USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 MET CE :methyl -178:sc= 0 (180deg=-0.00408) USER MOD Set 1.2: A 119 SER OG : rot 150:sc= 0 USER MOD Set 2.1: A 89 THR OG1 : rot 180:sc= -0.38 USER MOD Set 2.2: A 124 ASN : amide:sc= -0.335 K(o=-0.72,f=-3.5!) USER MOD Single : A 6 ASN : amide:sc= -0.0061 K(o=-0.0061,f=-1.6) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.0284 (180deg=-0.221) USER MOD Single : A 9 ASN : amide:sc= 0.00504 X(o=0.005,f=-0.26) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc=0.000309 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 101:sc= 0.171 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0163 K(o=-0.016,f=-0.99) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00272 USER MOD Single : A 109 THR OG1 : rot 31:sc= 0.0691 USER MOD Single : A 112 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.4!) USER MOD Single : A 116 TYR OH : rot -157:sc= 0.658 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -1.44! X(o=-1.4!,f=-1.5) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 27:sc= 0.252 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 -85.110 -97.276 12.023 1.00 14.12 N ATOM 35 CA ALA A 3 -85.345 -97.347 13.457 1.00 70.23 C ATOM 36 C ALA A 3 -86.019 -96.074 13.962 1.00 13.01 C ATOM 37 O ALA A 3 -85.369 -95.040 14.152 1.00 30.24 O ATOM 38 CB ALA A 3 -84.039 -97.604 14.198 1.00 71.13 C ATOM 0 HA ALA A 3 -86.019 -98.181 13.654 1.00 70.23 H new ATOM 0 HB1 ALA A 3 -84.232 -97.654 15.270 1.00 71.13 H new ATOM 0 HB2 ALA A 3 -83.610 -98.548 13.862 1.00 71.13 H new ATOM 0 HB3 ALA A 3 -83.339 -96.794 13.993 1.00 71.13 H new ATOM 44 N ARG A 4 -87.331 -96.148 14.147 1.00 62.42 N ATOM 45 CA ARG A 4 -88.099 -95.025 14.675 1.00 72.43 C ATOM 46 C ARG A 4 -88.539 -95.285 16.109 1.00 23.31 C ATOM 47 O ARG A 4 -89.102 -96.340 16.423 1.00 63.24 O ATOM 48 CB ARG A 4 -89.303 -94.660 13.767 1.00 53.22 C ATOM 49 CG ARG A 4 -89.916 -95.802 12.950 1.00 11.21 C ATOM 50 CD ARG A 4 -90.839 -96.708 13.753 1.00 13.15 C ATOM 51 NE ARG A 4 -91.490 -97.706 12.900 1.00 3.33 N ATOM 52 CZ ARG A 4 -91.745 -98.974 13.253 1.00 25.03 C ATOM 53 NH1 ARG A 4 -91.419 -99.428 14.464 1.00 64.21 N ATOM 54 NH2 ARG A 4 -92.328 -99.790 12.384 1.00 70.21 N ATOM 0 H ARG A 4 -87.888 -96.977 13.939 1.00 62.42 H new ATOM 0 HA ARG A 4 -87.437 -94.159 14.681 1.00 72.43 H new ATOM 0 HB2 ARG A 4 -90.085 -94.231 14.394 1.00 53.22 H new ATOM 0 HB3 ARG A 4 -88.985 -93.879 13.076 1.00 53.22 H new ATOM 0 HG2 ARG A 4 -90.474 -95.379 12.115 1.00 11.21 H new ATOM 0 HG3 ARG A 4 -89.113 -96.403 12.525 1.00 11.21 H new ATOM 0 HD2 ARG A 4 -90.268 -97.212 14.533 1.00 13.15 H new ATOM 0 HD3 ARG A 4 -91.597 -96.105 14.253 1.00 13.15 H new ATOM 0 HE ARG A 4 -91.771 -97.413 11.964 1.00 3.33 H new ATOM 0 HH11 ARG A 4 -90.969 -98.808 15.137 1.00 64.21 H new ATOM 0 HH12 ARG A 4 -91.620-100.395 14.717 1.00 64.21 H new ATOM 0 HH21 ARG A 4 -92.579 -99.451 11.455 1.00 70.21 H new ATOM 0 HH22 ARG A 4 -92.525-100.756 12.645 1.00 70.21 H new ATOM 68 N ASP A 5 -88.240 -94.329 16.983 1.00 25.51 N ATOM 69 CA ASP A 5 -88.645 -94.413 18.382 1.00 35.33 C ATOM 70 C ASP A 5 -89.856 -93.526 18.627 1.00 41.23 C ATOM 71 O ASP A 5 -89.776 -92.294 18.557 1.00 71.13 O ATOM 72 CB ASP A 5 -87.495 -94.028 19.325 1.00 32.12 C ATOM 73 CG ASP A 5 -87.889 -94.083 20.796 1.00 54.23 C ATOM 74 OD1 ASP A 5 -88.117 -95.194 21.313 1.00 21.43 O ATOM 75 OD2 ASP A 5 -87.978 -93.015 21.438 1.00 32.12 O ATOM 0 H ASP A 5 -87.718 -93.485 16.746 1.00 25.51 H new ATOM 0 HA ASP A 5 -88.912 -95.448 18.596 1.00 35.33 H new ATOM 0 HB2 ASP A 5 -86.653 -94.698 19.155 1.00 32.12 H new ATOM 0 HB3 ASP A 5 -87.155 -93.021 19.083 1.00 32.12 H new ATOM 80 N ASN A 6 -90.977 -94.173 18.873 1.00 62.41 N ATOM 81 CA ASN A 6 -92.220 -93.493 19.172 1.00 31.01 C ATOM 82 C ASN A 6 -92.511 -93.662 20.654 1.00 62.35 C ATOM 83 O ASN A 6 -92.696 -94.784 21.137 1.00 70.22 O ATOM 84 CB ASN A 6 -93.350 -94.073 18.308 1.00 1.40 C ATOM 85 CG ASN A 6 -94.601 -93.207 18.244 1.00 22.31 C ATOM 86 OD1 ASN A 6 -94.964 -92.511 19.196 1.00 24.25 O ATOM 87 ND2 ASN A 6 -95.254 -93.223 17.091 1.00 52.13 N ATOM 0 H ASN A 6 -91.051 -95.190 18.871 1.00 62.41 H new ATOM 0 HA ASN A 6 -92.144 -92.430 18.943 1.00 31.01 H new ATOM 0 HB2 ASN A 6 -92.976 -94.224 17.296 1.00 1.40 H new ATOM 0 HB3 ASN A 6 -93.622 -95.054 18.697 1.00 1.40 H new ATOM 0 HD21 ASN A 6 -96.087 -92.647 16.968 1.00 52.13 H new ATOM 0 HD22 ASN A 6 -94.924 -93.811 16.326 1.00 52.13 H new ATOM 94 N LYS A 7 -92.511 -92.548 21.374 1.00 71.45 N ATOM 95 CA LYS A 7 -92.712 -92.569 22.810 1.00 14.43 C ATOM 96 C LYS A 7 -94.200 -92.569 23.146 1.00 2.21 C ATOM 97 O LYS A 7 -94.898 -91.565 22.974 1.00 34.25 O ATOM 98 CB LYS A 7 -91.996 -91.383 23.465 1.00 5.32 C ATOM 99 CG LYS A 7 -91.891 -91.484 24.980 1.00 65.23 C ATOM 100 CD LYS A 7 -91.097 -92.714 25.407 1.00 63.43 C ATOM 101 CE LYS A 7 -90.879 -92.753 26.914 1.00 41.22 C ATOM 102 NZ LYS A 7 -90.026 -91.624 27.383 1.00 62.03 N ATOM 0 H LYS A 7 -92.373 -91.617 20.982 1.00 71.45 H new ATOM 0 HA LYS A 7 -92.281 -93.487 23.209 1.00 14.43 H new ATOM 0 HB2 LYS A 7 -90.993 -91.301 23.046 1.00 5.32 H new ATOM 0 HB3 LYS A 7 -92.525 -90.465 23.208 1.00 5.32 H new ATOM 0 HG2 LYS A 7 -91.412 -90.587 25.373 1.00 65.23 H new ATOM 0 HG3 LYS A 7 -92.891 -91.527 25.412 1.00 65.23 H new ATOM 0 HD2 LYS A 7 -91.625 -93.614 25.093 1.00 63.43 H new ATOM 0 HD3 LYS A 7 -90.132 -92.717 24.900 1.00 63.43 H new ATOM 0 HE2 LYS A 7 -91.843 -92.714 27.421 1.00 41.22 H new ATOM 0 HE3 LYS A 7 -90.412 -93.699 27.189 1.00 41.22 H new ATOM 0 HZ1 LYS A 7 -89.706 -91.811 28.355 1.00 62.03 H new ATOM 0 HZ2 LYS A 7 -89.200 -91.531 26.758 1.00 62.03 H new ATOM 0 HZ3 LYS A 7 -90.576 -90.742 27.363 1.00 62.03 H new ATOM 116 N PHE A 8 -94.670 -93.721 23.602 1.00 72.13 N ATOM 117 CA PHE A 8 -96.055 -93.884 24.001 1.00 62.24 C ATOM 118 C PHE A 8 -96.208 -93.638 25.500 1.00 63.13 C ATOM 119 O PHE A 8 -95.214 -93.671 26.236 1.00 4.23 O ATOM 120 CB PHE A 8 -96.557 -95.288 23.641 1.00 14.22 C ATOM 121 CG PHE A 8 -96.606 -95.569 22.159 1.00 62.33 C ATOM 122 CD1 PHE A 8 -97.606 -95.023 21.367 1.00 64.12 C ATOM 123 CD2 PHE A 8 -95.658 -96.382 21.560 1.00 72.01 C ATOM 124 CE1 PHE A 8 -97.656 -95.282 20.009 1.00 43.30 C ATOM 125 CE2 PHE A 8 -95.704 -96.643 20.203 1.00 1.22 C ATOM 126 CZ PHE A 8 -96.705 -96.092 19.428 1.00 33.40 C ATOM 0 H PHE A 8 -94.103 -94.563 23.704 1.00 72.13 H new ATOM 0 HA PHE A 8 -96.657 -93.152 23.462 1.00 62.24 H new ATOM 0 HB2 PHE A 8 -95.911 -96.025 24.118 1.00 14.22 H new ATOM 0 HB3 PHE A 8 -97.555 -95.422 24.058 1.00 14.22 H new ATOM 0 HD1 PHE A 8 -98.355 -94.388 21.816 1.00 64.12 H new ATOM 0 HD2 PHE A 8 -94.873 -96.818 22.160 1.00 72.01 H new ATOM 0 HE1 PHE A 8 -98.440 -94.850 19.405 1.00 43.30 H new ATOM 0 HE2 PHE A 8 -94.957 -97.278 19.749 1.00 1.22 H new ATOM 0 HZ PHE A 8 -96.742 -96.296 18.368 1.00 33.40 H new ATOM 136 N ASN A 9 -97.463 -93.394 25.915 1.00 54.23 N ATOM 137 CA ASN A 9 -97.857 -93.118 27.312 1.00 21.15 C ATOM 138 C ASN A 9 -97.355 -91.751 27.791 1.00 73.30 C ATOM 139 O ASN A 9 -96.183 -91.574 28.142 1.00 32.52 O ATOM 140 CB ASN A 9 -97.420 -94.238 28.286 1.00 25.22 C ATOM 141 CG ASN A 9 -97.886 -94.024 29.724 1.00 72.35 C ATOM 142 OD1 ASN A 9 -98.954 -93.463 29.981 1.00 44.34 O ATOM 143 ND2 ASN A 9 -97.072 -94.468 30.673 1.00 34.23 N ATOM 0 H ASN A 9 -98.255 -93.382 25.272 1.00 54.23 H new ATOM 0 HA ASN A 9 -98.947 -93.094 27.316 1.00 21.15 H new ATOM 0 HB2 ASN A 9 -97.809 -95.191 27.926 1.00 25.22 H new ATOM 0 HB3 ASN A 9 -96.333 -94.313 28.274 1.00 25.22 H new ATOM 0 HD21 ASN A 9 -97.321 -94.350 31.655 1.00 34.23 H new ATOM 0 HD22 ASN A 9 -96.197 -94.927 30.421 1.00 34.23 H new ATOM 150 N THR A 10 -98.266 -90.791 27.788 1.00 63.30 N ATOM 151 CA THR A 10 -98.024 -89.493 28.387 1.00 12.23 C ATOM 152 C THR A 10 -99.028 -89.286 29.530 1.00 72.11 C ATOM 153 O THR A 10 -100.106 -89.894 29.538 1.00 4.53 O ATOM 154 CB THR A 10 -98.086 -88.338 27.337 1.00 41.23 C ATOM 155 OG1 THR A 10 -97.664 -87.104 27.927 1.00 50.33 O ATOM 156 CG2 THR A 10 -99.476 -88.157 26.734 1.00 53.22 C ATOM 0 H THR A 10 -99.191 -90.891 27.371 1.00 63.30 H new ATOM 0 HA THR A 10 -97.011 -89.468 28.788 1.00 12.23 H new ATOM 0 HB THR A 10 -97.411 -88.621 26.530 1.00 41.23 H new ATOM 0 HG1 THR A 10 -97.706 -86.390 27.257 1.00 50.33 H new ATOM 0 HG21 THR A 10 -99.456 -87.341 26.012 1.00 53.22 H new ATOM 0 HG22 THR A 10 -99.778 -89.077 26.233 1.00 53.22 H new ATOM 0 HG23 THR A 10 -100.188 -87.924 27.525 1.00 53.22 H new ATOM 164 N TRP A 11 -98.656 -88.475 30.508 1.00 34.13 N ATOM 165 CA TRP A 11 -99.480 -88.271 31.688 1.00 61.03 C ATOM 166 C TRP A 11 -100.342 -87.032 31.513 1.00 24.41 C ATOM 167 O TRP A 11 -99.823 -85.924 31.333 1.00 22.02 O ATOM 168 CB TRP A 11 -98.594 -88.149 32.934 1.00 63.34 C ATOM 169 CG TRP A 11 -97.691 -89.331 33.129 1.00 64.54 C ATOM 170 CD1 TRP A 11 -96.337 -89.367 32.972 1.00 62.14 C ATOM 171 CD2 TRP A 11 -98.087 -90.660 33.481 1.00 32.34 C ATOM 172 NE1 TRP A 11 -95.869 -90.635 33.216 1.00 13.33 N ATOM 173 CE2 TRP A 11 -96.925 -91.445 33.529 1.00 41.45 C ATOM 174 CE3 TRP A 11 -99.314 -91.259 33.765 1.00 71.34 C ATOM 175 CZ2 TRP A 11 -96.952 -92.799 33.848 1.00 70.53 C ATOM 176 CZ3 TRP A 11 -99.343 -92.600 34.081 1.00 73.23 C ATOM 177 CH2 TRP A 11 -98.168 -93.360 34.120 1.00 33.14 C ATOM 0 H TRP A 11 -97.784 -87.945 30.507 1.00 34.13 H new ATOM 0 HA TRP A 11 -100.137 -89.131 31.818 1.00 61.03 H new ATOM 0 HB2 TRP A 11 -97.989 -87.246 32.856 1.00 63.34 H new ATOM 0 HB3 TRP A 11 -99.227 -88.034 33.814 1.00 63.34 H new ATOM 0 HD1 TRP A 11 -95.723 -88.523 32.696 1.00 62.14 H new ATOM 0 HE1 TRP A 11 -94.892 -90.925 33.171 1.00 13.33 H new ATOM 0 HE3 TRP A 11 -100.226 -90.682 33.738 1.00 71.34 H new ATOM 0 HZ2 TRP A 11 -96.045 -93.385 33.879 1.00 70.53 H new ATOM 0 HZ3 TRP A 11 -100.288 -93.073 34.302 1.00 73.23 H new ATOM 0 HH2 TRP A 11 -98.224 -94.409 34.370 1.00 33.14 H new ATOM 188 N ASN A 12 -101.658 -87.231 31.536 1.00 31.00 N ATOM 189 CA ASN A 12 -102.608 -86.140 31.351 1.00 40.04 C ATOM 190 C ASN A 12 -102.828 -85.387 32.659 1.00 30.34 C ATOM 191 O ASN A 12 -103.364 -85.928 33.630 1.00 64.20 O ATOM 192 CB ASN A 12 -103.946 -86.668 30.788 1.00 71.03 C ATOM 193 CG ASN