USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 459 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 146 TYR OH : rot -87:sc= 0.0941 USER MOD Single : A 151 GLN : amide:sc= -0.93 K(o=-0.93,f=-2.5!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN :FLIP amide:sc= -5.83! C(o=-6.8!,f=-5.8!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -2.37! USER MOD Single : A 186 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 193 MET CE :methyl -122:sc= -0.909 (180deg=-4.59!) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -3.21 F(o=-9.2!,f=-3.2) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.557 -3.152 -6.677 1.00 0.00 N ATOM 41 CA TYR A 146 4.164 -3.460 -6.248 1.00 0.00 C ATOM 42 C TYR A 146 3.259 -2.272 -6.578 1.00 0.00 C ATOM 43 O TYR A 146 3.704 -1.145 -6.664 1.00 0.00 O ATOM 44 CB TYR A 146 4.139 -3.714 -4.740 1.00 0.00 C ATOM 45 CG TYR A 146 4.854 -5.005 -4.429 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.495 -6.183 -5.097 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.871 -5.027 -3.466 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.153 -7.383 -4.802 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.529 -6.227 -3.171 1.00 0.00 C ATOM 50 CZ TYR A 146 6.170 -7.406 -3.838 1.00 0.00 C ATOM 51 OH TYR A 146 6.820 -8.589 -3.548 1.00 0.00 O ATOM 0 HA TYR A 146 3.809 -4.348 -6.772 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.617 -2.887 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.109 -3.764 -4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.711 -6.165 -5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.147 -4.119 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 146 4.877 -8.291 -5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.314 -6.244 -2.429 1.00 0.00 H new ATOM 0 HH TYR A 146 6.322 -9.075 -2.858 1.00 0.00 H new ATOM 61 N ARG A 147 1.990 -2.513 -6.763 1.00 0.00 N ATOM 62 CA ARG A 147 1.060 -1.394 -7.087 1.00 0.00 C ATOM 63 C ARG A 147 0.771 -0.583 -5.822 1.00 0.00 C ATOM 64 O ARG A 147 -0.225 -0.790 -5.157 1.00 0.00 O ATOM 65 CB ARG A 147 -0.247 -1.959 -7.638 1.00 0.00 C ATOM 66 CG ARG A 147 -0.759 -3.028 -6.684 1.00 0.00 C ATOM 67 CD ARG A 147 -2.066 -2.561 -6.040 1.00 0.00 C ATOM 68 NE ARG A 147 -3.175 -3.465 -6.454 1.00 0.00 N ATOM 69 CZ ARG A 147 -4.176 -2.996 -7.147 1.00 0.00 C ATOM 70 NH1 ARG A 147 -5.093 -2.274 -6.564 1.00 0.00 N ATOM 71 NH2 ARG A 147 -4.258 -3.247 -8.425 1.00 0.00 N ATOM 0 H ARG A 147 1.557 -3.435 -6.704 1.00 0.00 H new ATOM 0 HA ARG A 147 1.521 -0.748 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.986 -1.165 -7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.087 -2.383 -8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.921 -3.962 -7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.014 -3.229 -5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.969 -2.561 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.286 -1.537 -6.341 1.00 0.00 H new ATOM 0 HE ARG A 147 -3.152 -4.451 -6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -5.028 -2.076 -5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -5.875 -1.908 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -3.540 -3.809 -8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -5.040 -2.881 -8.968 1.00 0.00 H new ATOM 85 N GLY A 148 1.631 0.339 -5.484 1.00 0.00 N ATOM 86 CA GLY A 148 1.400 1.163 -4.263 1.00 0.00 C ATOM 87 C GLY A 148 2.703 1.283 -3.469 1.00 0.00 C ATOM 88 O GLY A 148 2.881 2.194 -2.685 1.00 0.00 O ATOM 0 H GLY A 148 2.483 0.557 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 148 1.041 2.153 -4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.627 0.706 -3.645 1.00 0.00 H new ATOM 92 N VAL A 149 3.615 0.371 -3.665 1.00 0.00 N ATOM 93 CA VAL A 149 4.904 0.433 -2.920 1.00 0.00 C ATOM 94 C VAL A 149 5.923 1.242 -3.723 1.00 0.00 C ATOM 95 O VAL A 149 6.311 0.867 -4.811 1.00 0.00 O ATOM 96 CB VAL A 149 5.436 -0.985 -2.704 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.724 -0.929 -1.883 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.389 -1.808 -1.953 1.00 0.00 C ATOM 0 H VAL A 149 3.523 -0.415 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 149 4.741 0.913 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 149 5.643 -1.448 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.102 -1.940 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.470 -0.340 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.520 -0.468 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.764 -2.819 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.185 -1.344 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.470 -1.848 -2.538 1.00 0.00 H new ATOM 108 N ARG A 150 6.362 2.349 -3.191 1.00 0.00 N ATOM 109 CA ARG A 150 7.359 3.182 -3.920 1.00 0.00 C ATOM 110 C ARG A 150 8.732 3.015 -3.267 1.00 0.00 C ATOM 111 O ARG A 150 8.914 3.300 -2.100 1.00 0.00 O ATOM 112 CB ARG A 150 6.935 4.652 -3.861 1.00 0.00 C ATOM 113 CG ARG A 150 5.503 4.788 -4.384 1.00 0.00 C ATOM 114 CD ARG A 150 5.508 5.594 -5.684 1.00 0.00 C ATOM 115 NE ARG A 150 5.869 7.010 -5.388 1.00 0.00 N ATOM 116 CZ ARG A 150 4.982 7.955 -5.542 1.00 0.00 C ATOM 117 NH1 ARG A 150 4.199 8.284 -4.551 1.00 0.00 N ATOM 118 NH2 ARG A 150 4.878 8.572 -6.687 1.00 0.00 N ATOM 0 H ARG A 150 6.073 2.713 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 150 7.412 2.864 -4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.996 5.019 -2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.612 5.262 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.073 3.802 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 150 4.878 5.282 -3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 150 6.221 5.165 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 150 4.527 5.549 -6.157 1.00 0.00 H new ATOM 0 HE ARG A 150 6.809 7.240 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 150 4.280 7.803 -3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 150 3.506 9.023 -4.672 1.00 0.00 H new ATOM 0 HH21 ARG A 150 5.490 8.316 -7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 150 4.185 9.310 -6.807 1.00 0.00 