USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 643 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 23 HIS : no HD1:sc= -0.0722 X(o=-0.072,f=-0.011) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 42:sc= 0.0151 USER MOD Single : A 36 CYS SG : rot 6:sc= 1.08 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 50 SER OG : rot 22:sc= 0.8 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.123) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc=-0.00159 K(o=-0.0016,f=-1.6) USER MOD Single : A 67 THR OG1 : rot -30:sc= 0.121 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 72 TYR OH : rot 173:sc= 0.103 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 163:sc= -4.48! (180deg=-5.53!) USER MOD Single : A 80 TYR OH : rot 161:sc= 0.339 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -110:sc= -0.508 (180deg=-3.91!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -4.22! C(o=-4.2!,f=-4.5!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N PHE A 9 12.260 16.393 5.975 1.00 0.00 N ATOM 81 CA PHE A 9 11.554 15.134 5.764 1.00 0.00 C ATOM 82 C PHE A 9 10.138 15.203 6.330 1.00 0.00 C ATOM 83 O PHE A 9 9.916 15.751 7.410 1.00 0.00 O ATOM 84 CB PHE A 9 12.319 13.980 6.415 1.00 0.00 C ATOM 85 CG PHE A 9 11.441 12.832 6.822 1.00 0.00 C ATOM 86 CD1 PHE A 9 11.110 11.839 5.914 1.00 0.00 C ATOM 87 CD2 PHE A 9 10.946 12.746 8.114 1.00 0.00 C ATOM 88 CE1 PHE A 9 10.302 10.781 6.286 1.00 0.00 C ATOM 89 CE2 PHE A 9 10.138 11.690 8.491 1.00 0.00 C ATOM 90 CZ PHE A 9 9.814 10.707 7.576 1.00 0.00 C ATOM 0 HA PHE A 9 11.490 14.958 4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.076 13.619 5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.845 14.353 7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.488 11.892 4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.194 13.512 8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.053 10.013 5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.760 11.633 9.501 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.181 9.883 7.869 1.00 0.00 H new ATOM 100 N ASP A 10 9.185 14.644 5.593 1.00 0.00 N ATOM 101 CA ASP A 10 7.791 14.641 6.020 1.00 0.00 C ATOM 102 C ASP A 10 6.992 13.586 5.260 1.00 0.00 C ATOM 103 O ASP A 10 6.767 13.692 4.055 1.00 0.00 O ATOM 104 CB ASP A 10 7.167 16.021 5.808 1.00 0.00 C ATOM 105 CG ASP A 10 6.045 16.306 6.787 1.00 0.00 C ATOM 106 OD1 ASP A 10 4.965 15.693 6.646 1.00 0.00 O ATOM 107 OD2 ASP A 10 6.246 17.140 7.694 1.00 0.00 O ATOM 0 H ASP A 10 9.352 14.187 4.697 1.00 0.00 H new ATOM 0 HA ASP A 10 7.763 14.397 7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.938 16.785 5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.783 16.091 4.790 1.00 0.00 H new ATOM 112 N PRO A 11 6.554 12.543 5.981 1.00 0.00 N ATOM 113 CA PRO A 11 5.774 11.448 5.395 1.00 0.00 C ATOM 114 C PRO A 11 4.370 11.887 4.994 1.00 0.00 C ATOM 115 O PRO A 11 3.754 11.295 4.108 1.00 0.00 O ATOM 116 CB PRO A 11 5.710 10.415 6.523 1.00 0.00 C ATOM 117 CG PRO A 11 5.873 11.209 7.773 1.00 0.00 C ATOM 118 CD PRO A 11 6.785 12.352 7.422 1.00 0.00 C ATOM 0 HA PRO A 11 6.226 11.070 4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.761 9.879 6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.498 9.669 6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.911 11.574 8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.300 10.600 8.569 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.541 13.250 7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.827 12.114 7.634 1.00 0.00 H new ATOM 126 N SER A 12 3.870 12.928 5.652 1.00 0.00 N ATOM 127 CA SER A 12 2.536 13.444 5.366 1.00 0.00 C ATOM 128 C SER A 12 2.469 14.026 3.957 1.00 0.00 C ATOM 129 O SER A 12 1.429 13.976 3.300 1.00 0.00 O ATOM 130 CB SER A 12 2.149 14.512 6.390 1.00 0.00 C ATOM 131 OG SER A 12 0.741 14.605 6.523 1.00 0.00 O ATOM 0 H SER A 12 4.368 13.431 6.387 1.00 0.00 H new ATOM 0 HA SER A 12 1.831 12.615 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.594 14.272 7.356 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.553 15.477 6.084 1.00 0.00 H new ATOM 0 HG SER A 12 0.520 15.293 7.184 1.00 0.00 H new ATOM 137 N LYS A 13 3.587 14.577 3.498 1.00 0.00 N ATOM 138 CA LYS A 13 3.659 15.168 2.167 1.00 0.00 C ATOM 139 C LYS A 13 3.512 14.100 1.088 1.00 0.00 C ATOM 140 O LYS A 13 3.287 14.411 -0.081 1.00 0.00 O ATOM 141 CB LYS A 13 4.985 15.911 1.987 1.00 0.00 C ATOM 142 CG LYS A 13 5.230 16.981 3.037 1.00 0.00 C ATOM 143 CD LYS A 13 4.501 18.271 2.699 1.00 0.00 C ATOM 144 CE LYS A 13 4.144 19.054 3.953 1.00 0.00 C ATOM 145 NZ LYS A 13 3.840 20.480 3.648 1.00 0.00 N ATOM 0 H LYS A 13 4.457 14.627 4.029 1.00 0.00 H new ATOM 0 HA LYS A 13 2.836 15.876 2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.802 15.191 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.002 16.372 0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.899 16.619 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.299 17.176 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.127 18.885 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.593 18.042 2.141 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.282 18.594 4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.971 19.002 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.601 20.980 4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.671 20.926 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.035 20.531 2.992 1.00 0.00 H new ATOM 159 N VAL A 14 3.641 12.839 1.489 1.00 0.00 N ATOM 160 CA VAL A 14 3.520 11.724 0.558 1.00 0.00 C ATOM 161 C VAL A 14 2.057 11.386 0.293 1.00 0.00 C ATOM 162 O VAL A 14 1.258 11.266 1.221 1.00 0.00 O ATOM 163 CB VAL A 14 4.238 10.469 1.088 1.00 0.00 C ATOM 164 CG1 VAL A 14 4.093 9.316 0.106 1.00 0.00 C ATOM 165 CG2 VAL A 14 5.704 10.769 1.358 1.00 0.00 C ATOM 0 H VAL A 14 3.829 12.564 2.453 1.00 0.00 H new ATOM 0 HA VAL A 14 3.992 12.037 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 14 3.772 10.174 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.607 8.438 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.036 9.087 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.532 9.596 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.196 9.871 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.186 11.089 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.782 11.562 2.102 1.00 0.00 H new ATOM 175 N VAL A 15 1.712 11.232 -0.982 1.00 0.00 N ATOM 176 CA VAL A 15 0.345 10.905 -1.370 1.00 0.00 C ATOM 177 C VAL A 15 0.296 9.605 -2.164 1.00 0.00 C ATOM 178 O VAL A 15 0.889 9.498 -3.237 1.00 0.00 O ATOM 179 CB VAL A 15 -0.284 12.032 -2.211 1.00 0.00 C ATOM 180 CG1 VAL A 15 -1.717 11.684 -2.584 1.00 0.00 C ATOM 181 CG2 VAL A 15 -0.226 13.353 -1.459 1.00 0.00 C ATOM 0 H VAL A 15 2.360 11.329 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.226 10.787 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 15 0.290 12.138 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.145 12.492 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.728 10.762 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.306 11.549 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.675 14.138 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.775 13.262 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.813 13.606 -1.248 1.00 0.00 H new ATOM 191 N ALA A 16 -0.417 8.618 -1.630 1.00 0.00 N ATOM 192 CA ALA A 16 -0.546 7.325 -2.290 1.00 0.00 C ATOM 193 C ALA A 16 -1.977 7.091 -2.762 1.00 0.00 C ATOM 194 O ALA A 16 -2.930 7.291 -2.010 1.00 0.00 O ATOM 195 CB ALA A 16 -0.108 6.208 -1.354 1.00 0.00 C ATOM 0 H ALA A 16 -0.914 8.690 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 16 0.103 7.325 -3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.210 5.248 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.933 6.359 -1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.733 6.215 -0.461 1.00 0.00 H new ATOM 201 N SER A 17 -2.120 6.667 -4.014 1.00 0.00 N ATOM 202 CA SER A 17 -3.436 6.410 -4.589 1.00 0.00 C ATOM 203 C SER A 17 -3.386 5.230 -5.554 1.00 0.00 C ATOM 204 O SER A 17 -2.337 4.617 -5.749 1.00 0.00 O ATOM 205 CB SER A 17 -3.951 7.655 -5.313 1.00 0.00 C ATOM 206 OG SER A 17 -5.338 7.550 -5.585 1.00 0.00 O ATOM 0 H SER A 17 -1.341 6.494 -4.649 1.00 0.00 H new ATOM 0 HA SER A 17 -4.119 6.163 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.763 8.538 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.403 7.790 -6.246 1.00 0.00 H new ATOM 0 HG SER A 17 -5.643 8.359 -6.047 1.00 0.00 H new ATOM 212 N GLY A 18 -4.529 4.918 -6.158 1.00 0.00 N ATOM 213 CA GLY A 18 -4.595 3.813 -7.096 1.00 0.00 C ATOM 214 C GLY A 18 -5.764 2.888 -6.821 1.00 0.00 C ATOM 215 O GLY A 18 -6.411 2.964 -5.776 1.00 0.00 O ATOM 0 H GLY A 18 -5.410 5.411 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.677 4.205 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.666 3.244 -7.048 1.00 0.00 H new ATOM 219 N PRO A 19 -6.052 1.991 -7.776 1.00 0.00 N ATOM 220 CA PRO A 19 -7.153 1.032 -7.655 1.00 0.00 C ATOM 221 C PRO A 19 -6.880 -0.034 -6.599 1.00 0.00 C ATOM 222 O PRO A 19 -7.806 -0.629 -6.050 1.00 0.00 O ATOM 223 CB PRO A 19 -7.227 0.399 -9.047 1.00 0.00 C ATOM 224 CG PRO A 19 -5.855 0.554 -9.606 1.00 0.00 C ATOM 225 CD PRO A 19 -5.323 1.845 -9.047 1.00 0.00 C ATOM 0 HA PRO A 19 -8.079 1.513 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.515 -0.651 -8.990 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.968 0.899 -9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.221 -0.285 -9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.878 