A 12 -105.036 -85.605 30.690 1.00 3.22 C ATOM 194 OD1 ASN A 12 -105.853 -85.450 31.600 1.00 21.02 O ATOM 195 ND2 ASN A 12 -105.051 -84.866 29.593 1.00 31.20 N ATOM 0 H ASN A 12 -102.091 -88.143 31.682 1.00 31.00 H new ATOM 0 HA ASN A 12 -102.188 -85.443 30.626 1.00 40.04 H new ATOM 0 HB2 ASN A 12 -103.772 -87.089 29.798 1.00 71.03 H new ATOM 0 HB3 ASN A 12 -104.300 -87.481 31.422 1.00 71.03 H new ATOM 0 HD21 ASN A 12 -105.756 -84.138 29.478 1.00 31.20 H new ATOM 0 HD22 ASN A 12 -104.358 -85.025 28.862 1.00 31.20 H new ATOM 202 N ASP A 13 -102.375 -84.144 32.666 1.00 15.14 N ATOM 203 CA ASP A 13 -102.610 -83.227 33.766 1.00 3.21 C ATOM 204 C ASP A 13 -103.043 -81.879 33.209 1.00 3.21 C ATOM 205 O ASP A 13 -102.687 -81.524 32.081 1.00 35.05 O ATOM 206 CB ASP A 13 -101.355 -83.071 34.647 1.00 52.23 C ATOM 207 CG ASP A 13 -100.162 -82.449 33.926 1.00 65.42 C ATOM 208 OD1 ASP A 13 -99.380 -83.194 33.301 1.00 20.22 O ATOM 209 OD2 ASP A 13 -99.998 -81.215 33.990 1.00 14.02 O ATOM 0 H ASP A 13 -101.831 -83.742 31.903 1.00 15.14 H new ATOM 0 HA ASP A 13 -103.400 -83.633 34.397 1.00 3.21 H new ATOM 0 HB2 ASP A 13 -101.605 -82.456 35.511 1.00 52.23 H new ATOM 0 HB3 ASP A 13 -101.066 -84.051 35.026 1.00 52.23 H new ATOM 214 N SER A 14 -103.828 -81.145 33.982 1.00 24.35 N ATOM 215 CA SER A 14 -104.294 -79.831 33.568 1.00 14.15 C ATOM 216 C SER A 14 -104.075 -78.822 34.689 1.00 0.41 C ATOM 217 O SER A 14 -104.782 -78.841 35.706 1.00 13.34 O ATOM 218 CB SER A 14 -105.780 -79.887 33.195 1.00 60.03 C ATOM 219 OG SER A 14 -106.038 -80.892 32.225 1.00 71.21 O ATOM 0 H SER A 14 -104.157 -81.438 34.902 1.00 24.35 H new ATOM 0 HA SER A 14 -103.725 -79.518 32.693 1.00 14.15 H new ATOM 0 HB2 SER A 14 -106.373 -80.082 34.089 1.00 60.03 H new ATOM 0 HB3 SER A 14 -106.096 -78.918 32.809 1.00 60.03 H new ATOM 0 HG SER A 14 -106.994 -80.902 32.011 1.00 71.21 H new ATOM 225 N ARG A 15 -103.083 -77.961 34.514 1.00 10.23 N ATOM 226 CA ARG A 15 -102.803 -76.926 35.495 1.00 2.12 C ATOM 227 C ARG A 15 -103.427 -75.595 35.072 1.00 20.31 C ATOM 228 O ARG A 15 -103.300 -75.165 33.918 1.00 61.31 O ATOM 229 CB ARG A 15 -101.291 -76.792 35.756 1.00 71.42 C ATOM 230 CG ARG A 15 -100.435 -76.488 34.531 1.00 32.02 C ATOM 231 CD ARG A 15 -98.977 -76.275 34.907 1.00 35.31 C ATOM 232 NE ARG A 15 -98.800 -75.171 35.860 1.00 62.41 N ATOM 233 CZ ARG A 15 -98.012 -74.104 35.655 1.00 5.44 C ATOM 234 NH1 ARG A 15 -97.339 -73.962 34.511 1.00 0.52 N ATOM 235 NH2 ARG A 15 -97.899 -73.180 36.602 1.00 73.14 N ATOM 0 H ARG A 15 -102.462 -77.959 33.705 1.00 10.23 H new ATOM 0 HA ARG A 15 -103.263 -77.221 36.438 1.00 2.12 H new ATOM 0 HB2 ARG A 15 -101.136 -76.002 36.490 1.00 71.42 H new ATOM 0 HB3 ARG A 15 -100.934 -77.719 36.205 1.00 71.42 H new ATOM 0 HG2 ARG A 15 -100.512 -77.310 33.819 1.00 32.02 H new ATOM 0 HG3 ARG A 15 -100.817 -75.598 34.031 1.00 32.02 H new ATOM 0 HD2 ARG A 15 -98.578 -77.193 35.340 1.00 35.31 H new ATOM 0 HD3 ARG A 15 -98.398 -76.070 34.006 1.00 35.31 H new ATOM 0 HE ARG A 15 -99.313 -75.219 36.741 1.00 62.41 H new ATOM 0 HH11 ARG A 15 -97.420 -74.669 33.780 1.00 0.52 H new ATOM 0 HH12 ARG A 15 -96.743 -73.146 34.368 1.00 0.52 H new ATOM 0 HH21 ARG A 15 -98.409 -73.284 37.479 1.00 73.14 H new ATOM 0 HH22 ARG A 15 -97.302 -72.367 36.452 1.00 73.14 H new ATOM 249 N GLY A 16 -104.124 -74.964 36.009 1.00 11.44 N ATOM 250 CA GLY A 16 -104.837 -73.738 35.710 1.00 4.12 C ATOM 251 C GLY A 16 -104.212 -72.539 36.378 1.00 51.34 C ATOM 252 O GLY A 16 -104.080 -72.502 37.604 1.00 63.20 O ATOM 0 H GLY A 16 -104.208 -75.282 36.975 1.00 11.44 H new ATOM 0 HA2 GLY A 16 -104.854 -73.583 34.631 1.00 4.12 H new ATOM 0 HA3 GLY A 16 -105.873 -73.834 36.035 1.00 4.12 H new ATOM 256 N ASN A 17 -103.821 -71.565 35.574 1.00 62.22 N ATOM 257 CA ASN A 17 -103.227 -70.343 36.084 1.00 23.21 C ATOM 258 C ASN A 17 -104.067 -69.134 35.694 1.00 34.45 C ATOM 259 O ASN A 17 -104.582 -69.045 34.573 1.00 30.54 O ATOM 260 CB ASN A 17 -101.764 -70.192 35.614 1.00 24.42 C ATOM 261 CG ASN A 17 -101.576 -70.207 34.102 1.00 52.11 C ATOM 262 OD1 ASN A 17 -101.424 -71.267 33.499 1.00 14.25 O ATOM 263 ND2 ASN A 17 -101.537 -69.032 33.484 1.00 41.03 N ATOM 0 H ASN A 17 -103.906 -71.599 34.558 1.00 62.22 H new ATOM 0 HA ASN A 17 -103.211 -70.402 37.172 1.00 23.21 H new ATOM 0 HB2 ASN A 17 -101.365 -69.257 36.007 1.00 24.42 H new ATOM 0 HB3 ASN A 17 -101.172 -70.998 36.048 1.00 24.42 H new ATOM 0 HD21 ASN A 17 -101.377 -68.990 32.478 1.00 41.03 H new ATOM 0 HD22 ASN A 17 -101.667 -68.171 34.016 1.00 41.03 H new ATOM 270 N TYR A 18 -104.237 -68.230 36.645 1.00 13.53 N ATOM 271 CA TYR A 18 -105.037 -67.030 36.446 1.00 73.10 C ATOM 272 C TYR A 18 -104.359 -65.808 37.087 1.00 35.13 C ATOM 273 O TYR A 18 -105.025 -64.898 37.592 1.00 32.34 O ATOM 274 CB TYR A 18 -106.482 -67.245 36.971 1.00 24.43 C ATOM 275 CG TYR A 18 -106.618 -67.705 38.423 1.00 65.52 C ATOM 276 CD1 TYR A 18 -106.615 -69.058 38.752 1.00 24.52 C ATOM 277 CD2 TYR A 18 -106.781 -66.786 39.455 1.00 74.11 C ATOM 278 CE1 TYR A 18 -106.760 -69.475 40.063 1.00 73.33 C ATOM 279 CE2 TYR A 18 -106.929 -67.196 40.765 1.00 43.40 C ATOM 280 CZ TYR A 18 -106.918 -68.540 41.067 1.00 64.43 C ATOM 281 OH TYR A 18 -107.071 -68.949 42.375 1.00 34.35 O ATOM 0 H TYR A 18 -103.826 -68.306 37.575 1.00 13.53 H new ATOM 0 HA TYR A 18 -105.108 -66.829 35.377 1.00 73.10 H new ATOM 0 HB2 TYR A 18 -107.029 -66.309 36.857 1.00 24.43 H new ATOM 0 HB3 TYR A 18 -106.971 -67.981 36.333 1.00 24.43 H new ATOM 0 HD1 TYR A 18 -106.498 -69.794 37.971 1.00 24.52 H new ATOM 0 HD2 TYR A 18 -106.792 -65.730 39.227 1.00 74.11 H new ATOM 0 HE1 TYR A 18 -106.750 -70.528 40.301 1.00 73.33 H new ATOM 0 HE2 TYR A 18 -107.053 -66.465 41.551 1.00 43.40 H new ATOM 0 HH TYR A 18 -107.169 -68.164 42.954 1.00 34.35 H new ATOM 291 N TRP A 19 -103.022 -65.781 37.015 1.00 54.13 N ATOM 292 CA TRP A 19 -102.222 -64.692 37.586 1.00 4.23 C ATOM 293 C TRP A 19 -102.319 -63.427 36.730 1.00 54.23 C ATOM 294 O TRP A 19 -101.640 -63.293 35.707 1.00 23.21 O ATOM 295 CB TRP A 19 -100.747 -65.095 37.722 1.00 63.35 C ATOM 296 CG TRP A 19 -100.505 -66.327 38.550 1.00 24.43 C ATOM 297 CD1 TRP A 19 -100.888 -66.544 39.846 1.00 54.10 C ATOM 298 CD2 TRP A 19 -99.789 -67.501 38.142 1.00 63.03 C ATOM 299 NE1 TRP A 19 -100.472 -67.791 40.255 1.00 11.22 N ATOM 300 CE2 TRP A 19 -99.793 -68.393 39.230 1.00 11.43 C ATOM 301 CE3 TRP A 19 -99.150 -67.885 36.959 1.00 41.00 C ATOM 302 CZ2 TRP A 19 -99.186 -69.646 39.169 1.00 71.23 C ATOM 303 CZ3 TRP A 19 -98.546 -69.126 36.902 1.00 72.31 C ATOM 304 CH2 TRP A 19 -98.569 -69.993 37.999 1.00 40.30 C ATOM 0 H TRP A 19 -102.468 -66.508 36.562 1.00 54.13 H new ATOM 0 HA TRP A 19 -102.628 -64.487 38.577 1.00 4.23 H new ATOM 0 HB2 TRP A 19 -100.336 -65.257 36.726 1.00 63.35 H new ATOM 0 HB3 TRP A 19 -100.197 -64.264 38.163 1.00 63.35 H new ATOM 0 HD1 TRP A 19 -101.435 -65.841 40.457 1.00 54.10 H new ATOM 0 HE1 TRP A 19 -100.642 -68.200 41.174 1.00 11.22 H new ATOM 0 HE3 TRP A 19 -99.129 -67.223 36.106 1.00 41.00 H new ATOM 0 HZ2 TRP A 19 -99.202 -70.318 40.014 1.00 71.23 H new ATOM 0 HZ3 TRP A 19 -98.047 -69.432 35.994 1.00 72.31 H new ATOM 0 HH2 TRP A 19 -98.089 -70.957 37.920 1.00 40.30 H new ATOM 315 N SER A 20 -103.204 -62.530 37.134 1.00 32.33 N ATOM 316 CA SER A 20 -103.349 -61.241 36.487 1.00 43.05 C ATOM 317 C SER A 20 -102.909 -60.136 37.440 1.00 61.41 C ATOM 318 O SER A 20 -103.567 -59.866 38.452 1.00 23.12 O ATOM 319 CB SER A 20 -104.794 -61.032 36.023 1.00 51.24 C ATOM 320 OG SER A 20 -105.167 -62.010 35.063 1.00 43.31 O ATOM 0 H SER A 20 -103.840 -62.677 37.918 1.00 32.33 H new ATOM 0 HA SER A 20 -102.712 -61.209 35.603 1.00 43.05 H new ATOM 0 HB2 SER A 20 -105.466 -61.084 36.880 1.00 51.24 H new ATOM 0 HB3 SER A 20 -104.901 -60.036 35.593 1.00 51.24 H new ATOM 0 HG SER A 20 -106.094 -61.857 34.783 1.00 43.31 H new ATOM 326 N ASP A 21 -101.782 -59.519 37.116 1.00 55.11 N ATOM 327 CA ASP A 21 -101.165 -58.520 37.981 1.00 41.02 C ATOM 328 C ASP A 21 -101.446 -57.121 37.434 1.00 21.34 C ATOM 329 O ASP A 21 -101.452 -56.908 36.220 1.00 10.23 O ATOM 330 CB ASP A 21 -99.656 -58.799 38.081 1.00 21.20 C ATOM 331 CG ASP A 21 -98.952 -58.113 39.248 1.00 42.25 C ATOM 332 OD1 ASP A 21 -99.624 -57.512 40.102 1.00 71.13 O ATOM 333 OD2 ASP A 21 -97.712 -58.207 39.321 1.00 44.34 O ATOM 0 H ASP A 21 -101.271 -59.694 36.251 1.00 55.11 H new ATOM 0 HA ASP A 21 -101.589 -58.575 38.984 1.00 41.02 H new ATOM 0 HB2 ASP A 21 -99.505 -59.875 38.166 1.00 21.20 H new ATOM 0 HB3 ASP A 21 -99.181 -58.483 37.152 1.00 21.20 H new ATOM 338 N TYR A 22 -101.662 -56.167 38.340 1.00 53.24 N ATOM 339 CA TYR A 22 -102.130 -54.826 37.964 1.00 65.01 C ATOM 340 C TYR A 22 -100.996 -53.843 37.668 1.00 15.20 C ATOM 341 O TYR A 22 -101.246 -52.647 37.483 1.00 44.31 O ATOM 342 CB TYR A 22 -103.061 -54.247 39.036 1.00 34.22 C ATOM 343 CG TYR A 22 -104.447 -54.858 39.045 1.00 42.40 C ATOM 344 CD1 TYR A 22 -105.213 -54.911 37.886 1.00 4.41 C ATOM 345 CD2 TYR A 22 -104.992 -55.363 40.213 1.00 70.21 C ATOM 346 CE1 TYR A 22 -106.484 -55.455 37.895 1.00 12.41 C ATOM 347 CE2 TYR A 22 -106.261 -55.911 40.232 1.00 23.31 C ATOM 348 CZ TYR A 22 -107.006 -55.955 39.073 1.00 3.33 C ATOM 349 OH TYR A 22 -108.273 -56.494 39.089 1.00 1.45 O ATOM 0 H TYR A 22 -101.521 -56.295 39.342 1.00 53.24 H new ATOM 0 HA TYR A 22 -102.683 -54.957 37.034 1.00 65.01 H new ATOM 0 HB2 TYR A 22 -102.605 -54.392 40.015 1.00 34.22 H new ATOM 0 HB3 TYR A 22 -103.150 -53.172 38.882 1.00 34.22 H new ATOM 0 HD1 TYR A 22 -104.809 -54.521 36.964 1.00 4.41 H new ATOM 0 HD2 TYR A 22 -104.416 -55.328 41.126 1.00 70.21 H new ATOM 0 HE1 TYR A 22 -107.066 -55.489 36.986 1.00 12.41 H new ATOM 0 HE2 TYR A 22 -106.668 -56.304 41.152 1.00 23.31 H new ATOM 0 HH TYR A 22 -108.487 -56.800 39.995 1.00 1.45 H new ATOM 848 N PRO A 59 -22.014 -2.230 13.912 1.00 22.13 N ATOM 849 CA PRO A 59 -20.983 -2.923 13.143 1.00 31.42 C ATOM 850 C PRO A 59 -19.640 -2.179 13.136 1.00 45.25 C ATOM 851 O PRO A 59 -19.567 -0.993 13.471 1.00 70.35 O ATOM 852 CB PRO A 59 -21.599 -2.978 11.749 1.00 72.33 C ATOM 853 CG PRO A 59 -22.429 -1.743 11.635 1.00 21.42 C ATOM 854 CD PRO A 59 -22.851 -1.372 13.036 1.00 11.21 C ATOM 0 HA PRO A 59 -20.734 -3.900 13.558 1.00 31.42 H new ATOM 0 HB2 PRO A 59 -20.828 -3.006 10.979 1.00 72.33 H new ATOM 0 HB3 PRO A 59 -22.207 -3.874 11.623 1.00 72.33 H new ATOM 0 HG2 PRO A 59 -21.859 -0.935 11.176 1.00 21.42 H new ATOM 0 HG3 PRO A 59 -23.299 -1.919 11.003 1.00 21.42 H new ATOM 0 HD2 PRO A 59 -22.680 -0.314 13.236 1.00 11.21 H new ATOM 0 HD3 PRO A 59 -23.913 -1.559 13.194 1.00 11.21 H new ATOM 862 N VAL A 60 -18.580 -2.882 12.752 1.00 61.51 N ATOM 863 CA VAL A 60 -17.241 -2.312 12.802 1.00 31.24 C ATOM 864 C VAL A 60 -16.583 -2.286 11.407 1.00 34.11 C ATOM 865 O VAL A 60 -16.526 -3.293 10.696 1.00 5.15 O ATOM 866 CB VAL A 60 -16.376 -3.048 13.872 1.00 73.11 C ATOM 867 CG1 VAL A 60 -16.256 -4.539 13.586 1.00 44.22 C ATOM 868 CG2 VAL A 60 -15.004 -2.407 14.030 1.00 54.24 C ATOM 0 H VAL A 60 -18.622 -3.840 12.405 1.00 61.51 H new ATOM 0 HA VAL A 60 -17.317 -1.270 13.113 1.00 31.24 H new ATOM 0 HB VAL A 60 -16.901 -2.941 14.821 1.00 73.11 H new ATOM 0 HG11 VAL A 60 -15.645 -5.009 14.357 1.00 44.22 H new ATOM 0 HG12 VAL A 60 -17.248 -4.990 13.584 1.00 44.22 H new ATOM 0 HG13 VAL A 60 -15.788 -4.686 12.613 1.00 44.22 H new ATOM 0 HG21 VAL A 60 -14.434 -2.949 14.784 1.00 54.24 H new ATOM 0 HG22 VAL A 60 -14.474 -2.443 13.078 1.00 54.24 H new ATOM 0 HG23 VAL A 60 -15.121 -1.369 14.341 1.00 54.24 H new ATOM 878 N LEU A 61 -16.147 -1.092 11.019 1.00 61.33 N ATOM 879 CA LEU A 61 -15.497 -0.840 9.730 1.00 11.43 C ATOM 880 C LEU A 61 -13.978 -1.149 9.816 1.00 41.13 C ATOM 881 O LEU A 61 -13.464 -1.327 10.922 1.00 22.24 O ATOM 882 CB LEU A 61 -15.790 0.620 9.220 1.00 22.04 C ATOM 883 CG LEU A 61 -15.761 1.845 10.197 1.00 51.12 C ATOM 884 CD1 LEU A 61 -17.006 1.920 11.078 1.00 61.01 C ATOM 885 CD2 LEU A 61 -14.509 1.883 11.064 1.00 35.33 C ATOM 0 H LEU A 61 -16.235 -0.257 11.598 1.00 61.33 H new ATOM 0 HA LEU A 61 -15.921 -1.516 8.988 1.00 11.43 H new ATOM 0 HB2 LEU A 61 -15.073 0.829 8.427 1.00 22.04 H new ATOM 0 HB3 LEU A 61 -16.778 0.604 8.760 1.00 22.04 H new ATOM 0 HG LEU A 61 -15.746 2.722 9.549 1.00 51.12 H new ATOM 0 HD11 LEU A 61 -16.935 2.786 11.736 1.00 61.01 H new ATOM 0 HD12 LEU A 61 -17.892 2.013 10.449 1.00 61.01 H new ATOM 0 HD13 LEU A 61 -17.082 1.014 11.679 1.00 61.01 H new ATOM 0 HD21 LEU A 61 -14.546 2.753 11.719 1.00 35.33 H new ATOM 0 HD22 LEU A 61 -14.456 0.977 11.667 1.00 35.33 H new ATOM 0 HD23 LEU A 61 -13.627 1.946 10.427 1.00 35.33 H new ATOM 897 N PRO A 62 -13.231 -1.262 8.677 1.00 54.11 N ATOM 898 CA PRO A 62 -11.806 -1.611 8.714 1.00 53.40 C ATOM 899 C PRO A 62 -10.892 -0.409 8.988 1.00 22.23 C ATOM 900 O PRO A 62 -11.352 0.731 9.124 1.00 75.40 O ATOM 901 CB PRO A 62 -11.554 -2.170 7.310 1.00 44.24 C ATOM 902 CG PRO A 62 -12.482 -1.404 6.434 1.00 31.11 C ATOM 903 CD PRO A 62 -13.687 -1.073 7.277 1.00 31.51 C ATOM 0 HA PRO A 62 -11.582 -2.307 9.523 1.00 53.40 H new ATOM 0 HB2 PRO A 62 -10.516 -2.031 7.007 1.00 44.24 H new ATOM 0 HB3 PRO A 62 -11.758 -3.240 7.266 1.00 44.24 H new ATOM 0 HG2 PRO A 62 -12.006 -0.496 6.064 1.00 31.11 H new ATOM 0 HG3 PRO A 62 -12.768 -1.993 5.562 1.00 31.11 H new ATOM 0 HD2 PRO A 62 -14.022 -0.050 7.104 1.00 31.51 H new ATOM 0 HD3 PRO A 62 -14.526 -1.727 7.042 1.00 31.51 H new ATOM 911 N THR A 63 -9.604 -0.685 9.062 1.00 74.11 N ATOM 912 CA THR A 63 -8.598 0.334 9.227 1.00 42.40 C ATOM 913 C THR A 63 -7.374 -0.102 8.423 1.00 11.43 C ATOM 914 O THR A 63 -7.033 -1.289 8.419 1.00 75.04 O ATOM 915 CB THR A 63 -8.272 0.591 10.741 1.00 13.23 C ATOM 916 OG1 THR A 63 -7.851 1.950 10.917 1.00 14.23 O ATOM 917 CG2 THR A 63 -7.193 -0.329 11.323 1.00 24.13 C ATOM 0 H THR A 63 -9.229 -1.632 9.008 1.00 74.11 H new ATOM 0 HA THR A 63 -8.957 1.292 8.853 1.00 42.40 H new ATOM 0 HB THR A 63 -9.194 0.376 11.280 1.00 13.23 H new ATOM 0 HG1 THR A 63 -7.649 2.110 11.863 1.00 14.23 H new ATOM 0 HG21 THR A 63 -7.032 -0.082 12.372 1.00 24.13 H new ATOM 0 HG22 THR A 63 -7.516 -1.367 11.240 1.00 24.13 H new ATOM 0 HG23 THR A 63 -6.263 -0.193 10.771 1.00 24.13 H new ATOM 925 N ALA A 64 -6.777 0.813 7.675 1.00 42.35 N ATOM 926 CA ALA A 64 -5.621 0.467 6.864 1.00 41.44 C ATOM 927 C ALA A 64 -4.335 0.949 7.510 1.00 72.03 C ATOM 928 O ALA A 64 -4.153 2.147 7.747 1.00 44.22 O ATOM 929 CB ALA A 64 -5.765 1.023 5.465 1.00 31.25 C ATOM 0 H ALA A 64 -7.069 1.788 7.613 1.00 42.35 H new ATOM 0 HA ALA A 64 -5.570 -0.620 6.795 1.00 41.44 H new ATOM 0 HB1 ALA A 64 -4.890 0.753 4.874 1.00 31.25 H new ATOM 0 HB2 ALA A 64 -6.659 0.609 4.999 1.00 31.25 H new ATOM 0 HB3 ALA A 64 -5.850 2.109 5.512 1.00 31.25 H new ATOM 935 N ARG A 65 -3.458 -0.002 7.806 1.00 1.13 N ATOM 936 CA ARG A 65 -2.179 0.264 8.458 1.00 71.40 C ATOM 937 C ARG A 65 -1.106 -0.636 7.860 1.00 11.23 C ATOM 938 O ARG A 65 -1.379 -1.795 7.552 1.00 14.00 O ATOM 939 CB ARG A 65 -2.291 0.044 9.981 1.00 64.31 C ATOM 940 CG ARG A 65 -2.935 1.220 10.701 1.00 33.50 C ATOM 941 CD ARG A 65 -3.233 0.939 12.163 1.00 44.41 C ATOM 942 NE ARG A 65 -3.697 2.158 12.835 1.00 71.15 N ATOM 943 CZ ARG A 65 -4.647 2.221 13.775 1.00 12.42 C ATOM 944 NH1 ARG A 65 -5.268 1.127 14.203 1.00 3.20 N ATOM 945 NH2 ARG A 65 -4.971 3.401 14.285 1.00 52.23 N ATOM 0 H ARG A 65 -3.614 -0.988 7.599 1.00 1.13 H new ATOM 0 HA ARG A 65 -1.902 1.305 8.290 1.00 71.40 H new ATOM 0 HB2 ARG A 65 -2.875 -0.857 10.171 1.00 64.31 H new ATOM 0 HB3 ARG A 65 -1.297 -0.128 10.393 1.00 64.31 H new ATOM 0 HG2 ARG A 65 -2.275 2.085 10.632 1.00 33.50 H new ATOM 0 HG3 ARG A 65 -3.862 1.485 10.193 1.00 33.50 H new ATOM 0 HD2 ARG A 65 -3.992 0.161 12.243 1.00 44.41 H new ATOM 0 HD3 ARG A 65 -2.337 0.562 12.657 1.00 44.41 H new ATOM 0 HE ARG A 65 -3.256 3.036 12.561 1.00 71.15 H new ATOM 0 HH11 ARG A 65 -5.023 0.216 13.814 1.00 3.20 H new ATOM 0 HH12 ARG A 65 -5.989 1.198 14.921 1.00 3.20 H new ATOM 0 HH21 ARG A 65 -4.498 4.244 13.960 1.00 52.23 H new ATOM 0 HH22 ARG A 65 -5.693 3.466 15.002 1.00 52.23 H new ATOM 959 N PHE A 66 0.096 -0.095 7.657 1.00 33.53 N ATOM 960 CA PHE A 66 1.198 -0.860 7.070 1.00 71.52 C ATOM 961 C PHE A 66 2.545 -0.255 7.435 1.00 24.45 C ATOM 962 O PHE A 66 2.619 0.862 7.954 1.00 64.31 O ATOM 963 CB PHE A 66 1.069 -0.975 5.525 1.00 35.34 C ATOM 964 CG PHE A 66 1.175 0.316 4.737 1.00 24.31 C ATOM 965 CD1 PHE A 66 0.107 1.202 4.666 1.00 30.25 C ATOM 966 CD2 PHE A 66 2.342 0.633 4.051 1.00 42.44 C ATOM 967 CE1 PHE A 66 0.205 2.371 3.940 1.00 21.54 C ATOM 968 CE2 PHE A 66 2.438 1.802 3.323 1.00 2.14 C ATOM 969 CZ PHE A 66 1.369 2.669 3.268 1.00 2.42 C ATOM 0 H PHE A 66 0.332 0.870 7.890 1.00 33.53 H new ATOM 0 HA PHE A 66 1.139 -1.864 7.489 1.00 71.52 H new ATOM 0 HB2 PHE A 66 1.842 -1.656 5.168 1.00 35.34 H new ATOM 0 HB3 PHE A 66 0.108 -1.436 5.297 1.00 35.34 H new ATOM 0 HD1 PHE A 66 -0.811 0.973 5.186 1.00 30.25 H new ATOM 0 HD2 PHE A 66 3.183 -0.043 4.088 1.00 42.44 H new ATOM 0 HE1 PHE A 66 -0.632 3.053 3.899 1.00 21.54 H new ATOM 0 HE2 PHE A 66 3.351 2.037 2.797 1.00 2.14 H new ATOM 0 HZ PHE A 66 1.444 3.583 2.697 1.00 2.42 H new ATOM 979 N THR A 67 3.603 -1.011 7.181 1.00 1.52 N ATOM 980 CA THR A 67 4.953 -0.492 7.266 1.00 12.34 C ATOM 981 C THR A 67 5.603 -0.528 5.885 1.00 33.31 C ATOM 982 O THR A 67 5.460 -1.499 5.132 1.00 4.13 O ATOM 983 CB THR A 67 5.822 -1.256 8.317 1.00 42.43 C ATOM 984 OG1 THR A 67 7.157 -0.729 8.375 1.00 71.12 O ATOM 985 CG2 THR A 67 5.907 -2.751 8.037 1.00 31.11 C ATOM 0 H THR A 67 3.547 -1.993 6.912 1.00 1.52 H new ATOM 0 HA THR A 67 4.894 0.540 7.611 1.00 12.34 H new ATOM 0 HB THR A 67 5.319 -1.109 9.273 1.00 42.43 H new ATOM 0 HG1 THR A 67 7.676 -1.225 9.042 1.00 71.12 H new ATOM 0 HG21 THR A 67 6.523 -3.229 8.799 1.00 31.11 H new ATOM 0 HG22 THR A 67 4.906 -3.182 8.056 1.00 31.11 H new ATOM 0 HG23 THR A 67 6.353 -2.913 7.056 1.00 31.11 H new ATOM 993 N SER A 68 6.246 0.568 5.533 1.00 44.15 N ATOM 994 CA SER A 68 7.039 0.643 4.324 1.00 24.15 C ATOM 995 C SER A 68 8.521 0.586 4.692 1.00 22.41 C ATOM 996 O SER A 68 8.901 0.983 5.801 1.00 0.32 O ATOM 997 CB SER A 68 6.711 1.938 3.568 1.00 3.40 C ATOM 998 OG SER A 68 6.806 3.067 4.424 1.00 61.32 O ATOM 0 H SER A 68 6.233 1.431 6.077 1.00 44.15 H new ATOM 0 HA SER A 68 6.806 -0.199 3.673 1.00 24.15 H new ATOM 0 HB2 SER A 68 7.396 2.056 2.728 1.00 3.40 H new ATOM 0 HB3 SER A 68 5.705 1.876 3.153 1.00 3.40 H new ATOM 0 HG SER A 68 6.594 3.879 3.919 1.00 61.32 H new ATOM 1004 N ASP A 69 9.346 0.065 3.787 1.00 30.12 N ATOM 1005 CA ASP A 69 10.795 0.056 3.990 1.00 50.21 C ATOM 1006 C ASP A 69 11.361 1.453 3.756 1.00 63.40 C ATOM 1007 O ASP A 69 12.116 1.979 4.579 1.00 74.33 O ATOM 1008 CB ASP A 69 11.464 -0.953 3.048 1.00 43.12 C ATOM 1009 CG ASP A 69 12.967 -1.033 3.233 1.00 74.13 C ATOM 1010 OD1 ASP A 69 13.418 -1.643 4.223 1.00 40.21 O ATOM 1011 OD2 ASP A 69 13.703 -0.476 2.391 1.00 63.35 O ATOM 0 H ASP A 69 9.039 -0.355 2.910 1.00 30.12 H new ATOM 0 HA ASP A 69 11.003 -0.244 5.017 1.00 50.21 H new ATOM 0 HB2 ASP A 69 11.030 -1.939 3.214 1.00 43.12 H new ATOM 0 HB3 ASP A 69 11.245 -0.678 2.016 1.00 43.12 H new ATOM 1016 N ILE A 70 10.973 2.049 2.635 1.00 20.15 N ATOM 1017 CA ILE A 70 11.421 3.386 2.278 1.00 74.24 C ATOM 1018 C ILE A 70 10.250 4.328 2.040 1.00 42.12 C ATOM 1019 O ILE A 70 9.138 3.904 1.714 1.00 24.53 O ATOM 1020 CB ILE A 70 12.364 3.400 1.027 1.00 33.03 C ATOM 1021 CG1 ILE A 70 11.944 2.379 -0.055 1.00 65.31 C ATOM 1022 CG2 ILE A 70 13.808 3.163 1.439 1.00 75.20 C ATOM 1023 CD1 ILE A 70 10.830 2.837 -0.981 1.00 73.12 C ATOM 0 H ILE A 70 10.345 1.622 1.954 1.00 20.15 H new ATOM 0 HA ILE A 70 11.996 3.738 3.135 1.00 74.24 H new ATOM 0 HB ILE A 70 12.272 4.391 0.583 1.00 33.03 H new ATOM 0 HG12 ILE A 70 12.818 2.133 -0.658 1.00 65.31 H new ATOM 0 HG13 ILE A 70 11.629 1.460 0.439 1.00 65.31 H new ATOM 0 HG21 ILE A 70 14.446 3.177 0.555 1.00 75.20 H new ATOM 0 HG22 ILE A 70 14.124 3.948 2.126 1.00 75.20 H new ATOM 0 HG23 ILE A 70 13.892 2.194 1.932 1.00 75.20 H new ATOM 0 HD11 ILE A 70 10.610 2.050 -1.703 1.00 73.12 H new ATOM 0 HD12 ILE A 70 9.936 3.053 -0.396 1.00 73.12 H new ATOM 0 HD13 ILE A 70 11.144 3.737 -1.510 1.00 73.12 H new ATOM 1035 N THR A 71 10.521 5.603 2.226 1.00 42.13 N ATOM 1036 CA THR A 71 9.630 6.661 1.792 1.00 41.13 C ATOM 1037 C THR A 71 10.249 7.361 0.581 1.00 74.20 C ATOM 1038 O THR A 71 9.552 7.779 -0.347 1.00 73.03 O ATOM 1039 