H new ATOM 132 N GLN A 151 9.698 2.548 -4.010 1.00 0.00 N ATOM 133 CA GLN A 151 11.058 2.354 -3.432 1.00 0.00 C ATOM 134 C GLN A 151 11.849 3.661 -3.513 1.00 0.00 C ATOM 135 O GLN A 151 11.497 4.568 -4.241 1.00 0.00 O ATOM 136 CB GLN A 151 11.792 1.270 -4.221 1.00 0.00 C ATOM 137 CG GLN A 151 11.975 1.731 -5.669 1.00 0.00 C ATOM 138 CD GLN A 151 13.387 2.292 -5.850 1.00 0.00 C ATOM 139 OE1 GLN A 151 14.322 1.822 -5.234 1.00 0.00 O ATOM 140 NE2 GLN A 151 13.581 3.283 -6.676 1.00 0.00 N ATOM 0 H GLN A 151 9.604 2.292 -4.993 1.00 0.00 H new ATOM 0 HA GLN A 151 10.966 2.054 -2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.762 1.068 -3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 151 11.227 0.339 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 151 11.813 0.896 -6.351 1.00 0.00 H new ATOM 0 HG3 GLN A 151 11.235 2.492 -5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.795 3.677 -7.193 1.00 0.00 H new ATOM 0 HE22 GLN A 151 14.519 3.664 -6.805 1.00 0.00 H new ATOM 149 N ARG A 152 12.919 3.760 -2.773 1.00 0.00 N ATOM 150 CA ARG A 152 13.740 5.004 -2.806 1.00 0.00 C ATOM 151 C ARG A 152 15.217 4.636 -2.977 1.00 0.00 C ATOM 152 O ARG A 152 15.591 3.491 -2.809 1.00 0.00 O ATOM 153 CB ARG A 152 13.557 5.775 -1.498 1.00 0.00 C ATOM 154 CG ARG A 152 12.449 6.818 -1.668 1.00 0.00 C ATOM 155 CD ARG A 152 13.056 8.222 -1.626 1.00 0.00 C ATOM 156 NE ARG A 152 12.150 9.130 -0.867 1.00 0.00 N ATOM 157 CZ ARG A 152 11.561 10.122 -1.477 1.00 0.00 C ATOM 158 NH1 ARG A 152 12.204 10.807 -2.383 1.00 0.00 N ATOM 159 NH2 ARG A 152 10.327 10.429 -1.180 1.00 0.00 N ATOM 0 H ARG A 152 13.261 3.032 -2.146 1.00 0.00 H new ATOM 0 HA ARG A 152 13.419 5.626 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.303 5.088 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.490 6.263 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.931 6.663 -2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.707 6.708 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 152 14.038 8.192 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 152 13.201 8.598 -2.639 1.00 0.00 H new ATOM 0 HE ARG A 152 11.990 8.976 0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 152 13.168 10.567 -2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 152 11.743 11.582 -2.859 1.00 0.00 H new ATOM 0 HH21 ARG A 152 9.825 9.894 -0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 152 9.866 11.204 -1.656 1.00 0.00 H new ATOM 173 N PRO A 153 16.012 5.621 -3.311 1.00 0.00 N ATOM 174 CA PRO A 153 17.459 5.440 -3.518 1.00 0.00 C ATOM 175 C PRO A 153 18.199 5.368 -2.176 1.00 0.00 C ATOM 176 O PRO A 153 19.393 5.146 -2.129 1.00 0.00 O ATOM 177 CB PRO A 153 17.868 6.694 -4.298 1.00 0.00 C ATOM 178 CG PRO A 153 16.787 7.763 -4.005 1.00 0.00 C ATOM 179 CD PRO A 153 15.538 7.006 -3.515 1.00 0.00 C ATOM 0 HA PRO A 153 17.700 4.515 -4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.853 7.042 -3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.928 6.485 -5.366 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.134 8.467 -3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.562 8.342 -4.901 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.149 7.434 -2.591 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.733 7.048 -4.249 1.00 0.00 H new ATOM 187 N TRP A 154 17.504 5.552 -1.086 1.00 0.00 N ATOM 188 CA TRP A 154 18.178 5.491 0.242 1.00 0.00 C ATOM 189 C TRP A 154 18.102 4.066 0.791 1.00 0.00 C ATOM 190 O TRP A 154 18.841 3.691 1.679 1.00 0.00 O ATOM 191 CB TRP A 154 17.485 6.449 1.213 1.00 0.00 C ATOM 192 CG TRP A 154 18.096 7.808 1.089 1.00 0.00 C ATOM 193 CD1 TRP A 154 17.801 8.706 0.121 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.096 8.437 1.942 1.00 0.00 C ATOM 195 NE1 TRP A 154 18.559 9.846 0.323 1.00 0.00 N ATOM 196 CE2 TRP A 154 19.372 9.729 1.433 1.00 0.00 C ATOM 197 CE3 TRP A 154 19.785 8.015 3.095 1.00 0.00 C ATOM 198 CZ2 TRP A 154 20.299 10.573 2.048 1.00 0.00 C ATOM 199 CZ3 TRP A 154 20.719 8.862 3.716 1.00 0.00 C ATOM 200 CH2 TRP A 154 20.975 10.138 3.193 1.00 0.00 C ATOM 0 H TRP A 154 16.502 5.741 -1.058 1.00 0.00 H new ATOM 0 HA TRP A 154 19.223 5.781 0.130 1.00 0.00 H new ATOM 0 HB2 TRP A 154 16.418 6.496 0.995 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.586 6.084 2.235 1.00 0.00 H new ATOM 0 HD1 TRP A 154 17.090 8.557 -0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 154 18.522 10.672 -0.275 1.00 0.00 H new ATOM 0 HE3 TRP A 154 19.595 7.034 3.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 20.493 11.555 1.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 21.242 8.529 4.600 1.00 0.00 H new ATOM 0 HH2 TRP A 154 21.694 10.785 3.674 1.00 0.00 H new ATOM 211 N GLY A 155 17.213 3.266 0.267 1.00 0.00 N ATOM 212 CA GLY A 155 17.091 1.865 0.758 1.00 0.00 C ATOM 213 C GLY A 155 15.793 1.710 1.552 1.00 0.00 C ATOM 214 O GLY A 155 15.735 0.992 2.530 1.00 0.00 O ATOM 0 H GLY A 155 16.567 3.523 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 155 17.099 1.172 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.946 1.614 1.386 1.00 0.00 H new ATOM 218 N LYS A 156 14.752 2.381 1.142 1.00 0.00 N ATOM 219 CA LYS A 156 13.460 2.273 1.877 1.00 0.00 C ATOM 220 C LYS A 156 12.308 2.154 0.877 1.00 0.00 C ATOM 221 O LYS A 156 12.516 2.076 -0.317 1.00 0.00 O ATOM 222 CB LYS A 156 13.263 3.519 2.743 1.00 0.00 C ATOM 223 CG LYS A 156 14.374 3.593 3.793 1.00 0.00 C ATOM 224 CD LYS A 156 13.905 4.441 4.976 1.00 0.00 C ATOM 225 CE LYS A 156 13.553 3.528 6.152 1.00 0.00 C ATOM 226 NZ LYS A 156 14.180 4.057 7.396 1.00 0.00 N ATOM 0 H LYS A 156 14.740 2.999 0.331 1.00 0.00 H new ATOM 0 HA LYS A 156 13.476 1.388 2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.277 4.413 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.289 3.485 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.635 2.591 4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.273 4.026 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 156 14.688 5.142 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.036 5.034 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 156 12.471 