0.581 -10.695 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.245 1.801 -8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.513 2.682 -9.718 1.00 0.00 H new ATOM 233 N GLY A 20 -5.601 -0.270 -6.319 1.00 0.00 N ATOM 234 CA GLY A 20 -5.229 -1.263 -5.329 1.00 0.00 C ATOM 235 C GLY A 20 -5.673 -0.883 -3.931 1.00 0.00 C ATOM 236 O GLY A 20 -5.913 -1.751 -3.090 1.00 0.00 O ATOM 0 H GLY A 20 -4.816 0.209 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.670 -2.223 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.147 -1.395 -5.340 1.00 0.00 H new ATOM 240 N LEU A 21 -5.781 0.417 -3.679 1.00 0.00 N ATOM 241 CA LEU A 21 -6.198 0.911 -2.371 1.00 0.00 C ATOM 242 C LEU A 21 -7.719 0.946 -2.261 1.00 0.00 C ATOM 243 O LEU A 21 -8.267 1.310 -1.222 1.00 0.00 O ATOM 244 CB LEU A 21 -5.625 2.308 -2.126 1.00 0.00 C ATOM 245 CG LEU A 21 -4.239 2.361 -1.482 1.00 0.00 C ATOM 246 CD1 LEU A 21 -3.510 3.632 -1.889 1.00 0.00 C ATOM 247 CD2 LEU A 21 -4.351 2.270 0.033 1.00 0.00 C ATOM 0 H LEU A 21 -5.586 1.148 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.814 0.229 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.581 2.833 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.320 2.858 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.662 1.506 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.526 3.653 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.397 3.656 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.084 4.500 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.355 2.309 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.946 3.104 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.832 1.331 0.307 1.00 0.00 H new ATOM 259 N GLU A 22 -8.394 0.563 -3.341 1.00 0.00 N ATOM 260 CA GLU A 22 -9.852 0.549 -3.364 1.00 0.00 C ATOM 261 C GLU A 22 -10.383 -0.881 -3.375 1.00 0.00 C ATOM 262 O GLU A 22 -11.448 -1.164 -2.826 1.00 0.00 O ATOM 263 CB GLU A 22 -10.371 1.307 -4.588 1.00 0.00 C ATOM 264 CG GLU A 22 -9.779 2.698 -4.739 1.00 0.00 C ATOM 265 CD GLU A 22 -10.698 3.646 -5.483 1.00 0.00 C ATOM 266 OE1 GLU A 22 -11.640 4.173 -4.854 1.00 0.00 O ATOM 267 OE2 GLU A 22 -10.477 3.861 -6.693 1.00 0.00 O ATOM 0 H GLU A 22 -7.955 0.259 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.209 1.043 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.149 0.728 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.456 1.388 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.564 3.106 -3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.829 2.629 -5.269 1.00 0.00 H new ATOM 274 N HIS A 23 -9.633 -1.780 -4.005 1.00 0.00 N ATOM 275 CA HIS A 23 -10.027 -3.182 -4.088 1.00 0.00 C ATOM 276 C HIS A 23 -8.914 -4.024 -4.704 1.00 0.00 C ATOM 277 O HIS A 23 -7.917 -3.492 -5.191 1.00 0.00 O ATOM 278 CB HIS A 23 -11.307 -3.325 -4.912 1.00 0.00 C ATOM 279 CG HIS A 23 -11.110 -3.070 -6.374 1.00 0.00 C ATOM 280 ND1 HIS A 23 -11.439 -3.987 -7.350 1.00 0.00 N ATOM 281 CD2 HIS A 23 -10.615 -1.991 -7.026 1.00 0.00 C ATOM 282 CE1 HIS A 23 -11.154 -3.485 -8.538 1.00 0.00 C ATOM 283 NE2 HIS A 23 -10.653 -2.274 -8.369 1.00 0.00 N ATOM 0 H HIS A 23 -8.749 -1.562 -4.465 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.213 -3.543 -3.076 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.705 -4.331 -4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.056 -2.632 -4.528 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -10.257 -1.078 -6.574 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.305 -3.980 -9.486 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.345 -1.651 -9.115 1.00 0.00 H new ATOM 292 N GLY A 24 -9.092 -5.341 -4.679 1.00 0.00 N ATOM 293 CA GLY A 24 -8.094 -6.235 -5.237 1.00 0.00 C ATOM 294 C GLY A 24 -8.679 -7.571 -5.651 1.00 0.00 C ATOM 295 O GLY A 24 -9.824 -7.884 -5.323 1.00 0.00 O ATOM 0 H GLY A 24 -9.909 -5.805 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.630 -5.762 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.306 -6.399 -4.502 1.00 0.00 H new ATOM 299 N LYS A 25 -7.893 -8.361 -6.374 1.00 0.00 N ATOM 300 CA LYS A 25 -8.339 -9.671 -6.835 1.00 0.00 C ATOM 301 C LYS A 25 -7.199 -10.683 -6.782 1.00 0.00 C ATOM 302 O LYS A 25 -6.055 -10.362 -7.107 1.00 0.00 O ATOM 303 CB LYS A 25 -8.884 -9.574 -8.261 1.00 0.00 C ATOM 304 CG LYS A 25 -9.905 -10.647 -8.596 1.00 0.00 C ATOM 305 CD LYS A 25 -10.246 -10.651 -10.077 1.00 0.00 C ATOM 306 CE LYS A 25 -11.555 -11.377 -10.346 1.00 0.00 C ATOM 307 NZ LYS A 25 -12.725 -10.460 -10.266 1.00 0.00 N ATOM 0 H LYS A 25 -6.943 -8.117 -6.654 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.134 -10.011 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.340 -8.594 -8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.054 -9.642 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.515 -11.624 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.812 -10.482 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.317 -9.625 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.442 -11.130 -10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.520 -11.835 -11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.677 -12.185 -9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.598 -10.993 -10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.774 -10.042 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.622 -9.703 -10.972 1.00 0.00 H new ATOM 321 N VAL A 26 -7.518 -11.906 -6.372 1.00 0.00 N ATOM 322 CA VAL A 26 -6.521 -12.966 -6.280 1.00 0.00 C ATOM 323 C VAL A 26 -5.749 -13.109 -7.586 1.00 0.00 C ATOM 324 O VAL A 26 -6.286 -13.579 -8.589 1.00 0.00 O ATOM 325 CB VAL A 26 -7.170 -14.318 -5.928 1.00 0.00 C ATOM 326 CG1 VAL A 26 -6.149 -15.441 -6.025 1.00 0.00 C ATOM 327 CG2 VAL A 26 -7.788 -14.266 -4.540 1.00 0.00 C ATOM 0 H VAL A 26 -8.459 -12.188 -6.098 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.832 -12.684 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.964 -14.519 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.625 -16.389 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.758 -15.490 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.331 -15.250 -5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.242 -15.229 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.014 -14.043 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.551 -13.489 -4.511 1.00 0.00 H new ATOM 337 N GLY A 27 -4.483 -12.701 -7.568 1.00 0.00 N ATOM 338 CA GLY A 27 -3.657 -12.793 -8.757 1.00 0.00 C ATOM 339 C GLY A 27 -3.428 -11.444 -9.410 1.00 0.00 C ATOM 340 O GLY A 27 -2.389 -11.216 -10.028 1.00 0.00 O ATOM 0 H GLY A 27 -4.015 -12.309 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.695 -13.234 -8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.130 -13.464 -9.473 1.00 0.00 H new ATOM 344 N GLU A 28 -4.402 -10.550 -9.273 1.00 0.00 N ATOM 345 CA GLU A 28 -4.302 -9.218 -9.858 1.00 0.00 C ATOM 346 C GLU A 28 -3.168 -8.425 -9.213 1.00 0.00 C ATOM 347 O GLU A 28 -2.534 -8.887 -8.265 1.00 0.00 O ATOM 348 CB GLU A 28 -5.623 -8.464 -9.694 1.00 0.00 C ATOM 349 CG GLU A 28 -6.627 -8.747 -10.799 1.00 0.00 C ATOM 350 CD GLU A 28 -6.182 -8.204 -12.144 1.00 0.00 C ATOM 351 OE1 GLU A 28 -6.018 -6.972 -12.260 1.00 0.00 O ATOM 352 OE2 GLU A 28 -6.000 -9.011 -13.079 1.00 0.00 O ATOM 0 H GLU A 28 -5.268 -10.723 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.086 -9.331 -10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.067 -8.730 -8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.419 -7.394 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.781 -9.823 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.588 -8.307 -10.533 1.00 0.00 H new ATOM 359 N ALA A 29 -2.919 -7.228 -9.735 1.00 0.00 N ATOM 360 CA ALA A 29 -1.864 -6.370 -9.211 1.00 0.00 C ATOM 361 C ALA A 29 -2.426 -5.033 -8.741 1.00 0.00 C ATOM 362 O ALA A 29 -2.933 -4.247 -9.540 1.00 0.00 O ATOM 363 CB ALA A 29 -0.789 -6.152 -10.265 1.00 0.00 C ATOM 0 H ALA A 29 -3.434 -6.831 -10.521 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.418 -6.869 -8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.007 -5.509 -9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.358 -7.112 -10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.230 -5.678 -11.142 1.00 0.00 H new ATOM 369 N GLY A 30 -2.334 -4.782 -7.439 1.00 0.00 N ATOM 370 CA GLY A 30 -2.838 -3.538 -6.886 1.00 0.00 C ATOM 371 C GLY A 30 -2.004 -2.341 -7.294 1.00 0.00 C ATOM 372 O GLY A 30 -0.994 -2.033 -6.660 1.00 0.00 O ATOM 0 H GLY A 30 -1.920 -5.417 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.867 -3.389 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.858 -3.609 -5.799 1.00 0.00 H new ATOM 376 N LEU A 31 -2.424 -1.664 -8.357 1.00 0.00 N ATOM 377 CA LEU A 31 -1.707 -0.493 -8.851 1.00 0.00 C ATOM 378 C LEU A 31 -1.695 0.619 -7.807 1.00 0.00 C ATOM 379 O LEU A 31 -2.748 1.103 -7.388 1.00 0.00 O ATOM 380 CB LEU A 31 -2.347 0.013 -10.145 1.00 0.00 C ATOM 381 CG LEU A 31 -2.376 -0.977 -11.311 1.00 0.00 C ATOM 382 CD1 LEU A 31 -3.291 -0.473 -12.416 1.00 0.00 C ATOM 383 CD2 LEU A 31 -0.971 -1.213 -11.845 1.00 0.00 C ATOM 0 H LEU A 31 -3.257 -1.906 -8.894 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.677 -0.787 -9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.371 0.316 -9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.812 0.907 -10.466 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.769 -1.926 -10.947 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.299 -1.190 -13.237 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.302 -0.356 -12.026 