CB THR A 71 9.375 7.679 2.925 1.00 33.03 C ATOM 1040 OG1 THR A 71 10.611 8.015 3.576 1.00 30.44 O ATOM 1041 CG2 THR A 71 8.390 7.129 3.947 1.00 40.13 C ATOM 0 H THR A 71 11.369 5.937 2.684 1.00 42.13 H new ATOM 0 HA THR A 71 8.668 6.225 1.520 1.00 41.13 H new ATOM 0 HB THR A 71 8.944 8.576 2.480 1.00 33.03 H new ATOM 0 HG1 THR A 71 10.439 8.662 4.291 1.00 30.44 H new ATOM 0 HG21 THR A 71 8.230 7.868 4.732 1.00 40.13 H new ATOM 0 HG22 THR A 71 7.442 6.910 3.457 1.00 40.13 H new ATOM 0 HG23 THR A 71 8.792 6.215 4.385 1.00 40.13 H new ATOM 1049 N GLU A 72 11.584 7.415 0.584 1.00 62.33 N ATOM 1050 CA GLU A 72 12.359 8.093 -0.442 1.00 60.41 C ATOM 1051 C GLU A 72 13.750 7.458 -0.503 1.00 11.24 C ATOM 1052 O GLU A 72 14.298 7.049 0.523 1.00 14.24 O ATOM 1053 CB GLU A 72 12.476 9.600 -0.144 1.00 42.23 C ATOM 1054 CG GLU A 72 13.107 10.407 -1.284 1.00 45.53 C ATOM 1055 CD GLU A 72 13.344 11.865 -0.932 1.00 34.33 C ATOM 1056 OE1 GLU A 72 14.331 12.152 -0.231 1.00 54.42 O ATOM 1057 OE2 GLU A 72 12.558 12.732 -1.367 1.00 11.44 O ATOM 0 H GLU A 72 12.157 6.983 1.309 1.00 62.33 H new ATOM 0 HA GLU A 72 11.854 7.985 -1.402 1.00 60.41 H new ATOM 0 HB2 GLU A 72 11.483 9.998 0.065 1.00 42.23 H new ATOM 0 HB3 GLU A 72 13.071 9.738 0.759 1.00 42.23 H new ATOM 0 HG2 GLU A 72 14.056 9.949 -1.561 1.00 45.53 H new ATOM 0 HG3 GLU A 72 12.459 10.353 -2.159 1.00 45.53 H new ATOM 1064 N GLY A 73 14.290 7.356 -1.704 1.00 34.31 N ATOM 1065 CA GLY A 73 15.629 6.840 -1.894 1.00 20.11 C ATOM 1066 C GLY A 73 15.924 6.660 -3.355 1.00 65.24 C ATOM 1067 O GLY A 73 15.437 7.431 -4.169 1.00 63.35 O ATOM 0 H GLY A 73 13.816 7.626 -2.566 1.00 34.31 H new ATOM 0 HA2 GLY A 73 16.354 7.524 -1.453 1.00 20.11 H new ATOM 0 HA3 GLY A 73 15.734 5.887 -1.376 1.00 20.11 H new ATOM 1071 N PHE A 74 16.717 5.650 -3.691 1.00 44.22 N ATOM 1072 CA PHE A 74 16.996 5.298 -5.087 1.00 14.13 C ATOM 1073 C PHE A 74 15.861 4.424 -5.664 1.00 55.23 C ATOM 1074 O PHE A 74 14.700 4.632 -5.335 1.00 40.41 O ATOM 1075 CB PHE A 74 18.391 4.616 -5.197 1.00 61.02 C ATOM 1076 CG PHE A 74 18.688 3.515 -4.185 1.00 71.34 C ATOM 1077 CD1 PHE A 74 19.266 3.821 -2.961 1.00 21.20 C ATOM 1078 CD2 PHE A 74 18.411 2.184 -4.466 1.00 50.12 C ATOM 1079 CE1 PHE A 74 19.554 2.831 -2.043 1.00 74.43 C ATOM 1080 CE2 PHE A 74 18.695 1.189 -3.548 1.00 32.31 C ATOM 1081 CZ PHE A 74 19.268 1.514 -2.336 1.00 70.14 C ATOM 0 H PHE A 74 17.185 5.051 -3.011 1.00 44.22 H new ATOM 0 HA PHE A 74 17.030 6.205 -5.690 1.00 14.13 H new ATOM 0 HB2 PHE A 74 18.488 4.195 -6.198 1.00 61.02 H new ATOM 0 HB3 PHE A 74 19.156 5.386 -5.099 1.00 61.02 H new ATOM 0 HD1 PHE A 74 19.494 4.849 -2.723 1.00 21.20 H new ATOM 0 HD2 PHE A 74 17.967 1.922 -5.415 1.00 50.12 H new ATOM 0 HE1 PHE A 74 20.003 3.088 -1.095 1.00 74.43 H new ATOM 0 HE2 PHE A 74 18.468 0.159 -3.780 1.00 32.31 H new ATOM 0 HZ PHE A 74 19.492 0.739 -1.618 1.00 70.14 H new ATOM 1091 N ALA A 75 16.194 3.421 -6.470 1.00 63.33 N ATOM 1092 CA ALA A 75 15.183 2.562 -7.068 1.00 22.43 C ATOM 1093 C ALA A 75 15.297 1.188 -6.410 1.00 3.14 C ATOM 1094 O ALA A 75 16.192 0.405 -6.751 1.00 14.41 O ATOM 1095 CB ALA A 75 15.365 2.456 -8.572 1.00 24.10 C ATOM 0 H ALA A 75 17.154 3.185 -6.722 1.00 63.33 H new ATOM 0 HA ALA A 75 14.192 2.984 -6.902 1.00 22.43 H new ATOM 0 HB1 ALA A 75 14.594 1.807 -8.987 1.00 24.10 H new ATOM 0 HB2 ALA A 75 15.285 3.447 -9.019 1.00 24.10 H new ATOM 0 HB3 ALA A 75 16.347 2.038 -8.791 1.00 24.10 H new ATOM 1101 N PRO A 76 14.431 0.895 -5.417 1.00 70.03 N ATOM 1102 CA PRO A 76 14.550 -0.300 -4.583 1.00 41.40 C ATOM 1103 C PRO A 76 13.976 -1.548 -5.246 1.00 74.14 C ATOM 1104 O PRO A 76 12.960 -1.486 -5.944 1.00 63.14 O ATOM 1105 CB PRO A 76 13.758 0.066 -3.315 1.00 43.52 C ATOM 1106 CG PRO A 76 13.255 1.459 -3.527 1.00 13.31 C ATOM 1107 CD PRO A 76 13.270 1.693 -5.006 1.00 34.25 C ATOM 0 HA PRO A 76 15.592 -0.554 -4.389 1.00 41.40 H new ATOM 0 HB2 PRO A 76 12.931 -0.627 -3.158 1.00 43.52 H new ATOM 0 HB3 PRO A 76 14.392 0.011 -2.430 1.00 43.52 H new ATOM 0 HG2 PRO A 76 12.248 1.574 -3.126 1.00 13.31 H new ATOM 0 HG3 PRO A 76 13.887 2.183 -3.013 1.00 13.31 H new ATOM 0 HD2 PRO A 76 12.350 1.355 -5.484 1.00 34.25 H new ATOM 0 HD3 PRO A 76 13.389 2.748 -5.253 1.00 34.25 H new ATOM 1115 N LEU A 77 14.624 -2.681 -5.007 1.00 75.00 N ATOM 1116 CA LEU A 77 14.265 -3.917 -5.678 1.00 74.01 C ATOM 1117 C LEU A 77 13.173 -4.634 -4.873 1.00 32.31 C ATOM 1118 O LEU A 77 11.994 -4.422 -5.119 1.00 23.52 O ATOM 1119 CB LEU A 77 15.527 -4.776 -5.887 1.00 31.00 C ATOM 1120 CG LEU A 77 15.492 -5.785 -7.042 1.00 15.41 C ATOM 1121 CD1 LEU A 77 16.866 -5.890 -7.682 1.00 10.11 C ATOM 1122 CD2 LEU A 77 15.056 -7.157 -6.556 1.00 15.02 C ATOM 0 H LEU A 77 15.401 -2.766 -4.352 1.00 75.00 H new ATOM 0 HA LEU A 77 13.853 -3.716 -6.667 1.00 74.01 H new ATOM 0 HB2 LEU A 77 16.372 -4.106 -6.047 1.00 31.00 H new ATOM 0 HB3 LEU A 77 15.723 -5.322 -4.964 1.00 31.00 H new ATOM 0 HG LEU A 77 14.770 -5.430 -7.777 1.00 15.41 H new ATOM 0 HD11 LEU A 77 16.832 -6.608 -8.501 1.00 10.11 H new ATOM 0 HD12 LEU A 77 17.164 -4.915 -8.067 1.00 10.11 H new ATOM 0 HD13 LEU A 77 17.590 -6.222 -6.938 1.00 10.11 H new ATOM 0 HD21 LEU A 77 15.040 -7.852 -7.395 1.00 15.02 H new ATOM 0 HD22 LEU A 77 15.756 -7.515 -5.801 1.00 15.02 H new ATOM 0 HD23 LEU A 77 14.058 -7.089 -6.122 1.00 15.02 H new ATOM 1134 N SER A 78 13.551 -5.425 -3.879 1.00 74.33 N ATOM 1135 CA SER A 78 12.566 -6.123 -3.068 1.00 21.40 C ATOM 1136 C SER A 78 12.265 -5.298 -1.819 1.00 73.41 C ATOM 1137 O SER A 78 13.019 -5.314 -0.842 1.00 70.41 O ATOM 1138 CB SER A 78 13.055 -7.530 -2.709 1.00 62.24 C ATOM 1139 OG SER A 78 12.036 -8.293 -2.077 1.00 61.11 O ATOM 0 H SER A 78 14.522 -5.598 -3.617 1.00 74.33 H new ATOM 0 HA SER A 78 11.645 -6.241 -3.638 1.00 21.40 H new ATOM 0 HB2 SER A 78 13.386 -8.042 -3.612 1.00 62.24 H new ATOM 0 HB3 SER A 78 13.919 -7.458 -2.048 1.00 62.24 H new ATOM 0 HG SER A 78 12.381 -9.185 -1.863 1.00 61.11 H new ATOM 1145 N VAL A 79 11.173 -4.547 -1.892 1.00 0.32 N ATOM 1146 CA VAL A 79 10.781 -3.636 -0.823 1.00 14.01 C ATOM 1147 C VAL A 79 9.822 -4.350 0.126 1.00 62.43 C ATOM 1148 O VAL A 79 8.821 -4.923 -0.321 1.00 13.11 O ATOM 1149 CB VAL A 79 10.094 -2.357 -1.374 1.00 74.51 C ATOM 1150 CG1 VAL A 79 10.104 -1.245 -0.333 1.00 33.31 C ATOM 1151 CG2 VAL A 79 10.744 -1.875 -2.663 1.00 72.24 C ATOM 0 H VAL A 79 10.537 -4.552 -2.689 1.00 0.32 H new ATOM 0 HA VAL A 79 11.686 -3.333 -0.297 1.00 14.01 H new ATOM 0 HB VAL A 79 9.061 -2.620 -1.600 1.00 74.51 H new ATOM 0 HG11 VAL A 79 9.617 -0.359 -0.742 1.00 33.31 H new ATOM 0 HG12 VAL A 79 9.568 -1.575 0.557 1.00 33.31 H new ATOM 0 HG13 VAL A 79 11.133 -1.004 -0.068 1.00 33.31 H new ATOM 0 HG21 VAL A 79 10.233 -0.979 -3.015 1.00 72.24 H new ATOM 0 HG22 VAL A 79 11.793 -1.646 -2.478 1.00 72.24 H new ATOM 0 HG23 VAL A 79 10.671 -2.655 -3.421 1.00 72.24 H new ATOM 1161 N ARG A 80 10.131 -4.328 1.419 1.00 53.51 N ATOM 1162 CA ARG A 80 9.297 -4.991 2.414 1.00 1.34 C ATOM 1163 C ARG A 80 8.094 -4.129 2.805 1.00 55.22 C ATOM 1164 O ARG A 80 8.228 -2.999 3.286 1.00 52.01 O ATOM 1165 CB ARG A 80 10.122 -5.401 3.649 1.00 34.01 C ATOM 1166 CG ARG A 80 10.895 -4.271 4.315 1.00 33.11 C ATOM 1167 CD ARG A 80 11.596 -4.725 5.579 1.00 40.41 C ATOM 1168 NE ARG A 80 12.698 -5.661 5.325 1.00 64.14 N ATOM 1169 CZ ARG A 80 13.989 -5.377 5.557 1.00 50.34 C ATOM 1170 NH1 ARG A 80 14.349 -4.143 5.914 1.00 62.32 N ATOM 1171 NH2 ARG A 80 14.915 -6.318 5.388 1.00 23.44 N ATOM 0 H ARG A 80 10.952 -3.859 1.801 1.00 53.51 H new ATOM 0 HA ARG A 80 8.907 -5.902 1.960 1.00 1.34 H new ATOM 0 HB2 ARG A 80 9.450 -5.843 4.385 1.00 34.01 H new ATOM 0 HB3 ARG A 80 10.827 -6.178 3.354 1.00 34.01 H new ATOM 0 HG2 ARG A 80 11.631 -3.875 3.615 1.00 33.11 H new ATOM 0 HG3 ARG A 80 10.211 -3.456 4.553 1.00 33.11 H new ATOM 0 HD2 ARG A 80 11.983 -3.853 6.105 1.00 40.41 H new ATOM 0 HD3 ARG A 80 10.870 -5.199 6.239 1.00 40.41 H new ATOM 0 HE ARG A 80 12.469 -6.582 4.950 1.00 64.14 H new ATOM 0 HH11 ARG A 80 13.643 -3.414 6.011 1.00 62.32 H new ATOM 0 HH12 ARG A 80 15.331 -3.929 6.090 1.00 62.32 H new ATOM 0 HH21 ARG A 80 14.643 -7.252 5.083 1.00 23.44 H new ATOM 0 HH22 ARG A 80 15.897 -6.105 5.564 1.00 23.44 H new ATOM 1185 N PHE A 81 6.913 -4.662 2.522 1.00 11.13 N ATOM 1186 CA PHE A 81 5.667 -4.069 2.964 1.00 33.21 C ATOM 1187 C PHE A 81 4.909 -5.100 3.777 1.00 4.31 C ATOM 1188 O PHE A 81 4.636 -6.201 3.289 1.00 24.21 O ATOM 1189 CB PHE A 81 4.783 -3.635 1.786 1.00 0.00 C ATOM 1190 CG PHE A 81 5.429 -2.704 0.797 1.00 2.45 C ATOM 1191 CD1 PHE A 81 5.684 -1.381 1.126 1.00 21.05 C ATOM 1192 CD2 PHE A 81 5.767 -3.153 -0.470 1.00 73.04 C ATOM 1193 CE1 PHE A 81 6.267 -0.531 0.211 1.00 4.04 C ATOM 1194 CE2 PHE A 81 6.349 -2.305 -1.391 1.00 5.55 C ATOM 1195 CZ PHE A 81 6.598 -0.993 -1.050 1.00 1.35 C ATOM 0 H PHE A 81 6.796 -5.518 1.979 1.00 11.13 H new ATOM 0 HA PHE A 81 5.904 -3.183 3.553 1.00 33.21 H new ATOM 0 HB2 PHE A 81 4.452 -4.528 1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.891 -3.152 2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.423 -1.014 2.108 1.00 21.05 H new ATOM 0 HD2 PHE A 81 5.572 -4.180 -0.740 1.00 73.04 H new ATOM 0 HE1 PHE A 81 6.465 0.496 0.479 1.00 4.04 H new ATOM 0 HE2 PHE A 81 6.608 -2.668 -2.375 1.00 5.55 H new ATOM 0 HZ PHE A 81 7.052 -0.325 -1.768 1.00 1.35 H new ATOM 1205 N LYS A 82 4.582 -4.757 5.005 1.00 54.24 N ATOM 1206 CA LYS A 82 3.819 -5.649 5.860 1.00 13.44 C ATOM 1207 C LYS A 82 2.491 -5.028 6.220 1.00 14.44 C ATOM 1208 O LYS A 82 2.430 -3.878 6.659 1.00 42.22 O ATOM 1209 CB LYS A 82 4.596 -6.026 7.130 1.00 32.33 C ATOM 1210 CG LYS A 82 5.645 -7.109 6.919 1.00 5.42 C ATOM 1211 CD LYS A 82 4.996 -8.437 6.555 1.00 31.13 C ATOM 1212 CE LYS A 82 6.008 -9.570 6.448 1.00 4.10 C ATOM 1213 NZ LYS A 82 6.949 -9.394 5.309 1.00 40.33 N ATOM 0 H LYS A 82 4.832 -3.867 5.436 1.00 54.24 H new ATOM 0 HA LYS A 82 3.641 -6.567 5.299 1.00 13.44 H new ATOM 0 HB2 LYS A 82 5.084 -5.134 7.522 1.00 32.33 H new ATOM 0 HB3 LYS A 82 3.889 -6.363 7.889 1.00 32.33 H new ATOM 0 HG2 LYS A 82 6.330 -6.806 6.127 1.00 5.42 H new ATOM 0 HG3 LYS A 82 6.238 -7.227 7.826 1.00 5.42 H new ATOM 0 HD2 LYS A 82 4.249 -8.691 7.307 1.00 31.13 H new ATOM 0 HD3 LYS A 82 