3.473 6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 156 13.904 2.515 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 13.941 3.437 8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 15.213 4.088 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 13.824 5.016 7.583 1.00 0.00 H new ATOM 240 N PHE A 157 11.094 2.139 1.356 1.00 0.00 N ATOM 241 CA PHE A 157 9.928 2.024 0.433 1.00 0.00 C ATOM 242 C PHE A 157 8.765 2.851 0.984 1.00 0.00 C ATOM 243 O PHE A 157 8.911 3.568 1.954 1.00 0.00 O ATOM 244 CB PHE A 157 9.508 0.557 0.319 1.00 0.00 C ATOM 245 CG PHE A 157 10.536 -0.194 -0.490 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.790 -0.478 0.068 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.243 -0.603 -1.798 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.749 -1.170 -0.681 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.203 -1.296 -2.547 1.00 0.00 C ATOM 250 CZ PHE A 157 12.456 -1.579 -1.988 1.00 0.00 C ATOM 0 H PHE A 157 10.859 2.201 2.347 1.00 0.00 H new ATOM 0 HA PHE A 157 10.204 2.396 -0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.415 0.115 1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.530 0.483 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.016 -0.163 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.277 -0.384 -2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.715 -1.389 -0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.977 -1.612 -3.555 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.196 -2.113 -2.565 1.00 0.00 H new ATOM 260 N ALA A 158 7.614 2.765 0.377 1.00 0.00 N ATOM 261 CA ALA A 158 6.457 3.558 0.879 1.00 0.00 C ATOM 262 C ALA A 158 5.144 2.876 0.497 1.00 0.00 C ATOM 263 O ALA A 158 4.742 2.878 -0.650 1.00 0.00 O ATOM 264 CB ALA A 158 6.495 4.958 0.265 1.00 0.00 C ATOM 0 H ALA A 158 7.425 2.184 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 158 6.520 3.627 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.649 5.539 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.424 5.453 0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.439 4.881 -0.821 1.00 0.00 H new ATOM 270 N ALA A 159 4.463 2.308 1.454 1.00 0.00 N ATOM 271 CA ALA A 159 3.166 1.645 1.150 1.00 0.00 C ATOM 272 C ALA A 159 2.068 2.710 1.117 1.00 0.00 C ATOM 273 O ALA A 159 1.823 3.390 2.093 1.00 0.00 O ATOM 274 CB ALA A 159 2.849 0.616 2.239 1.00 0.00 C ATOM 0 H ALA A 159 4.749 2.275 2.432 1.00 0.00 H new ATOM 0 HA ALA A 159 3.223 1.139 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.899 0.131 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.640 -0.133 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.782 1.117 3.205 1.00 0.00 H new ATOM 280 N GLU A 160 1.409 2.869 0.003 1.00 0.00 N ATOM 281 CA GLU A 160 0.334 3.898 -0.083 1.00 0.00 C ATOM 282 C GLU A 160 -0.890 3.296 -0.774 1.00 0.00 C ATOM 283 O GLU A 160 -0.892 2.145 -1.162 1.00 0.00 O ATOM 284 CB GLU A 160 0.835 5.100 -0.888 1.00 0.00 C ATOM 285 CG GLU A 160 2.256 5.458 -0.443 1.00 0.00 C ATOM 286 CD GLU A 160 2.982 6.180 -1.582 1.00 0.00 C ATOM 287 OE1 GLU A 160 2.355 6.414 -2.602 1.00 0.00 O ATOM 288 OE2 GLU A 160 4.151 6.486 -1.413 1.00 0.00 O ATOM 0 H GLU A 160 1.567 2.333 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 160 0.063 4.224 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.824 4.868 -1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.171 5.952 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.222 6.094 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.800 4.555 -0.166 1.00 0.00 H new ATOM 295 N ILE A 161 -1.935 4.062 -0.928 1.00 0.00 N ATOM 296 CA ILE A 161 -3.155 3.523 -1.589 1.00 0.00 C ATOM 297 C ILE A 161 -4.182 4.644 -1.765 1.00 0.00 C ATOM 298 O ILE A 161 -4.353 5.483 -0.904 1.00 0.00 O ATOM 299 CB ILE A 161 -3.752 2.419 -0.715 1.00 0.00 C ATOM 300 CG1 ILE A 161 -4.954 1.798 -1.429 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.204 3.016 0.618 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.677 0.843 -0.476 1.00 0.00 C ATOM 0 H ILE A 161 -1.996 5.034 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.893 3.118 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.000 1.651 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.636 2.580 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.624 1.261 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.630 2.231 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.348 3.460 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.957 3.783 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.533 0.401 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -4.993 0.054 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.020 1.394 0.400 1.00 0.00 H new ATOM 314 N ARG A 162 -4.871 4.660 -2.874 1.00 0.00 N ATOM 315 CA ARG A 162 -5.890 5.723 -3.102 1.00 0.00 C ATOM 316 C ARG A 162 -7.143 5.408 -2.280 1.00 0.00 C ATOM 317 O ARG A 162 -7.590 4.280 -2.224 1.00 0.00 O ATOM 318 CB ARG A 162 -6.254 5.775 -4.588 1.00 0.00 C ATOM 319 CG ARG A 162 -7.448 6.710 -4.794 1.00 0.00 C ATOM 320 CD ARG A 162 -7.993 6.538 -6.212 1.00 0.00 C ATOM 321 NE ARG A 162 -7.742 7.780 -6.995 1.00 0.00 N ATOM 322 CZ ARG A 162 -8.705 8.319 -7.693 1.00 0.00 C ATOM 323 NH1 ARG A 162 -9.283 7.636 -8.643 1.00 0.00 N ATOM 324 NH2 ARG A 162 -9.088 9.541 -7.441 1.00 0.00 N ATOM 0 H ARG A 162 -4.772 3.983 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.485 6.687 -2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.401 6.125 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.496 4.775 -4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -8.227 6.488 -4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.145 7.745 -4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -7.514 5.687 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -9.062 6.326 -6.179 1.00 0.00 H new ATOM 0 HE ARG A 162 -6.817 8.210 -6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -8.983 6.681 -8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -10.035 8.057 -9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -8.635 10.075 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -9.840 