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.928 0.489 -12.778 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.011 -1.920 -12.674 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.551 -0.269 -12.193 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.344 -1.619 -11.052 1.00 0.00 H new ATOM 395 N LEU A 32 -0.499 1.022 -7.393 1.00 0.00 N ATOM 396 CA LEU A 32 -0.350 2.080 -6.399 1.00 0.00 C ATOM 397 C LEU A 32 0.662 3.123 -6.862 1.00 0.00 C ATOM 398 O LEU A 32 1.741 2.783 -7.347 1.00 0.00 O ATOM 399 CB LEU A 32 0.087 1.488 -5.058 1.00 0.00 C ATOM 400 CG LEU A 32 -0.829 0.416 -4.466 1.00 0.00 C ATOM 401 CD1 LEU A 32 -0.318 -0.030 -3.105 1.00 0.00 C ATOM 402 CD2 LEU A 32 -2.256 0.934 -4.359 1.00 0.00 C ATOM 0 H LEU A 32 0.382 0.633 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.317 2.569 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.082 1.060 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.175 2.300 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.826 -0.446 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.982 -0.793 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.686 -0.442 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.291 0.824 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.894 0.158 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.277 1.813 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.621 1.203 -5.350 1.00 0.00 H new ATOM 414 N SER A 33 0.306 4.394 -6.707 1.00 0.00 N ATOM 415 CA SER A 33 1.183 5.487 -7.110 1.00 0.00 C ATOM 416 C SER A 33 1.460 6.423 -5.937 1.00 0.00 C ATOM 417 O SER A 33 0.537 6.900 -5.277 1.00 0.00 O ATOM 418 CB SER A 33 0.557 6.271 -8.266 1.00 0.00 C ATOM 419 OG SER A 33 -0.815 6.530 -8.022 1.00 0.00 O ATOM 0 H SER A 33 -0.583 4.692 -6.306 1.00 0.00 H new ATOM 0 HA SER A 33 2.129 5.058 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.090 7.212 -8.402 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.665 5.707 -9.193 1.00 0.00 H new ATOM 0 HG SER A 33 -0.937 6.793 -7.086 1.00 0.00 H new ATOM 425 N VAL A 34 2.739 6.681 -5.684 1.00 0.00 N ATOM 426 CA VAL A 34 3.139 7.560 -4.592 1.00 0.00 C ATOM 427 C VAL A 34 3.834 8.811 -5.119 1.00 0.00 C ATOM 428 O VAL A 34 4.965 8.748 -5.603 1.00 0.00 O ATOM 429 CB VAL A 34 4.080 6.840 -3.607 1.00 0.00 C ATOM 430 CG1 VAL A 34 4.509 7.781 -2.492 1.00 0.00 C ATOM 431 CG2 VAL A 34 3.407 5.599 -3.040 1.00 0.00 C ATOM 0 H VAL A 34 3.516 6.294 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 34 2.228 7.848 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 34 4.973 6.527 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.173 7.254 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.033 8.636 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.629 8.128 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.085 5.102 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.497 5.887 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.156 4.917 -3.853 1.00 0.00 H new ATOM 441 N ASP A 35 3.151 9.946 -5.022 1.00 0.00 N ATOM 442 CA ASP A 35 3.703 11.213 -5.487 1.00 0.00 C ATOM 443 C ASP A 35 4.312 11.999 -4.330 1.00 0.00 C ATOM 444 O ASP A 35 3.594 12.517 -3.474 1.00 0.00 O ATOM 445 CB ASP A 35 2.618 12.046 -6.171 1.00 0.00 C ATOM 446 CG ASP A 35 3.176 12.945 -7.257 1.00 0.00 C ATOM 447 OD1 ASP A 35 3.754 13.999 -6.916 1.00 0.00 O ATOM 448 OD2 ASP A 35 3.036 12.595 -8.447 1.00 0.00 O ATOM 0 H ASP A 35 2.214 10.015 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 35 4.491 10.995 -6.208 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.871 11.380 -6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.108 12.656 -5.425 1.00 0.00 H new ATOM 453 N CYS A 36 5.637 12.081 -4.310 1.00 0.00 N ATOM 454 CA CYS A 36 6.343 12.802 -3.257 1.00 0.00 C ATOM 455 C CYS A 36 6.838 14.154 -3.761 1.00 0.00 C ATOM 456 O CYS A 36 7.493 14.239 -4.799 1.00 0.00 O ATOM 457 CB CYS A 36 7.521 11.973 -2.743 1.00 0.00 C ATOM 458 SG CYS A 36 9.046 12.193 -3.689 1.00 0.00 S ATOM 0 H CYS A 36 6.245 11.657 -5.011 1.00 0.00 H new ATOM 0 HA CYS A 36 5.645 12.974 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.710 12.236 -1.702 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.244 10.919 -2.760 1.00 0.00 H new ATOM 0 HG CYS A 36 8.873 13.123 -4.580 1.00 0.00 H new ATOM 464 N SER A 37 6.518 15.210 -3.019 1.00 0.00 N ATOM 465 CA SER A 37 6.926 16.559 -3.393 1.00 0.00 C ATOM 466 C SER A 37 7.937 17.117 -2.397 1.00 0.00 C ATOM 467 O SER A 37 9.083 17.394 -2.749 1.00 0.00 O ATOM 468 CB SER A 37 5.707 17.480 -3.471 1.00 0.00 C ATOM 469 OG SER A 37 4.873 17.318 -2.336 1.00 0.00 O ATOM 0 H SER A 37 5.978 15.157 -2.156 1.00 0.00 H new ATOM 0 HA SER A 37 7.399 16.510 -4.374 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.035 18.517 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.141 17.263 -4.377 1.00 0.00 H new ATOM 0 HG SER A 37 4.102 17.918 -2.408 1.00 0.00 H new ATOM 475 N GLU A 38 7.502 17.280 -1.151 1.00 0.00 N ATOM 476 CA GLU A 38 8.369 17.807 -0.103 1.00 0.00 C ATOM 477 C GLU A 38 8.602 16.763 0.985 1.00 0.00 C ATOM 478 O GLU A 38 8.958 17.097 2.115 1.00 0.00 O ATOM 479 CB GLU A 38 7.758 19.069 0.509 1.00 0.00 C ATOM 480 CG GLU A 38 8.135 20.345 -0.225 1.00 0.00 C ATOM 481 CD GLU A 38 9.539 20.814 0.105 1.00 0.00 C ATOM 482 OE1 GLU A 38 9.942 20.697 1.282 1.00 0.00 O ATOM 483 OE2 GLU A 38 10.234 21.300 -0.811 1.00 0.00 O ATOM 0 H GLU A 38 6.556 17.055 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 38 9.329 18.059 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.672 18.971 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.077 19.150 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.054 20.179 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.424 21.131 0.031 1.00 0.00 H new ATOM 490 N ALA A 39 8.399 15.497 0.636 1.00 0.00 N ATOM 491 CA ALA A 39 8.588 14.403 1.582 1.00 0.00 C ATOM 492 C ALA A 39 10.040 14.319 2.039 1.00 0.00 C ATOM 493 O ALA A 39 10.368 13.571 2.959 1.00 0.00 O ATOM 494 CB ALA A 39 8.151 13.086 0.959 1.00 0.00 C ATOM 0 H ALA A 39 8.104 15.203 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 39 7.970 14.600 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.297 12.278 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.097 13.144 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.745 12.891 0.066 1.00 0.00 H new ATOM 500 N GLY A 40 10.906 15.091 1.390 1.00 0.00 N ATOM 501 CA GLY A 40 12.314 15.087 1.745 1.00 0.00 C ATOM 502 C GLY A 40 12.963 13.735 1.526 1.00 0.00 C ATOM 503 O GLY A 40 12.503 12.924 0.723 1.00 0.00 O ATOM 0 H GLY A 40 10.658 15.719 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.837 15.838 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.423 15.374 2.791 1.00 0.00 H new ATOM 507 N PRO A 41 14.061 13.477 2.253 1.00 0.00 N ATOM 508 CA PRO A 41 14.798 12.214 2.151 1.00 0.00 C ATOM 509 C PRO A 41 14.019 11.039 2.731 1.00 0.00 C ATOM 510 O PRO A 41 12.884 11.195 3.179 1.00 0.00 O ATOM 511 CB PRO A 41 16.063 12.475 2.974 1.00 0.00 C ATOM 512 CG PRO A 41 15.672 13.537 3.943 1.00 0.00 C ATOM 513 CD PRO A 41 14.665 14.397 3.230 1.00 0.00 C ATOM 0 HA PRO A 41 14.995 11.940 1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.394 11.573 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.887 12.802 2.340 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.244 13.103 4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.538 14.123 4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.921 14.798 3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.138 15.248 2.741 1.00 0.00 H new ATOM 521 N GLY A 42 14.637 9.861 2.720 1.00 0.00 N ATOM 522 CA GLY A 42 13.985 8.677 3.247 1.00 0.00 C ATOM 523 C GLY A 42 13.620 7.684 2.162 1.00 0.00 C ATOM 524 O GLY A 42 13.599 8.026 0.980 1.00 0.00 O ATOM 0 H GLY A 42 15.577 9.706 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.643 8.195 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.083 8.971 3.784 1.00 0.00 H new ATOM 528 N ALA A 43 13.332 6.450 2.563 1.00 0.00 N ATOM 529 CA ALA A 43 12.966 5.405 1.616 1.00 0.00 C ATOM 530 C ALA A 43 11.538 4.924 1.855 1.00 0.00 C ATOM 531 O ALA A 43 11.072 4.871 2.993 1.00 0.00 O ATOM 532 CB ALA A 43 13.940 4.240 1.712 1.00 0.00 C ATOM 0 H ALA A 43 13.345 6.150 3.538 1.00 0.00 H new ATOM 0 HA ALA A 43 13.018 5.825 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.654 3.467 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.948 4.588 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.917 3.829 2.721 1.00 0.00 H new ATOM 538 N LEU A 44 10.849 4.574 0.774 1.00 0.00 N ATOM 539 CA LEU A 44 9.473 4.098 0.866 1.00 0.00 C ATOM 540 C LEU A 44 9.430 2.578 0.988 1.00 0.00 C ATOM 541 O LEU A 44 10.291 1.878 0.456 1.00 0.00 O ATOM 542 CB LEU A 44 8.675 4.546 -0.360 1.00 0.00 C ATOM 543 CG LEU A 44 7.222 4.074 -0.423 1.00 0.00 C ATOM 544 CD1 LEU A 44 6.398 4.734 0.672 1.00 0.00 C ATOM 545 CD2 LEU A 44 6.625 4.368 -1.792 1.00 0.00 C ATOM 0 H LEU A 44 11.220 4.611 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 44 9.024 4.529 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.684 5.635 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.190 4.193 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 44 7.203 2.996 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.367 4.386 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.812 4.474 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.424 5.816 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.591 4.025 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.657 5.441 