4.470 -8.333 5.606 1.00 31.13 H new ATOM 0 HE2 LYS A 82 6.576 -9.633 7.376 1.00 4.10 H new ATOM 0 HE3 LYS A 82 5.478 -10.515 6.333 1.00 4.10 H new ATOM 0 HZ1 LYS A 82 7.615 -10.192 5.283 1.00 40.33 H new ATOM 0 HZ2 LYS A 82 6.413 -9.361 4.418 1.00 40.33 H new ATOM 0 HZ3 LYS A 82 7.477 -8.506 5.429 1.00 40.33 H new ATOM 1227 N ASP A 83 1.439 -5.810 6.027 1.00 51.21 N ATOM 1228 CA ASP A 83 0.078 -5.385 6.321 1.00 71.24 C ATOM 1229 C ASP A 83 -0.186 -5.513 7.818 1.00 14.42 C ATOM 1230 O ASP A 83 0.154 -6.527 8.436 1.00 75.21 O ATOM 1231 CB ASP A 83 -0.921 -6.240 5.518 1.00 5.03 C ATOM 1232 CG ASP A 83 -2.393 -5.950 5.813 1.00 52.44 C ATOM 1233 OD1 ASP A 83 -2.944 -6.535 6.774 1.00 21.20 O ATOM 1234 OD2 ASP A 83 -3.021 -5.195 5.054 1.00 52.01 O ATOM 0 H ASP A 83 1.505 -6.760 5.661 1.00 51.21 H new ATOM 0 HA ASP A 83 -0.049 -4.342 6.032 1.00 71.24 H new ATOM 0 HB2 ASP A 83 -0.740 -6.083 4.455 1.00 5.03 H new ATOM 0 HB3 ASP A 83 -0.724 -7.292 5.723 1.00 5.03 H new ATOM 1239 N PHE A 84 -0.772 -4.474 8.386 1.00 51.43 N ATOM 1240 CA PHE A 84 -1.171 -4.464 9.789 1.00 53.44 C ATOM 1241 C PHE A 84 -2.604 -3.954 9.900 1.00 60.43 C ATOM 1242 O PHE A 84 -3.049 -3.532 10.972 1.00 51.34 O ATOM 1243 CB PHE A 84 -0.225 -3.589 10.632 1.00 73.34 C ATOM 1244 CG PHE A 84 1.165 -4.152 10.770 1.00 11.31 C ATOM 1245 CD1 PHE A 84 1.374 -5.365 11.412 1.00 5.32 C ATOM 1246 CD2 PHE A 84 2.254 -3.479 10.247 1.00 31.33 C ATOM 1247 CE1 PHE A 84 2.645 -5.892 11.528 1.00 42.53 C ATOM 1248 CE2 PHE A 84 3.524 -4.002 10.362 1.00 63.21 C ATOM 1249 CZ PHE A 84 3.721 -5.208 11.003 1.00 72.23 C ATOM 0 H PHE A 84 -0.987 -3.609 7.889 1.00 51.43 H new ATOM 0 HA PHE A 84 -1.112 -5.481 10.177 1.00 53.44 H new ATOM 0 HB2 PHE A 84 -0.162 -2.599 10.180 1.00 73.34 H new ATOM 0 HB3 PHE A 84 -0.654 -3.459 11.625 1.00 73.34 H new ATOM 0 HD1 PHE A 84 0.533 -5.902 11.825 1.00 5.32 H new ATOM 0 HD2 PHE A 84 2.108 -2.535 9.744 1.00 31.33 H new ATOM 0 HE1 PHE A 84 2.796 -6.837 12.028 1.00 42.53 H new ATOM 0 HE2 PHE A 84 4.367 -3.467 9.950 1.00 63.21 H new ATOM 0 HZ PHE A 84 4.717 -5.616 11.093 1.00 72.23 H new ATOM 1259 N SER A 85 -3.309 -4.010 8.770 1.00 2.43 N ATOM 1260 CA SER A 85 -4.672 -3.529 8.654 1.00 54.00 C ATOM 1261 C SER A 85 -5.640 -4.389 9.461 1.00 43.34 C ATOM 1262 O SER A 85 -5.743 -5.604 9.258 1.00 23.14 O ATOM 1263 CB SER A 85 -5.075 -3.523 7.190 1.00 3.14 C ATOM 1264 OG SER A 85 -4.177 -2.748 6.420 1.00 14.23 O ATOM 0 H SER A 85 -2.938 -4.397 7.902 1.00 2.43 H new ATOM 0 HA SER A 85 -4.718 -2.517 9.057 1.00 54.00 H new ATOM 0 HB2 SER A 85 -5.096 -4.545 6.811 1.00 3.14 H new ATOM 0 HB3 SER A 85 -6.084 -3.124 7.089 1.00 3.14 H new ATOM 0 HG SER A 85 -3.547 -3.340 5.959 1.00 14.23 H new ATOM 1270 N GLU A 86 -6.349 -3.735 10.371 1.00 34.44 N ATOM 1271 CA GLU A 86 -7.231 -4.411 11.303 1.00 34.51 C ATOM 1272 C GLU A 86 -8.672 -4.300 10.831 1.00 25.25 C ATOM 1273 O GLU A 86 -9.018 -3.355 10.116 1.00 14.42 O ATOM 1274 CB GLU A 86 -7.116 -3.792 12.693 1.00 34.50 C ATOM 1275 CG GLU A 86 -5.702 -3.744 13.248 1.00 64.40 C ATOM 1276 CD GLU A 86 -5.623 -2.997 14.559 1.00 14.52 C ATOM 1277 OE1 GLU A 86 -5.475 -1.762 14.524 1.00 44.12 O ATOM 1278 OE2 GLU A 86 -5.730 -3.635 15.620 1.00 64.11 O ATOM 0 H GLU A 86 -6.327 -2.721 10.481 1.00 34.44 H new ATOM 0 HA GLU A 86 -6.938 -5.460 11.350 1.00 34.51 H new ATOM 0 HB2 GLU A 86 -7.514 -2.778 12.659 1.00 34.50 H new ATOM 0 HB3 GLU A 86 -7.744 -4.358 13.382 1.00 34.50 H new ATOM 0 HG2 GLU A 86 -5.335 -4.761 13.390 1.00 64.40 H new ATOM 0 HG3 GLU A 86 -5.045 -3.267 12.521 1.00 64.40 H new ATOM 1285 N ASN A 87 -9.485 -5.290 11.229 1.00 50.40 N ATOM 1286 CA ASN A 87 -10.932 -5.376 10.907 1.00 72.34 C ATOM 1287 C ASN A 87 -11.166 -5.496 9.397 1.00 74.41 C ATOM 1288 O ASN A 87 -12.212 -5.107 8.884 1.00 52.01 O ATOM 1289 CB ASN A 87 -11.721 -4.183 11.481 1.00 74.40 C ATOM 1290 CG ASN A 87 -11.688 -4.115 13.001 1.00 20.12 C ATOM 1291 OD1 ASN A 87 -12.487 -4.753 13.677 1.00 22.03 O ATOM 1292 ND2 ASN A 87 -10.785 -3.312 13.546 1.00 11.33 N ATOM 0 H ASN A 87 -9.156 -6.072 11.795 1.00 50.40 H new ATOM 0 HA ASN A 87 -11.305 -6.283 11.383 1.00 72.34 H new ATOM 0 HB2 ASN A 87 -11.314 -3.257 11.074 1.00 74.40 H new ATOM 0 HB3 ASN A 87 -12.757 -4.248 11.150 1.00 74.40 H new ATOM 0 HD21 ASN A 87 -10.739 -3.210 14.560 1.00 11.33 H new ATOM 0 HD22 ASN A 87 -10.136 -2.797 12.952 1.00 11.33 H new ATOM 1299 N ALA A 88 -10.193 -6.066 8.694 1.00 21.02 N ATOM 1300 CA ALA A 88 -10.247 -6.154 7.250 1.00 71.20 C ATOM 1301 C ALA A 88 -10.689 -7.534 6.802 1.00 21.14 C ATOM 1302 O ALA A 88 -10.228 -8.552 7.326 1.00 30.43 O ATOM 1303 CB ALA A 88 -8.888 -5.825 6.659 1.00 64.30 C ATOM 0 H ALA A 88 -9.356 -6.474 9.109 1.00 21.02 H new ATOM 0 HA ALA A 88 -10.980 -5.431 6.892 1.00 71.20 H new ATOM 0 HB1 ALA A 88 -8.938 -5.894 5.572 1.00 64.30 H new ATOM 0 HB2 ALA A 88 -8.602 -4.813 6.946 1.00 64.30 H new ATOM 0 HB3 ALA A 88 -8.148 -6.532 7.034 1.00 64.30 H new ATOM 1309 N THR A 89 -11.588 -7.551 5.835 1.00 13.40 N ATOM 1310 CA THR A 89 -12.022 -8.776 5.192 1.00 34.32 C ATOM 1311 C THR A 89 -11.077 -9.097 4.037 1.00 21.41 C ATOM 1312 O THR A 89 -10.513 -10.190 3.962 1.00 12.34 O ATOM 1313 CB THR A 89 -13.474 -8.628 4.677 1.00 0.32 C ATOM 1314 OG1 THR A 89 -14.301 -8.126 5.732 1.00 54.12 O ATOM 1315 CG2 THR A 89 -14.047 -9.952 4.184 1.00 61.41 C ATOM 0 H THR A 89 -12.039 -6.711 5.472 1.00 13.40 H new ATOM 0 HA THR A 89 -12.000 -9.592 5.914 1.00 34.32 H new ATOM 0 HB THR A 89 -13.457 -7.936 3.835 1.00 0.32 H new ATOM 0 HG1 THR A 89 -15.221 -8.029 5.409 1.00 54.12 H new ATOM 0 HG21 THR A 89 -15.067 -9.799 3.833 1.00 61.41 H new ATOM 0 HG22 THR A 89 -13.435 -10.331 3.366 1.00 61.41 H new ATOM 0 HG23 THR A 89 -14.049 -10.674 5.001 1.00 61.41 H new ATOM 1323 N SER A 90 -10.877 -8.114 3.166 1.00 2.31 N ATOM 1324 CA SER A 90 -9.999 -8.260 2.020 1.00 30.14 C ATOM 1325 C SER A 90 -9.005 -7.106 1.980 1.00 64.34 C ATOM 1326 O SER A 90 -9.312 -6.004 2.432 1.00 73.20 O ATOM 1327 CB SER A 90 -10.825 -8.283 0.730 1.00 71.55 C ATOM 1328 OG SER A 90 -11.787 -9.325 0.746 1.00 32.21 O ATOM 0 H SER A 90 -11.319 -7.198 3.238 1.00 2.31 H new ATOM 0 HA SER A 90 -9.451 -9.198 2.107 1.00 30.14 H new ATOM 0 HB2 SER A 90 -11.328 -7.324 0.602 1.00 71.55 H new ATOM 0 HB3 SER A 90 -10.162 -8.412 -0.125 1.00 71.55 H new ATOM 0 HG SER A 90 -12.298 -9.311 -0.090 1.00 32.21 H new ATOM 1334 N ARG A 91 -7.808 -7.369 1.472 1.00 65.41 N ATOM 1335 CA ARG A 91 -6.836 -6.310 1.235 1.00 32.34 C ATOM 1336 C ARG A 91 -6.620 -6.134 -0.258 1.00 54.13 C ATOM 1337 O ARG A 91 -6.545 -7.109 -1.011 1.00 65.35 O ATOM 1338 CB ARG A 91 -5.511 -6.569 1.970 1.00 61.12 C ATOM 1339 CG ARG A 91 -4.914 -7.947 1.739 1.00 34.10 C ATOM 1340 CD ARG A 91 -3.785 -8.240 2.715 1.00 53.44 C ATOM 1341 NE ARG A 91 -4.180 -8.022 4.114 1.00 64.24 N ATOM 1342 CZ ARG A 91 -4.815 -8.908 4.891 1.00 1.30 C ATOM 1343 NH1 ARG A 91 -5.192 -10.093 4.414 1.00 63.53 N ATOM 1344 NH2 ARG A 91 -5.076 -8.597 6.157 1.00 24.34 N ATOM 0 H ARG A 91 -7.488 -8.303 1.217 1.00 65.41 H new ATOM 0 HA ARG A 91 -7.237 -5.382 1.642 1.00 32.34 H new ATOM 0 HB2 ARG A 91 -4.786 -5.817 1.658 1.00 61.12 H new ATOM 0 HB3 ARG A 91 -5.672 -6.433 3.039 1.00 61.12 H new ATOM 0 HG2 ARG A 91 -5.692 -8.703 1.844 1.00 34.10 H new ATOM 0 HG3 ARG A 91 -4.539 -8.015 0.718 1.00 34.10 H new ATOM 0 HD2 ARG A 91 -3.459 -9.273 2.589 1.00 53.44 H new ATOM 0 HD3 ARG A 91 -2.931 -7.605 2.479 1.00 53.44 H new ATOM 0 HE ARG A 91 -3.951 -7.118 4.528 1.00 64.24 H new ATOM 0 HH11 ARG A 91 -4.998 -10.337 3.443 1.00 63.53 H new ATOM 0 HH12 ARG A 91 -5.675 -10.756 5.020 1.00 63.53 H new ATOM 0 HH21 ARG A 91 -4.793 -7.690 6.528 1.00 24.34 H new ATOM 0 HH22 ARG A 91 -5.559 -9.265 6.757 1.00 24.34 H new ATOM 1358 N LEU A 92 -6.542 -4.890 -0.677 1.00 22.41 N ATOM 1359 CA LEU A 92 -6.486 -4.548 -2.077 1.00 42.15 C ATOM 1360 C LEU A 92 -5.227 -3.738 -2.332 1.00 45.14 C ATOM 1361 O LEU A 92 -5.105 -2.598 -1.863 1.00 14.22 O ATOM 1362 CB LEU A 92 -7.730 -3.732 -2.455 1.00 13.30 C ATOM 1363 CG LEU A 92 -8.014 -3.589 -3.945 1.00 32.41 C ATOM 1364 CD1 LEU A 92 -8.653 -4.856 -4.479 1.00 42.33 C ATOM 1365 CD2 LEU A 92 -8.910 -2.389 -4.203 1.00 24.50 C ATOM 0 H LEU A 92 -6.516 -4.085 -0.051 1.00 22.41 H new ATOM 0 HA LEU A 92 -6.464 -5.452 -2.685 1.00 42.15 H new ATOM 0 HB2 LEU A 92 -8.598 -4.193 -1.984 1.00 13.30 H new ATOM 0 HB3 LEU A 92 -7.628 -2.734 -2.028 1.00 13.30 H new ATOM 0 HG LEU A 92 -7.070 -3.429 -4.467 1.00 32.41 H new ATOM 0 HD11 LEU A 92 -8.851 -4.742 -5.545 1.00 42.33 H new ATOM 0 HD12 LEU A 92 -7.978 -5.697 -4.323 1.00 42.33 H new ATOM 0 HD13 LEU A 92 -9.590 -5.041 -3.953 1.00 42.33 H new ATOM 0 HD21 LEU A 92 -9.103 -2.302 -5.272 1.00 24.50 H new ATOM 0 HD22 LEU A 92 -9.854 -2.519 -3.674 1.00 24.50 H new ATOM 0 HD23 LEU A 92 -8.417 -1.484 -3.848 1.00 24.50 H new ATOM 1377 N TRP A 93 -4.279 -4.334 -3.036 1.00 40.40 N ATOM 1378 CA TRP A 93 -3.094 -3.608 -3.445 1.00 13.32 C ATOM 1379 C TRP A 93 -3.325 -3.003 -4.811 1.00 3.02 C ATOM 1380 O TRP A 93 -3.456 -3.716 -5.809 1.00 72.31 O ATOM 1381 CB TRP A 93 -1.859 -4.521 -3.482 1.00 50.13 C ATOM 1382 CG TRP A 93 -1.337 -4.913 -2.130 1.00 71.13 C ATOM 1383 CD1 TRP A 93 -1.407 -6.147 -1.548 1.00 11.40 C ATOM 1384 CD2 TRP A 93 -0.661 -4.065 -1.190 1.00 12.41 C ATOM 1385 NE1 TRP A 93 -0.801 -6.123 -0.314 1.00 33.31 N ATOM 1386 CE2 TRP A 93 -0.341 -4.856 -0.068 1.00 12.02 C ATOM 1387 CE3 TRP A 93 -0.289 -2.716 -1.187 1.00 74.21 C ATOM 1388 CZ2 TRP A 93 0.330 -4.342 1.043 1.00 72.23 C ATOM 1389 CZ3 TRP A 93 0.373 -2.211 -0.088 1.00 44.33 C ATOM 1390 CH2 TRP A 93 0.677 -3.021 1.013 1.00 40.51 C ATOM 0 H TRP A 93 -4.308 -5.309 -3.333 1.00 40.40 H new ATOM 0 HA TRP A 93 -2.905 -2.821 -2.715 1.00 13.32 H new ATOM 0 HB2 TRP A 93 -2.107 -5.425 -4.038 1.00 50.13 H new ATOM 0 HB3 TRP A 93 -1.065 -4.016 -4.032 1.00 50.13 H new ATOM 0 HD1 TRP A 93 -1.871 -7.015 -1.993 1.00 11.40 H new ATOM 0 HE1 TRP A 93 -0.709 -6.920 0.316 1.00 33.31 H new ATOM 0 HE3 TRP A 93 -0.516 -2.081 -2.031 1.00 74.21 H new ATOM 0 HZ2 TRP A 93 0.566 -4.965 1.893 1.00 72.23 H new ATOM 0 HZ3 TRP A 93 0.663 -1.171 -0.076 1.00 44.33 H new ATOM 0 HH2 TRP A 93 1.197 -2.592 1.857 1.00 40.51 H new ATOM 1401 N MET A 94 -3.409 -1.684 -4.848 1.00 41.23 N