GSK－3β蛋白质的鉴定及其使用方法

专利名称：GSK－3β蛋白质的鉴定及其使用方法
技术领域：
本发明涉及人糖原合成酶激酶3(GSK3)的三维结构，GSK3构建体的结晶，形成GSK3构建体的结晶的方法，确定GSK3构建体的晶体结构的方法，和使用GSK3三维结构鉴定用于治疗各种由GSK3活性介导的病况的可能治疗性化合物的方法。
背景技术：
糖原合成酶激酶3(GSK3)是丝氨酸/苏氨酸激酶，对其已鉴别出了两种同工型α和β。Woodgett，Trends Biochem.Sci.，16177-81(1991)。两种GSK3同工型在静息细胞中都具有组成型活性。GSK最初被鉴定为通过直接磷酸化抑制糖原合成酶的激酶。在胰岛素活化后，GSK3被灭活，从而使糖原合成酶活化，和可能其它胰岛素依赖性的事件，如葡萄糖运输。后来，已显示其它生长因子，如胰岛素、通过受体酪氨酸激酶(RTK)的信号也灭活GSK3活性。这些信号分子包括IGF-1和EGF。Saito等，Biochem.J.，30327-31(1994)；Welsh等，Biochem.J.，294625-29(1993)；和Cross等，Biochem.J.，30321-26(1994)。
抑制GSK3活性的药剂在治疗由GSK活性介导的疾病中是有用的。另外，GSK3的抑制模仿生长因子信号途径的活化，因此GSK3抑制剂对治疗这些信号途径活性不足的疾病是有用的。可用GSK3抑制剂治疗的疾病的例子包括糖尿病、阿尔茨海默氏病、中枢神经系统紊乱(例如双极情感障碍)和免疫能力相关的病况等。
由于GSK3抑制剂用于治疗许多疾病，非常需要鉴定新的GSK3抑制剂。本发明提供了一种鉴定用于治疗GSK3活性介导的各种病况的可能治疗性化合物的方法。本发明的方法利用GSK3构建体的三维结构，它含有蛋白质的催化性结构域，用于鉴定可能的治疗性化合物，以优化前导治疗化合物的结构。
发明简述本发明提供了人糖原合成酶激酶3(GSK3)构建体的三维结构。
在一个方面，本发明提供了含有蛋白质催化性激酶结构域的人糖原合成酶激酶3-β(GSK3-β)的构建体的结晶。
在本发明的另一个方面，提供了一种使蛋白质构建体结晶，得到足够用于结构测定的GSK3结晶的方法。
在另一个方面，提供了GSK3构建体的三维结构。
在另一个方面，提供了一种用GSK3构建体的三维结构，鉴定用于治疗GSK3活性介导的各种病况的可能治疗性化合物的方法。
附图简述本发明的上述方面和其它许多优点根据下面的详述，联合所附附图将变得更清楚，其中

图1说明了GSK3-β构建体的结构；图2说明了GSK3-构建体活性位点的结构；图3是流程图，说明本发明用GSK3-β构建体的三维结构鉴定介导GSK3-β活性的可能治疗性化合物的代表性方法；和图4是流程图，说明本发明用GSK3-β构建体的三维结构鉴定介导GSK3-β活性的可能治疗性化合物的代表性方法。
优选例的详述根据本发明，提供了含有蛋白质催化性激酶结构域的人糖原合成酶激酶3-β(GSK3-β)的蛋白质构建体的结晶，使蛋白质构建体结晶、蛋白质构建体的三维结构的反复，用三维结构鉴定用于治疗GSK3-β活性介导的各种病况的可能治疗性化合物的方法。
GSK3-β蛋白质构建体表达、纯化和结晶在一个方面，本发明提供了一种组合物，它含有GSK3-β构建体，该构建体含有蛋白质的催化性激酶结构域。该构建体含有人GSK3-β的至少37-384个残基，在蛋白质C末端缺少36个氨基酸。该组成是一种结晶形式，足够用X光衍射研究确定结构。
应理解除了本文中所述的构建体，其它GSK3蛋白质构建体，例如活性突变体或其变体，也可提供用于鉴定治疗GSK3活性介导的各种病况的可能治疗性化合物的三维结构信息。
构建体序列构建体序列SEQ ID NO1如下。星号表示结晶结构中所见的第一个残基。下列构建体和其它有用的构建体及其制备公开于共同申请的美国专利申请系列号60/221,242，2000年7月27日提交，其中的公开内容在此完整引入以供所有目的的参考。
N-末端MEYMPMEGGGGSK*VTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIC末端(SEQ ID NO1)构建体纯化从被携带GSK3-β580 cDNA构建体的杆状病毒感染的SF-9细胞中抽提GSK3-β蛋白构建体。用S-Fractogel，Phenyl-650M和Glu-标记亲和层析纯化GSK3-β蛋白构建体至接近均质。然后浓缩纯化的蛋白质用于结晶。如实施例1所述纯化构建体。
构建体结晶从GSK3构建体溶液中通过悬滴技术可形成蛋白质结晶。实施例2描述了形成适用于结构测定的GSK3构建体结晶的代表性方法。
应理解包括例如微粒结晶法的各种结晶方法可用于获得三维结构信息，这些信息用于鉴定用于治疗GSK3活性介导的各种病况的可能治疗性化合物。
GSK3-β蛋白质构建体结构在本发明的另一个方面，提供了GSK3蛋白质构建体的三维结构。用氨基酸序列数据和X光衍射产生的原子坐标确定构建体的三维结构。从联合X-光衍射和相数据产生的电子密度图计算构建体的原子坐标。
使用适合结构测定的能得到结晶形式的GSK3构建体，可用各种技术获得晶体结构。在一种代表性方法中，用X光图像板装置获得衍射图像。然后联合分子替换和交叉结晶平均技术，获得相数据。然后构建电子密度图，解析结构并构建分子。精制(refine)得到的结构，确认结构。最终结果是GSK3构建体的原子模型。实施例3描述了获得GSK3晶体结构的代表性方法。
应理解可用各种方法分辨GSK3结构。
在表1中总结了收集晶体学数据的统计法表1结构分辨的数据和模型统计法


表2提供了作为原子坐标表格的GSK3-β构建体的三维结构。在表中，“OH2”和“GOL”指结构水和甘油分子，“TER”指肽链的末端。
表2 GSK3-β构建体原子坐标原子1 CB VAL A 3780.033 24.831 -19.608 1.00 50.57原子2 CG1 VAL A 3781.501 25.233 -19.582 1.00 50.37原子3 CG2 VAL A 3779.466 24.947 -21.017 1.00 51.61原子4 C VAL A 3780.398 23.336 -17.638 1.00 50.20原子5 O VAL A 3779.972 24.095 -16.767 1.00 51.05原子6 N VAL A 3778.411 22.987 -19.067 1.00 49.79原子7 CA VAL A 3779.846 23.399 -19.056 1.00 50.62原子8 N THR A 3881.331 22.418 -17.401 1.00 49.02原子9 CA THR A 3881.900 22.262 -16.068 1.00 48.04原子10 CB THR A 3881.970 20.789 -15.652 1.00 48.38原子11 OG1 THR A 3883.312 20.328 -15.604 1.00 49.77原子12 CG2 THR A 3881.167 19.848 -16.525 1.00 47.77原子13 C THR A 3883.262 22.918 -15.914 1.00 47.01原子14 O THR A 3884.143 22.760 -16.755 1.00 48.09原子15 N THR A 3983.436 23.626 -14.806 1.00 45.08原子16 CA THR A 3984.701 24.275 -14.508 1.00 42.86原子17 CB THR A 3984.538 25.790 -14.267 1.00 43.86原子18 OG1 THR A 3984.623 26.130 -12.895 1.00 44.44原子19 CG2 THR A 3983.258 26.382 -14.821 1.00 43.65原子20 C THR A 3985.395 23.571 -13.338 1.00 40.74原子21 O THR A 3984.759 23.220 -12.334 1.00 40.93原子22 N VAL A 4086.694 23.349 -13.485 1.00 38.40原子23 CA VAL A 4087.483 22.679 -12.464 1.00 35.30原子24 CB VAL A 4088.180 21.427 -13.027 1.00 34.48原子25 CG1 VAL A 4089.077 20.788 -11.983 1.00 34.49原子26 CG2 VAL A 4087.142 20.429 -13.516 1.00 34.61原子27 C VAL A 4088.513 23.636 -11.873 1.00 34.74原子28 O VAL A 4089.329 24.220 -12.601 1.00 33.31原子29 N VAL A 4188.454 23.806 -10.543 1.00 33.24原子30 CA VAL A 4189.362 24.707 -9.838 1.00 30.39原子31 CB VAL A 4188.589 25.899 -9.223 1.00 31.41原子32 CG1 VAL A 4187.840 26.681 -10.294 1.00 28.06原子33 CG2 VAL A 4187.632 25.422 -8.136 1.00 29.89原子34 C VAL A 4190.122 23.990 -8.723 1.00 29.47原子35 O VAL A 4189.751 22.891 -8.311 1.00 28.80
原子36 N ALA A 4291.167 24.638 -8.219 1.00 28.13原子37 CA ALA A 4291.960 24.092 -7.119 1.00 29.60原子38 CB ALA A 4293.450 24.229 -7.400 1.00 28.11原子39 C ALA A 4291.581 24.837 -5.835 1.00 29.66原子40 O ALA A 4291.963 25.990 -5.648 1.00 28.27原子41 N THR A 4390.789 24.196 -4.981 1.00 30.99原子42 CA THR A 4390.337 24.849 -3.762 1.00 34.40原子43 CB THR A 4388.911 25.332 -3.955 1.00 36.00原子44 OG1 THR A 4388.371 25.782 -2.727 1.00 43.97原子45 CG2 THR A 4387.985 24.275 -4.510 1.00 37.41原子46 C THR A 4390.408 23.974 -2.506 1.00 33.11原子47 O THR A 4390.083 22.791 -2.538 1.00 33.54原子48 N PRO A 4490.826 24.572 -1.375 1.00 32.56原子49 CD PRO A 4491.239 25.963 -1.245 1.00 35.07原子50 CA PRO A 4490.930 23.899 -0.087 1.00 33.94原子51 CB PRO A 4492.056 24.682 0.621 1.00 33.35原子52 CG PRO A 4492.363 25.860 -0.251 1.00 33.23原子53 C PRO A 4489.646 24.069 0.709 1.00 32.73原子54 O PRO A 4488.967 25.089 0.591 1.00 31.50原子55 N GLY A 4589.324 23.087 1.532 1.00 35.79原子56 CA GLY A 4588.123 23.201 2.342 1.00 39.32原子57 C GLY A 4588.377 24.052 3.576 1.00 41.20原子58 O GLY A 4589.460 24.624 3.724 1.00 38.49原子59 N GLN A 4687.399 24.114 4.483 1.00 46.21原子60 CA GLN A 4687.570 24.868 5.729 1.00 48.58原子61 CB GLN A 4686.280 25.586 6.143 1.00 50.56原子62 CG GLN A 4685.157 24.661 6.612 1.00 53.97原子63 CD GLN A 4684.699 24.926 8.044 1.00 54.45原子64 OE1 GLN A 4685.143 25.874 8.699 1.00 54.99原子65 NE2 GLN A 4683.801 24.083 8.535 1.00 54.65原子66 C GLN A 4688.035 23.908 6.822 1.00 49.85原子67 O GLN A 4687.531 23.929 7.948 1.00 50.43原子68 N GLY A 4788.992 23.042 6.465 1.00 50.37原子69 CA GLY A 4789.492 22.066 7.410 1.00 51.27原子70 C GLY A 4791.005 21.903 7.413 1.00 51.26原子71 O GLY A 4791.731 22.809 7.831 1.00 51.04原子72 N PRO A 4891.504 20.724 6.987 1.00 51.25原子73 CD PRO A 4 8 90.694 19.579 6.520 1.00 52.23原子74 CA PRO A 4892.939 20.413 6.984 1.00 51.17原子75 CB PRO A 4892.949 18.883 6.954 1.00 51.98原子76 CG PRO A 4891.722 18.526 6.185 1.00 52.45原子77 C PRO A 4893.703 20.964 5.785 1.00 50.33原子78 O PRO A 4894.648 20.331 5.310 1.00 51.68原子79 N ASP A 4993.312 22.141 5.305 1.00 48.80原子80 CA ASP A 4993.991 22.755 4.165 1.00 48.33原子81 CB ASP A 4995.381 23.259 4.595 1.00 48.73原子82 CG ASP A 4995.853 24.465 3.805 1.00 49.64原子83 OD1 ASP A 4996.434 24.267 2.722 1.00 51.08原子84 OD2 ASP A 4995.649 25.606 4.272 1.00 49.48原子85 C ASP A 4994.069 21.761 2.984 1.00 46.42原子86 O ASP A 4993.071 21.119 2.667 1.00 47.58原子87 N ARG A 5095.245 21.636 2.353 1.00 43.75原子88 CA ARG A 5095.458 20.721 1.214 1.00 40.37原子89 CB ARG A 5095.508 19.239 1.659 1.00 41.78
原子90 CG ARG A 5094.176 18.621 2.058 1.00 44.71原子91 CD ARG A 5093.970 17.261 1.398 1.00 47.92原子92 NE ARG A 5093.230 16.337 2.265 1.00 51.36原子93 CZ ARG A 5091.918 16.436 2.519 1.00 52.40原子94 NH1 ARG A 5091.181 17.377 1.923 1.00 53.58原子95 NH2 ARG A 5091.343 15.589 3.368 1.00 52.49原子96 C ARG A 5094.437 20.938 0.092 1.00 36.07原子97 O ARG A 5093.374 20.329 0.054 1.00 34.88原子98 N PRO A 5194.760 21.823 -0.848 1.00 33.81原子99 CD PRO A 5196.002 22.606 -0.891 1.00 34.21原子100 CA PRO A 5193.879 22.123 -1.975 1.00 32.21原子101 CB PRO A 5194.686 23.116 -2.814 1.00 31.98原子102 CG PRO A 5195.678 23.697 -1.870 1.00 32.93原子103 C PRO A 5193.569 20.878 -2.797 1.00 30.79原子104 O PRO A 5194.436 20.049 -3.040 1.00 32.41原子105 N GLN A 5292.327 20.768 -3.227 1.00 31.01原子106 CA GLN A 5291.882 19.649 -4.038 1.00 31.10原子107 CB GLN A 5291.036 18.656 -3.228 1.00 30.92原子108 CG GLN A 5289.656 19.164 -2.825 1.00 34.68原子109 CD GLN A 5289.132 18.495 -1.556 1.00 37.20原子110 OE1 GLN A 5288.074 17.858 -1.561 1.00 38.16原子111 NE2 GLN A 5289.874 18.637 -0.461 1.00 37.13原子112 C GLN A 5291.108 20.158 -5.251 1.00 30.15原子113 O GLN A 5290.525 21.245 -5.221 1.00 29.33原子114 N GLU A 5391.099 19.367 -6.312 1.00 30.79原子115 CA GLU A 5390.383 19.740 -7.518 1.00 30.71原子116 CB GLU A 5390.837 18.877 -8.694 1.00 31.87原子117 CG GLU A 5391.680 19.628 -9.717 1.00 33.95原子118 CD GLU A 5392.675 18.733 -10.440 1.00 35.69原子119 OE1 GLU A 5393.828 19.181 -10.661 1.00 35.06原子120 OE2 GLU A 5392.304 17.584 -10.781 1.00 35.68原子121 C GLU A 5388.880 19.615 -7.291 1.00 29.25原子122 O GLU A 5388.400 18.567 -6.846 1.00 30.67原子123 N VAL A 5488.148 20.697 -7.578 1.00 28.00原子124 CA VAL A 5486.695 20.739 -7.398 1.00 27.10原子125 CB VAL A 5486.281 21.745 -6.292 1.00 26.17原子126 CG1 VAL A 5484.771 21.910 -6.253 1.00 23.81原子127 CG2 VAL A 5486.805 21.294 -4.937 1.00 22.59原子128 C VAL A 5486.001 21.113 -8.705 1.00 27.97原子129 O VAL A 5486.364 22.089 -9.359 1.00 28.40原子130 N SER A 5585.009 20.324 -9.082 1.00 27.75原子131 CA SER A 5584.281 20.564 -10.317 1.00 29.06原子132 CB SER A 5584.321 19.317 -11.212 1.00 27.82原子133 OG SER A 5585.649 18.850 -11.348 1.00 29.80原子134 C SER A 5582.845 20.965 -10.063 1.00 28.17原子135 O SER A 5582.125 20.291 -9.322 1.00 28.82原子136 N TYR A 5682.434 22.052 -10.710 1.00 28.14原子137 CA TYR A 5681.073 22.558 -10.607 1.00 29.61原子138 CB TYR A 5680.969 23.720 -9.605 1.00 27.30原子139 CG TYR A 5681.822 24.941 -9.904 1.00 25.16原子140 CD1 TYR A 5683.132 25.026 -9.443 1.00 25.56原子141 CE1 TYR A 5683.905 26.154 -9.682 1.00 26.15原子142 CD2 TYR A 5681.308 26.021 -10.612 1.00 23.48原子143 CE2 TYR A 5682.073 27.149 -10.859 1.00 23.57
原子144 CZ TYR A 5683.370 27.210 -10.391 1.00 24.23原子145 OH TYR A 5684.140 28.328 -10.636 1.00 27.89原子146 C TYR A 5680.562 22.994 -11.972 1.00 31.23原子147 O TYR A 5681.354 23.278 -12.878 1.00 30.17原子148 N THR A 5779.243 23.057 -12.107 1.00 33.31原子149 CA THR A 5778.620 23.476 -13.356 1.00 35.43原子150 CB THR A 5778.412 22.276 -14.296 1.00 35.27原子151 OG1 THR A 5777.984 22.698 -15.583 1.00 37.54原子152 CG2 THR A 5777.433 21.244 -13.785 1.00 33.54原子153 C THR A 5777.310 24.215 -13.087 1.00 36.61原子154 O THR A 5776.936 24.426 -11.929 1.00 36.38原子155 N ASP A 5876.619 24.603 -14.163 1.00 36.33原子156 CA ASP A 5875.347 25.315 -14.064 1.00 36.49原子157 CB ASP A 5874.297 24.467 -13.332 1.00 39.46原子158 CG ASP A 5873.794 23.286 -14.157 1.00 41.91原子159 OD1 ASP A 5873.025 22.461 -13.607 1.00 42.29原子160 OD2 ASP A 5874.166 23.182 -15.352 1.00 44.17原子161 C ASP A 5875.513 26.673 -13.391 1.00 35.84原子162 O ASP A 5874.643 27.125 -12.655 1.00 34.21原子163 N THR A 5976.639 27.312 -13.665 1.00 35.88原子164 CA THR A 5976.965 28.615 -13.114 1.00 37.28原子165 CB THR A 5978.403 28.955 -13.476 1.00 36.95原子166 OG1 THR A 5979.257 27.884 -13.110 1.00 37.20原子167 CG2 THR A 5978.930 30.221 -12.831 1.00 38.01原子168 C THR A 5976.009 29.703 -13.596 1.00 38.01原子169 O THR A 5975.641 29.736 -14.767 1.00 39.28原子170 N LYS A 6075.613 30.597 -12.674 1.00 37.94原子171 CA LYS A 6074.704 31.698 -13.000 1.00 36.62原子172 CB LYS A 6073.259 31.196 -13.139 1.00 37.83原子173 CG LYS A 6072.517 31.015 -11.822 1.00 38.44原子174 CD LYS A 6071.034 31.300 -11.975 1.00 38.40原子175 CE LYS A 6070.199 30.076 -11.645 1.00 39.94原子176 NZ LYS A 6068.909 30.441 -10.992 1.00 41.86原子177 C LYS A 6074.789 32.812 -11.957 1.00 36.32原子178 O LYS A 6074.913 32.543 -10.768 1.00 36.41原子179 N VAL A 6174.735 34.060 -12.421 1.00 34.99原子180 CA VAL A 6174.815 35.226 -11.555 1.00 33.46原子181 CB VAL A 6175.084 36.508 -12.368 1.00 34.41原子182 CG1 VAL A 6174.892 37.749 -11.503 1.00 34.88原子183 CG2 VAL A 6176.488 36.473 -12.970 1.00 33.02原子184 C VAL A 6173.536 35.386 -10.742 1.00 33.94原子185 O VAL A 6172.431 35.331 -11.295 1.00 31.92原子186 N ILE A 6273.692 35.554 -9.413 1.00 30.70原子187 CA ILE A 6272.534 35.686 -8.518 1.00 30.06原子188 CB ILE A 6272.322 34.424 -7.649 1.00 31.30原子189 CG2 ILE A 6271.972 33.218 -8.511 1.00 29.51原子190 CG1 ILE A 6273.554 34.141 -6.777 1.00 29.23原子191 CD1 ILE A 6273.268 33.219 -5.610 1.00 31.27原子192 C ILE A 6272.615 36.903 -7.602 1.00 28.13原子193 O ILE A 6271.629 37.255 -6.966 1.00 29.85原子194 N GLY A 6373.773 37.546 -7.539 1.00 26.58原子195 CA GLY A 6373.909 38.715 -6.696 1.00 26.14原子196 C GLY A 6375.217 39.436 -6.899 1.00 27.79原子197 O GLY A 6376.092 38.967 -7.627 1.00 29.41
原子198 N ASN A 6475.364 40.578 -6.249 1.00 27.39原子199 CA ASN A 6476.589 41.353 -6.362 1.00 28.10原子200 CB ASN A 6476.724 41.953 -7.779 1.00 28.83原子201 CG ASN A 6475.706 43.040 -8.063 1.00 29.90原子202 OD1 ASN A 6474.819 43.302 -7.253 1.00 32.34原子203 ND2 ASN A 6475.829 43.689 -9.220 1.00 31.39原子204 C ASN A 6476.656 42.451 -5.300 1.00 26.72原子205 O ASN A 6475.726 42.639 -4.527 1.00 27.02原子206 N GLY A 6577.759 43.177 -5.306 1.00 25.86原子207 CA GLY A 6577.975 44.267 -4.395 1.00 24.32原子208 C GLY A 6579.267 44.955 -4.715 1.00 24.77原子209 O GLY A 6579.871 44.661 -5.747 1.00 22.63原子210 N SER A 6679.714 45.861 -3.838 1.00 23.92原子211 CA SER A 6680.968 46.573 -4.069 1.00 23.93原子212 CB SER A 6681.127 47.755 -3.102 1.00 28.01原子213 OG SER A 6681.468 47.312 -1.792 1.00 33.78原子214 C SER A 6682.174 45.651 -4.006 1.00 21.75原子215 O SER A 6683.293 46.050 -4.340 1.00 23.12原子216 N PHE A 6781.948 44.419 -3.576 1.00 21.22原子217 CA PHE A 6783.019 43.426 -3.459 1.00 21.95原子218 CB PHE A 6782.635 42.390 -2.397 1.00 19.80原子219 CG PHE A 6781.371 41.638 -2.727 1.00 21.25原子220 CD1 PHE A 6780.178 41.958 -2.107 1.00 21.15原子221 CD2 PHE A 6781.375 40.618 -3.677 1.00 21.87原子222 CE1 PHE A 6779.014 41.285 -2.418 1.00 18.94原子223 CE2 PHE A 6780.217 39.940 -3.992 1.00 19.41原子224 CZ PHE A 6779.036 40.274 -3.361 1.00 21.96原子225 C PHE A 6783.241 42.684 -4.788 1.00 21.21原子226 O PHE A 6784.356 42.288 -5.117 1.00 21.27原子227 N GLY A 6882.154 42.459 -5.504 1.00 21.10原子228 CA GLY A 6882.218 41.729 -6.744 1.00 19.70原子229 C GLY A 6880.882 41.159 -7.110 1.00 17.87原子230 O GLY A 6879.899 41.874 -7.159 1.00 21.48原子231 N VAL A 6980.841 39.876 -7.410 1.00 19.22原子232 CA VAL A 6979.590 39.262 -7.845 1.00 18.99原子233 CB VAL A 6979.686 39.054 -9.385 1.00 20.73原子234 CG1 VAL A 6978.464 38.338 -9.938 1.00 19.08原子235 CG2 VAL A 6979.904 40.398 -10.058 1.00 20.67原子236 C VAL A 6979.371 37.914 -7.214 1.00 16.65原子237 O VAL A 6980.301 37.263 -6.861 1.00 17.62原子238 N VAL A 7078.144 37.477 -7.124 1.00 17.29原子239 CA VAL A 7077.877 36.162 -6.558 1.00 19.87原子240 CB VAL A 7076.944 36.225 -5.328 1.00 19.21原子241 CG1 VAL A 7076.827 34.839 -4.701 1.00 16.63原子242 CG2 VAL A 7077.469 37.240 -4.317 1.00 18.33原子243 C VAL A 7077.286 35.217 -7.591 1.00 21.82原子244 O VAL A 7076.320 35.551 -8.255 1.00 22.52原子245 N TYR A 7177.875 34.032 -7.705 1.00 25.04原子246 CA TYR A 7177.407 33.030 -8.657 1.00 28.92原子247 CB TYR A 7178.603 32.453 -9.446 1.00 29.97原子248 CG TYR A 7179.251 33.358 -10.469 1.00 33.56原子249 CD1 TYR A 7178.711 33.511 -11.742 1.00 35.58原子250 CE1 TYR A 7179.326 34.312 -12.693 1.00 36.15原子251 CD2 TYR A 7180.426 34.033 -10.173 1.00 34.86
原子252 CE2 TYR A 7181.045 34.843 -11.111 1.00 37.15原子253 CZ TYR A 7180.492 34.978 -12.372 1.00 37.44原子254 OH TYR A 7181.117 35.771 -13.313 1.00 39.50原子255 C TYR A 7176.746 31.838 -7.974 1.00 29.85原子256 O TYR A 7177.210 31.348 -6.942 1.00 29.76原子257 N GLN A 7275.736 31.294 -8.627 1.00 30.90原子258 CA GLN A 7275.121 30.075 -8.154 1.00 31.38原子259 CB GLN A 7273.616 30.050 -8.379 1.00 33.05原子260 CG GLN A 7272.915 28.963 -7.572 1.00 34.55原子261 CD GLN A 7271.721 28.374 -8.285 1.00 36.84原子262 OE1 GLN A 7271.837 27.379 -9.001 1.00 37.72原子263 NE2 GLN A 7270.558 28.988 -8.092 1.00 39.46原子264 C GLN A 7275.792 28.950 -8.931 1.00 32.33原子265 O GLN A 7276.249 29.163 -10.068 1.00 33.82原子266 N ALA A 7375.896 27.783 -8.332 1.00 31.53原子267 CA ALA A 7376.551 26.678 -8.998 1.00 31.65原子268 CB ALA A 7378.061 26.826 -8.914 1.00 31.06原子269 C ALA A 7376.127 25.346 -8.426 1.00 32.36原子270 O ALA A 7375.386 25.272 -7.447 1.00 31.34原子271 N LYS A 7476.618 24.295 -9.048 1.00 33.73原子272 CA LYS A 7476.324 22.956 -8.622 1.00 35.30原子273 CB LYS A 7475.177 22.372 -9.443 1.00 36.50原子274 CG LYS A 7474.794 20.960 -9.037 1.00 37.82原子275 CD LYS A 7473.610 20.453 -9.843 1.00 40.81原子276 CE LYS A 7474.036 19.415 -10.869 1.00 43.32原子277 NZ LYS A 7474.647 20.042 -12.078 1.00 46.77原子278 C LYS A 7477.559 22.098 -8.760 1.00 36.85原子279 O LYS A 7478.124 21.975 -9.855 1.00 37.48原子280 N LEU A 7577.973 21.496 -7.648 1.00 37.35原子281 CA LEU A 7579.131 20.622 -7.655 1.00 37.20原子282 CB LEU A 7579.586 20.322 -6.227 1.00 34.69原子283 CG LEU A 7579.445 21.467 -5.222 1.00 34.55原子284 CD1 LEU A 7579.241 20.922 -3.816 1.00 32.89原子285 CD2 LEU A 7580.659 22.386 -5.276 1.00 31.32原子286 C LEU A 7578.747 19.333 -8.370 1.00 39.29原子287 O LEU A 7577.626 18.845 -8.213 1.00 38.83原子288 N CYS A 7679.658 18.802 -9.174 1.00 41.06原子289 CA CYS A 7679.385 17.581 -9.928 1.00 43.45原子290 CB CYS A 7680.363 17.462 -11.094 1.00 42.71原子291 SG CYS A 7680.578 19.008 -12.012 1.00 42.33原子292 C CYS A 7679.442 16.345 -9.035 1.00 45.25原子293 O CYS A 7678.682 15.392 -9.218 1.00 46.06原子294 N ASP A 7780.348 16.377 -8.072 1.00 47.16原子295 CA ASP A 7780.549 15.284 -7.128 1.00 49.51原子296 CB ASP A 7781.638 15.664 -6.111 1.00 52.47原子297 CG ASP A 7781.672 17.160 -5.800 1.00 54.95原子298 OD1 ASP A 7780.869 17.607 -4.944 1.00 56.19原子299 OD2 ASP A 7782.499 17.885 -6.412 1.00 54.51原子300 C ASP A 7779.272 14.864 -6.392 1.00 49.21原子301 O ASP A 7778.893 13.693 -6.415 1.00 49.89原子302 N SER A 7878.646 15.813 -5.699 1.00 48.59原子303 CA SER A 7877.449 15.536 -4.899 1.00 47.33原子304 CB SER A 7877.650 16.084 -3.482 1.00 47.77原子305 OG SER A 7878.037 17.452 -3.515 1.00 46.19
原子306 C SER A 7876.170 16.125 -5.481 1.00 47.16原子307 O SER A 7875.074 15.833 -4.994 1.00 47.02原子308 N GLY A 7976.305 16.973 -6.496 1.00 46.01原子309 CA GLY A 7975.140 17.599 -7.084 1.00 43.58原子310 C GLY A 7974.578 18.689 -6.191 1.00 42.64原子311 O GLY A 7973.542 19.271 -6.495 1.00 42.66原子312 N GLU A 8075.265 18.955 -5.080 1.00 41.77原子313 CA GLU A 8074.845 19.969 -4.117 1.00 40.71原子314 CB GLU A 8075.661 19.856 -2.829 1.00 41.92原子315 CG GLU A 8075.323 18.632 -1.992 1.00 44.42原子316 CD GLU A 8076.091 18.588 -0.684 1.00 47.47原子317 OE1 GLU A 8077.297 18.258 -0.710 1.00 48.55原子318 OE2 GLU A 8075.488 18.896 0.372 1.00 49.38原子319 C GLU A 8074.945 21.378 -4.695 1.00 39.89原子320 O GLU A 8075.796 21.659 -5.541 1.00 40.04原子321 N LEU A 8174.055 22.253 -4.237 1.00 38.33原子322 CA LEU A 8174.010 23.632 -4.701 1.00 36.18原子323 CB LEU A 8172.566 24.127 -4.728 1.00 36.89原子324 CG LEU A 8171.763 23.803 -5.984 1.00 37.28原子325 CD1 LEU A 8171.712 22.303 -6.209 1.00 38.67原子326 CD2 LEU A 8170.360 24.379 -5.877 1.00 38.16原子327 C LEU A 8174.840 24.542 -3.812 1.00 34.75原子328 O LEU A 8174.720 24.506 -2.585 1.00 36.28原子329 N VAL A 8275.675 25.363 -4.434 1.00 31.15原子330 CA VAL A 8276.514 26.287 -3.694 1.00 28.31原子331 CB VAL A 8278.001 25.855 -3.667 1.00 29.78原子332 CG1 VAL A 8278.211 24.602 -2.825 1.00 29.34原子333 CG2 VAL A 8278.554 25.671 -5.081 1.00 30.69原子334 C VAL A 8276.450 27.678 -4.290 1.00 27.28原子335 O VAL A 8275.925 27.892 -5.400 1.00 25.63原子336 N ALA A 8377.030 28.607 -3.557 1.00 22.81原子337 CA ALA A 8377.127 29.975 -3.976 1.00 20.75原子338 CB ALA A 8376.304 30.895 -3.090 1.00 19.91原子339 C ALA A 8378.594 30.325 -3.953 1.00 20.33原子340 O ALA A 8379.320 29.867 -3.068 1.00 20.70原子341 N ILE A 8479.040 31.088 -4.944 1.00 19.79原子342 CA ILE A 8480.441 31.476 -5.066 1.00 19.64原子343 CB ILE A 8481.101 30.853 -6.331 1.00 19.52原子344 CG2 ILE A 8482.608 31.066 -6.319 1.00 16.65原子345 CG1 ILE A 8480.758 29.358 -6.423 1.00 16.97原子346 CD1 ILE A 8481.795 28.503 -7.134 1.00 21.03原子347 C ILE A 8480.538 32.992 -5.093 1.00 22.12原子348 O ILE A 8480.055 33.621 -6.031 1.00 22.68原子349 N LYS A 8581.111 33.562 -4.017 1.00 22.75原子350 CA LYS A 8581.224 35.008 -3.844 1.00 24.97原子351 CB LYS A 8581.564 35.333 -2.383 1.00 25.35原子352 CG LYS A 8581.822 36.803 -2.115 1.00 25.03原子353 CD LYS A 8580.620 37.460 -1.467 1.00 27.75原子354 CE LYS A 8580.832 37.658 0.027 1.00 28.19原子355 NZ LYS A 8581.048 39.089 0.363 1.00 29.61原子356 C LYS A 8582.218 35.695 -4.791 1.00 27.05原子357 O LYS A 8581.868 36.659 -5.418 1.00 30.22原子358 N LYS A 8683.445 35.243 -4.901 1.00 27.41原子359 CA LYS A 8684.405 35.914 -5.825 1.00 28.29
原子360 CB LYS A 8683.963 35.770 -7.294 1.00 27.88原子361 CG LYS A 8684.896 36.486 -8.266 1.00 29.66原子362 CD LYS A 8684.710 35.997 -9.700 1.00 30.66原子363 CE LYS A 8685.545 36.801 -10.683 1.00 31.77原子364 NZ LYS A 8685.528 36.200 -12.056 1.00 33.13原子365 C LYS A 8684.583 37.403 -5.528 1.00 25.91原子366 O LYS A 8683.726 38.224 -5.827 1.00 25.06原子367 N VAL A 8785.710 37.753 -4.960 1.00 26.67原子368 CA VAL A 8785.975 39.138 -4.643 1.00 28.24原子369 CB VAL A 8785.798 39.421 -3.124 1.00 29.12原子370 CG1 VAL A 8784.605 38.644 -2.574 1.00 27.52原子371 CG2 VAL A 8787.060 39.068 -2.347 1.00 29.13原子372 C VAL A 8787.368 39.530 -5.085 1.00 29.97原子373 O VAL A 8788.314 38.771 -4.931 1.00 29.26原子374 N LEU A 8887.484 40.724 -5.627 1.00 33.85原子375 CA LEU A 8888.764 41.230 -6.077 1.00 37.36原子376 CB LEU A 8888.559 42.551 -6.820 1.00 36.76原子377 CG LEU A 8889.821 43.234 -7.336 1.00 37.85原子378 CD1 LEU A 8890.512 42.365 -8.371 1.00 37.97原子379 CD2 LEU A 8889.490 44.606 -7.899 1.00 37.34原子380 C LEU A 8889.664 41.417 -4.863 1.00 40.30原子381 O LEU A 8889.382 42.246 -3.994 1.00 40.89原子382 N GLN A 8990.717 40.606 -4.784 1.00 43.74原子383 CA GLN A 8991.636 40.638 -3.653 1.00 46.09原子384 CB GLN A 8991.929 39.211 -3.181 1.00 45.39原子385 CG GLN A 8991.367 38.863 -1.809 1.00 46.90原子386 CD GLN A 8991.570 39.957 -0.778 1.00 46.72原子387 OE1 GLN A 8990.604 40.507 -0.250 1.00 47.40原子388 NE2 GLN A 8992.828 40.277 -0.484 1.00 47.16原子389 C GLN A 8992.949 41.333 -3.983 1.00 47.93原子390 O GLN A 8993.489 41.181 -5.082 1.00 49.02原子391 N ASP A 9093.474 42.061 -2.996 1.00 49.68原子392 CA ASP A 9094.747 42.759 -3.116 1.00 51.13原子393 CB ASP A 9094.751 43.989 -2.193 1.00 51.29原子394 CG ASP A 9095.927 44.936 -2.407 1.00 50.48原子395 OD1 ASP A 9097.031 44.464 -2.756 1.00 50.57原子396 OD2 ASP A 9095.743 46.157 -2.211 1.00 50.42原子397 C ASP A 9095.878 41.807 -2.718 1.00 53.33原子398 O ASP A 9095.963 41.394 -1.555 1.00 53.28原子399 N LYS A 9196.729 41.446 -3.691 1.00 54.33原子400 CA LYS A 9197.850 40.525 -3.443 1.00 55.74原子401 CB LYS A 9198.910 40.577 -4.565 1.00 56.05原子402 CG LYS A 9198.677 41.643 -5.628 1.00 56.67原子403 CD LYS A 9199.989 42.181 -6.181 1.00 56.82原子404 CE LYS A 9199.975 43.703 -6.266 1.00 56.25原子405 NZ LYS A 91101.277 44.307 -5.849 1.00 55.53原子406 C LYS A 9198.519 40.811 -2.097 1.00 56.53原子407 O LYS A 9198.699 41.971 -1.713 1.00 56.04原子408 N ARG A 9298.870 39.734 -1.389 1.00 57.95原子409 CA ARG A 9299.509 39.812 -0.070 1.00 59.85原子410 CB ARG A 92101.031 39.971 -0.194 1.00 61.28原子411 CG ARG A 92101.765 39.884 1.149 1.00 63.11原子412 CD ARG A 92101.170 38.809 2.066 1.00 64.33原子413 NE ARG A 92101.534 37.450 1.636 1.00 65.78
原子414 CZ ARG A 92102.171 36.5432.403 1.00 66.33原子415 NH1 ARG A 92102.468 36.8053.681 1.00 65.70原子416 NH2 ARG A 92102.504 35.3591.886 1.00 66.03原子417 C ARG A 9298.920 40.9360.787 1.00 59.66原子418 O ARG A 9299.505 42.0150.933 1.00 60.23原子419 N PHE A 9397.761 40.6551.359 1.00 59.03原子420 CA PHE A 9397.053 41.5892.223 1.00 57.37原子421 CB PHE A 9396.307 42.6491.414 1.00 58.54原子422 CG PHE A 9396.818 44.0501.630 1.00 59.76原子423 CD1 PHE A 9398.128 44.2762.024 1.00 59.99原子424 CD2 PHE A 9395.989 45.1411.436 1.00 59.95原子425 CE1 PHE A 9398.600 45.5592.219 1.00 60.16原子426 CE2 PHE A 9396.454 46.4271.630 1.00 60.63原子427 CZ PHE A 9397.762 46.6372.021 1.00 60.34原子428 C PHE A 9396.105 40.8303.141 1.00 55.64原子429 O PHE A 9395.906 41.2374.294 1.00 57.05原子430 N LYS A 9495.528 39.7032.659 1.00 52.25原子431 CA LYS A 9494.726 38.7993.520 1.00 48.57原子432 CB LYS A 9495.291 38.7774.945 1.00 49.85原子433 CG LYS A 9496.746 38.3485.024 1.00 50.64原子434 CD LYS A 9496.932 37.1265.901 1.00 52.78原子435 CE LYS A 9497.476 35.9495.095 1.00 53.32原子436 NZ LYS A 9498.246 35.0075.950 1.00 55.33原子437 C LYS A 9493.225 39.1653.655 1.00 44.61原子438 O LYS A 9492.892 40.1774.271 1.00 45.08原子439 N ASN A 9592.349 38.3873.103 1.00 40.22原子440 CA ASN A 9590.951 38.6743.184 1.00 36.27原子441 CB ASN A 9590.209 37.7842.208 1.00 32.62原子442 CG ASN A 9588.768 38.1901.998 1.00 32.71原子443 OD1 ASN A 9587.870 37.7312.709 1.00 32.10原子444 ND2 ASN A 9588.531 39.0511.011 1.00 33.84原子445 C ASN A 9590.380 38.5594.600 1.00 33.71原子446 O ASN A 9590.540 37.5185.237 1.00 32.21原子447 N ARG A 9689.731 39.6185.080 1.00 31.07原子448 CA ARG A 9689.146 39.6346.408 1.00 28.30原子449 CB ARG A 9688.612 41.0346.729 1.00 28.81原子450 CG ARG A 9688.371 41.2858.216 1.00 27.99原子451 CD ARG A 9689.015 42.5828.681 1.00 28.70原子452 NE ARG A 9688.085 43.7048.620 1.00 28.92原子453 CZ ARG A 9688.421 44.9708.882 1.00 29.89原子454 NH1 ARG A 9689.652 45.2809.267 1.00 33.01原子455 NH2 ARG A 9687.521 45.9308.775 1.00 31.42原子456 C ARG A 9688.031 38.6156.512 1.00 28.03原子457 O ARG A 9687.986 37.8167.459 1.00 28.68原子458 N GLU A 9787.124 38.6445.534 1.00 25.77原子459 CA GLU A 9785.994 37.7305.507 1.00 22.33原子460 CB GLU A 9785.089 38.0354.313 1.00 24.09原子461 CG GLU A 9783.803 37.2144.227 1.00 21.86原子462 CD GLU A 9782.859 37.7243.140 1.00 21.24原子463 OE1 GLU A 9781.665 37.3423.150 1.00 19.24原子464 OE2 GLU A 9783.314 38.5142.284 1.00 21.60原子465 C GLU A 9786.425 36.2715.528 1.00 21.90原子466 O GLU A 9785.815 35.4516.219 1.00 24.32原子467 N LEU A 9887.469 35.9394.773 1.00 20.92
原子468 CA LEU A 9887.959 34.559 4.710 1.00 20.46原子469 CB LEU A 9889.002 34.374 3.610 1.00 17.45原子470 CG LEU A 9889.629 32.987 3.552 1.00 15.40原子471 CD1 LEU A 9888.569 31.936 3.258 1.00 14.25原子472 CD2 LEU A 9890.749 32.941 2.521 1.00 20.54原子473 CLEU A 9888.532 34.070 6.043 1.00 20.25原子474 OLEU A 9888.311 32.923 6.428 1.00 17.48原子475 NGLN A 9989.280 34.937 6.719 1.00 21.83原子476 CA GLN A 9989.890 34.584 7.996 1.00 25.86原子477 CB GLN A 9990.957 35.602 8.415 1.00 28.40原子478 CG GLN A 9992.051 35.830 7.369 1.00 34.01原子479 CD GLN A 9992.960 34.619 7.138 1.00 38.37原子480 OE1 GLN A 9994.019 34.487 7.763 1.00 40.68原子481 NE2 GLN A 9992.562 33.738 6.219 1.00 39.28原子482 CGLN A 9988.826 34.362 9.079 1.00 23.77原子483 OGLN A 9988.952 33.458 9.892 1.00 26.29原子484 NILE A 10087.753 35.154 9.036 1.00 24.72原子485 CA ILE A 10086.634 35.019 9.972 1.00 22.35原子486 CB ILE A 10085.700 36.249 9.914 1.00 18.73原子487 CG2 ILE A 10084.337 35.943 10.530 1.00 17.79原子488 CG1 ILE A 10086.352 37.446 10.607 1.00 17.16原子489 CD1 ILE A 10085.569 38.738 10.478 1.00 18.68原子490 CILE A 10085.820 33.758 9.676 1.00 25.52原子491 OILE A 10085.448 33.023 10.596 1.00 26.11原子492 NMET A 10185.533 33.523 8.383 1.00 25.86原子493 CA MET A 10184.746 32.368 7.930 1.00 25.27原子494 CB MET A 10184.471 32.467 6.426 1.00 29.17原子495 CG MET A 10183.524 33.583 6.040 1.00 27.98原子496 SD MET A 10181.810 33.114 6.260 1.00 36.43原子497 CE MET A 10181.013 34.091 4.977 1.00 35.05原子498 CMET A 10185.404 31.024 8.243 1.00 25.14原子499 OMET A 10184.729 30.062 8.618 1.00 25.95原子500 NARG A 10286.713 30.954 8.080 1.00 25.37原子501 CA ARG A 10287.454 29.725 8.346 1.00 27.16原子502 CB ARG A 10288.897 29.893 7.896 1.00 27.85原子503 CG ARG A 10289.101 29.711 6.405 1.00 31.76原子504 CD ARG A 10290.344 28.885 6.123 1.00 30.40原子505 NE ARG A 10291.474 29.723 5.762 1.00 32.24原子506 CZ ARG A 10292.682 29.251 5.484 1.00 31.50原子507 NH1 ARG A 10292.924 27.946 5.561 1.00 33.59原子508 NH2 ARG A 10293.653 30.085 5.129 1.00 33.23原子509 CARG A 10287.418 29.321 9.842 1.00 27.31原子510 OARG A 10287.675 28.167 10.172 1.00 27.37原子511 NLYS A 10387.108 30.267 10.735 1.00 27.43原子512 CA LYS A 10387.057 29.982 12.171 1.00 28.05原子513 CB LYS A 10387.529 31.193 12.978 1.00 28.46原子514 CG LYS A 10388.957 31.618 12.690 1.00 28.79原子515 CD LYS A 10389.201 33.055 13.123 1.00 33.11原子516 CE LYS A 10388.674 33.318 14.527 1.00 34.14原子517 NZ LYS A 10389.068 34.665 15.016 1.00 35.09原子518 CLYS A 10385.656 29.608 12.647 1.00 26.90原子519 OLYS A 10385.500 29.105 13.761 1.00 27.60原子520 NLEU A 10484.645 29.882 11.832 1.00 24.89原子521 CA LEU A 10483.270 29.602 12.209 1.00 24.18
原子522 CB LEU A 10482.322 30.650 11.619 1.00 24.18原子523 CG LEU A 10482.703 32.114 11.872 1.00 24.11原子524 CD1 LEU A 10481.625 33.052 11.347 1.00 21.41原子525 CD2 LEU A 10482.958 32.354 13.359 1.00 23.00原子526 C LEU A 10482.804 28.201 11.838 1.00 26.40原子527 O LEU A 10483.179 27.653 10.789 1.00 26.85原子528 N ASP A 10581.947 27.648 12.705 1.00 23.78原子529 CA ASP A 10581.353 26.331 12.533 1.00 22.44原子530 CB ASP A 10582.361 25.215 12.822 1.00 23.57原子531 CG ASP A 10581.780 23.820 12.627 1.00 23.62原子532 OD1 ASP A 10580.616 23.699 12.193 1.00 28.28原子533 OD2 ASP A 10582.487 22.847 12.911 1.00 28.66原子534 C ASP A 10580.127 26.195 13.426 1.00 23.03原子535 O ASP A 10580.180 25.590 14.497 1.00 24.10原子536 N HIS A 10679.030 26.779 12.981 1.00 23.13原子537 CA HIS A 10677.786 26.763 13.712 1.00 22.25原子538 CB HIS A 10677.570 28.132 14.339 1.00 23.75原子539 CG HIS A 10676.513 28.159 15.391 1.00 24.95原子540 CD2 HIS A 10676.590 27.976 16.734 1.00 25.19原子541 ND1 HIS A 10675.194 28.434 15.118 1.00 25.11原子542 CE1 HIS A 10674.500 28.427 16.245 1.00 27.00原子543 NE2 HIS A 10675.326 28.151 17.238 1.00 23.85原子544 C HIS A 10676.613 26.415 12.801 1.00 24.48原子545 O HIS A 10676.613 26.757 11.616 1.00 25.58原子546 N CYS A 10775.617 25.729 13.367 1.00 24.64原子547 CA CYS A 10774.425 25.300 12.644 1.00 25.69原子548 CB CYS A 10773.612 24.293 13.478 1.00 28.55原子549 SG CYS A 10772.821 24.992 14.957 1.00 36.02原子550 C CYS A 10773.538 26.451 12.181 1.00 24.85原子551 O CYS A 10772.648 26.245 11.355 1.00 24.42原子552 N ASN A 10873.773 27.658 12.705 1.00 23.50原子553 CA ASN A 10872.974 28.824 12.316 1.00 21.14原子554 CB ASN A 10872.246 29.457 13.506 1.00 23.02原子555 CG ASN A 10871.268 28.512 14.168 1.00 23.46原子556 OD1 ASN A 10871.408 28.178 15.358 1.00 25.29原子557 ND2 ASN A 10870.274 28.073 13.414 1.00 22.20原子558 C ASN A 10873.807 29.861 11.571 1.00 18.73原子559 O ASN A 10873.453 31.030 11.521 1.00 18.69原子560 N ILE A 10974.898 29.410 10.971 1.00 20.13原子561 CA ILE A 10975.785 30.267 10.184 1.00 20.40原子562 CB ILE A 10977.101 30.556 10.918 1.00 20.32原子563 CG2 ILE A 10978.010 31.422 10.052 1.00 18.74原子564 CG1 ILE A 10976.842 31.217 12.291 1.00 19.54原子565 CD1 ILE A 10978.073 31.857 12.894 1.00 15.97原子566 C ILE A 10976.119 29.566 8.858 1.00 21.15原子567 O ILE A 10976.427 28.366 8.853 1.00 20.11原子568 N VAL A 11076.056 30.305 7.733 1.00 21.78原子569 CA VAL A 11076.366 29.707 6.412 1.00 21.66原子570 CB VAL A 11076.168 30.692 5.227 1.00 22.90原子571 CG1 VAL A 11077.375 31.600 5.048 1.00 22.85原子572 CG2 VAL A 11075.891 29.918 3.949 1.00 26.40原子573 C VAL A 11077.773 29.149 6.401 1.00 19.25原子574 O VAL A 11078.722 29.842 6.746 1.00 19.84原子575 N ARG A 11177.894 27.886 6.036 1.00 19.86
原子576 CA ARG A 11179.184 27.2076.015 1.00 21.87原子577 CB ARG A 11178.955 25.7026.024 1.00 24.97原子578 CG ARG A 11180.229 24.8886.100 1.00 29.38原子579 CD ARG A 11179.924 23.4016.091 1.00 34.23原子580 NE ARG A 11181.103 22.6045.751 1.00 37.78原子581 CZ ARG A 11181.057 21.4185.144 1.00 40.20原子582 NH1 ARG A 11179.890 20.8654.812 1.00 41.37原子583 NH2 ARG A 11182.190 20.7834.858 1.00 43.22原子584 C ARG A 11180.053 27.5644.797 1.00 23.84原子585 O ARG A 11179.553 27.7073.677 1.00 24.32原子586 N LEU A 11281.366 27.6465.044 1.00 22.96原子587 CA LEU A 11282.370 27.9184.031 1.00 22.62原子588 CB LEU A 11283.455 28.8484.578 1.00 20.55原子589 CG LEU A 11284.707 29.0533.717 1.00 22.70原子590 CD1 LEU A 11284.370 29.7782.415 1.00 23.13原子591 CD2 LEU A 11285.769 29.8144.495 1.00 21.66原子592 C LEU A 11282.962 26.5823.569 1.00 23.22原子593 O LEU A 11283.854 26.0144.207 1.00 22.92原子594 N ARG A 11382.416 26.0752.467 1.00 22.08原子595 CA ARG A 11382.833 24.7941.902 1.00 20.00原子596 CB ARG A 11381.864 24.3730.813 1.00 22.28原子597 CG ARG A 11380.425 24.4191.254 1.00 22.76原子598 CD ARG A 11379.947 23.0541.678 1.00 28.44原子599 NE ARG A 11378.566 22.8341.271 1.00 32.49原子600 CZ ARG A 11378.119 21.7240.683 1.00 33.10原子601 NH1 ARG A 11378.949 20.7230.386 1.00 33.75原子602 NH2 ARG A 11376.831 21.6210.392 1.00 35.17原子603 C ARG A 11384.231 24.8401.343 1.00 16.86原子604 O ARG A 11385.025 23.9381.578 1.00 15.68原子605 N TYR A 11484.527 25.8890.590 1.00 19.17原子606 CA TYR A 11485.845 26.044-0.014 1.00 16.95原子607 CB TYR A 11485.930 25.304-1.371 1.00 18.87原子608 CG TYR A 11485.644 23.829-1.394 1.00 15.79原子609 CD1 TYR A 11484.377 23.365-1.646 1.00 18.97原子610 CE1 TYR A 11484.114 22.014-1.686 1.00 20.84原子611 CD2 TYR A 11486.655 22.905-1.187 1.00 18.92原子612 CE2 TYR A 11486.404 21.558-1.224 1.00 18.34原子613 CZ TYR A 11485.133 21.119-1.474 1.00 21.38原子614 OH TYR A 11484.871 19.769-1.505 1.00 26.51原子615 C TYR A 11486.124 27.494-0.331 1.00 15.53原子616 O TYR A 11485.227 28.321-0.402 1.00 17.41原子617 N PHE A 11587.371 27.749-0.627 1.00 16.85原子618 CA PHE A 11587.826 29.043-1.072 1.00 20.16原子619 CB PHE A 11588.345 29.9340.064 1.00 18.14原子620 CG PHE A 11589.569 29.4360.771 1.00 18.65原子621 CD1 PHE A 11590.822 29.9140.432 1.00 19.77原子622 CD2 PHE A 11589.467 28.5121.798 1.00 20.84原子623 CE1 PHE A 11591.952 29.4751.101 1.00 22.37原子624 CE2 PHE A 11590.589 28.0702.465 1.00 19.43原子625 CZ PHE A 11591.832 28.5502.119 1.00 20.49原子626 C PHE A 11588.881 28.806-2.149 1.00 20.03原子627 O PHE A 11589.624 27.837-2.078 1.00 18.98原子628 N PHE A 11688.930 29.656-3.157 1.00 23.37原子629 CA PHE A 11689.909 29.462-4.232 1.00 22.44
原子630 CB PHE A 11689.464 28.335 -5.170 1.00 22.20原子631 CG PHE A 11688.290 28.662 -6.050 1.00 22.32原子632 CD1 PHE A 11688.483 29.271 -7.290 1.00 22.41原子633 CD2 PHE A 11687.007 28.335 -5.662 1.00 19.00原子634 CE1 PHE A 11687.412 29.547 -8.124 1.00 22.74原子635 CE2 PHE A 11685.929 28.609 -6.485 1.00 24.32原子636 CZ PHE A 11686.131 29.216 -7.726 1.00 21.99原子637 C PHE A 11690.167 30.739 -4.993 1.00 23.65原子638 O PHE A 11689.309 31.614 -5.067 1.00 23.70原子639 N TYR A 11791.360 30.850 -5.543 1.00 27.46原子640 CA TYR A 11791.744 32.035 -6.283 1.00 31.04原子641 CB TYR A 11793.154 32.450 -5.907 1.00 30.88原子642 CG TYR A 11793.281 32.754 -4.432 1.00 30.90原子643 CD1 TYR A 11793.589 31.754 -3.526 1.00 30.87原子644 CE1 TYR A 11793.708 32.024 -2.175 1.00 31.90原子645 CD2 TYR A 11793.089 34.036 -3.950 1.00 30.52原子646 CE2 TYR A 11793.203 34.319 -2.602 1.00 32.72原子647 CZ TYR A 11793.515 33.307 -1.718 1.00 32.15原子648 OH TYR A 11793.647 33.582 -0.381 1.00 31.58原子649 C TYR A 11791.570 31.864 -7.786 1.00 33.82原子650 O TYR A 11791.556 30.744 -8.299 1.00 34.45原子651 N SER A 11891.406 32.993 -8.473 1.00 37.08原子652 CA SER A 11891.200 33.024 -9.921 1.00 39.93原子653 CB SER A 11889.703 32.964 -10.247 1.00 38.74原子654 OG SER A 11889.054 34.178 -9.909 1.00 37.18原子655 C SER A 11891.838 34.274 -10.531 1.00 42.40原子656 O SER A 11892.023 35.278 -9.849 1.00 42.03原子657 N SER A 11992.198 34.195 -11.810 1.00 46.22原子658 CA SER A 11992.852 35.316 -12.492 1.00 50.06原子659 CB SER A 11994.035 34.802 -13.326 1.00 50.24原子660 OG SER A 11994.416 33.499 -12.924 1.00 50.86原子661 C SER A 11991.910 36.117 -13.385 1.00 52.37原子662 O SER A 11991.903 37.347 -13.341 1.00 52.91原子663 N GLY A 12091.130 35.395 -14.173 1.00 55.27原子664 CA GLY A 12090.150 35.997 -15.063 1.00 60.24原子665 C GLY A 12090.723 36.319 -16.427 1.00 63.01原子666 O GLY A 12091.136 35.443 -17.164 1.00 63.92原子667 N GLU A 12190.729 37.605 -16.750 1.00 64.87原子668 CA GLU A 12191.181 38.035 -18.059 1.00 66.91原子669 CB GLU A 12190.002 38.239 -19.003 1.00 67.13原子670 CG GLU A 12189.872 37.163 -20.053 1.00 67.59原子671 CD GLU A 12188.551 36.456 -19.879 1.00 67.97原子672 OE1 GLU A 12188.199 36.107 -18.728 1.00 68.36原子673 OE2 GLU A 12187.845 36.238 -20.894 1.00 67.22原子674 C GLU A 12192.000 39.293 -18.102 1.00 68.05原子675 O GLU A 12191.527 40.416 -18.130 1.00 68.41原子676 N LYS A 12293.275 38.947 -18.134 1.00 69.16原子677 CA LYS A 12294.495 39.765 -18.380 1.00 70.02原子678 CB LYS A 12294.410 40.220 -19.811 1.00 71.49原子679 CG LYS A 12294.103 39.108 -20.773 1.00 72.69原子680 CD LYS A 12294.577 39.506 -22.155 1.00 73.78原子681 CE LYS A 12294.836 38.285 -23.021 1.00 73.88原子682 NZ LYS A 12294.892 38.640 -24.471 1.00 74.66原子683 C LYS A 12294.918 40.978 -17.591 1.00 70.09
原子684 O LYS A 12294.764 42.098 -18.090 1.00 71.62原子685 N LYS A 12395.468 40.829 -16.401 1.00 68.95原子686 CA LYS A 12395.948 42.044 -15.721 1.00 67.46原子687 CB LYS A 12394.892 43.156 -15.742 1.00 68.33原子688 CG LYS A 12394.578 43.722 -17.135 1.00 69.00原子689 CD LYS A 12394.844 45.220 -17.274 1.00 70.06原子690 CE LYS A 12394.308 45.768 -18.589 1.00 70.66原子691 NZ LYS A 12394.406 47.255 -18.659 1.00 71.09原子692 C LYS A 12396.400 41.567 -14.337 1.00 66.42原子693 O LYS A 12396.248 40.376 -14.078 1.00 66.52原子694 N ASP A 12496.979 42.356 -13.419 1.00 64.99原子695 CA ASP A 12497.386 41.763 -12.097 1.00 63.08原子696 CB ASP A 12498.581 42.557 -11.470 1.00 64.72原子697 CG ASP A 12499.508 41.719 -10.574 1.00 66.66原子698 OD1 ASP A 12499.007 40.778 -9.918 1.00 67.31原子699 OD2 ASP A 124100.713 42.008 -10.527 1.00 67.88原子700 C ASP A 12496.195 41.642 -11.147 1.00 60.58原子701 O ASP A 12496.279 41.843 -9.928 1.00 60.32原子702 N GLU A 12595.069 41.253 -11.806 1.00 57.75原子703 CA GLU A 12593.726 41.062 -11.257 1.00 54.51原子704 CB GLU A 12592.680 41.433 -12.338 1.00 54.64原子705 CG GLU A 12592.520 40.487 -13.535 1.00 55.43原子706 CD GLU A 12591.258 40.811 -14.361 1.00 57.22原子707 OE1 GLU A 12590.365 41.499 -13.828 1.00 57.06原子708 OE2 GLU A 12591.178 40.368 -15.531 1.00 56.74原子709 C GLU A 12593.483 39.673 -10.725 1.00 52.58原子710 O GLU A 12593.181 38.746 -11.478 1.00 51.91原子711 N VAL A 12693.636 39.543 -9.399 1.00 50.15原子712 CA VAL A 12693.422 38.271 -8.700 1.00 47.11原子713 CB VAL A 12694.660 37.861 -7.847 1.00 48.52原子714 CG1 VAL A 12695.786 38.882 -7.991 1.00 48.96原子715 CG2 VAL A 12694.272 37.693 -6.385 1.00 49.20原子716 C VAL A 12692.139 38.282 -7.867 1.00 44.12原子717 O VAL A 12691.864 39.242 -7.137 1.00 44.14原子718 N TYR A 12791.348 37.221 -8.001 1.00 39.73原子719 CA TYR A 12790.085 37.115 -7.283 1.00 36.96原子720 CB TYR A 12788.927 36.904 -8.257 1.00 37.95原子721 CG TYR A 12788.736 38.015 -9.267 1.00 40.29原子722 CD1 TYR A 12789.358 37.961 -10.510 1.00 40.59原子723 CE1 TYR A 12789.181 38.966 -11.439 1.00 42.77原子724 CD2 TYR A 12787.928 39.107 -8.982 1.00 39.85原子725 CE2 TYR A 12787.745 40.119 -9.904 1.00 41.70原子726 CZ TYR A 12788.374 40.043 -11.133 1.00 42.94原子727 OH TYR A 12788.194 41.047 -12.060 1.00 43.28原子728 C TYR A 12790.062 35.982 -6.260 1.00 34.06原子729 O TYR A 12790.468 34.856 -6.543 1.00 33.11原子730 N LEU A 12889.502 36.285 -5.089 1.00 31.02原子731 CA LEU A 12889.322 35.294 -4.033 1.00 25.83原子732 CB LEU A 12889.494 35.929 -2.643 1.00 23.26原子733 CG LEU A 12888.909 35.128 -1.464 1.00 22.22原子734 CD1 LEU A 12889.607 33.777 -1.324 1.00 16.00原子735 CD2 LEU A 12889.012 35.928 -0.174 1.00 22.36原子736 C LEU A 12887.915 34.761 -4.187 1.00 21.88原子737 O LEU A 12886.983 35.529 -4.414 1.00 23.70