9.962 -7.986 1.00 0.00 H new ATOM 338 N ASP A 163 -7.712 6.395 -1.642 1.00 0.00 N ATOM 339 CA ASP A 163 -8.933 6.149 -0.825 1.00 0.00 C ATOM 340 C ASP A 163 -10.139 6.827 -1.486 1.00 0.00 C ATOM 341 O ASP A 163 -10.316 8.023 -1.361 1.00 0.00 O ATOM 342 CB ASP A 163 -8.732 6.728 0.577 1.00 0.00 C ATOM 343 CG ASP A 163 -9.628 5.986 1.569 1.00 0.00 C ATOM 344 OD1 ASP A 163 -10.709 5.581 1.173 1.00 0.00 O ATOM 345 OD2 ASP A 163 -9.219 5.836 2.708 1.00 0.00 O ATOM 0 H ASP A 163 -7.384 7.361 -1.652 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.112 5.076 -0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.687 6.635 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.971 7.792 0.580 1.00 0.00 H new ATOM 350 N PRO A 164 -10.934 6.044 -2.172 1.00 0.00 N ATOM 351 CA PRO A 164 -12.133 6.545 -2.866 1.00 0.00 C ATOM 352 C PRO A 164 -13.269 6.776 -1.865 1.00 0.00 C ATOM 353 O PRO A 164 -14.168 7.559 -2.101 1.00 0.00 O ATOM 354 CB PRO A 164 -12.483 5.418 -3.841 1.00 0.00 C ATOM 355 CG PRO A 164 -11.837 4.133 -3.271 1.00 0.00 C ATOM 356 CD PRO A 164 -10.714 4.590 -2.321 1.00 0.00 C ATOM 0 HA PRO A 164 -11.972 7.499 -3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.563 5.303 -3.931 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -12.102 5.635 -4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.574 3.532 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.438 3.512 -4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.772 4.078 -1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.729 4.377 -2.737 1.00 0.00 H new ATOM 364 N ALA A 165 -13.236 6.100 -0.750 1.00 0.00 N ATOM 365 CA ALA A 165 -14.309 6.278 0.264 1.00 0.00 C ATOM 366 C ALA A 165 -14.186 7.664 0.898 1.00 0.00 C ATOM 367 O ALA A 165 -15.169 8.311 1.199 1.00 0.00 O ATOM 368 CB ALA A 165 -14.173 5.206 1.346 1.00 0.00 C ATOM 0 H ALA A 165 -12.509 5.430 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.283 6.184 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -14.960 5.337 2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.262 4.219 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.200 5.297 1.828 1.00 0.00 H new ATOM 374 N LYS A 166 -12.982 8.125 1.104 1.00 0.00 N ATOM 375 CA LYS A 166 -12.793 9.468 1.720 1.00 0.00 C ATOM 376 C LYS A 166 -12.527 10.500 0.621 1.00 0.00 C ATOM 377 O LYS A 166 -11.497 11.145 0.598 1.00 0.00 O ATOM 378 CB LYS A 166 -11.602 9.423 2.679 1.00 0.00 C ATOM 379 CG LYS A 166 -11.781 8.260 3.654 1.00 0.00 C ATOM 380 CD LYS A 166 -11.814 8.793 5.087 1.00 0.00 C ATOM 381 CE LYS A 166 -11.868 7.622 6.069 1.00 0.00 C ATOM 382 NZ LYS A 166 -12.136 8.135 7.443 1.00 0.00 N ATOM 0 H LYS A 166 -12.121 7.629 0.872 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.692 9.748 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.674 9.304 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.526 10.363 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.705 7.725 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.965 7.547 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -10.931 9.402 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -12.682 9.438 5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -12.648 6.921 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -10.925 7.075 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -12.173 7.338 8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -11.376 8.787 7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -13.046 8.638 7.454 1.00 0.00 H new ATOM 396 N ASN A 167 -13.452 10.659 -0.290 1.00 0.00 N ATOM 397 CA ASN A 167 -13.262 11.647 -1.392 1.00 0.00 C ATOM 398 C ASN A 167 -11.820 11.583 -1.903 1.00 0.00 C ATOM 399 O ASN A 167 -11.161 12.590 -2.061 1.00 0.00 O ATOM 400 CB ASN A 167 -13.559 13.058 -0.877 1.00 0.00 C ATOM 401 CG ASN A 167 -12.489 13.471 0.134 1.00 0.00 C ATOM 402 OD1 ASN A 167 -12.647 13.168 1.394 1.00 0.00 O flip ATOM 403 ND2 ASN A 167 -11.499 14.078 -0.225 1.00 0.00 N flip ATOM 0 H ASN A 167 -14.333 10.145 -0.318 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.945 11.408 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.579 13.763 -1.708 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -14.544 13.086 -0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -11.375 14.315 -1.209 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -10.792 14.350 0.458 1.00 0.00 H new ATOM 410 N GLY A 168 -11.327 10.402 -2.164 1.00 0.00 N ATOM 411 CA GLY A 168 -9.930 10.272 -2.667 1.00 0.00 C ATOM 412 C GLY A 168 -8.943 10.489 -1.518 1.00 0.00 C ATOM 413 O GLY A 168 -8.884 9.716 -0.583 1.00 0.00 O ATOM 0 H GLY A 168 -11.831 9.523 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.782 9.285 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.749 11.001 -3.457 1.00 0.00 H new ATOM 417 N ALA A 169 -8.164 11.536 -1.580 1.00 0.00 N ATOM 418 CA ALA A 169 -7.182 11.798 -0.491 1.00 0.00 C ATOM 419 C ALA A 169 -6.161 10.657 -0.439 1.00 0.00 C ATOM 420 O ALA A 169 -6.392 9.633 0.172 1.00 0.00 O ATOM 421 CB ALA A 169 -7.917 11.886 0.847 1.00 0.00 C ATOM 0 H ALA A 169 -8.166 12.220 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 169 -6.666 12.738 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.199 12.078 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.644 12.697 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.433 10.946 1.041 1.00 0.00 H new ATOM 427 N ARG A 170 -5.035 10.823 -1.080 1.00 0.00 N ATOM 428 CA ARG A 170 -4.004 9.744 -1.068 1.00 0.00 C ATOM 429 C ARG A 170 -3.835 9.209 0.355 1.00 0.00 C ATOM 430 O ARG A 170 -4.143 9.876 1.322 1.00 0.00 O ATOM 431 CB ARG A 170 -2.671 10.303 -1.568 1.00 0.00 C ATOM 432 CG ARG A 170 -2.276 11.518 -0.728 1.00 0.00 C ATOM 433 CD ARG A 170 -1.615 12.564 -1.629 1.00 0.00 C ATOM 434 NE ARG A 170 -0.828 13.514 -0.795 1.00 0.00 N ATOM 435 CZ ARG A 170 -0.613 14.730 -1.219 1.00 0.00 C ATOM 436 NH1 ARG A 170 -1.549 15.632 -1.113 1.00 0.00 N ATOM 437 NH2 ARG A 170 0.537 15.041 -1.751 1.00 0.00 N ATOM 0 H ARG A 170 -4.784 11.657 -1.611 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.324 8.933 -1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -1.898 9.538 -1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.754 10.586 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.156 11.942 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -1.590 11.219 0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -0.964 12.075 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -2.374 13.104 -2.195 1.00 0.00 H new ATOM 0 HE ARG A 170 -0.457 13.215 0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -2.449 15.387 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -1.381 16.582 -1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 170 1.268 14.334 -1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 170 0.705 15.991 -2.082 1.00 0.00 H new ATOM 451 N VAL A 171 -3.348 8.005 0.488 1.00 0.00 N ATOM 452 CA VAL A 171 -3.159 7.422 1.846 1.00 0.00 C ATOM 453 C VAL A 171 -1.736 6.876 1.980 1.00 0.00 C ATOM 454 O VAL A 171 -1.461 5.743 1.636 1.00 0.00 O ATOM 455 CB VAL A 171 -4.162 6.284 2.055 1.00 0.00 C ATOM 456 CG1 VAL A 171 -3.769 5.472 3.291 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.560 6.869 2.257 1.00 0.00 C ATOM 0 H VAL A 171 -3.073 7.400 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.321 8.196 2.596 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.159 5.635 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.485 4.663 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -2.772 5.054 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -3.770 6.120 4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.275 6.060 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.560 7.519 3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -5.843 7.446 1.377 1.00 0.00 H new ATOM 467 N TRP A 172 -0.832 7.671 2.481 1.00 0.00 N ATOM 468 CA TRP A 172 0.571 7.195 2.645 1.00 0.00 C ATOM 469 C TRP A 172 0.664 6.334 3.907 1.00 0.00 C ATOM 470 O TRP A 172 0.860 6.834 4.996 1.00 0.00 O ATOM 471 CB TRP A 172 1.502 8.403 2.776 1.00 0.00 C ATOM 472 CG TRP A 172 2.919 7.939 2.907 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.451 7.363 4.012 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.992 8.007 1.925 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.780 7.073 3.767 1.00 0.00 N ATOM 476 CE2 TRP A 172 5.161 7.449 2.496 1.00 0.00 C ATOM 477 CE3 TRP A 172 4.064 8.492 0.605 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.358 7.375 1.787 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.270 8.420 -0.115 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.414 7.862 0.475 1.00 0.00 C ATOM 0 H TRP A 172 -1.003 8.630 2.784 1.00 0.00 H new ATOM 0 HA TRP A 172 0.866 6.604 1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.400 9.048 1.904 1.00 0.00 H new ATOM 0 HB3 TRP A 172 1.222 8.997 3.646 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.923 7.163 4.933 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.404 6.634 4.444 1.00 0.00 H new ATOM 0 HE3 TRP A 172 3.188 8.922 0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 7.236 6.945 2.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.316 8.796 -1.126 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.338 7.808 -0.082 1.00 0.00 H new ATOM 491 N LEU A 173 0.517 5.042 3.771 1.00 0.00 N ATOM 492 CA LEU A 173 0.593 4.156 4.967 1.00 0.00 C ATOM 493 C LEU A 173 1.897 4.424 5.718 1.00 0.00 C ATOM 494 O LEU A 173 1.932 4.458 6.932 1.00 0.00 O ATOM 495 CB LEU A 173 0.552 2.690 4.529 1.00 0.00 C ATOM 496 CG LEU A 173 -0.719 2.433 3.718 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.526 1.194 2.844 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.892 2.205 4.674 1.00 0.00 C ATOM 0 H LEU A 173 0.348 4.564 2.886 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.255 4.362 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.432 2.454 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.577 2.038 5.402 1.00 0.00 H new ATOM 0 HG LEU A 173 -0.927 3.294 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.432 1.011 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 173 0.311 1.355 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.319 0.331 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.800 2.022 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.683 1.343 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -2.030 3.088 5.298 1.00 0.00 H new ATOM 510 N GLY A 174 2.970 4.619 5.004 1.00 0.00 N ATOM 511 CA GLY A 174 4.272 4.888 5.676 1.00 0.00 C ATOM 512 C GLY A 174 5.411 4.321 4.830 1.00 0.00 C ATOM 513 O GLY A 174 5.211 3.880 3.717 1.00 0.00 O ATOM 0 H GLY A 174 3.002 4.604 3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.407 5.961 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.282 4.435 6.668 1.00 0.00 H new ATOM 517 N THR A 175 6.607 4.327 5.350 1.00 0.00 N ATOM 518 CA THR A 175 7.757 3.785 4.573 1.00 0.00 C ATOM 519 C THR A 175 8.116 2.401 5.114 1.00 0.00 C ATOM 520 O THR A 175 7.842 2.080 6.254 1.00 0.00 O ATOM 521 CB THR A 175 8.965 4.719 4.701 1.00 0.00 C ATOM 522 OG1 THR A 175 9.808 4.261 5.750 1.00 0.00 O ATOM 523 CG2 THR A 175 8.491 6.142 5.001 1.00 0.00 C ATOM 0 H THR A 175 6.838 4.683 6.278 1.00 0.00 H new ATOM 0 HA THR A 175 7.481 3.710 3.521 1.00 0.00 H new ATOM 0 HB THR A 175 9.522 4.721 3.764 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.582 4.857 5.832 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.354 6.802 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.851 6.491 4.191 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.930 6.149 5.935 1.00 0.00 H new ATOM 531 N PHE A 176 8.716 1.574 4.306 1.00 0.00 N ATOM 532 CA PHE A 176 9.078 0.208 4.776 1.00 0.00 C ATOM 533 C PHE A 176 10.547 -0.080 4.447 1.00 0.00 C ATOM 534 O PHE A 176 11.168 0.619 3.673 1.00 0.00 O ATOM 535 CB PHE A 176 8.176 -0.813 4.084 1.00 0.00 C ATOM 536 CG PHE A 176 6.796 -0.738 4.692 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.880 0.223 4.241 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.433 -1.626 5.713 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.603 0.295 4.812 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.156 -1.555 6.282 1.00 0.00 C ATOM 541 CZ PHE A 176 4.240 -0.594 5.832 1.00 0.00 C ATOM 0 H PHE A 176 8.972 1.784 3.341 1.00 0.00 H new ATOM 0 HA PHE A 176 8.941 0.141 5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.128 -0.610 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.585 -1.817 4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.159 0.907 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.139 -2.366 6.061 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.898 1.036 4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.876 -2.241 7.068 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.255 -0.539 6.271 1.00 0.00 H new ATOM 551 N GLU A 177 11.110 -1.099 5.040 1.00 0.00 N ATOM 552 CA GLU A 177 12.541 -1.421 4.769 1.00 0.00 C ATOM 553 C GLU A 177 12.674 -2.130 3.419 1.00 0.00 C ATOM 554 O GLU A 177 13.745 -2.201 2.850 1.00 0.00 O ATOM 555 CB GLU A 177 13.076 -2.333 5.875 1.00 0.00 C ATOM 556 CG GLU A 177 14.339 -1.716 6.479 1.00 0.00 C ATOM 557 CD GLU A 177 13.948 -0.628 7.480 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.263 -0.950 8.437 1.00 0.00 O ATOM 559 OE2 GLU A 177 14.338 0.509 7.273 1.00 0.00 O ATOM 0 H GLU A 177 10.642 -1.721 5.699 1.00 0.00 H new ATOM 0 HA GLU A 177 13.115 -0.495 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.319 -2.468 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.298 -3.321 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.931 -2.485 6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.962 -1.293 5.691 1.00 0.00 H new ATOM 566 N THR A 178 11.600 -2.659 2.900 1.00 0.00 N ATOM 567 CA THR A 178 11.683 -3.363 1.590 1.00 0.00 C ATOM 568 C THR A 178 10.324 -3.308 0.893 1.00 0.00 C ATOM 569 O THR A 178 9.310 -3.047 1.510 1.00 0.00 O ATOM 570 CB THR A 178 12.082 -4.822 1.820 1.00 0.00 C ATOM 571 OG1 THR A 178 10.921 -5.592 2.100 1.00 0.00 O ATOM 572 CG2 THR A 178 13.051 -4.907 3.000 1.00 0.00 C ATOM 0 H THR A 178 10.673 -2.634 3.324 1.00 0.00 H new ATOM 0 HA THR A 178 12.430 -2.877 0.963 1.00 0.00 H new ATOM 0 HB THR A 178 12.568 -5.211 0.925 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.176 -6.527 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.335 -5.947 3.163 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.942 -4.317 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.568 -4.518 3.896 1.00 0.00 H new ATOM 580 N ALA A 179 10.294 -3.553 -0.388 1.00 0.00 N ATOM 581 CA ALA A 179 8.999 -3.514 -1.120 1.00 0.00 C ATOM 582 C ALA A 179 8.107 -4.654 -0.634 1.00 0.00 C ATOM 583 O ALA A 179 6.905 -4.596 -0.749 1.00 0.00 O ATOM 584 CB ALA A 179 9.251 -3.672 -2.621 1.00 0.00 C ATOM 0 H ALA A 179 11.109 -3.778 -0.958 1.00 0.00 H new ATOM 0 HA ALA A 179 8.508 -2.559 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.301 -3.643 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 179 9.888 -2.860 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.744 -4.626 -2.809 1.00 0.00 H new ATOM 590 N GLU A 180 8.685 -5.690 -0.090 1.00 0.00 N ATOM 591 CA GLU A 180 7.859 -6.829 0.404 1.00 0.00 C ATOM 592 C GLU A 180 7.139 -6.418 1.687 1.00 0.00 C ATOM 593 O GLU A 180 5.991 -6.753 1.901 1.00 0.00 O ATOM 594 CB GLU A 180 8.761 -8.033 0.686 1.00 0.00 C ATOM 595 CG GLU A 180 7.898 -9.249 1.024 1.00 0.00 C ATOM 596 CD GLU A 180 8.122 -9.642 2.486 1.00 0.00 C ATOM 597 OE1 GLU A 180 8.277 -8.749 3.302 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.134 -10.830 2.763 1.00 0.00 O ATOM 0 H GLU A 180 9.692 -5.797 0.034 1.00 0.00 H new ATOM 0 HA GLU A 180 7.124 -7.098 -0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.384 -8.246 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.434 -7.810 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.846 -9.020 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 180 8.152 -10.082 0.369 1.00 0.00 H new ATOM 605 N ASP A 181 7.803 -5.693 2.543 1.00 0.00 N ATOM 606 CA ASP A 181 7.158 -5.260 3.811 1.00 0.00 C ATOM 607 C ASP A 181 6.115 -4.182 3.507 1.00 0.00 C ATOM 608 O ASP A 181 5.041 -4.168 4.075 1.00 0.00 O ATOM 609 CB ASP A 181 8.220 -4.690 4.752 1.00 0.00 C ATOM 610 CG ASP A 181 9.548 -5.421 4.539 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.564 -6.632 4.680 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.526 -4.756 4.241 1.00 0.00 O ATOM 0 H ASP A 181 8.766 -5.382 2.418 1.00 0.00 H new ATOM 0 HA ASP A 181 6.673 -6.114 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.348 -3.623 4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.897 -4.798 5.787 1.00 0.00 H new ATOM 617 N ALA A 182 6.422 -3.280 2.616 1.00 0.00 N ATOM 618 CA ALA A 182 5.448 -2.205 2.278 1.00 0.00 C ATOM 619 C ALA A 182 4.279 -2.803 1.496 1.00 0.00 C ATOM 620 O ALA A 182 3.156 -2.352 1.598 1.00 0.00 O ATOM 621 CB ALA A 182 6.138 -1.138 1.425 1.00 0.00 C ATOM 0 H ALA A 182 7.305 -3.241 2.107 1.00 0.00 H new ATOM 0 HA ALA A 182 5.077 -1.751 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.424 -0.352 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.971 -0.710 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.510 -1.591 0.506 1.00 0.00 H new ATOM 627 N ALA A 183 4.532 -3.818 0.720 1.00 0.00 N ATOM 628 CA ALA A 183 3.431 -4.445 -0.060 1.00 0.00 C ATOM 629 C ALA A 183 2.522 -5.207 0.900 1.00 0.00 C ATOM 630 O ALA A 183 1.312 -5.171 0.785 1.00 0.00 O ATOM 631 CB ALA A 183 4.010 -5.415 -1.093 1.00 0.00 C ATOM 0 H ALA A 183 5.452 -4.240 0.592 1.00 0.00 H new ATOM 0 HA ALA A 183 2.864 -3.673 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.198 -5.870 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.668 -4.873 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.577 -6.194 -0.583 1.00 0.00 H new ATOM 637 N LEU A 184 3.098 -5.892 1.851 1.00 0.00 N ATOM 638 CA LEU A 184 2.270 -6.653 2.826 1.00 0.00 C ATOM 639 C LEU A 184 1.375 -5.679 3.589 1.00 0.00 C ATOM 640 O LEU A 184 0.188 -5.895 3.739 1.00 0.00 O ATOM 641 CB LEU A 184 3.184 -7.387 3.811 1.00 0.00 C ATOM 642 CG LEU A 184 2.342 -8.295 4.708 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.588 -9.308 3.844 1.00 0.00 C ATOM 644 CD2 LEU A 184 3.257 -9.039 5.683 1.00 0.00 C ATOM 