ATOM 1402 CA MET A 94 -3.568 -0.983 -6.100 1.00 4.34 C ATOM 1403 C MET A 94 -2.407 -0.035 -6.323 1.00 55.14 C ATOM 1404 O MET A 94 -2.152 0.882 -5.537 1.00 2.52 O ATOM 1405 CB MET A 94 -4.929 -0.265 -6.212 1.00 74.23 C ATOM 1406 CG MET A 94 -5.279 0.699 -5.088 1.00 3.23 C ATOM 1407 SD MET A 94 -6.749 1.669 -5.477 1.00 73.30 S ATOM 1408 CE MET A 94 -6.740 2.872 -4.154 1.00 51.14 C ATOM 0 H MET A 94 -3.369 -1.083 -4.025 1.00 41.23 H new ATOM 0 HA MET A 94 -3.561 -1.727 -6.896 1.00 4.34 H new ATOM 0 HB2 MET A 94 -4.949 0.285 -7.153 1.00 74.23 H new ATOM 0 HB3 MET A 94 -5.711 -1.022 -6.269 1.00 74.23 H new ATOM 0 HG2 MET A 94 -5.445 0.140 -4.167 1.00 3.23 H new ATOM 0 HG3 MET A 94 -4.438 1.369 -4.907 1.00 3.23 H new ATOM 0 HE1 MET A 94 -7.613 3.518 -4.244 1.00 51.14 H new ATOM 0 HE2 MET A 94 -6.767 2.357 -3.194 1.00 51.14 H new ATOM 0 HE3 MET A 94 -5.834 3.475 -4.217 1.00 51.14 H new ATOM 1418 N PHE A 95 -1.662 -0.328 -7.374 1.00 5.43 N ATOM 1419 CA PHE A 95 -0.555 0.515 -7.799 1.00 60.30 C ATOM 1420 C PHE A 95 -0.973 1.354 -9.013 1.00 65.10 C ATOM 1421 O PHE A 95 -0.245 2.247 -9.444 1.00 2.12 O ATOM 1422 CB PHE A 95 0.674 -0.347 -8.137 1.00 32.11 C ATOM 1423 CG PHE A 95 1.113 -1.275 -7.023 1.00 41.11 C ATOM 1424 CD1 PHE A 95 1.868 -0.799 -5.960 1.00 31.01 C ATOM 1425 CD2 PHE A 95 0.774 -2.622 -7.049 1.00 45.04 C ATOM 1426 CE1 PHE A 95 2.272 -1.649 -4.944 1.00 23.03 C ATOM 1427 CE2 PHE A 95 1.176 -3.474 -6.036 1.00 12.43 C ATOM 1428 CZ PHE A 95 1.925 -2.987 -4.984 1.00 21.22 C ATOM 0 H PHE A 95 -1.805 -1.153 -7.956 1.00 5.43 H new ATOM 0 HA PHE A 95 -0.289 1.187 -6.983 1.00 60.30 H new ATOM 0 HB2 PHE A 95 0.453 -0.942 -9.023 1.00 32.11 H new ATOM 0 HB3 PHE A 95 1.504 0.311 -8.394 1.00 32.11 H new ATOM 0 HD1 PHE A 95 2.143 0.245 -5.925 1.00 31.01 H new ATOM 0 HD2 PHE A 95 0.189 -3.009 -7.870 1.00 45.04 H new ATOM 0 HE1 PHE A 95 2.858 -1.267 -4.121 1.00 23.03 H new ATOM 0 HE2 PHE A 95 0.904 -4.519 -6.068 1.00 12.43 H new ATOM 0 HZ PHE A 95 2.240 -3.651 -4.192 1.00 21.22 H new ATOM 1438 N GLY A 96 -2.159 1.037 -9.564 1.00 54.00 N ATOM 1439 CA GLY A 96 -2.677 1.739 -10.734 1.00 51.52 C ATOM 1440 C GLY A 96 -2.270 1.081 -12.041 1.00 51.33 C ATOM 1441 O GLY A 96 -2.668 1.519 -13.119 1.00 15.31 O ATOM 0 H GLY A 96 -2.770 0.299 -9.212 1.00 54.00 H new ATOM 0 HA2 GLY A 96 -3.765 1.780 -10.676 1.00 51.52 H new ATOM 0 HA3 GLY A 96 -2.318 2.768 -10.723 1.00 51.52 H new ATOM 1445 N ASP A 97 -1.491 0.016 -11.928 1.00 21.52 N ATOM 1446 CA ASP A 97 -0.919 -0.662 -13.078 1.00 22.55 C ATOM 1447 C ASP A 97 -1.191 -2.160 -12.966 1.00 54.00 C ATOM 1448 O ASP A 97 -0.670 -2.829 -12.071 1.00 45.51 O ATOM 1449 CB ASP A 97 0.587 -0.345 -13.169 1.00 41.25 C ATOM 1450 CG ASP A 97 1.251 -0.880 -14.428 1.00 54.41 C ATOM 1451 OD1 ASP A 97 1.038 -0.307 -15.515 1.00 5.14 O ATOM 1452 OD2 ASP A 97 1.986 -1.879 -14.333 1.00 74.34 O ATOM 0 H ASP A 97 -1.238 -0.403 -11.033 1.00 21.52 H new ATOM 0 HA ASP A 97 -1.382 -0.309 -14.000 1.00 22.55 H new ATOM 0 HB2 ASP A 97 0.725 0.735 -13.128 1.00 41.25 H new ATOM 0 HB3 ASP A 97 1.090 -0.764 -12.298 1.00 41.25 H new ATOM 1457 N GLY A 98 -2.045 -2.667 -13.844 1.00 62.53 N ATOM 1458 CA GLY A 98 -2.412 -4.070 -13.803 1.00 62.30 C ATOM 1459 C GLY A 98 -3.657 -4.324 -12.970 1.00 62.12 C ATOM 1460 O GLY A 98 -4.619 -3.552 -13.025 1.00 74.34 O ATOM 0 H GLY A 98 -2.492 -2.130 -14.587 1.00 62.53 H new ATOM 0 HA2 GLY A 98 -2.580 -4.428 -14.819 1.00 62.30 H new ATOM 0 HA3 GLY A 98 -1.582 -4.647 -13.395 1.00 62.30 H new ATOM 1464 N ASN A 99 -3.623 -5.403 -12.198 1.00 0.40 N ATOM 1465 CA ASN A 99 -4.762 -5.799 -11.367 1.00 21.11 C ATOM 1466 C ASN A 99 -4.713 -5.168 -9.976 1.00 71.42 C ATOM 1467 O ASN A 99 -3.661 -4.738 -9.502 1.00 71.25 O ATOM 1468 CB ASN A 99 -4.856 -7.327 -11.216 1.00 52.44 C ATOM 1469 CG ASN A 99 -5.403 -8.037 -12.439 1.00 21.50 C ATOM 1470 OD1 ASN A 99 -6.184 -7.481 -13.216 1.00 21.45 O ATOM 1471 ND2 ASN A 99 -5.013 -9.289 -12.609 1.00 60.04 N ATOM 0 H ASN A 99 -2.817 -6.024 -12.127 1.00 0.40 H new ATOM 0 HA ASN A 99 -5.647 -5.433 -11.888 1.00 21.11 H new ATOM 0 HB2 ASN A 99 -3.864 -7.721 -10.993 1.00 52.44 H new ATOM 0 HB3 ASN A 99 -5.490 -7.559 -10.360 1.00 52.44 H new ATOM 0 HD21 ASN A 99 -5.359 -9.828 -13.403 1.00 60.04 H new ATOM 0 HD22 ASN A 99 -4.366 -9.716 -11.946 1.00 60.04 H new ATOM 1478 N THR A 100 -5.881 -5.087 -9.359 1.00 40.33 N ATOM 1479 CA THR A 100 -6.006 -4.741 -7.953 1.00 52.32 C ATOM 1480 C THR A 100 -6.066 -6.020 -7.120 1.00 13.34 C ATOM 1481 O THR A 100 -6.710 -6.990 -7.541 1.00 22.11 O ATOM 1482 CB THR A 100 -7.258 -3.878 -7.705 1.00 42.32 C ATOM 1483 OG1 THR A 100 -8.403 -4.460 -8.344 1.00 71.11 O ATOM 1484 CG2 THR A 100 -7.057 -2.467 -8.222 1.00 1.42 C ATOM 0 H THR A 100 -6.773 -5.260 -9.822 1.00 40.33 H new ATOM 0 HA THR A 100 -5.136 -4.156 -7.656 1.00 52.32 H new ATOM 0 HB THR A 100 -7.425 -3.838 -6.629 1.00 42.32 H new ATOM 0 HG1 THR A 100 -9.191 -3.901 -8.176 1.00 71.11 H new ATOM 0 HG21 THR A 100 -7.956 -1.879 -8.034 1.00 1.42 H new ATOM 0 HG22 THR A 100 -6.210 -2.009 -7.710 1.00 1.42 H new ATOM 0 HG23 THR A 100 -6.860 -2.497 -9.294 1.00 1.42 H new ATOM 1602 N THR A 109 8.366 -4.988 -6.623 1.00 44.11 N ATOM 1603 CA THR A 109 9.731 -4.810 -7.052 1.00 74.42 C ATOM 1604 C THR A 109 9.781 -3.686 -8.080 1.00 34.55 C ATOM 1605 O THR A 109 9.110 -3.754 -9.115 1.00 31.12 O ATOM 1606 CB THR A 109 10.286 -6.125 -7.650 1.00 71.13 C ATOM 1607 OG1 THR A 109 10.250 -7.152 -6.650 1.00 71.21 O ATOM 1608 CG2 THR A 109 11.718 -5.964 -8.161 1.00 43.33 C ATOM 0 HA THR A 109 10.353 -4.546 -6.197 1.00 74.42 H new ATOM 0 HB THR A 109 9.659 -6.396 -8.500 1.00 71.13 H new ATOM 0 HG1 THR A 109 9.500 -6.989 -6.040 1.00 71.21 H new ATOM 0 HG21 THR A 109 12.066 -6.912 -8.572 1.00 43.33 H new ATOM 0 HG22 THR A 109 11.743 -5.200 -8.938 1.00 43.33 H new ATOM 0 HG23 THR A 109 12.367 -5.665 -7.338 1.00 43.33 H new ATOM 1616 N PHE A 110 10.543 -2.640 -7.781 1.00 13.22 N ATOM 1617 CA PHE A 110 10.671 -1.517 -8.696 1.00 31.34 C ATOM 1618 C PHE A 110 11.932 -1.687 -9.525 1.00 61.35 C ATOM 1619 O PHE A 110 13.052 -1.545 -9.028 1.00 54.22 O ATOM 1620 CB PHE A 110 10.677 -0.175 -7.948 1.00 53.30 C ATOM 1621 CG PHE A 110 9.512 0.008 -7.004 1.00 51.43 C ATOM 1622 CD1 PHE A 110 8.201 -0.129 -7.448 1.00 73.44 C ATOM 1623 CD2 PHE A 110 9.731 0.308 -5.670 1.00 51.44 C ATOM 1624 CE1 PHE A 110 7.139 0.030 -6.577 1.00 43.13 C ATOM 1625 CE2 PHE A 110 8.672 0.466 -4.797 1.00 75.12 C ATOM 1626 CZ PHE A 110 7.376 0.327 -5.250 1.00 54.31 C ATOM 0 H PHE A 110 11.078 -2.548 -6.917 1.00 13.22 H new ATOM 0 HA PHE A 110 9.805 -1.505 -9.358 1.00 31.34 H new ATOM 0 HB2 PHE A 110 11.606 -0.090 -7.384 1.00 53.30 H new ATOM 0 HB3 PHE A 110 10.671 0.635 -8.677 1.00 53.30 H new ATOM 0 HD1 PHE A 110 8.010 -0.362 -8.485 1.00 73.44 H new ATOM 0 HD2 PHE A 110 10.742 0.420 -5.308 1.00 51.44 H new ATOM 0 HE1 PHE A 110 6.126 -0.078 -6.934 1.00 43.13 H new ATOM 0 HE2 PHE A 110 8.859 0.699 -3.759 1.00 75.12 H new ATOM 0 HZ PHE A 110 6.548 0.450 -4.567 1.00 54.31 H new ATOM 1636 N PHE A 111 11.726 -2.024 -10.796 1.00 3.11 N ATOM 1637 CA PHE A 111 12.821 -2.346 -11.718 1.00 4.14 C ATOM 1638 C PHE A 111 13.551 -1.084 -12.206 1.00 23.23 C ATOM 1639 O PHE A 111 14.705 -1.155 -12.623 1.00 12.21 O ATOM 1640 CB PHE A 111 12.291 -3.141 -12.925 1.00 61.22 C ATOM 1641 CG PHE A 111 11.542 -4.403 -12.564 1.00 52.42 C ATOM 1642 CD1 PHE A 111 12.224 -5.559 -12.215 1.00 62.21 C ATOM 1643 CD2 PHE A 111 10.154 -4.429 -12.580 1.00 22.41 C ATOM 1644 CE1 PHE A 111 11.535 -6.714 -11.888 1.00 63.45 C ATOM 1645 CE2 PHE A 111 9.464 -5.579 -12.253 1.00 64.02 C ATOM 1646 CZ PHE A 111 10.154 -6.722 -11.906 1.00 2.12 C ATOM 0 H PHE A 111 10.799 -2.083 -11.218 1.00 3.11 H new ATOM 0 HA PHE A 111 13.538 -2.956 -11.167 1.00 4.14 H new ATOM 0 HB2 PHE A 111 11.632 -2.497 -13.508 1.00 61.22 H new ATOM 0 HB3 PHE A 111 13.131 -3.403 -13.568 1.00 61.22 H new ATOM 0 HD1 PHE A 111 13.304 -5.558 -12.198 1.00 62.21 H new ATOM 0 HD2 PHE A 111 9.607 -3.538 -12.852 1.00 22.41 H new ATOM 0 HE1 PHE A 111 12.077 -7.609 -11.619 1.00 63.45 H new ATOM 0 HE2 PHE A 111 8.384 -5.584 -12.269 1.00 64.02 H new ATOM 0 HZ PHE A 111 9.615 -7.622 -11.649 1.00 2.12 H new ATOM 1656 N ASN A 112 12.870 0.062 -12.130 1.00 42.43 N ATOM 1657 CA ASN A 112 13.427 1.343 -12.558 1.00 14.11 C ATOM 1658 C ASN A 112 13.053 2.457 -11.585 1.00 72.20 C ATOM 1659 O ASN A 112 12.355 2.222 -10.592 1.00 54.24 O ATOM 1660 CB ASN A 112 12.961 1.707 -13.976 1.00 24.35 C ATOM 1661 CG ASN A 112 13.857 1.115 -15.055 1.00 34.41 C ATOM 1662 OD1 ASN A 112 15.062 0.941 -14.854 1.00 64.43 O ATOM 1663 ND2 ASN A 112 13.278 0.807 -16.205 1.00 53.23 N ATOM 0 H ASN A 112 11.918 0.126 -11.770 1.00 42.43 H new ATOM 0 HA ASN A 112 14.512 1.238 -12.567 1.00 14.11 H new ATOM 0 HB2 ASN A 112 11.940 1.353 -14.121 1.00 24.35 H new ATOM 0 HB3 ASN A 112 12.940 2.792 -14.081 1.00 24.35 H new ATOM 0 HD21 ASN A 112 13.831 0.410 -16.965 1.00 53.23 H new ATOM 0 HD22 ASN A 112 12.278 0.966 -16.332 1.00 53.23 H new ATOM 1670 N GLU A 113 13.530 3.661 -11.883 1.00 51.32 N ATOM 1671 CA GLU A 113 13.295 4.845 -11.055 1.00 31.20 C ATOM 1672 C GLU A 113 11.982 5.541 -11.446 1.00 12.42 C ATOM 1673 O GLU A 113 11.331 5.149 -12.414 1.00 23.14 O ATOM 1674 CB GLU A 113 14.466 5.833 -11.188 1.00 33.22 C ATOM 1675 CG GLU A 113 15.825 5.247 -10.824 1.00 11.44 C ATOM 1676 CD GLU A 113 16.628 4.787 -12.026 1.00 33.20 C ATOM 1677 OE1 GLU A 113 16.438 3.643 -12.481 1.00 62.50 O ATOM 1678 OE2 GLU A 113 17.457 5.568 -12.520 1.00 42.31 O ATOM 0 H GLU A 113 14.095 3.847 -12.712 1.00 51.32 H new ATOM 0 HA GLU A 113 13.218 4.517 -10.018 1.00 31.20 H new ATOM 0 HB2 GLU A 113 14.504 6.198 -12.215 1.00 33.22 H new ATOM 0 HB3 GLU A 113 14.273 6.696 -10.550 1.00 33.22 H new ATOM 0 HG2 GLU A 113 16.400 5.995 -10.278 1.00 11.44 H new ATOM 0 HG3 GLU A 113 15.679 4.403 -10.150 1.00 11.44 H new ATOM 1685 N GLY A 114 11.599 6.570 -10.695 1.00 35.24 N ATOM 1686 CA GLY A 114 10.395 7.315 -11.010 1.00 54.43 C ATOM 1687 C GLY A 114 9.606 7.706 -9.779 1.00 22.43 C ATOM 1688 O GLY A 114 10.185 8.078 -8.759 1.00 62.15 O ATOM 0 H GLY A 114 12.103 6.901 -9.872 1.00 35.24 H new ATOM 0 HA2 GLY A 114 10.665 8.214 -11.564 1.00 54.43 H new ATOM 0 HA3 GLY A 114 