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.199 3.848 -2.559 1.00 0.00 H new ATOM 557 N GLY A 45 8.420 2.074 1.690 1.00 0.00 N ATOM 558 CA GLY A 45 8.282 0.640 1.867 1.00 0.00 C ATOM 559 C GLY A 45 6.879 0.240 2.280 1.00 0.00 C ATOM 560 O GLY A 45 6.255 0.902 3.110 1.00 0.00 O ATOM 0 H GLY A 45 7.695 2.633 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.541 0.135 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.991 0.300 2.622 1.00 0.00 H new ATOM 564 N LEU A 46 6.381 -0.847 1.699 1.00 0.00 N ATOM 565 CA LEU A 46 5.042 -1.335 2.010 1.00 0.00 C ATOM 566 C LEU A 46 5.087 -2.786 2.479 1.00 0.00 C ATOM 567 O LEU A 46 6.023 -3.520 2.167 1.00 0.00 O ATOM 568 CB LEU A 46 4.135 -1.210 0.785 1.00 0.00 C ATOM 569 CG LEU A 46 2.680 -1.638 0.980 1.00 0.00 C ATOM 570 CD1 LEU A 46 1.891 -0.544 1.682 1.00 0.00 C ATOM 571 CD2 LEU A 46 2.042 -1.985 -0.357 1.00 0.00 C ATOM 0 H LEU A 46 6.884 -1.406 1.011 1.00 0.00 H new ATOM 0 HA LEU A 46 4.637 -0.724 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.146 -0.171 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.563 -1.806 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 46 2.665 -2.528 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.858 -0.867 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.334 -0.345 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.914 0.365 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.007 -2.287 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.069 -1.113 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.592 -2.804 -0.821 1.00 0.00 H new ATOM 583 N GLU A 47 4.066 -3.192 3.228 1.00 0.00 N ATOM 584 CA GLU A 47 3.989 -4.556 3.738 1.00 0.00 C ATOM 585 C GLU A 47 2.561 -5.087 3.655 1.00 0.00 C ATOM 586 O GLU A 47 1.686 -4.667 4.412 1.00 0.00 O ATOM 587 CB GLU A 47 4.483 -4.611 5.186 1.00 0.00 C ATOM 588 CG GLU A 47 4.556 -6.020 5.750 1.00 0.00 C ATOM 589 CD GLU A 47 4.998 -6.045 7.200 1.00 0.00 C ATOM 590 OE1 GLU A 47 5.694 -5.099 7.626 1.00 0.00 O ATOM 591 OE2 GLU A 47 4.648 -7.012 7.909 1.00 0.00 O ATOM 0 H GLU A 47 3.282 -2.597 3.495 1.00 0.00 H new ATOM 0 HA GLU A 47 4.629 -5.186 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.471 -4.155 5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.820 -4.012 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.578 -6.493 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.250 -6.611 5.152 1.00 0.00 H new ATOM 598 N ALA A 48 2.334 -6.014 2.730 1.00 0.00 N ATOM 599 CA ALA A 48 1.014 -6.605 2.549 1.00 0.00 C ATOM 600 C ALA A 48 0.827 -7.819 3.453 1.00 0.00 C ATOM 601 O ALA A 48 1.694 -8.689 3.529 1.00 0.00 O ATOM 602 CB ALA A 48 0.805 -6.992 1.092 1.00 0.00 C ATOM 0 H ALA A 48 3.047 -6.372 2.095 1.00 0.00 H new ATOM 0 HA ALA A 48 0.268 -5.860 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.185 -7.432 0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.887 -6.105 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.563 -7.717 0.796 1.00 0.00 H new ATOM 608 N VAL A 49 -0.311 -7.871 4.138 1.00 0.00 N ATOM 609 CA VAL A 49 -0.613 -8.978 5.037 1.00 0.00 C ATOM 610 C VAL A 49 -2.117 -9.142 5.222 1.00 0.00 C ATOM 611 O VAL A 49 -2.848 -8.160 5.351 1.00 0.00 O ATOM 612 CB VAL A 49 0.044 -8.777 6.415 1.00 0.00 C ATOM 613 CG1 VAL A 49 -0.375 -9.882 7.373 1.00 0.00 C ATOM 614 CG2 VAL A 49 1.558 -8.722 6.281 1.00 0.00 C ATOM 0 H VAL A 49 -1.039 -7.159 4.087 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.207 -9.879 4.577 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.296 -7.826 6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.099 -9.723 8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.458 -9.868 7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.067 -10.847 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.005 -8.580 7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.919 -9.656 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.836 -7.891 5.632 1.00 0.00 H new ATOM 624 N SER A 50 -2.574 -10.391 5.233 1.00 0.00 N ATOM 625 CA SER A 50 -3.992 -10.684 5.399 1.00 0.00 C ATOM 626 C SER A 50 -4.303 -11.066 6.843 1.00 0.00 C ATOM 627 O SER A 50 -3.412 -11.455 7.600 1.00 0.00 O ATOM 628 CB SER A 50 -4.414 -11.815 4.459 1.00 0.00 C ATOM 629 OG SER A 50 -5.821 -11.838 4.287 1.00 0.00 O ATOM 0 H SER A 50 -1.982 -11.215 5.129 1.00 0.00 H new ATOM 0 HA SER A 50 -4.555 -9.784 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.928 -11.688 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.078 -12.771 4.861 1.00 0.00 H new ATOM 0 HG SER A 50 -6.191 -10.956 4.499 1.00 0.00 H new ATOM 635 N ASP A 51 -5.572 -10.952 7.219 1.00 0.00 N ATOM 636 CA ASP A 51 -6.002 -11.286 8.572 1.00 0.00 C ATOM 637 C ASP A 51 -5.496 -12.667 8.978 1.00 0.00 C ATOM 638 O ASP A 51 -5.434 -12.992 10.163 1.00 0.00 O ATOM 639 CB ASP A 51 -7.528 -11.238 8.671 1.00 0.00 C ATOM 640 CG ASP A 51 -8.048 -9.836 8.919 1.00 0.00 C ATOM 641 OD1 ASP A 51 -7.413 -8.873 8.440 1.00 0.00 O ATOM 642 OD2 ASP A 51 -9.092 -9.702 9.592 1.00 0.00 O ATOM 0 H ASP A 51 -6.321 -10.631 6.606 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.578 -10.549 9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.961 -11.625 7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.858 -11.893 9.478 1.00 0.00 H new ATOM 647 N SER A 52 -5.138 -13.475 7.985 1.00 0.00 N ATOM 648 CA SER A 52 -4.642 -14.823 8.239 1.00 0.00 C ATOM 649 C SER A 52 -3.118 -14.863 8.169 1.00 0.00 C ATOM 650 O SER A 52 -2.529 -15.884 7.817 1.00 0.00 O ATOM 651 CB SER A 52 -5.236 -15.806 7.229 1.00 0.00 C ATOM 652 OG SER A 52 -6.648 -15.859 7.338 1.00 0.00 O ATOM 0 H SER A 52 -5.182 -13.220 6.998 1.00 0.00 H new ATOM 0 HA SER A 52 -4.950 -15.114 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.957 -15.507 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.818 -16.799 7.394 1.00 0.00 H new ATOM 0 HG SER A 52 -7.003 -16.493 6.681 1.00 0.00 H new ATOM 658 N GLY A 53 -2.487 -13.744 8.509 1.00 0.00 N ATOM 659 CA GLY A 53 -1.038 -13.671 8.478 1.00 0.00 C ATOM 660 C GLY A 53 -0.458 -14.198 7.181 1.00 0.00 C ATOM 661 O GLY A 53 0.392 -15.090 7.187 1.00 0.00 O ATOM 0 H GLY A 53 -2.953 -12.887 8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.727 -12.636 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.631 -14.242 9.313 1.00 0.00 H new ATOM 665 N THR A 54 -0.919 -13.648 6.062 1.00 0.00 N ATOM 666 CA THR A 54 -0.443 -14.069 4.750 1.00 0.00 C ATOM 667 C THR A 54 0.242 -12.921 4.019 1.00 0.00 C ATOM 668 O THR A 54 -0.417 -12.011 3.514 1.00 0.00 O ATOM 669 CB THR A 54 -1.596 -14.603 3.879 1.00 0.00 C ATOM 670 OG1 THR A 54 -2.431 -15.473 4.651 1.00 0.00 O ATOM 671 CG2 THR A 54 -1.058 -15.351 2.669 1.00 0.00 C ATOM 0 H THR A 54 -1.622 -12.909 6.038 1.00 0.00 H new ATOM 0 HA THR A 54 0.277 -14.870 4.917 1.00 0.00 H new ATOM 0 HB THR A 54 -2.182 -13.753 3.530 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.162 -15.807 4.091 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.890 -15.719 2.069 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.447 -14.678 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.451 -16.193 3.002 1.00 0.00 H new ATOM 679 N LYS A 55 1.569 -12.968 3.963 1.00 0.00 N ATOM 680 CA LYS A 55 2.345 -11.933 3.291 1.00 0.00 C ATOM 681 C LYS A 55 2.180 -12.026 1.778 1.00 0.00 C ATOM 682 O LYS A 55 2.388 -13.084 1.186 1.00 0.00 O ATOM 683 CB LYS A 55 3.824 -12.053 3.663 1.00 0.00 C ATOM 684 CG LYS A 55 4.107 -11.781 5.130 1.00 0.00 C ATOM 685 CD LYS A 55 3.902 -13.026 5.977 1.00 0.00 C ATOM 686 CE LYS A 55 4.470 -12.847 7.377 1.00 0.00 C ATOM 687 NZ LYS A 55 5.959 -12.852 7.376 1.00 0.00 N ATOM 0 H LYS A 55 2.130 -13.713 4.376 1.00 0.00 H new ATOM 0 HA LYS A 55 1.972 -10.963 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.172 -13.056 3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.400 -11.356 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.131 -11.427 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.453 -10.985 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.838 -13.253 6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.381 -13.878 5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.110 -11.908 7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.105 -13.646 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.306 -12.950 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.303 -13.650 6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.309 -11.960 6.972 1.00 0.00 H new ATOM 701 N ALA A 56 1.808 -10.911 1.158 1.00 0.00 N ATOM 702 CA ALA A 56 1.619 -10.867 -0.287 1.00 0.00 C ATOM 703 C ALA A 56 2.871 -10.351 -0.988 1.00 0.00 C ATOM 704 O ALA A 56 3.662 -9.612 -0.402 1.00 0.00 O ATOM 705 CB ALA A 56 0.420 -9.998 -0.637 1.00 0.00 C ATOM 0 H ALA A 56 1.632 -10.026 1.634 1.00 0.00 H new ATOM 0 HA ALA A 56 1.431 -11.883 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.291 -9.974 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.476 -10.411 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.585 -8.985 -0.269 1.00 0.00 H new ATOM 711 N GLU A 57 3.045 -10.745 -2.246 1.00 0.00 N ATOM 712 CA GLU A 57 4.202 -10.322 -3.026 1.00 0.00 C ATOM 713 C GLU A 57 4.090 -8.850 -3.412 1.00 0.00 C ATOM 714 O GLU A 57 3.215 -8.465 -4.187 1.00 0.00 O ATOM 715 CB GLU A 57 4.339 -11.182 -4.284 1.00 0.00 C ATOM 716 CG GLU A 57 5.238 -10.570 -5.345 1.00 0.00 C ATOM 717 CD GLU A 57 5.856 -11.611 -6.258 1.00 0.00 C ATOM 718 OE1 GLU A 57 6.895 -12.191 -5.881 1.00 0.00 O ATOM 719 OE2 GLU A 57 5.298 -11.846 -7.351 1.00 0.00 O ATOM 0 H GLU A 57 2.400 -11.356 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 57 