原子738 N ASN A 12987.755 33.464 -4.112 1.00 20.48原子739 CA ASN A 12986.444 32.869 -4.290 1.00 20.40原子740 CB ASN A 12986.435 31.956 -5.530 1.00 19.61原子741 CG ASN A 12986.750 32.706 -6.826 1.00 18.83原子742 OD1 ASN A 12987.882 33.116 -7.070 1.00 18.44原子743 ND2 ASN A 12985.738 32.890 -7.649 1.00 18.28原子744 C ASN A 12986.016 32.089 -3.050 1.00 20.47原子745 O ASN A 12986.687 31.155 -2.633 1.00 21.80原子746 N LEU A 13084.889 32.481 -2.487 1.00 20.29原子747 CA LEU A 13084.336 31.832 -1.310 1.00 20.70原子748 CB LEU A 13083.798 32.884 -0.336 1.00 19.16原子749 CG LEU A 13084.842 33.845 0.246 1.00 20.53原子750 CD1 LEU A 13084.192 34.844 1.188 1.00 19.74原子751 CD2 LEU A 13085.944 33.083 0.952 1.00 19.17原子752 C LEU A 13083.212 30.912 -1.720 1.00 18.40原子753 O LEU A 13082.218 31.364 -2.267 1.00 20.36原子754 N VAL A 13183.366 29.623 -1.453 1.00 17.41原子755 CA VAL A 13182.331 28.658 -1.795 1.00 18.90原子756 CB VAL A 13182.898 27.362 -2.394 1.00 16.62原子757 CG1 VAL A 13181.783 26.545 -3.013 1.00 14.67原子758 CG2 VAL A 13183.985 27.672 -3.401 1.00 20.08原子759 C VAL A 13181.495 28.332 -0.565 1.00 20.30原子760 O VAL A 13181.922 27.587 0.312 1.00 23.54原子761 N LEU A 13280.328 28.932 -0.514 1.00 22.83原子762 CA LEU A 13279.389 28.805 0.581 1.00 24.00原子763 CB LEU A 13278.898 30.211 0.947 1.00 21.47原子764 CG LEU A 13279.998 31.233 1.282 1.00 24.67原子765 CD1 LEU A 13279.629 32.628 0.781 1.00 22.71原子766 CD2 LEU A 13280.285 31.245 2.784 1.00 20.84原子767 C LEU A 13278.189 27.940 0.221 1.00 26.60原子768 O LEU A 13277.920 27.667 -0.956 1.00 26.94原子769 N ASP A 13377.448 27.535 1.247 1.00 26.48原子770 CA ASP A 13376.252 26.732 1.056 1.00 27.70原子771 CB ASP A 13375.722 26.229 2.401 1.00 30.25原子772 CG ASP A 13376.219 24.847 2.745 1.00 32.32原子773 OD1 ASP A 13376.667 24.644 3.892 1.00 35.29原子774 OD2 ASP A 13376.163 23.962 1.868 1.00 36.61原子775 C ASP A 13375.197 27.592 0.393 1.00 26.66原子776 O ASP A 13375.159 28.798 0.618 1.00 27.07原子777 N TYR A 13474.350 26.980 -0.431 1.00 26.84原子778 CA TYR A 13473.311 27.734 -1.127 1.00 25.55原子779 CB TYR A 13473.220 27.337 -2.614 1.00 24.53原子780 CG TYR A 13472.150 28.097 -3.358 1.00 22.49原子781 CD1 TYR A 13472.355 29.410 -3.749 1.00 24.18原子782 CE1 TYR A 13471.368 30.126 -4.404 1.00 26.88原子783 CD2 TYR A 13470.931 27.515 -3.640 1.00 23.64原子784 CE2 TYR A 13469.940 28.218 -4.301 1.00 27.34原子785 CZ TYR A 13470.166 29.526 -4.678 1.00 25.61原子786 OH TYR A 13469.181 30.236 -5.319 1.00 31.37原子787 C TYR A 13471.950 27.607 -0.453 1.00 23.77原子788 O TYR A 13471.436 26.517 -0.286 1.00 26.19原子789 N VAL A 13571.378 28.747 -0.092 1.00 24.90原子790 CA VAL A 13570.068 28.829 0.555 1.00 25.98原子791 CB VAL A 13570.231 29.060 2.090 1.00 26.32
原子792 CG1 VAL A 13568.921 28.837 2.825 1.00 23.53原子793 CG2 VAL A 13571.303 28.131 2.646 1.00 23.34原子794 C VAL A 13569.298 29.983 -0.096 1.00 26.48原子795 O VAL A 13569.670 31.140 0.057 1.00 28.19原子796 N PRO A 13668.259 29.671 -0.904 1.00 29.01原子797 CD PRO A 13667.800 28.303 -1.208 1.00 28.45原子798 CA PRO A 13667.487 30.682 -1.669 1.00 29.50原子799 CB PRO A 13666.720 29.834 -2.687 1.00 29.21原子800 CG PRO A 13666.532 28.532 -1.992 1.00 29.24原子801 C PRO A 13666.516 31.544 -0.869 1.00 27.47原子802 O PRO A 13666.426 32.753 -1.095 1.00 27.62原子803 N GLU A 13765.768 30.946 0.037 1.00 26.71原子804 CA GLU A 13764.814 31.738 0.804 1.00 26.93原子805 CB GLU A 13763.741 30.858 1.440 1.00 28.68原子806 CG GLU A 13762.415 30.879 0.699 1.00 33.07原子807 CD GLU A 13761.715 32.215 0.777 1.00 34.24原子808 OE1 GLU A 13762.373 33.253 0.555 1.00 36.39原子809 OE2 GLU A 13760.504 32.225 1.056 1.00 36.16原子810 C GLU A 13765.508 32.600 1.855 1.00 25.17原子811 O GLU A 13766.524 32.214 2.423 1.00 24.62原子812 N THR A 13864.941 33.767 2.108 1.00 25.35原子813 CA THR A 13865.476 34.686 3.104 1.00 21.92原子814 CB THR A 13866.266 35.838 2.485 1.00 21.16原子815 OG1 THR A 13865.406 36.743 1.818 1.00 20.53原子816 CG2 THR A 13867.387 35.427 1.560 1.00 23.02原子817 C THR A 13864.341 35.254 3.922 1.00 19.62原子818 O THR A 13863.196 35.241 3.489 1.00 19.25原子819 N VAL A 13964.664 35.774 5.104 1.00 18.08原子820 CA VAL A 13963.646 36.366 5.963 1.00 15.06原子821 CB VAL A 13964.250 36.775 7.341 1.00 15.44原子822 CG1 VAL A 13963.261 37.633 8.128 1.00 14.44原子823 CG2 VAL A 13964.628 35.526 8.126 1.00 14.11原子824 C VAL A 13963.030 37.580 5.273 1.00 13.45原子825 O VAL A 13961.843 37.840 5.405 1.00 16.40原子826 N TYR A 14063.850 38.304 4.519 1.00 15.51原子827 CA TYR A 14063.393 39.478 3.777 1.00 18.60原子828 CB TYR A 14064.572 40.136 3.040 1.00 19.07原子829 CG TYR A 14064.188 41.209 2.042 1.00 22.33原子830 CD1 TYR A 14064.026 42.528 2.441 1.00 21.83原子831 CE1 TYR A 14063.653 43.515 1.548 1.00 25.48原子832 CD2 TYR A 14063.968 40.894 0.696 1.00 24.28原子833 CE2 TYR A 14063.597 41.874 -0.215 1.00 25.55原子834 CZ TYR A 14063.438 43.181 0.213 1.00 28.52原子835 OH TYR A 14063.070 44.159 -0.687 1.00 29.82原子836 C TYR A 14062.269 39.096 2.802 1.00 19.79原子837 O TYR A 14061.222 39.728 2.778 1.00 21.98原子838 N ARG A 14162.494 38.046 2.015 1.00 24.14原子839 CA ARG A 14161.498 37.576 1.040 1.00 26.04原子840 CB ARG A 14162.068 36.432 0.193 1.00 29.54原子841 CG ARG A 14162.762 36.907 -1.071 1.00 35.28原子842 CD ARG A 14163.184 35.740 -1.960 1.00 40.58原子843 NE ARG A 14163.685 36.203 -3.259 1.00 46.87原子844 CZ ARG A 14164.975 36.443 -3.525 1.00 48.90原子845 NH1 ARG A 14165.915 36.179 -2.617 1.00 50.35
原子846 NH2 ARG A 14165.328 36.940 -4.713 1.00 51.46原子847 C ARG A 14160.220 37.1171.719 1.00 25.46原子848 O ARG A 14159.124 37.5131.330 1.00 25.12原子849 N VAL A 14260.362 36.2782.740 1.00 27.17原子850 CA VAL A 14259.209 35.7713.473 1.00 24.40原子851 CB VAL A 14259.649 34.8074.594 1.00 24.71原子852 CG1 VAL A 14258.477 34.4325.487 1.00 24.45原子853 CG2 VAL A 14260.295 33.5623.995 1.00 25.79原子854 C VAL A 14258.402 36.9224.059 1.00 23.43原子855 O VAL A 14257.177 36.8994.030 1.00 26.36原子856 N ALA A 14359.109 37.9274.584 1.00 23.47原子857 CA ALA A 14358.492 39.1115.192 1.00 22.83原子858 CB ALA A 14359.569 39.9705.858 1.00 20.91原子859 C ALA A 14357.693 39.9184.176 1.00 20.62原子860 O ALA A 14356.521 40.2254.384 1.00 17.83原子861 N ARG A 14458.325 40.2373.052 1.00 24.31原子862 CA ARG A 14457.650 40.9831.977 1.00 23.67原子863 CB ARG A 14458.635 41.2690.844 1.00 26.35原子864 CG ARG A 14458.023 42.018 -0.327 1.00 29.59原子865 CD ARG A 14459.045 42.234 -1.425 1.00 29.52原子866 NE ARG A 14459.470 40.973 -2.016 1.00 32.38原子867 CZ ARG A 14460.603 40.819 -2.699 1.00 33.78原子868 NH1 ARG A 14461.368 41.874 -2.977 1.00 34.65原子869 NH2 ARG A 14460.962 39.609 -3.123 1.00 34.37原子870 C ARG A 14456.453 40.1901.469 1.00 22.19原子871 O ARG A 14455.399 40.7491.181 1.00 23.86原子872 N HIS A 14556.611 38.8761.413 1.00 23.70原子873 CA HIS A 14555.545 37.9700.988 1.00 26.97原子874 CB HIS A 14556.062 36.5251.009 1.00 30.84原子875 CG HIS A 14555.056 35.4640.707 1.00 36.75原子876 CD2 HIS A 14554.720 34.3441.401 1.00 38.92原子877 ND1 HIS A 14554.269 35.458 -0.435 1.00 39.38原子878 CE1 HIS A 14553.495 34.383 -0.429 1.00 40.00原子879 NE2 HIS A 14553.751 33.6910.677 1.00 41.00原子880 C HIS A 14554.290 38.1591.852 1.00 27.08原子881 O HIS A 14553.188 38.3121.320 1.00 26.89原子882 N TYR A 14654.463 38.2033.194 1.00 26.20原子883 CA TYR A 14653.329 38.4324.116 1.00 23.27原子884 CB TYR A 14653.707 38.0795.566 1.00 21.78原子885 CG TYR A 14653.640 36.6085.837 1.00 16.94原子886 CD1 TYR A 14654.716 35.7935.563 1.00 15.65原子887 CE1 TYR A 14654.641 34.4345.758 1.00 15.99原子888 CD2 TYR A 14652.484 36.0346.314 1.00 15.27原子889 CE2 TYR A 14652.408 34.6736.520 1.00 16.80原子890 CZ TYR A 14653.485 33.8846.238 1.00 14.45原子891 OH TYR A 14653.403 32.5266.431 1.00 18.28原子892 C TYR A 14652.867 39.8794.044 1.00 22.91原子893 O TYR A 14651.681 40.1684.096 1.00 22.73原子894 N SER A 14753.827 40.7803.913 1.00 25.91原子895 CA SER A 14753.567 42.2183.816 1.00 29.26原子896 CB SER A 14754.904 42.9623.732 1.00 29.44原子897 OG SER A 14754.724 44.2953.311 1.00 34.56原子898 C SER A 14752.667 42.5712.606 1.00 31.47原子899 O SER A 14751.723 43.3612.733 1.00 30.92
原子900 N ARG A 14852.959 41.979 1.436 1.00 32.82原子901 CA ARG A 14852.172 42.240 0.221 1.00 34.38原子902 CB ARG A 14852.801 41.544 -0.979 1.00 35.40原子903 CG ARG A 14853.649 42.476 -1.818 1.00 35.95原子904 CD ARG A 14854.822 41.747 -2.445 1.00 37.90原子905 NE ARG A 14855.806 42.672 -2.977 1.00 38.82原子906 CZ ARG A 14856.864 42.291 -3.674 1.00 41.01原子907 NH1 ARG A 14857.058 41.002 -3.949 1.00 41.88原子908 NH2 ARG A 14857.734 43.200 -4.101 1.00 41.62原子909 C ARG A 14850.714 41.802 0.385 1.00 34.50原子910 O ARG A 14849.798 42.417 -0.173 1.00 35.04原子911 N ALA A 14950.492 40.766 1.179 1.00 33.08原子912 CA ALA A 14949.136 40.306 1.429 1.00 32.56原子913 CB ALA A 14949.116 38.800 1.624 1.00 32.41原子914 C ALA A 14948.535 41.021 2.647 1.00 32.79原子915 O ALA A 14947.471 40.639 3.124 1.00 33.04原子916 N LYS A 15049.233 42.054 3.155 1.00 34.10原子917 CA LYS A 15048.776 42.804 4.328 1.00 34.50原子918 CB LYS A 15047.474 43.560 4.023 1.00 34.90原子919 CG LYS A 15047.633 44.680 3.001 1.00 36.28原子920 CD LYS A 15048.720 45.668 3.405 1.00 38.33原子921 CE LYS A 15048.615 46.983 2.636 1.00 40.38原子922 NZ LYS A 15049.673 47.109 1.583 1.00 41.77原子923 C LYS A 15048.589 41.851 5.508 1.00 34.57原子924 O LYS A 15047.651 41.981 6.293 1.00 34.54原子925 N GLN A 15149.483 40.872 5.599 1.00 34.09原子926 CA GLN A 15149.417 39.868 6.645 1.00 34.74原子927 CB GLN A 15149.142 38.500 6.043 1.00 35.68原子928 CG GLN A 15147.699 38.313 5.622 1.00 38.01原子929 CD GLN A 15147.309 36.860 5.577 1.00 38.94原子930 OE1 GLN A 15148.170 35.982 5.527 1.00 37.93原子931 NE2 GLN A 15146.004 36.596 5.599 1.00 39.52原子932 C GLN A 15150.669 39.818 7.501 1.00 34.35原子933 O GLN A 15151.739 40.266 7.100 1.00 32.05原子934 N THR A 15250.506 39.263 8.698 1.00 34.62原子935 CA THR A 15251.588 39.132 9.661 1.00 34.27原子936 CB THR A 15251.033 39.416 11.078 1.00 36.00原子937 OG1 THR A 15250.127 40.515 11.083 1.00 37.75原子938 CG2 THR A 15252.091 39.668 12.129 1.00 35.72原子939 C THR A 15252.160 37.723 9.623 1.00 31.15原子940 O THR A 15251.415 36.759 9.512 1.00 32.52原子941 N LEU A 15353.471 37.604 9.766 1.00 30.45原子942 CA LEU A 15354.108 36.292 9.808 1.00 30.39原子943 CB LEU A 15355.623 36.452 9.713 1.00 32.03原子944 CG LEU A 15356.444 35.160 9.724 1.00 32.38原子945 CD1 LEU A 15356.138 34.318 8.494 1.00 33.99原子946 CD2 LEU A 15357.931 35.469 9.808 1.00 33.12原子947 C LEU A 15353.752 35.619 11.145 1.00 29.43原子948 O LEU A 15353.857 36.243 12.195 1.00 28.63原子949 N PRO A 15453.280 34.356 11.133 1.00 28.74原子950 CD PRO A 15453.046 33.527 9.930 1.00 27.55原子951 CA PRO A 15452.888 33.651 12.369 1.00 27.14原子952 CB PRO A 15452.653 32.224 11.895 1.00 27.21原子953 CG PRO A 15452.190 32.414 10.479 1.00 30.24
原子954 C PRO A 15453.966 33.717 13.452 1.00 23.50原子955 O PRO A 15455.105 33.353 13.218 1.00 24.23原子956 N VAL A 15553.579 34.204 14.634 1.00 22.72原子957 CA VAL A 15554.476 34.360 15.800 1.00 20.53原子958 CB VAL A 15553.685 34.678 17.102 1.00 23.34原子959 CG1 VAL A 15554.507 34.387 18.361 1.00 24.21原子960 CG2 VAL A 15553.226 36.124 17.092 1.00 20.95原子961 C VAL A 15555.414 33.177 16.007 1.00 16.62原子962 O VAL A 15556.576 33.366 16.328 1.00 20.84原子963 N ILE A 15654.933 31.960 15.807 1.00 18.03原子964 CA ILE A 15655.790 30.790 15.965 1.00 19.48原子965 CB ILE A 15655.043 29.441 15.759 1.00 21.25原子966 CG2 ILE A 15654.460 29.328 14.356 1.00 23.81原子967 CG1 ILE A 15655.971 28.257 16.041 1.00 21.62原子968 CD1 ILE A 15656.329 28.079 17.507 1.00 23.55原子969 C ILE A 15657.032 30.878 15.064 1.00 21.28原子970 O ILE A 15658.115 30.419 15.450 1.00 23.11原子971 N TYR A 15756.875 31.498 13.869 1.00 21.30原子972 CA TYR A 15757.993 31.669 12.920 1.00 20.67原子973 CB TYR A 15757.466 31.982 11.503 1.00 22.40原子974 CG TYR A 15756.837 30.800 10.804 1.00 20.61原子975 CD1 TYR A 15755.507 30.824 10.439 1.00 23.85原子976 CE1 TYR A 15754.922 29.748 9.808 1.00 26.60原子977 CD2 TYR A 15757.578 29.665 10.519 1.00 22.96原子978 CE2 TYR A 15757.003 28.581 9.889 1.00 26.14原子979 CZ TYR A 15755.673 28.631 9.536 1.00 27.11原子980 OH TYR A 15755.092 27.558 8.905 1.00 32.33原子981 C TYR A 15758.907 32.791 13.388 1.00 17.50原子982 O TYR A 15760.119 32.722 13.270 1.00 16.80原子983 N VAL A 15858.317 33.824 13.939 1.00 17.44原子984 CA VAL A 15859.108 34.928 14.442 1.00 18.24原子985 CB VAL A 15858.214 36.067 14.939 1.00 20.43原子986 CG1 VAL A 15859.055 37.177 15.559 1.00 19.36原子987 CG2 VAL A 15857.359 36.605 13.801 1.00 18.19原子988 C VAL A 15860.014 34.432 15.574 1.00 17.07原子989 O VAL A 15861.174 34.805 15.658 1.00 18.46原子990 N LYS A 15959.480 33.560 16.428 1.00 18.82原子991 CA LYS A 15960.264 33.002 17.545 1.00 19.42原子992 CB LYS A 15959.362 32.146 18.441 1.00 16.16原子993 CG LYS A 15958.585 32.971 19.446 1.00 18.16原子994 CD LYS A 15957.569 32.135 20.217 1.00 19.52原子995 CE LYS A 15956.559 33.019 20.938 1.00 20.28原子996 NZ LYS A 15955.522 32.220 21.646 1.00 22.23原子997 C LYS A 15961.434 32.179 17.050 1.00 18.62原子998 O LYS A 15962.589 32.436 17.411 1.00 18.36原子999 N LEU A 16061.121 31.178 16.225 1.00 20.14原子1000 CA LEU A 16062.120 30.274 15.661 1.00 19.50原子1001 CB LEU A 16061.466 29.267 14.706 1.00 19.84原子1002 CG LEU A 16060.808 28.051 15.365 1.00 22.33原子1003 CD1 LEU A 16059.638 27.550 14.528 1.00 22.99原子1004 CD2 LEU A 16061.828 26.945 15.596 1.00 22.73原子1005 C LEU A 16063.224 31.012 14.948 1.00 18.91原子1006 O LEU A 16064.397 30.708 15.142 1.00 19.83原子1007 N TYR A 16162.860 31.967 14.113 1.00 17.95
原子1008 CA TYR A 16163.865 32.719 13.366 1.00 20.81原子1009 CB TYR A 16163.218 33.585 12.257 1.00 21.26原子1010 CG TYR A 16162.470 32.792 11.198 1.00 23.48原子1011 CD1 TYR A 16162.769 31.463 10.954 1.00 23.93原子1012 CE1 TYR A 16162.064 30.738 10.009 1.00 29.23原子1013 CD2 TYR A 16161.450 33.376 10.466 1.00 24.92原子1014 CE2 TYR A 16160.744 32.665 9.516 1.00 27.72原子1015 CZ TYR A 16161.051 31.348 9.291 1.00 28.92原子1016 OH TYR A 16160.343 30.631 8.348 1.00 32.19原子1017 C TYR A 16164.725 33.592 14.267 1.00 19.07原子1018 O TYR A 16165.943 33.579 14.159 1.00 20.35原子1019 N MET A 16264.078 34.382 15.130 1.00 19.27原子1020 CA MET A 16264.808 35.296 16.026 1.00 17.97原子1021 CB MET A 16263.843 36.243 16.743 1.00 18.49原子1022 CG MET A 16263.234 37.287 15.810 1.00 20.41原子1023 SD MET A 16264.483 38.213 14.898 1.00 22.51原子1024 CE MET A 16265.609 38.696 16.222 1.00 21.98原子1025 C MET A 16265.717 34.556 16.997 1.00 14.30原子1026 O MET A 16266.844 34.977 17.247 1.00 18.15原子1027 N TYR A 16365.250 33.433 17.508 1.00 15.87原子1028 CA TYR A 16366.055 32.616 18.431 1.00 17.26原子1029 CB TYR A 16365.225 31.385 18.868 1.00 16.49原子1030 CG TYR A 16365.952 30.442 19.801 1.00 17.42原子1031 CD1 TYR A 16365.926 30.620 21.194 1.00 18.67原子1032 CE1 TYR A 16366.623 29.762 22.037 1.00 16.89原子1033 CD2 TYR A 16366.684 29.381 19.291 1.00 16.80原子1034 CE2 TYR A 16367.371 28.525 20.111 1.00 18.00原子1035 CZ TYR A 16367.341 28.722 21.492 1.00 20.67原子1036 OH TYR A 16368.062 27.886 22.302 1.00 20.49原子1037 C TYR A 16367.367 32.182 17.770 1.00 18.07原子1038 O TYR A 16368.480 32.385 18.309 1.00 20.01原子1039 N GLN A 16467.244 31.585 16.579 1.00 17.19原子1040 CA GLN A 16468.410 31.118 15.826 1.00 12.78原子1041 CB GLN A 16467.966 30.351 14.569 1.00 14.61原子1042 CG GLN A 16467.389 28.990 14.899 1.00 14.23原子1043 CD GLN A 16466.632 28.353 13.751 1.00 16.46原子1044 OE1 GLN A 16465.450 28.584 13.578 1.00 17.33原子1045 NE2 GLN A 16467.312 27.522 12.981 1.00 12.47原子1046 C GLN A 16469.396 32.233 15.520 1.00 8.49原子1047 O GLN A 16470.590 32.015 15.536 1.00 9.26原子1048 N LEU A 16568.883 33.437 15.282 1.00 11.16原子1049 CA LEU A 16569.712 34.619 15.011 1.00 11.15原子1050 CB LEU A 16568.797 35.799 14.635 1.00 9.98原子1051 CG LEU A 16569.420 36.939 13.825 1.00 13.67原子1052 CD1 LEU A 16568.899 38.285 14.272 1.00 13.53原子1053 CD2 LEU A 16570.930 36.916 13.817 1.00 14.22原子1054 C LEU A 16570.499 35.006 16.266 1.00 10.07原子1055 O LEU A 16571.696 35.258 16.226 1.00 11.99原子1056 N PHE A 16669.806 35.058 17.391 1.00 12.97原子1057 CA PHE A 16670.474 35.408 18.652 1.00 13.16原子1058 CB PHE A 16669.441 35.524 19.778 1.00 9.30原子1059 CG PHE A 16668.706 36.825 19.704 1.00 5.00原子1060 CD1 PHE A 16667.345 36.861 19.600 1.00 5.00原子1061 CD2 PHE A 16669.396 38.007 19.743 1.00 5.00
原子1062 CE1 PHE A 16666.673 38.054 19.544 1.00 5.00原子1063 CE2 PHE A 16668.733 39.208 19.682 1.00 7.78原子1064 CZ PHE A 16667.370 39.228 19.586 1.00 6.07原子1065 CPHE A 16671.557 34.396 18.943 1.00 9.24原子1066 OPHE A 16672.679 34.743 19.273 1.00 14.23原子1067 NARG A 16771.238 33.147 18.736 1.00 11.80原子1068 CA ARG A 16772.210 32.087 18.915 1.00 14.27原子1069 CB ARG A 16771.542 30.754 18.618 1.00 17.59原子1070 CG ARG A 16771.692 29.753 19.734 1.00 20.33原子1071 CD ARG A 16772.416 28.515 19.268 1.00 19.92原子1072 NE ARG A 16771.499 27.404 19.111 1.00 20.11原子1073 CZ ARG A 16771.873 26.132 19.040 1.00 19.61原子1074 NH1 ARG A 16773.150 25.796 19.095 1.00 20.92原子1075 NH2 ARG A 16770.950 25.191 18.916 1.00 23.68原子1076 CARG A 16773.439 32.284 18.020 1.00 18.46原子1077 OARG A 16774.591 32.262 18.498 1.00 19.88原子1078 NSER A 16873.224 32.492 16.707 1.00 18.03原子1079 CA SER A 16874.380 32.704 15.820 1.00 16.37原子1080 CB SER A 16873.950 32.854 14.337 1.00 13.75原子1081 OG SER A 16873.376 34.123 14.092 1.00 10.05原子1082 CSER A 16875.171 33.928 16.291 1.00 14.44原子1083 OSER A 16876.397 33.940 16.249 1.00 15.57原子1084 NLEU A 16974.460 34.952 16.763 1.00 13.04原子1085 CA LEU A 16975.127 36.170 17.264 1.00 15.39原子1086 CB LEU A 16974.098 37.253 17.578 1.00 15.44原子1087 CG LEU A 16973.461 37.955 16.369 1.00 17.31原子1088 CD1 LEU A 16972.451 38.999 16.826 1.00 12.89原子1089 CD2 LEU A 16974.535 38.608 15.514 1.00 12.28原子1090 CLEU A 16975.979 35.855 18.511 1.00 14.46原子1091 OLEU A 16977.130 36.263 18.611 1.00 14.94原子1092 NALA A 17075.413 35.083 19.438 1.00 17.16原子1093 CA ALA A 17076.135 34.678 20.653 1.00 18.82原子1094 CB ALA A 17075.251 33.764 21.513 1.00 18.42原子1095 CALA A 17077.425 33.964 20.279 1.00 18.95原子1096 OALA A 17078.518 34.272 20.800 1.00 19.35原子1097 NTYR A 17177.303 33.011 19.358 1.00 19.08原子1098 CA TYR A 17178.455 32.251 18.897 1.00 16.90原子1099 CB TYR A 17178.033 31.178 17.884 1.00 17.64原子1100 CG TYR A 17179.187 30.407 17.276 1.00 17.25原子1101 CD1 TYR A 17179.791 29.354 17.957 1.00 15.43原子1102 CE1 TYR A 17180.836 28.648 17.394 1.00 17.19原子1103 CD2 TYR A 17179.667 30.735 16.013 1.00 15.34原子1104 CE2 TYR A 17180.717 30.035 15.439 1.00 15.84原子1105 CZ TYR A 17181.294 28.998 16.125 1.00 18.87原子1106 OH TYR A 17182.328 28.299 15.551 1.00 20.53原子1107 CTYR A 17179.551 33.149 18.345 1.00 16.46原子1108 OTYR A 17180.717 33.012 18.719 1.00 18.03原子1109 NILE A 17279.203 34.073 17.449 1.00 16.80原子1110 CA ILE A 17280.235 34.947 16.878 1.00 16.95原子1111 CB ILE A 17279.798 35.670 15.572 1.00 15.99原子1112 CG2 ILE A 17279.655 34.672 14.435 1.00 18.73原子1113 CG1 ILE A 17278.488 36.437 15.769 1.00 16.30原子1114 CD1 ILE A 17278.254 37.509 14.728 1.00 18.08原子1115 CILE A 17280.744 35.949 17.892 1.00 15.06
原子1116 O ILE A 17281.937 36.187 17.987 1.00 14.81原子1117 N HIS A 17379.834 36.527 18.662 1.00 16.56原子1118 CA HIS A 17380.230 37.494 19.692 1.00 17.03原子1119 CB HIS A 17378.991 38.097 20.377 1.00 16.14原子1120 CG HIS A 17378.208 39.002 19.467 1.00 14.02原子1121 CD2 HIS A 17378.483 39.454 18.197 1.00 13.45原子1122 ND1 HIS A 17377.015 39.594 19.825 1.00 12.19原子1123 CE1 HIS A 17376.587 40.372 18.826 1.00 14.81原子1124 NE2 HIS A 17377.466 40.300 17.831 1.00 10.44原子1125 C HIS A 17381.225 36.849 20.687 1.00 17.24原子1126 O HIS A 17382.097 37.540 21.205 1.00 20.12原子1127 N SER A 17481.130 35.508 20.877 1.00 17.18原子1128 CA SER A 17482.043 34.715 21.747 1.00 18.95原子1129 CB SER A 17481.725 33.214 21.672 1.00 18.66原子1130 OG SER A 17480.376 32.963 21.936 1.00 29.03原子1131 C SER A 17483.499 34.857 21.344 1.00 20.81原子1132 O SER A 17484.400 34.758 22.196 1.00 18.20原子1133 N PHE A 17583.732 35.042 20.035 1.00 18.33原子1134 CA PHE A 17585.079 35.164 19.488 1.00 18.92原子1135 CB PHE A 17585.156 34.469 18.111 1.00 20.09原子1136 CG PHE A 17585.081 32.969 18.177 1.00 18.05原子1137 CD1 PHE A 17586.215 32.221 18.380 1.00 18.98原子1138 CD2 PHE A 17583.875 32.317 18.051 1.00 19.83原子1139 CE1 PHE A 17586.151 30.849 18.455 1.00 19.35原子1140 CE2 PHE A 17583.804 30.945 18.124 1.00 19.15原子1141 CZ PHE A 17584.943 30.211 18.327 1.00 17.42原子1142 C PHE A 17585.4 84 36.615 19.330 1.00 18.22原子1143 O PHE A 17586.571 36.903 18.831 1.00 21.16原子1144 N GLY A 17684.599 37.528 19.727 1.00 18.25原子1145 CA GLY A 17684.878 38.955 19.591 1.00 18.73原子1146 C GLY A 17684.541 39.492 18.193 1.00 18.75原子1147 O GLY A 17684.909 40.614 17.844 1.00 16.75原子1148 N ILE A 17783.844 38.675 17.400 1.00 18.95原子1149 CA ILE A 17783.459 39.023 16.023 1.00 17.03原子1150 CB ILE A 17783.391 37.750 15.144 1.00 18.98原子1151 CG2 ILE A 17782.803 38.078 13.767 1.00 20.31原子1152 CG1 ILE A 17784.770 37.106 15.031 1.00 16.05原子1153 CD1 ILE A 17784.720 35.603 14.862 1.00 17.66原子1154 C ILE A 17782.107 39.713 15.933 1.00 13.93原子1155 O ILE A 17781.087 39.148 16.280 1.00 16.03原子1156 N CYS A 17882.107 40.917 15.407 1.00 12.55原子1157 CA CYS A 17880.887 41.662 15.204 1.00 13.12原子1158 CB CYS A 17881.095 43.115 15.644 1.00 12.26原子1159 SG CYS A 17879.577 44.043 15.818 1.00 21.65原子1160 C CYS A 17880.521 41.604 13.699 1.00 15.33原子1161 O CYS A 17881.362 41.910 12.845 1.00 17.46原子1162 N HIS A 17979.294 41.183 13.409 1.00 14.88原子1163 CA HIS A 17978.779 41.037 12.050 1.00 18.49原子1164 CB HIS A 17977.380 40.418 12.066 1.00 16.51原子1165 CG HIS A 17976.978 39.835 10.736 1.00 19.21原子1166 CD2 HIS A 17977.365 38.698 10.109 1.00 18.67原子1167 ND1 HIS A 17976.083 40.442 9.882 1.00 16.97原子1168 CE1 HIS A 17975.938 39.711 8.799 1.00 13.99原子1169 NE2 HIS A 17976.705 38.649 8.912 1.00 15.08
原子1170 C HIS A 17978.767 42.383 11.325 1.00 20.60原子1171 O HIS A 17979.474 42.552 10.338 1.00 17.90原子1172 N ARG A 18077.980 43.331 11.875 1.00 19.78原子1173 CA ARG A 18077.862 44.697 11.369 1.00 19.72原子1174 CB ARG A 18079.237 45.298 11.122 1.00 22.50原子1175 CG ARG A 18080.046 45.492 12.395 1.00 20.08原子1176 CD ARG A 18081.157 46.504 12.195 1.00 20.28原子1177 NE ARG A 18082.159 46.023 11.247 1.00 22.10原子1178 CZ ARG A 18083.174 46.749 10.797 1.00 19.60原子1179 NH1 ARG A 18083.369 47.979 11.242 1.00 20.78原子1180 NH2 ARG A 18084.005 46.229 9.907 1.00 20.16原子1181 C ARG A 18076.971 44.837 10.121 1.00 19.93原子1182 O ARG A 18076.937 45.907 9.506 1.00 18.32原子1183 N ASP A 18176.218 43.793 9.784 1.00 20.47原子1184 CA ASP A 18175.305 43.846 8.640 1.00 22.91原子1185 CB ASP A 18176.048 43.534 7.319 1.00 20.92原子1186 CG ASP A 18175.296 43.997 6.056 1.00 24.19原子1187 OD1 ASP A 18174.353 44.814 6.170 1.00 20.69原子1188 OD2 ASP A 18175.663 43.529 4.948 1.00 22.69原子1189 C ASP A 18174.106 42.930 8.853 1.00 22.26原子1190 O ASP A 18173.738 42.132 7.980 1.00 22.03原子1191 N ILE A 18273.486 43.061 10.041 1.00 21.81原子1192 CA ILE A 18272.330 42.277 10.419 1.00 17.10原子1193 CB ILE A 18272.215 42.135 11.959 1.00 18.31原子1194 CG2 ILE A 18270.918 41.438 12.353 1.00 15.65原子1195 CG1 ILE A 18273.431 41.377 12.489 1.00 16.67原子1196 CD1 ILE A 18273.369 39.879 12.244 1.00 15.69原子1197 C ILE A 18271.056 42.859 9.841 1.00 17.49原子1198 O ILE A 18270.618 43.954 10.222 1.00 17.73原子1199 N LYS A 18370.482 42.115 8.903 1.00 14.95原子1200 CA LYS A 18369.273 42.519 8.220 1.00 12.48原子1201 CB LYS A 18369.614 43.479 7.071 1.00 17.35原子1202 CG LYS A 18370.456 42.850 5.959 1.00 14.20原子1203 CD LYS A 18371.084 43.921 5.087 1.00 17.19原子1204 CE LYS A 18371.955 43.310 4.001 1.00 20.09原子1205 NZ LYS A 18372.604 44.349 3.158 1.00 17.13原子1206 C LYS A 18368.548 41.288 7.705 1.00 8.04原子1207 O LYS A 18369.132 40.220 7.644 1.00 8.53原子1208 N PRO A 18467.270 41.414 7.360 1.00 7.13原子1209 CD PRO A 18466.505 42.647 7.427 1.00 6.34原子1210 CA PRO A 18466.460 40.292 6.884 1.00 11.96原子1211 CB PRO A 18465.121 40.928 6.544 1.00 10.86原子1212 CG PRO A 18465.096 42.183 7.334 1.00 8.34原子1213 C PRO A 18467.030 39.540 5.668 1.00 14.64原子1214 O PRO A 18466.792 38.343 5.527 1.00 18.32原子1215 N GLN A 18567.771 40.226 4.788 1.00 17.59原子1216 CA GLN A 18568.319 39.545 3.610 1.00 19.45原子1217 CB GLN A 18568.582 40.495 2.431 1.00 22.98原子1218 CG GLN A 18569.181 41.826 2.809 1.00 28.27原子1219 CD GLN A 18568.121 42.897 2.974 1.00 32.07原子1220 OE1 GLN A 18567.725 43.533 1.993 1.00 32.64原子1221 NE2 GLN A 18567.657 43.105 4.223 1.00 26.42原子1222 C GLN A 18569.544 38.734 3.938 1.00 19.77原子1223 O GLN A 18569.951 37.860 3.150 1.00 16.26
原子1224 N ASN A 18670.135 38.9975.117 1.00 17.25原子1225 CA ASN A 18671.311 38.2445.532 1.00 15.26原子1226 CB ASN A 18672.408 39.1456.120 1.00 17.32原子1227 CG ASN A 18673.194 39.8595.019 1.00 19.75原子1228 OD1 ASN A 18673.140 39.4643.844 1.00 19.21原子1229 ND2 ASN A 18673.931 40.8995.376 1.00 16.18原子1230 C ASN A 18670.942 37.0306.401 1.00 13.78原子1231 O ASN A 18671.800 36.3596.966 1.00 14.79原子1232 N LEU A 18769.658 36.7456.447 1.00 14.07原子1233 CA LEU A 18769.098 35.6187.182 1.00 16.11原子1234 CB LEU A 18768.023 36.1148.160 1.00 13.53原子1235 CG LEU A 18768.465 37.2469.086 1.00 14.77原子1236 CD1 LEU A 18767.284 37.8299.849 1.00 12.78原子1237 CD2 LEU A 18769.573 36.76310.004 1.00 14.06原子1238 C LEU A 18768.490 34.6006.219 1.00 18.88原子1239 O LEU A 18767.385 34.7885.712 1.00 20.91原子1240 N LEU A 18869.224 33.5295.972 1.00 21.65原子1241 CA LEU A 18868.787 32.4795.069 1.00 24.39原子1242 CB LEU A 18870.000 31.7594.474 1.00 24.36原子1243 CG LEU A 18871.063 32.6563.853 1.00 23.20原子1244 CD1 LEU A 18872.240 31.8343.352 1.00 22.15原子1245 CD2 LEU A 18870.467 33.4992.737 1.00 22.86原子1246 C LEU A 18867.869 31.4815.753 1.00 26.90原子1247 O LEU A 18868.136 31.0396.879 1.00 27.46原子1248 N LEU A 18966.786 31.1355.058 1.00 27.05原子1249 CA LEU A 18965.802 30.2005.559 1.00 29.15原子1250 CB LEU A 18964.434 30.8775.628 1.00 28.90原子1251 CG LEU A 18964.289 32.0546.581 1.00 26.77原子1252 CD1 LEU A 18962.832 32.5206.637 1.00 28.02原子1253 CD2 LEU A 18964.798 31.6797.971 1.00 27.53原子1254 C LEU A 18965.668 28.9774.666 1.00 33.15原子1255 O LEU A 18965.827 29.0593.435 1.00 33.46原子1256 N ASP A 19065.376 27.8575.327 1.00 35.73原子1257 CA ASP A 19065.108 26.6094.632 1.00 37.59原子1258 CB ASP A 19065.798 25.4245.338 1.00 38.82原子1259 CG ASP A 19065.775 24.1364.535 1.00 39.75原子1260 OD1 ASP A 19066.831 23.5154.370 1.00 39.88原子1261 OD2 ASP A 19064.679 23.7504.076 1.00 39.72原子1262 C ASP A 19063.601 26.4984.600 1.00 39.63原子1263 O ASP A 19062.945 26.5575.634 1.00 38.67原子1264 N PRO A 19163.054 26.3473.345 1.00 41.30原子1265 CD PRO A 19163.606 26.9052.106 1.00 43.05原子1266 CA PRO A 19161.636 26.3783.230 1.00 42.88原子1267 CB PRO A 19161.355 25.9891.827 1.00 43.47原子1268 CG PRO A 19162.479 26.7141.120 1.00 44.65原子1269 C PRO A 19161.091 25.5584.271 1.00 43.67原子1270 O PRO A 19160.198 25.8775.043 1.00 45.02原子1271 N ASP A 19261.712 24.3924.198 1.00 43.63原子1272 CA ASP A 19261.232 23.2454.931 1.00 43.69原子1273 CB ASP A 19261.357 22.0224.086 1.00 45.58原子1274 CG ASP A 19260.818 22.1952.695 1.00 46.33原子1275 OD1 ASP A 19259.591 22.3632.541 1.00 46.49原子1276 OD2 ASP A 19261.616 22.1681.743 1.00 48.09原子1277 C ASP A 19261.792 22.6606.271 1.00 42.33
原子1278 O ASP A 19261.192 21.6746.684 1.00 43.45原子1279 N THR A 19362.857 23.0956.969 1.00 40.04原子1280 CA THR A 19363.208 22.5348.269 1.00 38.45原子1281 CB THR A 19364.684 22.0928.356 1.00 37.80原子1282 OG1 THR A 19365.498 23.0477.662 1.00 38.94原子1283 CG2 THR A 19364.855 20.7217.717 1.00 37.62原子1284 C THR A 19362.899 23.6549.248 1.00 37.60原子1285 O THR A 19362.720 23.44810.444 1.00 37.52原子1286 N ALA A 19462.858 24.8558.720 1.00 35.57原子1287 CA ALA A 19462.599 26.0069.539 1.00 34.21原子1288 CB ALA A 19461.615 25.68110.649 1.00 36.13原子1289 C ALA A 19463.940 26.49310.127 1.00 32.61原子1290 O ALA A 19463.973 27.37610.993 1.00 32.94原子1291 N VAL A 19565.042 25.9209.636 1.00 29.19原子1292 CA VAL A 19566.376 26.29810.094 1.00 25.71原子1293 CB VAL A 19567.415 25.2379.725 1.00 23.91原子1294 CG1 VAL A 19568.812 25.71210.092 1.00 24.71原子1295 CG2 VAL A 19567.104 23.92210.420 1.00 24.73原子1296 C VAL A 19566.791 27.6409.486 1.00 26.18原子1297 O VAL A 19566.454 27.9348.332 1.00 27.87原子1298 N LEU A 19667.516 28.44710.271 1.00 21.67原子1299 CA LEU A 19667.980 29.7529.838 1.00 18.05原子1300 CB LEU A 19667.348 30.88510.662 1.00 17.64原子1301 CG LEU A 19667.930 32.29910.469 1.00 17.61原子1302 CD1 LEU A 19666.867 33.35210.714 1.00 16.49原子1303 CD2 LEU A 19669.143 32.53511.368 1.00 20.40原子1304 C LEU A 19669.484 29.8309.893 1.00 17.95原子1305 O LEU A 19670.118 29.28610.795 1.00 16.92原子1306 N LYS A 19770.062 30.5058.915 1.00 17.55原子1307 CA LYS A 19771.496 30.6538.856 1.00 17.81原子1308 CB LYS A 19772.107 29.7257.806 1.00 19.05原子1309 CG LYS A 19771.753 28.2678.014 1.00 21.12原子1310 CD LYS A 19772.851 27.3447.520 1.00 21.21原子1311 CE LYS A 19772.434 25.8807.619 1.00 22.57原子1312 NZ LYS A 19773.276 25.1098.585 1.00 26.08原子1313 C LYS A 19771.849 32.0958.570 1.00 18.79原子1314 O LYS A 19771.160 32.7787.795 1.00 20.26原子1315 N LEU A 19872.922 32.5489.204 1.00 18.11原子1316 CA LEU A 19873.418 33.9059.053 1.00 18.99原子1317 CB LEU A 19874.203 34.29810.327 1.00 19.76原子1318 CG LEU A 19873.948 35.69010.921 1.00 19.89原子1319 CD1 LEU A 19875.165 36.16511.692 1.00 16.57原子1320 CD2 LEU A 19873.562 36.7059.850 1.00 14.92原子1321 C LEU A 19874.391 33.9217.883 1.00 17.30原子1322 O LEU A 19875.208 33.0157.757 1.00 15.58原子1323 N CYS A 19974.331 34.9477.050 1.00 15.58原子1324 CA CYS A 19975.272 35.0045.938 1.00 17.83原子1325 CB CYS A 19974.615 34.5464.613 1.00 14.27原子1326 SG CYS A 19973.261 35.6104.074 1.00 19.47原子1327 C CYS A 19975.868 36.3835.789 1.00 17.30原子1328 O CYS A 19975.511 37.3246.532 1.00 19.26原子1329 N ASP A 20076.758 36.4884.798 1.00 15.75原子1330 CA ASP A 20077.438 37.7084.426 1.00 13.20原子1331 CB ASP A 20076.467 38.7053.819 1.00 10.32
原子1332 CG ASP A 20077.134 39.973 3.349 1.00 6.94原子1333 OD1 ASP A 20076.421 40.968 3.160 1.00 17.09原子1334 OD2 ASP A 20078.361 39.977 3.177 1.00 15.72原子1335 C ASP A 20078.272 38.329 5.543 1.00 17.58原子1336 O ASP A 20077.822 39.222 6.256 1.00 17.88原子1337 N PHE A 20179.503 37.869 5.633 1.00 17.55原子1338 CA PHE A 20180.459 38.349 6.598 1.00 20.60原子1339 CB PHE A 20181.208 37.152 7.212 1.00 20.19原子1340 CG PHE A 20180.333 36.352 8.151 1.00 20.68原子1341 CD1 PHE A 20179.331 35.537 7.661 1.00 18.20原子1342 CD2 PHE A 20180.497 36.449 9.536 1.00 20.32原子1343 CE1 PHE A 20178.501 34.831 8.517 1.00 21.23原子1344 CE2 PHE A 20179.677 35.742 10.395 1.00 19.54原子1345 CZ PHE A 20178.674 34.934 9.891 1.00 20.02原子1346 C PHE A 20181.422 39.373 5.986 1.00 20.61原子1347 O PHE A 20182.518 39.578 6.498 1.00 21.05原子1348 N GLY A 20280.987 40.031 4.893 1.00 22.55原子1349 CA GLY A 20281.808 41.041 4.226 1.00 21.39原子1350 C GLY A 20281.992 42.289 5.059 1.00 21.03原子1351 O GLY A 20282.936 43.038 4.873 1.00 19.70原子1352 N SER A 20381.097 42.499 6.003 1.00 23.29原子1353 CA SER A 20381.179 43.643 6.897 1.00 24.09原子1354 CB SER A 20379.785 44.251 7.056 1.00 24.42原子1355 OG SER A 20379.469 45.139 6.002 1.00 25.73原子1356 C SER A 20381.696 43.202 8.290 1.00 23.68原子1357 O SER A 20381.769 44.013 9.209 1.00 26.83原子1358 N ALA A 20481.993 41.910 8.442 1.00 23.06原子1359 CA ALA A 20482.435 41.321 9.722 1.00 23.57原子1360 CB ALA A 20482.359 39.806 9.679 1.00 21.25原子1361 C ALA A 20483.812 41.774 10.170 1.00 23.86原子1362 O ALA A 20484.722 41.929 9.364 1.00 25.34原子1363 N LYS A 20583.957 42.001 11.477 1.00 25.35原子1364 CA LYS A 20585.227 42.468 12.029 1.00 25.22原子1365 CB LYS A 20585.278 43.999 11.925 1.00 22.62原子1366 CG LYS A 20586.640 44.627 12.196 1.00 23.08原子1367 CD LYS A 20586.596 46.131 11.957 1.00 24.63原子1368 CE LYS A 20587.502 46.906 12.902 1.00 25.30原子1369 NZ LYS A 20588.938 46.568 12.721 1.00 27.91原子1370 C LYS A 20585.413 42.062 13.488 1.00 26.41原子1371 O LYS A 20584.499 42.145 14.298 1.00 26.55原子1372 N GLN A 20686.628 41.698 13.830 1.00 28.82原子1373 CA GLN A 20686.934 41.382 15.205 1.00 29.31原子1374 CB GLN A 20688.113 40.422 15.285 1.00 32.58原子1375 CG GLN A 20687.965 39.376 16.374 1.00 37.25原子1376 CD GLN A 20689.190 38.506 16.507 1.00 40.73原子1377 OE1 GLN A 20690.207 38.912 17.088 1.00 43.91原子1378 NE2 GLN A 20689.105 37.300 15.965 1.00 43.70原子1379 C GLN A 20687.284 42.701 15.882 1.00 26.36原子1380 O GLN A 20688.311 43.291 15.588 1.00 25.43原子1381 N LEU A 20786.410 43.193 16.746 1.00 26.35原子1382 CA LEU A 20786.677 44.474 17.404 1.00 26.99原子1383 CB LEU A 20785.415 45.060 18.048 1.00 26.08原子1384 CG LEU A 20784.203 45.273 17.119 1.00 29.98原子1385 CD1 LEU A 20783.250 46.312 17.693 1.00 27.89
原子1386 CD2 LEU A 20784.637 45.683 15.719 1.00 28.11原子1387 CLEU A 20787.845 44.359 18.396 1.00 26.56原子1388 OLEU A 20787.995 43.337 19.067 1.00 27.11原子1389 NVAL A 20888.684 45.399 18.448 1.00 27.33原子1390 CA VAL A 20889.852 45.436 19.332 1.00 29.22原子1391 CB VAL A 20891.197 45.028 18.665 1.00 30.94原子1392 CG1 VAL A 20890.973 44.129 17.448 1.00 31.76原子1393 CG2 VAL A 20892.055 46.232 18.314 1.00 31.13原子1394 CVAL A 20889.948 46.776 20.063 1.00 29.36原子1395 OVAL A 20889.664 47.830 19.483 1.00 27.20原子1396 NARG A 20990.295 46.679 21.365 1.00 30.74原子1397 CA ARG A 20990.397 47.813 22.319 1.00 30.09原子1398 CB ARG A 20991.437 47.498 23.408 1.00 30.05原子1399 CG ARG A 20990.988 47.859 24.823 1.00 29.36原子1400 CD ARG A 20990.443 49.276 24.922 1.00 23.91原子1401 NE ARG A 20990.796 49.941 26.198 1.00 20.44原子1402 CZ ARG A 20989.905 50.504 27.022 1.00 18.05原子1403 NH1 ARG A 20988.609 50.282 26.872 1.00 11.51原子1404 NH2 ARG A 20990.318 51.296 28.016 1.00 22.90原子1405 CARG A 20990.690 49.192 21.714 1.00 30.73原子1406 OARG A 20989.804 50.061 21.696 1.00 35.19原子1407 NGLY A 21091.928 49.435 21.303 1.00 30.36原子1408 CA GLY A 21092.268 50.767 20.800 1.00 31.43原子1409 CGLY A 21092.263 50.913 19.282 1.00 31.78原子1410 OGLY A 21093.049 51.685 18.732 1.00 30.36原子1411 NGLU A 21191.381 50.184 18.615 1.00 30.86原子1412 CA GLU A 21191.287 50.246 17.162 1.00 29.71原子1413 CB GLU A 21191.453 48.851 16.576 1.00 31.43原子1414 CG GLU A 21192.494 48.766 15.482 1.00 35.03原子1415 CD GLU A 21192.396 47.475 14.708 1.00 36.69原子1416 OE1 GLU A 21193.283 46.614 14.883 1.00 39.03原子1417 OE2 GLU A 21191.427 47.319 13.936 1.00 37.36原子1418 CGLU A 21189.958 50.842 16.715 1.00 25.76原子1419 OGLU A 21188.919 50.217 16.864 1.00 26.05原子1420 NPRO A 21289.980 52.052 16.146 1.00 23.98原子1421 CD PRO A 21291.187 52.863 15.912 1.00 25.11原子1422 CA PRO A 21288.766 52.713 15.662 1.00 25.74原子1423 CB PRO A 21289.262 54.039 15.068 1.00 25.32原子1424 CG PRO A 21290.636 54.232 15.615 1.00 26.73原子1425 CPRO A 21288.067 51.890 14.576 1.00 24.55原子1426 OPRO A 21288.708 51.170 13.811 1.00 23.81原子1427 NASN A 21386.756 52.012 14.530 1.00 23.69原子1428 CA ASN A 21385.929 51.321 13.565 1.00 21.45原子1429 CB ASN A 21385.036 50.272 14.240 1.00 21.67原子1430 CG ASN A 21385.724 49.456 15.309 1.00 23.99原子1431 OD1 ASN A 21386.444 48.509 15.011 1.00 22.92原子1432 ND2 ASN A 21385.489 49.819 16.581 1.00 25.34原子1433 CASN A 21385.045 52.347 12.887 1.00 21.95原子1434 OASN A 21384.634 53.328 13.525 1.00 18.41原子1435 NVAL A 21484.737 52.133 11.593 1.00 21.29原子1436 CA VAL A 21483.878 53.079 10.875 1.00 18.80原子1437 CB VAL A 21483.896 52.867 9.333 1.00 20.83原子1438 CG1 VAL A 21485.286 53.089 8.776 1.00 18.29原子1439 CG2 VAL A 21483.399 51.474 8.972 1.00 17.72
原子1440 C VAL A 21482.450 52.99611.399 1.00 16.35原子1441 O VAL A 21481.946 51.90911.662 1.00 15.23原子1442 N SER A 21581.819 54.15211.565 1.00 17.03原子1443 CA SER A 21580.451 54.24412.092 1.00 17.65原子1444 CB SER A 21580.234 55.60912.752 1.00 17.01原子1445 OG SER A 21581.119 56.58112.212 1.00 20.75原子1446 C SER A 21579.374 54.02211.035 1.00 18.35原子1447 O SER A 21578.277 53.57011.349 1.00 14.87原子1448 N PTR A 21679.699 54.3299.785 1.00 19.96原子1449 CA PTR A 21678.779 54.4328.719 1.00 23.18原子1450 CB PTR A 21678.923 55.1957.630 1.00 24.24原子1451 CG PTR A 21677.794 55.4166.633 1.00 24.41原子1452 CD1 PTR A 21676.957 56.5136.749 1.00 23.89原子1453 CE1 PTR A 21675.931 56.7385.847 1.00 25.55原子1454 CD2 PTR A 21677.573 54.5315.571 1.00 24.95原子1455 CE2 PTR A 21676.541 54.7464.655 1.00 27.09原子1456 CZ PTR A 21675.718 55.8524.802 1.00 26.51原子1457 OH PTR A 21674.692 56.0943.906 1.00 23.68原子1458 C PTR A 21678.697 52.7598.113 1.00 22.70原子1459 O PTR A 21679.483 52.5457.136 1.00 23.40原子1460 P PTR A 21673.386 55.2463.955 1.00 25.02原子1461 O1P PTR A 21672.673 55.5802.615 1.00 26.72原子1462 O2P PTR A 21672.550 55.8445.109 1.00 24.99原子1463 O3P PTR A 21673.633 53.7894.116 1.00 26.79原子1464 N ILE A 21778.412 51.8259.040 1.00 22.92原子1465 CA ILE A 21778.245 50.4328.679 1.00 22.89原子1466 CB ILE A 21779.151 49.5119.482 1.00 24.36原子1467 CG2 ILE A 21780.338 49.0758.646 1.00 24.92原子1468 CG1 ILE A 21779.620 50.21510.755 1.00 26.42原子1469 CD1 ILE A 21778.508 50.52711.726 1.00 25.66原子1470 C ILE A 21776.788 50.0568.867 1.00 22.46原子1471 O ILE A 21775.904 50.9248.917 1.00 24.48原子1472 N CYS A 21876.529 48.7278.924 1.00 23.13原子1473 CA CYS A 21875.205 48.1119.040 1.00 24.75原子1474 CB CYS A 21874.546 48.49010.371 1.00 24.22原子1475 SG CYS A 21875.331 47.76111.851 1.00 27.07原子1476 C CYS A 21874.348 48.4587.777 1.00 25.17原子1477 O CYS A 21874.899 48.9716.801 1.00 30.86原子1478 N SER A 21973.039 48.1937.713 1.00 23.61原子1479 CA SER A 21972.243 48.7466.594 1.00 21.63原子1480 CB SER A 21971.262 47.7895.922 1.00 13.51原子1481 OG SER A 21970.190 48.4935.322 1.00 22.93原子1482 C SER A 21971.469 49.8067.342 1.00 22.86原子1483 O SER A 21971.084 49.5498.473 1.00 24.73原子1484 N ARG A 22071.224 50.9836.779 1.00 21.86原子1485 CA ARG A 22070.550 52.1027.471 1.00 22.08原子1486 CB ARG A 22070.072 53.1046.426 1.00 19.58原子1487 CG ARG A 22069.553 54.4037.038 1.00 19.73原子1488 CD ARG A 22068.658 55.1746.086 1.00 21.19原子1489 NE ARG A 22069.359 55.6474.880 1.00 19.24原子1490 CZ ARG A 22068.811 55.7543.687 1.00 22.72原子1491 NH1 ARG A 22067.545 55.4373.505 1.00 19.16原子1492 NH2 ARG A 22069.533 56.1742.652 1.00 19.72原子1493 C ARG A 22069.395 51.7978.423 1.00 22.38
原子1494 O ARG A 22069.378 52.292 9.540 1.00 25.19原子1495 N TYR A 22168.431 50.981 8.002 1.00 20.53原子1496 CA TYR A 22167.262 50.685 8.830 1.00 20.22原子1497 CB TYR A 22166.239 49.867 8.042 1.00 21.19原子1498 CG TYR A 22165.495 50.609 6.941 1.00 24.83原子1499 CD1 TYR A 22164.514 49.960 6.207 1.00 24.53原子1500 CE1 TYR A 22163.826 50.608 5.193 1.00 27.31原子1501 CD2 TYR A 22165.773 51.938 6.629 1.00 24.67原子1502 CE2 TYR A 22165.091 52.594 5.619 1.00 27.03原子1503 CZ TYR A 22164.117 51.920 4.903 1.00 27.02原子1504 OH TYR A 22163.421 52.568 3.907 1.00 27.95原子1505 C TYR A 22167.605 49.936 10.144 1.00 19.96原子1506 O TYR A 22166.871 50.021 11.121 1.00 17.56原子1507 N TYR A 22268.704 49.203 10.115 1.00 16.92原子1508 CA TYR A 22269.162 48.374 11.222 1.00 17.59原子1509 CB TYR A 22269.437 46.955 10.655 1.00 16.55原子1510 CG TYR A 22268.318 46.531 9.726 1.00 17.84原子1511 CD1 TYR A 22267.135 46.032 10.241 1.00 15.19原子1512 CE1 TYR A 22266.066 45.763 9.425 1.00 17.87原子1513 CD2 TYR A 22268.407 46.741 8.336 1.00 17.61原子1514 CE2 TYR A 22267.340 46.451 7.499 1.00 17.42原子1515 CZ TYR A 22266.168 45.972 8.049 1.00 20.27原子1516 OH TYR A 22265.076 45.732 7.251 1.00 17.86原子1517 C TYR A 22270.410 48.952 11.885 1.00 14.52原子1518 O TYR A 22271.144 48.242 12.546 1.00 18.29原子1519 N ARG A 22370.659 50.231 11.670 1.00 13.60原子1520 CA ARG A 22371.846 50.892 12.198 1.00 16.34原子1521 CB ARG A 22372.176 52.051 11.286 1.00 14.55原子1522 CG ARG A 22373.552 52.627 11.459 1.00 14.37原子1523 CD ARG A 22373.863 53.596 10.318 1.00 19.59原子1524 NE ARG A 22374.359 52.892 9.127 1.00 18.67原子1525 CZ ARG A 22374.179 53.327 7.859 1.00 20.50原子1526 NH1 ARG A 22373.492 54.430 7.613 1.00 14.45原子1527 NH2 ARG A 22374.693 52.643 6.844 1.00 19.01原子1528 C ARG A 22371.647 51.417 13.633 1.00 16.61原子1529 0 ARG A 22370.656 52.093 13.917 1.00 17.43原子1530 N ALA A 22472.609 51.109 14.506 1.00 18.18原子1531 CA ALA A 22472.582 51.543 15.927 1.00 18.38原子1532 CB ALA A 22473.711 50.884 16.686 1.00 14.89原子1533 C ALA A 22472.704 53.055 16.042 1.00 20.36原子1534 O ALA A 22473.455 53.686 15.289 1.00 22.22原子1535 N PRO A 22571.985 53.669 16.994 1.00 21.61原子1536 CD PRO A 22571.087 52.998 17.959 1.00 23.19原子1537 CA PRO A 22572.028 55.114 17.194 1.00 20.61原子1538 CB PRO A 22571.154 55.367 18.446 1.00 23.43原子1539 CG PRO A 22570.894 54.023 19.050 1.00 20.97原子1540 C PRO A 22573.437 55.664 17.383 1.00 19.98原子1541 O PRO A 22573.749 56.744 16.870 1.00 21.76原子1542 N GLU A 22674.297 54.942 18.109 1.00 17.57原子1543 CA GLU A 22675.675 55.421 18.336 1.00 18.64原子1544 CB GLU A 22676.463 54.477 19.247 1.00 18.48原子1545 CG GLU A 22675.604 53.678 20.196 1.00 21.27原子1546 CD GLU A 22675.033 52.420 19.594 1.00 14.40原子1547 OE1 GLU A 22673.840 52.402 19.337 1.00 18.85