0 H LEU A 184 4.106 -5.957 1.994 1.00 0.00 H new ATOM 0 HA LEU A 184 1.654 -7.380 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.922 -7.977 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.735 -6.668 4.418 1.00 0.00 H new ATOM 0 HG LEU A 184 1.628 -7.691 5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.988 -9.956 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 184 0.936 -8.779 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.302 -9.912 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.657 -9.686 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 184 3.971 -9.643 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.795 -8.318 6.299 1.00 0.00 H new ATOM 656 N ALA A 185 1.934 -4.601 4.061 1.00 0.00 N ATOM 657 CA ALA A 185 1.115 -3.604 4.804 1.00 0.00 C ATOM 658 C ALA A 185 0.164 -2.919 3.825 1.00 0.00 C ATOM 659 O ALA A 185 -0.865 -2.394 4.202 1.00 0.00 O ATOM 660 CB ALA A 185 2.034 -2.563 5.444 1.00 0.00 C ATOM 0 H ALA A 185 2.922 -4.367 3.965 1.00 0.00 H new ATOM 0 HA ALA A 185 0.542 -4.102 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.434 -1.833 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.718 -3.057 6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.606 -2.056 4.667 1.00 0.00 H new ATOM 666 N TYR A 186 0.500 -2.929 2.564 1.00 0.00 N ATOM 667 CA TYR A 186 -0.380 -2.289 1.548 1.00 0.00 C ATOM 668 C TYR A 186 -1.625 -3.149 1.349 1.00 0.00 C ATOM 669 O TYR A 186 -2.688 -2.655 1.039 1.00 0.00 O ATOM 670 CB TYR A 186 0.372 -2.180 0.220 1.00 0.00 C ATOM 671 CG TYR A 186 -0.597 -1.821 -0.882 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.433 -2.804 -1.427 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.661 -0.505 -1.357 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.333 -2.472 -2.447 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.562 -0.172 -2.378 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.398 -1.155 -2.922 1.00 0.00 C ATOM 677 OH TYR A 186 -3.287 -0.827 -3.926 1.00 0.00 O ATOM 0 H TYR A 186 1.350 -3.355 2.193 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.668 -1.294 1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 186 1.152 -1.422 0.293 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.865 -3.125 -0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.383 -3.819 -1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.016 0.253 -0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -2.977 -3.230 -2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.611 0.843 -2.745 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.205 0.126 -4.137 1.00 0.00 H new ATOM 687 N ASP A 187 -1.498 -4.434 1.516 1.00 0.00 N ATOM 688 CA ASP A 187 -2.668 -5.327 1.331 1.00 0.00 C ATOM 689 C ASP A 187 -3.669 -5.093 2.457 1.00 0.00 C ATOM 690 O ASP A 187 -4.846 -4.892 2.228 1.00 0.00 O ATOM 691 CB ASP A 187 -2.190 -6.777 1.363 1.00 0.00 C ATOM 692 CG ASP A 187 -1.066 -6.968 0.344 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.097 -6.295 -0.674 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.195 -7.784 0.597 1.00 0.00 O ATOM 0 H ASP A 187 -0.630 -4.904 1.774 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.149 -5.117 0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.836 -7.032 2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.018 -7.449 1.137 1.00 0.00 H new ATOM 699 N ARG A 188 -3.210 -5.121 3.674 1.00 0.00 N ATOM 700 CA ARG A 188 -4.129 -4.906 4.827 1.00 0.00 C ATOM 701 C ARG A 188 -4.878 -3.582 4.657 1.00 0.00 C ATOM 702 O ARG A 188 -6.044 -3.475 4.980 1.00 0.00 O ATOM 703 CB ARG A 188 -3.323 -4.869 6.125 1.00 0.00 C ATOM 704 CG ARG A 188 -3.632 -6.119 6.952 1.00 0.00 C ATOM 705 CD ARG A 188 -2.553 -6.303 8.020 1.00 0.00 C ATOM 706 NE ARG A 188 -2.492 -7.736 8.423 1.00 0.00 N ATOM 707 CZ ARG A 188 -3.301 -8.190 9.341 1.00 0.00 C ATOM 708 NH1 ARG A 188 -4.585 -8.240 9.114 1.00 0.00 N ATOM 709 NH2 ARG A 188 -2.825 -8.595 10.487 1.00 0.00 N ATOM 0 H ARG A 188 -2.234 -5.284 3.923 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.848 -5.724 4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.257 -4.821 5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.570 -3.973 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -4.611 -6.025 7.421 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -3.672 -6.995 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -1.586 -5.981 7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.774 -5.680 8.886 1.00 0.00 H new ATOM 0 HE ARG A 188 -1.818 -8.362 7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -4.957 -7.924 8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -5.216 -8.595 9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -1.821 -8.557 10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -3.457 -8.950 11.205 1.00 0.00 H new ATOM 723 N ALA A 189 -4.223 -2.573 4.155 1.00 0.00 N ATOM 724 CA ALA A 189 -4.914 -1.264 3.975 1.00 0.00 C ATOM 725 C ALA A 189 -5.798 -1.322 2.729 1.00 0.00 C ATOM 726 O ALA A 189 -6.825 -0.675 2.651 1.00 0.00 O ATOM 727 CB ALA A 189 -3.874 -0.153 3.815 1.00 0.00 C ATOM 0 H ALA A 189 -3.246 -2.596 3.863 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.532 -1.056 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.380 0.803 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.246 -0.112 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.254 -0.358 2.942 1.00 0.00 H new ATOM 733 N ALA A 190 -5.411 -2.101 1.758 1.00 0.00 N ATOM 734 CA ALA A 190 -6.226 -2.210 0.518 1.00 0.00 C ATOM 735 C ALA A 190 -7.359 -3.211 0.742 1.00 0.00 C ATOM 736 O ALA A 190 -8.189 -3.424 -0.117 1.00 0.00 O ATOM 737 CB ALA A 190 -5.341 -2.688 -0.635 1.00 0.00 C ATOM 0 H ALA A 190 -4.563 -2.668 1.770 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.646 -1.235 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -5.938 -2.768 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.533 -1.974 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -4.920 -3.663 -0.391 1.00 0.00 H new ATOM 743 N PHE A 191 -7.405 -3.826 1.893 1.00 0.00 N ATOM 744 CA PHE A 191 -8.490 -4.806 2.168 1.00 0.00 C ATOM 