5.091 -10.451 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.734 -12.159 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.349 -11.348 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.660 -9.865 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.031 -10.001 -4.860 1.00 0.00 H new ATOM 726 N VAL A 58 4.983 -8.031 -2.864 1.00 0.00 N ATOM 727 CA VAL A 58 4.985 -6.602 -3.151 1.00 0.00 C ATOM 728 C VAL A 58 6.298 -6.173 -3.797 1.00 0.00 C ATOM 729 O VAL A 58 7.305 -6.876 -3.706 1.00 0.00 O ATOM 730 CB VAL A 58 4.760 -5.773 -1.873 1.00 0.00 C ATOM 731 CG1 VAL A 58 4.837 -4.285 -2.181 1.00 0.00 C ATOM 732 CG2 VAL A 58 3.423 -6.125 -1.239 1.00 0.00 C ATOM 0 H VAL A 58 5.714 -8.333 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 58 4.165 -6.417 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 58 5.549 -6.014 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.676 -3.715 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.820 -4.048 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.070 -4.024 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.280 -5.530 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.619 -5.914 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.410 -7.184 -0.981 1.00 0.00 H new ATOM 742 N SER A 59 6.280 -5.015 -4.449 1.00 0.00 N ATOM 743 CA SER A 59 7.469 -4.493 -5.113 1.00 0.00 C ATOM 744 C SER A 59 7.357 -2.986 -5.321 1.00 0.00 C ATOM 745 O SER A 59 6.265 -2.456 -5.526 1.00 0.00 O ATOM 746 CB SER A 59 7.674 -5.191 -6.459 1.00 0.00 C ATOM 747 OG SER A 59 8.854 -4.732 -7.097 1.00 0.00 O ATOM 0 H SER A 59 5.455 -4.420 -4.532 1.00 0.00 H new ATOM 0 HA SER A 59 8.329 -4.691 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.734 -6.269 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.814 -5.007 -7.102 1.00 0.00 H new ATOM 0 HG SER A 59 8.963 -5.194 -7.954 1.00 0.00 H new ATOM 753 N ILE A 60 8.495 -2.302 -5.267 1.00 0.00 N ATOM 754 CA ILE A 60 8.526 -0.856 -5.451 1.00 0.00 C ATOM 755 C ILE A 60 9.394 -0.472 -6.645 1.00 0.00 C ATOM 756 O ILE A 60 10.406 -1.115 -6.921 1.00 0.00 O ATOM 757 CB ILE A 60 9.056 -0.141 -4.194 1.00 0.00 C ATOM 758 CG1 ILE A 60 8.141 -0.416 -2.999 1.00 0.00 C ATOM 759 CG2 ILE A 60 9.172 1.355 -4.446 1.00 0.00 C ATOM 760 CD1 ILE A 60 8.815 -0.210 -1.661 1.00 0.00 C ATOM 0 H ILE A 60 9.407 -2.726 -5.097 1.00 0.00 H new ATOM 0 HA ILE A 60 7.500 -0.539 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 60 10.048 -0.530 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.270 0.236 -3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.777 -1.442 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.548 1.847 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.860 1.532 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.191 1.759 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.107 -0.423 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.670 -0.881 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.155 0.823 -1.580 1.00 0.00 H new ATOM 772 N GLN A 61 8.990 0.581 -7.348 1.00 0.00 N ATOM 773 CA GLN A 61 9.732 1.052 -8.512 1.00 0.00 C ATOM 774 C GLN A 61 9.835 2.573 -8.513 1.00 0.00 C ATOM 775 O GLN A 61 8.825 3.273 -8.583 1.00 0.00 O ATOM 776 CB GLN A 61 9.059 0.573 -9.799 1.00 0.00 C ATOM 777 CG GLN A 61 9.855 0.889 -11.055 1.00 0.00 C ATOM 778 CD GLN A 61 11.039 -0.038 -11.245 1.00 0.00 C ATOM 779 OE1 GLN A 61 11.290 -0.920 -10.422 1.00 0.00 O ATOM 780 NE2 GLN A 61 11.775 0.156 -12.332 1.00 0.00 N ATOM 0 H GLN A 61 8.154 1.124 -7.132 1.00 0.00 H new ATOM 0 HA GLN A 61 10.739 0.639 -8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.903 -0.504 -9.739 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.074 1.033 -9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.200 0.818 -11.923 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.209 1.919 -11.007 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.531 0.899 -12.987 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.585 -0.437 -12.512 1.00 0.00 H new ATOM 858 N THR A 67 8.249 9.745 -8.165 1.00 0.00 N ATOM 859 CA THR A 67 7.107 8.900 -7.841 1.00 0.00 C ATOM 860 C THR A 67 7.525 7.441 -7.696 1.00 0.00 C ATOM 861 O THR A 67 8.563 7.029 -8.214 1.00 0.00 O ATOM 862 CB THR A 67 6.009 9.003 -8.916 1.00 0.00 C ATOM 863 OG1 THR A 67 6.558 8.714 -10.206 1.00 0.00 O ATOM 864 CG2 THR A 67 5.386 10.391 -8.923 1.00 0.00 C ATOM 0 HA THR A 67 6.710 9.257 -6.891 1.00 0.00 H new ATOM 0 HB THR A 67 5.232 8.275 -8.681 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.499 8.988 -10.230 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.613 10.439 -9.690 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.943 10.596 -7.948 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.155 11.134 -9.135 1.00 0.00 H new ATOM 872 N TYR A 68 6.712 6.665 -6.989 1.00 0.00 N ATOM 873 CA TYR A 68 6.999 5.251 -6.775 1.00 0.00 C ATOM 874 C TYR A 68 5.822 4.384 -7.209 1.00 0.00 C ATOM 875 O TYR A 68 4.678 4.637 -6.833 1.00 0.00 O ATOM 876 CB TYR A 68 7.322 4.992 -5.302 1.00 0.00 C ATOM 877 CG TYR A 68 8.546 5.731 -4.812 1.00 0.00 C ATOM 878 CD1 TYR A 68 8.469 7.063 -4.421 1.00 0.00 C ATOM 879 CD2 TYR A 68 9.781 5.098 -4.738 1.00 0.00 C ATOM 880 CE1 TYR A 68 9.585 7.742 -3.973 1.00 0.00 C ATOM 881 CE2 TYR A 68 10.902 5.769 -4.290 1.00 0.00 C ATOM 882 CZ TYR A 68 10.800 7.091 -3.909 1.00 0.00 C ATOM 883 OH TYR A 68 11.914 7.763 -3.462 1.00 0.00 O ATOM 0 H TYR A 68 5.849 6.991 -6.554 1.00 0.00 H new ATOM 0 HA TYR A 68 7.865 4.986 -7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.465 5.282 -4.694 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.470 3.922 -5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.520 7.576 -4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.866 4.063 -5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.507 8.777 -3.674 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.854 5.261 -4.238 1.00 0.00 H new ATOM 0 HH TYR A 68 12.687 7.161 -3.477 1.00 0.00 H new ATOM 893 N ALA A 69 6.112 3.359 -8.004 1.00 0.00 N ATOM 894 CA ALA A 69 5.079 2.452 -8.488 1.00 0.00 C ATOM 895 C ALA A 69 5.031 1.178 -7.652 1.00 0.00 C ATOM 896 O ALA A 69 5.783 0.234 -7.896 1.00 0.00 O ATOM 897 CB ALA A 69 5.316 2.115 -9.953 1.00 0.00 C ATOM 0 H ALA A 69 7.054 3.136 -8.326 1.00 0.00 H new ATOM 0 HA ALA A 69 4.116 2.954 -8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.537 1.437 -10.301 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.292 3.030 -10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.289 1.637 -10.064 1.00 0.00 H new ATOM 903 N VAL A 70 4.143 1.157 -6.663 1.00 0.00 N ATOM 904 CA VAL A 70 3.997 -0.002 -5.790 1.00 0.00 C ATOM 905 C VAL A 70 2.865 -0.907 -6.263 1.00 0.00 C ATOM 906 O VAL A 70 1.829 -0.432 -6.729 1.00 0.00 O ATOM 907 CB VAL A 70 3.727 0.423 -4.334 1.00 0.00 C ATOM 908 CG1 VAL A 70 3.350 -0.783 -3.488 1.00 0.00 C ATOM 909 CG2 VAL A 70 4.939 1.135 -3.754 1.00 0.00 C ATOM 0 H VAL A 70 3.514 1.930 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 70 4.938 -0.551 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 70 2.888 1.119 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.163 -0.464 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.450 -1.245 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.166 -1.505 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.731 1.428 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.798 0.465 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.158 2.023 -4.347 1.00 0.00 H new ATOM 919 N THR A 71 3.069 -2.215 -6.139 1.00 0.00 N ATOM 920 CA THR A 71 2.066 -3.187 -6.554 1.00 0.00 C ATOM 921 C THR A 71 2.057 -4.397 -5.627 1.00 0.00 C ATOM 922 O THR A 71 3.096 -4.792 -5.095 1.00 0.00 O ATOM 923 CB THR A 71 2.309 -3.663 -7.998 1.00 0.00 C ATOM 924 OG1 THR A 71 2.693 -2.556 -8.821 1.00 0.00 O ATOM 925 CG2 THR A 71 1.060 -4.317 -8.570 1.00 0.00 C ATOM 0 H THR A 71 3.920 -2.625 -5.754 1.00 0.00 H new ATOM 0 HA THR A 71 1.100 -2.686 -6.502 1.00 0.00 H new ATOM 0 HB THR A 71 3.112 -4.400 -7.983 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.847 -2.868 -9.737 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.256 -4.645 -9.591 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.787 -5.177 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.241 -3.598 -8.571 1.00 0.00 H new ATOM 933 N TYR A 72 0.880 -4.983 -5.438 1.00 0.00 N ATOM 934 CA TYR A 72 0.737 -6.148 -4.573 1.00 0.00 C ATOM 935 C TYR A 72 -0.147 -7.206 -5.227 1.00 0.00 C ATOM 936 O TYR A 72 -1.272 -6.924 -5.639 1.00 0.00 O ATOM 937 CB TYR A 72 0.147 -5.738 -3.223 1.00 0.00 C ATOM 938 CG TYR A 72 -1.349 -5.518 -3.258 1.00 0.00 C ATOM 939 CD1 TYR A 72 -2.230 -6.591 -3.230 1.00 0.00 C ATOM 940 CD2 TYR A 72 -1.880 -4.235 -3.318 1.00 0.00 C ATOM 941 CE1 TYR A 72 -3.597 -6.394 -3.262 1.00 0.00 C ATOM 942 CE2 TYR A 72 -3.246 -4.029 -3.349 1.00 0.00 C ATOM 943 CZ TYR A 72 -4.100 -5.111 -3.322 1.00 0.00 C ATOM 944 OH TYR A 72 -5.461 -4.911 -3.353 1.00 0.00 O ATOM 0 H TYR A 72 0.011 -4.671 -5.872 1.00 0.00 H new ATOM 0 HA TYR A 72 1.727 -6.575 -4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.375 -6.509 -2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.633 -4.822 -2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.840 -7.597 -3.182 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.214 -3.385 -3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.268 -7.240 -3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.643 -3.025 -3.394 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.653 -3.953 -3.274 1.00 0.00 H new ATOM 954 N