原子1548 OE2 GLU A 22675.766 51.443 19.432 1.00 18.95原子1549 C GLU A 22676.430 55.578 17.018 1.00 17.88原子1550 O GLU A 22677.238 56.487 16.856 1.00 16.85原子1551 N LEU A 22776.155 54.676 16.078 1.00 17.24原子1552 CA LEU A 22776.799 54.723 14.761 1.00 15.64原子1553 CB LEU A 22776.282 53.558 13.910 1.00 12.39原子1554 CG LEU A 22777.119 52.296 13.831 1.00 9.07原子1555 CD1 LEU A 22778.440 52.388 14.548 1.00 10.12原子1556 CD2 LEU A 22776.339 51.080 14.233 1.00 8.78原子1557 C LEU A 22776.454 56.053 14.097 1.00 10.59原子1558 O LEU A 22777.311 56.733 13.569 1.00 15.04原子1559 N ILE A 22875.192 56.427 14.180 1.00 13.35原子1560 CA ILE A 22874.689 57.682 13.630 1.00 14.10原子1561 CB ILE A 22873.152 57.723 13.726 1.00 14.29原子1562 CG2 ILE A 22872.568 58.876 12.919 1.00 16.27原子1563 CG1 ILE A 22872.572 56.384 13.248 1.00 12.90原子1564 CD1 ILE A 22871.062 56.299 13.299 1.00 10.99原子1565 C ILE A 22875.347 58.910 14.301 1.00 20.58原子1566 O ILE A 22875.481 59.994 13.676 1.00 18.93原子1567 N PHE A 22975.805 58.728 15.568 1.00 21.36原子1568 CA PHE A 22976.498 59.793 16.316 1.00 20.89原子1569 CB PHE A 22976.331 59.595 17.837 1.00 19.68原子1570 CG PHE A 22975.075 60.197 18.363 1.00 14.10原子1571 CD1 PHE A 22973.934 59.446 18.471 1.00 13.94原子1572 CD2 PHE A 22975.039 61.527 18.738 1.00 15.54原子1573 CE1 PHE A 22972.763 60.003 18.949 1.00 14.85原子1574 CE2 PHE A 22973.881 62.093 19.219 1.00 14.22原子1575 CZ PHE A 22972.737 61.324 19.326 1.00 14.85原子1576 C PHE A 22977.977 59.837 15.956 1.00 22.21原子1577 O PHE A 22978.751 60.572 16.570 1.00 21.85原子1578 N GLY A 23078.369 59.050 14.937 1.00 23.72原子1579 CA GLY A 23079.756 59.023 14.484 1.00 22.28原子1580 C GLY A 23080.677 58.185 15.357 1.00 21.94原子1581 O GLY A 23081.896 58.282 15.256 1.00 20.64原子1582 N ALA A 23180.104 57.378 16.226 1.00 23.66原子1583 CA ALA A 23180.899 56.549 17.133 1.00 23.44原子1584 CB ALA A 23179.975 55.750 18.052 1.00 24.45原子1585 C ALA A 23181.813 55.597 16.381 1.00 22.95原子1586 O ALA A 23181.337 54.811 15.554 1.00 23.77原子1587 N THR A 23283.106 55.653 16.711 1.00 20.60原子1588 CA THR A 23284.135 54.789 16.131 1.00 22.86原子1589 CB THR A 23285.356 55.607 15.681 1.00 24.85原子1590 OG1 THR A 23285.772 56.528 16.687 1.00 31.43原子1591 CG2 THR A 23285.123 56.392 14.396 1.00 25.36原子1592 C THR A 23284.555 53.706 17.126 1.00 21.66原子1593 O THR A 23285.235 52.744 16.777 1.00 20.51原子1594 N ASP A 23384.110 53.873 18.376 1.00 22.55原子1595 CA ASP A 23384.381 52.930 19.470 1.00 19.98原子1596 CB ASP A 23385.078 53.649 20.640 1.00 24.10原子1597 CG ASP A 23385.181 52.837 21.952 1.00 26.33原子1598 OD1 ASP A 23385.760 53.378 22.917 1.00 26.39原子1599 OD2 ASP A 23384.685 51.687 22.016 1.00 22.93原子1600 C ASP A 23383.059 52.339 19.886 1.00 17.40原子1601 O ASP A 23382.259 52.976 20.577 1.00 19.65
原子1602 N TYR A 23482.803 51.144 19.399 1.00 15.12原子1603 CA TYR A 23481.563 50.485 19.662 1.00 11.50原子1604 CB TYR A 23480.512 50.868 18.619 1.00 19.52原子1605 CG TYR A 23480.930 50.570 17.186 1.00 20.59原子1606 CD1 TYR A 23480.771 49.299 16.656 1.00 22.28原子1607 CE1 TYR A 23481.122 49.021 15.339 1.00 26.03原子1608 CD2 TYR A 23481.458 51.566 16.374 1.00 20.66原子1609 CE2 TYR A 23481.818 51.301 15.053 1.00 24.62原子1610 CZ TYR A 23481.642 50.028 14.543 1.00 24.61原子1611 OH TYR A 23481.992 49.752 13.244 1.00 26.95原子1612 C TYR A 23481.754 48.998 19.778 1.00 7.69原子1613 O TYR A 23482.839 48.483 19.622 1.00 11.49原子1614 N THR A 23580.724 48.307 20.128 1.00 8.06原子1615 CA THR A 23580.872 46.896 20.355 1.00 9.69原子1616 CB THR A 23580.733 46.652 21.885 1.00 11.03原子1617 OG1 THR A 23579.364 46.654 22.225 1.00 8.81原子1618 CG2 THR A 23581.403 47.714 22.735 1.00 8.93原子1619 C THR A 23579.809 46.101 19.661 1.00 11.93原子1620 O THR A 23578.992 46.638 18.932 1.00 15.94原子1621 N SER A 23679.846 44.807 19.942 1.00 16.37原子1622 CA SER A 23678.943 43.800 19.422 1.00 16.47原子1623 CB SER A 23679.388 42.436 19.914 1.00 17.79原子1624 OG SER A 23680.708 42.187 19.457 1.00 23.99原子1625 C SER A 23677.485 44.056 19.732 1.00 16.40原子1626 O SER A 23676.613 43.391 19.145 1.00 15.77原子1627 N SER A 23777.203 45.033 20.625 1.00 16.08原子1628 CA SER A 23775.805 45.386 20.967 1.00 11.57原子1629 CB SER A 23775.718 46.324 22.176 1.00 8.80原子1630 OG SER A 23776.688 47.342 22.069 1.00 9.16原子1631 C SER A 23775.123 46.065 19.768 1.00 10.30原子1632 O SER A 23773.898 46.129 19.703 1.00 7.31原子1633 N ILE A 23875.914 46.546 18.803 1.00 11.34原子1634 CA ILE A 23875.259 47.142 17.602 1.00 14.03原子1635 CB ILE A 23876.223 47.862 16.625 1.00 14.92原子1636 CG2 ILE A 23876.952 49.028 17.293 1.00 14.36原子1637 CG1 ILE A 23877.197 46.891 15.967 1.00 13.71原子1638 CD1 ILE A 23877.847 47.457 14.706 1.00 15.09原子1639 C ILE A 23874.478 46.039 16.869 1.00 10.92原子1640 O ILE A 23873.360 46.251 16.437 1.00 14.44原子1641 N ASP A 23975.053 44.828 16.796 1.00 11.90原子1642 CA ASP A 23974.359 43.686 16.165 1.00 12.25原子1643 CB ASP A 23975.237 42.412 16.174 1.00 10.53原子1644 CG ASP A 23976.350 42.470 15.144 1.00 12.86原子1645 OD1 ASP A 23976.333 43.412 14.319 1.00 13.57原子1646 OD2 ASP A 23977.244 41.584 15.165 1.00 13.48原子1647 C ASP A 23973.047 43.422 16.859 1.00 14.25原子1648 O ASP A 23972.034 43.071 16.204 1.00 14.57原子1649 N VAL A 24073.045 43.626 18.220 1.00 13.55原子1650 CA VAL A 24071.833 43.435 19.024 1.00 7.80原子1651 CB VAL A 24072.101 43.523 20.575 1.00 9.66原子1652 CG1 VAL A 24070.786 43.446 21.328 1.00 5.00原子1653 CG2 VAL A 24073.036 42.420 21.023 1.00 9.17原子1654 C VAL A 24070.749 44.429 18.640 1.00 5.00原子1655 O VAL A 24069.593 44.071 18.522 1.00 9.41
原子1656 N TRP A 24171.114 45.677 18.441 1.00 8.68原子1657 CA TRP A 24170.115 46.682 18.039 1.00 8.70原子1658 CB TRP A 24170.785 48.063 17.942 1.00 12.59原子1659 CG TRP A 24169.907 49.159 17.376 1.00 13.08原子1660 CD2 TRP A 24169.086 50.093 18.105 1.00 17.91原子1661 CE2 TRP A 24168.435 50.922 17.145 1.00 16.74原子1662 CE3 TRP A 24168.824 50.309 19.466 1.00 15.70原子1663 CD1 TRP A 24169.738 49.474 16.053 1.00 16.26原子1664 NE1 TRP A 24168.841 50.515 15.916 1.00 15.52原子1665 CZ2 TRP A 24167.552 51.940 17.507 1.00 19.78原子1666 CZ3 TRP A 24167.952 51.317 19.820 1.00 17.55原子1667 CH2 TRP A 24167.323 52.123 18.847 1.00 19.91原子1668 C TRP A 24169.501 46.257 16.672 1.00 9.05原子1669 O TRP A 24168.294 46.321 16.466 1.00 8.77原子1670 N SER A 24270.357 45.787 15.756 1.00 9.89原子1671 CA SER A 24269.900 45.326 14.419 1.00 11.70原子1672 CB SER A 24271.097 44.938 13.521 1.00 5.00原子1673 OG SER A 24271.927 46.063 13.328 1.00 7.55原子1674 C SER A 24268.926 44.177 14.578 1.00 11.06原子1675 O SER A 24267.824 44.224 14.029 1.00 13.94原子1676 N ALA A 24369.305 43.169 15.398 1.00 13.36原子1677 CA ALA A 24368.402 42.036 15.672 1.00 14.87原子1678 CB ALA A 24369.036 41.047 16.635 1.00 16.56原子1679 C ALA A 24367.075 42.532 16.211 1.00 15.72原子1680 O ALA A 24366.005 42.050 15.816 1.00 17.54原子1681 N GLY A 24467.130 43.540 17.093 1.00 17.52原子1682 CA GLY A 24465.897 44.097 17.620 1.00 16.24原子1683 C GLY A 24465.090 44.768 16.518 1.00 16.45原子1684 O GLY A 24463.877 44.692 16.493 1.00 14.27原子1685 N CYS A 24565.786 45.411 15.585 1.00 18.79原子1686 CA CYS A 24565.118 46.062 14.447 1.00 19.45原子1687 CB CYS A 24566.139 46.841 13.614 1.00 16.90原子1688 SG CYS A 24566.564 48.451 14.319 1.00 17.99原子1689 C CYS A 24564.407 44.993 13.608 1.00 17.15原子1690 O CYS A 24563.258 45.147 13.238 1.00 18.70原子1691 N VAL A 24665.078 43.872 13.389 1.00 17.86原子1692 CA VAL A 24664.478 42.754 12.668 1.00 19.17原子1693 CB VAL A 24665.465 41.586 12.519 1.00 16.94原子1694 CG1 VAL A 24664.803 40.416 11.810 1.00 16.17原子1695 CG2 VAL A 24666.713 42.023 11.797 1.00 20.27原子1696 C VAL A 24663.232 42.244 13.386 1.00 21.86原子1697 O VAL A 24662.177 42.028 12.758 1.00 22.61原子1698 N LEU A 24763.336 42.044 14.726 1.00 22.24原子1699 CA LEU A 24762.189 41.556 15.520 1.00 17.75原子1700 CB LEU A 24762.556 41.563 17.018 1.00 21.43原子1701 CG LEU A 24761.857 40.556 17.931 1.00 21.52原子1702 CD1 LEU A 24761.533 41.174 19.293 1.00 21.62原子1703 CD2 LEU A 24760.624 39.960 17.283 1.00 19.10原子1704 C LEU A 24760.984 42.438 15.331 1.00 16.58原子1705 O LEU A 24759.882 41.963 15.074 1.00 17.00原子1706 N ALA A 24861.190 43.732 15.508 1.00 17.51原子1707 CA ALA A 24860.117 44.718 15.399 1.00 17.76原子1708 CB ALA A 24860.675 46.096 15.718 1.00 13.92原子1709 C ALA A 24859.479 44.694 14.001 1.00 19.04
原子1710 O ALA A 24858.248 44.674 13.868 1.00 19.92原子1711 N GLU A 24960.326 44.675 12.956 1.00 19.92原子1712 CA GLU A 24959.836 44.623 11.570 1.00 18.88原子1713 CB GLU A 24961.017 44.571 10.588 1.00 22.05原子1714 CG GLU A 24960.629 44.8709.143 1.00 24.95原子1715 CD GLU A 24961.815 44.8888.200 1.00 26.40原子1716 OE1 GLU A 24962.860 45.4618.573 1.00 27.15原子1717 OE2 GLU A 24961.699 44.3307.086 1.00 26.13原子1718 C GLU A 24958.942 43.404 11.383 1.00 16.29原子1719 O GLU A 24957.857 43.488 10.842 1.00 16.64原子1720 N LEU A 25059.391 42.265 11.872 1.00 18.94原子1721 CA LEU A 25058.611 41.041 11.765 1.00 19.63原子1722 CB LEU A 25059.421 39.855 12.227 1.00 21.77原子1723 CG LEU A 25060.508 39.410 11.255 1.00 21.90原子1724 CD1 LEU A 25061.205 38.171 11.789 1.00 22.15原子1725 CD2 LEU A 25059.894 39.1389.882 1.00 20.69原子1726 C LEU A 25057.257 41.102 12.453 1.00 21.42原子1727 O LEU A 25056.302 40.428 12.029 1.00 19.97原子1728 N LEU A 25157.153 41.914 13.513 1.00 22.22原子1729 CA LEU A 25155.886 42.050 14.226 1.00 22.60原子1730 CB LEU A 25156.111 42.386 15.712 1.00 21.94原子1731 CG LEU A 25157.047 41.470 16.505 1.00 23.22原子1732 CD1 LEU A 25157.607 42.223 17.699 1.00 22.21原子1733 CD2 LEU A 25156.323 40.209 16.955 1.00 20.09原子1734 C LEU A 25155.039 43.150 13.598 1.00 22.16原子1735 O LEU A 25153.833 43.063 13.578 1.00 21.07原子1736 N LEU A 25255.699 44.193 13.109 1.00 24.69原子1737 CA LEU A 25255.026 45.333 12.497 1.00 27.50原子1738 CB LEU A 25255.990 46.519 12.422 1.00 28.83原子1739 CG LEU A 25255.884 47.597 13.506 1.00 31.65原子1740 CD1 LEU A 25254.636 47.423 14.368 1.00 29.59原子1741 CD2 LEU A 25257.143 47.620 14.358 1.00 30.57原子1742 C LEU A 25254.532 45.033 11.082 1.00 28.49原子1743 O LEU A 25253.475 45.518 10.676 1.00 29.11原子1744 N GLY A 25355.328 44.283 10.320 1.00 29.33原子1745 CA GLY A 25354.978 43.9978.933 1.00 29.31原子1746 C GLY A 25355.609 45.0248.000 1.00 30.52原子1747 O GLY A 25355.243 45.1216.829 1.00 31.13原子1748 N GLN A 25456.567 45.7958.548 1.00 31.15原子1749 CA GLN A 25457.308 46.8467.841 1.00 30.85原子1750 CB GLN A 25456.375 47.9917.462 1.00 31.46原子1751 CG GLN A 25455.850 48.7788.651 1.00 30.44原子1752 CD GLN A 25454.831 49.8158.251 1.00 29.54原子1753 OE1 GLN A 25455.153 50.9848.096 1.00 30.99原子1754 NE2 GLN A 25453.591 49.3918.089 1.00 32.26原子1755 C GLN A 25458.416 47.3788.747 1.00 30.06原子1756 O GLN A 25458.281 47.3239.967 1.00 31.81原子1757 N PR0 A 25559.525 47.8968.182 1.00 28.75原子1758 CD PRO A 25559.786 48.0036.736 1.00 29.77原子1759 CA PRO A 25560.639 48.4228.978 1.00 27.17原子1760 CB PRO A 25561.503 49.1467.955 1.00 28.27原子1761 CG PRO A 25561.229 48.4216.674 1.00 30.04原子1762 C PRO A 25560.166 49.386 10.059 1.00 25.98原子1763 O PRO A 25559.328 50.2629.814 1.00 24.39
原子1764 N ILE A 25660.699 49.214 11.265 1.00 23.84原子1765 CA ILE A 25660.301 50.071 12.381 1.00 20.82原子1766 CB ILE A 25660.640 49.441 13.753 1.00 18.45原子1767 CG2 ILE A 25662.134 49.177 13.867 1.00 14.74原子1768 CG1 ILE A 25660.145 50.352 14.887 1.00 20.07原子1769 CD1 ILE A 25659.894 49.626 16.196 1.00 22.63原子1770 C ILE A 25660.849 51.496 12.267 1.00 18.31原子1771 O ILE A 25660.143 52.459 12.578 1.00 19.96原子1772 N PHE A 25762.092 51.623 11.832 1.00 17.97原子1773 CA PHE A 25762.735 52.925 11.683 1.00 19.27原子1774 CB PHE A 25763.953 53.041 12.641 1.00 20.54原子1775 CG PHE A 25763.683 52.674 14.091 1.00 18.05原子1776 CD1 PHE A 25762.675 53.297 14.806 1.00 18.44原子1777 CD2 PHE A 25764.462 51.729 14.740 1.00 19.25原子1778 CE1 PHE A 25762.449 52.982 16.145 1.00 19.85原子1779 CE2 PHE A 25764.235 51.405 16.083 1.00 19.59原子1780 CZ PHE A 25763.229 52.038 16.779 1.00 14.97原子1781 C PHE A 25763.194 53.151 10.217 1.00 19.61原子1782 O PHE A 25764.343 52.926 9.880 1.00 19.87原子1783 N PRO A 25862.297 53.588 9.329 1.00 21.18原子1784 CD PRO A 25860.880 53.883 9.604 1.00 22.67原子1785 CA PRO A 25862.632 53.821 7.908 1.00 24.51原子1786 CB PRO A 25861.266 53.704 7.242 1.00 22.28原子1787 CG PRO A 25860.350 54.313 8.249 1.00 25.70原子1788 C PRO A 25863.204 55.207 7.656 1.00 23.60原子1789 O PRO A 25862.481 56.116 7.287 1.00 25.61原子1790 N GLY A 25964.496 55.361 7.842 1.00 26.01原子1791 CA GLY A 25965.120 56.657 7.608 1.00 29.65原子1792 C GLY A 25965.385 56.916 6.121 1.00 31.04原子1793 O GLY A 25965.717 55.985 5.389 1.00 30.01原子1794 N ASP A 26065.232 58.181 5.684 1.00 31.88原子1795 CA ASP A 26065.450 58.560 4.282 1.00 33.04原子1796 CB ASP A 26064.452 59.635 3.814 1.00 33.94原子1797 CG ASP A 26064.645 60.997 4.466 1.00 35.58原子1798 OD1 ASP A 26065.719 61.250 5.023 1.00 35.78原子1799 OD2 ASP A 26063.713 61.819 4.407 1.00 38.52原子1800 C ASP A 26066.897 58.962 4.008 1.00 32.63原子1801 O ASP A 26067.258 59.313 2.875 1.00 33.30原子1802 N SER A 26167.709 58.884 5.056 1.00 31.36原子1803 CA SER A 26169.145 59.189 5.043 1.00 30.25原子1804 CB SER A 26169.435 60.692 4.935 1.00 32.71原子1805 OG SER A 26169.062 61.392 6.117 1.00 33.13原子1806 C SER A 26169.769 58.623 6.308 1.00 28.76原子1807 O SER A 26169.058 58.090 7.146 1.00 28.26原子1808 N GLY A 26271.092 58.725 6.423 1.00 28.70原子1809 CA GLY A 26271.808 58.208 7.576 1.00 25.78原子1810 C GLY A 26271.576 59.021 8.851 1.00 26.60原子1811 O GLY A 26271.723 58.491 9.959 1.00 23.39原子1812 N VAL A 26371.209 60.304 8.681 1.00 25.15原子1813 CA VAL A 26370.944 61.211 9.799 1.00 23.70原子1814 CB VAL A 26371.429 62.643 9.489 1.00 24.57原子1815 CG1 VAL A 26370.777 63.679 10.400 1.00 26.49原子1816 CG2 VAL A 26372.940 62.719 9.585 1.00 24.46原子1817 C VAL A 26369.463 61.213 10.126 1.00 23.60
原子1818 O VAL A 26369.074 61.339 1.298 1.00 23.21原子1819 N ASP A 26468.635 61.037 9.086 1.00 18.63原子1820 CA ASP A 26467.189 60.977 9.243 1.00 16.12原子1821 CB ASP A 26466.516 61.007 7.873 1.00 16.93原子1822 CG ASP A 26465.023 61.085 7.967 1.00 15.99原子1823 OD1 ASP A 26464.518 62.131 8.361 1.00 23.33原子1824 OD2 ASP A 26464.353 60.101 7.645 1.00 21.38原子1825 C ASP A 26466.799 59.688 9.956 1.00 14.34原子1826 O ASP A 26465.708 59.566 10.512 1.00 11.71原子1827 N GLN A 26567.712 58.739 9.919 1.00 13.50原子1828 CA GLN A 26567.543 57.453 10.551 1.00 16.78原子1829 CB GLN A 26568.761 56.593 10.222 1.00 15.08原子1830 CG GLN A 26568.718 55.172 10.751 1.00 22.06原子1831 CD GLN A 26567.534 54.379 10.241 1.00 24.38原子1832 OE1 GLN A 26566.925 54.718 9.216 1.00 26.93原子1833 NE2 GLN A 26567.195 53.317 10.957 1.00 25.58原子1834 C GLN A 26567.420 57.667 12.082 1.00 18.49原子1835 O GLN A 26566.649 56.981 12.750 1.00 17.65原子1836 N LEU A 26668.158 58.660 12.595 1.00 20.41原子1837 CA LEU A 26668.120 59.024 14.015 1.00 23.21原子1838 CB LEU A 26669.293 59.962 14.385 1.00 19.14原子1839 CG LEU A 26669.499 60.258 15.898 1.00 22.99原子1840 CD1 LEU A 26669.548 58.966 16.726 1.00 13.89原子1841 CD2 LEU A 26670.754 61.085 16.119 1.00 19.84原子1842 C LEU A 26666.774 59.677 14.342 1.00 24.24原子1843 O LEU A 26666.171 59.387 15.394 1.00 25.95原子1844 N VAL A 26766.284 60.541 13.428 1.00 20.54原子1845 CA VAL A 26764.997 61.209 13.623 1.00 21.02原子1846 CB VAL A 26764.661 62.250 12.512 1.00 22.65原子1847 CG1 VAL A 26763.242 62.786 12.679 1.00 20.94原子1848 CG2 VAL A 26765.659 63.397 12.492 1.00 23.85原子1849 C VAL A 26763.867 60.202 13.712 1.00 21.30原子1850 O VAL A 26762.916 60.389 14.487 1.00 21.41原子1851 N GLU A 26863.961 59.136 12.904 1.00 21.14原子1852 CA GLU A 26862.940 58.087 12.880 1.00 21.32原子1853 CB GLU A 26863.188 57.109 11.714 1.00 20.56原子1854 CG GLU A 26862.780 57.634 10.337 1.00 19.52原子1855 CD GLU A 26861.323 58.007 10.270 1.00 15.74原子1856 OE1 GLU A 26861.022 59.170 9.958 1.00 19.10原子1857 OE2 GLU A 26860.483 57.137 10.542 1.00 21.33原子1858 C GLU A 26862.947 57.315 14.203 1.00 20.77原子1859 O GLU A 26861.900 56.973 14.744 1.00 21.32原子1860 N ILE A 26964.133 57.042 14.704 1.00 20.21原子1861 CA ILE A 26964.272 56.315 15.965 1.00 22.93原子1862 CB ILE A 26965.753 56.013 16.272 1.00 21.57原子1863 CG2 ILE A 26965.916 55.490 17.704 1.00 21.70原子1864 CG1 ILE A 26966.320 55.012 15.261 1.00 16.65原子1865 CD1 ILE A 26967.827 54.977 15.231 1.00 12.77原子1866 C ILE A 26963.680 57.149 17.106 1.00 22.44原子1867 O ILE A 26962.822 56.684 17.835 1.00 22.07原子1868 N ILE A 27064.150 58.393 17.208 1.00 24.28原子1869 CA ILE A 27063.711 59.347 18.209 1.00 26.56原子1870 CB ILE A 27064.358 60.727 17.967 1.00 24.36原子1871 CG2 ILE A 27063.698 61.791 18.831 1.00 27.65
原子1872 CG1 ILE A 27065.853 60.652 18.264 1.00 20.73原子1873 CD1 ILE A 27066.567 61.983 18.215 1.00 18.62原子1874 C ILE A 27062.195 59.480 18.234 1.00 29.28原子1875 O ILE A 27061.588 59.653 19.301 1.00 28.79原子1876 N LYS A 27161.591 59.401 17.054 1.00 29.05原子1877 CA LYS A 27160.144 59.519 16.903 1.00 28.68原子1878 CB LYS A 27159.815 59.543 15.402 1.00 32.12原子1879 CG LYS A 27158.345 59.527 15.052 1.00 35.46原子1880 CD LYS A 27158.159 59.612 13.536 1.00 39.81原子1881 CE LYS A 27158.964 60.767 12.942 1.00 39.81原子1882 NZ LYS A 27158.903 60.792 11.455 1.00 42.86原子1883 C LYS A 27159.414 58.393 17.625 1.00 28.22原子1884 O LYS A 27158.219 58.488 17.897 1.00 26.93原子1885 N VAL A 27260.144 57.334 17.950 1.00 28.27原子1886 CA VAL A 27259.578 56.195 18.655 1.00 27.38原子1887 CB VAL A 27259.837 54.878 17.904 1.00 27.95原子1888 CG1 VAL A 27259.334 53.688 18.710 1.00 27.27原子1889 CG2 VAL A 27259.184 54.908 16.531 1.00 26.96原子1890 C VAL A 27260.123 56.080 20.091 1.00 27.25原子1891 O VAL A 27259.361 55.807 21.012 1.00 28.50原子1892 N LEU A 27361.439 56.266 20.263 1.00 25.88原子1893 CA LEU A 27362.096 56.160 21.573 1.00 25.89原子1894 CB LEU A 27363.515 55.612 21.394 1.00 22.17原子1895 CG LEU A 27363.671 54.117 21.116 1.00 21.67原子1896 CD1 LEU A 27365.066 53.656 21.519 1.00 23.34原子1897 CD2 LEU A 27362.614 53.308 21.842 1.00 22.69原子1898 C LEU A 27362.198 57.510 22.304 1.00 27.83原子1899 O LEU A 27362.869 57.608 23.342 1.00 30.31原子1900 N GLY A 27461.577 58.545 21.746 1.00 26.13原子1901 CA GLY A 27461.641 59.866 22.327 1.00 23.58原子1902 C GLY A 27463.038 60.415 22.272 1.00 23.20原子1903 O GLY A 27463.972 59.679 22.001 1.00 24.94原子1904 N THR A 27563.194 61.706 22.523 1.00 23.62原子1905 CA THR A 27564.515 62.318 22.484 1.00 25.71原子1906 CB THR A 27564.440 63.805 22.849 1.00 24.96原子1907 OG1 THR A 2 75 63.379 64.466 22.191 1.00 27.34原子1908 CG2 THR A 27565.714 64.569 22.589 1.00 24.20原子1909 C THR A 27565.469 61.619 23.445 1.00 27.31原子1910 O THR A 27565.094 61.315 24.574 1.00 30.40原子1911 N PRO A 27666.723 61.365 23.019 1.00 27.93原子1912 CD PRO A 27667.267 61.693 21.677 1.00 26.71原子1913 CA PRO A 27667.717 60.727 23.868 1.00 27.45原子1914 CB PRO A 27668.783 60.280 22.871 1.00 27.30原子1915 CG PRO A 27668.711 61.288 21.774 1.00 25.15原子1916 C PRO A 27668.307 61.745 24.845 1.00 29.86原子1917 O PRO A 27668.482 62.925 24.497 1.00 28.23原子1918 N THR A 27768.617 61.296 26.068 1.00 28.52原子1919 CA THR A 27769.191 62.194 27.067 1.00 28.53原子1920 CB THR A 27768.948 61.688 28.498 1.00 27.08原子1921 OG1 THR A 27769.701 60.528 28.751 1.00 26.20原子1922 CG2 THR A 27767.504 61.380 28.816 1.00 26.96原子1923 C THR A 27770.675 62.348 26.833 1.00 29.01原子1924 O THR A 27771.296 61.502 26.175 1.00 29.53原子1925 N ARG A 27871.246 63.415 27.386 1.00 29.35
原子1926 CA ARG A 27872.676 63.671 27.257 1.00 31.97原子1927 CB ARG A 27873.041 64.986 27.950 1.00 35.10原子1928 CG ARG A 27874.393 65.536 27.537 1.00 39.53原子1929 CD ARG A 27875.396 65.452 28.681 1.00 44.28原子1930 NE ARG A 27875.067 66.386 29.763 1.00 45.67原子1931 CZ ARG A 27875.973 67.048 30.493 1.00 47.63原子1932 NH1 ARG A 27877.280 66.820 30.338 1.00 48.34原子1933 NH2 ARG A 27875.566 67.937 31.396 1.00 48.46原子1934 C ARG A 27873.490 62.515 27.850 1.00 31.24原子1935 O ARG A 27874.581 62.190 27.359 1.00 32.03原子1936 N GLU A 27972.937 61.888 28.895 1.00 29.06原子1937 CA GLU A 27973.574 60.749 29.555 1.00 28.36原子1938 CB GLU A 27972.823 60.403 30.847 1.00 29.62原子1939 CG GLU A 27973.360 59.189 31.601 1.00 33.37原子1940 CD GLU A 27972.382 58.696 32.669 1.00 37.46原子1941 OE1 GLU A 27972.139 57.462 32.746 1.00 38.36原子1942 OE2 GLU A 27971.849 59.544 33.423 1.00 37.26原子1943 C GLU A 27973.581 59.537 28.620 1.00 24.06原子1944 O GLU A 27974.582 58.865 28.468 1.00 23.16原子1945 N GLN A 28072.457 59.281 27.984 1.00 23.18原子1946 CA GLN A 28072.367 58.170 27.045 1.00 23.13原子1947 CB GLN A 28070.948 58.033 26.532 1.00 21.72原子1948 CG GLN A 28069.976 57.424 27.513 1.00 19.01原子1949 CD GLN A 28068.561 57.553 27.033 1.00 16.19原子1950 OE1 GLN A 28068.175 58.582 26.491 1.00 20.58原子1951 NE2 GLN A 28067.772 56.513 27.225 1.00 19.66原子1952 C GLN A 28073.322 58.407 25.869 1.00 22.75原子1953 O GLN A 28073.922 57.476 25.365 1.00 24.25原子1954 N ILE A 28173.462 59.668 25.460 1.00 24.22原子1955 CA ILE A 28174.349 60.044 24.346 1.00 26.13原子1956 CB ILE A 28174.150 61.514 23.913 1.00 25.19原子1957 CG2 ILE A 28175.294 61.981 23.010 1.00 27.25原子1958 CG1 ILE A 28172.804 61.683 23.216 1.00 24.20原子1959 CD1 ILE A 28172.269 63.097 23.280 1.00 25.74原子1960 C ILE A 28175.817 59.824 24.663 1.00 26.96原子1961 O ILE A 28176.585 59.418 23.783 1.00 24.09原子1962 N ARG A 28276.220 60.108 25.915 1.00 26.63原子1963 CA ARG A 28277.614 59.937 26.315 1.00 26.66原子1964 CB ARG A 28277.883 60.575 27.693 1.00 30.42原子1965 CG ARG A 28279.344 60.496 28.132 1.00 33.94原子1966 CD ARG A 28279.574 61.182 29.482 1.00 38.66原子1967 NE ARG A 28280.944 60.996 29.981 1.00 41.54原子1968 CZ ARG A 28282.028 61.599 29.469 1.00 44.32原子1969 NH1 ARG A 28281.928 62.399 28.406 1.00 46.32原子1970 NH2 ARG A 28283.220 61.401 30.023 1.00 45.03原子1971 C ARG A 28277.986 58.457 26.321 1.00 24.24原子1972 O ARG A 28279.117 58.089 26.016 1.00 23.52原子1973 N GLU A 28377.023 57.614 26.637 1.00 23.65原子1974 CA GLU A 28377.246 56.170 26.645 1.00 25.88原子1975 CB GLU A 28376.023 55.468 27.224 1.00 25.65原子1976 CG GLU A 28375.594 55.991 28.587 1.00 32.93原子1977 CD GLU A 28376.041 55.084 29.709 1.00 33.42原子1978 OE1 GLU A 28375.163 54.544 30.412 1.00 35.74原子1979 OE2 GLU A 28377.268 54.899 29.871 1.00 34.68
原子1980 C GLU A 28377.519 55.632 25.219 1.00 26.49原子1981 O GLU A 28378.075 54.556 25.056 1.00 26.00原子1982 N MET A 28477.106 56.387 24.195 1.00 28.65原子1983 CA MET A 28477.292 55.981 22.790 1.00 30.37原子1984 CB MET A 28476.193 56.578 21.907 1.00 29.17原子1985 CG MET A 28474.799 56.484 22.496 1.00 28.48原子1986 SD MET A 28473.490 56.940 21.341 1.00 32.72原子1987 CE MET A 28473.068 58.578 21.912 1.00 30.81原子1988 C MET A 28478.662 56.353 22.236 1.00 31.62原子1989 O MET A 28478.971 55.995 21.110 1.00 32.97原子1990 N ASN A 28579.483 57.082 23.016 1.00 33.38原子1991 CA ASN A 28580.818 57.508 22.563 1.00 35.76原子1992 CB ASN A 28581.777 56.317 22.434 1.00 35.36原子1993 CG ASN A 28581.930 55.498 23.708 1.00 37.66原子1994 OD1 ASN A 28582.275 54.311 23.659 1.00 35.39原子1995 ND2 ASN A 28581.678 56.123 24.853 1.00 36.16原子1996 C ASN A 28580.707 58.241 21.204 1.00 37.50原子1997 O ASN A 28581.275 57.809 20.198 1.00 37.75原子1998 N PRO A 28679.964 59.351 21.170 1.00 38.06原子1999 CD PRO A 28679.255 59.943 22.329 1.00 37.89原子2000 CA PRO A 28679.750 60.131 19.947 1.00 39.95原子2001 CB PRO A 28678.659 61.121 20.362 1.00 39.05原子2002 CG PRO A 28678.886 61.302 21.826 1.00 38.06原子2003 C PRO A 28680.974 60.911 19.486 1.00 40.66原子2004 O PRO A 28681.759 61.425 20.291 1.00 40.65原子2005 N ASN A 28781.103 61.051 18.171 1.00 41.08原子2006 CA ASN A 28782.194 61.830 17.633 1.00 41.25原子2007 CB ASN A 28782.902 61.108 16.493 1.00 43.10原子2008 CG ASN A 28784.105 60.323 16.998 1.00 42.68原子2009 OD1 ASN A 28784.162 59.101 16.876 1.00 42.74原子2010 ND2 ASN A 28785.074 61.027 17.573 1.00 42.61原子2011 C ASN A 28781.687 63.222 17.269 1.00 40.62原子2012 O ASN A 28782.456 64.141 17.021 1.00 40.65原子2013 N TYR A 28880.367 63.359 17.310 1.00 41.10原子2014 CA TYR A 28879.658 64.611 17.060 1.00 42.21原子2015 CB TYR A 28879.602 65.014 15.569 1.00 42.33原子2016 CG TYR A 28879.418 63.880 14.588 1.00 42.43原子2017 CD1 TYR A 28880.507 63.341 13.914 1.00 42.88原子2018 CE1 TYR A 28880.351 62.306 13.006 1.00 42.57原子2019 CD2 TYR A 28878.159 63.354 14.326 1.00 43.59原子2020 CE2 TYR A 28877.993 62.319 13.420 1.00 42.81原子2021 CZ TYR A 28879.093 61.798 12.765 1.00 42.73原子2022 OH TYR A 28878.934 60.750 11.876 1.00 43.10原子2023 C TYR A 28878.262 64.512 17.645 1.00 43.00原子2024 O TYR A 28877.644 63.450 17.612 1.00 40.24原子2025 N THR A 28977.776 65.611 18.203 1.00 44.37原子2026 CA THR A 28976.451 65.614 18.812 1.00 47.10原子2027 CB THR A 28976.541 65.473 20.347 1.00 46.92原子2028 OG1 THR A 28976.811 66.725 20.970 1.00 45.80原子2029 CG2 THR A 28977.581 64.474 20.816 1.00 45.35原子2030 C THR A 28975.666 66.861 18.435 1.00 48.71原子2031 O THR A 28974.506 66.994 18.816 1.00 49.12原子2032 N GLU A 29076.307 67.767 17.687 1.00 50.41原子2033 CA GLU A 29075.674 69.008 17.251 1.00 52.56
原子2034 CB GLU A 29076.706 69.963 16.653 1.00 54.21原子2035 CG GLU A 29077.852 70.307 17.595 1.00 56.44原子2036 CD GLU A 29079.112 69.509 17.307 1.00 58.31原子2037 OE1 GLU A 29080.205 70.115 17.278 1.00 59.38原子2038 OE2 GLU A 29079.009 68.278 17.113 1.00 58.91原子2039 C GLU A 29074.556 68.733 16.251 1.00 53.63原子2040 O GLU A 29074.504 69.325 15.176 1.00 53.39原子2041 N PHE A 29173.665 67.829 16.627 1.00 54.78原子2042 CA PHE A 29172.535 67.445 15.809 1.00 56.14原子2043 CB PHE A 29172.090 66.025 16.169 1.00 56.00原子2044 CG PHE A 29172.958 64.947 15.603 1.00 56.83原子2045 CD1 PHE A 29173.985 64.405 16.353 1.00 56.77原子2046 CD2 PHE A 29172.740 64.467 14.321 1.00 57.19原子2047 CE1 PHE A 29174.781 63.401 15.836 1.00 57.29原子2048 CE2 PHE A 29173.533 63.464 13.799 1.00 57.70原子2049 CZ PHE A 29174.556 62.930 14.558 1.00 57.44原子2050 C PHE A 29171.376 68.409 16.018 1.00 57.37原子2051 O PHE A 29171.563 69.557 16.413 1.00 58.88原子2052 N LYS A 29270.180 67.931 15.748 1.00 57.76原子2053 CA LYS A 29268.979 68.726 15.893 1.00 58.17原子2054 CB LYS A 29268.738 69.566 14.628 1.00 60.13原子2055 CG LYS A 29269.554 69.120 13.402 1.00 61.32原子2056 CD LYS A 29269.445 67.616 13.137 1.00 61.28原子2057 CE LYS A 29268.585 67.313 11.926 1.00 61.42原子2058 NZ LYS A 29267.875 66.014 12.071 1.00 62.17原子2059 C LYS A 29267.804 67.798 16.171 1.00 57.78原子2060 O LYS A 29267.150 67.291 15.252 1.00 58.28原子2061 N PHE A 29367.575 67.541 17.451 1.00 56.83原子2062 CA PHE A 29366.516 66.640 17.871 1.00 55.06原子2063 CB PHE A 29366.832 66.024 19.244 1.00 54.49原子2064 CG PHE A 29368.277 65.646 19.440 1.00 52.66原子2065 CD1 PHE A 29368.885 64.716 18.615 1.00 52.89原子2066 CD2 PHE A 29369.026 66.224 20.454 1.00 51.93原子2067 CE1 PHE A 29370.213 64.368 18.795 1.00 52.57原子2068 CE2 PHE A 29370.354 65.883 20.641 1.00 52.26原子2069 CZ PHE A 29370.949 64.952 19.809 1.00 52.07原子2070 C PHE A 29365.165 67.340 17.888 1.00 54.04原子2071 O PHE A 29365.037 68.457 18.391 1.00 53.67原子2072 N PRO A 29464.136 66.688 17.317 1.00 53.78原子2073 CD PRO A 29464.223 65.365 16.670 1.00 53.01原子2074 CA PRO A 29462.779 67.248 17.254 1.00 53.38原子2075 CB PRO A 29462.006 66.233 16.401 1.00 53.26原子2076 CG PRO A 29462.786 64.967 16.496 1.00 53.31原子2077 C PRO A 29462.117 67.413 18.635 1.00 52.79原子2078 O PRO A 29461.031 67.995 18.742 1.00 53.69原子2079 N GLN A 29562.766 66.901 19.684 1.00 51.09原子2080 CA GLN A 29562.235 66.989 21.053 1.00 49.40原子2081 CB GLN A 29562.135 68.440 21.532 1.00 47.56原子2082 CG GLN A 29563.474 69.148 21.658 1.00 46.71原子2083 CD GLN A 29564.518 68.322 22.382 1.00 45.57原子2084 OE1 GLN A 29564.234 67.695 23.393 1.00 45.44原子2085 NE2 GLN A 29565.737 68.324 21.868 1.00 45.50原子2086 C GLN A 29560.888 66.285 21.173 1.00 48.71原子2087 O GLN A 29559.828 66.920 21.166 1.00 48.11
原子2088 N ILE A 29660.944 64.961 21.274 1.00 47.95原子2089 CA ILE A 29659.745 64.145 21.384 1.00 47.97原子2090 CB ILE A 29659.590 63.210 20.160 1.00 47.45原子2091 CG2 ILE A 29658.156 62.723 20.041 1.00 47.21原子2092 CG1 ILE A 29660.015 63.927 18.873 1.00 47.88原子2093 CD1 ILE A 29660.015 63.036 17.649 1.00 48.40原子2094 C ILE A 29659.765 63.295 22.652 1.00 47.76原子2095 O ILE A 29660.830 63.005 23.208 1.00 48.33原子2096 N LYS A 29758.579 62.877 23.084 1.00 47.32原子2097 CA LYS A 29758.441 62.032 24.264 1.00 46.79原子2098 CB LYS A 29757.278 62.505 25.171 1.00 48.16原子2099 CG LYS A 29756.174 63.305 24.466 1.00 48.76原子2100 CD LYS A 29756.550 64.778 24.251 1.00 50.38原子2101 CE LYS A 29756.720 65.542 25.569 1.00 50.43原子2102 NZ LYS A 29757.428 66.847 25.376 1.00 49.71原子2103 C LYS A 29758.234 60.584 23.819 1.00 46.40原子2104 O LYS A 29757.437 60.318 22.917 1.00 46.93原子2105 N ALA A 29858.980 59.659 24.427 1.00 45.46原子2106 CA ALA A 29858.911 58.237 24.079 1.00 45.16原子2107 CB ALA A 29859.583 57.377 25.139 1.00 46.44原子2108 C ALA A 29857.494 57.744 23.819 1.00 44.68原子2109 O ALA A 29856.558 58.075 24.546 1.00 44.42原子2110 N HIS A 29957.357 56.923 22.782 1.00 44.68原子2111 CA HIS A 29956.075 56.332 22.411 1.00 44.10原子2112 CB HIS A 29955.975 56.186 20.878 1.00 44.34原子2113 CG HIS A 29954.587 55.926 20.361 1.00 43.08原子2114 CD2 HIS A 29954.047 54.824 19.788 1.00 43.51原子2115 ND1 HIS A 29953.574 56.864 20.399 1.00 43.83原子2116 CE1 HIS A 29952.474 56.351 19.878 1.00 43.22原子2117 NE2 HIS A 29952.734 55.113 19.499 1.00 42.58原子2118 C HIS A 29955.959 54.963 23.078 1.00 44.10原子2119 O HIS A 29956.782 54.080 22.838 1.00 44.94原子2120 N PRO A 30054.944 54.769 23.936 1.00 43.53原子2121 CD PRO A 30053.921 55.772 24.283 1.00 43.05原子2122 CA PRO A 30054.737 53.501 24.649 1.00 42.90原子2123 CB PRO A 30053.286 53.614 25.116 1.00 43.38原子2124 CG PRO A 30053.090 55.076 25.330 1.00 43.66原子2125 C PRO A 30054.911 52.287 23.741 1.00 42.52原子2126 O PRO A 30054.217 52.152 22.735 1.00 42.26原子2127 N TRP A 30155.846 51.410 24.103 1.00 42.18原子2128 CA TRP A 30156.120 50.207 23.322 1.00 42.14原子2129 CB TRP A 30157.165 49.330 24.015 1.00 41.33原子2130 CG TRP A 30158.583 49.696 23.682 1.00 40.34原子2131 CD2 TRP A 30159.190 49.696 22.380 1.00 39.60原子2132 CE2 TRP A 30160.527 50.110 22.543 1.00 39.49原子2133 CE3 TRP A 30158.731 49.387 21.095 1.00 39.48原子2134 CD1 TRP A 30159.556 50.098 24.556 1.00 40.21原子2135 NE1 TRP A 30160.726 50.351 23.879 1.00 39.18原子2136 CZ2 TRP A 30161.407 50.220 21.470 1.00 39.55原子2137 CZ3 TRP A 30159.604 49.497 20.033 1.00 38.40原子2138 CH2 TRP A 30160.925 49.910 20.224 1.00 39.52原子2139 C TRP A 30154.852 49.407 23.052 1.00 43.11原子2140 O TRP A 30154.690 48.830 21.975 1.00 43.94原子2141 N THR A 30253.953 49.375 24.032 1.00 44.41
原子2142 CA THR A 30252.692 48.643 23.901 1.00 45.14原子2143 CB THR A 30251.997 48.489 25.259 1.00 45.40原子2144 OG1 THR A 30250.806 47.733 25.138 1.00 47.13原子2145 CG2 THR A 30251.662 49.797 25.943 1.00 45.17原子2146 C THR A 30251.763 49.282 22.860 1.00 45.41原子2147 O THR A 30250.902 48.608 22.286 1.00 46.19原子2148 N LYS A 30351.964 50.573 22.599 1.00 44.91原子2149 CA LYS A 30351.172 51.295 21.607 1.00 44.23原子2150 CB LYS A 30350.962 52.747 22.053 1.00 45.50原子2151 CG LYS A 30349.656 52.991 22.792 1.00 47.39原子2152 CD LYS A 30349.381 54.483 22.937 1.00 49.70原子2153 CE LYS A 30348.426 54.994 21.863 1.00 50.84原子2154 NZ LYS A 30347.185 55.585 22.445 1.00 51.69原子2155 C LYS A 30351.862 51.272 20.227 1.00 43.47原子2156 O LYS A 30351.232 51.562 19.212 1.00 42.78原子2157 N VAL A 30453.158 50.936 20.199 1.00 42.34原子2158 CA VAL A 30453.917 50.891 18.943 1.00 42.40原子2159 CB VAL A 30455.442 50.779 19.184 1.00 42.11原子2160 CG1 VAL A 30456.177 50.320 17.921 1.00 40.82原子2161 CG2 VAL A 30456.002 52.102 19.681 1.00 39.70原子2162 C VAL A 30453.450 49.748 18.042 1.00 42.22原子2163 O VAL A 30453.406 49.890 16.821 1.00 43.06原子2164 N PHE A 30553.106 48.617 18.652 1.00 41.61原子2165 CA PHE A 30552.649 47.452 17.906 1.00 41.24原子2166 CB PHE A 30553.269 46.176 18.472 1.00 37.57原子2167 CG PHE A 30554.763 46.198 18.469 1.00 35.03原子2168 CD1 PHE A 30555.463 46.597 19.598 1.00 33.16原子2169 CD2 PHE A 30555.470 45.834 17.335 1.00 33.57原子2170 CE1 PHE A 30556.838 46.632 19.597 1.00 31.36原子2171 CE2 PHE A 30556.850 45.865 17.328 1.00 32.96原子2172 CZ PHE A 30557.534 46.265 18.462 1.00 33.78原子2173 C PHE A 30551.135 47.345 17.901 1.00 42.81原子2174 O PHE A 30550.455 47.939 18.738 1.00 44.77原子2175 N ARG A 30650.606 46.579 16.955 1.00 44.27原子2176 CA ARG A 30649.169 46.398 16.859 1.00 45.78原子2177 CB ARG A 30648.788 45.720 15.541 1.00 47.80原子2178 CG ARG A 30649.444 44.366 15.315 1.00 50.54原子2179 CD ARG A 30649.697 44.111 13.829 1.00 52.93原子2180 NE ARG A 30648.876 43.013 13.315 1.00 55.30原子2181 CZ ARG A 30649.028 41.731 13.669 1.00 56.25原子2182 NH1 ARG A 30649.967 41.375 14.547 1.00 55.27原子2183 NH2 ARG A 30648.233 40.801 13.143 1.00 56.50原子2184 C ARG A 30648.663 45.589 18.049 1.00 45.74原子2185 O ARG A 30649.404 44.793 18.619 1.00 45.14原子2186 N PRO A 30747.397 45.793 18.453 1.00 46.23原子2187 CD PRO A 30746.442 46.735 17.846 1.00 46.07原子2188 CA PRO A 30746.811 45.082 19.592 1.00 46.18原子2189 CB PRO A 30745.340 45.530 19.597 1.00 46.66原子2190 CG PRO A 30745.115 46.175 18.269 1.00 46.15原子2191 C PRO A 30746.909 43.567 19.444 1.00 46.73原子2192 O PRO A 30747.062 43.049 18.339 1.00 47.71原子2193 N ARG A 30846.820 42.870 20.574 1.00 46.74原子2194 CA ARG A 30846.889 41.411 20.605 1.00 46.91原子2195 CB ARG A 30845.830 40.797 19.674 1.00 49.70
原子2196 CG ARG A 30844.566 40.340 20.406 1.00 52.99原子2197 CD ARG A 30844.655 38.885 20.869 1.00 57.02原子2198 NE ARG A 30845.943 38.578 21.513 1.00 60.77原子2199 CZ ARG A 30846.106 38.320 22.825 1.00 61.29原子2200 NH1 ARG A 30845.061 38.310 23.659 1.00 61.76原子2201 NH2 ARG A 30847.326 38.070 23.300 1.00 61.20原子2202 C ARG A 30848.292 40.881 20.274 1.00 44.79原子2203 O ARG A 30848.471 39.680 20.055 1.00 43.82原子2204 N THR A 30949.294 41.760 20.285 1.00 42.99原子2205 CA THR A 30950.675 41.332 20.030 1.00 41.54原子2206 CB THR A 30951.547 42.495 19.525 1.00 39.98原子2207 OG1 THR A 30951.117 42.936 18.253 1.00 39.67原子2208 CG2 THR A 30953.022 42.166 19.418 1.00 38.09原子2209 C THR A 30951.258 40.740 21.315 1.00 40.62原子2210 O THR A 30951.132 41.336 22.382 1.00 41.53原子2211 N PRO A 31051.883 39.551 21.238 1.00 39.36原子2212 CD PRO A 31052.065 38.755 20.008 1.00 38.76原子2213 CA PRO A 31052.461 38.881 22.415 1.00 38.43原子2214 CB PRO A 31053.390 37.843 21.792 1.00 37.91原子2215 CG PRO A 31052.727 37.494 20.500 1.00 39.30原子2216 C PRO A 31053.247 39.846 23.309 1.00 36.53原子2217 O PRO A 31054.293 40.349 22.918 1.00 37.72原子2218 N PRO A 31152.744 40.113 24.530 1.00 34.81原子2219 CD PRO A 31151.498 39.546 25.078 1.00 34.82原子2220 CA PRO A 31153.400 41.021 25.487 1.00 32.04原子2221 CB PRO A 31152.619 40.791 26.779 1.00 33.08原子2222 CG PRO A 31151.272 40.357 26.321 1.00 35.07原子2223 C PRO A 31154.878 40.685 25.682 1.00 29.08原子2224 O PRO A 31155.706 41.577 25.833 1.00 28.54原子2225 N GLU A 31255.202 39.396 25.647 1.00 28.12原子2226 CA GLU A 31256.578 38.937 25.791 1.00 28.15原子2227 CB GLU A 31256.624 37.416 25.989 1.00 32.38原子2228 CG GLU A 31255.811 36.917 27.186 1.00 38.17原子2229 CD GLU A 31254.382 36.502 26.839 1.00 40.82原子2230 OE1 GLU A 31253.864 35.572 27.490 1.00 43.31原子2231 OE2 GLU A 31253.775 37.105 25.923 1.00 42.33原子2232 C GLU A 31257.434 39.373 24.586 1.00 26.26原子2233 O GLU A 31258.625 39.636 24.729 1.00 25.86原子2234 N ALA A 31356.805 39.489 23.407 1.00 24.44原子2235 CA ALA A 31357.502 39.945 22.188 1.00 24.09原子2236 CB ALA A 31356.615 39.725 20.955 1.00 22.36原子2237 C ALA A 31357.835 41.425 22.332 1.00 22.39原子2238 O ALA A 31358.938 41.864 22.034 1.00 23.16原子2239 N ILE A 31456.871 42.183 22.835 1.00 22.65原子2240 CA ILE A 31457.047 43.610 23.076 1.00 23.93原子2241 CB ILE A 31455.708 44.254 23.514 1.00 24.11原子2242 CG2 ILE A 31455.833 45.766 23.637 1.00 27.02原子2243 CG1 ILE A 31454.597 43.894 22.527 1.00 25.37原子2244 CD1 ILE A 31453.285 44.616 22.774 1.00 23.59原子2245 C ILE A 31458.118 43.841 24.149 1.00 23.96原子2246 O ILE A 31458.948 44.748 24.043 1.00 25.44原子2247 N ALA A 31558.114 43.002 25.190 1.00 24.48原子2248 CA ALA A 31559.101 43.127 26.275 1.00 21.38原子2249 CB ALA A 31558.794 42.130 27.378 1.00 18.99
原子2250 C ALA A 31560.525 42.939 25.753 1.00 20.50原子2251 O ALA A 31561.425 43.723 26.078 1.00 18.67原子2252 N LEU A 31660.725 41.892 24.928 1.00 19.20原子2253 CA LEU A 31662.045 41.609 24.344 1.00 19.31原子2254 CB LEU A 31662.010 40.265 23.565 1.00 19.88原子2255 CG LEU A 31663.240 39.902 22.709 1.00 17.67原子2256 CD1 LEU A 31664.464 39.652 23.567 1.00 15.53原子2257 CD2 LEU A 31662.956 38.685 21.848 1.00 17.95原子2258 C LEU A 31662.510 42.792 23.466 1.00 18.37原子2259 O LEU A 31663.686 43.175 23.480 1.00 18.43原子2260 N CYS A 31761.566 43.396 22.739 1.00 18.93原子2261 CA CYS A 31761.852 44.557 21.884 1.00 22.24原子2262 CB CYS A 31760.592 44.975 21.114 1.00 25.99原子2263 SG CYS A 31760.621 44.562 19.353 1.00 36.98原子2264 C CYS A 31762.384 45.751 22.681 1.00 22.08原子2265 O CYS A 31763.337 46.422 22.253 1.00 18.81原子2266 N SER A 31861.761 46.029 23.849 1.00 21.02原子2267 CA SER A 31862.199 47.159 24.695 1.00 19.59原子2268 CB SER A 31861.212 47.439 25.856 1.00 23.13原子2269 OG SER A 31860.959 46.274 26.641 1.00 19.46原子2270 C SER A 31863.621 46.960 25.222 1.00 18.44原子2271 O SER A 31864.365 47.920 25.386 1.00 18.50原子2272 N ARG A 31964.001 45.708 25.480 1.00 19.95原子2273 CA ARG A 31965.337 45.401 25.997 1.00 21.38原子2274 CB ARG A 31965.293 44.140 26.861 1.00 23.27原子2275 CG ARG A 31964.261 44.200 27.983 1.00 25.35原子2276 CD ARG A 31964.580 45.302 28.979 1.00 23.98原子2277 NE ARG A 31965.984 45.280 29.403 1.00 28.61原子2278 CZ ARG A 31966.559 44.274 30.092 1.00 27.11原子2279 NH1 ARG A 31965.851 43.219 30.478 1.00 27.95原子2280 NH2 ARG A 31967.849 44.335 30.397 1.00 28.62原子2281 C ARG A 31966.403 45.239 24.899 1.00 22.00原子2282 O ARG A 31967.574 45.011 25.217 1.00 21.44原子2283 N LEU A 32066.001 45.364 23.620 1.00 20.51原子2284 CA LEU A 32066.947 45.248 22.481 1.00 18.20原子2285 CB LEU A 32066.417 44.282 21.390 1.00 15.82原子2286 CG LEU A 32066.077 42.864 21.851 1.00 13.56原子2287 CD1 LEU A 32065.158 42.168 20.860 1.00 12.01原子2288 CD2 LEU A 32067.332 42.048 22.104 1.00 14.30原子2289 C LEU A 32067.167 46.613 21.886 1.00 14.55原子2290 O LEU A 32068.285 47.015 21.649 1.00 17.73原子2291 N LEU A 32166.074 47.332 21.680 1.00 15.67原子2292 CA LEU A 32166.126 48.680 21.144 1.00 17.61原子2293 CB LEU A 32164.892 48.978 20.278 1.00 15.07原子2294 CG LEU A 32164.632 47.982 19.146 1.00 17.45原子2295 CD1 LEU A 32163.217 48.144 18.622 1.00 12.07原子2296 CD2 LEU A 32165.674 48.164 18.038 1.00 11.94原子2297 C LEU A 32166.266 49.730 22.255 1.00 17.32原子2298 O LEU A 32165.358 50.514 22.500 1.00 15.83原子2299 N GLU A 32267.424 49.746 22.897 1.00 20.87原子2300 CA GLU A 32267.708 50.697 23.970 1.00 21.68原子2301 CB GLU A 32268.114 49.931 25.246 1.00 22.81原子2302 CG GLU A 32267.688 50.614 26.542 1.00 28.40原子2303 CD GLU A 32266.652 49.815 27.315 1.00 28.36
原子2304 OE1 GLU A 32266.875 48.605 27.546 1.00 30.00原子2305 OE2 GLU A 32265.613 50.399 27.684 1.00 30.22原子2306 C GLU A 32268.826 51.605 23.553 1.00 19.57原子2307 O GLU A 32269.808 51.136 22.986 1.00 24.35原子2308 N TYR A 32368.682 52.901 23.824 1.00 19.26原子2309 CA TYR A 32369.698 53.893 23.464 1.00 19.31原子2310 CB TYR A 32369.282 55.295 23.925 1.00 22.25原子2311 CG TYR A 32368.382 56.044 22.971 1.00 22.48原子2312 CD1 TYR A 32368.689 56.162 21.610 1.00 22.04原子2313 CE1 TYR A 32367.847 56.859 20.750 1.00 21.95原子2314 CD2 TYR A 32367.226 56.643 23.434 1.00 21.41原子2315 CE2 TYR A 32366.386 57.337 22.587 1.00 24.39原子2316 CZ TYR A 32366.698 57.442 21.244 1.00 23.89原子2317 OH TYR A 32365.849 58.133 20.405 1.00 23.70原子2318 C TYR A 32371.074 53.553 24.030 1.00 19.93原子2319 O TYR A 32372.083 53.580 23.304 1.00 17.86原子2320 N THR A 32471.127 53.228 25.339 1.00 19.13原子2321 CA THR A 32472.401 52.875 25.971 1.00 15.51原子2322 CB THR A 32472.339 52.986 27.507 1.00 17.08原子2323 OG1 THR A 32471.807 54.245 27.879 1.00 17.91原子2324 CG2 THR A 32473.699 52.853 28.147 1.00 11.22原子2325 C THR A 32472.800 51.489 25.541 1.00 14.29原子2326 O THR A 32472.045 50.542 25.741 1.00 14.20原子2327 N PRO A 32573.977 51.373 24.886 1.00 16.36原子2328 CD PRO A 32574.882 52.494 24.586 1.00 14.52原子2329 CA PRO A 32574.486 50.099 24.329 1.00 14.39原子2330 CB PRO A 32575.848 50.481 23.743 1.00 10.98原子2331 CG PRO A 32575.763 51.937 23.498 1.00 15.41原子2332 C PRO A 32574.636 48.983 25.365 1.00 15.34原子2333 O PRO A 32574.214 47.840 25.130 1.00 12.17原子2334 N THR A 32675.237 49.323 26.514 1.00 15.65原子2335 CA THR A 32675.435 48.354 27.610 1.00 14.91原子2336 CB THR A 32676.305 48.965 28.718 1.00 14.59原子2337 OG1 THR A 32675.804 50.224 29.130 1.00 11.75原子2338 CG2 THR A 32677.744 49.150 28.302 1.00 13.98原子2339 C THR A 32674.119 47.875 28.196 1.00 14.19原子2340 O THR A 32674.060 46.813 28.802 1.00 19.56原子2341 N ALA A 32773.072 48.668 28.024 1.00 14.86原子2342 CA ALA A 32771.744 48.358 28.542 1.00 15.10原子2343 CB ALA A 32770.915 49.624 28.593 1.00 15.94原子2344 C ALA A 32770.989 47.256 27.763 1.00 17.36原子2345 O ALA A 32770.043 46.643 28.303 1.00 15.08原子2346 N ARG A 32871.378 47.013 26.496 1.00 16.26原子2347 CA ARG A 32870.705 45.993 25.656 1.00 13.02原子2348 CB ARG A 32871.126 46.134 24.161 1.00 13.41原子2349 CG ARG A 32870.732 47.450 23.514 1.00 14.63原子2350 CD ARG A 32871.583 47.740 22.255 1.00 17.74原子2351 NE ARG A 32871.432 49.141 21.822 1.00 14.76原子2352 CZ ARG A 32872.398 49.869 21.296 1.00 10.22原子2353 NH1 ARG A 32873.492 49.298 20.858 1.00 9.59原子2354 NH2 ARG A 32872.237 51.187 21.166 1.00 8.94原子2355 C ARG A 32871.057 44.586 26.096 1.00 6.14原子2356 O ARG A 32872.166 44.329 26.486 1.00 8.50原子2357 N LEU A 32970.133 43.656 25.949 1.00 8.48