9.763 6.715 -11.665 1.00 54.43 H new ATOM 1692 N GLU A 115 8.285 7.619 -9.877 1.00 21.31 N ATOM 1693 CA GLU A 115 7.402 7.988 -8.779 1.00 42.43 C ATOM 1694 C GLU A 115 6.263 6.979 -8.684 1.00 51.01 C ATOM 1695 O GLU A 115 5.446 6.860 -9.602 1.00 23.21 O ATOM 1696 CB GLU A 115 6.855 9.404 -8.988 1.00 64.40 C ATOM 1697 CG GLU A 115 6.121 9.969 -7.773 1.00 70.11 C ATOM 1698 CD GLU A 115 5.662 11.402 -7.968 1.00 32.10 C ATOM 1699 OE1 GLU A 115 6.469 12.327 -7.743 1.00 1.21 O ATOM 1700 OE2 GLU A 115 4.489 11.612 -8.334 1.00 40.33 O ATOM 0 H GLU A 115 7.799 7.293 -10.713 1.00 21.31 H new ATOM 0 HA GLU A 115 7.964 7.978 -7.845 1.00 42.43 H new ATOM 0 HB2 GLU A 115 7.681 10.068 -9.243 1.00 64.40 H new ATOM 0 HB3 GLU A 115 6.176 9.399 -9.841 1.00 64.40 H new ATOM 0 HG2 GLU A 115 5.256 9.343 -7.555 1.00 70.11 H new ATOM 0 HG3 GLU A 115 6.777 9.919 -6.904 1.00 70.11 H new ATOM 1707 N TYR A 116 6.228 6.246 -7.584 1.00 64.33 N ATOM 1708 CA TYR A 116 5.268 5.167 -7.404 1.00 4.43 C ATOM 1709 C TYR A 116 4.356 5.478 -6.232 1.00 44.03 C ATOM 1710 O TYR A 116 4.703 6.271 -5.365 1.00 55.11 O ATOM 1711 CB TYR A 116 5.999 3.836 -7.158 1.00 13.22 C ATOM 1712 CG TYR A 116 6.946 3.438 -8.273 1.00 41.12 C ATOM 1713 CD1 TYR A 116 6.485 2.749 -9.385 1.00 54.53 C ATOM 1714 CD2 TYR A 116 8.299 3.765 -8.215 1.00 33.22 C ATOM 1715 CE1 TYR A 116 7.343 2.396 -10.410 1.00 45.44 C ATOM 1716 CE2 TYR A 116 9.160 3.414 -9.233 1.00 51.40 C ATOM 1717 CZ TYR A 116 8.678 2.732 -10.329 1.00 32.22 C ATOM 1718 OH TYR A 116 9.531 2.398 -11.351 1.00 74.15 O ATOM 0 H TYR A 116 6.860 6.380 -6.794 1.00 64.33 H new ATOM 0 HA TYR A 116 4.670 5.076 -8.311 1.00 4.43 H new ATOM 0 HB2 TYR A 116 6.561 3.908 -6.227 1.00 13.22 H new ATOM 0 HB3 TYR A 116 5.260 3.046 -7.024 1.00 13.22 H new ATOM 0 HD1 TYR A 116 5.440 2.484 -9.451 1.00 54.53 H new ATOM 0 HD2 TYR A 116 8.680 4.302 -7.359 1.00 33.22 H new ATOM 0 HE1 TYR A 116 6.970 1.860 -11.270 1.00 45.44 H new ATOM 0 HE2 TYR A 116 10.207 3.672 -9.172 1.00 51.40 H new ATOM 0 HH TYR A 116 10.450 2.362 -11.012 1.00 74.15 H new ATOM 1728 N ILE A 117 3.175 4.878 -6.222 1.00 42.21 N ATOM 1729 CA ILE A 117 2.251 5.033 -5.103 1.00 10.02 C ATOM 1730 C ILE A 117 1.882 3.666 -4.543 1.00 31.24 C ATOM 1731 O ILE A 117 1.313 2.820 -5.242 1.00 21.14 O ATOM 1732 CB ILE A 117 0.957 5.815 -5.501 1.00 4.32 C ATOM 1733 CG1 ILE A 117 1.299 7.240 -5.982 1.00 22.45 C ATOM 1734 CG2 ILE A 117 -0.048 5.865 -4.344 1.00 54.45 C ATOM 1735 CD1 ILE A 117 1.826 8.180 -4.908 1.00 0.21 C ATOM 0 H ILE A 117 2.832 4.280 -6.974 1.00 42.21 H new ATOM 0 HA ILE A 117 2.761 5.621 -4.340 1.00 10.02 H new ATOM 0 HB ILE A 117 0.491 5.275 -6.326 1.00 4.32 H new ATOM 0 HG12 ILE A 117 2.042 7.169 -6.776 1.00 22.45 H new ATOM 0 HG13 ILE A 117 0.405 7.682 -6.421 1.00 22.45 H new ATOM 0 HG21 ILE A 117 -0.935 6.416 -4.656 1.00 54.45 H new ATOM 0 HG22 ILE A 117 -0.331 4.850 -4.064 1.00 54.45 H new ATOM 0 HG23 ILE A 117 0.407 6.364 -3.488 1.00 54.45 H new ATOM 0 HD11 ILE A 117 2.036 9.155 -5.349 1.00 0.21 H new ATOM 0 HD12 ILE A 117 1.079 8.290 -4.122 1.00 0.21 H new ATOM 0 HD13 ILE A 117 2.742 7.769 -4.483 1.00 0.21 H new ATOM 1747 N VAL A 118 2.239 3.453 -3.286 1.00 41.54 N ATOM 1748 CA VAL A 118 1.809 2.273 -2.560 1.00 42.12 C ATOM 1749 C VAL A 118 0.520 2.603 -1.819 1.00 60.21 C ATOM 1750 O VAL A 118 0.510 3.414 -0.888 1.00 24.01 O ATOM 1751 CB VAL A 118 2.912 1.769 -1.583 1.00 34.22 C ATOM 1752 CG1 VAL A 118 2.418 0.646 -0.678 1.00 54.50 C ATOM 1753 CG2 VAL A 118 4.116 1.287 -2.368 1.00 5.14 C ATOM 0 H VAL A 118 2.829 4.087 -2.747 1.00 41.54 H new ATOM 0 HA VAL A 118 1.627 1.462 -3.265 1.00 42.12 H new ATOM 0 HB VAL A 118 3.186 2.611 -0.948 1.00 34.22 H new ATOM 0 HG11 VAL A 118 3.225 0.330 -0.016 1.00 54.50 H new ATOM 0 HG12 VAL A 118 1.578 1.002 -0.082 1.00 54.50 H new ATOM 0 HG13 VAL A 118 2.098 -0.199 -1.288 1.00 54.50 H new ATOM 0 HG21 VAL A 118 4.883 0.936 -1.678 1.00 5.14 H new ATOM 0 HG22 VAL A 118 3.818 0.470 -3.026 1.00 5.14 H new ATOM 0 HG23 VAL A 118 4.513 2.108 -2.965 1.00 5.14 H new ATOM 1763 N SER A 119 -0.572 2.005 -2.270 1.00 60.22 N ATOM 1764 CA SER A 119 -1.862 2.231 -1.659 1.00 12.03 C ATOM 1765 C SER A 119 -2.430 0.922 -1.139 1.00 71.41 C ATOM 1766 O SER A 119 -2.754 0.009 -1.910 1.00 43.51 O ATOM 1767 CB SER A 119 -2.828 2.884 -2.653 1.00 13.03 C ATOM 1768 OG SER A 119 -4.063 3.212 -2.035 1.00 54.13 O ATOM 0 H SER A 119 -0.585 1.359 -3.059 1.00 60.22 H new ATOM 0 HA SER A 119 -1.733 2.913 -0.819 1.00 12.03 H new ATOM 0 HB2 SER A 119 -2.375 3.786 -3.065 1.00 13.03 H new ATOM 0 HB3 SER A 119 -3.006 2.207 -3.488 1.00 13.03 H new ATOM 0 HG SER A 119 -4.450 3.999 -2.474 1.00 54.13 H new ATOM 1774 N LEU A 120 -2.530 0.847 0.175 1.00 73.13 N ATOM 1775 CA LEU A 120 -3.158 -0.271 0.837 1.00 21.34 C ATOM 1776 C LEU A 120 -4.552 0.149 1.257 1.00 2.21 C ATOM 1777 O LEU A 120 -4.723 0.989 2.143 1.00 64.24 O ATOM 1778 CB LEU A 120 -2.316 -0.735 2.042 1.00 23.21 C ATOM 1779 CG LEU A 120 -2.857 -1.923 2.863 1.00 52.43 C ATOM 1780 CD1 LEU A 120 -3.195 -3.119 1.976 1.00 52.32 C ATOM 1781 CD2 LEU A 120 -1.828 -2.325 3.900 1.00 20.54 C ATOM 0 H LEU A 120 -2.176 1.562 0.810 1.00 73.13 H new ATOM 0 HA LEU A 120 -3.228 -1.121 0.158 1.00 21.34 H new ATOM 0 HB2 LEU A 120 -1.323 -1.000 1.679 1.00 23.21 H new ATOM 0 HB3 LEU A 120 -2.193 0.113 2.715 1.00 23.21 H new ATOM 0 HG LEU A 120 -3.778 -1.606 3.352 1.00 52.43 H new ATOM 0 HD11 LEU A 120 -3.573 -3.934 2.593 1.00 52.32 H new ATOM 0 HD12 LEU A 120 -3.956 -2.830 1.251 1.00 52.32 H new ATOM 0 HD13 LEU A 120 -2.298 -3.447 1.450 1.00 52.32 H new ATOM 0 HD21 LEU A 120 -2.207 -3.165 4.482 1.00 20.54 H new ATOM 0 HD22 LEU A 120 -0.904 -2.617 3.401 1.00 20.54 H new ATOM 0 HD23 LEU A 120 -1.632 -1.483 4.563 1.00 20.54 H new ATOM 1793 N ILE A 121 -5.542 -0.413 0.592 1.00 13.33 N ATOM 1794 CA ILE A 121 -6.920 -0.146 0.919 1.00 13.32 C ATOM 1795 C ILE A 121 -7.577 -1.463 1.272 1.00 71.21 C ATOM 1796 O ILE A 121 -7.466 -2.446 0.548 1.00 70.32 O ATOM 1797 CB ILE A 121 -7.696 0.613 -0.212 1.00 12.15 C ATOM 1798 CG1 ILE A 121 -9.209 0.676 0.106 1.00 32.55 C ATOM 1799 CG2 ILE A 121 -7.446 0.000 -1.591 1.00 3.20 C ATOM 1800 CD1 ILE A 121 -9.997 1.655 -0.737 1.00 14.04 C ATOM 0 H ILE A 121 -5.411 -1.062 -0.184 1.00 13.33 H new ATOM 0 HA ILE A 121 -6.952 0.534 1.770 1.00 13.32 H new ATOM 0 HB ILE A 121 -7.310 1.632 -0.243 1.00 12.15 H new ATOM 0 HG12 ILE A 121 -9.635 -0.319 -0.025 1.00 32.55 H new ATOM 0 HG13 ILE A 121 -9.334 0.940 1.156 1.00 32.55 H new ATOM 0 HG21 ILE A 121 -8.003 0.558 -2.344 1.00 3.20 H new ATOM 0 HG22 ILE A 121 -6.381 0.044 -1.821 1.00 3.20 H new ATOM 0 HG23 ILE A 121 -7.775 -1.039 -1.592 1.00 3.20 H new ATOM 0 HD11 ILE A 121 -11.046 1.628 -0.441 1.00 14.04 H new ATOM 0 HD12 ILE A 121 -9.604 2.661 -0.589 1.00 14.04 H new ATOM 0 HD13 ILE A 121 -9.910 1.382 -1.789 1.00 14.04 H new ATOM 1812 N VAL A 122 -8.212 -1.496 2.416 1.00 64.32 N ATOM 1813 CA VAL A 122 -8.831 -2.709 2.886 1.00 12.43 C ATOM 1814 C VAL A 122 -10.335 -2.556 2.896 1.00 21.20 C ATOM 1815 O VAL A 122 -10.865 -1.463 3.097 1.00 40.32 O ATOM 1816 CB VAL A 122 -8.301 -3.150 4.268 1.00 60.05 C ATOM 1817 CG1 VAL A 122 -6.876 -3.666 4.131 1.00 53.34 C ATOM 1818 CG2 VAL A 122 -8.357 -2.019 5.286 1.00 61.20 C ATOM 0 H VAL A 122 -8.314 -0.696 3.040 1.00 64.32 H new ATOM 0 HA VAL A 122 -8.563 -3.504 2.191 1.00 12.43 H new ATOM 0 HB VAL A 122 -8.946 -3.949 4.635 1.00 60.05 H new ATOM 0 HG11 VAL A 122 -6.506 -3.976 5.108 1.00 53.34 H new ATOM 0 HG12 VAL A 122 -6.861 -4.517 3.450 1.00 53.34 H new ATOM 0 HG13 VAL A 122 -6.239 -2.875 3.736 1.00 53.34 H new ATOM 0 HG21 VAL A 122 -7.975 -2.372 6.244 1.00 61.20 H new ATOM 0 HG22 VAL A 122 -7.747 -1.185 4.938 1.00 61.20 H new ATOM 0 HG23 VAL A 122 -9.389 -1.689 5.406 1.00 61.20 H new ATOM 1828 N SER A 123 -11.009 -3.657 2.670 1.00 52.01 N ATOM 1829 CA SER A 123 -12.431 -3.650 2.456 1.00 34.22 C ATOM 1830 C SER A 123 -13.100 -4.528 3.497 1.00 42.24 C ATOM 1831 O SER A 123 -12.482 -5.447 4.036 1.00 33.31 O ATOM 1832 CB SER A 123 -12.752 -4.152 1.047 1.00 53.41 C ATOM 1833 OG SER A 123 -11.969 -3.493 0.064 1.00 61.42 O ATOM 0 H SER A 123 -10.584 -4.583 2.630 1.00 52.01 H new ATOM 0 HA SER A 123 -12.809 -2.632 2.552 1.00 34.22 H new ATOM 0 HB2 SER A 123 -12.574 -5.226 0.994 1.00 53.41 H new ATOM 0 HB3 SER A 123 -13.810 -3.993 0.836 1.00 53.41 H new ATOM 0 HG SER A 123 -12.199 -3.839 -0.823 1.00 61.42 H new ATOM 1839 N ASN A 124 -14.350 -4.223 3.783 1.00 72.21 N ATOM 1840 CA ASN A 124 -15.146 -4.948 4.755 1.00 55.00 C ATOM 1841 C ASN A 124 -16.591 -4.962 4.245 1.00 34.54 C ATOM 1842 O ASN A 124 -16.883 -4.342 3.219 1.00 22.42 O ATOM 1843 CB ASN A 124 -14.996 -4.241 6.127 1.00 3.41 C ATOM 1844 CG ASN A 124 -15.644 -4.943 7.309 1.00 74.34 C ATOM 1845 OD1 ASN A 124 -16.778 -4.639 7.668 1.00 25.44 O ATOM 1846 ND2 ASN A 124 -14.929 -5.869 7.921 1.00 53.41 N ATOM 0 H ASN A 124 -14.850 -3.452 3.340 1.00 72.21 H new ATOM 0 HA ASN A 124 -14.822 -5.981 4.884 1.00 55.00 H new ATOM 0 HB2 ASN A 124 -13.933 -4.121 6.338 1.00 3.41 H new ATOM 0 HB3 ASN A 124 -15.420 -3.240 6.047 1.00 3.41 H new ATOM 0 HD21 ASN A 124 -15.315 -6.363 8.725 1.00 53.41 H new ATOM 0 HD22 ASN A 124 -13.990 -6.090 7.589 1.00 53.41 H new ATOM 1853 N GLU A 125 -17.486 -5.656 4.945 1.00 31.42 N ATOM 1854 CA GLU A 125 -18.912 -5.707 4.596 1.00 32.23 C ATOM 1855 C GLU A 125 -19.639 -4.392 4.934 1.00 11.05 C ATOM 1856 O GLU A 125 -20.774 -4.171 4.508 1.00 1.33 O ATOM 1857 CB GLU A 125 -19.567 -6.885 5.332 1.00 32.15 C ATOM 1858 CG GLU A 125 -19.329 -6.890 6.843 1.00 41.14 C ATOM 1859 CD GLU A 125 -19.836 -8.146 7.518 1.00 54.45 C ATOM 1860 OE1 GLU A 125 -19.064 -9.120 7.627 1.00 73.35 O ATOM 1861 OE2 GLU A 125 -21.007 -8.169 7.934 1.00 74.00 O ATOM 0 H GLU A 125 -17.246 -6.202 5.773 1.00 31.42 H new ATOM 0 HA GLU A 125 -18.995 -5.847 3.518 1.00 32.23 H new ATOM 0 HB2 GLU A 125 -20.641 -6.864 5.145 1.00 32.15 H new ATOM 0 HB3 GLU A 125 -19.188 -7.817 4.913 1.00 32.15 H new ATOM 0 HG2 GLU A 125 -18.262 -6.785 7.037 1.00 41.14 H new ATOM 0 HG3 GLU A 125 -19.820 -6.023 7.285 1.00 41.14 H new ATOM 1868 N ASN A 126 -18.965 -3.530 5.690 1.00 62.45 N ATOM 1869 CA ASN A 126 -19.523 -2.261 6.131 1.00 61.43 C ATOM 1870 C ASN A 126 -18.996 -1.101 5.297 1.00 54.44 C ATOM 1871 O ASN A 126 -19.771 -0.358 4.696 1.00 44.53 O ATOM 1872 CB ASN A 126 -19.175 -2.042 7.602 1.00 72.32 C ATOM 1873 CG ASN A 126 -19.891 -3.015 8.509 1.00 24.44 C ATOM 1874 OD1 ASN A 126 -21.064 -3.321 8.311 1.00 64.01 O ATOM 1875 ND2 ASN A 126 -19.182 -3.543 9.486 1.00 64.13 N ATOM 0 H ASN A 126 -18.012 -3.695 6.014 1.00 62.45 H new ATOM 0 HA ASN A 126 -20.605 -2.298 6.004 1.00 61.43 H new ATOM 0 HB2 ASN A 126 -18.099 -2.146 7.738 1.00 72.32 H new ATOM 0 HB3 ASN A 126 -19.436 -1.023 7.887 1.00 72.32 H new ATOM 0 HD21 ASN A 126 -19.605 -4.231 10.109 1.00 64.13 H new ATOM 0 HD22 ASN A 126 -18.210 -3.264 9.619 1.00 64.13 H new ATOM 1882 N ASP A 127 -17.672 -0.966 5.257 1.00 33.55 N ATOM 1883 CA ASP A 127 -17.024 0.193 4.651 1.00 3.10 C ATOM 1884 C ASP A 127 -15.619 -0.196 4.188 1.00 63.34 C ATOM 1885 O ASP A 127 -15.196 -1.338 4.380 1.00 4.11 O ATOM 1886 CB ASP A 127 -16.988 1.347 5.680 1.00 3.33 C ATOM 1887 CG ASP A 127 -16.695 2.711 5.080 1.00 3.22 C ATOM 1888 OD1 ASP A 127 -17.108 2.964 3.936 1.00 3.11 O ATOM 1889 OD2 ASP A 127 -16.042 3.531 5.759 1.00 12.40 O ATOM 0 H ASP A 127 -17.023 -1.652 5.641 1.00 33.55 H new ATOM 0 HA ASP A 127 -17.582 0.532 3.778 1.00 3.10 H new ATOM 0 HB2 ASP A 127 -17.947 1.388 6.196 1.00 3.33 H new ATOM 0 HB3 ASP A 127 -16.231 1.124 6.432 1.00 3.33 H new ATOM 1894 N SER A 128 -14.911 0.726 3.555 1.00 4.02 N ATOM 1895 CA SER A 128 -13.520 0.512 3.180 1.00 60.01 C ATOM 1896 C SER A 128 -12.654 1.663 3.701 1.00 24.44 C ATOM 1897 O SER A 128 -13.136 2.788 3.845 1.00 14.25 O ATOM 1898 CB SER A 128 -13.391 0.357 1.654 1.00 10.11 C ATOM 1899 OG SER A 128 -14.080 1.393 0.976 1.00 73.13 O ATOM 0 H SER A 128 -15.280 1.638 3.288 1.00 4.02 H new ATOM 0 HA SER A 128 -13.166 -0.412 3.636 1.00 60.01 H new ATOM 0 HB2 SER A 128 -12.338 0.371 1.372 1.00 10.11 H new ATOM 0 HB3 SER A 128 -13.790 -0.610 1.349 1.00 10.11 H new ATOM 0 HG SER A 128 -13.981 1.273 0.008 1.00 73.13 H new ATOM 1905 N ASP A 129 -11.392 1.373 4.012 1.00 71.32 N ATOM 1906 CA ASP A 129 -10.463 2.387 4.530 1.00 74.34 C ATOM 1907 C ASP A 129 -9.109 2.233 3.848 1.00 33.35 C ATOM 1908 O ASP A 129 -8.649 1.110 3.644 1.00 64.45 O ATOM 1909 CB ASP A 129 -10.310 2.242 6.052 1.00 44.24 C ATOM 1910 CG ASP A 129 -9.603 3.421 6.701 1.00 44.23 C ATOM 1911 OD1 ASP A 129 -10.246 4.478 6.884 1.00 10.23 O ATOM 1912 OD2 ASP A 129 -8.400 3.299 7.020 1.00 65.31 O ATOM 0 H ASP A 129 -10.984 0.443 3.915 1.00 71.32 H new ATOM 0 HA ASP A 129 -10.862 3.379 4.317 1.00 74.34 H new ATOM 0 HB2 ASP A 129 -11.297 2.128 6.500 1.00 44.24 H new ATOM 0 HB3 ASP A 129 -9.754 1.330 6.269 1.00 44.24 H new ATOM 1917 N SER A 130 -8.481 3.350 3.486 1.00 34.31 N ATOM 1918 CA SER A 130 -7.203 3.311 2.788 1.00 44.20 C ATOM 1919 C SER A 130 -6.137 4.181 3.455 1.00 22.51 C ATOM 1920 O SER A 130 -6.430 5.239 4.022 1.00 53.22 O ATOM 1921 CB SER A 130 -7.388 3.755 1.334 1.00 21.45 C ATOM 1922 OG SER A 130 -8.009 5.027 1.254 1.00 73.03 O ATOM 0 H SER A 130 -8.837 4.289 3.665 1.00 34.31 H new ATOM 0 HA SER A 130 -6.853 2.280 2.828 1.00 44.20 H new ATOM 0 HB2 SER A 130 -6.418 3.790 0.837 1.00 21.45 H new ATOM 0 HB3 SER A 130 -7.992 3.020 0.802 1.00 21.45 H new ATOM 0 HG SER A 130 -8.111 5.283 0.313 1.00 73.03 H new ATOM 1928 N ALA A 131 -4.898 3.707 3.373 1.00 21.23 N ATOM 1929 CA ALA A 131 -3.722 4.474 3.757 1.00 40.34 C ATOM 1930 C ALA A 131 -2.689 4.362 2.645 1.00 45.13 C ATOM 1931 O ALA A 131 -2.486 3.277 2.085 1.00 62.51 O ATOM 1932 CB ALA A 131 -3.150 3.981 5.080 1.00 40.31 C ATOM 0 H ALA A 131 -4.682 2.770 3.034 1.00 21.23 H new ATOM 0 HA ALA A 131 -4.000 5.518 3.899 1.00 40.34 H new ATOM 0 HB1 ALA A 131 -2.273 4.573 5.340 1.00 40.31 H new ATOM 0 HB2 ALA A 131 -3.902 4.083 5.862 1.00 40.31 H new ATOM 0 HB3 ALA A 131 -2.865 2.933 4.985 1.00 40.31 H new ATOM 1938 N SER A 132 -2.052 5.471 2.307 1.00 3.50 N ATOM 1939 CA SER A 132 -1.165 5.507 1.158 1.00 23.53 C ATOM 1940 C SER A 132 0.109 6.285 1.475 1.00 24.22 C ATOM 1941 O SER A 132 0.121 7.136 2.367 1.00 11.20 O ATOM 1942 CB SER A 132 -1.904 6.138 -0.030 1.00 63.03 C ATOM 1943 OG SER A 132 -1.173 5.999 -1.236 1.00 32.53 O ATOM 0 H SER A 132 -2.132 6.355 2.810 1.00 3.50 H new ATOM 0 HA SER A 132 -0.872 4.489 0.902 1.00 23.53 H new ATOM 0 HB2 SER A 132 -2.882 5.669 -0.141 1.00 63.03 H new ATOM 0 HB3 SER A 132 -2.078 7.195 0.170 1.00 63.03 H new ATOM 0 HG SER A 132 -0.603 5.204 -1.183 1.00 32.53 H new ATOM 1949 N VAL A 133 1.178 5.975 0.750 1.00 21.32 N ATOM 1950 CA VAL A 133 2.429 6.703 0.873 1.00 11.30 C ATOM 1951 C VAL A 133 3.037 6.926 -0.524 1.00 61.11 C ATOM 1952 O VAL A 133 2.970 6.050 -1.401 1.00 61.15 O ATOM 1953 CB VAL A 133 3.426 5.983 1.845 1.00 20.03 C ATOM 1954 CG1 VAL A 133 3.862 4.615 1.330 1.00 30.02 C ATOM 1955 CG2 VAL A 133 4.640 6.854 2.155 1.00 40.32 C ATOM 0 H VAL A 133 1.199 5.218 0.067 1.00 21.32 H new ATOM 0 HA VAL A 133 2.226 7.677 1.317 1.00 11.30 H new ATOM 0 HB VAL A 133 2.878 5.819 2.773 1.00 20.03 H new ATOM 0 HG11 VAL A 133 4.552 4.161 2.042 1.00 30.02 H new ATOM 0 HG12 VAL A 133 2.988 3.975 1.213 1.00 30.02 H new ATOM 0 HG13 VAL A 133 4.359 4.730 0.367 1.00 30.02 H new ATOM 0 HG21 VAL A 133 5.307 6.320 2.832 1.00 40.32 H new ATOM 0 HG22 VAL A 133 5.169 7.084 1.230 1.00 40.32 H new ATOM 0 HG23 VAL A 133 4.312 7.781 2.625 1.00 40.32 H new ATOM 1965 N THR A 134 3.545 8.136 -0.744 1.00 61.10 N ATOM 1966 CA THR A 134 4.220 8.486 -1.981 1.00 73.55 C ATOM 1967 C THR A 134 5.659 7.973 -1.963 1.00 0.03 C ATOM 1968 O THR A 134 6.442 8.293 -1.064 1.00 64.41 O ATOM 1969 CB THR A 134 4.196 10.016 -2.210 1.00 53.24 C ATOM 1970 OG1 THR A 134 2.849 10.496 -2.117 1.00 33.33 O ATOM 1971 CG2 THR A 134 4.766 10.390 -3.574 1.00 64.44 C ATOM 0 H THR A 134 3.498 8.898 -0.067 1.00 61.10 H new ATOM 0 HA THR A 134 3.688 8.011 -2.806 1.00 73.55 H new ATOM 0 HB THR A 134 4.817 10.477 -1.442 1.00 53.24 H new ATOM 0 HG1 THR A 134 2.836 11.465 -2.261 1.00 33.33 H new ATOM 0 HG21 THR A 134 4.732 11.472 -3.698 1.00 64.44 H new ATOM 0 HG22 THR A 134 5.799 10.049 -3.643 1.00 64.44 H new ATOM 0 HG23 THR A 134 4.175 9.916 -4.358 1.00 64.44 H new ATOM 1979 N ILE A 135 5.976 7.158 -2.957 1.00 13.33 N ATOM 1980 CA ILE A 135 7.291 6.548 -3.093 1.00 23.11 C ATOM 1981 C ILE A 135 8.110 7.337 -4.108 1.00 24.31 C ATOM 1982 O ILE A 135 7.649 7.590 -5.226 1.00 13.23 O ATOM 1983 CB ILE A 135 7.177 5.064 -3.565 1.00 11.00 C ATOM 1984 CG1 ILE A 135 6.192 4.269 -2.686 1.00 33.54 C ATOM 1985 CG2 ILE A 135 8.542 4.368 -3.604 1.00 63.20 C ATOM 1986 CD1 ILE A 135 6.548 4.219 -1.208 1.00 12.22 C ATOM 0 H ILE A 135 5.324 6.899 -3.697 1.00 13.33 H new ATOM 0 HA ILE A 135 7.780 6.563 -2.119 1.00 23.11 H new ATOM 0 HB ILE A 135 6.787 5.087 -4.583 1.00 11.00 H new ATOM 0 HG12 ILE A 135 5.199 4.707 -2.791 1.00 33.54 H new ATOM 0 HG13 ILE A 135 6.132 3.249 -3.065 1.00 33.54 H new ATOM 0 HG21 ILE A 135 8.416 3.338 -3.938 1.00 63.20 H new ATOM 0 HG22 ILE A 135 9.200 4.895 -4.295 1.00 63.20 H new ATOM 0 HG23 ILE A 135 8.983 4.375 -2.607 1.00 63.20 H new ATOM 0 HD11 ILE A 135 5.797 3.638 -0.672 1.00 12.22 H new ATOM 0 HD12 ILE A 135 7.525 3.751 -1.085 1.00 12.22 H new ATOM 0 HD13 ILE A 135 6.578 5.232 -0.806 1.00 12.22 H new ATOM 1998 N ARG A 136 9.314 7.734 -3.719 1.00 44.52 N ATOM 1999 CA ARG A 136 10.211 8.424 -4.628 1.00 1.01 C ATOM 2000 C ARG A 136 11.414 7.558 -4.948 1.00 42.10 C ATOM 2001 O ARG A 136 12.161 7.148 -4.056 1.00 3.24 O ATOM 2002 CB ARG A 136 10.673 9.757 -4.047 1.00 1.22 C ATOM 2003 CG ARG A 136 9.676 10.889 -4.204 1.00 10.14 C ATOM 2004 CD ARG A 136 10.248 12.174 -3.637 1.00 42.22 C ATOM 2005 NE ARG A 136 9.440 13.358 -3.943 1.00 22.01 N ATOM 2006 CZ ARG A 136 9.791 14.606 -3.603 1.00 52.01 C ATOM 2007 NH1 ARG A 136 10.871 14.822 -2.854 1.00 41.43 N ATOM 2008 NH2 ARG A 136 9.049 15.634 -3.988 1.00 3.22 N ATOM 0 H ARG A 136 9.689 7.589 -2.782 1.00 44.52 H new ATOM 0 HA ARG A 136 9.659 8.623 -5.547 1.00 1.01 H new ATOM 0 HB2 ARG A 136 10.887 9.622 -2.987 1.00 1.22 H new ATOM 0 HB3 ARG A 136 11.608 10.044 -4.527 1.00 1.22 H new ATOM 0 HG2 ARG A 136 9.432 11.025 -5.258 1.00 10.14 H new ATOM 0 HG3 ARG A 136 8.747 10.639 -3.692 1.00 10.14 H new ATOM 0 HD2 ARG A 136 10.339 12.076 -2.555 1.00 42.22 H new ATOM 0 HD3 ARG A 136 11.254 12.319 -4.030 1.00 42.22 H new ATOM 0 HE ARG A 136 8.561 13.225 -4.443 1.00 22.01 H new ATOM 0 HH11 ARG A 136 11.437 14.035 -2.536 1.00 41.43 H new ATOM 0 HH12 ARG A 136 11.133 15.774 -2.599 1.00 41.43 H new ATOM 0 HH21 ARG A 136 8.209 15.476 -4.544 1.00 3.22 H new ATOM 0 HH22 ARG A 136 9.318 16.583 -3.728 1.00 3.22 H new ATOM 2022 N ALA A 137 11.584 7.279 -6.229 1.00 1.44 N ATOM 2023 CA ALA A 137 12.734 6.549 -6.711 1.00 13.22 C ATOM 2024 C ALA A 137 13.616 7.494 -7.513 1.00 61.52 C ATOM 2025 O ALA A 137 13.249 7.940 -8.603 1.00 0.35 O ATOM 2026 CB ALA A 137 12.292 5.349 -7.541 1.00 10.12 C ATOM 0 H ALA A 137 10.927 7.554 -6.960 1.00 1.44 H new ATOM 0 HA ALA A 137 13.310 6.163 -5.870 1.00 13.22 H new ATOM 0 HB1 ALA A 137 13.170 4.810 -7.897 1.00 10.12 H new ATOM 0 HB2 ALA A 137 11.683 4.686 -6.926 1.00 10.12 H new ATOM 0 HB3 ALA A 137 11.707 5.692 -8.394 1.00 10.12 H new ATOM 2032 N LEU A 138 14.770 7.816 -6.956 1.00 73.45 N ATOM 2033 CA LEU A 138 15.669 8.793 -7.553 1.00 35.34 C ATOM 2034 C LEU A 138 16.624 8.119 -8.519 1.00 4.51 C ATOM 2035 O LEU A 138 17.084 6.997 -8.276 1.00 63.33 O ATOM 2036 CB LEU A 138 16.442 9.564 -6.474 1.00 61.05 C ATOM 2037 CG LEU A 138 15.580 10.423 -5.538 1.00 13.43 C ATOM 2038 CD1 LEU A 138 16.437 11.047 -4.455 1.00 24.41 C ATOM 2039 CD2 LEU A 138 14.843 11.505 -6.312 1.00 30.31 C ATOM 0 H LEU A 138 15.110 7.412 -6.083 1.00 73.45 H new ATOM 0 HA LEU A 138 15.066 9.510 -8.110 1.00 35.34 H new ATOM 0 HB2 LEU A 138 17.003 8.849 -5.871 1.00 61.05 H new ATOM 0 HB3 LEU A 138 17.171 10.209 -6.964 1.00 61.05 H new ATOM 0 HG LEU A 138 14.839 9.773 -5.072 1.00 13.43 H new ATOM 0 HD11 LEU A 138 15.811 11.653 -3.800 1.00 24.41 H new ATOM 0 HD12 LEU A 138 16.917 10.261 -3.873 1.00 24.41 H new ATOM 0 HD13 LEU A 138 17.200 11.677 -4.912 1.00 24.41 H new ATOM 0 HD21 LEU A 138 14.240 12.098 -5.624 1.00 30.31 H new ATOM 0 HD22 LEU A 138 15.565 12.151 -6.811 1.00 30.31 H new ATOM 0 HD23 LEU A 138 14.195 11.042 -7.056 1.00 30.31 H new