VAL A 73 0.371 -8.427 -5.318 1.00 0.00 N ATOM 955 CA VAL A 73 -0.370 -9.529 -5.920 1.00 0.00 C ATOM 956 C VAL A 73 -0.862 -10.505 -4.857 1.00 0.00 C ATOM 957 O VAL A 73 -0.117 -11.350 -4.361 1.00 0.00 O ATOM 958 CB VAL A 73 0.493 -10.293 -6.942 1.00 0.00 C ATOM 959 CG1 VAL A 73 -0.262 -11.499 -7.482 1.00 0.00 C ATOM 960 CG2 VAL A 73 0.920 -9.370 -8.073 1.00 0.00 C ATOM 0 H VAL A 73 1.301 -8.678 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.227 -9.092 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 73 1.391 -10.652 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.363 -12.027 -8.203 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.513 -12.169 -6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.178 -11.166 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.529 -9.926 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.036 -8.980 -8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.501 -8.542 -7.667 1.00 0.00 H new ATOM 970 N PRO A 74 -2.149 -10.388 -4.497 1.00 0.00 N ATOM 971 CA PRO A 74 -2.771 -11.252 -3.490 1.00 0.00 C ATOM 972 C PRO A 74 -2.937 -12.687 -3.980 1.00 0.00 C ATOM 973 O PRO A 74 -3.472 -12.926 -5.063 1.00 0.00 O ATOM 974 CB PRO A 74 -4.139 -10.604 -3.262 1.00 0.00 C ATOM 975 CG PRO A 74 -4.427 -9.873 -4.528 1.00 0.00 C ATOM 976 CD PRO A 74 -3.096 -9.403 -5.047 1.00 0.00 C ATOM 0 HA PRO A 74 -2.164 -11.328 -2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.903 -11.354 -3.055 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.119 -9.926 -2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.920 -10.523 -5.251 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.095 -9.031 -4.349 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.072 -9.387 -6.137 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.867 -8.393 -4.709 1.00 0.00 H new ATOM 984 N LEU A 75 -2.475 -13.638 -3.176 1.00 0.00 N ATOM 985 CA LEU A 75 -2.573 -15.051 -3.528 1.00 0.00 C ATOM 986 C LEU A 75 -3.916 -15.629 -3.093 1.00 0.00 C ATOM 987 O LEU A 75 -4.429 -16.566 -3.706 1.00 0.00 O ATOM 988 CB LEU A 75 -1.432 -15.838 -2.880 1.00 0.00 C ATOM 989 CG LEU A 75 -0.017 -15.439 -3.301 1.00 0.00 C ATOM 990 CD1 LEU A 75 1.014 -16.086 -2.389 1.00 0.00 C ATOM 991 CD2 LEU A 75 0.235 -15.823 -4.752 1.00 0.00 C ATOM 0 H LEU A 75 -2.029 -13.457 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.496 -15.136 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.512 -15.730 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.572 -16.895 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 75 0.077 -14.357 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.015 -15.791 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.846 -15.761 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.921 -17.171 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.247 -15.532 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.122 -16.901 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.483 -15.312 -5.394 1.00 0.00 H new ATOM 1003 N THR A 76 -4.482 -15.063 -2.032 1.00 0.00 N ATOM 1004 CA THR A 76 -5.766 -15.520 -1.515 1.00 0.00 C ATOM 1005 C THR A 76 -6.691 -14.345 -1.222 1.00 0.00 C ATOM 1006 O THR A 76 -6.304 -13.393 -0.545 1.00 0.00 O ATOM 1007 CB THR A 76 -5.590 -16.354 -0.232 1.00 0.00 C ATOM 1008 OG1 THR A 76 -6.860 -16.844 0.212 1.00 0.00 O ATOM 1009 CG2 THR A 76 -4.948 -15.523 0.869 1.00 0.00 C ATOM 0 H THR A 76 -4.071 -14.287 -1.513 1.00 0.00 H new ATOM 0 HA THR A 76 -6.213 -16.146 -2.287 1.00 0.00 H new ATOM 0 HB THR A 76 -4.936 -17.196 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.739 -17.375 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.834 -16.133 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.969 -15.176 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.581 -14.664 1.093 1.00 0.00 H new ATOM 1017 N ALA A 77 -7.915 -14.419 -1.734 1.00 0.00 N ATOM 1018 CA ALA A 77 -8.896 -13.362 -1.524 1.00 0.00 C ATOM 1019 C ALA A 77 -9.243 -13.220 -0.046 1.00 0.00 C ATOM 1020 O ALA A 77 -9.266 -14.203 0.693 1.00 0.00 O ATOM 1021 CB ALA A 77 -10.151 -13.637 -2.338 1.00 0.00 C ATOM 0 H ALA A 77 -8.251 -15.200 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.457 -12.422 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.875 -12.839 -2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.896 -13.680 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.583 -14.589 -2.030 1.00 0.00 H new ATOM 1027 N GLY A 78 -9.511 -11.989 0.379 1.00 0.00 N ATOM 1028 CA GLY A 78 -9.851 -11.742 1.768 1.00 0.00 C ATOM 1029 C GLY A 78 -9.435 -10.360 2.230 1.00 0.00 C ATOM 1030 O GLY A 78 -8.840 -9.597 1.469 1.00 0.00 O ATOM 0 H GLY A 78 -9.499 -11.159 -0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.927 -11.858 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.369 -12.492 2.396 1.00 0.00 H new ATOM 1034 N MET A 79 -9.749 -10.035 3.480 1.00 0.00 N ATOM 1035 CA MET A 79 -9.403 -8.735 4.042 1.00 0.00 C ATOM 1036 C MET A 79 -7.890 -8.582 4.168 1.00 0.00 C ATOM 1037 O MET A 79 -7.229 -9.384 4.828 1.00 0.00 O ATOM 1038 CB MET A 79 -10.062 -8.555 5.411 1.00 0.00 C ATOM 1039 CG MET A 79 -11.440 -7.918 5.343 1.00 0.00 C ATOM 1040 SD MET A 79 -11.380 -6.119 5.453 1.00 0.00 S ATOM 1041 CE MET A 79 -10.355 -5.727 4.038 1.00 0.00 C ATOM 0 H MET A 79 -10.243 -10.654 4.123 1.00 0.00 H new ATOM 0 HA MET A 79 -9.773 -7.965 3.365 1.00 0.00 H new ATOM 0 HB2 MET A 79 -10.144 -9.528 5.896 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.417 -7.939 6.038 1.00 0.00 H new ATOM 0 HG2 MET A 79 -11.923 -8.205 4.409 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.056 -8.307 6.153 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.467 -4.672 3.789 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.312 -5.935 4.276 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.661 -6.335 3.187 1.00 0.00 H new ATOM 1051 N TYR A 80 -7.349 -7.549 3.532 1.00 0.00 N ATOM 1052 CA TYR A 80 -5.914 -7.293 3.572 1.00 0.00 C ATOM 1053 C TYR A 80 -5.609 -6.023 4.360 1.00 0.00 C ATOM 1054 O TYR A 80 -6.452 -5.134 4.480 1.00 0.00 O ATOM 1055 CB TYR A 80 -5.357 -7.172 2.152 1.00 0.00 C ATOM 1056 CG TYR A 80 -4.889 -8.487 1.571 1.00 0.00 C ATOM 1057 CD1 TYR A 80 -3.595 -8.943 1.789 1.00 0.00 C ATOM 1058 CD2 TYR A 80 -5.740 -9.273 0.805 1.00 0.00 C ATOM 1059 CE1 TYR A 80 -3.162 -10.144 1.260 1.00 0.00 C ATOM 1060 CE2 TYR A 80 -5.317 -10.476 0.273 1.00 0.00 C ATOM 1061 CZ TYR A 80 -4.027 -10.907 0.503 1.00 0.00 C ATOM 1062 OH TYR A 80 -3.600 -12.103 -0.026 1.00 0.00 O ATOM 0 H TYR A 80 -7.882 -6.875 2.983 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.434 -8.134 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.126 -6.751 1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.524 -6.469 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.916 -8.349 2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.750 -8.938 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.152 -10.483 1.438 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.992 -11.075 -0.319 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.377 -12.652 -0.263 1.00 0.00 H new ATOM 1072 N THR A 81 -4.395 -5.945 4.895 1.00 0.00 N ATOM 1073 CA THR A 81 -3.976 -4.785 5.673 1.00 0.00 C ATOM 1074 C THR A 81 -2.715 -4.158 5.089 1.00 0.00 C ATOM 1075 O THR A 81 -1.599 -4.577 5.401 1.00 0.00 O ATOM 1076 CB THR A 81 -3.715 -5.159 7.144 1.00 0.00 C ATOM 1077 OG1 THR A 81 -4.853 -5.839 7.685 1.00 0.00 O ATOM 1078 CG2 THR A 81 -3.417 -3.919 7.973 1.00 0.00 C ATOM 0 H THR A 81 -3.684 -6.671 4.804 1.00 0.00 H new ATOM 0 HA THR A 81 -4.792 -4.064 5.629 1.00 0.00 H new ATOM 0 HB THR A 81 -2.847 -5.818 7.180 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.679 -6.075 8.620 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.236 -4.208 9.008 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.533 -3.420 7.576 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.268 -3.239 7.930 1.00 0.00 H new ATOM 1086 N LEU A 82 -2.898 -3.152 4.241 1.00 0.00 N ATOM 1087 CA LEU A 82 -1.774 -2.466 3.613 1.00 0.00 C ATOM 1088 C LEU A 82 -1.021 -1.613 4.629 1.00 0.00 C ATOM 1089 O LEU A 82 -1.615 -0.794 5.331 1.00 0.00 O ATOM 1090 CB LEU A 82 -2.266 -1.590 2.459 1.00 0.00 C ATOM 1091 CG LEU A 82 -3.318 -2.216 1.543 1.00 0.00 C ATOM 1092 CD1 LEU A 82 -4.003 -1.145 0.709 1.00 0.00 C ATOM 1093 CD2 LEU A 82 -2.686 -3.270 0.646 1.00 0.00 C ATOM 0 H LEU A 82 -3.814 -2.793 3.972 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.091 -3.221 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.677 -0.671 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.406 -1.307 1.852 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.071 -2.701 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.749 -1.608 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.490 -0.427 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.262 -0.631 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.450 -3.705 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.912 -2.809 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.242 -4.053 1.261 1.00 0.00 H new ATOM 1105 N THR A 83 0.292 -1.810 4.701 1.00 0.00 N ATOM 1106 CA THR A 83 1.127 -1.059 5.630 1.00 0.00 C ATOM 1107 C THR A 83 2.256 -0.341 4.898 1.00 0.00 C ATOM 1108 O THR A 83 3.227 -0.966 4.471 1.00 0.00 O ATOM 1109 CB THR A 83 1.733 -1.976 6.709 1.00 0.00 C ATOM 1110 OG1 THR A 83 0.697 -2.731 7.348 1.00 0.00 O ATOM 1111 CG2 THR A 83 2.488 -1.162 7.749 1.00 0.00 C ATOM 0 H THR A 83 0.800 -2.483 4.127 1.00 0.00 H new ATOM 0 HA THR A 83 0.482 -0.323 6.110 1.00 0.00 H