原子2358 CA LEU A 32970.462 42.279 26.273 1.00 11.70原子2359 CB LEU A 32969.274 41.342 26.034 1.00 13.47原子2360 CG LEU A 32967.968 41.615 26.736 1.00 18.89原子2361 CD1 LEU A 32966.876 40.769 26.102 1.00 18.93原子2362 CD2 LEU A 32968.087 41.309 28.232 1.00 19.20原子2363 C LEU A 32971.541 41.786 25.343 1.00 17.58原子2364 O LEU A 32971.701 42.294 24.185 1.00 18.98原子2365 N THR A 33072.224 40.737 25.793 1.00 17.60原子2366 CA THR A 33073.209 40.089 24.989 1.00 19.09原子2367 CB THR A 33074.271 39.413 25.846 1.00 19.08原子2368 OG1 THR A 33073.702 38.399 26.639 1.00 20.66原子2369 CG2 THR A 33075.081 40.347 26.725 1.00 22.70原子2370 C THR A 33072.462 39.012 24.187 1.00 18.93原子2371 O THR A 33071.310 38.670 24.495 1.00 19.21原子2372 N PRO A 33173.073 38.459 23.155 1.00 17.26原子2373 CD PRO A 33174.417 38.779 22.661 1.00 17.15原子2374 CA PRO A 33172.409 37.423 22.365 1.00 18.01原子2375 CB PRO A 33173.426 37.070 21.277 1.00 13.34原子2376 CG PRO A 33174.381 38.211 21.255 1.00 17.27原子2377 C PRO A 33172.060 36.207 23.250 1.00 16.55原子2378 O PRO A 33170.967 35.670 23.168 1.00 19.08原子2379 N LEU A 33272.976 35.786 24.112 1.00 18.64原子2380 CA LEU A 33272.676 34.640 24.995 1.00 20.57原子2381 CB LEU A 33273.895 34.158 25.770 1.00 22.27原子2382 CG LEU A 33273.915 32.659 26.052 1.00 24.61原子2383 CD1 LEU A 33273.755 31.869 24.756 1.00 26.96原子2384 CD2 LEU A 33275.192 32.255 26.780 1.00 26.02原子2385 C LEU A 33271.494 34.916 25.919 1.00 17.91原子2386 O LEU A 33270.643 34.060 26.085 1.00 21.79原子2387 N GLU A 33371.419 36.133 26.470 1.00 17.14原子2388 CA GLU A 33370.303 36.544 27.335 1.00 17.62原子2389 CB GLU A 33370.599 37.889 28.015 1.00 18.45原子2390 CG GLU A 33371.668 37.822 29.095 1.00 19.81原子2391 CD GLU A 33372.216 39.180 29.482 1.00 20.30原子2392 OE1 GLU A 33373.258 39.216 30.163 1.00 25.89原子2393 OE2 GLU A 33371.622 40.211 29.097 1.00 22.23原子2394 C GLU A 33369.017 36.686 26.540 1.00 18.85原子2395 O GLU A 33367.924 36.441 27.056 1.00 18.09原子2396 N ALA A 33469.127 37.084 25.258 1.00 17.85原子2397 CA ALA A 33467.917 37.214 24.449 1.00 16.32原子2398 CB ALA A 33468.221 37.898 23.097 1.00 23.05原子2399 C ALA A 33467.320 35.841 24.233 1.00 13.30原子2400 O ALA A 33466.112 35.664 24.301 1.00 15.40原子2401 N CYS A 33568.189 34.868 23.968 1.00 15.76原子2402 CA CYS A 33567.786 33.476 23.728 1.00 18.48原子2403 CB CYS A 33569.035 32.610 23.453 1.00 20.13原子2404 SG CYS A 33569.650 32.566 21.730 1.00 23.99原子2405 C CYS A 33567.038 32.884 24.945 1.00 20.44原子2406 O CYS A 33566.181 32.014 24.790 1.00 20.18原子2407 N ALA A 33667.407 33.338 26.156 1.00 21.45原子2408 CA ALA A 33666.818 32.844 27.412 1.00 22.45原子2409 CB ALA A 33667.845 32.902 28.554 1.00 24.12原子2410 C ALA A 33665.546 33.594 27.780 1.00 21.53原子2411 O ALA A 33664.811 33.174 28.670 1.00 24.07
原子2412 N HIS A 337 65.278 34.687 27.078 1.00 20.73原子2413 CA HIS A 337 64.083 35.488 27.310 1.00 18.65原子2414 CB HIS A 337 64.014 36.651 26.301 1.00 15.94原子2415 CG HIS A 337 62.994 37.711 26.621 1.00 6.72原子2416 CD2 HIS A 337 63.128 38.941 27.167 1.00 7.32原子2417 ND1 HIS A 337 61.667 37.572 26.348 1.00 6.66原子2418 CE1 HIS A 337 61.015 38.662 26.701 1.00 5.00原子2419 NE2 HIS A 337 61.884 39.507 27.202 1.00 5.30原子2420 C HIS A 337 62.827 34.619 27.284 1.00 19.85原子2421 O HIS A 337 62.839 33.507 26.758 1.00 22.24原子2422 N SER A 338 61.756 35.104 27.886 1.00 19.23原子2423 CA SER A 338 60.510 34.350 27.961 1.00 21.39原子2424 CB SER A 338 59.595 34.938 29.048 1.00 21.54原子2425 OG SER A 338 58.610 35.797 28.503 1.00 26.05原子2426 C SER A 338 59.769 34.255 26.613 1.00 21.75原子2427 O SER A 338 58.915 33.383 26.425 1.00 19.44原子2428 N PHE A 339 60.093 35.154 25.681 1.00 24.18原子2429 CA PHE A 339 59.444 35.141 24.371 1.00 24.18原子2430 CB PHE A 339 59.962 36.276 23.467 1.00 24.91原子2431 CG PHE A 339 59.313 36.275 22.100 1.00 26.05原子2432 CD1 PHE A 339 60.085 36.296 20.943 1.00 25.96原子2433 CD2 PHE A 339 57.934 36.251 21.977 1.00 25.69原子2434 CE1 PHE A 339 59.489 36.301 19.696 1.00 24.85原子2435 CE2 PHE A 339 57.330 36.253 20.730 1.00 25.53原子2436 CZ PHE A 339 58.112 36.281 19.590 1.00 23.89原子2437 C PHE A 339 59.675 33.805 23.693 1.00 22.02原子2438 O PHE A 339 58.812 33.305 22.995 1.00 22.73原子2439 N PHE A 340 60.853 33.242 23.904 1.00 22.97原子2440 CA PHE A 340 61.213 31.964 23.299 1.00 23.44原子2441 CB PHE A 340 62.696 31.959 22.954 1.00 21.17原子2442 CG PHE A 340 63.108 33.128 22.105 1.00 18.96原子2443 CD1 PHE A 340 62.623 33.269 20.811 1.00 15.28原子2444 CD2 PHE A 340 63.983 34.082 22.598 1.00 16.96原子2445 CE1 PHE A 340 63.013 34.338 20.034 1.00 16.19原子2446 CE2 PHE A 340 64.375 35.156 21.825 1.00 16.66原子2447 CZ PHE A 340 63.886 35.282 20.534 1.00 17.00原子2448 C PHE A 340 60.855 30.741 24.156 1.00 26.22原子2449 O PHE A 340 61.224 29.616 23.806 1.00 26.38原子2450 N ASP A 341 60.136 30.952 25.272 1.00 28.20原子2451 CA ASP A 341 59.744 29.840 26.150 1.00 27.65原子2452 CB ASP A 341 58.830 30.323 27.290 1.00 28.09原子2453 CG ASP A 341 59.562 31.111 28.373 1.00 28.12原子2454 OD1 ASP A 341 60.796 30.975 28.498 1.00 27.75原子2455 OD2 ASP A 341 58.892 31.868 29.098 1.00 30.69原子2456 C ASP A 341 59.033 28.755 25.367 1.00 28.02原子2457 O ASP A 341 59.270 27.565 25.583 1.00 29.18原子2458 N GLU A 342 58.156 29.163 24.451 1.00 28.63原子2459 CA GLU A 342 57.415 28.198 23.640 1.00 27.71原子2460 CB GLU A 342 56.547 28.896 22.599 1.00 28.66原子2461 CG GLU A 342 55.801 27.939 21.678 1.00 29.56原子2462 CD GLU A 342 54.648 28.595 20.949 1.00 30.24原子2463 OE1 GLU A 342 53.632 27.909 20.714 1.00 33.64原子2464 OE2 GLU A 342 54.756 29.794 20.612 1.00 31.91原子2465 C GLU A 342 58.352 27.192 22.984 1.00 27.16
原子2466 O GLU A 34258.122 25.997 23.054 1.00 28.46原子2467 N LEU A 34359.422 27.681 22.363 1.00 27.00原子2468 CA LEU A 34360.393 26.802 21.718 1.00 26.58原子2469 CB LEU A 34361.505 27.629 21.060 1.00 25.90原子2470 CG LEU A 34361.058 28.712 20.058 1.00 26.74原子2471 CD1 LEU A 34362.260 29.339 19.374 1.00 23.52原子2472 CD2 LEU A 34360.089 28.140 19.028 1.00 22.74原子2473 C LEU A 34360.999 25.806 22.715 1.00 28.14原子2474 O LEU A 34361.486 24.744 22.326 1.00 28.82原子2475 N ARG A 34460.981 26.173 23.998 1.00 29.57原子2476 CA ARG A 34461.538 25.353 25.070 1.00 30.15原子2477 CB ARG A 34461.884 26.262 26.256 1.00 29.53原子2478 CG ARG A 34463.311 26.106 26.754 1.00 25.45原子2479 CD ARG A 34464.113 27.395 26.664 1.00 21.49原子2480 NE ARG A 34463.314 28.608 26.901 1.00 18.01原子2481 CZ ARG A 34463.742 29.830 26.603 1.00 13.11原子2482 NH1 ARG A 34464.917 29.999 26.036 1.00 15.16原子2483 NH2 ARG A 34463.002 30.887 26.875 1.00 16.28原子2484 C ARG A 34460.571 24.249 25.515 1.00 31.98原子2485 O ARG A 34460.982 23.281 26.150 1.00 33.79原子2486 N ASP A 34559.293 24.406 25.180 1.00 33.25原子2487 CA ASP A 34558.242 23.449 25.530 1.00 35.71原子2488 CB ASP A 34556.883 24.041 25.124 1.00 36.83原子2489 CG ASP A 34555.660 23.265 25.591 1.00 37.61原子2490 OD1 ASP A 34554.573 23.873 25.653 1.00 39.11原子2491 OD2 ASP A 34555.774 22.056 25.871 1.00 39.24原子2492 C ASP A 34558.463 22.077 24.863 1.00 37.75原子2493 O ASP A 34558.633 21.987 23.647 1.00 37.67原子2494 N PRO A 34658.451 20.981 25.662 1.00 38.99原子2495 CD PRO A 34658.238 20.989 27.122 1.00 38.44原子2496 CA PRO A 34658.638 19.614 25.145 1.00 39.68原子2497 CB PRO A 34658.533 18.726 26.396 1.00 39.31原子2498 CG PRO A 34658.747 19.646 27.551 1.00 38.56原子2499 C PRO A 34657.539 19.243 24.155 1.00 40.56原子2500 O PRO A 34657.758 18.461 23.228 1.00 40.27原子2501 N ASN A 34756.358 19.760 24.424 1.00 42.43原子2502 CA ASN A 34755.205 19.522 23.560 1.00 44.15原子2503 CB ASN A 34753.928 19.386 24.364 1.00 45.69原子2504 CG ASN A 34754.183 18.874 25.759 1.00 46.82原子2505 OD1 ASN A 34754.107 19.621 26.717 1.00 48.40原子2506 ND2 ASN A 34754.478 17.585 25.876 1.00 46.44原子2507 C ASN A 34755.101 20.648 22.557 1.00 45.30原子2508 O ASN A 34754.367 21.603 22.772 1.00 45.75原子2509 N VAL A 34855.800 20.568 21.428 1.00 46.70原子2510 CA VAL A 34855.825 21.669 20.449 1.00 46.47原子2511 CB VAL A 34857.250 22.264 20.391 1.00 46.04原子2512 CG1 VAL A 34857.185 23.712 19.955 1.00 44.04原子2513 CG2 VAL A 34857.971 22.124 21.725 1.00 44.33原子2514 C VAL A 34855.537 21.252 19.033 1.00 47.56原子2515 O VAL A 34854.408 21.144 18.578 1.00 49.67原子2516 N LYS A 34956.733 21.027 18.372 1.00 49.07原子2517 CA LYS A 34956.978 20.595 16.967 1.00 49.74原子2518 CB LYS A 34956.741 19.087 16.859 1.00 51.67原子2519 CG LYS A 34955.344 18.739 17.305 1.00 53.90
原子2520 CD LYS A 34954.809 17.547 16.564 1.00 56.03原子2521 CE LYS A 34954.853 16.307 17.446 1.00 58.27原子2522 NZ LYS A 34954.174 15.146 16.799 1.00 61.28原子2523 C LYS A 34956.022 21.275 16.040 1.00 48.95原子2524 O LYS A 34954.979 20.700 15.716 1.00 48.99原子2525 N LEU A 35056.327 22.484 15.565 1.00 47.74原子2526 CA LEU A 35055.066 23.026 15.181 1.00 46.51原子2527 CB LEU A 35054.856 24.259 16.052 1.00 46.83原子2528 CG LEU A 35053.560 24.260 16.887 1.00 46.94原子2529 CD1 LEU A 35053.841 24.613 18.334 1.00 47.80原子2530 CD2 LEU A 35052.555 25.234 16.283 1.00 47.66原子2531 C LEU A 35054.460 23.377 13.853 1.00 45.92原子2532 O LEU A 35053.647 22.581 13.380 1.00 46.10原子2533 N PRO A 35154.759 24.499 13.169 1.00 45.11原子2534 CD PRO A 35155.423 25.732 13.632 1.00 44.07原子2535 CA PRO A 35153.722 24.809 12.154 1.00 44.28原子2536 CB PRO A 35154.397 25.950 11.411 1.00 42.95原子2537 CG PRO A 35155.110 26.705 12.512 1.00 43.47原子2538 C PRO A 35153.060 23.662 11.434 1.00 43.92原子2539 O PRO A 35151.833 23.548 11.439 1.00 45.39原子2540 N ASN A 35253.870 22.805 10.828 1.00 44.49原子2541 CA ASN A 35253.312 21.722 10.058 1.00 45.59原子2542 CB ASN A 35253.931 21.727 8.659 1.00 45.84原子2543 CG ASN A 35253.124 22.481 7.640 1.00 48.02原子2544 OD1 ASN A 35253.320 22.301 6.443 1.00 49.81原子2545 ND2 ASN A 35252.225 23.327 8.109 1.00 47.62原子2546 C ASN A 35253.596 20.357 10.683 1.00 46.48原子2547 O ASN A 35253.398 20.154 11.889 1.00 46.98原子2548 N GLY A 35354.074 19.429 9.862 1.00 45.86原子2549 CA GLY A 35354.395 18.106 10.351 1.00 47.10原子2550 C GLY A 35355.887 17.913 10.413 1.00 47.56原子2551 O GLY A 35356.418 16.955 9.851 1.00 48.69原子2552 N ARG A 35456.567 18.848 11.074 1.00 47.79原子2553 CA ARG A 35458.015 18.803 11.181 1.00 48.26原子2554 CB ARG A 35458.631 19.909 10.318 1.00 50.37原子2555 CG ARG A 35458.796 19.527 8.849 1.00 53.05原子2556 CD ARG A 35457.593 19.956 8.003 1.00 55.20原子2557 NE ARG A 35457.294 21.393 8.135 1.00 56.34原子2558 CZ ARG A 35457.192 22.256 7.105 1.00 57.36原子2559 NH1 ARG A 35457.322 21.841 5.845 1.00 57.10原子2560 NH2 ARG A 35456.944 23.547 7.341 1.00 57.28原子2561 C ARG A 35458.480 18.961 12.622 1.00 47.05原子2562 O ARG A 35457.901 19.724 13.396 1.00 46.38原子2563 N ASP A 35559.547 18.244 12.964 1.00 45.55原子2564 CA ASP A 35560.110 18.318 14.298 1.00 43.83原子2565 CB ASP A 35561.035 17.126 14.621 1.00 44.55原子2566 CG ASP A 35561.108 16.051 13.547 1.00 44.92原子2567 OD1 ASP A 35560.108 15.328 13.356 1.00 43.70原子2568 OD2 ASP A 35562.178 15.920 12.909 1.00 46.40原子2569 C ASP A 35560.879 19.619 14.459 1.00 43.16原子2570 O ASP A 35561.408 20.168 13.487 1.00 43.03原子2571 N THR A 35660.945 20.101 15.689 1.00 40.81原子2572 CA THR A 35661.661 21.326 15.987 1.00 38.24原子2573 CB THR A 35661.513 21.676 17.480 1.00 38.43
原子2574 OG1 THR A 35662.687 22.274 18.002 1.00 37.98原子2575 CG2 THR A 35661.161 20.496 18.364 1.00 37.12原子2576 CTHR A 35663.135 21.167 15.607 1.00 37.28原子2577 OTHR A 35663.755 20.154 15.932 1.00 36.68原子2578 NPRO A 35763.715 22.160 14.901 1.00 35.88原子2579 CD PRO A 35763.051 23.389 14.448 1.00 34.92原子2580 CA PRO A 35765.119 22.109 14.488 1.00 35.32原子2581 CB PRO A 35765.376 23.464 13.818 1.00 35.57原子2582 CG PRO A 35764.201 24.316 14.172 1.00 35.66原子2583 CPRO A 35766.043 21.909 15.684 1.00 36.40原子2584 OPRO A 35765.604 21.957 16.836 1.00 36.57原子2585 NALA A 35867.311 21.653 15.401 1.00 36.04原子2586 CA ALA A 35868.308 21.399 16.430 1.00 36.22原子2587 CB ALA A 35869.566 20.801 15.822 1.00 37.16原子2588 CALA A 35868.647 22.610 17.308 1.00 36.38原子2589 OALA A 35869.722 23.196 17.186 1.00 37.29原子2590 NLEU A 35967.758 22.931 18.240 1.00 35.60原子2591 CA LEU A 35968.011 24.004 19.186 1.00 35.86原子2592 CB LEU A 35966.750 24.827 19.489 1.00 34.90原子2593 CG LEU A 35965.744 25.034 18.349 1.00 35.74原子2594 CD1 LEU A 35964.380 25.401 18.924 1.00 36.49原子2595 CD2 LEU A 35966.220 26.108 17.378 1.00 33.17原子2596 CLEU A 35968.539 23.355 20.470 1.00 36.74原子2597 OLEU A 35968.464 22.121 20.625 1.00 38.67原子2598 NPHE A 36069.073 24.154 21.384 1.00 35.31原子2599 CA PHE A 36069.604 23.599 22.639 1.00 33.68原子2600 CB PHE A 36068.592 22.645 23.297 1.00 29.33原子2601 CG PHE A 36067.151 23.028 23.092 1.00 25.75原子2602 CD1 PHE A 36066.215 22.074 22.745 1.00 24.32原子2603 CD2 PHE A 36066.737 24.340 23.245 1.00 23.11原子2604 CE1 PHE A 36064.893 22.416 22.557 1.00 22.23原子2605 CE2 PHE A 36065.415 24.688 23.058 1.00 21.69原子2606 CZ PHE A 36064.493 23.723 22.714 1.00 22.31原子2607 CPHE A 36070.938 22.890 22.401 1.00 34.08原子2608 OPHE A 36071.581 22.413 23.338 1.00 34.63原子2609 NASN A 36171.348 22.863 21.132 1.00 35.29原子2610 CA ASN A 36172.609 22.265 20.670 1.00 35.58原子2611 CB ASN A 36172.640 22.420 19.139 1.00 36.74原子2612 CG ASN A 36173.165 21.225 18.392 1.00 38.91原子2613 OD1 ASN A 36173.503 20.205 18.986 1.00 42.48原子2614 ND2 ASN A 36173.235 21.347 17.069 1.00 39.99原子2615 CASN A 36173.830 23.005 21.272 1.00 34.58原子2616 OASN A 36174.969 22.786 20.853 1.00 33.31原子2617 NPHE A 36273.567 23.870 22.265 1.00 33.34原子2618 CA PHE A 36274.595 24.720 22.895 1.00 30.24原子2619 CB PHE A 36274.044 25.448 24.128 1.00 26.30原子2620 CG PHE A 36273.059 26.527 23.796 1.00 24.99原子2621 CD1 PHE A 36271.710 26.344 24.031 1.00 24.49原子2622 CD2 PHE A 36273.480 27.724 23.233 1.00 24.20原子2623 CE1 PHE A 36270.797 27.336 23.704 1.00 25.12原子2624 CE2 PHE A 36272.571 28.716 22.909 1.00 22.66原子2625 CZ PHE A 36271.231 28.521 23.141 1.00 21.69原子2626 CPHE A 36275.863 23.960 23.252 1.00 29.70原子2627 OPHE A 36275.833 22.787 23.624 1.00 31.38
原子2628 N THR A 36376.973 24.666 23.115 1.00 28.72原子2629 CA THR A 36378.283 24.139 23.426 1.00 30.32原子2630 CB THR A 36379.118 23.949 22.160 1.00 30.33原子2631 OG1 THR A 36379.626 25.227 21.730 1.00 29.69原子2632 CG2 THR A 36378.264 23.324 21.073 1.00 31.54原子2633 C THR A 36378.993 25.132 24.285 1.00 29.90原子2634 O THR A 36378.570 26.284 24.450 1.00 31.27原子2635 N THR A 36480.157 24.708 24.797 1.00 31.32原子2636 CA THR A 36480.885 25.620 25.708 1.00 31.31原子2637 CB THR A 36482.183 25.077 26.188 1.00 31.99原子2638 OG1 THR A 36481.967 23.911 26.995 1.00 33.21原子2639 CG2 THR A 36482.909 26.131 26.996 1.00 32.54原子2640 C THR A 36481.244 26.991 25.221 1.00 31.22原子2641 O THR A 36480.931 27.967 25.917 1.00 32.20原子2642 N GLN A 36581.864 27.183 24.096 1.00 31.18原子2643 CA GLN A 36582.097 28.555 23.672 1.00 29.69原子2644 CB GLN A 36582.591 28.657 22.225 1.00 31.29原子2645 CG GLN A 36584.066 28.448 22.048 1.00 31.31原子2646 CD GLN A 36584.834 29.709 21.698 1.00 28.08原子2647 OE1 GLN A 36584.239 30.773 21.479 1.00 27.43原子2648 NE2 GLN A 36586.156 29.819 21.590 1.00 32.84原子2649 C GLN A 36580.809 29.336 23.556 1.00 27.35原子2650 O GLN A 36580.758 30.523 23.902 1.00 27.88原子2651 N GLU A 36679.767 28.699 23.081 1.00 25.28原子2652 CA GLU A 36678.560 29.472 22.934 1.00 26.02原子2653 CB GLU A 36677.497 28.614 22.291 1.00 24.56原子2654 CG GLU A 36677.570 28.538 20.791 1.00 23.39原子2655 CD GLU A 36676.295 27.905 20.307 1.00 20.84原子2656 OE1 GLU A 36675.379 28.656 19.899 1.00 18.16原子2657 OE2 GLU A 36676.200 26.667 20.333 1.00 21.04原子2658 C GLU A 36678.018 30.001 24.257 1.00 25.56原子2659 O GLU A 36677.440 31.086 24.316 1.00 26.33原子2660 N LEU A 36778.235 29.243 25.311 1.00 27.66原子2661 CA LEU A 36777.747 29.637 26.617 1.00 27.22原子2662 CB LEU A 36777.389 28.409 27.463 1.00 23.10原子2663 CG LEU A 36776.197 27.579 26.998 1.00 22.63原子2664 CD1 LEU A 36776.279 26.163 27.553 1.00 24.80原子2665 CD2 LEU A 36774.886 28.228 27.395 1.00 22.27原子2666 C LEU A 36778.782 30.491 27.342 1.00 27.79原子2667 O LEU A 36778.474 31.114 28.368 1.00 29.77原子2668 N SER A 36880.017 30.518 26.796 1.00 28.63原子2669 CA SER A 36881.163 31.252 27.355 1.00 30.09原子2670 CB SER A 36882.311 31.408 26.353 1.00 30.06原子2671 OG SER A 36882.146 32.543 25.524 1.00 32.28原子2672 C SER A 36880.794 32.563 28.040 1.00 31.79原子2673 O SER A 36881.462 32.988 28.998 1.00 32.23原子2674 N SER A 36979.711 33.174 27.586 1.00 31.30原子2675 CA SER A 36979.225 34.393 28.200 1.00 31.27原子2676 CB SER A 36978.832 35.437 27.141 1.00 28.64原子2677 OG SER A 36977.432 35.662 27.104 1.00 23.51原子2678 C SER A 36978.040 34.011 29.084 1.00 33.13原子2679 O SER A 36976.968 33.649 28.587 1.00 37.45原子2680 N ASN A 37078.237 34.040 30.384 1.00 31.36原子2681 CA ASN A 37077.172 33.659 31.306 1.00 29.84
原子2682 CB ASN A 37075.917 34.511 31.061 1.00 31.79原子2683 CG ASN A 37075.177 34.854 32.344 1.00 32.69原子2684 OD1 ASN A 37074.323 35.750 32.368 1.00 33.79原子2685 ND2 ASN A 37075.498 34.140 33.414 1.00 30.98原子2686 C ASN A 37076.835 32.155 31.241 1.00 26.34原子2687 O ASN A 37075.697 31.774 30.963 1.00 27.40原子2688 N PRO A 37177.815 31.278 31.516 1.00 24.52原子2689 CD PRO A 37179.202 31.636 31.868 1.00 24.13原子2690 CA PRO A 37177.611 29.816 31.509 1.00 25.51原子2691 CB PRO A 37178.909 29.272 32.100 1.00 25.50原子2692 CG PRO A 37179.923 30.323 31.797 1.00 24.03原子2693 C PRO A 37176.371 29.337 32.309 1.00 26.66原子2694 O PRO A 37175.691 28.393 31.886 1.00 27.02原子2695 N PRO A 37276.052 29.960 33.478 1.00 27.86原子2696 CD PRO A 37276.803 31.069 34.108 1.00 28.58原子2697 CA PRO A 37274.879 29.570 34.295 1.00 28.30原子2698 CB PRO A 37274.857 30.622 35.415 1.00 28.19原子2699 CG PRO A 37276.266 31.086 35.518 1.00 29.14原子2700 C PRO A 37273.564 29.642 33.508 1.00 28.82原子2701 O PRO A 37272.582 28.953 33.834 1.00 27.79原子2702 N LEU A 37373.544 30.479 32.466 1.00 28.69原子2703 CA LEU A 37372.353 30.643 31.627 1.00 29.17原子2704 CB LEU A 37372.618 31.651 30.508 1.00 29.53原子2705 CG LEU A 37372.437 33.126 30.866 1.00 30.15原子2706 CD1 LEU A 37372.479 33.987 29.604 1.00 31.19原子2707 CD2 LEU A 37371.139 33.342 31.623 1.00 26.78原子2708 C LEU A 37371.871 29.314 31.035 1.00 27.62原子2709 O LEU A 37370.722 29.202 30.623 1.00 28.74原子2710 N ALA A 37472.754 28.314 31.005 1.00 28.72原子2711 CA ALA A 37472.438 26.981 30.471 1.00 30.45原子2712 CB ALA A 37473.660 26.075 30.561 1.00 30.45原子2713 C ALA A 37471.227 26.313 31.142 1.00 31.42原子2714 O ALA A 37470.521 25.522 30.507 1.00 31.67原子2715 N THR A 37570.988 26.613 32.424 1.00 32.66原子2716 CA THR A 37569.860 26.010 33.149 1.00 32.06原子2717 CB THR A 37569.942 26.279 34.659 1.00 33.87原子2718 OG1 THR A 37569.884 27.667 34.951 1.00 36.94原子2719 CG2 THR A 37571.191 25.720 35.301 1.00 33.69原子2720 C THR A 37568.518 26.438 32.567 1.00 31.74原子2721 O THR A 37567.512 25.734 32.692 1.00 31.00原子2722 N ILE A 37668.513 27.581 31.898 1.00 32.30原子2723 CA ILE A 37667.300 28.075 31.261 1.00 32.02原子2724 CB ILE A 37667.176 29.614 31.381 1.00 33.14原子2725 CG2 ILE A 37666.145 30.159 30.401 1.00 33.69原子2726 CG1 ILE A 37666.805 30.016 32.806 1.00 31.53原子2727 CD1 ILE A 37667.100 31.466 33.115 1.00 31.64原子2728 C ILE A 37667.285 27.682 29.776 1.00 30.98原子2729 O ILE A 37666.274 27.222 29.257 1.00 31.62原子2730 N LEU A 37768.416 27.903 29.108 1.00 31.31原子2731 CA LEU A 37768.582 27.635 27.672 1.00 31.31原子2732 CB LEU A 37769.931 28.161 27.191 1.00 27.99原子2733 CG LEU A 37770.072 29.675 27.259 1.00 25.47原子2734 CD1 LEU A 37771.528 30.100 27.237 1.00 23.87原子2735 CD2 LEU A 37769.280 30.325 26.145 1.00 24.82
原子2736 C LEU A 37768.397 26.176 27.274 1.00 32.58原子2737 O LEU A 37767.801 25.887 26.231 1.00 32.49原子2738 N ILE A 37868.920 25.264 28.092 1.00 33.25原子2739 CA ILE A 37868.822 23.840 27.811 1.00 32.83原子2740 CB ILE A 37870.186 23.137 27.968 1.00 30.55原子2741 CG2 ILE A 37870.072 21.663 27.607 1.00 30.53原子2742 CG1 ILE A 37871.238 23.830 27.090 1.00 29.45原子2743 CD1 ILE A 37872.659 23.356 27.321 1.00 28.60原子2744 C ILE A 37867.771 23.171 28.697 1.00 35.98原子2745 O ILE A 37868.046 22.821 29.849 1.00 36.93原子2746 N PRO A 37966.544 22.982 28.162 1.00 36.15原子2747 CD PRO A 37966.146 23.369 26.796 1.00 36.55原子2748 CA PRO A 37965.447 22.345 28.899 1.00 36.01原子2749 CB PRO A 37964.261 22.395 27.925 1.00 35.91原子2750 CG PRO A 37964.863 22.617 26.579 1.00 36.09原子2751 C PRO A 37965.782 20.902 29.272 1.00 36.21原子2752 O PRO A 37966.574 20.251 28.587 1.00 37.18原子2753 N PRO A 38065.192 20.394 30.387 1.00 36.38原子2754 CD PRO A 38064.257 21.124 31.257 1.00 35.79原子2755 CA PRO A 38065.431 19.029 30.895 1.00 35.56原子2756 CB PRO A 38064.366 18.844 31.990 1.00 35.32原子2757 CG PRO A 38063.444 20.013 31.859 1.00 35.77原子2758 C PRO A 38065.319 17.928 29.836 1.00 35.35原子2759 O PRO A 38066.174 17.045 29.770 1.00 35.04原子2760 N HIS A 38164.269 17.975 29.019 1.00 36.71原子2761 CA HIS A 38164.055 16.967 27.977 1.00 38.77原子2762 CB HIS A 38162.675 17.142 27.341 1.00 39.92原子2763 CG HIS A 38162.575 18.337 26.441 1.00 40.52原子2764 CD2 HIS A 38162.183 19.613 26.696 1.00 40.13原子2765 ND1 HIS A 38162.924 18.305 25.105 1.00 40.43原子2766 CE1 HIS A 38162.754 19.508 24.578 1.00 39.78原子2767 NE2 HIS A 38162.305 20.319 25.523 1.00 39.78原子2768 C HIS A 38165.135 16.982 26.886 1.00 40.47原子2769 O HIS A 38165.301 15.998 26.165 1.00 41.54原子2770 N ALA A 38265.845 18.102 26.752 1.00 41.62原子2771 CA ALA A 38266.883 18.250 25.729 1.00 43.15原子2772 CB ALA A 38266.857 19.662 25.151 1.00 42.23原子2773 C ALA A 38268.281 17.921 26.250 1.00 44.64原子2774 O ALA A 38269.198 17.672 25.460 1.00 44.18原子2775 N ARG A 38368.454 17.934 27.572 1.00 46.22原子2776 CA ARG A 38369.757 17.648 28.167 1.00 47.97原子2777 CB ARG A 38369.736 17.948 29.663 1.00 48.04原子2778 CG ARG A 38369.744 19.445 29.958 1.00 49.84原子2779 CD ARG A 38369.740 19.742 31.451 1.00 49.31原子2780 NE ARG A 38368.841 20.849 31.789 1.00 50.09原子2781 CZ ARG A 38368.325 21.059 33.011 1.00 51.14原子2782 NH1 ARG A 38368.671 20.282 34.040 1.00 50.04原子2783 NH2 ARG A 38367.467 22.059 33.207 1.00 50.78原子2784 C ARG A 38370.202 16.208 27.888 1.00 49.14原子2785 O ARG A 38369.405 15.269 27.951 1.00 49.60原子2786 N ILE A 38471.485 16.064 27.544 1.00 50.06原子2787 CA ILE A 38472.086 14.770 27.210 1.00 51.09原子2788 CB ILE A 38472.710 14.801 25.795 1.00 51.18原子2789 CG2 ILE A 38472.959 13.393 25.280 1.00 52.93
原子2790 CG1 ILE A 384 71.819 15.577 24.825 1.00 50.79原子2791 CD1 ILE A 384 72.542 16.695 24.105 1.00 52.35原子2792 CILE A 384 73.170 14.372 28.219 1.00 51.65原子2793 OT1 ILE A 384 73.644 15.255 28.970 1.00 51.89原子2794 OXT ILE A 384 73.537 13.175 28.250 1.00 52.45TER 2795 ILE A 384原子2796 CB VAL B 3736.802 77.140 -23.975 1.00 51.55原子2797 CG1 VAL B 3735.939 76.007 -23.436 1.00 50.87原子2798 CG2 VAL B 3735.933 78.188 -24.660 1.00 51.89原子2799 CVAL B 3738.541 76.737 -22.201 1.00 51.79原子2800 OVAL B 3739.596 76.390 -22.744 1.00 52.10原子2801 NVAL B 3738.437 78.942 -23.333 1.00 51.63原子2802 CA VAL B 3737.637 77.786 -22.844 1.00 51.54原子2803 NTHR B 3838.120 76.245 -21.032 1.00 51.45原子2804 CA THR B 3838.872 75.239 -20.274 1.00 49.87原子2805 CB THR B 3838.764 73.832 -20.899 1.00 50.03原子2806 OG1 THR B 3839.783 72.969 -20.422 1.00 50.26原子2807 CG2 THR B 3838.796 73.804 -22.412 1.00 50.44原子2808 CTHR B 3840.329 75.658 -20.045 1.00 48.71原子2809 OTHR B 3841.244 75.175 -20.712 1.00 49.59原子2810 NTHR B 3940.526 76.558 -19.083 1.00 46.30原子2811 CA THR B 3941.852 77.053 -18.729 1.00 43.19原子2812 CB THR B 3941.750 78.464 -18.147 1.00 43.29原子2813 OG1 THR B 3940.832 79.264 -18.874 1.00 44.92原子2814 CG2 THR B 3943.072 79.196 -18.077 1.00 43.86原子2815 CTHR B 3942.495 76.141 -17.695 1.00 41.22原子2816 OTHR B 3941.838 75.709 -16.753 1.00 42.40原子2817 NVAL B 4043.783 75.871 -17.864 1.00 38.57原子2818 CA VAL B 4044.520 75.032 -16.930 1.00 35.10原子2819 CB VAL B 4045.089 73.765 -17.593 1.00 34.50原子2820 CG1 VAL B 4045.866 72.929 -16.583 1.00 34.63原子2821 CG2 VAL B 4043.965 72.949 -18.199 1.00 32.73原子2822 CVAL B 4045.632 75.836 -16.278 1.00 34.58原子2823 OVAL B 4046.470 76.440 -16.961 1.00 34.85原子2824 NVAL B 4145.616 75.871 -14.953 1.00 31.60原子2825 CA VAL B 4146.603 76.629 -14.205 1.00 29.68原子2826 CB VAL B 4145.963 77.919 -13.625 1.00 30.25原子2827 CG1 VAL B 4145.113 77.614 -12.395 1.00 30.02原子2828 CG2 VAL B 4147.023 78.955 -13.300 1.00 31.38原子2829 CVAL B 4147.175 75.798 -13.066 1.00 27.96原子2830 OVAL B 4146.525 74.886 -12.576 1.00 26.60原子2831 NALA B 4248.373 76.145 -12.630 1.00 28.15原子2832 CA ALA B 4248.993 75.450 -11.505 1.00 29.54原子2833 CB ALA B 4250.484 75.244 -11.733 1.00 28.92原子2834 CALA B 4248.742 76.280 -10.249 1.00 29.48原子2835 OALA B 4249.269 77.381 -10.122 1.00 28.42原子2836 NTHR B 4347.904 75.767 -9.349 1.00 30.71原子2837 CA THR B 4347.558 76.496 -8.120 1.00 33.11原子2838 CB THR B 4346.168 77.126 -8.288 1.00 35.28原子2839 OG1 THR B 4345.614 77.507 -7.040 1.00 42.46原子2840 CG2 THR B 4345.166 76.232 -8.980 1.00 35.35原子2841 CTHR B 4347.569 75.605 -6.871 1.00 32.03原子2842 OTHR B 4347.210 74.437 -6.942 1.00 31.25原子2843 NPRO B 4448.002 76.153 -5.704 1.00 32.19原子2844 CD PRO B 4448.501 77.503 -5.521 1.00 34.09
原子2845 CA PRO B 4448.067 75.431 -4.431 1.00 32.79原子2846 CB PRO B 4449.192 76.165 -3.672 1.00 32.20原子2847 CG PRO B 4449.639 77.267 -4.578 1.00 31.97原子2848 C PRO B 4446.773 75.558 -3.632 1.00 31.84原子2849 O PRO B 4446.099 76.586 -3.680 1.00 28.42原子2850 N GLY B 4546.452 74.512 -2.872 1.00 35.47原子2851 CA GLY B 4545.257 74.538 -2.036 1.00 39.23原子2852 C GLY B 4545.504 75.287 -0.729 1.00 41.21原子2853 O GLY B 4546.462 76.060 -0.623 1.00 38.55原子2854 N GLN B 4644.650 75.046 0.274 1.00 46.75原子2855 CA GLN B 4644.793 75.693 1.588 1.00 48.74原子2856 CB GLN B 4643.484 76.341 2.035 1.00 50.72原子2857 CG GLN B 4642.261 75.448 1.895 1.00 53.41原子2858 CD GLN B 4641.122 75.883 2.795 1.00 53.10原子2859 OE1 GLN B 4640.767 77.064 2.841 1.00 53.10原子2860 NE2 GLN B 4640.544 74.926 3.518 1.00 53.76原子2861 C GLN B 4645.320 74.716 2.647 1.00 50.13原子2862 O GLN B 4644.619 74.359 3.603 1.00 50.65原子2863 N GLY B 4746.570 74.298 2.458 1.00 50.48原子2864 CA GLY B 4747.236 73.375 3.366 1.00 51.37原子2865 C GLY B 4748.740 73.407 3.156 1.00 51.41原子2866 O GLY B 4749.328 74.487 3.092 1.00 52.08原子2867 N PRO B 4849.339 72.184 2.925 1.00 51.20原子2868 CD PRO B 4849.147 71.119 3.933 1.00 51.98原子2869 CA PRO B 4850.809 71.950 2.537 1.00 50.93原子2870 CB PRO B 4850.961 70.469 2.445 1.00 51.77原子2871 CG PRO B 4850.174 70.062 3.621 1.00 51.47原子2872 C PRO B 4851.163 72.527 1.240 1.00 49.84原子2873 O PRO B 4851.079 71.800 0.266 1.00 50.79原子2874 N ASP B 4951.537 73.731 1.055 1.00 48.06原子2875 CA ASP B 4951.732 74.195 -0.333 1.00 47.60原子2876 CB ASP B 4953.022 74.936 -0.423 1.00 48.55原子2877 CG ASP B 4952.835 76.305 0.221 1.00 50.19原子2878 OD1 ASP B 4952.171 77.158 -0.396 1.00 52.20原子2879 OD2 ASP B 4953.335 76.504 1.351 1.00 51.50原子2880 C ASP B 4951.479 73.199 -1.498 1.00 45.81原子2881 O ASP B 4950.386 73.287 -2.046 1.00 45.95原子2882 N ARG B 5052.319 72.257 -1.958 1.00 42.31原子2883 CA ARG B 5051.892 71.327 -3.084 1.00 40.48原子2884 CB ARG B 5051.271 70.083 -2.442 1.00 41.47原子2885 CG ARG B 5050.732 69.037 -3.397 1.00 44.10原子2886 CD ARG B 5050.762 67.634 -2.780 1.00 46.35原子2887 NE ARG B 5049.679 67.438 -1.813 1.00 51.22原子2888 CZ ARG B 5049.855 67.035 -0.542 1.00 51.26原子2889 NH1 ARG B 5051.069 66.787 -0.075 1.00 51.16原子2890 NH2 ARG B 5048.804 66.876 0.261 1.00 51.87原子2891 C ARG B 5050.922 71.887 -4.203 1.00 35.73原子2892 O ARG B 5049.752 71.523 -4.252 1.00 34.77原子2893 N PRO B 5151.446 72.766 -5.084 1.00 33.78原子2894 CD PRO B 5152.801 73.315 -4.963 1.00 33.89原子2895 CA PRO B 5150.736 73.310 -6.258 1.00 33.19原子2896 CB PRO B 5151.750 74.263 -6.894 1.00 31.56原子2897 CG PRO B 5152.736 74.552 -5.816 1.00 33.65原子2898 C PRO B 5150.373 72.199 -7.238 1.00 31.20
原子2899 O PRO B 5151.215 71.378 -7.590 1.00 33.41原子2900 N GLN B 5249.115 72.159 -7.645 1.00 30.94原子2901 CA GLN B 5248.631 71.128 -8.559 1.00 30.72原子2902 CB GLN B 5247.668 70.192 -7.822 1.00 32.26原子2903 CG GLN B 5246.545 70.921 -7.099 1.00 34.16原子2904 CD GLN B 5245.411 70.001 -6.697 1.00 37.58原子2905 OE1 GLN B 5244.489 69.751 -7.480 1.00 39.21原子2906 NE2 GLN B 5245.466 69.492 -5.466 1.00 38.21原子2907 C GLN B 5247.933 71.726 -9.785 1.00 29.17原子2908 O GLN B 5247.461 72.863 -9.763 1.00 26.63原子2909 N GLU B 5347.858 70.940 -10.851 1.00 29.44原子2910 CA GLU B 5347.206 71.378 -12.086 1.00 29.61原子2911 CB GLU B 5347.528 70.400 -13.220 1.00 30.96原子2912 CG GLU B 5348.757 70.782 -14.031 1.00 33.49原子2913 CD GLU B 5348.861 70.022 -15.351 1.00 36.32原子2914 OE1 GLU B 5349.955 69.489 -15.639 1.00 35.83原子2915 OE2 GLU B 5347.849 69.963 -16.098 1.00 36.83原子2916 C GLU B 5345.693 71.502 -11.900 1.00 28.07原子2917 O GLU B 5345.045 70.562 -11.459 1.00 29.41原子2918 N VAL B 5445.138 72.674 -12.234 1.00 27.34原子2919 CA VAL B 5443.701 72.922 -12.096 1.00 27.42原子2920 CB VAL B 5443.395 73.879 -10.921 1.00 26.77原子2921 CG1 VAL B 5441.970 74.411 -11.018 1.00 26.06原子2922 CG2 VAL B 5443.608 73.179 -9.586 1.00 28.23原子2923 C VAL B 5443.110 73.507 -13.382 1.00 28.07原子2924 O VAL B 5443.619 74.490 -13.924 1.00 30.35原子2925 N SER B 5542.033 72.900 -13.861 1.00 28.47原子2926 CA SER B 5541.378 73.363 -15.083 1.00 29.26原子2927 CB SER B 5541.358 72.252 -16.140 1.00 27.83原子2928 OG SER B 5542.566 71.509 -16.135 1.00 30.97原子2929 C SER B 5539.963 73.853 -14.815 1.00 28.63原子2930 O SER B 5539.209 73.238 -14.063 1.00 29.48原子2931 N TYR B 5639.600 74.958 -15.447 1.00 29.65原子2932 CA TYR B 5638.267 75.513 -15.286 1.00 31.29原子2933 CB TYR B 5638.209 76.490 -14.110 1.00 29.12原子2934 CG TYR B 5639.108 77.699 -14.233 1.00 26.96原子2935 CD1 TYR B 5640.371 77.712 -13.651 1.00 27.72原子2936 CE1 TYR B 5641.183 78.825 -13.737 1.00 27.52原子2937 CD2 TYR B 5638.686 78.833 -14.903 1.00 24.94原子2938 CE2 TYR B 5639.495 79.947 -14.998 1.00 26.38原子2939 CZ TYR B 5640.740 79.940 -14.413 1.00 26.96原子2940 OH TYR B 5641.544 81.057 -14.497 1.00 29.38原子2941 C TYR B 5637.792 76.184 -16.561 1.00 32.84原子2942 O TYR B 5638.585 76.736 -17.311 1.00 34.73原子2943 N THR B 5736.495 76.137 -16.798 1.00 35.16原子2944 CA THR B 5735.925 76.747 -17.988 1.00 37.24原子2945 CB THR B 5735.620 75.668 -19.030 1.00 36.42原子2946 OG1 THR B 5735.393 76.247 -20.300 1.00 38.30原子2947 CG2 THR B 5734.434 74.796 -18.685 1.00 34.17原子2948 C THR B 5734.665 77.545 -17.667 1.00 38.22原子2949 O THR B 5734.196 77.556 -16.529 1.00 38.82原子2950 N ASP B 5834.117 78.198 -18.691 1.00 38.92原子2951 CA ASP B 5832.898 78.991 -18.557 1.00 38.50原子2952 CB ASP B 5831.737 78.118 -18.060 1.00 40.09
原子2953 CG ASP B 5831.472 76.911 -18.950 1.00 41.34原子2954 OD1 ASP B 5830.854 75.941 -18.464 1.00 42.69原子2955 OD2 ASP B 5831.878 76.934 -20.133 1.00 43.89原子2956 C ASP B 5833.100 80.211 -17.660 1.00 38.07原子2957 O ASP B 5832.332 80.445 -16.729 1.00 39.03原子2958 N THR B 5934.137 80.984 -17.960 1.00 38.28原子2959 CA THR B 5934.465 82.187 -17.209 1.00 39.15原子2960 CB THR B 5935.838 82.701 -17.622 1.00 38.09原子2961 OG1 THR B 5936.825 81.710 -17.404 1.00 38.32原子2962 CG2 THR B 5936.263 83.960 -16.897 1.00 40.41原子2963 C THR B 5933.401 83.263 -17.411 1.00 40.95原子2964 O THR B 5932.946 83.499 -18.535 1.00 43.05原子2965 N LYS B 6032.988 83.897 -16.315 1.00 41.08原子2966 CA LYS B 6031.949 84.922 -16.372 1.00 39.78原子2967 CB LYS B 6030.588 84.226 -16.264 1.00 39.82原子2968 CG LYS B 6029.422 85.144 -15.953 1.00 40.01原子2969 CD LYS B 6028.092 84.454 -16.237 1.00 40.00原子2970 CE LYS B 6027.314 84.172 -14.961 1.00 40.98原子2971 NZ LYS B 6026.271 85.203 -14.710 1.00 42.05原子2972 C LYS B 6032.121 85.947 -15.255 1.00 39.73原子2973 O LYS B 6032.221 85.585 -14.083 1.00 40.11原子2974 N VAL B 6132.146 87.229 -15.621 1.00 39.35原子2975 CA VAL B 6132.297 88.292 -14.631 1.00 37.83原子2976 CB VAL B 6132.684 89.640 -15.272 1.00 37.73原子2977 CG1 VAL B 6132.348 90.802 -14.347 1.00 37.25原子2978 CG2 VAL B 6134.167 89.649 -15.620 1.00 36.79原子2979 C VAL B 6131.025 88.442 -13.805 1.00 37.38原子2980 O VAL B 6129.979 88.845 -14.320 1.00 36.86原子2981 N ILE B 6231.126 88.100 -12.524 1.00 35.32原子2982 CA ILE B 6229.993 88.177 -11.613 1.00 33.49原子2983 CB ILE B 6229.849 86.898 -10.774 1.00 34.06原子2984 CG2 ILE B 6229.257 85.777 -11.616 1.00 33.69原子2985 CG1 ILE B 6231.200 86.490 -10.183 1.00 32.38原子2986 CD1 ILE B 6231.092 85.548 -9.009 1.00 31.62原子2987 C ILE B 6230.070 89.381 -10.676 1.00 31.70原子2988 O ILE B 6229.042 89.855 -10.203 1.00 32.94原子2989 N GLY B 6331.279 89.865 -10.400 1.00 30.66原子2990 CA GLY B 6331.414 91.001 -9.505 1.00 29.23原子2991 C GLY B 6332.670 91.809 -9.732 1.00 29.90原子2992 O GLY B 6333.393 91.593 -10.708 1.00 31.54原子2993 N ASN B 6432.927 92.756 -8.827 1.00 30.27原子2994 CA ASN B 6434.103 93.619 -8.924 1.00 31.14原子2995 CB ASN B 6434.065 94.478 -10.203 1.00 32.39原子2996 CG ASN B 6433.188 95.722 -10.099 1.00 34.17原子2997 OD1 ASN B 6432.086 95.689 -9.543 1.00 35.90原子2998 ND2 ASN B 6433.674 96.828 -10.646 1.00 34.72原子2999 C ASN B 6434.282 94.489 -7.681 1.00 30.61原子3000 O ASN B 6433.497 94.413 -6.738 1.00 31.75原子3001 N GLY B 6535.328 95.309 -7.694 1.00 29.88原子3002 CA GLY B 6535.617 96.185 -6.578 1.00 28.45原子3003 C GLY B 6536.936 96.903 -6.745 1.00 28.07原子3004 O GLY B 6537.622 96.729 -7.748 1.00 29.15原子3005 N SER B 6637.287 97.708 -5.755 1.00 27.55原子3006 CA SER B 6638.531 98.481 -5.747 1.00 26.86
原子3007 CB SER B 6638.573 99.363 -4.498 1.00 31.61原子3008 OG SER B 6638.374 98.581 -3.325 1.00 36.30原子3009 C SER B 6639.763 97.584 -5.766 1.00 26.13原子3010 O SER B 6640.881 98.061 -5.979 1.00 26.30原子3011 N PHE B 6739.551 96.290 -5.538 1.00 24.20原子3012 CA PHE B 6740.625 95.303 -5.526 1.00 23.70原子3013 CB PHE B 6740.308 94.201 -4.519 1.00 19.77原子3014 CG PHE B 6739.001 93.542 -4.787 1.00 21.78原子3015 CD1 PHE B 6737.892 93.860 -4.036 1.00 19.62原子3016 CD2 PHE B 6738.875 92.622 -5.816 1.00 22.71原子3017 CE1 PHE B 6736.676 93.276 -4.297 1.00 20.09原子3018 CE2 PHE B 6737.662 92.029 -6.084 1.00 21.51原子3019 CZ PHE B 6736.558 92.359 -5.322 1.00 23.29原子3020 C PHE B 6740.827 94.686 -6.917 1.00 25.04原子3021 O PHE B 6741.933 94.267 -7.250 1.00 25.12原子3022 N GLY B 6839.749 94.643 -7.724 1.00 27.00原子3023 CA GLY B 6839.842 94.097 -9.070 1.00 25.19原子3024 C GLY B 6838.965 92.885 -9.349 1.00 25.52原子3025 O GLY B 6839.227 91.803 -8.847 1.00 29.19原子3026 N VAL B 6937.969 93.092 -10.211 1.00 25.48原子3027 CA VAL B 6936.987 92.107 -10.735 1.00 23.30原子3028 CB VAL B 6937.163 91.960 -12.266 1.00 24.41原子3029 CG1 VAL B 6936.106 91.032 -12.863 1.00 21.84原子3030 CG2 VAL B 6937.125 93.329 -12.934 1.00 25.19原子3031 C VAL B 6936.976 90.698 -10.128 1.00 22.00原子3032 O VAL B 6938.003 90.099 -9.872 1.00 21.55原子3033 N VAL B 7035.768 90.154 -9.986 1.00 22.14原子3034 CA VAL B 7035.551 88.799 -9.489 1.00 24.12原子3035 CB VAL B 7034.625 88.783 -8.250 1.00 24.16原子3036 CG1 VAL B 7034.275 87.355 -7.860 1.00 22.28原子3037 CG2 VAL B 7035.280 89.508 -7.087 1.00 24.57原子3038 C VAL B 7034.906 87.961 -10.582 1.00 26.12原子3039 O VAL B 7033.887 88.354 -11.143 1.00 27.62原子3040 N TYR B 7135.508 86.821 -10.891 1.00 28.54原子3041 CA TYR B 7134.993 85.953 -11.941 1.00 30.91原子3042 CB TYR B 7136.127 85.503 -12.868 1.00 32.02原子3043 CG TYR B 7136.962 86.617 -13.438 1.00 33.80原子3044 CD1 TYR B 7136.682 87.152 -14.692 1.00 35.50原子3045 CE1 TYR B 7137.458 88.166 -15.224 1.00 35.76原子3046 CD2 TYR B 7138.040 87.128 -12.731 1.00 33.91原子3047 CE2 TYR B 7138.820 88.144 -13.251 1.00 36.55原子3048 CZ TYR B 7138.526 88.659 -14.499 1.00 36.56原子3049 OH TYR B 7139.302 89.670 -15.021 1.00 36.97原子3050 C TYR B 7134.308 84.712 -11.409 1.00 31.87原子3051 O TYR B 7134.533 84.288 -10.281 1.00 33.24原子3052 N GLN B 7233.521 84.102 -12.278 1.00 32.22原子3053 CA GLN B 7232.840 82.853 -11.989 1.00 33.30原子3054 CB GLN B 7231.331 82.971 -12.182 1.00 34.02原子3055 CG GLN B 7230.578 81.698 -11.824 1.00 36.90原子3056 CD GLN B 7229.132 81.713 -12.278 1.00 39.86原子3057 OE1 GLN B 7228.226 81.366 -11.518 1.00 40.64原子3058 NE2 GLN B 7228.907 82.110 -13.526 1.00 41.43原子3059 C GLN B 7233.414 81.805 -12.935 1.00 34.05原子3060 O GLN B 7234.009 82.152 -13.957 1.00 35.56
原子3061 N ALA B 7333.268 80.541 -12.600 1.00 33.40原子3062 CA ALA B 7333.809 79.497 -13.447 1.00 33.76原子3063 CB ALA B 7335.322 79.590 -13.514 1.00 33.45原子3064 C ALA B 7333.376 78.131 -12.976 1.00 34.42原子3065 O ALA B 7332.735 77.995 -11.940 1.00 35.38原子3066 N LYS B 7433.720 77.123 -13.758 1.00 35.98原子3067 CA LYS B 7433.357 75.754 -13.445 1.00 36.46原子3068 CB LYS B 7432.283 75.279 -14.435 1.00 38.65原子3069 CG LYS B 7431.862 73.821 -14.272 1.00 41.25原子3070 CD LYS B 7430.968 73.360 -15.422 1.00 42.84原子3071 CE LYS B 7429.534 73.854 -15.259 1.00 45.68原子3072 NZ LYS B 7428.787 73.877 -16.561 1.00 49.00原子3073 C LYS B 7434.579 74.854 -13.505 1.00 36.82原子3074 O LYS B 7435.262 74.798 -14.531 1.00 36.80原子3075 N LEU B 7534.841 74.141 -12.406 1.00 36.09原子3076 CA LEU B 7535.970 73.220 -12.354 1.00 36.88原子3077 CB LEU B 7536.156 72.640 -10.944 1.00 34.57原子3078 CG LEU B 7536.267 73.649 -9.794 1.00 33.76原子3079 CD1 LEU B 7536.456 72.925 -8.468 1.00 32.85原子3080 CD2 LEU B 7537.403 74.635 -10.039 1.00 30.51原子3081 C LEU B 7535.725 72.102 -13.360 1.00 38.27原子3082 O LEU B 7534.668 71.473 -13.355 1.00 36.48原子3083 N CYS B 7636.680 71.891 -14.253 1.00 40.83原子3084 CA CYS B 7636.536 70.879 -15.292 1.00 43.19原子3085 CB CYS B 7637.699 70.935 -16.276 1.00 42.51原子3086 SG CYS B 7637.745 72.478 -17.226 1.00 42.48原子3087 C CYS B 7636.301 69.480 -14.730 1.00 45.58原子3088 O CYS B 7635.391 68.777 -15.177 1.00 46.73原子3089 N ASP B 7737.101 69.088 -13.735 1.00 48.25原子3090 CA ASP B 7736.957 67.775 -13.097 1.00 49.99原子3091 CB ASP B 7738.021 67.589 -12.004 1.00 52.61原子3092 CG ASP B 7738.090 68.757 -11.026 1.00 55.04原子3093 OD1 ASP B 7737.638 68.587 -9.868 1.00 56.33原子3094 OD2 ASP B 7738.597 69.840 -11.418 1.00 55.51原子3095 C ASP B 7735.550 67.633 -12.513 1.00 50.49原子3096 O ASP B 7734.689 66.968 -13.092 1.00 51.15原子3097 N SER B 7835.316 68.306 -11.389 1.00 49.73原子3098 CA SER B 7834.013 68.317 -10.738 1.00 49.21原子3099 CB SER B 7834.181 68.391 -9.218 1.00 49.35原子3100 OG SER B 7835.081 69.425 -8.853 1.00 48.54原子3101 C SER B 7833.268 69.546 -11.231 1.00 48.71原子3102 O SER B 7833.792 70.651 -11.133 1.00 50.88原子3103 N GLY B 7932.077 69.354 -11.794 1.00 46.72原子3104 CA GLY B 7931.309 70.471 -12.337 1.00 44.51原子3105 C GLY B 7931.000 71.572 -11.340 1.00 43.20原子3106 O GLY B 7930.140 72.418 -11.595 1.00 43.40原子3107 N GLU B 8031.691 71.563 -10.207 1.00 42.11原子3108 CA GLU B 8031.487 72.557 -9.166 1.00 41.04原子3109 CB GLU B 8032.315 72.217 -7.922 1.00 41.90原子3110 CG GLU B 8031.699 71.145 -7.036 1.00 45.04原子3111 CD GLU B 8032.561 70.813 -5.831 1.00 47.24原子3112 OE1 GLU B 8033.698 70.335 -6.029 1.00 48.62原子3113 OE2 GLU B 8032.107 71.049 -4.688 1.00 48.59原子3114 C GLU B 8031.800 73.970 -9.649 1.00 39.68