new ATOM 0 HB THR A 83 2.433 -2.657 6.225 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.090 -3.313 8.031 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.907 -1.831 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.294 -0.610 7.265 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.805 -0.461 8.228 1.00 0.00 H new ATOM 1119 N MET A 84 2.121 0.973 4.756 1.00 0.00 N ATOM 1120 CA MET A 84 3.132 1.776 4.077 1.00 0.00 C ATOM 1121 C MET A 84 3.932 2.604 5.078 1.00 0.00 C ATOM 1122 O MET A 84 3.396 3.068 6.084 1.00 0.00 O ATOM 1123 CB MET A 84 2.475 2.695 3.046 1.00 0.00 C ATOM 1124 CG MET A 84 3.466 3.353 2.099 1.00 0.00 C ATOM 1125 SD MET A 84 3.749 2.382 0.606 1.00 0.00 S ATOM 1126 CE MET A 84 2.544 3.106 -0.503 1.00 0.00 C ATOM 0 H MET A 84 1.322 1.505 5.102 1.00 0.00 H new ATOM 0 HA MET A 84 3.816 1.098 3.566 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.756 2.119 2.464 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.914 3.470 3.568 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.097 4.340 1.821 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.414 3.501 2.617 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.744 2.390 -0.689 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.128 4.006 -0.050 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.026 3.364 -1.446 1.00 0.00 H new ATOM 1136 N LYS A 85 5.217 2.786 4.794 1.00 0.00 N ATOM 1137 CA LYS A 85 6.091 3.559 5.669 1.00 0.00 C ATOM 1138 C LYS A 85 7.137 4.319 4.858 1.00 0.00 C ATOM 1139 O LYS A 85 7.893 3.724 4.090 1.00 0.00 O ATOM 1140 CB LYS A 85 6.782 2.638 6.677 1.00 0.00 C ATOM 1141 CG LYS A 85 5.955 2.371 7.922 1.00 0.00 C ATOM 1142 CD LYS A 85 6.837 2.114 9.133 1.00 0.00 C ATOM 1143 CE LYS A 85 6.118 1.276 10.179 1.00 0.00 C ATOM 1144 NZ LYS A 85 6.828 1.293 11.488 1.00 0.00 N ATOM 0 H LYS A 85 5.676 2.409 3.965 1.00 0.00 H new ATOM 0 HA LYS A 85 5.478 4.282 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.011 1.689 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.733 3.083 6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.305 3.224 8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.308 1.510 7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.748 1.603 8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.140 3.065 9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.104 1.652 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.033 0.248 9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.306 0.710 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.787 0.910 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.887 2.270 11.838 1.00 0.00 H new ATOM 1158 N TYR A 86 7.175 5.634 5.036 1.00 0.00 N ATOM 1159 CA TYR A 86 8.128 6.475 4.321 1.00 0.00 C ATOM 1160 C TYR A 86 9.127 7.108 5.285 1.00 0.00 C ATOM 1161 O TYR A 86 8.754 7.887 6.161 1.00 0.00 O ATOM 1162 CB TYR A 86 7.392 7.566 3.542 1.00 0.00 C ATOM 1163 CG TYR A 86 8.238 8.223 2.474 1.00 0.00 C ATOM 1164 CD1 TYR A 86 9.096 9.270 2.786 1.00 0.00 C ATOM 1165 CD2 TYR A 86 8.179 7.796 1.153 1.00 0.00 C ATOM 1166 CE1 TYR A 86 9.870 9.874 1.814 1.00 0.00 C ATOM 1167 CE2 TYR A 86 8.950 8.393 0.175 1.00 0.00 C ATOM 1168 CZ TYR A 86 9.794 9.431 0.510 1.00 0.00 C ATOM 1169 OH TYR A 86 10.563 10.029 -0.462 1.00 0.00 O ATOM 0 H TYR A 86 6.557 6.141 5.669 1.00 0.00 H new ATOM 0 HA TYR A 86 8.676 5.845 3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.506 7.134 3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.046 8.329 4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.159 9.618 3.806 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.519 6.984 0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 86 10.531 10.688 2.074 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.892 8.049 -0.847 1.00 0.00 H new ATOM 0 HH TYR A 86 10.392 9.598 -1.325 1.00 0.00 H new ATOM 1179 N GLY A 87 10.401 6.767 5.115 1.00 0.00 N ATOM 1180 CA GLY A 87 11.435 7.310 5.976 1.00 0.00 C ATOM 1181 C GLY A 87 11.322 6.813 7.403 1.00 0.00 C ATOM 1182 O GLY A 87 11.816 7.452 8.332 1.00 0.00 O ATOM 0 H GLY A 87 10.735 6.125 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.413 7.041 5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.376 8.398 5.968 1.00 0.00 H new ATOM 1186 N GLY A 88 10.668 5.669 7.580 1.00 0.00 N ATOM 1187 CA GLY A 88 10.501 5.107 8.908 1.00 0.00 C ATOM 1188 C GLY A 88 9.250 5.613 9.599 1.00 0.00 C ATOM 1189 O GLY A 88 9.007 5.299 10.763 1.00 0.00 O ATOM 0 H GLY A 88 10.251 5.121 6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.458 4.020 8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.372 5.353 9.515 1.00 0.00 H new ATOM 1193 N GLU A 89 8.456 6.400 8.880 1.00 0.00 N ATOM 1194 CA GLU A 89 7.225 6.953 9.433 1.00 0.00 C ATOM 1195 C GLU A 89 6.021 6.559 8.582 1.00 0.00 C ATOM 1196 O GLU A 89 6.089 6.563 7.352 1.00 0.00 O ATOM 1197 CB GLU A 89 7.321 8.477 9.527 1.00 0.00 C ATOM 1198 CG GLU A 89 8.505 8.963 10.346 1.00 0.00 C ATOM 1199 CD GLU A 89 8.240 10.295 11.020 1.00 0.00 C ATOM 1200 OE1 GLU A 89 7.476 11.105 10.456 1.00 0.00 O ATOM 1201 OE2 GLU A 89 8.797 10.526 12.114 1.00 0.00 O ATOM 0 H GLU A 89 8.643 6.669 7.914 1.00 0.00 H new ATOM 0 HA GLU A 89 7.090 6.543 10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.391 8.891 8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.402 8.864 9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.748 8.218 11.104 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.377 9.055 9.698 1.00 0.00 H new ATOM 1208 N LEU A 90 4.921 6.220 9.244 1.00 0.00 N ATOM 1209 CA LEU A 90 3.701 5.823 8.549 1.00 0.00 C ATOM 1210 C LEU A 90 3.128 6.987 7.748 1.00 0.00 C ATOM 1211 O LEU A 90 3.293 8.149 8.117 1.00 0.00 O ATOM 1212 CB LEU A 90 2.662 5.317 9.551 1.00 0.00 C ATOM 1213 CG LEU A 90 2.694 3.818 9.853 1.00 0.00 C ATOM 1214 CD1 LEU A 90 1.742 3.482 10.990 1.00 0.00 C ATOM 1215 CD2 LEU A 90 2.345 3.016 8.608 1.00 0.00 C ATOM 0 H LEU A 90 4.848 6.212 10.261 1.00 0.00 H new ATOM 0 HA LEU A 90 3.951 5.019 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.796 5.859 10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.671 5.570 9.175 1.00 0.00 H new ATOM 0 HG LEU A 90 3.704 3.550 10.162 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.778 2.411 11.191 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.037 4.029 11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.727 3.764 10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.373 1.952 8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.345 3.287 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.067 3.234 7.821 1.00 0.00 H new ATOM 1227 N VAL A 91 2.451 6.666 6.650 1.00 0.00 N ATOM 1228 CA VAL A 91 1.850 7.684 5.797 1.00 0.00 C ATOM 1229 C VAL A 91 0.376 7.881 6.133 1.00 0.00 C ATOM 1230 O VAL A 91 -0.267 7.027 6.743 1.00 0.00 O ATOM 1231 CB VAL A 91 1.981 7.319 4.307 1.00 0.00 C ATOM 1232 CG1 VAL A 91 3.254 7.912 3.722 1.00 0.00 C ATOM 1233 CG2 VAL A 91 1.954 5.809 4.125 1.00 0.00 C ATOM 0 H VAL A 91 2.305 5.708 6.330 1.00 0.00 H new ATOM 0 HA VAL A 91 2.390 8.612 5.984 1.00 0.00 H new ATOM 0 HB VAL A 91 1.132 7.742 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.330 7.644 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.228 8.997 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.118 7.521 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.048 5.568 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.783 5.362 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.012 5.414 4.505 1.00 0.00 H new ATOM 1243 N PRO A 92 -0.175 9.034 5.725 1.00 0.00 N ATOM 1244 CA PRO A 92 -1.581 9.371 5.971 1.00 0.00 C ATOM 1245 C PRO A 92 -2.534 8.511 5.148 1.00 0.00 C ATOM 1246 O PRO A 92 -3.749 8.716 5.172 1.00 0.00 O ATOM 1247 CB PRO A 92 -1.675 10.836 5.539 1.00 0.00 C ATOM 1248 CG PRO A 92 -0.577 11.011 4.548 1.00 0.00 C ATOM 1249 CD PRO A 92 0.532 10.099 4.993 1.00 0.00 C ATOM 0 HA PRO A 92 -1.866 9.199 7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.646 11.056 5.096 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.552 11.508 6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.914 10.755 3.543 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.241 12.047 4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.090 9.702 4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.248 10.618 5.631 1.00 0.00 H new ATOM 1257 N HIS A 93 -1.978 7.548 4.421 1.00 0.00 N ATOM 1258 CA HIS A 93 -2.780 6.655 3.591 1.00 0.00 C ATOM 1259 C HIS A 93 -2.636 5.208 4.053 1.00 0.00 C ATOM 1260 O HIS A 93 -3.086 4.283 3.377 1.00 0.00 O ATOM 1261 CB HIS A 93 -2.366 6.779 2.125 1.00 0.00 C ATOM 1262 CG HIS A 93 -2.297 8.193 1.638 1.00 0.00 C ATOM 1263 ND1 HIS A 93 -3.235 8.744 0.790 1.00 0.00 N ATOM 1264 CD2 HIS A 93 -1.396 9.172 1.887 1.00 0.00 C ATOM 1265 CE1 HIS A 93 -2.913 10.000 0.537 1.00 0.00 C ATOM 1266 NE2 HIS A 93 -1.801 10.285 1.191 1.00 0.00 N ATOM 0 H HIS A 93 -0.975 7.365 4.389 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.825 6.947 3.691 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.391 6.310 1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.074 6.226 1.508 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -4.050 8.258 0.417 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.522 9.093 2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.465 10.678 -0.097 1.00 0.00 H new ATOM 1275 N PHE A 94 -2.006 5.021 5.208 1.00 0.00 N ATOM 1276 CA PHE A 94 -1.801 3.686 5.759 1.00 0.00 C ATOM 1277 C PHE A 94 -1.758 3.728 7.284 1.00 0.00 C ATOM 1278 O PHE A 94 -1.393 4.734 7.892 1.00 0.00 O ATOM 1279 CB PHE A 94 -0.504 3.081 5.218 1.00 0.00 C ATOM 1280 CG PHE A 94 -0.499 2.910 3.726 1.00 0.00 C ATOM 1281 CD1 PHE A 94 -0.314 4.000 2.890 1.00 0.00 C ATOM 1282 CD2 PHE A 94 -0.679 1.659 3.158 1.00 0.00 C ATOM 1283 CE1 PHE A 94 -0.310 3.845 1.517 1.00 0.00 C ATOM 1284 CE2 PHE A 94 -0.676 1.497 1.786 1.00 0.00 C ATOM 1285 CZ PHE A 94 -0.490 2.592 0.964 1.00 0.00 C ATOM 0 H PHE A 94 -1.629 5.776 5.780 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.640 3.061 5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.332 3.718 5.505 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.342 2.111 5.687 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.171 4.982 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.823 0.800 3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.166 4.703 0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.819 0.516 1.357 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.485 2.468 -0.109 1.00 0.00 H new ATOM 1295 N PRO A 95 -2.141 2.610 7.917 1.00 0.00 N ATOM 1296 CA PRO A 95 -2.579 1.406 7.203 1.00 0.00 C ATOM 1297 C PRO A 95 -3.927 1.597 6.517 1.00 0.00 C ATOM 1298 O PRO A 95 -4.731 2.433 6.930 1.00 0.00 O ATOM 1299 CB PRO A 95 -2.686 0.356 8.311 1.00 0.00 C ATOM 1300 CG PRO A 95 -2.925 1.140 9.555 1.00 0.00 C ATOM 1301 CD PRO A 95 -2.178 2.434 9.378 1.00 0.00 C ATOM 0 HA PRO A 95 -1.890 1.133 6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.502 -0.340 8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.773 -0.236 8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.990 1.321 9.704 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.568 0.600 10.432 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.688 3.263 9.870 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.175 2.380 9.802 1.00 0.00 H new ATOM 1309 N ALA A 96 -4.169 0.817 5.469 1.00 0.00 N ATOM 1310 CA ALA A 96 -5.421 0.899 4.728 1.00 0.00 C ATOM 1311 C ALA A 96 -6.021 -0.486 4.508 1.00 0.00 C ATOM 1312 O ALA A 96 -5.321 -1.421 4.118 1.00 0.00 O ATOM 1313 CB ALA A 96 -5.201 1.598 3.394 1.00 0.00 C ATOM 0 H ALA A 96 -3.514 0.121 5.114 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.126 1.483 5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.145 1.652 2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.825 2.606 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.475 1.037 2.805 1.00 0.00 H new ATOM 1319 N ARG A 97 -7.319 -0.611 4.762 1.00 0.00 N ATOM 1320 CA ARG A 97 -8.012 -1.882 4.593 1.00 0.00 C ATOM 1321 C ARG A 97 -8.670 -1.965 3.219 1.00 0.00 C ATOM 1322 O ARG A 97 -9.274 -1.001 2.749 1.00 0.00 O ATOM 1323 CB ARG A 97 -9.067 -2.061 5.687 1.00 0.00 C ATOM 1324 CG ARG A 97 -8.478 -2.292 7.069 1.00 0.00 C ATOM 1325 CD ARG A 97 -8.152 -3.760 7.298 1.00 0.00 C ATOM 1326 NE ARG A 97 -9.286 -4.492 7.855 1.00 0.00 N ATOM 1327 CZ ARG A 97 -9.652 -4.421 9.130 1.00 0.00 C ATOM 1328 NH1 ARG A 97 -8.977 -3.655 9.975 1.00 0.00 N ATOM 1329 NH2 ARG A 97 -10.696 -5.117 9.561 1.00 0.00 N ATOM 0 H ARG A 97 -7.912 0.153 5.086 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.276 -2.682 4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.702 -1.176 5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -9.707 -2.905 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.573 -1.695 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.183 -1.952 7.828 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.854 -4.217 6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.301 -3.841 7.974 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.827 -5.091 7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.174 -3.118 9.647 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.260 -3.602 10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.218 -5.707 8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.976 -5.062 10.540 1.00 0.00 H new ATOM 1343 N VAL A 98 -8.548 -3.124 2.579 1.00 0.00 N ATOM 1344 CA VAL A 98 -9.130 -3.334 1.259 1.00 0.00 C ATOM 1345 C VAL A 98 -9.685 -4.747 1.122 1.00 0.00 C ATOM 1346 O VAL A 98 -9.068 -5.715 1.569 1.00 0.00 O ATOM 1347 CB VAL A 98 -8.097 -3.089 0.144 1.00 0.00 C ATOM 1348 CG1 VAL A 98 -8.771 -3.091 -1.219 1.00 0.00 C ATOM 1349 CG2 VAL A 98 -7.359 -1.780 0.380 1.00 0.00 C ATOM 0 H VAL A 98 -8.051 -3.932 2.954 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.943 -2.616 1.154 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.369 -3.900 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.025 -2.916 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.250 -4.056 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.522 -2.302 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.633 -1.623 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.073 -0.956 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.842 -1.822 1.339 1.00 0.00 H new ATOM 1359 N LYS A 99 -10.853 -4.860 0.499 1.00 0.00 N ATOM 1360 CA LYS A 99 -11.492 -6.156 0.300 1.00 0.00 C ATOM 1361 C LYS A 99 -11.152 -6.725 -1.074 1.00 0.00 C ATOM 1362 O LYS A 99 -11.492 -6.138 -2.102 1.00 0.00 O ATOM 1363 CB LYS A 99 -13.010 -6.027 0.448 1.00 0.00 C ATOM 1364 CG LYS A 99 -13.752 -7.341 0.272 1.00 0.00 C ATOM 1365 CD LYS A 99 -15.118 -7.303 0.935 1.00 0.00 C ATOM 1366 CE LYS A 99 -15.915 -8.565 0.643 1.00 0.00 C ATOM 1367 NZ LYS A 99 -16.600 -8.496 -0.677 1.00 0.00 N ATOM 0 H LYS A 99 -11.377 -4.070 0.123 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.115 -6.840 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.237 -5.620 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.379 -5.310 -0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.868 -7.555 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.162 -8.153 0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.998 -7.189 2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.671 -6.432 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.249 -9.428 0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -16.655 -8.717 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.132 -9.375 -0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -17.255 -7.688 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.892 -8.377 -1.430 1.00 0.00 H new ATOM 1381 N VAL A 100 -10.479 -7.871 -1.085 1.00 0.00 N ATOM 1382 CA VAL A 100 -10.095 -8.521 -2.332 1.00 0.00 C ATOM 1383 C VAL A 100 -11.004 -9.706 -2.637 1.00 0.00 C ATOM 1384 O VAL A 100 -11.238 -10.557 -1.780 1.00 0.00 O ATOM 1385 CB VAL A 100 -8.634 -9.006 -2.286 1.00 0.00 C ATOM 1386 CG1 VAL A 100 -8.267 -9.719 -3.578 1.00 0.00 C ATOM 1387 CG2 VAL A 100 -7.694 -7.840 -2.024 1.00 0.00 C ATOM 0 H VAL A 100 -10.188 -8.369 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.197 -7.776 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.531 -9.717 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.231 -10.054 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.921 -10.580 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.386 -9.034 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.666 -8.201 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.797 -7.103 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.944 -7.379 -1.069 1.00 0.00 H new ATOM 1397 N GLU A 101 -11.512 -9.755 -3.864 1.00 0.00 N ATOM 1398 CA GLU A 101 -12.396 -10.837 -4.282 1.00 0.00 C ATOM 1399 C GLU A 101 -11.607 -11.951 -4.964 1.00 0.00 C ATOM 1400 O GLU A 101 -10.523 -11.737 -5.507 1.00 0.00 O ATOM 1401 CB GLU A 101 -13.475 -10.308 -5.229 1.00 0.00 C ATOM 1402 CG GLU A 101 -14.697 -9.757 -4.513 1.00 0.00 C ATOM 1403 CD GLU A 101 -15.638 -10.848 -4.041 1.00 0.00 C ATOM 1404 OE1 GLU A 101 -16.346 -11.430 -4.889 1.00 0.00 O ATOM 1405 OE2 GLU A 101 -15.665 -11.121 -2.822 1.00 0.00 O ATOM 0 H GLU A 101 -11.327 -9.059 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.874 -11.246 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.046 -9.524 -5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.787 -11.112 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.375 -9.164 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.233 -9.084 -5.183 1.00 0.00 H new ATOM 1412 N PRO A 102 -12.163 -13.172 -4.936 1.00 0.00 N ATOM 1413 CA PRO A 102 -11.530 -14.344 -5.547 1.00 0.00 C ATOM 1414 C PRO A 102 -11.526 -14.274 -7.070 1.00 0.00 C ATOM 1415 O PRO A 102 -12.406 -13.662 -7.674 1.00 0.00 O ATOM 1416 CB PRO A 102 -12.401 -15.508 -5.068 1.00 0.00 C ATOM 1417 CG PRO A 102 -13.732 -14.897 -4.792 1.00 0.00 C ATOM 1418 CD PRO A 102 -13.453 -13.501 -4.307 1.00 0.00 C ATOM 0 HA PRO A 102 -10.481 -14.434 -5.264 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.473 -16.287 -5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.985 -15.972 -4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -14.349 -14.882 -5.691 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -14.276 -15.470 -4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -14.236 -12.806 -4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.392 -13.458 -3.220 1.00 0.00 H new ATOM 1426 N ALA A 103 -10.530 -14.904 -7.684 1.00 0.00 N ATOM 1427 CA ALA A 103 -10.413 -14.914 -9.137 1.00 0.00 C ATOM 1428 C ALA A 103 -10.926 -16.226 -9.719 1.00 0.00 C ATOM 1429 O ALA A 103 -10.383 -16.737 -10.699 1.00 0.00 O ATOM 1430 CB ALA A 103 -8.968 -14.680 -9.552 1.00 0.00 C ATOM 0 H ALA A 103 -9.793 -15.414 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.028 -14.106 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.896 -14.690 -10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.633 -13.714 -9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.339 -15.468 -9.139 1.00 0.00 H new