原子3115 O GLU B 8032.860 74.236 -10.218 1.00 38.76原子3116 N LEU B 8130.873 74.875 -9.385 1.00 38.53原子3117 CA LEU B 8131.030 76.278 -9.742 1.00 36.65原子3118 CB LEU B 8129.657 76.960 -9.771 1.00 37.93原子3119 CG LEU B 8128.814 76.770 -11.032 1.00 38.35原子3120 CD1 LEU B 8127.597 75.903 -10.737 1.00 38.97原子3121 CD2 LEU B 8128.388 78.122 -11.583 1.00 39.14原子3122 C LEU B 8131.893 76.973 -8.693 1.00 35.35原子3123 O LEU B 8131.798 76.669 -7.502 1.00 35.32原子3124 N VAL B 8232.714 77.914 -9.127 1.00 32.39原子3125 CA VAL B 8233.556 78.646 -8.206 1.00 29.03原子3126 CB VAL B 8234.971 78.024 -8.085 1.00 30.73原子3127 CG1 VAL B 8234.905 76.603 -7.535 1.00 30.66原子3128 CG2 VAL B 8235.705 78.052 -9.421 1.00 32.95原子3129 C VAL B 8233.699 80.101 -8.626 1.00 28.50原子3130 O VAL B 8233.447 80.469 -9.783 1.00 27.83原子3131 N ALA B 8334.159 80.915 -7.693 1.00 24.36原子3132 CA ALA B 8334.415 82.306 -7.958 1.00 21.31原子3133 CB ALA B 8333.745 83.201 -6.929 1.00 22.68原子3134 C ALA B 8335.915 82.501 -7.956 1.00 21.78原子3135 O ALA B 8336.647 81.684 -7.407 1.00 26.14原子3136 N ILE B 8436.377 83.558 -8.578 1.00 21.94原子3137 CA ILE B 8437.798 83.847 -8.643 1.00 21.77原子3138 CB ILE B 8438.433 83.419 -9.987 1.00 22.25原子3139 CG2 ILE B 8439.949 83.531 -9.910 1.00 18.77原子3140 CG1 ILE B 8438.002 81.993 -10.360 1.00 18.57原子3141 CD1 ILE B 8439.021 81.226 -11.176 1.00 21.85原子3142 C ILE B 8437.973 85.323 -8.450 1.00 24.02原子3143 O ILE B 8437.587 86.101 -9.317 1.00 25.19原子3144 N LYS B 8538.502 85.699 -7.283 1.00 25.57原子3145 CA LYS B 8538.682 87.102 -6.923 1.00 26.87原子3146 CB LYS B 8539.024 87.238 -5.433 1.00 27.80原子3147 CG LYS B 8538.917 88.654 -4.919 1.00 27.48原子3148 CD LYS B 8538.186 88.713 -3.585 1.00 28.88原子3149 CE LYS B 8538.215 90.121 -3.004 1.00 29.25原子3150 NZ LYS B 8537.788 90.150 -1.571 1.00 31.82原子3151 C LYS B 8539.732 87.817 -7.777 1.00 28.36原子3152 O LYS B 8539.404 88.764 -8.475 1.00 32.62原子3153 N LYS B 8640.982 87.406 -7.725 1.00 27.30原子3154 CA LYS B 8642.012 88.079 -8.524 1.00 28.47原子3155 CB LYS B 8641.647 88.040 -10.024 1.00 29.75原子3156 CG LYS B 8642.626 88.785 -10.918 1.00 30.30原子3157 CD LYS B 8642.448 88.399 -12.385 1.00 31.97原子3158 CE LYS B 8643.646 88.817 -13.229 1.00 32.33原子3159 NZ LYS B 8643.528 90.223 -13.718 1.00 32.44原子3160 C LYS B 8642.191 89.526 -8.080 1.00 28.16原子3161 O LYS B 8641.398 90.390 -8.426 1.00 27.79原子3162 N VAL B 8743.237 89.787 -7.310 1.00 30.21原子3163 CA VAL B 8743.505 91.136 -6.81B 1.00 31.57原子3164 CB VAL B 8743.348 91.245 -5.275 1.00 30.87原子3165 CG1 VAL B 8742.229 90.345 -4.773 1.00 28.72原子3166 CG2 VAL B 8744.652 90.928 -4.564 1.00 30.54原子3167 C VAL B 8744.888 91.624 -7.228 1.00 32.63原子3168 O VAL B 8745.834 90.847 -7.301 1.00 32.63
原子3169 N LEU B 8844.994 92.923 -7.479 1.00 36.02原子3170 CA LEU B 8846.258 93.530 -7.864 1.00 38.65原子3171 CB LEU B 8846.027 94.939 -8.428 1.00 38.60原子3172 CG LEU B 8846.980 95.389 -9.542 1.00 39.38原子3173 CD1 LEU B 8846.418 96.600 -10.274 1.00 39.21原子3174 CD2 LEU B 8848.361 95.697 -8.981 1.00 38.72原子3175 C LEU B 8847.170 93.594 -6.654 1.00 41.80原子3176 O LEU B 8846.B64 94.277 -5.672 1.00 43.27原子3177 N GLN B 8948.277 92.867 -6.715 1.00 44.15原子3178 CA GLN B 8949.223 92.830 -5.608 1.00 46.43原子3179 CB GLN B 8949.313 91.407 -5.054 1.00 46.20原子3180 CG GLN B 8948.297 91.098 -3.973 1.00 47.54原子3181 CD GLN B 8948.617 91.789 -2.668 1.00 47.37原子3182 OE1 GLN B 8947.905 92.700 -2.245 1.00 49.60原子3183 NE2 GLN B 8949.695 91.361 -2.022 1.00 49.76原子3184 C GLN B 8950.618 93.309 -6.009 1.00 48.98原子3185 O GLN B 8950.911 93.544 -7.187 1.00 49.03原子3186 N ASP B 9051.481 93.419 -5.008 1.00 50.77原子3187 CA ASP B 9052.864 93.827 -5.202 1.00 52.86原子3188 CB ASP B 9053.067 95.278 -4.755 1.00 52.56原子3189 CG ASP B 9054.310 95.921 -5.352 1.00 52.43原子3190 OD1 ASP B 9054.173 96.967 -6.024 1.00 51.92原子3191 OD2 ASP B 9055.421 95.385 -5.141 1.00 52.38原子3192 C ASP B 9053.777 92.891 -4.409 1.00 54.65原子3193 O ASP B 9053.481 92.563 -3.252 1.00 55.24原子3194 N LYS B 9154.873 92.451 -5.039 1.00 55.69原子3195 CA LYS B 9155.824 91.507 -4.429 1.00 56.44原子3196 CB LYS B 9157.142 91.480 -5.177 1.00 56.74原子3197 CG LYS B 9157.101 90.724 -6.482 1.00 56.89原子3198 CD LYS B 9156.988 91.646 -7.701 1.00 56.85原子3199 CE LYS B 9158.103 91.365 -8.705 1.00 56.60原子3200 NZ LYS B 9159.228 92.329 -8.574 1.00 54.94原子3201 C LYS B 9156.118 91.932 -3.003 1.00 57.84原子3202 O LYS B 9156.174 91.130 -2.073 1.00 57.47原子3203 N ARG B 9256.293 93.242 -2.898 1.00 59.51原子3204 CA ARG B 9256.440 93.812 -1.612 1.00 60.32原子3205 CB ARG B 9256.567 95.344 -1.628 1.00 61.19原子3206 CG ARG B 9255.223 96.051 -1.807 1.00 62.74原子3207 CD ARG B 9255.091 97.310 -0.936 1.00 64.16原子3208 NE ARG B 9253.734 97.452 -0.383 1.00 64.89原子3209 CZ ARG B 9252.690 97.943 -1.040 1.00 65.15原子3210 NH1 ARG B 9252.815 98.353 -2.303 1.00 64.76原子3211 NH2 ARG B 9251.510 98.013 -0.431 1.00 65.43原子3212 C ARG B 9255.257 93.328 -0.871 1.00 60.27原子3213 O ARG B 9254.114 93.626 -1.167 1.00 60.72原子3214 N PHE B 9355.628 92.551 0.093 1.00 59.54原子3215 CA PHE B 9354.728 92.058 1.098 1.00 58.24原子3216 CB PHE B 9353.931 93.238 1.611 1.00 59.80原子3217 CG PHE B 9353.712 92.969 3.023 1.00 60.86原子3218 CD1 PHE B 9354.604 93.373 4.005 1.00 61.43原子3219 CD2 PHE B 9352.576 92.292 3.388 1.00 61.79原子3220 CE1 PHE B 9354.375 93.046 5.329 1.00 61.52原子3221 CE2 PHE B 9352.334 91.959 4.705 1.00 61.96原子3222 CZ PHE B 9353.237 92.338 5.680 1.00 62.16
原子3223 C PHE B 9353.820 90.9100.699 1.00 56.34原子3224 O PHE B 9353.778 90.473 -0.455 1.00 57.26原子3225 N LYS B 9453.119 90.3951.720 1.00 52.33原子3226 CA LYS B 9452.161 89.3001.568 1.00 48.31原子3227 CB LYS B 9452.287 88.2702.684 1.00 49.90原子3228 CG LYS B 9453.621 87.5462.734 1.00 52.02原子3229 CD LYS B 9453.888 86.9604.100 1.00 53.08原子3230 CE LYS B 9453.772 88.0295.182 1.00 54.32原子3231 NZ LYS B 9454.367 87.5696.472 1.00 55.37原子3232 C LYS B 9450.758 89.8721.626 1.00 44.39原子3233 O LYS B 9450.553 90.9372.204 1.00 45.14原子3234 N ASN B 9549.794 89.1771.034 1.00 39.77原子3235 CA ASN B 9548.405 89.6321.033 1.00 35.63原子3236 CB ASN B 9547.633 88.938 -0.097 1.00 32.69原子3237 CG ASN B 9546.296 89.579 -0.405 1.00 30.84原子3238 OD1 ASN B 9546.226 90.620 -1.056 1.00 31.82原子3239 ND2 ASN B 9545.223 88.9480.074 1.00 30.54原子3240 C ASN B 9547.767 89.3002.384 1.00 32.38原子3241 O ASN B 9547.910 88.1862.870 1.00 32.37原子3242 N ARG B 9647.078 90.2672.985 1.00 31.13原子3243 CA ARG B 9646.436 90.0584.287 1.00 27.36原子3244 CB ARG B 9645.985 91.3964.889 1.00 27.69原子3245 CG ARG B 9645.479 91.2886.331 1.00 28.43原子3246 CD ARG B 9646.149 92.3037.239 1.00 29.78原子3247 NE ARG B 9645.441 93.5807.248 1.00 30.41原子3248 CZ ARG B 9645.959 94.7207.709 1.00 30.73原子3249 NH1 ARG B 9647.204 94.7608.188 1.00 32.67原子3250 NH2 ARG B 9645.229 95.8277.690 1.00 31.28原子3251 C ARG B 9645.248 89.1164.158 1.00 26.30原子3252 O ARG B 9645.040 88.2374.995 1.00 24.70原子3253 N GLU B 9744.466 89.2983.098 1.00 24.76原子3254 CA GLU B 9743.303 88.4582.867 1.00 22.51原子3255 CB GLU B 9742.435 89.0031.733 1.00 24.93原子3256 CG GLU B 9741.267 88.1041.334 1.00 22.80原子3257 CD GLU B 9740.263 88.8120.447 1.00 21.64原子3258 OE1 GLU B 9739.079 88.4140.461 1.00 25.04原子3259 OE2 GLU B 9740.655 89.772 -0.253 1.00 21.61原子3260 C GLU B 9743.686 87.0092.621 1.00 21.52原子3261 O GLU B 9742.930 86.1092.985 1.00 24.82原子3262 N LEU B 9844.855 86.7782.014 1.00 19.37原子3263 CA LEU B 9845.308 85.4131.740 1.00 18.57原子3264 CB LEU B 9846.387 85.3710.664 1.00 16.63原子3265 CG LEU B 9846.977 83.9850.367 1.00 16.92原子3266 CD1 LEU B 9845.897 83.012 -0.077 1.00 13.54原子3267 CD2 LEU B 9848.094 84.072 -0.672 1.00 18.79原子3268 C LEU B 9845.811 84.7003.000 1.00 18.68原子3269 O LEU B 9845.533 83.5253.194 1.00 15.55原子3270 N GLN B 9946.560 85.4113.835 1.00 19.69原子3271 CA GLN B 9947.084 84.8125.058 1.00 23.79原子3272 CB GLN B 9948.052 85.7575.787 1.00 27.75原子3273 CG GLN B 9949.373 85.9885.059 1.00 33.53原子3274 CD GLN B 9950.471 84.9985.447 1.00 38.62原子3275 OE1 GLN B 9951.624 85.3845.657 1.00 39.28原子3276 NE2 GLN B 9950.124 83.7115.532 1.00 41.46
原子3277 C GLN B 99 45.934 84.3875.965 1.00 19.19原子3278 O GLN B 99 45.941 83.2976.508 1.00 19.09原子3279 N ILE B 10044.934 85.2446.074 1.00 19.23原子3280 CA ILE B 10043.747 84.9626.876 1.00 20.77原子3281 CB ILE B 10042.864 86.2217.025 1.00 18.98原子3282 CG2 ILE B 10041.433 85.8607.381 1.00 18.23原子3283 CG1 ILE B 10043.461 87.1698.068 1.00 17.33原子3284 CD1 ILE B 10042.907 88.5708.006 1.00 12.19原子3285 C ILE B 10042.921 83.7966.314 1.00 23.82原子3286 O ILE B 10042.554 82.8757.045 1.00 24.69原子3287 N MET B 10142.618 83.8395.017 1.00 24.18原子3288 CA MET B 10141.821 82.7864.379 1.00 24.19原子3289 CB MET B 10141.449 83.1822.953 1.00 26.26原子3290 CG MET B 10140.491 84.3462.889 1.00 28.56原子3291 SD MET B 10139.096 84.0231.802 1.00 37.47原子3292 CE MET B 10139.857 84.3360.207 1.00 35.49原子3293 C MET B 10142.497 81.4184.392 1.00 22.54原子3294 O MET B 10141.820 80.4004.397 1.00 23.04原子3295 N ARG B 10243.826 81.4024.391 1.00 23.08原子3296 CA ARG B 10244.595 80.1574.393 1.00 25.61原子3297 CB ARG B 10246.081 80.4644.248 1.00 26.73原子3298 CG ARG B 10246.515 80.7142.808 1.00 30.87原子3299 CD ARG B 10247.209 79.5042.214 1.00 29.82原子3300 NE ARG B 10248.581 79.8091.828 1.00 32.54原子3301 CZ ARG B 10249.489 78.8841.525 1.00 32.00原子3302 NH1 ARG B 10249.195 77.5901.632 1.00 31.74原子3303 NH2 ARG B 10250.699 79.2551.116 1.00 34.43原子3304 C ARG B 10244.382 79.3045.653 1.00 27.37原子3305 O ARG B 10244.565 78.0855.610 1.00 26.87原子3306 N LYS B 10344.025 79.9216.783 1.00 27.22原子3307 CA LYS B 10343.846 79.1388.011 1.00 27.60原子3308 CB LYS B 10344.393 79.8969.241 1.00 27.93原子3309 CG LYS B 10343.938 81.3349.368 1.00 27.88原子3310 CD LYS B 10345.024 82.1939.987 1.00 31.30原子3311 CE LYS B 10344.914 82.226 11.511 1.00 31.30原子3312 NZ LYS B 10345.771 83.294 12.115 1.00 31.93原子3313 C LYS B 10342.398 78.6988.240 1.00 25.91原子3314 O LYS B 10342.151 77.7789.016 1.00 28.69原子3315 N LEU B 10441.443 79.3487.585 1.00 25.04原子3316 CA LEU B 10440.035 79.0107.775 1.00 24.60原子3317 CB LEU B 10439.145 80.1957.467 1.00 24.10原子3318 CG LEU B 10439.554 81.5188.097 1.00 25.73原子3319 CD1 LEU B 10438.566 82.6157.698 1.00 22.14原子3320 CD2 LEU B 10439.648 81.3789.620 1.00 24.52原子3321 C LEU B 10439.533 77.7747.026 1.00 26.61原子3322 O LEU B 10439.899 77.5055.872 1.00 27.07原子3323 N ASP B 10538.639 77.0617.701 1.00 23.86原子3324 CA ASP B 10537.980 75.8777.182 1.00 24.16原子3325 CB ASP B 10538.895 74.6447.229 1.00 25.34原子3326 CG ASP B 10538.388 73.4886.369 1.00 27.01原子3327 OD1 ASP B 10537.178 73.4576.045 1.00 27.72原子3328 OD2 ASP B 10539.204 72.6116.017 1.00 31.45原子3329 C ASP B 10536.716 75.6447.990 1.00 22.82原子3330 O ASP B 10536.706 74.8428.904 1.00 24.78
原子3331 N HIS B 10635.667 76.395 7.670 1.00 23.73原子3332 CA HIS B 10634.410 76.312 8.391 1.00 24.16原子3333 CB HIS B 10634.305 77.498 9.376 1.00 26.05原子3334 CG HIS B 10633.192 77.392 10.378 1.00 24.58原子3335 CD2 HIS B 10633.198 76.989 11.672 1.00 24.11原子3336 ND1 HIS B 10631.887 77.723 10.089 1.00 24.83原子3337 CE1 HIS B 10631.138 77.526 11.157 1.00 25.65原子3338 NE2 HIS B 10631.912 77.080 12.129 1.00 21.29原子3339 C HIS B 10633.199 76.260 7.461 1.00 23.88原子3340 O HIS B 10633.111 77.000 6.475 1.00 25.00原子3341 N CYS B 10732.269 75.374 7.803 1.00 24.06原子3342 CA CYS B 10731.027 75.144 7.063 1.00 25.46原子3343 CB CYS B 10730.192 74.052 7.744 1.00 28.48原子3344 SG CYS B 10729.366 74.561 9.285 1.00 32.88原子3345 C CYS B 10730.178 76.393 6.856 1.00 25.19原子3346 O CYS B 10729.239 76.365 6.057 1.00 25.17原子3347 N ASN B 10830.485 77.486 7.569 1.00 23.81原子3348 CA ASN B 10829.705 78.721 7.424 1.00 21.66原子3349 CB ASN B 10829.032 79.128 8.746 1.00 24.36原子3350 CG ASN B 10827.872 78.227 9.127 1.00 24.89原子3351 OD1 ASN B 10827.861 77.637 10.213 1.00 26.27原子3352 ND2 ASN B 10826.883 78.117 8.242 1.00 25.27原子3353 C ASN B 10830.559 79.865 6.901 1.00 20.89原子3354 O ASN B 10830.171 81.034 6.993 1.00 20.76原子3355 N ILE B 10931.716 79.520 6.351 1.00 19.97原子3356 CA ILE B 10932.635 80.493 5.796 1.00 19.68原子3357 CB ILE B 10933.913 80.592 6.646 1.00 18.06原子3358 CG2 ILE B 10934.908 81.558 6.016 1.00 16.00原子3359 CG1 ILE B 10933.592 81.001 8.100 1.00 18.80原子3360 CD1 ILE B 10934.831 81.254 8.924 1.00 13.72原子3361 C ILE B 10933.032 80.077 4.364 1.00 21.70原子3362 O ILE B 10933.433 78.930 4.130 1.00 20.77原子3363 N VAL B 11032.940 81.012 3.419 1.00 21.55原子3364 CA VAL B 11033.320 80.709 2.041 1.00 21.63原子3365 CB VAL B 11033.105 81.906 1.105 1.00 22.38原子3366 CG1 VAL B 11034.312 82.830 1.105 1.00 22.92原子3367 CG2 VAL B 11032.790 81.412 0.300 1.00 27.31原子3368 C VAL B 11034.763 80.225 2.001 1.00 20.46原子3369 O VAL B 11035.683 80.934 2.375 1.00 22.12原子3370 N ARG B 11134.947 78.991 1.605 1.00 20.95原子3371 CA ARG B 11136.275 78.392 1.583 1.00 23.52原子3372 CB ARG B 11136.131 76.870 1.528 1.00 25.99原子3373 CG ARG B 11137.383 76.111 1.916 1.00 31.22原子3374 CD ARG B 11137.135 74.610 1.908 1.00 35.06原子3375 NE ARG B 11138.031 73.906 0.984 1.00 39.62原子3376 CZ ARG B 11137.618 73.149 -0.040 1.00 41.78原子3377 NH1 ARG B 11136.316 73.020 -0.324 1.00 42.77原子3378 NH2 ARG B 11138.518 72.522 -0.790 1.00 42.63原子3379 C ARG B 11137.144 78.871 0.410 1.00 24.24原子3380 O ARG B 11136.639 79.231 -0.652 1.00 25.26原子3381 N LEU B 11238.460 78.809 0.623 1.00 22.36原子3382 CA LEU B 11239.462 79.149 -0.373 1.00 22.52原子3383 CB LEU B 11240.598 79.988 0.223 1.00 21.19原子3384 CG LEU B 11241.887 80.060 -0.609 1.00 22.47
原子3385 CD1 LEU B 11241.740 81.070 -1.738 1.00 21.76原子3386 CD2 LEU B 11243.085 80.407 0.265 1.00 22.74原子3387 C LEU B 11240.020 77.841 -0.906 1.00 22.82原子3388 O LEU B 11240.875 77.221 -0.274 1.00 23.51原子3389 N ARG B 11339.493 77.410 -2.051 1.00 22.73原子3390 CA ARG B 11339.898 76.151 -2.682 1.00 21.00原子3391 CB ARG B 11339.011 75.873 -3.882 1.00 23.79原子3392 CG ARG B 11337.537 75.936 -3.562 1.00 22.88原子3393 CD ARG B 11336.966 74.547 -3.378 1.00 29.46原子3394 NE ARG B 11335.586 74.464 -3.842 1.00 31.60原子3395 CZ ARG B 11335.139 73.536 -4.679 1.00 30.00原子3396 NH1 ARG B 11335.958 72.627 -5.197 1.00 31.17原子3397 NH2 ARG B 11333.865 73.528 -5.005 1.00 34.17原子3398 C ARG B 11341.335 76.192 -3.134 1.00 18.67原子3399 O ARG B 11342.112 75.277 -2.876 1.00 19.77原子3400 N TYR B 11441.681 77.250 -3.828 1.00 19.73原子3401 CA TYR B 11443.031 77.415 -4.334 1.00 17.83原子3402 CB TYR B 11443.184 76.791 -5.736 1.00 18.92原子3403 CG TYR B 11442.707 75.373 -5.904 1.00 15.37原子3404 CD1 TYR B 11441.386 75.104 -6.166 1.00 17.28原子3405 CE1 TYR B 11440.948 73.811 -6.347 1.00 19.97原子3406 CD2 TYR B 11443.591 74.312 -5.825 1.00 17.10原子3407 CE2 TYR B 11443.162 73.019 -6.000 1.00 18.35原子3408 CZ TYR B 11441.841 72.777 -6.263 1.00 19.67原子3409 OH TYR B 11441.404 71.490 -6.446 1.00 26.72原子3410 C TYR B 11443.344 78.875 -4.473 1.00 15.22原子3411 O TYR B 11442.468 79.707 -4.467 1.00 17.51原子3412 N PHE B 11544.597 79.163 -4.665 1.00 17.48原子3413 CA PHE B 11545.039 80.510 -4.890 1.00 19.26原子3414 CB PHE B 11545.399 81.242 -3.594 1.00 18.79原子3415 CG PHE B 11546.608 80.724 -2.891 1.00 17.82原子3416 CD1 PHE B 11547.845 81.278 -3.127 1.00 17.38原子3417 CD2 PHE B 11546.498 79.690 -1.978 1.00 21.19原子3418 CE1 PHE B 11548.966 80.813 -2.468 1.00 21.69原子3419 CE2 PHE B 11547.613 79.214 -1.311 1.00 22.13原子3420 CZ PHE B 11548.852 79.777 -1.556 1.00 21.81原子3421 C PHE B 11546.206 80.448 -5.833 1.00 20.99原子3422 O PHE B 11546.956 79.495 -5.806 1.00 21.58原子3423 N PHE B 11646.365 81.441 -6.668 1.00 23.42原子3424 CA PHE B 11647.487 81.423 -7.589 1.00 23.63原子3425 CB PHE B 11647.263 80.485 -8.785 1.00 24.34原子3426 CG PHE B 11646.116 80.843 -9.690 1.00 23.63原子3427 CD1 PHE B 11646.322 81.640 -10.808 1.00 23.38原子3428 CD2 PHE B 11644.847 80.366 -9.435 1.00 21.16原子3429 CE1 PHE B 11645.270 81.952 -11.653 1.00 23.56原子3430 CE2 PHE B 11643.787 80.673 -10.269 1.00 24.99原子3431 CZ PHE B 11643.998 81.469 -11.386 1.00 22.81原子3432 C PHE B 11647.871 82.803 -8.025 1.00 24.48原子3433 O PHE B 11647.023 83.666 -8.224 1.00 25.63原子3434 N TYR B 11749.158 83.001 -8.169 1.00 27.57原子3435 CA TYR B 11749.668 84.268 -8.592 1.00 30.79原子3436 CB TYR B 11750.979 84.558 -7.894 1.00 30.32原子3437 CG TYR B 11750.828 84.766 -6.409 1.00 31.52原子3438 CD1 TYR B 11750.998 83.714 -5.525 1.00 32.20
原子3439 CE1 TYR B 11750.877 83.897 -4.162 1.00 33.83原子3440 CD2 TYR B 11750.527 86.011 -5.892 1.00 31.27原子3441 CE2 TYR B 11750.401 86.206 -4.526 1.00 34.81原子3442 CZ TYR B 11750.579 85.142 -3.666 1.00 34.02原子3443 OH TYR B 11750.464 85.328 -2.302 1.00 35.99原子3444 C TYR B 11749.856 84.252 -10.096 1.00 33.65原子3445 O TYR B 11750.534 83.379 -10.631 1.00 34.07原子3446 N SER B 11849.242 85.216 -10.764 1.00 37.02原子3447 CA SER B 11849.333 85.336 -12.208 1.00 39.81原子3448 CB SER B 11847.956 85.205 -12.857 1.00 38.58原子3449 OG SER B 11847.192 86.387 -12.690 1.00 38.24原子3450 C SER B 11849.957 86.667 -12.563 1.00 43.00原子3451 O SER B 11849.586 87.701 -12.005 1.00 43.48原子3452 N SER B 11950.909 86.638 -13.489 1.00 47.48原子3453 CA SER B 11951.593 87.851 -13.925 1.00 50.85原子3454 CB SER B 11952.586 87.527 -15.046 1.00 50.24原子3455 OG SER B 11953.919 87.542 -14.571 1.00 50.41原子3456 C SER B 11950.582 88.886 -14.412 1.00 53.19原子3457 O SER B 11949.580 88.539 -15.046 1.00 54.05原子3458 N GLY B 12050.847 90.151 -14.114 1.00 55.50原子3459 CA GLY B 12049.945 91.200 -14.543 1.00 59.54原子3460 C GLY B 12050.379 91.787 -15.869 1.00 62.44原子3461 O GLY B 12050.860 91.067 -16.752 1.00 63.06原子3462 N GLU B 12150.239 93.095 -16.006 1.00 64.20原子3463 CA GLU B 12150.649 93.770 -17.225 1.00 66.57原子3464 CB GLU B 12149.755 94.988 -17.490 1.00 67.06原子3465 CG GLU B 12148.261 94.741 -17.278 1.00 67.73原子3466 CD GLU B 12147.817 93.328 -17.636 1.00 68.42原子3467 OE1 GLU B 12147.922 92.945 -18.828 1.00 68.67原子3468 OE2 GLU B 12147.359 92.604 -16.723 1.00 67.90原子3469 C GLU B 12152.115 94.176 -17.098 1.00 67.64原子3470 O GLU B 12152.472 95.334 -17.317 1.00 68.09原子3471 N LYS B 12252.952 93.198 -16.705 1.00 69.00原子3472 CA LYS B 12254.382 93.412 -16.491 1.00 69.57原子3473 CB LYS B 12255.073 93.868 -17.792 1.00 70.71原子3474 CG LYS B 12255.288 92.745 -18.799 1.00 71.91原子3475 CD LYS B 12253.980 92.288 -19.436 1.00 72.78原子3476 CE LYS B 12253.547 90.925 -18.911 1.00 73.05原子3477 NZ LYS B 12252.474 90.319 -19.753 1.00 72.80原子3478 C LYS B 12254.578 94.407 -15.328 1.00 69.47原子3479 O LYS B 12254.018 94.190 -14.248 1.00 70.33原子3480 N LYS B 12355.351 95.490 -15.533 1.00 68.70原子3481 CA LYS B 12355.584 96.491 -14.479 1.00 67.63原子3482 CB LYS B 12354.274 97.231 -14.124 1.00 67.63原子3483 CG LYS B 12353.129 97.002 -15.102 1.00 67.45原子3484 CD LYS B 12352.314 98.268 -15.329 1.00 68.76原子3485 CE LYS B 12352.831 99.071 -16.521 1.00 69.10原子3486 NZ LYS B 12352.538 98.409 -17.828 1.00 68.94原子3487 C LYS B 12356.173 95.834 -13.223 1.00 66.56原子3488 O LYS B 12356.777 94.759 -13.300 1.00 66.55原子3489 N ASP B 12455.979 96.469 -12.065 1.00 65.01原子3490 CA ASP B 12456.471 95.911 -10.806 1.00 63.86原子3491 CB ASP B 12457.425 96.863 -10.081 1.00 64.99原子3492 CG ASP B 12458.593 96.115 -9.460 1.00 66.12
原子3493 OD1 ASP B 12458.352 95.082 -8.791 1.00 65.87原子3494 OD2 ASP B 12459.749 96.554 -9.653 1.00 67.14原子3495 C ASP B 12455.301 95.508 -9.911 1.00 62.01原子3496 O ASP B 12455.232 95.869 -8.729 1.00 61.22原子3497 N GLU B 12554.374 94.764 10.511 1.00 59.15原子3498 CA GLU B 12553.175 94.297 -9.842 1.00 55.30原子3499 CB GLU B 12552.028 95.276 -10.122 1.00 56.22原子3500 CG GLU B 12552.053 95.871 -11.528 1.00 56.42原子3501 CD GLU B 12550.810 96.673 -11.870 1.00 57.43原子3502 OE1 GLU B 12550.176 96.375 -12.911 1.00 56.96原子3503 OE2 GLU B 12550.474 97.601 -11.103 1.00 56.77原子3504 C GLU B 12552.785 92.906 -10.337 1.00 53.36原子3505 O GLU B 12553.303 92.413 -11.350 1.00 52.90原子3506 N VAL B 12651.855 92.288 -9.623 1.00 50.42原子3507 CA VAL B 12651.358 90.962 -9.969 1.00 46.95原子3508 CB VAL B 12652.242 89.843 -9.371 1.00 47.91原子3509 CG1 VAL B 12652.128 89.797 -7.851 1.00 48.65原子3510 CG2 VAL B 12651.889 88.500 -9.989 1.00 47.79原子3511 C VAL B 12649.911 90.802 -9.514 1.00 43.29原子3512 O VAL B 12649.384 91.659 -8.814 1.00 43.62原子3513 N TYR B 12749.271 89.716 -9.921 1.00 40.00原子3514 CA TYR B 12747.887 89.479 -9.545 1.00 37.12原子3515 CB TYR B 12746.986 89.395 -10.783 1.00 39.32原子3516 CG TYR B 12746.672 90.728 -11.434 1.00 42.49原子3517 CD1 TYR B 12747.438 91.197 -12.501 1.00 42.64原子3518 CE1 TYR B 12747.160 92.407 -13.109 1.00 42.93原子3519 CD2 TYR B 12745.612 91.513 -10.994 1.00 41.97原子3520 CE2 TYR B 12745.327 92.728 -11.597 1.00 43.42原子3521 CZ TYR B 12746.105 93.170 -12.656 1.00 43.75原子3522 OH TYR B 12745.822 94.377 -13.264 1.00 44.38原子3523 C TYR B 12747.727 88.203 -8.722 1.00 35.28原子3524 O TYR B 12748.171 87.126 -9.133 1.00 34.31原子3525 N LEU B 12847.045 88.327 -7.584 1.00 30.55原子3526 CA LEU B 12846.768 87.181 -6.727 1.00 26.58原子3527 CB LEU B 12846.858 87.554 -5.236 1.00 24.20原子3528 CG LEU B 12846.128 86.602 -4.280 1.00 22.15原子3529 CD1 LEU B 12846.759 85.218 -4.328 1.00 17.31原子3530 CD2 LEU B 12846.107 87.156 -2.854 1.00 22.87原子3531 C LEU B 12845.376 86.677 -7.040 1.00 22.48原子3532 O LEU B 12844.424 87.447 -7.019 1.00 24.60原子3533 N ASN B 12945.252 85.400 -7.333 1.00 21.14原子3534 CA ASN B 12943.949 84.834 -7.650 1.00 20.80原子3535 CB ASN B 12943.957 84.125 -9.013 1.00 21.81原子3536 CG ASN B 12944.312 85.073 -10.152 1.00 21.32原子3537 OD1 ASN B 12945.468 85.447 -10.318 1.00 22.73原子3538 ND2 ASN B 12943.312 85.479 -10.919 1.00 21.75原子3539 C ASN B 12943.472 83.893 -6.556 1.00 20.70原子3540 O ASN B 12944.151 82.936 -6.207 1.00 21.20原子3541 N LEU B 13042.302 84.183 -6.026 1.00 20.89原子3542 CA LEU B 13041.717 83.384 -4.974 1.00 21.65原子3543 CB LEU B 13041.290 84.270 -3.787 1.00 22.41原子3544 CG LEU B 13042.398 85.111 -3.150 1.00 22.43原子3545 CD1 LEU B 13041.814 86.206 -2.267 1.00 23.86原子3546 CD2 LEU B 13043.361 84.236 -2.370 1.00 22.19
原子3547 C LEU B 13040.533 82.634 -5.511 1.00 19.68原子3548 O LEU B 13039.582 83.240 -5.980 1.00 21.26原子3549 N VAL B 13140.600 81.314 -5.442 1.00 18.58原子3550 CA VAL B 13139.521 80.467 -5.926 1.00 20.51原子3551 CB VAL B 13140.056 79.204 -6.629 1.00 16.75原子3552 CG1 VAL B 13138.945 78.497 -7.366 1.00 14.65原子3553 CG2 VAL B 13141.199 79.561 -7.558 1.00 20.04原子3554 C VAL B 13138.620 80.082 -4.768 1.00 20.58原子3555 O VAL B 13138.929 79.179 -3.997 1.00 21.73原子3556 N LEU B 13237.536 80.827 -4.644 1.00 24.39原子3557 CA LEU B 13236.567 80.675 -3.572 1.00 25.11原子3558 CB LEU B 13236.152 82.066 -3.090 1.00 21.67原子3559 CG LEU B 13237.304 83.031 -2.830 1.00 24.26原子3560 CD1 LEU B 13236.902 84.472 -3.122 1.00 21.82原子3561 CD2 LEU B 13237.809 82.870 -1.403 1.00 22.44原子3562 C LEU B 13235.329 79.922 -3.985 1.00 27.80原子3563 O LEU B 13234.982 79.844 -5.172 1.00 29.52原子3564 N ASP B 13334.641 79.419 -2.972 1.00 27.43原子3565 CA ASP B 13333.388 78.709 -3.126 1.00 28.52原子3566 CB ASP B 13332.825 78.410 -1.728 1.00 30.97原子3567 CG ASP B 13333.214 77.071 -1.149 1.00 33.42原子3568 OD1 ASP B 13333.227 76.961 0.097 1.00 33.58原子3569 OD2 ASP B 13333.478 76.128 -1.931 1.00 35.77原子3570 C ASP B 13332.391 79.647 -3.766 1.00 28.01原子3571 O ASP B 13332.288 80.810 -3.362 1.00 27.90原子3572 N TYR B 13431.632 79.151 -4.724 1.00 27.47原子3573 CA TYR B 13430.627 79.985 -5.354 1.00 26.54原子3574 CB TYR B 13430.549 79.772 -6.873 1.00 27.48原子3575 CG TYR B 13429.531 80.682 -7.523 1.00 25.44原子3576 CD1 TYR B 13429.861 81.981 -7.866 1.00 25.68原子3577 CE1 TYR B 13428.932 82.831 -8.423 1.00 28.12原子3578 CD2 TYR B 13428.232 80.251 -7.756 1.00 27.07原子3579 CE2 TYR B 13427.296 81.095 -8.320 1.00 28.14原子3580 CZ TYR B 13427.654 82.384 -8.649 1.00 27.66原子3581 OH TYR B 13426.725 83.235 -9.198 1.00 32.43原子3582 C TYR B 13429.261 79.773 -4.722 1.00 26.49原子3583 O TYR B 13428.804 78.645 -4.546 1.00 29.00原子3584 N VAL B 13528.610 80.873 -4.410 1.00 26.03原子3585 CA VAL B 13527.281 80.857 -3.832 1.00 27.01原子3586 CB VAL B 13527.302 81.038 -2.296 1.00 27.39原子3587 CG1 VAL B 13525.928 80.771 -1.710 1.00 25.29原子3588 CG2 VAL B 13528.322 80.090 -1.680 1.00 26.48原子3589 C VAL B 13526.464 81.936 -4.532 1.00 28.41原子3590 0 VAL B 13526.934 83.059 -4.695 1.00 30.10原子3591 N PRO B 13625.267 81.581 -5.028 1.00 29.44原子3592 CD PRO B 13624.680 80.227 -4.933 1.00 29.98原子3593 CA PRO B 13624.411 82.496 -5.806 1.00 29.90原子3594 CB PRO B 13623.382 81.546 -6.434 1.00 30.14原子3595 CG PRO B 13623.287 80.419 -5.460 1.00 30.40原子3596 C PRO B 13623.696 83.605 -5.021 1.00 29.47原子3597 O PRO B 13623.857 84.783 -5.324 1.00 29.46原子3598 N GLU B 13722.860 83.229 -4.068 1.00 28.02原子3599 CA GLU B 13722.082 84.209 -3.315 1.00 29.48原子3600 CB GLU B 13720.783 83.560 -2.816 1.00 31.02
原子3601 CG GLU B 13719.533 83.933 -3.601 1.00 34.32原子3602 CD GLU B 13719.526 85.381 -4.047 1.00 37.83原子3603 OE1 GLU B 13719.693 85.627 -5.260 1.00 39.93原子3604 OE2 GLU B 13719.358 86.269 -3.185 1.00 39.76原子3605 C GLU B 13722.846 84.828 -2.138 1.00 27.83原子3606 O GLU B 13723.893 84.340 -1.733 1.00 28.10原子3607 N THR B 13822.266 85.890 -1.581 1.00 27.83原子3608 CA THR B 13822.806 86.602 -0.406 1.00 25.21原子3609 CB THR B 13823.650 87.814 -0.781 1.00 22.17原子3610 OG1 THR B 13822.851 88.827 -1.358 1.00 22.19原子3611 CG2 THR B 13824.827 87.524 -1.675 1.00 24.71原子3612 C THR B 13821.648 87.088 0.455 1.00 23.46原子3613 O THR B 13820.558 87.353 -0.061 1.00 22.29原子3614 N VAL B 13921.887 87.220 1.767 1.00 23.34原子3615 CA VAL B 13920.840 87.689 2.678 1.00 18.25原子3616 CB VAL B 13921.342 87.819 4.138 1.00 19.10原子3617 CG1 VAL B 13920.241 88.386 5.030 1.00 17.18原子3618 CG2 VAL B 13921.787 86.469 4.651 1.00 16.04原子3619 C VAL B 13920.263 89.013 2.201 1.00 16.00原子3620 O VAL B 13919.056 89.222 2.268 1.00 19.23原子3621 N TYR B 14021.131 89.892 1.696 1.00 17.31原子3622 CA TYR B 14020.701 91.194 1.182 1.00 18.53原子3623 CB TYR B 14021.873 91.978 0.586 1.00 17.88原子3624 CG TYR B 14021.438 93.261 -0.094 1.00 22.14原子3625 CD1 TYR B 14021.414 94.456 0.599 1.00 22.08原子3626 CE1 TYR B 14020.985 95.627 0.010 1.00 24.00原子3627 CD2 TYR B 14021.013 93.270 -1.424 1.00 25.34原子3628 CE2 TYR B 14020.585 94.439 -2.031 1.00 25.37原子3629 CZ TYR B 14020.572 95.618 -1.306 1.00 28.17原子3630 OH TYR B 14020.144 96.794 -1.898 1.00 29.68原子3631 C TYR B 14019.593 91.054 0.127 1.00 22.25原子3632 O TYR B 14018.589 91.764 0.177 1.00 23.33原子3633 N ARG B 14119.781 90.155 -0.844 1.00 25.14原子3634 CA ARG B 14118.782 89.976 -1.897 1.00 25.99原子3635 CB ARG B 14119.354 89.162 -3.062 1.00 29.20原子3636 CG ARG B 14120.159 90.003 -4.045 1.00 34.68原子3637 CD ARG B 14121.396 89.263 -4.550 1.00 39.35原子3638 NE ARG B 14121.049 88.183 -5.473 1.00 45.84原子3639 CZ ARG B 14120.518 88.374 -6.691 1.00 48.75原子3640 NH1 ARG B 14120.306 89.608 -7.159 1.00 50.02原子3641 NH2 ARG B 14120.204 87.324 -7.448 1.00 49.98原子3642 C ARG B 14117.532 89.321 -1.341 1.00 25.44原子3643 O ARG B 14116.410 89.751 -1.626 1.00 25.68原子3644 N VAL B 14217.716 88.287 -0.532 1.00 25.77原子3645 CA VAL B 14216.573 87.613 0.057 1.00 25.48原子3646 CB VAL B 14216.994 86.424 0.945 1.00 26.10原子3647 CG1 VAL B 14215.814 85.905 1.747 1.00 25.96原子3648 CG2 VAL B 14217.586 85.313 0.088 1.00 27.08原子3649 C VAL B 14215.734 88.610 0.850 1.00 25.06原子3650 O VAL B 14214.512 88.600 0.763 1.00 27.10原子3651 N ALA B 14316.409 89.489 1.598 1.00 25.37原子3652 CA ALA B 14315.738 90.521 2.397 1.00 25.38原子3653 CB ALA B 14316.744 91.238 3.283 1.00 23.30原子3654 C ALA B 14315.005 91.522 1.507 1.00 25.25
原子3655 O ALA B 14313.821 91.794 1.712 1.00 25.01原子3656 N ARG B 14415.714 92.060 0.508 1.00 27.14原子3657 CA ARG B 14415.125 93.023 -0.427 1.00 27.56原子3658 CB ARG B 14416.141 93.423 -1.499 1.00 28.99原子3659 CG ARG B 14415.608 94.477 -2.466 1.00 31.54原子3660 CD ARG B 14416.704 95.035 -3.353 1.00 32.11原子3661 NE ARG B 14417.293 94.000 -4.198 1.00 35.33原子3662 CZ ARG B 14418.226 94.223 -5.123 1.00 35.49原子3663 NH1 ARG B 14418.678 95.457 -5.357 1.00 35.51原子3664 NH2 ARG B 14418.709 93.199 -5.818 1.00 36.90原子3665 C ARG B 14413.872 92.448 -1.089 1.00 27.74原子3666 O ARG B 14412.865 93.147 -1.255 1.00 30.06原子3667 N HIS B 14513.930 91.171 -1.440 1.00 27.38原子3668 CA HIS B 14512.800 90.494 -2.057 1.00 29.82原子3669 CB HIS B 14513.153 89.033 -2.358 1.00 33.31原子3670 CG HIS B 14512.098 88.302 -3.123 1.00 38.70原子3671 CD2 HIS B 14511.584 87.058 -2.960 1.00 41.14原子3672 ND1 HIS B 14511.429 88.852 -4.202 1.00 41.54原子3673 CE1 HIS B 14510.549 87.978 -4.665 1.00 42.00原子3674 NE2 HIS B 14510.623 86.880 -3.929 1.00 41.98原子3675 C HIS B 14511.558 90.575 -1.167 1.00 29.00原子3676 O HIS B 14510.507 91.053 -1.598 1.00 30.08原子3677 N TYR B 14611.683 90.120 0.081 1.00 28.13原子3678 CA TYR B 14610.565 90.167 1.016 1.00 25.81原子3679 CB TYR B 14610.919 89.471 2.332 1.00 23.53原子3680 CG TYR B 14610.782 87.978 2.242 1.00 19.02原子3681 CD1 TYR B 14611.846 87.193 1.826 1.00 18.11原子3682 CE1 TYR B 14611.719 85.829 1.702 1.00 17.01原子3683 CD2 TYR B 146 9.581 87.357 2.536 1.00 19.30原子3684 CE2 TYR B 146 9.446 85.991 2.421 1.00 18.95原子3685 CZ TYR B 14610.520 85.233 2.001 1.00 18.86原子3686 OH TYR B 14610.388 83.873 1.879 1.00 23.47原子3687 C TYR B 14610.133 91.603 1.271 1.00 26.52原子3688 O TYR B 146 8.943 91.910 1.271 1.00 27.02原子3689 N SER B 14711.114 92.476 1.480 1.00 29.00原子3690 CA SER B 14710.864 93.890 1.737 1.00 31.27原子3691 CB SER B 14712.189 94.631 1.913 1.00 32.96原子3692 OG SER B 14712.065 95.669 2.870 1.00 37.24原子3693 C SER B 14710.040 94.540 0.622 1.00 33.59原子3694 O SER B 147 9.102 95.290 0.894 1.00 34.13原子3695 N ARG B 14810.392 94.254 -0.635 1.00 34.97原子3696 CA ARG B 148 9.671 94.825 -1.774 1.00 35.55原子3697 CB ARG B 14810.387 94.494 -3.085 1.00 36.04原子3698 CG ARG B 14811.721 95.209 -3.245 1.00 36.48原子3699 CD ARG B 14812.555 94.593 -4.360 1.00 37.75原子3700 NE ARG B 14813.591 95.508 -4.847 1.00 40.00原子3701 CZ ARG B 14814.421 95.236 -5.860 1.00 40.69原子3702 NH1 ARG B 14814.359 94.070 -6.494 1.00 40.58原子3703 NH2 ARG B 14815.321 96.137 -6.237 1.00 41.76原子3704 C ARG B 148 8.228 94.325 -1.816 1.00 35.37原子3705 O ARG B 148 7.309 95.082 -2.131 1.00 36.98原子3706 N ALA B 149 8.032 93.053 -1.484 1.00 34.57原子3707 CA ALA B 149 6.697 92.460 -1.476 1.00 33.48原子3708 CB ALA B 149 6.780 90.956 -1.675 1.00 33.34
原子3709 C ALA B 1495.918 92.790 -0.203 1.00 33.34原子3710 O ALA B 1494.840 92.2530.004 1.00 32.82原子3711 N LYS B 1506.469 93.6760.644 1.00 35.63原子3712 CA LYS B 1505.824 94.0761.899 1.00 35.93原子3713 CB LYS B 1504.575 94.9161.624 1.00 36.80原子3714 CG LYS B 1504.887 96.3301.157 1.00 37.59原子3715 CD LYS B 1505.543 97.1622.254 1.00 38.68原子3716 CE LYS B 1506.378 98.3021.674 1.00 39.17原子3717 NZ LYS B 1505.826 99.6462.024 1.00 40.69原子3718 C LYS B 1505.486 92.8512.745 1.00 35.84原子3719 O LYS B 1504.357 92.6583.192 1.00 35.50原子3720 N GLN B 1516.495 92.0262.938 1.00 36.24原子3721 CA GLN B 1516.387 90.8023.701 1.00 35.89原子3722 CB GLN B 1516.400 89.6052.749 1.00 37.28原子3723 CG GLN B 1515.187 88.7032.839 1.00 38.89原子3724 CD GLN B 1514.668 88.3161.467 1.00 41.33原子3725 OE1 GLN B 1515.446 88.0660.541 1.00 41.35原子3726 NE2 GLN B 1513.347 88.2681.330 1.00 42.23原子3727 C GLN B 1517.583 90.6874.612 1.00 35.52原子3728 O GLN B 1518.669 91.1664.285 1.00 35.18原子3729 N THR B 1527.394 90.0335.741 1.00 35.74原子3730 CA THR B 1528.482 89.8436.677 1.00 35.93原子3731 CB THR B 1527.980 89.9478.131 1.00 36.72原子3732 OG1 THR B 1528.812 89.2219.025 1.00 40.21原子3733 CG2 THR B 1526.551 89.4878.337 1.00 36.78原子3734 C THR B 1529.145 88.5006.416 1.00 32.95原子3735 O THR B 1528.466 87.5016.200 1.00 33.95原子3736 N LEU B 153 10.464 88.4746.438 1.00 31.92原子3737 CA LEU B 153 11.184 87.2326.217 1.00 30.87原子3738 CB LEU B 153 12.686 87.5086.165 1.00 31.70原子3739 CG LEU B 153 13.605 86.3015.982 1.00 32.12原子3740 CD1 LEU B 153 13.379 85.6484.627 1.00 32.63原子3741 CD2 LEU B 153 15.055 86.7216.139 1.00 33.53原子3742 C LEU B 153 10.860 86.2777.356 1.00 30.19原子3743 O LEU B 153 11.119 86.5948.510 1.00 31.69原子3744 N PRO B 154 10.266 85.1027.055 1.00 29.41原子3745 CD PRO B 1549.898 84.6405.696 1.00 27.70原子3746 CA PRO B 1549.891 84.1248.080 1.00 27.35原子3747 CB PRO B 1549.714 82.8367.280 1.00 28.38原子3748 CG PRO B 1549.215 83.3155.949 1.00 28.03原子3749 C PRO B 154 10.962 83.9789.159 1.00 25.58原子3750 O PRO B 154 12.153 83.8098.863 1.00 25.12原子3751 N VAL B 155 10.527 84.082 10.418 1.00 24.34原子3752 CA VAL B 155 11.435 83.997 11.567 1.00 22.14原子3753 CB VAL B 155 10.689 84.144 12.923 1.00 23.51原子3754 CG1 VAL B 155 11.560 83.672 14.082 1.00 22.33原子3755 CG2 VAL B 155 10.293 85.598 13.127 1.00 20.79原子3756 C VAL B 155 12.346 82.768 11.539 1.00 19.24原子3757 O VAL B 155 13.489 82.840 12.005 1.00 21.30原子3758 N ILE B 156 11.872 81.644 10.981 1.00 19.80原子3759 CA ILE B 156 12.718 80.441 10.908 1.00 20.19原子3760 CB ILE B 156 11.980 79.211 10.311 1.00 23.70原子3761 CG2 ILE B 156 11.512 79.4808.882 1.00 20.74原子3762 CG1 ILE B 156 12.872 77.963 10.344 1.00 23.22
原子3763 CD1 ILE B 15613.199 77.470 11.740 1.00 27.05原子3764 C ILE B 15614.012 80.713 10.125 1.00 20.85原子3765 O ILE B 15615.064 80.187 10.460 1.00 23.05原子3766 N TYR B 15713.931 81.546 9.088 1.00 21.98原子3767 CA TYR B 15715.103 81.881 8.267 1.00 21.22原子3768 CB TYR B 15714.660 82.525 6.944 1.00 23.30原子3769 CG TYR B 15713.948 81.576 6.027 1.00 23.20原子3770 CD1 TYR B 15712.631 81.796 5.662 1.00 26.34原子3771 CE1 TYR B 15711.970 80.918 4.830 1.00 26.40原子3772 CD2 TYR B 15714.592 80.450 5.531 1.00 24.66原子3773 CE2 TYR B 15713.941 79.568 4.694 1.00 25.59原子3774 CZ TYR B 15712.634 79.806 4.350 1.00 27.07原子3775 OH TYR B 15711.976 78.922 3.532 1.00 32.84原子3776 C TYR B 15716.057 82.819 8.990 1.00 20.56原子3777 O TYR B 15717.281 82.735 8.817 1.00 19.78原子3778 N VAL B 15815.496 83.717 9.808 1.00 20.27原子3779 CA VAL B 15816.314 84.649 10.563 1.00 20.35原子3780 CB VAL B 15815.452 85.694 11.311 1.00 21.37原子3781 CG1 VAL B 15816.338 86.766 11.943 1.00 19.60原子3782 CG2 VAL B 15814.457 86.336 10.351 1.00 18.28原子3783 C VAL B 15817.180 83.862 11.537 1.00 18.97原子3784 O VAL B 15818.387 84.016 11.565 1.00 23.65原子3785 N LYS B 15916.551 82.979 12.299 1.00 20.72原子3786 CA LYS B 15917.272 82.126 13.254 1.00 19.58原子3787 CB LYS B 15916.303 81.133 13.901 1.00 17.16原子3788 CG LYS B 15915.249 81.785 14.788 1.00 20.51原子3789 CD LYS B 15914.393 80.735 15.487 1.00 19.90原子3790 CE LYS B 15913.268 81.368 16.279 1.00 21.69原子3791 NZ LYS B 15912.223 80.372 16.638 1.00 22.17原子3792 C LYS B 15918.405 81.368 12.570 1.00 18.48原子3793 O LYS B 15919.553 81.433 13.006 1.00 17.43原子3794 N LEU B 16018.065 80.643 11.482 1.00 19.66原子3795 CA LEU B 16019.048 79.860 10.719 1.00 18.83原子3796 CB LEU B 16018.379 79.163 9.522 1.00 19.66原子3797 CG LEU B 16017.774 77.795 9.788 1.00 19.93原子3798 CD1 LEU B 16016.700 77.486 8.765 1.00 21.83原子3799 CD2 LEU B 16018.854 76.724 9.801 1.00 21.52原子3800 C LEU B 16020.186 80.721 10.216 1.00 16.03原子3801 O LEU B 16021.345 80.349 10.341 1.00 16.78原子3802 N TYR B 16119.857 81.869 9.627 1.00 17.43原子3803 CA TYR B 16120.888 82.762 9.089 1.00 19.10原子3804 CB TYR B 16120.250 83.920 8.284 1.00 19.88原子3805 CG TYR B 16119.476 83.557 7.024 1.00 24.99原子3806 CD1 TYR B 16119.463 82.271 6.496 1.00 25.12原子3807 CE1 TYR B 16118.725 81.975 5.358 1.00 29.18原子3808 CD2 TYR B 16118.735 84.530 6.373 1.00 26.00原子3809 CE2 TYR B 16118.004 84.249 5.241 1.00 29.30原子3810 CZ TYR B 16117.998 82.976 4.737 1.00 30.29原子3811 OH TYR B 16117.254 82.700 3.612 1.00 33.10原子3812 C TYR B 16121.740 83.366 10.221 1.00 18.94原子3813 O TYR B 16122.974 83.354 10.182 1.00 17.38原子3814 N MET B 16221.061 83.926 11.221 1.00 18.27原子3815 CA MET B 16221.767 84.560 12.347 1.00 18.73原子3816 CB MET B 16220.770 85.237 13.288 1.00 16.64
原子3817 CG MET B 16220.235 86.526 12.724 1.00 16.75原子3818 SD MET B 16221.522 87.547 11.984 1.00 21.72原子3819 CE MET B 16222.654 87.807 13.364 1.00 22.96原子3820 C MET B 16222.656 83.584 13.078 1.00 13.97原子3821 O MET B 16223.784 83.906 13.407 1.00 18.33原子3822 N TYR B 16322.146 82.382 13.301 1.00 16.83原子3823 CA TYR B 16322.891 81.317 13.994 1.00 17.57原子3824 CB TYR B 16321.998 80.075 14.143 1.00 16.83原子3825 CG TYR B 16322.689 78.913 14.842 1.00 18.42原子3826 CD1 TYR B 16322.814 78.874 16.240 1.00 16.94原子3827 CE1 TYR B 16323.444 77.815 16.873 1.00 17.73原子3828 CD2 TYR B 16323.214 77.862 14.106 1.00 16.91原子3829 CE2 TYR B 16323.842 76.804 14.718 1.00 19.62原子3830 CZ TYR B 16323.957 76.780 16.109 1.00 22.45原子3831 OH TYR B 16324.585 75.723 16.715 1.00 19.94原子3832 C TYR B 16324.183 80.938 13.281 1.00 18.55原子3833 O TYR B 16325.267 80.837 13.907 1.00 18.64原子3834 N GLN B 16424.077 80.716 11.958 1.00 17.45原子3835 CA GLN B 16425.239 80.342 11.166 1.00 13.31原子3836 CB GLN B 16424.817 79.910 9.762 1.00 15.13原子3837 CG GLN B 16424.007 78.628 9.747 1.00 16.53原子3838 CD GLN B 16423.455 78.316 8.367 1.00 16.29原子3839 OE1 GLN B 16424.142 77.720 7.550 1.00 16.87原子3840 NE2 GLN B 16422.224 78.727 8.104 1.00 13.57原子3841 C GLN B 16426.239 81.472 11.131 1.00 9.92原子3842 O GLN B 16427.430 81.241 11.174 1.00 12.36原子3843 N LEU B 16525.733 82.703 11.107 1.00 11.26原子3844 CA LEU B 16526.581 83.890 11.129 1.00 13.08原子3845 CB LEU B 16525.702 85.138 10.991 1.00 12.81原子3846 CG LEU B 16526.346 86.410 10.423 1.00 15.34原子3847 CD1 LEU B 16525.759 87.659 11.062 1.00 12.66原子3848 CD2 LEU B 16527.854 86.395 10.525 1.00 18.57原子3849 C LEU B 16527.366 83.950 12.456 1.00 12.95原子3850 O LEU B 16528.573 84.144 12.467 1.00 16.32原子3851 N PHE B 16626.676 83.768 13.585 1.00 14.47原子3852 CA PHE B 16627.375 83.790 14.876 1.00 12.97原子3853 CB PHE B 16626.386 83.728 16.043 1.00 11.30原子3854 CG PHE B 16625.697 85.037 16.242 1.00 6.37原子3855 CD1 PHE B 16624.333 85.121 16.220 1.00 6.85原子3856 CD2 PHE B 16626.429 86.183 16.440 1.00 7.66原子3857 CE1 PHE B 16623.695 86.326 16.391 1.00 5.07原子3858 CE2 PHE B 16625.800 87.399 16.616 1.00 9.58原子3859 CZ PHE B 16624.428 87.466 16.589 1.00 7.06原子3860 C PHE B 16628.418 82.689 14.920 1.00 10.95原子3861 O PHE B 16629.570 82.930 15.309 1.00 16.03原子3862 N ARG B 16728.039 81.497 14.462 1.00 12.53原子3863 CA ARG B 16728.963 80.364 14.400 1.00 13.60原子3864 CB ARG B 16728.275 79.162 13.750 1.00 18.63原子3865 CG ARG B 16727.668 78.171 14.734 1.00 19.55原子3866 CD ARG B 16727.437 76.814 14.088 1.00 19.56原子3867 NE ARG B 16728.676 76.045 13.967 1.00 20.35原子3868 CZ ARG B 16728.785 74.891 13.299 1.00 16.47原子3869 NH1 ARG B 16727.737 74.355 12.692 1.00 20.44原子3870 NH2 ARG B 16729.944 74.274 13.240 1.00 18.83
原子3871 C ARG B 16730.232 80.715 13.613 1.00 17.56原子3872 O ARG B 16731.372 80.451 14.062 1.00 19.20原子3873 N SER B 16830.065 81.324 12.435 1.00 17.30原子3874 CA SER B 16831.246 81.695 11.657 1.00 17.33原子3875 CB SER B 16830.870 82.151 10.230 1.00 15.58原子3876 OG SER B 16830.353 83.476 10.201 1.00 13.88原子3877 C SER B 16832.033 82.777 12.402 1.00 15.51原子3878 O SER B 16833.263 82.845 12.329 1.00 16.25原子3879 N LEU B 16931.316 83.615 13.137 1.00 15.49原子3880 CA LEU B 16931.973 84.675 13.915 1.00 17.05原子3881 CB LEU B 16930.954 85.677 14.436 1.00 17.09原子3882 CG LEU B 16930.401 86.619 13.363 1.00 18.69原子3883 CD1 LEU B 16929.354 87.569 13.922 1.00 13.84原子3884 CD2 LEU B 16931.533 87.377 12.666 1.00 14.52原子3885 C LEU B 16932.822 84.082 15.031 1.00 15.99原子3886 O LEU B 16933.980 84.464 15.214 1.00 16.48原子3887 N ALA B 17032.250 83.107 15.745 1.00 18.87原子3888 CA ALA B 17032.943 82.407 16.845 1.00 21.00原子3889 CB ALA B 17032.012 81.352 17.449 1.00 19.79原子3890 C ALA B 17034.220 81.741 16.352 1.00 21.82原子3891 O ALA B 17035.266 81.760 17.026 1.00 22.36原子3892 N TYR B 17134.127 81.144 15.165 1.00 23.15原子3893 CA TYR B 17135.256 80.458 14.558 1.00 19.25原子3894 CB TYR B 17134.826 79.705 13.297 1.00 20.50原子3895 CG TYR B 17135.971 78.969 12.643 1.00 18.22原子3896 CD1 TYR B 17136.368 77.727 13.110 1.00 15.97原子3897 CE1 TYR B 17137.410 77.051 12.521 1.00 18.29原子3898 CD2 TYR B 17136.656 79.523 11.560 1.00 16.49原子3899 CE2 TYR B 17137.705 78.849 10.964 1.00 15.82原子3900 CZ TYR B 17138.073 77.619 11.446 1.00 18.15原子3901 OH TYR B 17139.103 76.939 10.859 1.00 21.31原子3902 C TYR B 17136.394 81.393 14.236 1.00 17.82原子3903 O TYR B 17137.544 81.086 14.528 1.00 22.52原子3904 N ILE B 17236.093 82.520 13.616 1.00 18.32原子3905 CA ILE B 17237.147 83.471 13.249 1.00 18.09原子3906 CB ILE B 17236.701 84.470 12.158 1.00 16.91原子3907 CG2 ILE B 17236.617 83.787 10.793 1.00 18.79原子3908 CG1 ILE B 17235.361 85.101 12.516 1.00 16.59原子3909 CD1 ILE B 17235.267 86.556 12.121 1.00 17.41原子3910 C ILE B 17237.676 84.232 14.471 1.00 17.72原子3911 O ILE B 17238.894 84.411 14.624 1.00 16.48原子3912 N HIS B 17336.759 84.664 15.346 1.00 18.14原子3913 CA HIS B 17337.161 85.380 16.566 1.00 18.28原子3914 CB HIS B 17335.939 85.810 17.381 1.00 14.98原子3915 CG HIS B 17335.179 86.918 16.731 1.00 12.61原子3916 CD2 HIS B 17335.510 87.730 15.691 1.00 15.00原子3917 ND1 HIS B 17333.924 87.306 17.118 1.00 15.31原子3918 CE1 HIS B 17333.508 88.305 16.349 1.00 13.51原子3919 NE2 HIS B 17334.457 88.579 15.479 1.00 11.84原子3920 C HIS B 17338.123 84.507 17.380 1.00 18.31原子3921 O HIS B 17339.122 84.995 17.886 1.00 23.85原子3922 N SER B 17437.845 83.200 17.436 1.00 21.25原子3923 CA SER B 17438.706 82.222 18.136 1.00 21.23原子3924 CB SER B 17438.120 80.800 18.017 1.00 23.92
原子3925 OG SER B 17438.766 80.026 17.009 1.00 29.48原子3926 C SER B 17440.176 82.273 17.675 1.00 22.44原子3927 O SER B 17441.083 81.828 18.388 1.00 20.91原子3928 N PHE B 17540.410 82.829 16.482 1.00 22.81原子3929 CA PHE B 17541.758 82.953 15.930 1.00 20.67原子3930 CB PHE B 17541.740 82.656 14.418 1.00 23.12原子3931 CG PHE B 17541.717 81.196 14.049 1.00 21.93原子3932 CD1 PHE B 17542.868 80.436 14.112 1.00 21.49原子3933 CD2 PHE B 17540.541 80.593 13.633 1.00 22.75原子3934 CE1 PHE B 17542.847 79.097 13.770 1.00 24.14原子3935 CE2 PHE B 17540.512 79.257 13.293 1.00 21.54原子3936 CZ PHE B 17541.666 78.507 13.362 1.00 20.39原子3937 C PHE B 17542.299 84.367 16.144 1.00 20.00原子3938 O PHE B 17543.457 84.645 15.849 1.00 21.75原子3939 N GLY B 17641.442 85.265 16.624 1.00 18.95原子3940 CA GLY B 17641.837 86.654 16.833 1.00 20.05原子3941 C GLY B 17641.498 87.512 15.617 1.00 19.66原子3942 O GLY B 17641.796 88.705 15.568 1.00 17.74原子3943 N ILE B 17740.885 86.877 14.626 1.00 19.43原子3944 CA ILE B 17740.521 87.540 13.388 1.00 17.66原子3945 CB ILE B 17740.471 86.528 12.218 1.00 18.89原子3946 CG2 ILE B 17739.866 87.169 10.970 1.00 22.27原子3947 CG1 ILE B 17741.864 85.976 11.924 1.00 18.79原子3948 CD1 ILE B 17741.850 84.580 11.333 1.00 18.07原子3949 C ILE B 17739.186 88.252 13.460 1.00 13.18原子3950 O ILE B 17738.154 87.652 13.694 1.00 14.34原子3951 N CYS B 17839.212 89.529 13.163 1.00 14.13原子3952 CA CYS B 17838.003 90.313 13.097 1.00 15.75原子3953 CB CYS B 17838.207 91.633 13.822 1.00 12.82原子3954 SG CYS B 17836.704 92.568 14.016 1.00 20.44原子3955 C CYS B 17837.693 90.561 11.592 1.00 16.81原子3956 O CYS B 17838.616 90.797 10.812 1.00 18.44原子3957 N HIS B 17936.420 90.470 11.211 1.00 17.46原子3958 CA HIS B 17935.973 90.648 9.823 1.00 18.34原子3959 CB HIS B 17934.557 90.106 9.660 1.00 16.84原子3960 CG HIS B 17934.198 89.789 8.231 1.00 18.96原子3961 CD2 HIS B 17934.490 88.717 7.451 1.00 18.32原子3962 ND1 HIS B 17933.444 90.624 7.445 1.00 19.17原子3963 CE1 HIS B 17933.280 90.087 6.253 1.00 16.74原子3964 NE2 HIS B 17933.904 88.933 6.230 1.00 15.67原子3965 C HIS B 17936.030 92.120 9.419 1.00 20.37原子3966 O HIS B 17936.783 92.495 8.506 1.00 19.08原子3967 N ARG B 18035.258 92.938 10.153 1.00 19.56原子3968 CA ARG B 18035.198 94.388 9.981 1.00 19.52原子3969 CB ARG B 18036.596 94.975 9.873 1.00 21.91原子3970 CG ARG B 18037.585 94.396 10.859 1.00 18.09原子3971 CD ARG B 18038.672 95.403 11.177 1.00 21.06原子3972 NE ARG B 18039.531 95.661 10.019 1.00 22.36原子3973 CZ ARG B 18040.540 96.527 10.013 1.00 19.95原子3974 NH1 ARG B 18040.716 97.382 11.028 1.00 22.70原子3975 NH2 ARG B 18041.369 96.553 8.981 1.00 18.96原子3976 C ARG B 18034.323 94.837 8.799 1.00 20.34原子3977 O ARG B 18034.320 96.016 8.432 1.00 20.98原子3978 N ASP B 18133.546 93.923 8.246 1.00 21.43
原子3979 CA ASP B 18132.651 94.2577.150 1.00 23.13原子3980 CB ASP B 18133.397 94.2055.814 1.00 22.99原子3981 CG ASP B 18132.706 94.9874.716 1.00 24.00原子3982 OD1 ASP B 18131.738 95.7105.017 1.00 22.68原子3983 OD2 ASP B 18133.143 94.8733.546 1.00 26.09原子3984 C ASP B 18131.431 93.3467.126 1.00 24.10原子3985 O ASP B 18131.030 92.8376.071 1.00 27.13原子3986 N ILE B 18230.831 93.1518.291 1.00 22.83原子3987 CA ILE B 18229.655 92.3178.422 1.00 20.44原子3988 CB ILE B 18229.466 91.8339.872 1.00 21.37原子3989 CG2 ILE B 18228.127 91.131 10.053 1.00 21.22原子3990 CG1 ILE B 18230.621 90.919 10.273 1.00 19.44原子3991 CD1 ILE B 18230.463 89.4889.800 1.00 19.22原子3992 C ILE B 18228.421 93.0687.972 1.00 20.80原子3993 O ILE B 18228.086 94.1088.523 1.00 20.95原子3994 N LYS B 18327.767 92.5246.941 1.00 19.52原子3995 CA LYS B 18326.573 93.1216.356 1.00 16.61原子3996 CB LYS B 18326.971 94.3195.515 1.00 15.49原子3997 CG LYS B 18328.126 94.0324.573 1.00 15.33原子3998 CD LYS B 18328.436 95.2483.726 1.00 17.88原子3999 CE LYS B 18329.187 94.8842.460 1.00 17.85原子4000 NZ LYS B 18329.949 96.0421.927 1.00 19.34原子4001 C LYS B 18325.826 92.0795.515 1.00 14.55原子4002 O LYS B 18326.390 91.0515.147 1.00 13.32原子4003 N PRO B 18424.546 92.3065.234 1.00 13.82原子4004 CD PRO B 18423.783 93.4875.647 1.00 13.63原子4005 CA PRO B 18423.719 91.3514.478 1.00 16.50原子4006 CB PRO B 18422.386 92.0794.305 1.00 14.92原子4007 CG PRO B 18422.357 93.0625.429 1.00 15.66原子4008 C PRO B 18424.310 90.9223.112 1.00 17.86原子4009 O PRO B 18424.079 89.8042.674 1.00 21.42原子4010 N GLN B 18525.066 91.7912.449 1.00 18.44原子4011 CA GLN B 18525.639 91.4161.158 1.00 21.79原子4012 CB GLN B 18526.030 92.6380.309 1.00 24.61原子4013 CG GLN B 18526.490 93.8561.102 1.00 32.20原子4014 CD GLN B 18525.342 94.7441.579 1.00 32.15原子4015 OE1 GLN B 18524.883 95.6370.862 1.00 33.73原子4016 NE2 GLN B 18524.881 94.5052.795 1.00 28.11原子4017 C GLN B 18526.802 90.4371.306 1.00 21.53原子4018 O GLN B 18527.117 89.6830.379 1.00 16.27原子4019 N ASN B 18627.452 90.4502.483 1.00 19.98原子4020 CA ASN B 18628.580 89.5702.713 1.00 16.29原子4021 CB ASN B 18629.722 90.2693.460 1.00 19.11原子4022 CG ASN B 18630.457 91.2542.549 1.00 22.13原子4023 OD1 ASN B 18630.227 91.2771.334 1.00 21.39原子4024 ND2 ASN B 18631.353 92.0643.117 1.00 19.64原子4025 C ASN B 18628.178 88.2303.283 1.00 11.95原子4026 O ASN B 18629.030 87.4173.624 1.00 15.32原子4027 N LEU B 18726.875 87.9983.326 1.00 13.26原子4028 CA LEU B 18726.277 86.7383.794 1.00 17.80原子4029 CB LEU B 18725.173 87.0014.838 1.00 16.02原子4030 CG LEU B 18725.565 87.8356.061 1.00 18.73原子4031 CD1 LEU B 18724.335 88.1616.902 1.00 14.44原子4032 CD2 LEU B 18726.621 87.1036.875 1.00 15.90
原子4033 C LEU B 18725.650 85.9772.609 1.00 20.22原子4034 O LEU B 18724.612 86.3832.070 1.00 22.29原子4035 N LEU B 18826.281 84.8822.220 1.00 23.27原子4036 CA LEU B 18825.803 84.0631.112 1.00 25.98原子4037 CB LEU B 18826.983 83.4560.343 1.00 24.19原子4038 CG LEU B 18828.091 84.426 -0.041 1.00 22.57原子4039 CD1 LEU B 18829.300 83.683 -0.584 1.00 23.24原子4040 CD2 LEU B 18827.582 85.467 -1.024 1.00 23.33原子4041 C LEU B 18824.909 82.9491.596 1.00 28.54原子4042 O LEU B 18825.114 82.4112.687 1.00 31.17原子4043 N LEU B 18923.934 82.5900.768 1.00 29.77原子4044 CA LEU B 18923.025 81.5171.098 1.00 30.54原子4045 CB LEU B 18921.679 82.0461.587 1.00 30.11原子4046 CG LEU B 18921.668 83.3542.349 1.00 27.86原子4047 CD1 LEU B 18920.296 84.0002.226 1.00 28.53原子4048 CD2 LEU B 18922.030 83.1053.810 1.00 29.39原子4049 C LEU B 18922.749 80.615 -0.095 1.00 33.95原子4050 O LEU B 18922.855 81.023 -1.261 1.00 32.29原子4051 N ASP B 19022.306 79.4120.237 1.00 36.30原子4052 CA ASP B 19021.893 78.423 -0.726 1.00 38.55原子4053 CB ASP B 19022.470 77.046 -0.364 1.00 39.02原子4054 CG ASP B 19022.338 76.020 -1.487 1.00 40.50原子4055 OD1 ASP B 19023.107 75.033 -1.486 1.00 39.94原子4056 OD2 ASP B 19021.459 76.197 -2.360 1.00 41.85原子4057 C ASP B 19020.362 78.387 -0.691 1.00 40.13原子4058 O ASP B 19019.772 78.0160.334 1.00 38.56原子4059 N PRO B 19119.697 78.791 -1.804 1.00 41.84原子4060 CD PRO B 19120.326 79.259 -3.057 1.00 43.11原子4061 CA PRO B 19118.229 78.814 -1.894 1.00 43.03原子4062 CB PRO B 19117.996 78.792 -3.405 1.00 43.46原子4063 CG PRO B 19119.154 79.557 -3.957 1.00 43.83原子4064 C PRO B 19117.635 77.579 -1.236 1.00 42.98原子4065 O PRO B 19116.719 77.665 -0.426 1.00 44.87原子4066 N ASP B 19218.217 76.442 -1.558 1.00 43.24原子4067 CA ASP B 19217.829 75.169 -0.982 1.00 42.75原子4068 CB ASP B 19217.737 74.090 -2.079 1.00 43.62原子4069 CG ASP B 19217.232 74.624 -3.418 1.00 44.29原子4070 OD1 ASP B 19216.060 75.053 -3.487 1.00 43.96原子4071 OD2 ASP B 19218.011 74.613 -4.397 1.00 46.05原子4072 C ASP B 19218.909 74.8080.035 1.00 42.02原子4073 O ASP B 19220.044 75.256 -0.100 1.00 42.79原子4074 N THR B 19318.570 74.0351.056 1.00 39.71原子4075 CA THR B 19319.551 73.6682.091 1.00 38.55原子4076 CB THR B 19320.934 73.2691.519 1.00 38.09原子4077 OG1 THR B 19321.839 74.3631.479 1.00 37.67原子4078 CG2 THR B 19320.899 72.6230.148 1.00 39.30原子4079 C THR B 19319.679 74.7553.174 1.00 36.88原子4080 O THR B 19320.018 74.4524.312 1.00 37.44原子4081 N ALA B 19419.381 76.0082.811 1.00 34.97原子4082 CA ALA B 19419.426 77.1493.739 1.00 33.98原子4083 CB ALA B 19418.427 76.9704.874 1.00 34.13原子4084 C ALA B 19420.814 77.4194.307 1.00 33.03原子4085 O ALA B 19420.951 78.1835.266 1.00 33.38原子4086 N VAL B 19521.839 76.8113.718 1.00 29.95
原子4087 CA VAL B 19523.201 77.0164.182 1.00 25.72原子4088 CB VAL B 19524.183 76.0673.461 1.00 25.44原子4089 CG1 VAL B 19525.621 76.5643.537 1.00 24.29原子4090 CG2 VAL B 19524.068 74.6574.022 1.00 21.03原子4091 C VAL B 19523.620 78.4763.999 1.00 25.93原子4092 O VAL B 19523.219 79.1253.023 1.00 26.83原子4093 N LEU B 19624.420 78.9854.950 1.00 22.33原子4094 CA LEU B 19624.908 80.3624.917 1.00 18.44原子4095 CB LEU B 19624.288 81.2146.042 1.00 21.00原子4096 CG LEU B 19624.668 82.7136.079 1.00 19.92原子4097 CD1 LEU B 19623.587 83.5336.760 1.00 19.76原子4098 CD2 LEU B 19626.010 82.9316.765 1.00 21.62原子4099 C LEU B 19626.412 80.3765.025 1.00 18.31原子4100 O LEU B 19627.000 79.6025.776 1.00 18.56原子4101 N LYS B 19727.048 81.2584.278 1.00 17.76原子4102 CA LYS B 19728.486 81.3614.322 1.00 16.84原子4103 CB LYS B 19729.134 80.5563.207 1.00 20.50原子4104 CG LYS B 19728.966 79.0503.363 1.00 19.83原子4105 CD LYS B 19729.577 78.3162.188 1.00 21.22原子4106 CE LYS B 19729.875 76.8722.525 1.00 23.66原子4107 NZ LYS B 19729.618 75.9831.362 1.00 25.07原子4108 C LYS B 19728.918 82.8044.260 1.00 18.70原子4109 O LYS B 19728.379 83.6013.473 1.00 20.29原子4110 N LEU B 19829.884 83.1245.126 1.00 19.30原子4111 CA LEU B 19830.468 84.4405.282 1.00 18.67原子4112 CB LEU B 19831.199 84.4876.643 1.00 19.83原子4113 CG LEU B 19831.049 85.7527.499 1.00 19.27原子4114 CD1 LEU B 19832.200 85.8568.496 1.00 15.42原子4115 CD2 LEU B 19830.983 86.9936.634 1.00 12.11原子4116 C LEU B 19831.497 84.6414.186 1.00 18.53原子4117 O LEU B 19832.247 83.7213.866 1.00 16.63原子4118 N CYS B 19931.545 85.8373.611 1.00 18.83原子4119 CA CYS B 19932.509 86.0772.551 1.00 19.58原子4120 CB CYS B 19931.850 85.8811.176 1.00 14.83原子4121 SG CYS B 19930.667 87.1710.756 1.00 21.79原子4122 C CYS B 19933.114 87.4612.646 1.00 19.09原子4123 O CYS B 19932.754 88.2503.519 1.00 18.83原子4124 N ASP B 20034.040 87.7291.713 1.00 18.38原子4125 CA ASP B 20034.745 88.9811.604 1.00 15.12原子4126 CB ASP B 20033.819 90.1291.230 1.00 10.15原子4127 CG ASP B 20034.584 91.4000.934 1.00 9.23原子4128 OD1 ASP B 20033.950 92.4540.818 1.00 18.68原子4129 OD2 ASP B 20035.824 91.3450.819 1.00 17.92原子4130 C ASP B 20035.548 89.2902.856 1.00 18.42原子4131 O ASP B 20035.082 89.9923.757 1.00 18.47原子4132 N PHE B 20136.758 88.7562.879 1.00 19.43原子4133 CA PHE B 20137.690 88.9323.970 1.00 20.67原子4134 CB PHE B 20138.359 87.5884.287 1.00 19.84原子4135 CG PHE B 20137.461 86.6675.077 1.00 20.16原子4136 CD1 PHE B 20136.402 86.0094.467 1.00 20.40原子4137 CD2 PHE B 20137.665 86.4756.446 1.00 20.19原子4138 CE1 PHE B 20135.560 85.1845.201 1.00 21.68原子4139 CE2 PHE B 20136.834 85.6497.185 1.00 18.96原子4140 CZ PHE B 20135.780 85.0056.568 1.00 22.32
原子4141 C PHE B 20138.720 90.0143.634 1.00 21.02原子4142 O PHE B 20139.811 90.0344.177 1.00 22.62原子4143 N GLY B 20238.337 90.9242.730 1.00 23.59原子4144 CA GLY B 20239.206 92.0152.313 1.00 24.29原子4145 C GLY B 20239.410 93.0933.372 1.00 23.17原子4146 O GLY B 20240.401 93.8193.342 1.00 23.40原子4147 N SER B 20338.491 93.1974.315 1.00 25.53原子4148 CA SER B 20338.617 94.1895.390 1.00 24.92原子4149 CB SER B 20337.283 94.8975.589 1.00 25.38原子4150 OG SER B 20337.015 95.8044.543 1.00 27.73原子4151 C SER B 20339.006 93.5166.708 1.00 25.45原子4152 O SER B 20339.035 94.1687.750 1.00 28.67原子4153 N ALA B 20439.242 92.2026.663 1.00 24.63原子4154 CA ALA B 20439.564 91.3967.847 1.00 24.22原子4155 CB ALA B 20439.383 89.9127.551 1.00 21.47原子4156 C ALA B 20440.957 91.6728.416 1.00 24.85原子4157 O ALA B 20441.871 92.0767.695 1.00 20.84原子4158 N LYS B 20541.116 91.4619.737 1.00 24.29原子4159 CA LYS B 20542.407 91.716 10.369 1.00 24.23原子4160 CB LYS B 20542.583 93.216 10.584 1.00 22.03原子4161 CG LYS B 20544.029 93.655 10.548 1.00 24.61原子4162 CD LYS B 20544.229 94.953 11.308 1.00 23.18原子4163 CE LYS B 20545.596 95.010 11.957 1.00 24.28原子4164 NZ LYS B 20546.307 96.273 11.632 1.00 29.00原子4165 C LYS B 20542.601 90.994 11.704 1.00 25.96原子4166 O LYS B 20541.662 90.788 12.477 1.00 25.46原子4167 N GLN B 20643.860 90.671 11.972 1.00 28.37原子4168 CA GLN B 20644.269 90.032 13.208 1.00 29.42原子4169 CB GLN B 20645.544 89.230 12.967 1.00 32.05原子4170 CG GLN B 20645.375 88.117 11.937 1.00 38.78原子4171 CD GLN B 20645.021 86.772 12.554 1.00 41.77原子4172 OE1 GLN B 20644.861 85.776 11.840 1.00 43.68原子4173 NE2 GLN B 20644.904 86.731 13.885 1.00 42.59原子4174 C GLN B 20644.514 91.112 14.259 1.00 27.78原子4175 O GLN B 20645.570 91.719 14.299 1.00 27.97原子4176 N LEU B 20743.508 91.368 15.077 1.00 28.77原子4177 CA LEU B 20743.591 92.401 16.101 1.00 28.47原子4178 CB LEU B 20742.215 92.671 16.709 1.00 27.69原子4179 CG LEU B 20741.111 93.057 15.727 1.00 29.12原子4180 CD1 LEU B 20739.953 93.708 16.463 1.00 27.92原子4181 CD2 LEU B 20741.649 93.985 14.645 1.00 28.33原子4182 C LEU B 20744.591 92.060 17.192 1.00 28.80原子4183 O LEU B 20744.622 90.934 17.698 1.00 29.81原子4184 N VAL B 20845.395 93.054 17.558 1.00 30.07原子4185 CA VAL B 20846.393 92.904 18.614 1.00 30.14原子4186 CB VAL B 20847.810 92.530 18.110 1.00 30.08原子4187 CG1 VAL B 20847.763 91.621 16.885 1.00 31.56原子4188 CG2 VAL B 20848.659 93.757 17.849 1.00 32.50原子4189 C VAL B 20846.417 94.153 19.497 1.00 29.58原子4190 O VAL B 20846.334 95.275 18.992 1.00 27.39原子4191 N ARG B 20946.487 93.924 20.823 1.00 30.91原子4192 CA ARG B 20946.479 94.991 21.849 1.00 31.31原子4193 CB ARG B 20946.964 94.423 23.206 1.00 31.12原子4194 CG ARG B 20947.860 95.375 24.011 1.00 29.38
原子4195 CD ARG B 20947.882 95.037 25.502 1.00 26.82原子4196 NE ARG B 20947.812 96.245 26.319 1.00 21.48原子4197 CZ ARG B 20946.672 96.767 26.796 1.00 23.43原子4198 NH1 ARG B 20945.510 96.124 26.651 1.00 20.48原子4199 NH2 ARG B 20946.698 97.934 27.434 1.00 25.12原子4200 C ARG B 20947.319 96.213 21.485 1.00 31.54原子4201 O ARG B 20946.815 97.335 21.453 1.00 34.08原子4202 N GLY B 21048.606 96.004 21.280 1.00 32.47原子4203 CA GLY B 21049.494 97.118 20.995 1.00 34.33原子4204 C GLY B 21049.109 98.001 19.812 1.00 35.22原子4205 O GLY B 21048.892 99.209 19.974 1.00 35.81原子4206 N GLU B 21149.097 97.410 18.615 1.00 35.57原子4207 CA GLU B 21148.825 98.140 17.371 1.00 32.82原子4208 CB GLU B 21149.240 97.316 16.150 1.00 35.30原子4209 CG GLU B 21148.588 95.946 16.085 1.00 37.01原子4210 CD GLU B 21149.189 95.054 15.011 1.00 38.55原子4211 OE1 GLU B 21150.326 94.560 15.212 1.00 38.76原子4212 OE2 GLU B 21148.517 94.842 13.977 1.00 36.23原子4213 C GLU B 21147.402 98.656 17.212 1.00 29.12原子4214 O GLU B 21146.431 97.909 17.298 1.00 30.00原子4215 N PRO B 21247.273 99.957 16.933 1.00 26.97原子4216 CD PRO B 21248.391 100.908 16.785 1.00 26.49原子4217 CA PRO B 21245.980 100.590 16.707 1.00 26.42原子4218 CB PRO B 21246.305 102.081 16.805 1.00 26.02原子4219 CG PRO B 21247.723 102.187 16.374 1.00 25.87原子4220 C PRO B 21245.430 100.254 15.306 1.00 25.79原子4221 O PRO B 21246.169 99.812 14.422 1.00 25.35原子4222 N ASN B 21344.131 100.459 15.130 1.00 24.87原子4223 CA ASN B 21343.445 100.187 13.875 1.00 25.11原子4224 CB ASN B 21342.583 98.934 13.998 1.00 25.01原子4225 CG ASN B 21343.400 97.703 14.319 1.00 27.74原子4226 OD1 ASN B 21344.306 97.333 13.570 1.00 29.67原子4227 ND2 ASN B 21343.092 97.063 15.443 1.00 27.23原子4228 C ASN B 21342.579 101.370 13.491 1.00 24.44原子4229 O ASN B 21342.169 102.145 14.355 1.00 22.83原子4230 N VAL B 21442.304 101.515 12.188 1.00 24.44原子4231 CA VAL B 21441.482 102.630 11.711 1.00 21.41原子4232 CB VAL B 21441.536 102.812 10.165 1.00 24.20原子4233 CG1 VAL B 21442.975 102.952 9.698 1.00 21.35原子4234 CG2 VAL B 21440.841 101.659 9.444 1.00 20.54原子4235 C VAL B 21440.041 102.501 12.192 1.00 19.64原子4236 O VAL B 21439.511 101.399 12.323 1.00 20.17原子4237 N SER B 21539.421 103.636 12.474 1.00 20.26原子4238 CA SER B 21538.046 103.670 12.967 1.00 20.21原子4239 CB SER B 21537.862 104.860 13.907 1.00 21.10原子4240 OG SER B 21538.487 106.017 13.378 1.00 23.88原子4241 C SER B 21536.995 103.698 11.841 1.00 20.47原子4242 O SER B 21535.899 103.162 11.999 1.00 19.45原子4243 N PTR B 21637.323 104.316 10.707 1.00 22.87原子4244 CA PTR B 21636.378 104.370 9.582 1.00 23.82原子4245 CB PTR B 21636.683 105.571 8.654 1.00 24.62原子4246 CG PTR B 21635.507 106.017 7.799 1.00 24.52原子4247 CD1 PTR B 21634.798 107.173 8.107 1.00 25.84原子4248 CE1 PTR B 21633.722 107.591 7.327 1.00 27.22
原子4249 CD2 PTR B 21635.104 105.2836.675 1.00 25.91原子4250 CE2 PTR B 21634.025 105.6915.890 1.00 27.15原子4251 CZ PTR B 21633.334 106.8476.219 1.00 26.61原子4252 OH PTR B 21632.261 107.2795.450 1.00 26.46原子4253 C PTR B 21636.445 103.0538.811 1.00 23.08原子4254 O PTR B 21637.208 102.9167.869 1.00 24.94原子4255 P PTR B 21631.041 106.3445.227 1.00 27.03原子4256 O1P PTR B 21630.362 106.8773.942 1.00 30.42原子4257 O2P PTR B 21630.099 106.6336.418 1.00 28.23原子4258 O3P PTR B 21631.426 104.9175.114 1.00 24.51原子4259 N ILE B 21735.749 102.0539.346 1.00 24.80原子4260 CA ILE B 21735.641 100.7838.656 1.00 23.98原子4261 CB ILE B 21736.542 99.6939.287 1.00 26.25原子4262 CG2 ILE B 21737.778 99.4508.438 1.00 25.26原子4263 CG1 ILE B 21736.953 100.051 10.708 1.00 26.90原子4264 CD1 ILE B 21737.119 98.845 11.613 1.00 27.85原子4265 C ILE B 21734.195 100.3828.691 1.00 24.40原子4266 O ILE B 21733.361 101.0809.276 1.00 26.29原子4267 N CYS B 21833.911 99.2638.073 1.00 24.77原子4268 CA CYS B 21832.541 98.7488.030 1.00 23.40原子4269 CB CYS B 21831.965 98.7409.450 1.00 23.30原子4270 SG CYS B 21832.745 97.535 10.578 1.00 26.72原子4271 C CYS B 21831.653 99.5267.070 1.00 23.74原子4272 O CYS B 21832.051 100.5356.510 1.00 27.68原子4273 N SER B 21930.463 99.0276.853 1.00 22.47原子4274 CA SER B 21929.481 99.7456.088 1.00 22.56原子4275 CB SER B 21928.517 98.8365.344 1.00 16.39原子4276 OG SER B 21927.433 99.5824.804 1.00 24.70原子4277 C SER B 21928.732 100.5977.092 1.00 23.73原子4278 O SER B 21928.194 100.0918.082 1.00 26.17原子4279 N ARG B 22028.678 101.8906.835 1.00 22.97原子4280 CA ARG B 22028.046 102.8417.732 1.00 23.82原子4281 CB ARG B 22027.485 104.0196.956 1.00 22.63原子4282 CG ARG B 22026.816 105.0327.862 1.00 23.19原子4283 CD ARG B 22026.068 106.0697.070 1.00 21.58原子4284 NE ARG B 22026.939 106.7506.124 1.00 22.96原子4285 CZ ARG B 22026.515 107.2894.984 1.00 23.07原子4286 NH1 ARG B 22025.240 107.2214.634 1.00 20.87原子4287 NH2 ARG B 22027.377 107.8974.195 1.00 24.87原子4288 C ARG B 22026.952 102.2408.617 1.00 24.57原子4289 O ARG B 22027.083 102.1869.840 1.00 29.08原子4290 N TYR B 22125.869 101.7787.997 1.00 22.44原子4291 CA TYR B 22124.708 101.2258.682 1.00 21.21原子4292 CB TYR B 22123.732 100.6197.671 1.00 22.74原子4293 CG TYR B 22123.028 101.5926.747 1.00 25.19原子4294 CD1 TYR B 22122.137 101.1225.786 1.00 26.74原子4295 CE1 TYR B 22121.484 101.9814.921 1.00 29.14原子4296 CD2 TYR B 22123.248 102.9596.818 1.00 26.22原子4297 CE2 TYR B 22122.599 103.8305.960 1.00 28.68原子4298 CZ TYR B 22121.717 103.3345.011 1.00 29.87原子4299 OH TYR B 22121.076 104.1934.154 1.00 28.44原子4300 C TYR B 22125.025 100.1699.761 1.00 20.80原子4301 O TYR B 22124.239 100.001 10.695 1.00 21.60原子4302 N TYR B 22226.116 99.4339.585 1.00 16.82
原子4303 CA TYR B 22226.512 98.341 10.477 1.00 17.54原子4304 CB TYR B 22226.734 97.0739.611 1.00 17.40原子4305 CG TYR B 22225.634 96.9168.575 1.00 19.92原子4306 CD1 TYR B 22224.517 96.1318.836 1.00 19.27原子4307 CE1 TYR B 22223.469 96.0627.943 1.00 21.70原子4308 CD2 TYR B 22225.672 97.6287.374 1.00 21.19原子4309 CE2 TYR B 22224.628 97.5496.463 1.00 20.78原子4310 CZ TYR B 22223.528 96.7706.759 1.00 21.97原子4311 OH TYR B 22222.466 96.7255.892 1.00 21.65原子4312 C TYR B 22227.764 98.666 11.292 1.00 15.94原子4313 O TYR B 22228.409 97.769 11.841 1.00 18.58原子4314 N ARG B 22328.105 99.936 11.356 1.00 15.02原子4315 CA ARG B 22329.285 100.393 12.079 1.00 17.28原子4316 CB ARG B 22329.764 101.686 11.436 1.00 14.67原子4317 CG ARG B 22331.143 102.114 11.865 1.00 14.12原子4318 CD ARG B 22331.535 103.403 11.175 1.00 18.42原子4319 NE ARG B 22332.044 103.1229.835 1.00 20.42原子4320 CZ ARG B 22331.654 103.7468.720 1.00 20.83原子4321 NH1 ARG B 22330.909 104.8358.767 1.00 17.04原子4322 NH2 ARG B 22332.062 103.2827.546 1.00 21.59原子4323 C ARG B 22328.990 100.634 13.585 1.00 16.29原子4324 O ARG B 22328.024 101.318 13.934 1.00 16.79原子4325 N ALA B 22429.837 100.063 14.438 1.00 17.91原子4326 CA ALA B 22429.722 100.177 15.913 1.00 19.04原子4327 CB ALA B 22430.712 99.232 16.570 1.00 16.46原子4328 C ALA B 22429.966 101.607 16.397 1.00 18.94原子4329 O ALA B 22430.870 102.279 15.916 1.00 21.70原子4330 N PRO B 22529.183 102.079 17.383 1.00 21.63原子4331 CD PRO B 22528.120 101.321 18.062 1.00 23.65原子4332 CA PRO B 22529.315 103.440 17.954 1.00 22.23原子4333 CB PRO B 22528.444 103.404 19.221 1.00 23.95原子4334 CG PRO B 22528.089 101.965 19.424 1.00 22.74原子4335 C PRO B 22530.743 103.811 18.315 1.00 20.39原子4336 O PRO B 22531.152 104.962 18.150 1.00 22.02原子4337 N GLU B 22631.501 102.832 18.797 1.00 19.06原子4338 CA GLU B 22632.898 103.041 19.179 1.00 19.14原子4339 CB GLU B 22633.450 101.789 19.851 1.00 18.75原子4340 CG GLU B 22632.562 100.561 19.645 1.00 20.23原子4341 CD GLU B 22633.352 99.289 19.603 1.00 17.38原子4342 OE1 GLU B 22632.736 98.213 19.618 1.00 19.90原子4343 OE2 GLU B 22634.598 99.368 19.552 1.00 24.74原子4344 C GLU B 22633.746 103.423 17.963 1.00 20.82原子4345 O GLU B 22634.666 104.248 18.066 1.00 20.13原子4346 N LEU B 22733.408 102.851 16.800 1.00 19.41原子4347 CA LEU B 22734.110 103.184 15.556 1.00 19.05原子4348 CB LEU B 22733.629 102.290 14.407 1.00 16.10原子4349 CG LEU B 22734.416 101.013 14.147 1.00 15.05原子4350 CD1 LEU B 22735.803 101.042 14.756 1.00 12.73原子4351 CD2 LEU B 22733.641 99.800 14.580 1.00 14.58原子4352 C LEU B 22733.779 104.624 15.220 1.00 14.97原子4353 O LEU B 22734.655 105.405 14.906 1.00 20.12原子4354 N ILE B 22832.496 104.961 15.340 1.00 17.59原子4355 CA ILE B 22831.993 106.311 15.103 1.00 18.11原子4356 CB ILE B 22830.471 106.365 15.223 1.00 18.51
原子4357 CG2 ILE B 22829.947 107.738 14.812 1.00 21.29原子4358 CG1 ILE B 22829.862 105.261 14.349 1.00 18.14原子4359 CD1 ILE B 22828.353 105.347 14.185 1.00 16.84原子4360 C ILE B 22832.678 107.310 16.049 1.00 23.42原子4361 O ILE B 22832.848 108.489 15.716 1.00 24.97原子4362 N PHE B 22933.167 106.795 17.182 1.00 23.68原子4363 CA PHE B 22933.958 107.584 18.111 1.00 25.34原子4364 CB PHE B 22933.707 107.151 19.578 1.00 22.49原子4365 CG PHE B 22932.480 107.775 20.225 1.00 19.47原子4366 CD1 PHE B 22931.276 107.093 20.272 1.00 17.35原子4367 CD2 PHE B 22932.534 109.048 20.782 1.00 20.35原子4368 CE1 PHE B 22930.157 107.659 20.852 1.00 17.59原子4369 CE2 PHE B 22931.415 109.619 21.365 1.00 17.04原子4370 CZ PHE B 22930.225 108.923 21.398 1.00 18.69原子4371 C PHE B 22935.402 107.294 17.669 1.00 26.92原子4372 O PHE B 22935.636 106.318 16.975 1.00 29.38原子4373 N GLY B 23036.364 108.125 17.992 1.00 28.35原子4374 CA GLY B 23037.725 107.851 17.493 1.00 26.41原子4375 C GLY B 23038.364 106.514 17.891 1.00 25.16原子4376 O GLY B 23039.580 106.387 17.800 1.00 24.78原子4377 N ALA B 23137.577 105.530 18.348 1.00 25.97原子4378 CA ALA B 23138.134 104.234 18.788 1.00 26.04原子4379 CB ALA B 23137.065 103.275 19.280 1.00 26.83原子4380 C ALA B 23139.050 103.575 17.767 1.00 26.99原子4381 O ALA B 23138.628 103.158 16.679 1.00 27.04原子4382 N THR B 23240.303 103.485 18.150 1.00 26.36原子4383 CA THR B 23241.349 102.893 17.346 1.00 25.76原子4384 CB THR B 23242.460 103.926 17.200 1.00 26.18原子4385 OG1 THR B 23243.518 103.434 16.410 1.00 32.28原子4386 CG2 THR B 23243.039 104.388 18.520 1.00 27.67原子4387 C THR B 23241.889 101.622 18.015 1.00 26.18原子4388 O THR B 23242.769 100.948 17.476 1.00 25.89原子4389 N ASP B 23341.361 101.306 19.206 1.00 25.99原子4390 CA ASP B 23341.795 100.134 19.967 1.00 24.56原子4391 CB ASP B 23342.508 100.609 21.257 1.00 28.62原子4392 CG ASP B 23342.360 99.698 22.462 1.00 30.06原子4393 OD1 ASP B 23341.434 99.937 23.262 1.00 34.24原子4394 OD2 ASP B 23343.170 98.751 22.607 1.00 31.50原子4395 C ASP B 23340.642 99.138 20.217 1.00 23.91原子4396 O ASP B 23340.721 98.264 21.080 1.00 26.44原子4397 N TYR B 23439.582 99.258 19.426 1.00 22.91原子4398 CA TYR B 23438.416 98.374 19.516 1.00 20.38原子4399 CB TYR B 23437.380 98.748 18.452 1.00 23.38原子4400 CG TYR B 23437.960 98.779 17.059 1.00 22.55原子4401 CD1 TYR B 23438.028 97.621 16.292 1.00 24.15原子4402 CE1 TYR B 23438.586 97.634 15.026 1.00 24.83原子4403 CD2 TYR B 23438.463 99.958 16.524 1.00 24.39原子4404 CE2 TYR B 23439.020 99.987 15.256 1.00 25.51原子4405 CZ TYR B 23439.079 98.816 14.513 1.00 26.35原子4406 OH TYR B 23439.637 98.829 13.264 1.00 28.21原子4407 C TYR B 23438.799 96.894 19.394 1.00 16.79原子4408 O TYR B 23439.955 96.553 19.144 1.00 19.38原子4409 N THR B 23537.811 96.028 19.600 1.00 13.77原子4410 CA THR B 23537.994 94.578 19.559 1.00 15.58
原子4411 CB THR B 23537.720 93.997 20.961 1.00 11.90原子4412 OG1 THR B 23536.323 93.922 21.190 1.00 11.51原子4413 CG2 THR B 23538.331 94.801 22.094 1.00 14.31原子4414 C THR B 23537.020 93.927 18.573 1.00 14.16原子4415 O THR B 23536.270 94.612 17.896 1.00 16.98原子4416 N SER B 23637.034 92.597 18.544 1.00 17.59原子4417 CA SER B 23636.164 91.783 17.682 1.00 18.69原子4418 CB SER B 23636.558 90.315 17.749 1.00 18.45原子4419 OG SER B 23637.774 90.092 17.041 1.00 24.22原子4420 C SER B 23634.681 91.961 17.979 1.00 20.02原子4421 O SER B 23633.818 91.472 17.225 1.00 20.26原子4422 N SER B 23734.377 92.686 19.053 1.00 18.28原子4423 CA SER B 23732.998 92.964 19.428 1.00 14.71原子4424 CB SER B 23732.950 93.669 20.791 1.00 15.53原子4425 OG SER B 23733.890 94.728 20.825 1.00 16.04原子4426 C SER B 23732.313 93.853 18.388 1.00 12.17原子4427 O SER B 23731.092 93.914 18.335 1.00 8.50原子4428 N ILE B 23833.086 94.551 17.552 1.00 14.47原子4429 CA ILE B 23832.436 95.390 16.518 1.00 16.29原子4430 CB ILE B 23833.426 96.260 15.714 1.00 16.74原子4431 CG2 ILE B 23834.121 97.275 16.622 1.00 16.15原子4432 CG1 ILE B 23834.444 95.401 14.951 1.00 13.48原子4433 CD1 ILE B 23835.264 96.191 13.953 1.00 13.12原子4434 C ILE B 23831.608 94.500 15.573 1.00 14.21原子4435 O ILE B 23830.516 94.872 15.157 1.00 18.18原子4436 N ASP B 23932.119 93.296 15.293 1.00 15.25原子4437 CA ASP B 23931.423 92.306 14.442 1.00 15.37原子4438 CB ASP B 23932.281 91.036 14.263 1.00 13.37原子4439 CG ASP B 23933.405 91.194 13.273 1.00 13.63原子4440 OD1 ASP B 23933.409 92.200 12.542 1.00 14.70原子4441 OD2 ASP B 23934.298 90.306 13.236 1.00 16.99原子4442 C ASP B 23930.089 91.908 15.064 1.00 16.77原子4443 O ASP B 23929.076 91.742 14.355 1.00 16.53原子4444 N VAL B 24030.072 91.754 16.416 1.00 15.89原子4445 CA VAL B 24028.829 91.378 17.109 1.00 12.01原子4446 CB VAL B 24029.046 91.059 18.624 1.00 14.35原子4447 CG1 VAL B 24027.737 91.199 19.387 1.00 9.00原子4448 CG2 VAL B 24029.604 89.650 18.790 1.00 13.00原子4449 C VAL B 24027.787 92.464 16.952 1.00 8.73原子4450 O VAL B 24026.603 92.192 16.799 1.00 14.10原子4451 N TRP B 24128.227 93.698 16.967 1.00 10.49原子4452 CA TRP B 24127.303 94.807 16.790 1.00 13.99原子4453 CB TRP B 24128.004 96.139 17.103 1.00 11.75原子4454 CG TRP B 24127.184 97.333 16.716 1.00 12.61原子4455 CD2 TRP B 24126.341 98.132 17.564 1.00 18.21原子4456 CE2 TRP B 24125.748 99.124 16.747 1.00 18.68原子4457 CE3 TRP B 24126.027 98.109 18.931 1.00 18.35原子4458 CD1 TRP B 24127.074 97.867 15.465 1.00 15.24原子4459 NE1 TRP B 24126.205 98.929 15.473 1.00 18.13原子4460 CZ2 TRP B 24124.861 100.078 17.245 1.00 21.75原子4461 CZ3 TRP B 24125.150 99.051 19.426 1.00 21.43原子4462 CH2 TRP B 24124.572 100.024 18.588 1.00 24.55原子4463 C TRP B 24126.728 94.791 15.340 1.00 12.69原子4464 O TRP B 24125.543 95.009 15.131 1.00 12.66
原子4465 N SER B 24227.588 94.505 14.349 1.00 14.14原子4466 CA SER B 24227.148 94.435 12.938 1.00 14.63原子4467 CB SER B 24228.327 94.072 12.029 1.00 10.79原子4468 OG SER B 24229.311 95.084 12.076 1.00 12.39原子4469 C SER B 24226.071 93.386 12.810 1.00 13.69原子4470 O SER B 24224.987 93.650 12.297 1.00 15.83原子4471 N ALA B 24326.370 92.194 13.328 1.00 15.65原子4472 CA ALA B 24325.426 91.088 13.316 1.00 16.55原子4473 CB ALA B 24326.034 89.868 13.981 1.00 17.84原子4474 C ALA B 24324.106 91.483 13.974 1.00 17.41原子4475 O ALA B 24323.037 90.993 13.589 1.00 17.38原子4476 N GLY B 24424.175 92.403 14.951 1.00 19.03原子4477 CA GLY B 24422.957 92.867 15.607 1.00 17.62原子4478 C GLY B 24422.158 93.748 14.677 1.00 17.92原子4479 O GLY B 24420.942 93.632 14.577 1.00 17.59原子4480 N CYS B 24522.854 94.609 13.952 1.00 19.90原子4481 CA CYS B 24522.191 95.467 12.974 1.00 19.65原子4482 CB CYS B 24523.201 96.399 12.318 1.00 19.83原子4483 SG CYS B 24523.913 97.637 13.424 1.00 22.50原子4484 C CYS B 24521.537 94.590 11.906 1.00 18.91原子4485 O CYS B 24520.475 94.911 11.394 1.00 22.00原子4486 N VAL B 24622.178 93.463 11.596 1.00 20.35原子4487 CA VAL B 24621.664 92.510 10.606 1.00 20.75原子4488 CB VAL B 24622.680 91.385 10.324 1.00 18.97原子4489 CG1 VAL B 24622.076 90.328 9.398 1.00 19.70原子4490 CG2 VAL B 24623.965 91.952 9.752 1.00 19.92原子4491 C VAL B 24620.374 91.877 11.094 1.00 22.64原子4492 O VAL B 24619.347 91.905 10.400 1.00 26.23原子4493 N LEU B 24720.425 91.310 12.308 1.00 22.64原子4494 CA LEU B 24719.262 90.672 12.914 1.00 19.95原子4495 CB LEU B 24719.630 90.135 14.316 1.00 22.43原子4496 CG LEU B 24718.486 89.838 15.293 1.00 20.19原子4497 CD1 LEU B 24717.871 91.125 15.811 1.00 22.92原子4498 CD2 LEU B 24717.428 88.951 14.659 1.00 21.05原子4499 C LEU B 24718.082 91.632 12.975 1.00 20.28原子4500 O LEU B 24716.959 91.267 12.620 1.00 21.69原子4501 N ALA B 24818.337 92.864 13.432 1.00 20.15原子4502 CA ALA B 24817.281 93.873 13.543 1.00 20.23原子4503 CB ALA B 24817.795 95.114 14.261 1.00 17.38原子4504 C ALA B 24816.718 94.230 12.162 1.00 19.28原子4505 O ALA B 24815.507 94.393 11.995 1.00 17.25原子4506 N GLU B 24917.606 94.322 11.171 1.00 21.23原子4507 CA GLU B 24917.186 94.620 9.798 1.00 20.11原子4508 CB GLU B 24918.404 94.766 8.867 1.00 22.01原子4509 CG GLU B 24918.081 95.498 7.573 1.00 24.30原子4510 CD GLU B 24919.266 95.673 6.650 1.00 24.80原子4511 OE1 GLU B 24920.400 95.818 7.144 1.00 25.98原子4512 OE2 GLU B 24919.054 95.684 5.420 1.00 27.86原子4513 C GLU B 24916.229 93.521 9.301 1.00 17.75原子4514 O GLU B 24915.170 93.808 8.766 1.00 18.76原子4515 N LEU B 25016.594 92.262 9.536 1.00 19.74原子4516 CA LEU B 25015.762 91.119 9.146 1.00 21.76原子4517 CB LEU B 25016.456 89.814 9.498 1.00 21.71原子4518 CG LEU B 25017.846 89.609 8.911 1.00 24.86
原子4519 CD1 LEU B 25018.390 88.246 9.311 1.00 22.96原子4520 CD2 LEU B 25017.816 89.758 7.392 1.00 23.16原子4521 C LEU B 25014.372 91.136 9.783 1.00 23.01原子4522 O LEU B 25013.395 90.722 9.156 1.00 22.18原子4523 N LEU B 25114.287 91.592 11.039 1.00 23.52原子4524 CA LEU B 25113.016 91.639 11.765 1.00 23.75原子4525 CB LEU B 25113.267 91.681 13.284 1.00 22.85原子4526 CG LEU B 25114.091 90.544 13.881 1.00 23.41原子4527 CD1 LEU B 25114.665 90.959 15.226 1.00 25.36原子4528 CD2 LEU B 25113.244 89.291 14.029 1.00 23.22原子4529 C LEU B 25112.201 92.866 11.384 1.00 25.00原子4530 O LEU B 25110.976 92.808 11.306 1.00 25.53原子4531 N LEU B 25212.895 93.982 11.191 1.00 27.31原子4532 CA LEU B 25212.275 95.270 10.862 1.00 28.85原子4533 CB LEU B 25213.247 96.394 11.208 1.00 29.10原子4534 CG LEU B 25212.820 97.347 12.316 1.00 30.29原子4535 CD1 LEU B 25213.857 98.451 12.478 1.00 30.64原子4536 CD2 LEU B 25211.453 97.937 12.008 1.00 29.71原子4537 C LEU B 25211.860 95.417 9.396 1.00 29.11原子4538 O LEU B 25211.009 96.245 9.077 1.00 29.16原子4539 N GLY B 25312.483 94.655 8.506 1.00 30.27原子4540 CA GLY B 25312.154 94.786 7.092 1.00 30.40原子4541 C GLY B 25312.909 95.940 6.447 1.00 31.85原子4542 O GLY B 25312.677 96.272 5.291 1.00 31.62原子4543 N GLN B 25413.825 96.545 7.212 1.00 32.10原子4544 CA GLN B 25414.653 97.665 6.754 1.00 30.81原子4545 CB GLN B 25413.814 98.933 6.559 1.00 31.22原子4546 CG GLN B 25413.195 99.477 7.836 1.00 31.70原子4547 CD GLN B 25412.307 100.677 7.595 1.00 30.46原子4548 OE1 GLN B 25412.766 101.814 7.605 1.00 33.00原子4549 NE2 GLN B 25411.023 100.432 7.382 1.00 32.32原子4550 C GLN B 25415.777 97.915 7.759 1.00 30.56原子4551 O GLN B 25415.697 97.455 8.905 1.00 30.99原子4552 N PRO B 25516.849 98.631 7.351 1.00 28.81原子4553 CD PRO B 25517.047 99.200 6.003 1.00 29.65原子4554 CA PRO B 25517.990 98.918 8.228 1.00 26.75原子4555 CB PRO B 25518.932 99.751 7.346 1.00 28.90原子4556 CG PRO B 25518.535 99.399 5.948 1.00 28.37原子4557 C PRO B 25517.565 99.701 9.461 1.00 25.44原子4558 O PRO B 25516.855 100.696 9.371 1.00 23.84原子4559 N ILE B 25617.998 99.221 10.617 1.00 25.79原子4560 CA ILE B 25617.662 99.842 11.893 1.00 22.03原子4561 CB ILE B 25618.048 98.931 13.089 1.00 20.49原子4562 CG2 ILE B 25619.519 98.531 13.046 1.00 16.83原子4563 CG1 ILE B 25617.676 99.562 14.444 1.00 22.30原子4564 CD1 ILE B 25616.380 100.346 14.446 1.00 22.57原子4565 C ILE B 25618.218 101.261 12.029 1.00 20.33原子4566 O ILE B 25617.506 102.163 12.473 1.00 23.40原子4567 N PHE B 25719.472 101.468 11.641 1.00 20.97原子4568 CA PHE B 25720.091 102.794 11.734 1.00 21.60原子4569 CB PHE B 25721.223 102.800 12.777 1.00 21.88原子4570 CG PHE B 25720.968 101.972 14.019 1.00 20.01原子4571 CD1 PHE B 25719.896 102.256 14.857 1.00 20.95原子4572 CD2 PHE B 25721.811 100.924 14.350 1.00 19.46
原子4573 CE1 PHE B 25719.677 101.507 16.001 1.00 21.15原子4574 CE2 PHE B 25721.595 100.170 15.494 1.00 20.25原子4575 CZ PHE B 25720.527 100.461 16.319 1.00 17.61原子4576 C PHE B 25720.625 103.303 10.378 1.00 23.72原子4577 O PHE B 25721.799 103.116 10.050 1.00 24.92原子4578 N PRO B 25819.774 103.959 9.571 1.00 24.77原子4579 CD PRO B 25818.355 104.232 9.859 1.00 24.97原子4580 CA PRO B 25820.173 104.492 8.258 1.00 26.83原子4581 CB PRO B 25818.838 104.562 7.526 1.00 25.37原子4582 CG PRO B 25817.861 104.907 8.601 1.00 26.59原子4583 C PRO B 25820.801 105.892 8.333 1.00 27.49原子4584 O PRO B 25820.148 106.890 8.027 1.00 29.44原子4585 N GLY B 25922.072 105.958 8.723 1.00 28.58原子4586 CA GLY B 25922.763 107.238 8.809 1.00 30.88原子4587 C GLY B 25923.066 107.815 7.430 1.00 32.75原子4588 O GLY B 25923.074 107.080 6.441 1.00 32.73原子4589 N ASP B 26023.304 109.127 7.353 1.00 33.18原子4590 CA ASP B 26023.580 109.762 6.066 1.00 34.42原子4591 CB ASP B 26022.530 110.847 5.730 1.00 35.56原子4592 CG ASP B 26022.547 112.072 6.649 1.00 37.21原子4593 OD1 ASP B 26021.477 112.692 6.836 1.00 38.35原子4594 OD2 ASP B 26023.622 112.424 7.172 1.00 41.05原子4595 C ASP B 26025.004 110.298 5.897 1.00 34.80原子4596 O ASP B 26025.282 110.976 4.901 1.00 35.69原子4597 N SER B 26125.919 110.032 6.843 1.00 34.20原子4598 CA SER B 26127.262 110.591 6.653 1.00 33.70原子4599 CB SER B 26127.282 112.065 7.073 1.00 34.65原子4600 OG SER B 26126.660 112.247 8.333 1.00 34.15原子4601 C SER B 26128.405 109.854 7.338 1.00 33.14原子4602 O SER B 26129.513 109.776 6.792 1.00 35.18原子4603 N GLY B 26228.169 109.389 8.546 1.00 31.51原子4604 CA GLY B 26229.215 108.741 9.316 1.00 28.23原子4605 C GLY B 26229.127 109.228 10.749 1.00 29.20原子4606 O GLY B 26229.340 108.475 11.699 1.00 27.66原子4607 N VAL B 26328.734 110.491 10.879 1.00 28.32原子4608 CA VAL B 26328.510 111.127 12.161 1.00 27.43原子4609 CB VAL B 26328.983 112.591 12.157 1.00 27.60原子4610 CG1 VAL B 26328.678 113.246 13.498 1.00 28.91原子4611 CG2 VAL B 26330.474 112.661 11.844 1.00 26.99原子4612 C VAL B 26327.012 111.072 12.434 1.00 27.34原子4613 O VAL B 26326.580 110.866 13.567 1.00 27.77原子4614 N ASP B 26426.226 111.198 11.351 1.00 24.33原子4615 CA ASP B 26424.772 111.100 11.420 1.00 22.03原子4616 CB ASP B 26424.145 111.447 10.064 1.00 22.91原子4617 CG ASP B 26422.630 111.375 10.086 1.00 23.28原子4618 OD1 ASP B 26422.010 112.133 10.859 1.00 27.20原子4619 OD2 ASP B 26422.062 110.557 9.339 1.00 28.80原子4620 C ASP B 26424.384 109.673 11.814 1.00 20.79原子4621 O ASP B 26423.292 109.420 12.307 1.00 22.24原子4622 N GLN B 26525.305 108.749 11.607 1.00 19.00原子4623 CA GLN B 26525.086 107.361 11.963 1.00 20.26原子4624 CB GLN B 26526.275 106.513 11.496 1.00 16.83原子4625 CG GLN B 26526.099 105.018 11.692 1.00 22.64原子4626 CD GLN B 26524.868 104.484 10.994 1.00 24.93
原子4627 OE1 GLN B 26524.425 105.033 9.974 1.00 27.28原子4628 NE2 GLN B 26524.308 103.408 11.538 1.00 26.87原子4629 C GLN B 26524.892 107.241 13.493 1.00 20.32原子4630 O GLN B 26524.091 106.433 13.951 1.00 19.37原子4631 N LEU B 26625.612 108.079 14.275 1.00 22.23原子4632 CA LEU B 26625.469 108.062 15.742 1.00 24.94原子4633 CB LEU B 26626.575 108.844 16.472 1.00 22.54原子4634 CG LEU B 26626.592 108.702 18.020 1.00 22.64原子4635 CD1 LEU B 26626.751 107.248 18.440 1.00 18.03原子4636 CD2 LEU B 26627.695 109.542 18.637 1.00 19.32原子4637 C LEU B 26624.099 108.589 16.134 1.00 25.37原子4638 O LEU B 26623.478 108.074 17.064 1.00 28.29原子4639 N VAL B 26723.625 109.599 15.391 1.00 24.88原子4640 CA VAL B 26722.312 110.198 15.622 1.00 24.12原子4641 CB VAL B 26722.065 111.430 14.716 1.00 24.95原子4642 CG1 VAL B 26720.651 111.967 14.901 1.00 23.98原子4643 CG2 VAL B 26723.083 112.522 15.004 1.00 25.79原子4644 C VAL B 26721.183 109.182 15.424 1.00 24.25原子4645 O VAL B 26720.201 109.176 16.177 1.00 23.82原子4646 N GLU B 26821.319 108.324 14.408 1.00 25.05原子4647 CA GLU B 26820.299 107.307 14.122 1.00 23.51原子4648 CB GLU B 26820.515 106.693 12.732 1.00 24.47原子4649 CG GLU B 26820.293 107.676 11.584 1.00 21.75原子4650 CD GLU B 26818.934 108.349 11.638 1.00 18.57原子4651 OE1 GLU B 26818.881 109.594 11.611 1.00 22.02原子4652 OE2 GLU B 26817.923 107.632 11.706 1.00 23.39原子4653 C GLU B 26820.292 106.224 15.207 1.00 23.03原子4654 O GLU B 26819.237 105.731 15.613 1.00 22.81原子4655 N ILE B 26921.472 105.884 15.689 1.00 21.74原子4656 CA ILE B 26921.612 104.898 16.744 1.00 24.46原子4657 CB ILE B 26923.102 104.574 16.970 1.00 23.40原子4658 CG2 ILE B 26923.314 103.814 18.275 1.00 22.87原子4659 CG1 ILE B 26923.656 103.780 15.776 1.00 20.00原子4660 CD1 ILE B 26925.164 103.648 15.773 1.00 14.35原子4661 C ILE B 26920.998 105.450 18.041 1.00 26.26原子4662 O ILE B 26920.166 104.797 18.672 1.00 26.78原子4663 N ILE B 27021.406 106.677 18.404 1.00 27.54原子4664 CA ILE B 27020.911 107.364 19.600 1.00 29.63原子4665 CB ILE B 27021.524 108.780 19.734 1.00 27.82原子4666 CG2 ILE B 27020.561 109.740 20.414 1.00 27.92原子4667 CG1 ILE B 27022.859 108.714 20.483 1.00 24.59原子4668 CD1 ILE B 27023.784 109.873 20.192 1.00 20.57原子4669 C ILE B 27019.380 107.439 19.625 1.00 31.35原子4670 O ILE B 27018.766 107.336 20.688 1.00 31.68原子4671 N LYS B 27118.762 107.605 18.456 1.00 31.75原子4672 CA LYS B 27117.298 107.675 18.368 1.00 31.08原子4673 CB LYS B 27116.859 107.825 16.907 1.00 32.98原子4674 CG LYS B 27116.767 109.266 16.432 1.00 35.15原子4675 CD LYS B 27115.829 109.383 15.237 1.00 39.78原子4676 CE LYS B 27116.337 110.374 14.199 1.00 40.13原子4677 NZ LYS B 27115.626 110.220 12.895 1.00 43.28原子4678 C LYS B 27116.635 106.430 18.973 1.00 31.09原子4679 O LYS B 27115.500 106.495 19.450 1.00 31.32原子4680 N VAL B 27217.341 105.297 18.936 1.00 30.13
原子4681 CA VAL B 27216.820 104.033 19.463 1.00 29.49原子4682 CB VAL B 27217.077 102.865 18.479 1.00 29.16原子4683 CG1 VAL B 27216.785 101.520 19.139 1.00 26.10原子4684 CG2 VAL B 27216.254 103.037 17.208 1.00 28.45原子4685 C VAL B 27217.439 103.673 20.811 1.00 29.05原子4686 O VAL B 27216.729 103.343 21.753 1.00 30.91原子4687 N LEU B 27318.763 103.706 20.885 1.00 29.13原子4688 CA LEU B 27319.475 103.352 22.106 1.00 28.98原子4689 CB LEU B 27320.936 103.024 21.786 1.00 27.13原子4690 CG LEU B 27321.202 101.678 21.103 1.00 25.76原子4691 CD1 LEU B 27322.652 101.264 21.268 1.00 24.23原子4692 CD2 LEU B 27320.273 100.605 21.641 1.00 27.25原子4693 C LEU B 27319.413 104.463 23.156 1.00 31.27原子4694 O LEU B 27319.689 104.233 24.344 1.00 33.10原子4695 N GLY B 27419.081 105.664 22.709 1.00 30.29原子4696 CA GLY B 27419.030 106.793 23.599 1.00 28.69原子4697 C GLY B 27420.424 107.311 23.816 1.00 28.22原子4698 O GLY B 27421.393 106.622 23.494 1.00 27.85原子4699 N THR B 27520.548 108.513 24.353 1.00 28.54原子4700 CA THR B 27521.874 109.068 24.585 1.00 29.17原子4701 CB THR B 27521.782 110.445 25.229 1.00 28.46原子4702 OG1 THR B 27520.977 111.305 24.448 1.00 31.45原子4703 CG2 THR B 27523.127 111.112 25.418 1.00 27.39原子4704 C THR B 27522.723 108.132 25.439 1.00 29.25原子4705 O THR B 27522.255 107.618 26.455 1.00 30.69原子4706 N PRO B 27623.989 107.893 25.036 1.00 29.38原子4707 CD PRO B 27624.626 108.455 23.832 1.00 27.67原子4708 CA PRO B 27624.897 107.021 25.778 1.00 28.22原子4709 CB PRO B 27626.006 106.733 24.770 1.00 27.80原子4710 CG PRO B 27626.039 107.941 23.901 1.00 24.60原子4711 C PRO B 27625.462 107.752 26.996 1.00 30.33原子4712 O PRO B 27625.782 108.942 26.918 1.00 28.30原子4713 N THR B 27725.564 107.036 28.122 1.00 30.45原子4714 CA THR B 27726.072 107.619 29.354 1.00 30.41原子4715 CB THR B 27725.700 106.767 30.576 1.00 29.19原子4716 OG1 THR B 27726.399 105.542 30.593 1.00 29.41原子4717 CG2 THR B 27724.222 106.467 30.690 1.00 28.20原子4718 C THR B 27727.571 107.845 29.282 1.00 31.58原子4719 O THR B 27728.264 107.203 28.490 1.00 30.78原子4720 N ARG B 27828.063 108.773 30.111 1.00 32.07原子4721 CA ARG B 27829.485 109.104 30.148 1.00 33.38原子4722 CB ARG B 27829.761 110.140 31.245 1.00 36.19原子4723 CG ARG B 27829.811 109.553 32.648 1.00 40.29原子4724 CD ARG B 27828.417 109.370 33.243 1.00 44.36原子4725 NE ARG B 27828.111 107.962 33.513 1.00 44.31原子4726 CZ ARG B 27826.871 107.469 33.607 1.00 46.69原子4727 NH1 ARG B 27825.808 108.271 33.485 1.00 47.71原子4728 NH2 ARG B 27826.690 106.167 33.831 1.00 46.93原子4729 C ARG B 27830.340 107.855 30.356 1.00 32.74原子4730 O ARG B 27831.452 107.760 29.840 1.00 34.25原子4731 N GLU B 27929.811 106.890 31.101 1.00 32.02原子4732 CA GLU B 27930.529 105.650 31.348 1.00 31.30原子4733 CB GLU B 27929.874 104.848 32.482 1.00 31.99原子4734 CG GLU B 27930.599 103.550 32.841 1.00 35.58
原子4735 CD GLU B 27932.113 103.698 32.960 1.00 36.93原子4736 OE1 GLU B 27932.825 102.674 32.834 1.00 38.36原子4737 OE2 GLU B 27932.589 104.831 33.183 1.00 39.38原子4738 C GLU B 27930.601 104.817 30.068 1.00 28.54原子4739 O GLU B 27931.653 104.304 29.722 1.00 29.69原子4740 N GLN B 28029.471 104.709 29.371 1.00 27.39原子4741 CA GLN B 28029.390 103.959 28.115 1.00 26.77原子4742 CB GLN B 28027.947 103.942 27.595 1.00 24.23原子4743 CG GLN B 28027.039 102.979 28.355 1.00 21.13原子4744 CD GLN B 28025.564 103.172 28.073 1.00 18.64原子4745 OE1 GLN B 28025.120 104.256 27.712 1.00 21.44原子4746 NE2 GLN B 28024.789 102.109 28.242 1.00 22.07原子4747 C GLN B 28030.356 104.535 27.077 1.00 27.30原子4748 O GLN B 28031.039 103.787 26.372 1.00 28.93原子4749 N ILE B 28130.441 105.868 27.023 1.00 28.72原子4750 CA ILE B 28131.350 106.555 26.106 1.00 28.63原子4751 CB ILE B 28131.120 108.079 26.100 1.00 29.61原子4752 CG2 ILE B 28132.235 108.798 25.344 1.00 30.25原子4753 CG1 ILE B 28129.758 108.407 25.489 1.00 28.88原子4754 CD1 ILE B 28129.439 109.885 25.460 1.00 28.04原子4755 C ILE B 28132.809 106.261 26.445 1.00 30.30原子4756 O ILE B 28133.652 106.142 25.549 1.00 30.65原子4757 N ARG B 28233.109 106.138 27.739 1.00 30.28原子4758 CA ARG B 28234.470 105.848 28.181 1.00 29.89原子4759 CB ARG B 28234.605 106.070 29.700 1.00 33.28原子4760 CG ARG B 28235.923 106.718 30.111 1.00 35.52原子4761 CD ARG B 28235.700 107.947 30.990 1.00 40.01原子4762 NE ARG B 28236.769 108.944 30.842 1.00 41.68原子4763 CZ ARG B 28238.015 108.791 31.316 1.00 44.99原子4764 NH1 ARG B 28238.374 107.669 31.946 1.00 45.52原子4765 NH2 ARG B 28238.911 109.763 31.150 1.00 46.24原子4766 C ARG B 28234.855 104.413 27.816 1.00 28.46原子4767 O ARG B 28236.016 104.111 27.549 1.00 28.25原子4768 N GLU B 28333.869 103.536 27.794 1.00 28.29原子4769 CA GLU B 28334.099 102.143 27.448 1.00 30.36原子4770 CB GLU B 28332.931 101.276 27.929 1.00 30.84原子4771 CG GLU B 28332.371 101.707 29.277 1.00 34.73原子4772 CD GLU B 28331.757 100.572 30.063 1.00 35.22原子4773 OE1 GLU B 28330.531 100.604 30.287 1.00 35.59原子4774 OE2 GLU B 28332.505 99.654 30.460 1.00 38.74原子4775 C GLU B 28334.314 101.983 25.938 1.00 30.59原子4776 O GLU B 28335.030 101.083 25.494 1.00 30.56原子4777 N MET B 28433.696 102.869 25.153 1.00 31.90原子4778 CA MET B 28433.824 102.828 23.694 1.00 33.07原子4779 CB MET B 28432.766 103.709 23.010 1.00 31.27原子4780 CG MET B 28431.336 103.320 23.397 1.00 28.45原子4781 SD MET B 28430.074 103.769 22.183 1.00 28.71原子4782 CE MET B 28429.055 104.901 23.120 1.00 28.37原子4783 C MET B 28435.274 103.066 23.209 1.00 35.36原子4784 O MET B 28435.627 102.713 22.095 1.00 36.19原子4785 N ASN B 28536.126 103.628 24.096 1.00 40.09原子4786 CA ASN B 28537.565 103.878 23.885 1.00 41.52原子4787 CB ASN B 28538.228 102.601 23.372 1.00 41.35原子4788 CG ASN B 28539.010 101.810 24.425 1.00 41.10
原子4789 OD1 ASN B 28538.641 100.687 24.743 1.00 39.10原子4790 ND2 ASN B 28540.070 102.412 24.949 1.00 39.99原子4791 C ASN B 28537.889 105.060 22.969 1.00 43.22原子4792 O ASN B 28538.927 105.089 22.316 1.00 44.35原子4793 N PRO B 28636.949 106.038 22.916 1.00 42.77原子4794 CD PRO B 28635.613 105.535 22.609 1.00 42.20原子4795 CA PRO B 28637.137 107.295 22.114 1.00 43.36原子4796 CB PRO B 28635.773 107.946 22.211 1.00 42.17原子4797 CG PRO B 28634.880 106.742 22.145 1.00 41.91原子4798 C PRO B 28638.281 108.205 22.503 1.00 45.30原子4799 O PRO B 28639.043 108.744 21.711 1.00 46.02原子4800 N ASN B 28738.364 108.297 23.816 1.00 46.61原子4801 CA ASN B 28739.252 109.173 24.502 1.00 46.03原子4802 CB ASN B 28740.695 109.000 24.024 1.00 46.35原子4803 CG ASN B 28741.483 108.033 24.931 1.00 47.41原子4804 OD1 ASN B 28742.702 108.016 24.913 1.00 47.27原子4805 ND2 ASN B 28740.769 107.244 25.730 1.00 48.69原子4806 C ASN B 28738.572 110.544 24.324 1.00 45.96原子4807 O ASN B 28737.338 110.570 24.291 1.00 46.40原子4808 N TYR B 28839.234 111.651 24.213 1.00 45.99原子4809 CA TYR B 28838.481 112.942 24.243 1.00 47.00原子4810 CB TYR B 28839.422 114.014 23.729 1.00 46.88原子4811 CG TYR B 28839.402 114.302 22.265 1.00 47.95原子4812 CD1 TYR B 28839.909 113.377 21.352 1.00 48.31原子4813 CE1 TYR B 28839.914 113.642 19.993 1.00 47.74原子4814 CD2 TYR B 28838.901 115.503 21.768 1.00 47.29原子4815 CE2 TYR B 28838.902 115.775 20.411 1.00 47.45原子4816 CZ TYR B 28839.410 114.841 19.528 1.00 48.12原子4817 OH TYR B 28839.414 115.108 18.176 1.00 48.51原子4818 C TYR B 28837.066 113.054 23.631 1.00 48.12原子4819 O TYR B 28836.086 112.693 24.291 1.00 48.23原子4820 N THR B 28936.934 113.523 22.398 1.00 49.01原子4821 CA THR B 28935.644 113.609 21.677 1.00 50.53原子4822 CB THR B 28935.006 112.211 21.583 1.00 49.77原子4823 OG1 THR B 28935.396 111.568 20.363 1.00 47.97原子4824 CG2 THR B 28933.491 112.312 21.629 1.00 48.53原子4825 C THR B 28934.609 114.574 22.268 1.00 52.67原子4826 O THR B 28933.934 114.254 23.256 1.00 53.68原子4827 N GLU B 29034.502 115.768 21.629 1.00 54.04原子4828 CA GLU B 29033.338 116.686 21.857 1.00 55.39原子4829 CB GLU B 29033.580 117.961 21.042 1.00 56.12原子4830 CG GLU B 29033.431 119.249 21.842 1.00 57.86原子4831 CD GLU B 29034.524 119.422 22.886 1.00 59.39原子4832 OE1 GLU B 29035.513 120.138 22.604 1.00 59.57原子4833 OE2 GLU B 29034.391 118.840 23.987 1.00 60.09原子4834 C GLU B 29031.900 116.202 21.684 1.00 56.39原子4835 O GLU B 29031.408 116.094 20.558 1.00 55.69原子4836 N PHE B 29131.251 115.905 22.809 1.00 57.38原子4837 CA PHE B 29129.884 115.385 22.788 1.00 58.23原子4838 CB PHE B 29129.463 114.915 24.213 1.00 58.40原子4839 CG PHE B 29130.191 115.516 25.370 1.00 59.05原子4840 CD1 PHE B 29129.563 116.464 26.167 1.00 59.39原子4841 CD2 PHE B 29131.500 115.157 25.668 1.00 58.98原子4842 CE1 PHE B 29130.226 117.041 27.239 1.00 59.94
原子4843 CE2 PHE B 29132.168 115.732 26.736 1.00 59.79原子4844 CZ PHE B 29131.530 116.674 27.523 1.00 59.54原子4845 C PHE B 29128.841 116.334 22.206 1.00 59.10原子4846 O PHE B 29128.725 116.435 20.979 1.00 59.54原子4847 N LYS B 29228.070 117.028 23.074 1.00 59.05原子4848 CA LYS B 29226.995 117.952 22.657 1.00 59.28原子4849 CB LYS B 29227.321 118.665 21.317 1.00 60.62原子4850 CG LYS B 29226.818 117.941 20.064 1.00 60.64原子4851 CD LYS B 29225.623 118.652 19.431 1.00 61.74原子4852 CE LYS B 29224.974 117.805 18.342 1.00 61.38原子4853 NZ LYS B 29224.644 116.430 18.826 1.00 63.08原子4854 C LYS B 29225.657 117.203 22.558 1.00 58.54原子4855 O LYS B 29224.670 117.727 22.031 1.00 59.16原子4856 N PHE B 29325.645 115.965 23.058 1.00 57.33原子4857 CA PHE B 29324.461 115.098 23.022 1.00 55.98原子4858 CB PHE B 29324.787 113.698 23.560 1.00 54.70原子4859 CG PHE B 29326.048 113.105 23.001 1.00 53.63原子4860 CD1 PHE B 29326.233 112.994 21.631 1.00 53.34原子4861 CD2 PHE B 29327.054 112.665 23.844 1.00 53.03原子4862 CE1 PHE B 29327.397 112.455 21.114 1.00 52.99原子4863 CE2 PHE B 29328.219 112.123 23.335 1.00 53.14原子4864 CZ PHE B 29328.393 112.019 21.967 1.00 53.19原子4865 C PHE B 29323.246 115.676 23.749 1.00 54.80原子4866 O PHE B 29323.260 115.859 24.970 1.00 54.06原子4867 N PRO B 29422.165 115.944 22.994 1.00 54.22原子4868 CD PRO B 29422.067 115.735 21.547 1.00 54.04原子4869 CA PRO B 29420.913 116.473 23.541 1.00 53.37原子4870 CB PRO B 29420.163 116.990 22.296 1.00 54.04原子4871 CG PRO B 29421.098 116.803 21.140 1.00 53.92原子4872 C PRO B 29420.100 115.372 24.220 1.00 52.60原子4873 O PRO B 29419.065 114.955 23.703 1.00 53.54原子4874 N GLN B 29520.595 114.909 25.376 1.00 51.64原子4875 CA GLN B 29519.978 113.844 26.186 1.00 50.54原子4876 CB GLN B 29519.970 114.220 27.672 1.00 49.98原子4877 CG GLN B 29521.056 113.536 28.497 1.00 48.79原子4878 CD GLN B 29520.835 112.037 28.656 1.00 48.49原子4879 OE1 GLN B 29519.740 111.523 28.414 1.00 49.23原子4880 NE2 GLN B 29521.880 111.325 29.067 1.00 47.84原子4881 C GLN B 29518.576 113.436 25.724 1.00 49.95原子4882 O GLN B 29517.598 114.139 25.982 1.00 50.65原子4883 N ILE B 29618.495 112.285 25.044 1.00 49.14原子4884 CA ILE B 29617.226 111.755 24.541 1.00 47.84原子4885 CB ILE B 29617.139 111.751 22.989 1.00 47.05原子4886 CG2 ILE B 29618.317 112.482 22.362 1.00 46.60原子4887 CG1 ILE B 29617.011 110.332 22.422 1.00 47.81原子4888 CD1 ILE B 29615.633 110.022 21.879 1.00 47.64原子4889 C ILE B 29616.928 110.370 25.129 1.00 47.17原子4890 O ILE B 29617.835 109.662 25.572 1.00 47.85原子4891 N LYS B 29715.650 110.008 25.163 1.00 46.24原子4892 CA LYS B 29715.228 108.737 25.734 1.00 46.31原子4893 CB LYS B 29713.770 108.819 26.195 1.00 47.40原子4894 CG LYS B 29713.624 109.112 27.682 1.00 48.65原子4895 CD LYS B 29713.321 110.582 27.938 1.00 49.80原子4896 CE LYS B 29713.284 110.905 29.431 1.00 49.46
原子4897 NZ LYS B 29714.326 111.907 29.813 1.00 49.34原子4898 C LYS B 29715.394 107.577 24.766 1.00 46.58原子4899 O LYS B 29715.210 107.717 23.554 1.00 46.65原子4900 N ALA B 29815.725 106.420 25.322 1.00 45.88原子4901 CA ALA B 29815.898 105.221 24.529 1.00 45.60原子4902 CB ALA B 29816.747 104.203 25.271 1.00 45.85原子4903 C ALA B 29814.549 104.623 24.178 1.00 45.64原子4904 O ALA B 29813.745 104.318 25.061 1.00 45.66原子4905 N HIS B 29914.313 104.446 22.879 1.00 45.97原子4906 CA HIS B 29913.073 103.860 22.397 1.00 44.58原子4907 CB HIS B 29912.970 104.049 20.883 1.00 44.27原子4908 CG HIS B 29911.687 103.567 20.292 1.00 44.81原子4909 CD2 HIS B 29911.433 102.545 19.437 1.00 45.61原子4910 ND1 HIS B 29910.469 104.151 20.559 1.00 44.53原子4911 CE1 HIS B 299 9.518 103.511 19.898 1.00 44.42原子4912 NE2 HIS B 29910.077 102.533 19.208 1.00 44.70原子4913 C HIS B 29913.066 102.374 22.760 1.00 44.19原子4914 O HIS B 29913.877 101.599 22.245 1.00 44.88原子4915 N PRO B 30012.166 101.963 23.677 1.00 43.75原子4916 CD PRO B 30011.186 102.819 24.353 1.00 42.82原子4917 CA PRO B 30012.068 100.575 24.136 1.00 42.83原子4918 CB PRO B 30010.711 100.515 24.856 1.00 42.70原子4919 CG PRO B 30010.079 101.858 24.663 1.00 42.34原子4920 C PRO B 30012.133 99.563 22.989 1.00 42.56原子4921 O PRO B 30011.382 99.659 22.011 1.00 42.03原子4922 N TRP B 30113.050 98.602 23.118 1.00 41.90原子4923 CA TRP B 30113.253 97.562 22.110 1.00 42.83原子4924 CB TRP B 30114.209 96.480 22.629 1.00 41.84原子4925 CG TRP B 30115.664 96.775 22.382 1.00 39.53原子4926 CD2 TRP B 30116.288 97.049 21.119 1.00 39.21原子4927 CE2 TRP B 30117.656 97.263 21.366 1.00 39.10原子4928 CE3 TRP B 30115.820 97.139 19.806 1.00 38.84原子4929 CD1 TRP B 30116.660 96.828 23.314 1.00 39.66原子4930 NE1 TRP B 30117.858 97.124 22.716 1.00 37.86原子4931 CZ2 TRP B 30118.561 97.554 20.347 1.00 39.02原子4932 CZ3 TRP B 30116.718 97.428 18.798 1.00 38.68原子4933 CH2 TRP B 30118.072 97.635 19.073 1.00 38.45原子4934 C TRP B 30111.929 96.945 21.634 1.00 43.72原子4935 O TRP B 30111.745 96.702 20.439 1.00 43.72原子4936 N THR B 30211.011 96.704 22.572 1.00 44.52原子4937 CA THR B 302 9.703 96.124 22.260 1.00 45.04原子4938 CB THR B 302 8.907 95.844 23.545 1.00 45.51原子4939 OG1 THR B 302 7.551 95.537 23.254 1.00 45.99原子4940 CG2 THR B 302 8.926 96.984 24.545 1.00 44.89原子4941 C THR B 302 8.883 97.008 21.308 1.00 45.16原子4942 O THR B 302 8.097 96.498 20.502 1.00 45.19原子4943 N LYS B 303 9.061 98.327 21.401 1.00 44.79原子4944 CA LYS B 303 8.327 99.257 20.541 1.00 44.92原子4945 CB LYS B 303 8.124 100.605 21.251 1.00 46.86原子4946 CG LYS B 303 6.664 101.044 21.336 1.00 49.87原子4947 CD LYS B 303 5.934 100.861 20.003 1.00 51.82原子4948 CE LYS B 303 5.317 102.165 19.496 1.00 52.70原子4949 NZ LYS B 303 4.646 101.983 18.168 1.00 52.78原子4950 C LYS B 303 9.049 99.465 19.198 1.00 43.33
原子4951 O LYS B 303 8.497 100.069 18.276 1.00 42.39原子4952 N VAL B 30410.276 98.956 19.094 1.00 41.74原子4953 CA VAL B 30411.060 99.081 17.868 1.00 41.90原子4954 CB VAL B 30412.546 98.714 18.095 1.00 41.47原子4955 CG1 VAL B 30413.323 98.774 16.785 1.00 42.51原子4956 CG2 VAL B 30413.180 99.628 19.136 1.00 40.62原子4957 C VAL B 30410.490 98.189 16.766 1.00 41.97原子4958 O VAL B 30410.239 98.644 15.651 1.00 42.22原子4959 N PHE B 30510.300 96.917 17.090 1.00 41.01原子4960 CA PHE B 305 9.787 95.947 16.141 1.00 40.52原子4961 CB PHE B 30510.460 94.596 16.352 1.00 37.42原子4962 CG PHE B 30511.955 94.683 16.453 1.00 34.99原子4963 CD1 PHE B 30512.572 94.848 17.684 1.00 32.56原子4964 CD2 PHE B 30512.746 94.603 15.317 1.00 32.98原子4965 CE1 PHE B 30513.945 94.931 17.783 1.00 31.01原子4966 CE2 PHE B 30514.121 94.685 15.410 1.00 31.65原子4967 CZ PHE B 30514.722 94.848 16.646 1.00 32.89原子4968 C PHE B 305 8.269 95.812 16.186 1.00 42.03原子4969 O PHE B 305 7.626 96.153 17.177 1.00 43.48原子4970 N ARG B 306 7.712 95.310 15.087 1.00 43.32原子4971 CA ARG B 306 6.273 95.115 14.952 1.00 44.86原子4972 CB ARG B 306 5.951 94.552 13.566 1.00 46.33原子4973 CG ARG B 306 5.778 95.620 12.493 1.00 50.23原子4974 CD ARG B 306 5.129 95.056 11.224 1.00 52.92原子4975 NE ARG B 306 5.371 93.616 11.070 1.00 55.18原子4976 CZ ARG B 306 6.529 93.092 10.663 1.00 55.49原子4977 NH1 ARG B 306 7.512 93.883 10.231 1.00 54.95原子4978 NH2 ARG B 306 6.696 91.771 10.671 1.00 55.57原子4979 C ARG B 306 5.730 94.165 16.016 1.00 44.89原子4980 O ARG B 306 6.452 93.317 16.528 1.00 44.17原子4981 N PRO B 307 4.430 94.285 16.344 1.00 45.67原子4982 CD PRO B 307 3.491 95.258 15.759 1.00 45.99原子4983 CA PRO B 307 3.785 93.418 17.331 1.00 46.08原子4984 CB PRO B 307 2.315 93.850 17.290 1.00 46.12原子4985 CG PRO B 307 2.324 95.214 16.699 1.00 45.88原子4986 C PRO B 307 3.895 91.958 16.911 1.00 47.24原子4987 O PRO B 307 3.956 91.655 15.718 1.00 48.31原子4988 N ARG B 308 3.923 91.065 17.899 1.00 47.16原子4989 CA ARG B 308 4.024 89.621 17.666 1.00 46.75原子4990 CB ARG B 308 3.070 89.157 16.549 1.00 50.04原子4991 CG ARG B 308 1.887 88.340 17.062 1.00 53.29原子4992 CD ARG B 308 2.099 86.836 16.875 1.00 57.25原子4993 NE ARG B 308 3.413 86.383 17.356 1.00 59.65原子4994 CZ ARG B 308 4.243 85.576 16.668 1.00 60.80原子4995 NH1 ARG B 308 3.924 85.128 15.446 1.00 61.02原子4996 NH2 ARG B 308 5.405 85.218 17.208 1.00 60.97原子4997 C ARG B 308 5.463 89.183 17.371 1.00 45.19原子4998 O ARG B 308 5.743 87.985 17.319 1.00 45.53原子4999 N THR B 309 6.385 90.141 17.222 1.00 42.87原子5000 CA THR B 309 7.788 89.791 16.994 1.00 40.94原子5001 CB THR B 309 8.664 91.050 16.914 1.00 39.67原子5002 OG1 THR B 309 8.368 91.817 15.767 1.00 38.33原子5003 CG2 THR B 30910.150 90.765 16.911 1.00 37.91原子5004 C THR B 309 8.260 88.920 18.164 1.00 41.33
原子5005 O THR B 309 8.044 89.279 19.329 1.00 42.36原子5006 N PRO B 310 8.890 87.760 17.888 1.00 39.38原子5007 CD PRO B 310 9.182 87.232 16.551 1.00 39.12原子5008 CA PRO B 310 9.362 86.853 18.938 1.00 37.84原子5009 CB PRO B 31010.309 85.889 18.203 1.00 37.57原子5010 CG PRO B 31010.409 86.397 16.797 1.00 38.47原子5011 C PRO B 31010.100 87.595 20.057 1.00 35.75原子5012 O PRO B 31011.048 88.331 19.803 1.00 35.84原子5013 N PRO B 311 9.676 87.405 21.322 1.00 35.09原子5014 CD PRO B 311 8.560 86.544 21.737 1.00 34.88原子5015 CA PRO B 31110.315 88.059 22.473 1.00 33.20原子5016 CB PRO B 311 9.520 87.535 23.676 1.00 33.84原子5017 CG PRO B 311 8.225 87.088 23.095 1.00 34.61原子5018 C PRO B 31111.786 87.673 22.581 1.00 30.46原子5019 O PRO B 31112.619 88.486 22.972 1.00 31.06原子5020 N GLU B 31212.099 86.436 22.198 1.00 29.66原子5021 CA GLU B 31213.475 85.934 22.217 1.00 29.89原子5022 CB GLU B 31213.505 84.444 21.857 1.00 33.20原子5023 CG GLU B 31212.895 83.526 22.907 1.00 37.51原子5024 CD GLU B 31211.375 83.517 22.899 1.00 40.54原子5025 OE1 GLU B 31210.787 82.991 23.871 1.00 42.54原子5026 OE2 GLU B 31210.767 84.030 21.926 1.00 42.20原子5027 C GLU B 31214.360 86.729 21.249 1.00 27.38原子5028 O GLU B 31215.516 87.016 21.549 1.00 27.56原子5029 N ALA B 31313.795 87.094 20.093 1.00 26.37原子5030 CA ALA B 31314.522 87.871 19.081 1.00 26.28原子5031 CB ALA B 31313.734 87.919 17.773 1.00 25.20原子5032 C ALA B 31314.813 89.281 19.593 1.00 24.09原子5033 O ALA B 31315.907 89.804 19.407 1.00 26.54原子5034 N ILE B 31413.834 89.868 20.264 1.00 23.59原子5035 CA ILE B 31413.969 91.196 20.846 1.00 23.45原子5036 CB ILE B 31412.623 91.678 21.407 1.00 23.44原子5037 CG2 ILE B 31412.786 92.990 22.165 1.00 26.62原子5038 CG1 ILE B 31411.615 91.830 20.262 1.00 24.35原子5039 CD1 ILE B 31410.334 92.547 20.635 1.00 21.48原子5040 C ILE B 31415.029 91.197 21.946 1.00 24.53原子5041 O ILE B 31415.885 92.090 22.001 1.00 26.34原子5042 N ALA B 31514.987 90.172 22.812 1.00 25.59原子5043 CA ALA B 31515.958 90.036 23.902 1.00 23.39原子5044 CB ALA B 31515.575 88.884 24.837 1.00 21.46原子5045 C ALA B 31517.370 89.850 23.358 1.00 22.54原子5046 O ALA B 31518.298 90.543 23.789 1.00 23.20原子5047 N LEU B 31617.537 88.928 22.392 1.00 19.48原子5048 CA LEU B 31618.860 88.708 21.788 1.00 19.69原子5049 CB LEU B 31618.826 87.569 20.743 1.00 20.12原子5050 CG LEU B 31620.087 87.365 19.872 1.00 18.08原子5051 CD1 LEU B 31621.336 87.216 20.716 1.00 13.38原子5052 CD2 LEU B 31619.926 86.150 18.961 1.00 18.18原子5053 C LEU B 31619.381 90.001 21.155 1.00 17.97原子5054 O LEU B 31620.558 90.325 21.261 1.00 20.62原子5055 N CYS B 31718.492 90.735 20.505 1.00 19.40原子5056 CA CYS B 31718.851 91.990 19.856 1.00 22.68原子5057 CB CYS B 31717.699 92.511 19.011 1.00 24.28原子5058 SG CYS B 31718.179 93.846 17.899 1.00 36.41
原子5059 C CYS B 31719.335 93.050 20.850 1.00 23.21原子5060 O CYS B 31720.324 93.751 20.578 1.00 21.64原子5061 N SER B 31818.660 93.157 22.024 1.00 23.27原子5062 CA SER B 31819.084 94.128 23.054 1.00 21.97原子5063 CB SER B 31818.075 94.219 24.224 1.00 23.01原子5064 OG SER B 31818.004 93.001 24.970 1.00 20.21原子5065 C SER B 31820.468 93.765 23.580 1.00 21.85原子5066 O SER B 31821.228 94.637 23.994 1.00 22.20原子5067 N ARG B 31920.787 92.463 23.558 1.00 21.62原子5068 CA ARG B 31922.079 91.969 24.038 1.00 22.39原子5069 CB ARG B 31921.937 90.550 24.589 1.00 22.99原子5070 CG ARG B 31920.671 90.338 25.426 1.00 27.25原子5071 CD ARG B 31920.836 90.757 26.888 1.00 25.70原子5072 NE ARG B 31922.048 91.537 27.127 1.00 27.16原子5073 CZ ARG B 31923.185 91.038 27.632 1.00 27.95原子5074 NH1 ARG B 31923.258 89.769 28.023 1.00 26.91原子5075 NH2 ARG B 31924.256 91.824 27.752 1.00 30.55原子5076 C ARG B 31923.167 91.990 22.969 1.00 22.03原子5077 O ARG B 31924.264 91.471 23.189 1.00 22.19原子5078 N LEU B 32022.883 92.597 21.818 1.00 22.15原子5079 CA LEU B 32023.883 92.671 20.753 1.00 18.94原子5080 CB LEU B 32023.382 91.989 19.477 1.00 17.86原子5081 CG LEU B 32023.205 90.487 19.563 1.00 16.03原子5082 CD1 LEU B 32022.562 89.959 18.288 1.00 17.54原子5083 CD2 LEU B 32024.538 89.802 19.838 1.00 16.79原子5084 C LEU B 32024.218 94.096 20.462 1.00 16.70原子5085 O LEU B 32025.366 94.449 20.351 1.00 20.20原子5086 N LEU B 32123.202 94.913 20.342 1.00 17.99原子5087 CA LEU B 32123.393 96.315 20.062 1.00 18.47原子5088 CB LEU B 32122.238 96.825 19.195 1.00 17.40原子5089 CG LEU B 32121.995 96.035 17.906 1.00 17.58原子5090 CD1 LEU B 32120.591 96.270 17.404 1.00 16.19原子5091 CD2 LEU B 32123.027 96.403 16.851 1.00 14.68原子5092 C LEU B 32123.521 97.113 21.360 1.00 19.25原子5093 O LEU B 32122.659 97.903 21.707 1.00 16.25原子5094 N GLU B 32224.612 96.866 22.072 1.00 22.51原子5095 CA GLU B 32224.893 97.511 23.354 1.00 23.76原子5096 CB GLU B 32225.302 96.425 24.370 1.00 24.61原子5097 CG GLU B 32225.028 96.766 25.829 1.00 30.02原子5098 CD GLU B 32223.710 96.206 26.325 1.00 27.86原子5099 OE1 GLU B 32223.597 94.974 26.433 1.00 30.28原子5100 OE2 GLU B 32222.792 97.003 26.597 1.00 29.21原子5101 C GLU B 32226.034 98.493 23.203 1.00 21.13原子5102 O GLU B 32227.068 98.149 22.657 1.00 25.15原子5103 N TYR B 32325.859 99.705 23.710 1.00 20.92原子5104 CA TYR B 32326.915 100.715 23.636 1.00 21.89原子5105 CB TYR B 32326.536 101.953 24.426 1.00 21.76原子5106 CG TYR B 32325.653 102.895 23.676 1.00 23.58原子5107 CD1 TYR B 32326.065 103.451 22.471 1.00 22.37原子5108 CE1 TYR B 32325.255 104.328 21.786 1.00 22.17原子5109 CD2 TYR B 32324.411 103.236 24.174 1.00 23.51原子5110 CE2 TYR B 32323.595 104.109 23.495 1.00 25.70原子5111 CZ TYR B 32324.022 104.653 22.302 1.00 24.73原子5112 OH TYR B 32323.205 105.525 21.625 1.00 24.89
原子5113 C TYR B 32328.241 100.186 24.149 1.00 22.26原子5114 O TYR B 32329.276 100.338 23.495 1.00 24.24原子5115 N THR B 32428.220 99.572 25.333 1.00 21.86原子5116 CA THR B 32429.443 99.038 25.915 1.00 19.75原子5117 CB THR B 32429.270 98.807 27.419 1.00 19.32原子5118 OG1 THR B 32428.860 100.009 28.035 1.00 18.31原子5119 CG2 THR B 32430.531 98.334 28.113 1.00 15.93原子5120 C THR B 32429.839 97.776 25.192 1.00 19.46原子5121 O THR B 32429.105 96.794 25.215 1.00 22.97原子5122 N PRO B 32530.974 97.805 24.472 1.00 20.22原子5123 CD PRO B 32531.870 98.973 24.316 1.00 18.06原子5124 CA PRO B 32531.428 96.663 23.665 1.00 18.58原子5125 CB PRO B 32532.754 97.137 23.061 1.00 15.36原子5126 CG PRO B 32532.652 98.627 23.073 1.00 15.96原子5127 C PRO B 32531.586 95.364 24.452 1.00 20.01原子5128 O PRO B 32531.262 94.280 23.936 1.00 17.38原子5129 N THR B 32632.077 95.462 25.700 1.00 19.19原子5130 CA THR B 32632.259 94.262 26.534 1.00 18.37原子5131 CB THR B 32633.212 94.528 27.711 1.00 18.49原子5132 OG1 THR B 32632.854 95.724 28.385 1.00 19.48原子5133 CG2 THR B 32634.672 94.623 27.313 1.00 14.73原子5134 C THR B 32630.925 93.700 27.035 1.00 16.62原子5135 O THR B 32630.866 92.560 27.489 1.00 20.08原子5136 N ALA B 32729.860 94.502 26.935 1.00 17.88原子5137 CA ALA B 32728.508 94.108 27.366 1.00 17.42原子5138 CB ALA B 32727.679 95.344 27.649 1.00 18.02原子5139 C ALA B 32727.774 93.225 26.342 1.00 18.63原子5140 O ALA B 32726.790 92.543 26.683 1.00 17.38原子5141 N ARG B 32828.233 93.249 25.082 1.00 19.14原子5142 CA ARG B 32827.602 92.458 24.016 1.00 15.59原子5143 CB ARG B 32828.110 92.919 22.633 1.00 17.66原子5144 CG ARG B 32827.776 94.355 22.308 1.00 15.25原子5145 CD ARG B 32828.704 94.916 21.237 1.00 18.95原子5146 NE ARG B 32828.488 96.349 21.048 1.00 19.03原子5147 CZ ARG B 32829.428 97.187 20.660 1.00 14.77原子5148 NH1 ARG B 32830.594 96.726 20.266 1.00 14.20原子5149 NH2 ARG B 32829.191 98.491 20.648 1.00 14.60原子5150 C ARG B 32827.910 90.982 24.169 1.00 11.42原子5151 O ARG B 32829.028 90.611 24.489 1.00 11.88原子5152 N LEU B 32926.935 90.135 23.876 1.00 15.38原子5153 CA LEU B 32927.178 88.699 23.928 1.00 17.98原子5154 CB LEU B 32925.959 87.908 23.414 1.00 17.20原子5155 CG LEU B 32924.653 88.035 24.178 1.00 20.30原子5156 CD1 LEU B 32923.594 87.124 23.574 1.00 21.47原子5157 CD2 LEU B 32924.845 87.731 25.661 1.00 22.07原子5158 C LEU B 32928.340 88.355 23.016 1.00 19.84原子5159 O LEU B 32928.686 89.127 22.097 1.00 24.07原子5160 N THR B 33028.906 87.177 23.211 1.00 20.62原子5161 CA THR B 33029.963 86.720 22.333 1.00 20.50原子5162 CB THR B 33031.009 85.887 23.065 1.00 20.77原子5163 OG1 THR B 33030.442 84.714 23.609 1.00 24.50原子5164 CG2 THR B 33031.752 86.626 24.153 1.00 24.53原子5165 C THR B 33029.279 85.866 21.262 1.00 18.71原子5166 O THR B 33028.158 85.406 21.472 1.00 19.35
原子5167 N PRO B 33129.898 85.649 20.099 1.00 19.52原子5168 CD PRO B 33131.220 86.162 19.696 1.00 18.68原子5169 CA PRO B 33129.269 84.844 19.046 1.00 18.22原子5170 CB PRO B 33130.390 84.661 18.018 1.00 16.44原子5171 CG PRO B 33131.249 85.864 18.210 1.00 20.49原子5172 C PRO B 33128.800 83.506 19.608 1.00 15.48原子5173 O PRO B 33127.659 83.139 19.447 1.00 19.60原子5174 N LEU B 33229.680 82.800 20.290 1.00 18.96原子5175 CA LEU B 33229.320 81.507 20.885 1.00 21.83原子5176 CB LEU B 33230.532 80.813 21.489 1.00 22.46原子5177 CG LEU B 33230.508 79.294 21.410 1.00 24.80原子5178 CD1 LEU B 33230.219 78.838 19.982 1.00 28.10原子5179 CD2 LEU B 33231.826 78.721 21.909 1.00 27.01原子5180 C LEU B 33228.190 81.635 21.909 1.00 20.95原子5181 O LEU B 33227.370 80.737 22.032 1.00 23.46原子5182 N GLU B 33328.122 82.779 22.599 1.00 21.24原子5183 CA GLU B 33327.046 83.035 23.563 1.00 20.71原子5184 CB GLU B 33327.355 84.274 24.426 1.00 21.87原子5185 CG GLU B 33328.187 83.989 25.660 1.00 20.42原子5186 CD GLU B 33328.867 85.226 26.207 1.00 20.58原子5187 OE1 GLU B 33329.944 85.079 26.817 1.00 24.35原子5188 OE2 GLU B 33328.341 86.337 26.011 1.00 21.62原子5189 C GLU B 33325.759 83.284 22.813 1.00 19.41原子5190 O GLU B 33324.691 82.822 23.208 1.00 19.72原子5191 N ALA B 33425.860 84.024 21.707 1.00 20.30原子5192 CA ALA B 33424.676 84.307 20.904 1.00 17.94原子5193 CB ALA B 33425.014 85.247 19.740 1.00 22.73原子5194 C ALA B 33424.077 83.000 20.400 1.00 15.00原子5195 O ALA B 33422.864 82.823 20.414 1.00 15.28原子5196 N CYS B 33524.943 82.087 19.956 1.00 16.88原子5197 CA CYS B 33524.503 80.790 19.439 1.00 19.80原子5198 CB CYS B 33525.712 79.943 18.958 1.00 22.65原子5199 SG CYS B 33526.495 80.419 17.358 1.00 25.33原子5200 C CYS B 33523.692 80.022 20.502 1.00 22.56原子5201 O CYS B 33522.717 79.338 20.177 1.00 23.57原子5202 N ALA B 33624.109 80.134 21.777 1.00 23.39原子5203 CA ALA B 33623.438 79.448 22.891 1.00 22.44原子5204 CB ALA B 33624.364 79.323 24.090 1.00 24.40原子5205 C ALA B 33622.138 80.122 23.300 1.00 22.49原子5206 O ALA B 33621.348 79.537 24.045 1.00 23.53原子5207 N HIS B 33721.908 81.351 22.809 1.00 22.20原子5208 CA HIS B 33720.690 82.090 23.129 1.00 19.18原子5209 CB HIS B 33720.677 83.462 22.476 1.00 17.44原子5210 CG HIS B 33719.683 84.412 23.083 1.00 12.51原子5211 CD2 HIS B 33719.854 85.444 23.951 1.00 10.60原子5212 ND1 HIS B 33718.343 84.380 22.799 1.00 12.23原子5213 CE1 HIS B 33717.724 85.349 23.456 1.00 11.82原子5214 NE2 HIS B 33718.626 86.009 24.162 1.00 10.75原子5215 C HIS B 33719.431 81.301 22.787 1.00 23.47原子5216 O HIS B 33719.409 80.490 21.828 1.00 24.86原子5217 N SER B 33818.391 81.516 23.595 1.00 21.84原子5218 CA SER B 33817.124 80.824 23.446 1.00 22.52原子5219 CB SER B 33816.243 81.045 24.674 1.00 21.81原子5220 OG SER B 33815.732 82.352 24.688 1.00 26.16
原子5221 C SER B 33816.375 81.171 22.154 1.00 21.98原子5222 O SER B 33815.437 80.480 21.778 1.00 20.29原子5223 N PHE B 33916.800 82.215 21.455 1.00 24.14原子5224 CA PHE B 33916.144 82.552 20.186 1.00 23.45原子5225 CB PHE B 33916.711 83.863 19.615 1.00 23.33原子5226 CG PHE B 33916.172 84.233 18.250 1.00 24.35原子5227 CD1 PHE B 33917.034 84.532 17.202 1.00 24.89原子5228 CD2 PHE B 33914.812 84.276 18.013 1.00 24.61原子5229 CE1 PHE B 33916.548 84.868 15.946 1.00 22.40原子5230 CE2 PHE B 33914.317 84.612 16.761 1.00 24.59原子5231 CZ PHE B 33915.192 84.910 15.727 1.00 21.68原子5232 C PHE B 33916.377 81.398 19.193 1.00 21.36原子5233 O PHE B 33915.579 81.152 18.297 1.00 22.30原子5234 N PHE B 34017.499 80.716 19.386 1.00 21.16原子5235 CA PHE B 34017.941 79.611 18.561 1.00 21.89原子5236 CB PHE B 34019.452 79.723 18.390 1.00 18.67原子5237 CG PHE B 34019.864 81.007 17.720 1.00 17.61原子5238 CD1 PHE B 34019.361 81.342 16.461 1.00 17.37原子5239 CD2 PHE B 34020.747 81.876 18.331 1.00 16.89原子5240 CE1 PHE B 34019.740 82.517 15.834 1.00 16.28原子5241 CE2 PHE B 34021.131 83.055 17.710 1.00 16.48原子5242 CZ PHE B 34020.626 83.376 16.456 1.00 16.07原子5243 C PHE B 34017.552 78.222 19.084 1.00 24.76原子5244 O PHE B 34018.009 77.206 18.532 1.00 25.73原子5245 N ASP B 34116.699 78.163 20.121 1.00 25.74原子5246 CA ASP B 34116.256 76.877 20.674 1.00 26.49原子5247 CB ASP B 34115.383 77.066 21.923 1.00 26.51原子5248 CG ASP B 34116.165 77.514 23.166 1.00 27.55原子5249 OD1 ASP B 34117.397 77.289 23.232 1.00 24.76原子5250 OD2 ASP B 34115.535 78.090 24.074 1.00 29.17原子5251 C ASP B 34115.511 76.037 19.632 1.00 26.31原子5252 O ASP B 34115.652 74.819 19.599 1.00 27.59原子5253 N GLU B 34214.726 76.693 18.773 1.00 28.02原子5254 CA GLU B 34213.984 75.989 17.723 1.00 27.38原子5255 CB GLU B 34213.200 76.983 16.851 1.00 28.41原子5256 CG GLU B 34211.835 76.474 16.404 1.00 30.01原子5257 CD GLU B 34211.296 77.144 15.141 1.00 30.63原子5258 OE1 GLU B 34210.401 76.558 14.499 1.00 33.14原子5259 OE2 GLU B 34211.755 78.247 14.799 1.00 32.10原子5260 C GLU B 34214.936 75.155 16.852 1.00 26.89原子5261 O GLU B 34214.623 74.028 16.487 1.00 27.34原子5262 N LEU B 34316.104 75.722 16.543 1.00 26.14原子5263 CA LEU B 34317.121 75.056 15.734 1.00 26.03原子5264 CB LEU B 34318.309 75.995 15.498 1.00 24.38原子5265 CG LEU B 34318.008 77.353 14.863 1.00 23.80原子5266 CD1 LEU B 34319.306 78.029 14.443 1.00 23.33原子5267 CD2 LEU B 34317.074 77.199 13.670 1.00 23.09原子5268 C LEU B 34317.622 73.760 16.382 1.00 27.12原子5269 O LEU B 34317.940 72.788 15.681 1.00 26.66原子5270 N ARG B 34417.710 73.753 17.717 1.00 27.38原子5271 CA ARG B 34418.189 72.579 18.461 1.00 28.04原子5272 CB ARG B 34418.639 72.987 19.873 1.00 26.77原子5273 CG ARG B 34420.065 73.500 19.918 1.00 23.60原子5274 CD ARG B 34420.372 74.201 21.229 1.00 20.43
原子5275 NE ARG B 34419.656 75.468 21.370 1.00 15.24原子5276 CZ ARG B 34420.233 76.664 21.314 1.00 14.32原子5277 NH1 ARG B 34421.514 76.784 21.011 1.00 16.66原子5278 NH2 ARG B 34419.520 77.750 21.535 1.00 13.84原子5279 C ARG B 34417.121 71.491 18.533 1.00 29.05原子5280 O ARG B 34417.413 70.348 18.877 1.00 29.56原子5281 N ASP B 34515.891 71.847 18.177 1.00 32.04原子5282 CA ASP B 34514.780 70.905 18.159 1.00 34.68原子5283 CB ASP B 34513.523 71.632 17.696 1.00 36.26原子5284 CG ASP B 34512.250 70.882 17.999 1.00 36.87原子5285 OD1 ASP B 34511.252 71.545 18.346 1.00 40.08原子5286 OD2 ASP B 34512.244 69.641 17.877 1.00 38.07原子5287 C ASP B 34515.116 69.773 17.189 1.00 36.77原子5288 O ASP B 34515.513 70.030 16.055 1.00 37.90原子5289 N PRO B 34615.001 68.509 17.630 1.00 38.35原子5290 CD PRO B 34614.562 68.112 18.980 1.00 38.89原子5291 CA PRO B 34615.342 67.346 16.805 1.00 38.95原子5292 CB PRO B 34615.287 66.185 17.796 1.00 38.46原子5293 CG PRO B 34614.329 66.639 18.836 1.00 38.21原子5294 C PRO B 34614.379 67.098 15.652 1.00 40.21原子5295 O PRO B 34614.730 66.413 14.696 1.00 40.40原子5296 N ASN B 34713.171 67.642 15.751 1.00 41.66原子5297 CA ASN B 34712.163 67.455 14.712 1.00 43.83原子5298 CB ASN B 34710.814 67.114 15.348 1.00 45.27原子5299 CG ASN B 34710.860 65.853 16.188 1.00 46.39原子5300 OD1 ASN B 34710.326 65.815 17.298 1.00 47.81原子5301 ND2 ASN B 34711.498 64.811 15.662 1.00 46.93原子5302 C ASN B 34712.017 68.670 13.782 1.00 44.37原子5303 O ASN B 34711.171 68.666 12.887 1.00 45.46原子5304 N VAL B 34812.830 69.706 14.000 1.00 44.26原子5305 CA VAL B 34812.770 70.918 13.187 1.00 44.40原子5306 CB VAL B 34813.643 72.059 13.765 1.00 43.32原子5307 CG1 VAL B 34815.106 71.863 13.399 1.00 41.21原子5308 CG2 VAL B 34813.146 73.411 13.274 1.00 42.08原子5309 C VAL B 34813.151 70.667 11.725 1.00 44.95原子5310 O VAL B 34814.174 70.043 11.428 1.00 44.90原子5311 N LYS B 34912.321 71.178 10.822 1.00 45.79原子5312 CA LYS B 34912.554 71.042 9.388 1.00 46.82原子5313 CB LYS B 34911.557 70.057 8.758 1.00 48.92原子5314 CG LYS B 34911.517 68.692 9.431 1.00 51.59原子5315 CD LYS B 34912.587 67.757 8.885 1.00 54.24原子5316 CE LYS B 34912.601 66.433 9.638 1.00 56.09原子5317 NZ LYS B 34913.905 65.718 9.507 1.00 58.50原子5318 C LYS B 34912.418 72.393 8.700 1.00 46.09原子5319 O LYS B 34911.781 73.314 9.227 1.00 45.54原子5320 N LEU B 35012.996 72.494 7.507 1.00 45.35原子5321 CA LEU B 35012.928 73.709 6.707 1.00 43.22原子5322 CB LEU B 35013.900 73.582 5.535 1.00 43.49原子5323 CG LEU B 35015.222 74.336 5.638 1.00 44.81原子5324 CD1 LEU B 35015.783 74.263 7.050 1.00 45.17原子5325 CD2 LEU B 35016.220 73.783 4.625 1.00 43.94原子5326 C LEU B 35011.509 73.871 6.156 1.00 41.98原子5327 O LEU B 35010.753 72.903 6.117 1.00 42.03原子5328 N PRO B 35111.125 75.090 5.709 1.00 41.39
原子5329 CD PRO B 35111.947 76.3075.710 1.00 41.42原子5330 CA PRO B 351 9.792 75.3455.145 1.00 41.01原子5331 CB PRO B 351 9.748 76.8664.959 1.00 40.02原子5332 CG PRO B 35110.909 77.3905.734 1.00 41.12原子5333 C PRO B 351 9.584 74.6343.802 1.00 40.65原子5334 O PRO B 351 8.473 74.5953.286 1.00 41.97原子5335 N ASN B 35210.646 74.0503.252 1.00 41.95原子5336 CA ASN B 35210.540 73.3161.988 1.00 43.67原子5337 CB ASN B 35211.620 73.7260.976 1.00 43.38原子5338 CG ASN B 35213.044 73.4171.414 1.00 44.84原子5339 OD1 ASN B 35214.001 73.8510.780 1.00 45.42原子5340 ND2 ASN B 35213.199 72.6722.498 1.00 44.86原子5341 C ASN B 35210.529 71.7982.213 1.00 44.56原子5342 O ASN B 35210.550 71.0241.255 1.00 44.91原子5343 N GLY B 35310.475 71.3823.492 1.00 45.59原子5344 CA GLY B 35310.430 69.9623.839 1.00 45.61原子5345 C GLY B 35311.785 69.3344.108 1.00 45.64原子5346 O GLY B 35311.890 68.3834.888 1.00 45.91原子5347 N ARG B 35412.818 69.8453.450 1.00 45.87原子5348 CA ARG B 35414.168 69.3203.607 1.00 46.82原子5349 CB ARG B 35415.118 70.0222.642 1.00 48.66原子5350 CG ARG B 35415.879 69.0681.739 1.00 51.69原子5351 CD ARG B 35416.789 69.8260.782 1.00 54.15原子5352 NE ARG B 35416.023 70.611 -0.188 1.00 55.74原子5353 CZ ARG B 35416.471 70.956 -1.402 1.00 56.23原子5354 NH1 ARG B 35417.690 70.599 -1.806 1.00 55.16原子5355 NH2 ARG B 35415.693 71.668 -2.210 1.00 56.28原子5356 C ARG B 35414.677 69.4905.036 1.00 45.85原子5357 O ARG B 35414.109 70.2445.824 1.00 46.19原子5358 N ASP B 35515.763 68.7905.354 1.00 44.37原子5359 CA ASP B 35516.369 68.8726.680 1.00 43.25原子5360 CB ASP B 35517.386 67.7376.896 1.00 43.57原子5361 CG ASP B 35516.791 66.3396.930 1.00 44.36原子5362 OD1 ASP B 35517.545 65.3826.667 1.00 43.84原子5363 OD2 ASP B 35515.584 66.1967.229 1.00 46.22原子5364 C ASP B 35517.118 70.1886.820 1.00 41.99原子5365 O ASP B 35517.510 70.8085.821 1.00 41.58原子5366 N THR B 35617.354 70.5958.057 1.00 39.86原子5367 CA THR B 35618.100 71.8118.291 1.00 36.95原子5368 CB THR B 35618.016 72.2339.762 1.00 36.53原子5369 OG1 THR B 35618.489 71.203 10.615 1.00 35.15原子5370 CG2 THR B 35616.626 72.620 10.205 1.00 34.96原子5371 C THR B 35619.543 71.5487.930 1.00 35.17原子5372 O THR B 35620.012 70.4188.058 1.00 34.12原子5373 N PRO B 35720.272 72.5767.484 1.00 34.19原子5374 CD PRO B 35719.788 73.9537.304 1.00 33.98原子5375 CA PRO B 35721.680 72.4257.131 1.00 34.20原子5376 CB PRO B 35722.115 73.8456.729 1.00 34.84原子5377 CG PRO B 35721.057 74.7557.256 1.00 34.63原子5378 C PRO B 35722.496 71.9378.331 1.00 35.28原子5379 O PRO B 35721.939 71.5589.371 1.00 35.46原子5380 N ALA B 35823.812 71.9578.189 1.00 34.83原子5381 CA ALA B 35824.707 71.5259.251 1.00 35.70原子5382 CB ALA B 35826.117 71.3278.712 1.00 35.68
原子5383 C ALA B 35824.728 72.501 10.437 1.00 36.22原子5384 O ALA B 35824.979 73.702 10.285 1.00 37.18原子5385 N LEU B 35924.505 71.945 11.612 1.00 34.98原子5386 CA LEU B 35924.526 72.662 12.886 1.00 35.55原子5387 CB LEU B 35923.135 73.171 13.288 1.00 34.14原子5388 CG LEU B 35922.245 73.728 12.175 1.00 35.54原子5389 CD1 LEU B 35920.775 73.629 12.559 1.00 35.56原子5390 CD2 LEU B 35922.617 75.169 11.852 1.00 35.80原子5391 C LEU B 35925.024 71.670 13.922 1.00 36.61原子5392 O LEU B 35924.878 70.459 13.719 1.00 39.28原子5393 N PHE B 36025.618 72.151 15.014 1.00 35.74原子5394 CA PHE B 36026.140 71.244 16.070 1.00 34.10原子5395 CB PHE B 36025.101 70.202 16.508 1.00 29.33原子5396 CG PHE B 36023.680 70.666 16.405 1.00 26.36原子5397 CD1 PHE B 36022.752 69.925 15.695 1.00 23.97原子5398 CD2 PHE B 36023.275 71.847 17.005 1.00 24.93原子5399 CE1 PHE B 36021.446 70.351 15.579 1.00 21.97原子5400 CE2 PHE B 36021.969 72.277 16.896 1.00 22.81原子5401 CZ PHE B 36021.051 71.525 16.180 1.00 22.58原子5402 C PHE B 36027.437 70.555 15.638 1.00 33.93原子5403 O PHE B 36028.007 69.749 16.371 1.00 33.19原子5404 N ASN B 36127.899 70.912 14.447 1.00 34.31原子5405 CA ASN B 36129.133 70.399 13.858 1.00 34.36原子5406 CB ASN B 36129.057 70.666 12.340 1.00 36.65原子5407 CG ASN B 36129.837 69.677 11.501 1.00 40.02原子5408 OD1 ASN B 36129.922 68.485 11.828 1.00 40.13原子5409 ND2 ASN B 36130.414 70.171 10.402 1.00 41.04原子5410 C ASN B 36130.330 71.154 14.458 1.00 33.34原子5411 O ASN B 36131.319 71.430 13.774 1.00 31.51原子5412 N PHE B 36230.196 71.521 15.743 1.00 31.80原子5413 CA PHE B 36231.196 72.289 16.496 1.00 28.71原子5414 CB PHE B 36230.653 72.660 17.886 1.00 26.16原子5415 CG PHE B 36229.640 73.763 17.848 1.00 22.34原子5416 CD1 PHE B 36228.290 73.482 17.918 1.00 22.56原子5417 CD2 PHE B 36230.042 75.081 17.724 1.00 22.48原子5418 CE1 PHE B 36227.356 74.496 17.867 1.00 22.49原子5419 CE2 PHE B 36229.118 76.099 17.673 1.00 19.68原子5420 CZ PHE B 36227.775 75.807 17.744 1.00 21.78原子5421 C PHE B 36232.537 71.591 16.625 1.00 27.92原子5422 O PHE B 36232.612 70.376 16.705 1.00 29.45原子5423 N THR B 36333.601 72.388 16.658 1.00 29.26原子5424 CA THR B 36334.954 71.859 16.783 1.00 30.32原子5425 CB THR B 36335.778 72.296 15.582 1.00 29.40原子5426 OG1 THR B 36337.077 71.754 15.666 1.00 32.75原子5427 CG2 THR B 36335.928 73.795 15.485 1.00 29.08原子5428 C THR B 36335.681 72.362 18.034 1.00 30.21原子5429 O THR B 36335.297 73.357 18.643 1.00 28.68原子5430 N THR B 36436.794 71.687 18.336 1.00 32.03原子5431 CA THR B 36437.682 72.050 19.433 1.00 33.02原子5432 CB THR B 36438.534 70.857 19.866 1.00 30.93原子5433 OG1 THR B 36437.735 69.764 20.246 1.00 30.53原子5434 CG2 THR B 36439.494 71.166 20.993 1.00 33.47原子5435 C THR B 36438.596 73.166 18.942 1.00 34.09原子5436 O THR B 36439.757 72.945 18.578 1.00 35.92
原子5437 N GLN B 36538.032 74.353 18.916 1.00 33.64原子5438 CA GLN B 36538.682 75.578 18.468 1.00 31.88原子5439 CB GLN B 36539.393 75.369 17.119 1.00 32.40原子5440 CG GLN B 36539.723 76.653 16.360 1.00 30.97原子5441 CD GLN B 36541.069 77.252 16.737 1.00 30.44原子5442 OE1 GLN B 36541.166 78.439 17.028 1.00 31.75原子5443 NE2 GLN B 36542.112 76.438 16.726 1.00 30.94原子5444 C GLN B 36537.591 76.627 18.360 1.00 29.09原子5445 O GLN B 36537.726 77.748 18.841 1.00 30.36原子5446 N GLU B 36636.486 76.205 17.772 1.00 26.33原子5447 CA GLU B 36635.306 77.026 17.614 1.00 26.16原子5448 CB GLU B 36634.363 76.313 16.636 1.00 24.51原子5449 CG GLU B 36633.272 77.179 16.026 1.00 22.75原子5450 CD GLU B 36632.249 76.358 15.262 1.00 20.28原子5451 OE1 GLU B 36631.130 76.851 15.057 1.00 21.44原子5452 OE2 GLU B 36632.564 75.215 14.880 1.00 21.96原子5453 C GLU B 36634.602 77.195 18.969 1.00 26.22原子5454 O GLU B 36633.842 78.137 19.172 1.00 26.02原子5455 N LEU B 36734.857 76.257 19.884 1.00 27.86原子5456 CA LEU B 36734.251 76.269 21.217 1.00 28.45原子5457 CB LEU B 36733.839 74.840 21.631 1.00 26.52原子5458 CG LEU B 36732.727 74.155 20.818 1.00 24.71原子5459 CD1 LEU B 36732.726 72.654 21.075 1.00 23.77原子5460 CD2 LEU B 36731.362 74.745 21.135 1.00 24.85原子5461 C LEU B 36735.209 76.829 22.272 1.00 29.25原子5462 O LEU B 36734.798 77.109 23.393 1.00 28.89原子5463 N SER B 36836.484 76.941 21.906 1.00 29.41原子5464 CA SER B 36837.565 77.401 22.778 1.00 31.33原子5465 CB SER B 36838.843 77.631 21.971 1.00 32.29原子5466 OG SER B 36838.695 78.719 21.073 1.00 35.87原子5467 C SER B 36837.260 78.613 23.675 1.00 32.52原子5468 O SER B 36837.822 78.722 24.774 1.00 34.50原子5469 N SER B 36936.418 79.531 23.219 1.00 31.73原子5470 CA SER B 36936.107 80.729 24.006 1.00 30.54原子5471 CB SER B 36935.446 81.806 23.140 1.00 27.93原子5472 OG SER B 36934.055 81.585 23.014 1.00 26.02原子5473 C SER B 36935.266 80.427 25.252 1.00 31.02原子5474 O SER B 36935.196 81.246 26.169 1.00 32.02原子5475 N ASN B 37034.632 79.256 25.268 1.00 30.60原子5476 CA ASN B 37033.788 78.823 26.377 1.00 29.03原子5477 CB ASN B 37032.537 79.707 26.453 1.00 30.95原子5478 CG ASN B 37031.882 79.694 27.826 1.00 30.19原子5479 OD1 ASN B 37031.168 80.623 28.197 1.00 30.56原子5480 ND2 ASN B 37032.114 78.638 28.578 1.00 30.43原子5481 C ASN B 37033.385 77.352 26.220 1.00 26.71原子5482 O ASN B 37032.225 77.050 25.969 1.00 29.86原子5483 N PRO B 37134.347 76.419 26.352 1.00 25.41原子5484 CD PRO B 37135.765 76.702 26.633 1.00 25.72原子5485 CA PRO B 37134.116 74.969 26.203 1.00 26.79原子5486 CB PRO B 37135.322 74.361 26.903 1.00 26.64原子5487 CG PRO B 37136.410 75.338 26.630 1.00 26.89原子5488 C PRO B 37132.790 74.423 26.776 1.00 28.36原子5489 O PRO B 37132.100 73.658 26.100 1.00 29.50原子5490 N PRO B 37232.419 74.758 28.031 1.00 29.03
原子5491 CD PRO B 37233.178 75.609 28.965 1.00 29.71原子5492 CA PRO B 37231.180 74.249 28.638 1.00 29.24原子5493 CB PRO B 37231.158 74.870 30.042 1.00 29.18原子5494 CG PRO B 37232.154 75.980 30.002 1.00 31.38原子5495 C PRO B 37229.912 74.625 27.864 1.00 28.57原子5496 O PRO B 37228.876 73.977 28.015 1.00 29.72原子5497 N LEU B 37329.978 75.670 27.042 1.00 28.85原子5498 CA LEU B 37328.798 76.087 26.276 1.00 28.73原子5499 CB LEU B 37329.055 77.373 25.481 1.00 28.83原子5500 CG LEU B 37328.932 78.681 26.272 1.00 29.03原子5501 CD1 LEU B 37329.170 79.891 25.376 1.00 27.64原子5502 CD2 LEU B 37327.577 78.781 26.959 1.00 29.15原子5503 C LEU B 37328.266 74.957 25.387 1.00 27.06原子5504 O LEU B 37327.118 74.986 24.956 1.00 27.47原子5505 N ALA B 37429.099 73.946 25.161 1.00 27.71原子5506 CA ALA B 37428.731 72.774 24.367 1.00 29.52原子5507 CB ALA B 37429.912 71.828 24.238 1.00 28.86原子5508 C ALA B 37427.520 72.029 24.936 1.00 30.78原子5509 O ALA B 37426.806 71.353 24.190 1.00 30.95原子5510 N THR B 37527.279 72.143 26.252 1.00 31.43原子5511 CA THR B 37526.133 71.454 26.868 1.00 31.02原子5512 CB THR B 37526.130 71.567 28.406 1.00 31.88原子5513 OG1 THR B 37526.135 72.915 28.829 1.00 33.01原子5514 CG2 THR B 37527.283 70.861 29.079 1.00 30.87原子5515 C THR B 37524.809 71.933 26.288 1.00 29.69原子5516 O THR B 37523.835 71.185 26.234 1.00 29.64原子5517 N ILE B 37624.780 73.177 25.846 1.00 30.31原子5518 CA ILE B 37623.577 73.754 25.254 1.00 30.34原子5519 CB ILE B 37623.427 75.236 25.645 1.00 31.90原子5520 CG2 ILE B 37622.130 75.811 25.093 1.00 33.49原子5521 CG1 ILE B 37623.494 75.418 27.166 1.00 33.13原子5522 CD1 ILE B 37623.394 76.865 27.603 1.00 30.17原子5523 C ILE B 37623.648 73.672 23.720 1.00 29.48原子5524 O ILE B 37622.706 73.231 23.063 1.00 28.38原子5525 N LEU B 37724.780 74.123 23.182 1.00 29.90原子5526 CA LEU B 37725.057 74.163 21.746 1.00 29.31原子5527 CB LEU B 37726.473 74.667 21.509 1.00 27.56原子5528 CG LEU B 37726.729 76.105 21.953 1.00 25.82原子5529 CD1 LEU B 37728.185 76.483 21.739 1.00 24.88原子5530 CD2 LEU B 37725.799 77.061 21.225 1.00 25.71原子5531 C LEU B 37724.838 72.828 21.054 1.00 29.70原子5532 O LEU B 37724.192 72.776 20.019 1.00 30.42原子5533 N ILE B 37825.363 71.754 21.643 1.00 30.75原子5534 CA ILE B 37825.211 70.413 21.097 1.00 30.50原子5535 CB ILE B 37826.559 69.669 21.074 1.00 30.22原子5536 CG2 ILE B 37826.400 68.295 20.428 1.00 30.35原子5537 CG1 ILE B 37827.607 70.511 20.323 1.00 28.02原子5538 CD1 ILE B 37829.016 69.974 20.416 1.00 27.08原子5539 C ILE B 37824.173 69.605 21.882 1.00 32.15原子5540 O ILE B 37824.491 68.998 22.905 1.00 33.58原子5541 N PRO B 37922.908 69.598 21.418 1.00 32.79原子5542 CD PRO B 37922.434 70.307 20.215 1.00 34.93原子5543 CA PRO B 37921.819 68.875 22.084 1.00 33.56原子5544 CB PRO B 37920.581 69.214 21.244 1.00 33.64
原子5545 CG PRO B 37921.127 69.633 19.922 1.00 34.99原子5546 C PRO B 37922.053 67.369 22.126 1.00 33.49原子5547 O PRO B 37922.885 66.844 21.385 1.00 34.07原子5548 N PRO B 38021.328 66.659 23.020 1.00 33.74原子5549 CD PRO B 38020.333 67.233 23.959 1.00 34.16原子5550 CA PRO B 38021.458 65.197 23.196 1.00 33.82原子5551 CB PRO B 38020.300 64.850 24.139 1.00 33.23原子5552 CG PRO B 38020.072 66.100 24.917 1.00 34.15原子5553 C PRO B 38021.338 64.405 21.890 1.00 33.59原子5554 O PRO B 38022.153 63.528 21.617 1.00 33.92原子5555 N HIS B 38120.320 64.713 21.096 1.00 35.19原子5556 CA HIS B 38120.081 64.027 19.825 1.00 37.19原子5557 CB HIS B 38118.759 64.499 19.210 1.00 38.15原子5558 CG HIS B 38118.812 65.874 18.604 1.00 38.93原子5559 CD2 HIS B 38118.392 67.070 19.077 1.00 39.05原子5560 ND1 HIS B 38119.341 66.129 17.353 1.00 39.55原子5561 CE1 HIS B 38119.246 67.420 17.084 1.00 38.69原子5562 NE2 HIS B 38118.673 68.013 18.115 1.00 38.31原子5563 C HIS B 38121.221 64.215 18.817 1.00 39.12原子5564 O HIS B 38121.357 63.427 17.876 1.00 39.80原子5565 N ALA B 38222.013 65.273 19.002 1.00 40.26原子5566 CA ALA B 38223.119 65.594 18.101 1.00 41.09原子5567 CB ALA B 38223.175 67.097 17.866 1.00 40.37原子5568 C ALA B 38224.473 65.093 18.596 1.00 42.29原子5569 O ALA B 38225.485 65.306 17.935 1.00 41.80原子5570 N ARG B 38324.504 64.439 19.752 1.00 43.81原子5571 CA ARG B 38325.757 63.940 20.299 1.00 46.02原子5572 CB ARG B 38325.711 63.948 21.831 1.00 44.99原子5573 CG ARG B 38325.911 65.324 22.441 1.00 42.60原子5574 CD ARG B 38325.629 65.324 23.937 1.00 41.32原子5575 NE ARG B 38325.029 66.586 24.376 1.00 40.35原子5576 CZ ARG B 38324.259 66.720 25.458 1.00 38.67原子5577 NH1 ARG B 38324.014 65.677 26.250 1.00 37.27原子5578 NH2 ARG B 38323.741 67.908 25.751 1.00 36.51原子5579 C ARG B 38326.062 62.533 19.788 1.00 48.67原子5580 O ARG B 38325.150 61.745 19.516 1.00 49.21原子5581 N ILE B 38427.355 62.223 19.671 1.00 51.03原子5582 CA ILE B 38427.798 60.910 19.205 1.00 52.96原子5583 CB ILE B 38428.920 61.013 18.148 1.00 52.76原子5584 CG2 ILE B 38429.157 59.658 17.496 1.00 52.75原子5585 CG1 ILE B 38428.563 62.059 17.086 1.00 51.93原子5586 CD1 ILE B 38429.492 63.253 17.068 1.00 51.77原子5587 C ILE B 38428.272 60.041 20.372 1.00 54.86原子5588 OT1 ILE B 38428.001 58.815 20.344 1.00 55.31原子5589 OXT ILE B 38428.909 60.593 21.309 1.00 55.89TER 5590 ILE B 384原子5591 OH2 TIP1 20.184 97.209 9.978 1.00 14.30原子5592 OH2 TIP2 86.592 49.067 10.183 1.00 15.43原子5593 OH2 TIP3 17.055 66.016 22.246 1.00 16.08原子5594 OH2 TIP4 43.676 99.232 10.734 1.00 18.27原子5595 OH2 TIP5 74.057 43.510 23.648 1.00 8.65原子5596 OH2 TIP6 79.150 41.199 7.662 1.00 16.64原子5597 OH2 TIP7 73.604 48.334 14.257 1.00 17.10原子5598 OH2 TIP8 71.710 51.582 3.800 1.00 26.80原子5599 OH2 TIP9 74.647 44.648 12.301 1.00 25.74
原子5600 OH2 TIP1068.184 50.139 5.114 1.00 22.46原子5601 OH2 TIP1130.995 97.272 13.532 1.00 24.09原子5602 OH2 TIP1231.473 94.065 11.111 1.00 35.85原子5603 OH2 TIP1388.665 47.357 16.164 1.00 21.52原子5604 OH2 TIP1462.931 47.153 11.083 1.00 15.13原子5605 OH2 TIP1532.589 83.518 20.788 1.00 21.19原子5606 OH2 TIP1676.928 36.781 1.256 1.00 35.32原子5607 OH2 TIP1777.542 40.357 22.692 1.00 20.20原子5608 OH2 TIP1839.998 74.585 11.864 1.00 33.26原子5609 OH2 TIP1975.908 25.776 8.313 1.00 31.07原子5610 OH2 TIP2036.308 91.732 5.629 1.00 20.75原子5611 OH2 TIP2134.229 87.485 20.266 1.00 30.78原子5612 OH2 TIP2269.815 37.826 0.045 1.00 31.95原子5613 OH2 TIP2378.149 47.463 24.796 1.00 15.46原子5614 OH2 TIP2467.941 51.729 13.432 1.00 17.40原子5615 OH2 TIP2569.556 26.809 16.650 1.00 25.99原子5616 OH2 TIP2682.058 56.569 8.529 1.00 32.89原子5617 OH2 TIP2734.979 82.693 19.866 1.00 23.31原子5618 OH2 TIP2823.280 100.047 25.484 1.00 24.88原子5619 OH2 TIP2935.288 97.692 5.905 1.00 22.00原子5620 OH2 TIP3076.241 56.395 10.831 1.00 16.49原子5621 OH2 TIP3131.026 90.281 21.603 1.00 13.40原子5622 OH2 TIP3216.272 85.213 27.168 1.00 31.73原子5623 OH2 TIP3334.623 80.209 20.638 1.00 22.53原子5624 OH2 TIP3423.509 83.346 25.930 1.00 26.25原子5625 OH2 TIP3568.471 35.753 -6.941 1.00 31.74原子5626 OH2 TIP3642.708 91.595 -1.200 1.00 30.13原子5627 OH2 TIP3773.882 57.001 9.723 1.00 30.46原子5628 OH2 TIP3819.201 109.504 8.536 1.00 27.81原子5629 OH2 TIP3966.027 53.748 25.075 1.00 23.62原子5630 OH2 TIP4032.828 76.455 3.143 1.00 18.78原子5631 OH2 TIP4131.297 75.533 -5.044 1.00 34.74原子5632 OH2 TIP4246.752 86.115 9.500 1.00 41.15原子5633 OH2 TIP4345.965 90.475 9.941 1.00 19.78原子5634 OH2 TIP4484.824 40.900 6.762 1.00 26.00原子5635 OH2 TIP4588.709 40.949 11.546 1.00 24.12原子5636 OH2 TIP4633.051 73.353 10.148 1.00 34.00原子5637 OH2 TIP4711.488 88.500 10.474 1.00 25.91原子5638 OH2 TIP4835.424 94.037 2.827 1.00 22.82原子5639 OH2 TIP4973.417 40.151 1.138 1.00 33.97原子5640 OH2 TIP5064.215 49.505 11.135 1.00 29.96原子5641 OH2 TIP5135.946 77.916 5.004 1.00 22.91原子5642 OH2 TIP5219.095 111.400 18.136 1.00 32.18原子5643 OH2 TIP5387.512 32.734 22.035 1.00 30.17原子5644 OH2 TIP5477.551 47.032 6.411 1.00 26.58原子5645 OH2 TIP5586.637 41.109 3.619 1.00 26.63原子5646 OH2 TIP5658.706 37.981 -1.600 1.00 33.07原子5647 OH2 TIP5744.991 91.904 1.544 1.00 28.58原子5648 OH2 TIP5882.871 58.902 12.437 1.00 29.62原子5649 OH2 TIP5962.486 37.207 30.060 1.00 27.58原子5650 OH2 TIP6032.219 106.679 11.372 1.00 35.07原子5651 OH2 TIP6168.981 58.634 30.748 1.00 27.70原子5652 OH2 TIP6280.283 44.331 -8.715 1.00 20.83原子5653 OH2 TIP6325.093 71.081 5.643 1.00 31.03
原子5654 OH2 TIP 6438.840 87.644 18.843 1.00 32.58原子5655 OH2 TIP 6535.643 97.747 -3.291 1.00 33.06原子5656 OH2 TIP 6628.484 90.260 29.530 1.00 38.62原子5657 OH2 TIP 6732.057 83.314 26.983 1.00 26.10原子5658 OH2 TIP 6840.728 81.620 21.277 1.00 28.96原子5659 OH2 TIP 6983.110 48.185 -6.280 1.00 36.25原子5660 OH2 TIP 7013.308 79.186 19.324 1.00 27.35原子5661 OH2 TIP 7175.121 65.908 23.710 1.00 33.33原子5662 OH2 TIP 7272.885 49.529 31.358 1.00 43.43原子5663 OH2 TIP 7390.409 43.863 22.223 1.00 35.52原子5664 OH2 TIP 7468.960 27.956 6.246 1.00 29.54原子5665 OH2 TIP 7568.759 24.978 13.691 1.00 36.46原子5666 OH2 TIP 7680.865 28.042 28.894 1.00 22.81原子5667 OH2 TIP 7783.513 20.534 2.136 1.00 44.57原子5668 OH2 TIP 7833.991 88.631 -1.759 1.00 47.18原子5669 OH2 TIP 7931.009 90.742 -1.589 1.00 35.71原子5670 OH2 TIP 8034.056 73.695 12.888 1.00 40.61原子5671 OH2 TIP 8171.030 59.790 1.571 1.00 34.14原子5672 OH2 TIP 8245.548 95.239 15.831 1.00 31.62原子5673 OH2 TIP 8325.823 76.105 11.243 1.00 25.69原子5674 OH2 TIP 8475.453 38.146 30.507 1.00 25.25原子5675 OH2 TIP 8556.540 32.057 24.557 1.00 40.19原子5676 OH2 TIP 8668.921 53.407 27.143 1.00 32.24原子5677 OH2 TIP 8748.823 99.292 13.844 1.00 48.14原子5678 OH2 TIP 8866.603 27.914 24.871 1.00 24.07原子5679 OH2 TIP 8972.553 25.024 4.480 1.00 37.79原子5680 OH2 TIP 9074.805 44.624 26.080 1.00 24.08原子5681 OH2 TIP 9182.314 60.516 10.339 1.00 28.44原子5682 OH2 TIP 9241.009 72.787 -2.680 1.00 49.99原子5683 OH2 TIP 9375.218 36.521 28.025 1.00 21.73原子5684 OH2 TIP 9458.786 33.514 -1.584 1.00 46.12原子5685 OH2 TIP 9559.443 56.186 13.092 1.00 24.57原子5686 OH2 TIP 9644.571 79.740 17.158 1.00 33.72原子5687 OH2 TIP 9736.543 97.946 22.228 1.00 20.11原子5688 OH2 TIP 9842.102 91.284 4.898 1.00 22.27原子5689 OH2 TIP 9983.993 26.068 16.812 1.00 39.48原子5690 OH2 TIP 10071.425 22.395 31.294 1.00 42.78原子5691 OH2 TIP 10141.521 86.237 20.453 1.00 36.59原子5692 OH2 TIP 10277.290 21.465 18.797 1.00 39.54原子5693 OH2 TIP 10334.574 71.613 8.514 1.00 40.98原子5694 OH2 TIP 10480.216 58.145 30.951 1.00 31.65原子5695 OH2 TIP 10551.953 83.113 -1.215 1.00 34.53原子5696 OH2 TIP 10678.065 52.209 26.693 1.00 31.02原子5697 OH2 TIP 10768.221 20.544 13.056 1.00 29.84原子5698 OH2 TIP 108 9.340 73.178 -1.320 1.00 27.34原子5699 OH2 TIP 10982.865 28.096 7.563 1.00 24.08原子5700 OH2 TIP 11051.681 22.615 23.853 1.00 42.57原子5701 OH2 TIP 11180.577 21.841 24.237 1.00 38.89原子5702 OH2 TIP 11229.043 102.944 3.861 1.00 36.35原子5703 OH2 TIP 11334.227 97.988 29.010 1.00 29.76原子5704 OH2 TIP 11440.735 90.064 18.442 1.00 46.42原子5705 OH2 TIP 11525.295 100.974 13.456 1.00 25.31原子5706 OH2 TIP 11675.441 52.065 2.449 1.00 19.42原子5707 OH2 TIP 11774.070 56.553 -0.631 1.00 47.18
原子5708 OH2 TIP11865.566 64.590 9.062 1.00 44.16原子5709 OH2 TIP11960.666 43.201 3.854 1.00 34.57原子5710 OH2 TIP12076.120 45.123 29.617 1.00 36.08原子5711 OH2 TIP12154.142 51.739 14.688 1.00 31.52原子5712 OH2 TIP12239.719 105.971 10.102 1.00 27.01原子5713 OH2 TIP12385.171 44.498 7.479 1.00 31.29原子5714 OH2 TIP12486.210 29.970 -11.184 1.00 29.65原子5715 OH2 TIP12572.634 31.654 -0.249 1.00 25.24原子5716 OH2 TIP12616.147 70.198 22.206 1.00 28.88原子5717 OH2 TIP12737.231 69.031 17.117 1.00 39.61原子5718 OH2 TIP12835.202 98.368 26.457 1.00 23.25原子5719 OH2 TIP129 101.610 39.762 -20.072 1.00 30.45原子5720 OH2 TIP13062.699 33.014 -2.726 1.00 42.68原子5721 OH2 TIP13166.836 50.243 30.662 1.00 39.68原子5722 OH2 TIP132 5.358 93.633 5.849 1.00 48.29原子5723 OH2 TIP13387.786 24.130 -16.104 1.00 39.99原子5724 OH2 TIP13442.301 75.221 8.757 1.00 42.10原子5725 OH2 TIP13578.036 44.723 -10.662 1.00 37.65原子5726 OH2 TIP13638.073 90.012 21.232 1.00 23.10原子5727 OH2 TIP13724.581 92.415 -2.442 1.00 37.05原子5728 OH2 TIP13812.396 106.041 18.053 1.00 43.25原子5729 OH2 TIP13977.977 34.593 3.036 1.00 25.44原子5730 OH2 TIP14040.297 92.891 -1.662 1.00 40.79原子5731 OH2 TIP14135.031 85.843 -0.290 1.00 30.75原子5732 OH2 TIP14278.177 49.267 4.406 1.00 44.08原子5733 OH2 TIP14344.684 85.363 -13.653 1.00 42.96原子5734 OH2 TIP14416.523 68.716 10.379 1.00 44.38原子5735 OH2 TIP14537.171 84.228 20.730 1.00 37.73原子5736 OH2 TIP14684.109 34.734 25.222 1.00 28.75原子5737 OH2 TIP14713.573 65.829 5.292 1.00 41.32原子5738 OH2 TIP14887.775 51.477 19.308 1.00 33.04原子5739 OH2 TIP14961.055 46.851 29.860 1.00 38.86原子5740 OH2 TIP15030.709 93.775 30.547 1.00 35.96原子5741 OH2 TIP15116.687 95.444 4.127 1.00 34.28原子5742 OH2 TIP15220.727 95.654 3.238 1.00 38.20原子5743 OH2 TIP15377.522 26.578 -16.506 1.00 34.79原子5744 OH2 TIP15417.542 77.986 26.146 1.00 40.07原子5745 OH2 TIP15563.161 38.672 -5.820 1.00 54.97原子5746 OH2 TIP15674.192 34.524 35.857 1.00 57.51原子5747 OH2 TIP15721.552 99.456 10.491 1.00 27.88原子5748 OH2 TIP15883.085 24.564 22.892 1.00 31.49原子5749 OH2 TIP15947.798 39.263 -2.076 1.00 54.69原子5750 OH2 TIP16088.099 51.183 23.984 1.00 35.12原子5751 OH2 TIP16124.423 92.769 30.535 1.00 38.45原子5752 OH2 TIP16263.166 20.190 11.461 1.00 46.78原子5753 OH2 TIP16359.098 44.329 5.827 1.00 33.01原子5754 OH2 TIP16413.507 107.912 20.781 1.00 35.72原子5755 OH2 TIP16583.412 61.086 22.636 1.00 35.01原子5756 OH2 TIP16649.112 73.913 6.534 1.00 66.27原子5757 OH2 TIP16791.394 32.212 10.337 1.00 50.39原子5758 OH2 TIP168 6.449 94.287 26.888 1.00 47.63原子5759 OH2 TIP16976.464 68.219 23.721 1.00 53.79原子5760 OH2 TIP17022.808 74.862 19.059 1.00 33.21原子5761 OH2 TIP17148.317 80.149 7.342 1.00 27.26
原子5762 OH2 TIP 17241.162 85.237 -16.033 1.00 39.98原子5763 OH2 TIP 17351.407 31.394 15.649 1.00 42.59原子5764 OH2 TIP 17422.955 60.844 22.421 1.00 38.82原子5765 OH2 TIP 17528.394 98.7791.827 1.00 41.53原子5766 OH2 TIP 17669.684 65.594 24.524 1.00 44.96原子5767 OH2 TIP 17743.200 93.2803.459 1.00 34.13原子5768 OH2 TIP 17817.756 90.119 27.355 1.00 45.97原子5769 OH2 TIP 179 105.475 35.7223.208 1.00 46.41原子5770 OH2 TIP 18018.511 69.070 13.131 1.00 44.83原子5771 OH2 TIP 18134.777 83.786 27.054 1.00 49.09原子5772 OH2 TIP 18276.901 25.642 31.034 1.00 47.31原子5773 OH2 TIP 18348.876 35.9798.482 1.00 32.37原子5774 OH2 TIP 18425.637 99.645 26.739 1.00 45.36原子5775 OH2 TIP 18593.103 36.2390.414 1.00 33.77原子5776 OH2 TIP 18671.600 55.767 30.268 1.00 32.79原子5777 OH2 TIP 18715.541 76.6072.456 1.00 41.98原子5778 OH2 TIP 18841.719 74.503 14.650 1.00 51.88原子5779 OH2 TIP 18975.164 69.545 21.068 1.00 52.07原子5780 OH2 TIP 19074.872 39.797 -2.637 1.00 41.24原子5781 OH2 TIP 19122.684 97.5203.087 1.00 37.30原子5782 OH2 TIP 19225.467 107.6541.749 1.00 41.11原子5783 OH2 TIP 19369.282 51.9342.697 1.00 41.69原子5784 OH2 TIP 19438.994 107.268 27.347 1.00 37.35原子5785 OH2 TIP 19563.092 51.837 28.741 1.00 38.92原子5786 OH2 TIP 19611.487 77.2820.147 1.00 36.21原子5787 OH2 TIP 19736.150 94.786 -15.531 1.00 39.60原子5788 OH2 TIP 19882.360 44.024 21.173 1.00 36.55原子5789 OH2 TIP 19935.092 94.097 23.903 1.00 32.06原子5790 OH2 TIP 20063.021 70.590 15.903 1.00 56.60原子5791 OH2 TIP 20149.283 43.4189.849 1.00 47.58原子5792 OH2 TIP 20236.906 100.577 21.840 1.00 40.78原子5793 OH2 TIP 20376.551 63.953 25.972 1.00 35.46原子5794 OH2 TIP 20487.842 55.120 11.824 1.00 29.94原子5795 OH2 TIP 20536.937 66.014 -8.244 1.00 41.61原子5796 OH2 TIP 20682.257 40.382 21.175 1.00 36.08原子5797 OH2 TIP 20775.418 44.375 -1.993 1.00 40.61原子5798 OH2 TIP 208 8.151 69.166 16.710 1.00 44.90原子5799 OH2 TIP 20983.811 57.022 19.559 1.00 23.75原子5800 OH2 TIP 21089.732 38.502 10.624 1.00 45.38原子5801 OH2 TIP 21157.995 53.900 13.742 1.00 45.45原子5802 OH2 TIP 21241.221 100.360 -7.718 1.00 49.06原子5803 OH2 TIP 21372.092 37.629 32.475 1.00 61.51原子5804 OH2 TIP 21437.776 74.115 23.513 1.00 53.60原子5805 OH2 TIP 21595.633 49.033 19.239 1.00 39.53原子5806 OH2 TIP 21615.800 72.932 22.618 1.00 47.69原子5807 OH2 TIP 21763.637 26.806 29.999 1.00 42.46原子5808 OH2 TIP 21848.894 66.556 -18.212 1.00 40.87原子5809 OH2 TIP 21976.997 21.6464.056 1.00 37.21原子5810 OH2 TIP 22086.518 26.866 20.224 1.00 45.02原子5811 OH2 TIP 22144.243 76.229 10.420 1.00 38.37原子5812 OH2 TIP 22225.182 88.366 -6.548 1.00 37.81原子5813 OH2 TIP 22399.608 46.589 -2.471 1.00 52.75原子5814 OH2 TIP 22464.098 59.015 25.988 1.00 34.05原子5815 OH2 TIP 22549.905 102.416 19.684 1.00 44.14
原子5816 OH2 TIP 22691.136 36.314 11.446 1.00 47.05原子5817 OH2 TIP 22781.387 55.146 27.778 1.00 47.39原子5818 OH2 TIP 22860.811 69.016 15.894 1.00 48.74原子5819 OH2 TIP 22960.946 61.261 26.309 1.00 54.59原子5820 OH2 TIP 23033.525 74.075 4.130 1.00 51.65原子5821 OH2 TIP 23185.430 32.491 -10.569 1.00 31.56原子5822 OH2 TIP 23212.280 91.312 -6.338 1.00 37.69原子5823 OH2 TIP 23329.661 83.836 -4.637 1.00 33.62原子5824 OH2 TIP 23468.894 24.672 2.939 1.00 31.68原子5825 OH2 TIP 23584.378 21.827 27.009 1.00 38.47原子5826 OH2 TIP 23661.770 41.536 29.780 1.00 28.87原子5827 OH2 TIP 23722.526 69.316 12.108 1.00 56.68原子5828 OH2 TIP 23872.573 40.681 -4.565 1.00 41.36原子5829 OH2 TIP 23964.589 45.566 4.403 1.00 21.60原子5830 OH2 TIP 24039.921 76.650 -25.549 1.00 42.96原子5831 OH2 TIP 24137.402 83.028 26.817 1.00 45.34原子5832 OH2 TIP 24233.290 71.184 24.438 1.00 41.99原子5833 OH2 TIP 24320.114 105.283 26.910 1.00 42.62原子5834 OH2 TIP 24472.442 42.860 29.082 1.00 42.21原子5835 OH2 TIP 24513.992 82.149 1.241 1.00 38.85原子5836 OH2 TIP 24641.909 97.922 17.548 1.00 41.20原子5837 OH2 TIP 24772.472 45.709 8.588 1.00 21.46原子5838 OH2 TIP 24870.421 54.773 -0.661 1.00 43.75原子5839 OH2 TIP 24967.143 38.463 0.215 1.00 36.80原子5840 OH2 TIP 25087.976 55.453 18.319 1.00 28.56原子5841 OH2 TIP 25169.999 46.346 31.247 1.00 39.70原子5842 OH2 TIP 25254.539 50.747 4.830 1.00 37.48原子5843 OH2 TIP 25321.028 80.517 26.853 1.00 44.29原子5844 OH2 TIP 25418.684 98.982 25.594 1.00 37.90原子5845 OH2 TIP 25570.229 34.803 -1.368 1.00 60.61原子5846 OH2 TIP 25687.106 48.869 19.010 1.00 32.54原子5847 OH2 TIP 25747.420 88.249 7.951 1.00 35.67原子5848 OH2 TIP 25821.063 115.438 17.316 1.00 35.89原子5849 OH2 TIP 25924.427 110.948 2.222 1.00 34.03原子5850 OH2 TIP 26052.830 46.305 6.084 1.00 39.87原子5851 OH2 TIP 26142.265 94.805 19.620 1.00 24.07原子5852 OH2 TIP 26256.057 57.733 27.560 1.00 42.47原子5853 OH2 TIP 26319.351 82.738 26.360 1.00 35.37原子5854 OH2 TIP 26423.144 73.194 30.688 1.00 47.32原子5855 OH2 TIP 26563.013 62.906 25.680 1.00 38.65原子5856 OH2 TIP 26641.859 70.029 -12.808 1.00 43.16原子5857 OH2 TIP 26741.047 94.499 -12.252 1.00 30.89原子5858 OH2 TIP 26849.322 44.383 24.746 1.00 57.50原子5859 OH2 TIP 26914.345 83.254 27.072 1.00 47.73原子5860 OH2 TIP 27084.431 23.892 -19.636 1.00 50.82原子5861 OH2 TIP 271 7.771 98.423 13.702 1.00 46.11原子5862 OH2 TIP 27213.603 76.350 -2.466 1.00 47.00原子5863 OH2 TIP 27343.175 41.193 4.583 1.00 40.21原子5864 OH2 TIP 27458.291 51.532 7.003 1.00 54.17原子5865 OH2 TIP 27551.325 90.886 14.219 1.00 42.67原子5866 OH2 TIP 27686.090 56.149 23.228 1.00 40.06原子5867 OH2 TIP 27750.966 45.969 21.203 1.00 32.47原子5868 OH2 TIP 27889.100 42.135 3.527 1.00 47.40原子5869 OH2 TIP 27917.273 95.041 1.168 1.00 43.83
原子5870 OH2 TIP 28058.673 98.407 -7.046 1.00 45.08原子5871 OH2 TIP 28178.163 17.0764.589 1.00 46.28原子5872 OH2 TIP 282 101.345 35.9527.650 1.00 41.44原子5873 OH2 TIP 28358.562 28.216 31.037 1.00 37.19原子5874 OH2 TIP 284 3.431 93.236 20.866 1.00 46.44原子5875 OH2 TIP 28546.206 100.458 11.278 1.00 42.03原子5876 OH2 TIP 286 7.144 99.4685.033 1.00 60.41原子5877 OH2 TIP 28756.442 16.403 16.295 1.00 48.75原子5878 OH2 TIP 28872.651 59.077 36.505 1.00 45.43原子5879 OH2 TIP 28915.525 86.890 -5.252 1.00 45.27原子5880 OH2 TIP 29052.750 75.9914.087 1.00 52.62原子5881 OH2 TIP 29148.875 99.238 -12.260 1.00 44.59原子5882 OH2 TIP 29246.786 90.537 21.400 1.00 39.68原子5883 OH2 TIP 29385.515 48.6127.509 1.00 34.49原子5884 OH2 TIP 294 7.945 73.643 11.102 1.00 42.36原子5885 OH2 TIP 29518.140 70.001 15.786 1.00 43.51原子5886 OH2 TIP 29654.034 38.692 -2.318 1.00 46.78原子5887 OH2 TIP 29758.790 38.984 30.000 1.00 42.56原子5888 OH2 TIP 29853.117 25.322 21.425 1.00 48.65原子5889 OH2 TIP 29979.667 23.687 28.724 1.00 31.36原子5890 OH2 TIP 30065.052 55.747 26.794 1.00 43.24原子5891 OH2 TIP 30182.283 36.493 26.079 1.00 36.32原子5892 OH2 TIP 30227.538 89.554 -2.616 1.00 41.41原子5893 OH2 TIP 30355.070 40.595 29.011 1.00 38.03原子5894 OH2 TIP 304 101.938 39.946 -7.588 1.00 47.50原子5895 OH2 TIP 30594.519 53.023 16.596 1.00 46.73原子5896 OH2 TIP 306 4.609 98.144 17.159 1.00 47.55原子5897 OH2 TIP 30772.568 17.727 20.484 1.00 43.07原子5898 OH2 TIP 30844.734 92.751 -18.906 1.00 41.46原子5899 OH2 TIP 30939.432 70.028 -8.496 1.00 43.09原子5900 OH2 TIP 31078.014 22.700 12.525 1.00 38.49原子5901 OH2 TIP 31115.607 102.2397.211 1.00 40.40原子5902 OH2 TIP 31262.505 32.788 30.140 1.00 27.47原子5903 OH2 TIP 31316.926 100.528 24.125 1.00 42.11原子5904 OH2 TIP 31488.342 39.723 21.124 1.00 27.74原子5905 OH2 TIP 31566.669 57.2070.563 1.00 37.58原子5906 OH2 TIP 31659.985 92.952 -1.731 1.00 41.14原子5907 OH2 TIP 31775.200 40.815 31.050 1.00 46.78原子5908 OH2 TIP 31889.890 31.775 17.421 1.00 43.01原子5909 OH2 TIP 31936.404 68.064 -5.905 1.00 56.47原子5910 OH2 TIP 32084.306 38.435 22.961 1.00 30.27原子5911 OH2 TIP 32137.796 96.408 -12.774 1.00 61.55原子5912 OH2 TIP 32219.428 69.3972.023 1.00 33.71原子5913 OH2 TIP 32357.496 90.6361.067 1.00 54.98原子5914 OH2 TIP 32412.053 82.679 19.654 1.00 38.70原子5915 OH2 TIP 32588.445 13.0282.038 1.00 43.48原子5916 OH2 TIP 32669.293 34.255 -4.128 1.00 36.68原子5917 OH2 TIP 32770.958 38.574 -3.994 1.00 40.96原子5918 OH2 TIP 32885.340 60.784 14.081 1.00 43.08原子5919 OH2 TIP 32915.966 91.329 -4.428 1.00 61.14原子5920 OH2 TIP 33020.245 87.313 26.799 1.00 46.63原子5921 OH2 TIP 331 4.489 97.007 19.737 1.00 56.45原子5922 OH2 TIP 33285.224 40.2071.203 1.00 40.83原子5923 OH2 TIP 33333.134 94.962 -3.857 1.00 32.00
原子5924 OH2 TIP33481.535 66.877 20.224 1.00 41.87原子5925 OH2 TIP33522.505 114.686 12.039 1.00 42.78原子5926 OH2 TIP33651.440 46.909 13.064 1.00 66.48TER 5927 TIP336原子5928 C1 GOL52979.436 25.570 17.948 1.00 44.78原子5929 O1 GOL52980.194 24.757 17.061 1.00 44.32原子5930 C2 GOL52977.910 25.395 17.624 1.00 46.09原子5931 O2 GOL52977.242 24.886 18.794 1.00 45.98原子5932 C3 GOL52977.690 24.402 16.446 1.00 47.19原子5933 O3 GOL52976.335 24.396 15.965 1.00 45.74原子5934 C1 GOL53078.715 26.7729.652 1.00 54.03原子5935 O1 GOL53079.769 27.605 10.132 1.00 51.36原子5936 C2 GOL53079.284 25.3569.258 1.00 55.43原子5937 O2 GOL53078.624 24.336 10.032 1.00 55.99原子5938 C3 GOL53080.810 25.2709.508 1.00 56.69原子5939 O3 GOL53081.303 23.9319.405 1.00 58.79原子5940 C1 GOL53179.935 36.623 23.917 1.00 28.32原子5941 O1 GOL53179.999 38.046 24.006 1.00 31.93原子5942 C2 GOL53178.449 36.144 24.139 1.00 29.57原子5943 O2 GOL53177.997 35.405 22.997 1.00 29.88原子5944 C3 GOL53177.481 37.343 24.380 1.00 29.38原子5945 O3 GOL53176.119 36.913 24.548 1.00 26.36原子5946 C1 GOL53279.310 52.604 22.101 1.00 21.78原子5947 O1 GOL53279.210 53.188 20.791 1.00 17.99原子5948 C2 GOL53278.806 51.109 22.092 1.00 14.64原子5949 O2 GOL53279.917 50.290 22.447 1.00 18.34原子5950 C3 GOL53278.316 50.657 20.683 1.00 21.57原子5951 O3 GOL53277.640 49.388 20.678 1.00 14.27原子5952 C1 GOL53312.964 90.7436.167 1.00 35.75原子5953 O1 GOL53314.136 90.0646.618 1.00 40.00原子5954 C2 GOL53313.372 92.1685.655 1.00 35.48原子5955 O2 GOL53313.004 92.2744.266 1.00 32.20原子5956 C3 GOL53314.904 92.3935.800 1.00 31.71原子5957 O3 GOL53315.276 93.7675.694 1.00 28.86原子5958 C1 GOL53455.733 40.0129.098 1.00 22.83原子5959 O1 GOL53456.861 39.4359.738 1.00 24.61原子5960 C2 GOL53456.230 41.1938.164 1.00 25.10原子5961 O2 GOL53455.900 40.8266.823 1.00 20.99原子5962 C3 GOL53457.766 41.3878.242 1.00 23.90原子5963 O3 GOL53458.168 42.7428.018 1.00 25.49TER 5964 GOL534图1示意性说明了基于衍生的晶体结构的GSK3-β三维结构。构建体包括N末端和C-末端结构域，以及在两个结构域之间形成的活性位点。N末端结构域包括β-桶。活性位点区域包括ATP结合位点、镁结合/催化碱基位点和底物结合位点。
图2示意性说明了基于衍生的晶体结构的GSK3-β构建体活性位点(包括催化位点和底物结合位点)的三维结构。活性位点包括Pro136和Phe67以及其它氨基酸残基。
脱辅蛋白质活性位点的结构信息可提供合理设计配体的基础，得到有效治疗GSK3-β活性介导的各种病况的治疗化合物。因此，晶体学数据获得的结构信息可如下所述用于开发配体方案，和合理设计介导GSK3-β活性的药物。
GSK3结构表象如上所述在一个方面，本发明提供了一种鉴定用于治疗GSK3-β活性介导的各种病况的可能治疗方法。该方法涉及使用GSK构建体的代表性三维结构。该代表性三维结构可以是(a)完整GSK构建体，(b)GSK3片段，含有GSK3构建体，或(c)GSK构建体的片段，含有与能介导GSK3活性的配体相互作用的氨基酸。
结构表象优选基于或衍生自表2列出的原子坐标，它代表了完整GSK构建体的结构。合适的结构表象包括衍生自这些原子坐标的三维模型和分子表面。表2中的坐标包括结构水和甘油分子。它们可在其它结构衍生的模型(依赖于分辨率和空间基团)中改变或甚至不存在。这些溶剂分子在结晶和结晶之间是不同的。
表2中标出的原子坐标的变体也可用于本发明，例如与表2的原子坐标相比，所有重(即非氢)原子的x，y和z坐标的RMS偏差小于约2.5_，例如小于约2_，优选小于约1_，更优选小于约0.5_，或最优选小于约0.1_)的变体。还可用维持原子的三维空间关系的坐标变换得到合适的变体。
本文提供的原子坐标还可用作进一步蛋白质结构的模型基础。例如，同源模型可能基于GSK构建体结构。坐标还可用于溶液或进一步精炼GSK3晶体结构，例如与新配体的共结晶结构。
GSK3结构表象储藏介质GSK构建体的原子坐标可储藏在介质上，随后用于计算装置，例如计算机(例如超级计算机、大型机、小型机或微处理器)。通常坐标储藏在用于保存大量数据的介质上，例如磁性或光学介质(例如软盘、硬盘、光盘、磁光介质(“软光”盘或磁带)或电子介质(例如随机存取存储器(RAM)或只读存储器(ROM)))上。储藏介质可在计算机中或可以是远程的(例如网络化的储藏介质，包括国际互联网)。计算机、储藏介质、网络化和其它装置或技术的选择应该对于结构/计算化学领域的技术人员是熟悉的。
本发明还提供了计算机的计算机可读介质，其中含有GSK构建体的原子坐标和/或三维结构表象。原子坐标优选是表2所标出的那些及其变体。任何合适的计算机可用于本发明。
GSK3-β配体方案开发如上所述，晶体学数据获得的结构信息可用于开发用于合理设计介导GSK3-β活性的化合物的配体方案。可考虑上面获得的对于脱辅蛋白质的结构信息开发配体方案。还可通过测定蛋白质与结合的配体的额外结构，来开发和精炼配体方案。最终开发的配体方案识别介导GSK3-β活性的可能治疗性化合物。
配体方案最初基于配体和蛋白质配体结合位点之间的形状相互作用。形状相互作用的评估可包括考虑配体的构形特征，对配体基于其实现与配体结合位点相容的低能量构形的能力进行评级。形状相互作用还可用于使配体和结合位点之间的热函相互作用最大化。
开发配体方案的方法可广泛变化。例如，可通过专家目测活性位点结构开发方案。这种观测可包括考虑结合位点和配体结构以及化合物数据库检索。方案的开发还可以考虑生物学数据和结构活性关系(SAR)，并考虑已知配体结合与其它类似的蛋白质的相互作用。
在任何情况下，考虑包括一级和二级相互作用的配体结合相互作用和导致药效团来开发配体方案。术语“药效团”指代表引起配体活性的特定特征的化学特征和三维约束条件的集合。药效团包括表面可接近的特征、氢键供体和受体、带电/可离子化基团、和/或疏水膜片等。
除了上述配体方案开发的过程，可对GSK3构建体的结构表象使用其它基于结构的药物设计技术，以鉴定与GSK3相互作用，介导GSK3活性的化合物。各种合适的技术是本领域一般技术人员可得的。
在基于结构的药物设计中所用的实现分子建模技术的软件包包括SYBYL(购自Tripos Inc.，http://www/tripos.com)；AMBER(购自Oxford Molecular，http://www.oxmol.co.uk)；CERIUS2(购自Molecular Simulations Inc.，http://www.msn.com)；INSIGHT II(购自Molecular Simulations Inc.，http://www.msn.com)；CATALYST(购自Molecular Simulations Inc.，http://www.msn.com)；QUANTA(购自Molecular Simulations Inc.，http://www.msn.com)；HYPERCHEM(购自Hypercube Inc.，http://www.hyper.com)；FIRST DISCOVERY(购自Schrodinger Inc.，http://www.schrodinger.com)、MOE(购自Chmical Computing Group，http://www.chemicomp.com)和CHEMSITE(购自Pyramid Learning，http://www。chemsite.org)等。
建模软件可用于确定GSK3结合表面，并揭示例如范德华接触、静电相互作用和/或氢键结合机会的特征。这些结合表面可用于建立配体与GSK3对接模型，获得假说的药效团，并从头设计可能的治疗性化合物。
GSK3-β配体虚拟筛选脱辅蛋白质的三维结构，特别是蛋白质活性位点的结构，能够确定化合物是否适应活性位点。利用快速对接程序，可评估来自例如化合物数据库的各化合物对于活性位点的结合。可对特定化合物的适合进行评估和评分。设定评分阈值可提供一族化合物，作为虚拟筛选的解决方法。
在第一个水平，虚拟筛选考虑脱辅蛋白质的活性位点的三维结构。在第二个水平，虚拟筛选考虑配体方案，并利用确定蛋白质与结合的配体结构获得的信息。即使没有对结合的配体的结构信息，虚拟筛选也是可能的。
从虚拟筛选获得的信息可用于进一步开发配体方案。另外，当虚拟筛选的结构指出了一种有希望的化合物时，可获得化合物并筛选其相关生物活性。
对接对接指基于考虑的能量，将两种或多种分子对齐的过程。对接将两个或多个分子的三维结构对齐，以预计这些分子形成的复合物的构形(见例如Blaney &Dixon(1993)Perspectives in Drug Discovery and Design 1301)。在本发明的实施中，分子与GSK3构建体结构对接，以评估其与GSK3相互作用的能力。
对接可通过配体及其受体的几何匹配，或通过使相互作用的能量最小化完成。几何匹配算法是优选的，因为它们的相对速度。
合适的对接算法包括DOCK(Kuntz等(1982)J.Mol.Biol.161269-288，购自UCSF)，基于结构的药物设计的原型程序；AUTODOCK(Goodsell &Olson(1990)ProteinsSturcture，Function and Genetics 8195-202，购自OxfordMolecular http://www.oxmolco.uk)，用基于栅格的Monte Carlo模拟退火，以柔性的方式将配体与受体对接。AUTODOCK程序的柔性性质帮助避免用户检索人员带来的偏差(例如配体在活性位点中的朝向和构形)(Meyer等，(1995)，Persp.Drug.Disc.3168-95)，因为刚性对接的起始构形通常向配体的最小能量构形偏差，但结合构形可以具有较高的构型能量(Nicklaus等(1995)Bioorganic & MedicinalChemistry 3411)。
其它合适的对接算法包括MOE-DOCK(购自Chmical Computing Group，http://www.chemicomp.com)，其中用模拟的退火搜索算法弹性对接配体，用基于栅格的能量评估对对接的构形进行评分；FLExX(购自Tripos Inc.，http://www.tripos.com)，它用增加的构建算法将构形柔性的配体与结合位点对接，该算法在位点内创建配体，并根据配体-受体相互作用的强度对对接的构形进行评分；GOLD(Jones等(1997)，J.Mol.Biol.267727-748)，一种柔性配体对接的遗传算法，具有完全配体和部分蛋白质灵活性，其中能量功能部分基于构形和未结合接触信息；AFFINITY(购自Molecular Simulations Inc.，http://www.msn.com)，它用两步过程对接配体；首先，用Monte Carlo型程序检索构象和笛卡尔空间，产生受体内配体的初始位置；其次，模拟的退火期优化了各配体位置的定位，此时，AFFINITY维持受体刚性的“体积”(不在结合位点的原子)，而结合位点原子和配体原子是可移动的；C2 LigandFit(购自MolecularSimulations Inc.，http://www.msn.com)，它使用配体-受体复合物的能量自动寻找最佳结合模式，和随机构形检索技术，和保留构形采样的最佳结果。用栅格方法评估刚性受体和柔性配体原子之间的非键合相互作用。DOCKIT(购自Metaphorics LLC)用距离几何学快速对接柔性配体。GLIDE(购自Schrodinger Inc.)使用预先计算的能量栅格和柔性对接的有效的经删改的系统性检索。
优选对接算法用于高通量模式，其中对受体结构筛选可能配体的大结构文库成员(Martin(1992)J.Med.Chem.352145-54)。
合适的结构文库包括ACD(Available Chmical Directory，来自MDL Inc.)、AsInEx、Bionet、ComGenex、德温特世界药物索引(WDI)、Contact Service Company数据库、Labotest、ChemBridge Express pick、ChemStar、BioByteMasterFile、Orion、SALOR、TRIAD、ILIAD、国家癌症协会数据库(NCI)和Aldrich、Fluka、Sigman和Mabridge目录。它们购自(例如来自OxfordMolecuar的HTS化学集合，或来自Tripos的LeadQuestTM)。
定义药效团如上所述，可定义GSK3构建体的药效团，它包括表面可接近的特征、氢键供体和受体、带电/离子化基团，和/或疏水膜片等。可根据其在赋予活性中的相对重要性权衡这些特征(见例如Computer-Assisted Lead Finding andOptimization(Testra & Folkers，1997))。
可用CATALYST(包括HypoGen或HipHop，购自Molecular SimulationsInc.，http://www.msn.com)，CERIUS2，或手工从前导化合物的已知构形构建，确定药效团。可用药效团，利用CATALYST程序筛选结构文库。还可使用CLIX程序(David & Lawrence(1992)Proteins 1231-41)，它检索结构数据库中候选分子的朝向，该朝向与和受体相互作用的化学基团有最大的空间一致。DISCO程序(购自Tripos)用小集团检测法来鉴定各结构中的共同药效团特征，产生最佳排列的结构，并概括出药效团的关键特征。GASP程序(购自Tripos)用遗传算法自动寻找具有构形柔性的药效团。
从头化合物设计可用GSK3构建体的结合表面或药效团绘出官能团(例如质子、羟基、胺基团、酸性基团、疏水性基团和/或二价阳离子)或小分子片段的有利相互作用位点。然后可从头设计化合物，其中相关官能团位于与GSJ3相互作用的正确空间关系。
一旦鉴定出可与GSK3结合表面内的特定位点相互作用的官能团或小分子片段，可用正确的大小和几何形状，或将能在理想的朝向上支持官能团的框架将片段连接，它们可连接在单一化合物中，从而提供本发明的化合物。用这种方法连接官能团可手工进行，也可以借助软件，例如QUANTA或SYBYL，也可使用自动或半自动从头设计法。
合适的从头设计软件包括MCDLNG(Gehlhaar等(1995)J.Med.Chem.38466-72)，它用一般原子的密堆积阵列填充受体结合位点，用Monte Carlo程序随机改变原子类型、位置、键合重排和其它性质；MCCS/HOOK(Caflish等(1993)J.Med.Chem.362142-67；Eisen等(1994)ProteinsStr.Funct.Genet.19199-221；购自Molecular Simulations Inc.，http://www.msn.com)，它将多个官能团与来自数据库的分子模板连接；LUDI(Bohm(1992)J.Comp.Aided Molec.Design661-78，购自Molecular Simulations Inc.，http://www.msn.com)，它计算理想的被配体填充的相互作用点，将片段基于其与受体相互作用的能力置于结合性位点中，然后将它们连接，产生配体；GROW(Moon和Howe(1991)ProteinsStr.funct.Genet.11314-328)，它从最初的“种子”片段(手工或自动放置)开始，使配体向外生长；SPROUT(购自http://chem.leeds.ac.uk/ICAMS/SPROUT.html)，它包括鉴定有利的氢键合和结合袋(HIPPO模块)内疏水区域的分子，选择官能团，将它们放在目标位点，形成产生结构的起始片段(EleFanT)，通过使间隔片段在起始片段上生长，然后连接得到的部分骨架(SPIDeR)，产生满足结合袋的空间约束的骨架，在骨架中用杂原子取代，产生具有与受体位点互补的静电性质的分子(MARABOU)，可集合解决办法并用ALLigaTOR模块评分；LEAPFROG(购自Tripos Inc.，http://www.tripos.com)，它通过制造小的分步结构变化，和迅速评估新化合物的结合能量，评估配体，根据改变的结合能量保留或丢弃变化，并将结构改变成提高与受体相互作用能量；GROUPBUILD(Rorstein等(1993)，J.Med.Chem.361700)，它使用常规有机模板的文库和一种完整的经验力场描述，具有化学上合理的结构，并具有与受体结合位点互补的空间和静电性质之间的非键合的相互作用；CAVEAT(Lauri和Barlett(1994)，Comp.Aided.Mol.Design 851-66)，它设计连接单元，以限制无环的分子；和RASSE(Lai(1996)J.Chem.Inf.Comput.Sci.361187-1194)。
GSK3-β配体用高通量筛选鉴定引发基于结构的设计循环的大部分前导化合物。作为高通量筛选和上述配体方案和模拟筛选的结果，鉴定具有必需的构形能量的配体，以确保合适的形状并与蛋白质的活性位点结合。除了具有低构形能量和与脱辅蛋白质活性位点的空间相容性，鉴定的配体优选是可合成得到的。然后可获得鉴定的配体(例如购得或合成)，并筛选生物活性。还可将鉴定的配体与蛋白质构建体共结晶，确定蛋白质与结合的配体的三维结构。从蛋白质和结合的配体结构获得的信息然后可用于进一步开发上述的配体方案。
用于评估配体生物活性的合适的GSK3-β生物筛选方法是已知的，包括例如美国专利申请系列号60/193,043，2000/3/29日提交的，在此完整引入以供参考。
用GSK3晶体结构合理药物开发的方法在另一方面，本发明提供了一种用GSK3晶体结构，尤其是GSK3构建体活性位点的三维结构设计与GSK3-β结合，并介导其活性的配体的方法。
在一个实施例中，该方法是治疗性化合物设计的基于迭代结构的方法。用图3所示的流程图描述代表性方法。根据图3，脱辅蛋白质的晶体结构和具有结合配体的蛋白质在102和104步确定，在106步产生了配体方案。还可直接从脱辅蛋白质的晶体结构开发配体方案。用得到的方案，可设计和/或获得新配体，筛选生物活性，和/或与步骤108中的蛋白质共结晶，或者可在步骤110的模拟筛选中使用配体方案。如果从开发的方案中获得的配体是共结晶的，在104步确定共结晶的结构，用得到的结构信息进一步在步骤106中开发配体方案。如果配体方案用于步骤110的模拟筛选，模拟筛选是成功的，鉴定出一种或多种可获得的，经筛选，和/或在步骤108中共结晶的配体。如果模拟筛选在鉴定合适的配体中不成功，在步骤106中再开发配体方案。
可用配体方案产生的生物筛选配体中，鉴定出前导化合物。通过图4所示的流程图，描述鉴定前导化合物的代表性方法。根据图4，分别在步骤202和204中鉴定出脱辅蛋白质的晶体结构，确定具有结合的配体的蛋白质。从步骤202和204获得的结构信息，在步骤206中开发配体方案。还可直接从脱辅蛋白质晶体结构直接开发配体方案。从得到的方案中，可在步骤208中设计和/或获得新配体，并在步骤210中筛选生物活性，和/或与步骤212中的蛋白质共结晶。如果生物学筛选是成功的，在步骤214中鉴定出前导化合物。在随后的重复中，可在步骤212中共结晶前导化合物，并继续重复直到鉴定出新的候选药物。如果生物筛选不成功，可用信息在步骤206中进一步开发配体方案。如果配体是共结晶的，可在步骤204中确定共结晶结构，并在步骤206中确定用于进一步开发配体方案的结构信息。
另外，配体方案的结果可用于步骤216中的模拟筛选。如果模拟筛选是成功的，并鉴定出一个或多个配体，可在步骤208中获得配体，并在步骤210中筛选，以确定其生物活性，和是否鉴定出前导化合物。步骤208中获得的配体还可在步骤212中共结晶，其确定其结构和得到的信息用于进一步开发配体方案。如果虚拟筛选在鉴定合适配体中不成功，在步骤206中进一步开发配体方案。
GSK3配体及其用途本发明的方法鉴定出可以与GSK3相互作用的配体。这些化合物可从头设计，可以是已知的化合物，或可基于已知的化合物。化合物可以是有用的药物本身，或可以是用于进一步药物学精制的原型(即前导化合物)，以促进结合亲和力或其它药物学上重要的特征(例如生物可利用性、毒性、代谢、药物动力学)。
因此在另一个方面，本发明提供了(1)用本发明的方法鉴定的化合物；(2)用本发明的方法鉴定的用作药物的化合物；(3)用本发明的方法鉴定的，用于制造介导GSK3活性的药物的化合物的用途；和(4)一种治疗患有GSK3活性介导的病况的病人的方法，包括施用一定量的用本发明的方法鉴定的，对介导GSK3活性有效的化合物。
这些化合物优选与GSK3以μm，或更优选的nm范围或更强的结合约束相互作用。
除了分别是有用的化合物，由基于结构的设计技术鉴定的配体还可用来建议化合物的文库，用于传统的体外或体内筛选方法。可鉴定配体中重要的药物学基序并在化合物文库(例如组合文库)中模仿，以筛选GSK3结合活性。
结合下列代表性实施例可更好的理解本发明的上述和其它方面。
实施例实施例1GSK3-β构建体纯化在该实施例中，描述了GSK3-β蛋白构建体的纯化。从被携带GSK3-β580 cDNA构建体的杆状病毒感染的SF-9细胞中抽提构建体，用S-Fractogel、Phenyl-650M和Glu-标记亲和层析如下所述纯化至几乎均一。
抽提用100mL PBS(10mM NaPi，pH7.5，150mM NaCl)洗涤来自20L感染的SF-9细胞发酵物的细胞浆，然后用300ml缓冲液H(20mM Tris，pH7.5，1mM钨酸盐，1mM砷酸盐，50mM DTT，10μg/ml亮抑肽酶，1μg/ml抑胃酶肽A，10％甘油，0.35％糖苷辛酯，1mM Mg2+)重悬浮。在100ml Douncer(用B号杵击打20次)中匀浆细胞。在Ti45转子中40,000rpm离心合并匀浆35分钟，除去细胞碎片和核。小心滗出离心得到的上清液，滤过0.45微米滤膜。
S-Fractogel层析将175ml S-fractogel(EM Science，，目录号18882)装填入5cm×8.9cm柱，用5柱体积的缓冲液A(20mM Tris，Ph7.5，10％甘油)平衡。在装入滤过的上清液前，使1柱体积的含有50mM DTT的缓冲液A通过平衡柱。然后以20mL/分钟将上一步骤的滤液加到柱上。用3柱体积的含有50mM DTT的缓冲液A和2柱体积的缓冲液A洗涤柱，然后用含有0-1M NaCl的缓冲液A的线性梯度经20柱体积洗脱。洗脱液分成20ml一份。通过Western印迹法，用抗GSK抗体(Santa Cruz Biotech，目录号SC-7291)检测含有GSK3的组分。合并蛋白质印迹阳性组分，并与等体积的缓冲液M(20mM Tris，pH7.5，10％甘油，3.1M NaCl)混合，滤过0.45微米滤膜。滤液用于Phenyl-650M层析。
Phenyl-650M层析将37.5ml Phenyl-650M(Tosohass，目录号014943)装填入2.2×10cm柱，并用5柱体积的缓冲液C(20mM Tris，pH7.5，10％甘油，1.6M NaCl)平衡。将来自S-Fractogel步骤的滤液以7.5ml/分钟上柱。在加样完成后，用5柱体积的缓冲液C洗涤，并用0-100％缓冲液A(20mM Tris，Ph7.5，10％甘油)的线性梯度经20柱体积洗脱。收集15ml组分，用抗GSK抗体通过蛋白质印迹检测含GSK的组分。合并蛋白质印迹分析阳性组分，并装到Glu-标记抗体亲和柱上。
Glu-标记亲和层析将50mg Glu-标记抗体固定在28ml的Affi-Gel 10(BioRAD目录号153-6046)上，填充入2.2×6.5cm柱。用5柱体积的缓冲液D(20mM Tris，pH7.5，20％甘油，0.3M NaCl，0.2％糖苷辛酯)平衡柱，并将来自Phenyl-650M步骤的组分合并物以2.8ml/分钟上样。加完样后，用5柱体积缓冲液D洗涤柱，并用100ml Glu-标记的肽(100微克/毫升)的缓冲液D溶液洗脱，并分成4ml组分。用SDS-PAGE和考马斯蓝染色检测含GSK的组分。合并这些组分，在Amicon浓缩机中用10k MWC0 YM10膜浓缩并透析入缓冲液D变为约4.8mg/ml。然后使浓缩的物质结晶。
实施例2GSK3-β构建体的结晶化在该实施例中，描述了GSK3-β蛋白质构建体的结晶化。结晶方案使用4.8mg/ml浓度的GSK3-β和含有1X TBS缓冲液、0.3M NaCl、20％甘油、0.2％吡喃糖苷辛酯、5mM DTT的溶液。用悬滴法通过蒸汽弥散使结晶生长。简单说，在24孔linbro培养板的每个孔中装入0.5ml含有10％聚乙二醇6000(PEG6000)、5％2-甲基-2，4-戊二醇(MPD)、0.1M HEPES，pH7.5的溶液。然后将3微升蛋白质溶液与3微升孔中的溶液在盖玻片上混合成1滴。然后将盖玻片反转置于孔上。然后将板储藏在4℃。3-30天内在50-90％的孔中出现结晶。
代表性GSK3结晶是高度多形性的，在空间基团和晶胞大小上都有差异，通常在化合物浸泡过程中和响应条件的细微改变上显示空间基团迁移。在GSK3晶体中已鉴别三种空间基团，如下。所有空间基团中的空间基团大小，和空间基团C2中的β角在各晶体之间常常变化达10％。空间基团和大小如下。C222(1)是最普遍的空间基团，接着是C2，然后是P222(1)。C2仅在化合物浸入结晶时才见到。
C222(1)a＝89.874 b＝102.514 c＝108.194 α＝90 β＝90 γ＝90C2a＝102.366 b＝89.598 c＝110.438 α＝90 β＝96.983 γ＝90P222(1)a＝86.328 b＝103.061 c＝102.846 α＝90 β＝90 γ＝90将晶体在含有12％PEG6000、11％MPD、0.1M HEPES pH7.5、20％甘油组成的低温溶液中进行低温保护，用于收集数据。低温溶液可含有约10-14％重量的聚乙二醇(PEG6000)，约9-13％重量的2-甲基-2，4-戊二醇(MPD)和约18-22％重量的甘油。低温溶液可具有约7.3-7.7的pH。
实施例3GSK3-β构建体晶体结构分辨在该实施例中，描述了分辨GSK3-β蛋白质构建体晶体结构的代表性方法。
用分子置换和交叉结晶平均计算法的组合分辨GSK3β的晶体结构。用GSK3β的同源性模型(含有残基53-352)和程序EPMR[CR Kissinger，DK Gehlhaar和DBFogel.演化检索的快速自动化分子置换Acta Crystallogr D Biol Crystallogr.1999Feb；55(第2部分)484-91]获得C222(1)结晶形式的分子置换溶液。用CDK2(PDB登录号1JST)的磷酸化形式作为模板构建同源性模型。该原始分子置换溶液得到R-因子为53.9％的模型。然后该模型经过数轮精炼大循环。典型的精炼大循环由100-200轮共轭梯度最小化，用扭力和笛卡尔动力学模拟退火并分组或单独计算温度因子组成。用程序CNX(Molecular Simulation，Inc.)执行所有精炼程序。然后计算新电子密度图，并根据这些图中的特征，用程序O(DATAONO AB)手工重建模型。使用来自数据C222(1)的30_-2.8_的所有数据。尽管许多的精炼大循环，仍然不可能将该模型改进成优于35％的R-因子(自由R因子是0.41)。这种对于错误结构的偏差是优于缺乏高分辨率数据和精炼中参数对于可测定数据比例小造成的。
为了避免该偏差，用交叉结晶平均计算法改进最初分子置换溶液提供的相。在交叉结晶平均计算法中，从非常不同的晶胞大小和/或空间基团的结晶获得了一种结构的两种或多种单独的“图”。这些图的电子密度然后取平均值，提供更准确的电子密度的傅里叶重建的相，和各分离的晶体内实际的电子密度的改进图。对于交叉结晶平均计算法，使用C222(1)结晶数据组和C2结晶数据组(将GSK3β晶体浸在1-3mM化合物1(下文所示)中获得)。用部分精炼的GSK3β模型获得两种分子置换解决方法用于C2结晶形式；这些解决方法代表了C2晶胞不对称单位中的两种GSK3β分子。然后计算C222(1)晶型中的分子和C2晶型中的分子之间的真实空间转化。然后，10个结构集合的相和质量因数通过C222(1)晶型的精炼大循环，用程序DMMULTI[K.Cowtan.Joint CCP4和ESF-EACBM，Newsletter on ProteinCrystallography 1994；31，pp 34-38]对C2晶型数据取平均值，所有数据为2.7_。进行100轮平均，溶剂展平，和直方图匹配。然后，计算改进的电子密度图并重建模型，然后再进行精炼大循环，然后再进行一轮交叉结晶平均化。总共进行5轮平均化/精炼循环。在2-5轮，在C222(1)模型中发现主要错误并纠正，建立了大分子(残基37-384)的剩余部分。用来自30-2.7_的数据，最终C222(1)晶体结构由生物学上相关的分子、79份水和一个推定的氯离子组成，具有22.46％的R因子和28.22％的游离R因子。
化合物1
精炼C222(1)晶体结构完成后，用得到的模型和分子置换来确定两种浸渍化合物C2结晶和P222(1)结晶中分子的位置和结构。目前最佳的GSK3β结构来自用衍射到2.2_的化合物2(下文所述)浸渍的过程中，得到P222(1)晶型。用来自30-2.2_的数据，该结构由两个拷贝的生物学上相关的不对称单元的大分子，336份水，6份甘油组成；该结构具有26.2％的R因子和30.8％的游离R因子。化合物2在观察到的活性位点中未达到足够高的占有率。
化合物2 该方法用于测定结构，因为此时可得到的数据收集方法性能有限。也可同样的使用更多的常规方法，例如单/多重同形置换或MAD定相本身，或联合分子置换。这些方法和其它晶体学原理的描述可在B.K.Shoichet和D.E.Bussiere，药物开发中大分子晶体学和结构的作用进展和告诫，Current Opinion in Drug Discovery& Development 2000；3(4)408-422中找到。
虽然说明和描述了本发明的优选例，应理解可制备各种改变，而不违背本发明的精神和范围。
权利要求
1.一种提供GSK3蛋白质的原子模型的方法，其特征在于，该方法包括(a)提供一种计算机可读介质，其上储存有晶形GSK3蛋白的原子坐标/X光衍射数据，该数据足够对GSK3蛋白质的三维结构进行建模；(b)分析来自(a)的原子坐标/X光衍射数据，提供限定GSK3蛋白质的原子模型的数据输出；和(c)获得限定GSK3蛋白质的三维结构的原子模型输出数据。
2.一种计算机可读介质，其特征在于，在该介质上储存有权利要求1所述的方法产生的GSK3蛋白质的原子模型数据。
3.一种GSK3-β配体，其特征在于，该配体对应于权利要求1所述的方法产生的配体模型的原子模型的物理模型。
4.一种设计与GSK3蛋白质结合的配体的方法，其特征在于，该方法包括使用表2所述的GSK3构建体的一些或所有原子坐标。
5.一种设计与GSK3蛋白质结合的配体的方法，其特征在于，该方法包括(a)提供纯化的GSK3蛋白质；(b)使纯化的GSK3蛋白质结晶，得到具有生物活性的结晶的GSK3蛋白质；(c)用X光晶体学分辨结晶的GSK3蛋白质的结构，获得适合GSK3蛋白质三维结构确定的数据；(d)将分辨结晶的GSK3蛋白质的结构产生的数据用于计算机算法，以产生适用于设计与GSK3蛋白质活性位点结合的配体的GSK3蛋白质模型；和(e)使用迭代过程，从而将分子结构应用于对计算机产生的模型，以鉴定GSK3结合配体。
6.如权利要求5所述的方法，其特征在于，所述蛋白质具有表2列出的原子坐标。
7.如权利要求5所述的方法，其特征在于，所述蛋白具有SEQ ID NO1列出的氨基酸序列或其活性突变体或变体。
8.一种GSK结合配体，其特征在于，该配体是用权利要求4-7任一所述的方法设计的。
9.一种鉴定GSK3介导物的方法，该方法是通过测定可能的介导物与GSK3结合位点之间的结合相互作用，结合位点由表2中列出的至少一些原子坐标决定，其特征在于，该方法包括(a)在计算机屏幕上产生由结合位点确定的结合腔；(b)产生具有空间结构的化合物；和(c)确定化合物是否结合在GSK3结合位点。
10.一种鉴定介导GSK3活性的化合物的方法，其特征在于，该方法包括(a)根据表2中列出的至少一些原子结构坐标，设计在GSK3结合位点中会与氨基酸形成非共价键的可能介导物；(b)获得可能的介导物；和(c)确定可能的介导物是否介导GSK3的活性。
11.一种鉴定介导GSK3活性的化合物，其特征在于，该方法包括(a)用表2列出的原子坐标限定的GSK3三维结构设计或选择可能的介导物；(b)获得可能的介导物；和(c)将可能的介导物与GSK3接触，以确定可能的介导物是否介导GSK3活性。
12.一种用于产生分子或分子复合物的立体表象的计算机，所述分子或分子复合物是表2提供的GSK3的至少一些原子坐标确定的结合袋，或分子或分子复合物的同系物的三维图像，其特征在于，该计算机包括(a)机器可读的数据存储介质，含有机器可读数据编码的数据储存材料，其中所述数据含有表2列出的原子坐标。(b)用于储存处理所述机器可读数据的存储指令的工作存储器；(c)与所述工作存储器和所述机器可读储存介质联合的中央处理单元，用于将所述机器可读数据处理成所述三维图像；和(d)与所述中央处理单元连接的显示器，用于显示所述三维图像。
13.一种用于确定对应于分子或分子复合物的X光衍射图案至少一部分原子坐标的计算机，其特征在于，该计算机包括(a)机器可读的数据存储介质，含有机器可读数据编码的数据储存材料，其中所述数据含有表2列出的至少一部分原子坐标；(b)机器可读的数据存储介质，含有机器可读数据编码的数据储存材料，其中所述数据含有所述分子或分子复合物的X光衍射图案；(c)用于储存处理(a)和(b)的所述机器可读数据的存储指令的工作存储器；(d)与所述工作存储器和所述(a)和(b)的机器可读数据储存介质联合的中央处理单元，用于进行(a)的机器可读数据的傅里叶变换和用于将(b)的所述计算机可读数据加工成结构坐标；和(e)与所述中央处理单元连接的显示器，用于显示所述分子或分子复合物的所述结构坐标。
14.一种使人糖原合成酶激酶3(GSK3)蛋白质结晶的方法，其特征在于，该方法包括(a)提供纯化的GSK3蛋白质；和(b)使纯化的GSK3蛋白质结晶，得到具有生物活性的结晶的GSK3蛋白质，其中蛋白质是从含有约10-14％重量的聚乙二醇，约9-13％重量的2-甲基-2，4-戊二醇，约18-22％重量甘油中结晶出的，其中结晶的GSK3蛋白质用X光衍射可以分辨，获得适合测定GSK3蛋白质的三维结构的X光图式。
15.如权利要求14所述的方法，其特征在于，通过悬滴蒸汽弥散法结晶GSK3蛋白质。
16.如权利要求14所述的方法，其特征在于，所述蛋白质含有表2列出的原子坐标。
17.如权利要求14所述的方法，其特征在于，所述蛋白质含有SEQ ID NO1中列出的氨基酸序列或其活性突变体或变体。
18.一种结晶的GSK3蛋白质，其特征在于，所述蛋白质是通过权利要求14的方法制备的。
全文摘要
本发明提供了含有蛋白质的催化性激酶结构域的人糖原合成酶激酶3(GSK3)构建体的三维结构；人糖原合成酶激酶3－β(GSK3－β)的结晶；使蛋白质构建体结晶的结构域，得到足以测定结构的GSK3结晶；和一种方法，用GSK3构建体的单位结构鉴定治疗各种GSK3活性介导的病况中可能的治疗性化合物。
文档编号G01N33/68GK1748026SQ01815782
公开日2006年3月15日 申请日期2001年9月19日 优先权日2000年9月19日
发明者D·E·比西埃, 何敏, V·P·列, J·M·詹森, S·M·钦, E·马丁 申请人:希龙公司