745 C PHE A 191 -9.574 -4.124 3.003 1.00 0.00 C ATOM 746 O PHE A 191 -10.754 -4.309 2.780 1.00 0.00 O ATOM 747 CB PHE A 191 -7.918 -5.998 2.937 1.00 0.00 C ATOM 748 CG PHE A 191 -8.904 -7.140 2.907 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.930 -8.015 1.813 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.792 -7.328 3.975 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.844 -9.077 1.786 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.706 -8.390 3.948 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.732 -9.265 2.854 1.00 0.00 C ATOM 0 H PHE A 191 -6.738 -3.691 2.653 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.918 -5.159 1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.972 -6.309 2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.709 -5.712 3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -8.245 -7.871 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.772 -6.654 4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -9.864 -9.751 0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -11.391 -8.534 4.771 1.00 0.00 H new ATOM 0 HZ PHE A 191 -11.436 -10.084 2.834 1.00 0.00 H new ATOM 763 N ARG A 192 -9.180 -3.325 3.954 1.00 0.00 N ATOM 764 CA ARG A 192 -10.184 -2.619 4.794 1.00 0.00 C ATOM 765 C ARG A 192 -10.977 -1.660 3.909 1.00 0.00 C ATOM 766 O ARG A 192 -12.191 -1.639 3.924 1.00 0.00 O ATOM 767 CB ARG A 192 -9.471 -1.830 5.894 1.00 0.00 C ATOM 768 CG ARG A 192 -9.483 -2.640 7.193 1.00 0.00 C ATOM 769 CD ARG A 192 -8.288 -2.237 8.060 1.00 0.00 C ATOM 770 NE ARG A 192 -7.756 -3.438 8.764 1.00 0.00 N ATOM 771 CZ ARG A 192 -8.214 -3.762 9.943 1.00 0.00 C ATOM 772 NH1 ARG A 192 -9.501 -3.808 10.152 1.00 0.00 N ATOM 773 NH2 ARG A 192 -7.385 -4.042 10.911 1.00 0.00 N ATOM 0 H ARG A 192 -8.206 -3.131 4.185 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.857 -3.343 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.445 -1.616 5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.965 -0.871 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.413 -2.465 7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -9.440 -3.706 6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -7.510 -1.791 7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -8.590 -1.481 8.785 1.00 0.00 H new ATOM 0 HE ARG A 192 -7.033 -4.008 8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -10.149 -3.591 9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -9.859 -4.061 11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -6.379 -4.008 10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -7.743 -4.295 11.832 1.00 0.00 H new ATOM 787 N MET A 193 -10.291 -0.874 3.129 1.00 0.00 N ATOM 788 CA MET A 193 -10.993 0.083 2.226 1.00 0.00 C ATOM 789 C MET A 193 -11.800 -0.704 1.195 1.00 0.00 C ATOM 790 O MET A 193 -12.914 -0.354 0.857 1.00 0.00 O ATOM 791 CB MET A 193 -9.962 0.944 1.498 1.00 0.00 C ATOM 792 CG MET A 193 -9.896 2.329 2.145 1.00 0.00 C ATOM 793 SD MET A 193 -8.992 2.221 3.709 1.00 0.00 S ATOM 794 CE MET A 193 -7.701 3.425 3.310 1.00 0.00 C ATOM 0 H MET A 193 -9.273 -0.852 3.077 1.00 0.00 H new ATOM 0 HA MET A 193 -11.656 0.720 2.812 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.983 0.467 1.537 1.00 0.00 H new ATOM 0 HB3 MET A 193 -10.229 1.036 0.445 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.402 3.032 1.475 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.903 2.709 2.320 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.723 2.950 3.390 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.845 3.790 2.293 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.756 4.262 4.006 1.00 0.00 H new ATOM 804 N ARG A 194 -11.240 -1.768 0.694 1.00 0.00 N ATOM 805 CA ARG A 194 -11.958 -2.592 -0.314 1.00 0.00 C ATOM 806 C ARG A 194 -12.449 -3.873 0.352 1.00 0.00 C ATOM 807 O ARG A 194 -12.445 -4.931 -0.246 1.00 0.00 O ATOM 808 CB ARG A 194 -11.008 -2.950 -1.456 1.00 0.00 C ATOM 809 CG ARG A 194 -10.960 -1.802 -2.464 1.00 0.00 C ATOM 810 CD ARG A 194 -10.060 -2.194 -3.636 1.00 0.00 C ATOM 811 NE ARG A 194 -10.444 -1.409 -4.843 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.883 -1.670 -5.992 1.00 0.00 C ATOM 813 NH1 ARG A 194 -10.204 -2.753 -6.645 1.00 0.00 N ATOM 814 NH2 ARG A 194 -8.998 -0.848 -6.486 1.00 0.00 N ATOM 0 H ARG A 194 -10.309 -2.104 0.942 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.804 -2.030 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.010 -3.145 -1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.342 -3.864 -1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.964 -1.575 -2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -10.581 -0.899 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.016 -2.007 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.153 -3.261 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 194 -11.143 -0.670 -4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -10.894 -3.397 -6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -9.765 -2.956 -7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -8.745 -0.003 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -8.559 -1.051 -7.384 1.00 0.00 H new ATOM 828 N GLY A 195 -12.860 -3.777 1.589 1.00 0.00 N ATOM 829 CA GLY A 195 -13.354 -4.981 2.326 1.00 0.00 C ATOM 830 C GLY A 195 -14.086 -5.918 1.363 1.00 0.00 C ATOM 831 O GLY A 195 -14.697 -5.481 0.409 1.00 0.00 O ATOM 0 H GLY A 195 -12.875 -2.910 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.517 -5.503 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.024 -4.676 3.130 1.00 0.00 H new ATOM 835 N SER A 196 -14.016 -7.201 1.601 1.00 0.00 N ATOM 836 CA SER A 196 -14.696 -8.174 0.698 1.00 0.00 C ATOM 837 C SER A 196 -13.824 -8.417 -0.537 1.00 0.00 C ATOM 838 O SER A 196 -13.778 -7.611 -1.446 1.00 0.00 O ATOM 839 CB SER A 196 -16.054 -7.620 0.263 1.00 0.00 C ATOM 840 OG SER A 196 -16.899 -8.696 -0.122 1.00 0.00 O ATOM 0 H SER A 196 -13.515 -7.618 2.385 1.00 0.00 H new ATOM 0 HA SER A 196 -14.847 -9.113 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 196 -16.509 -7.059 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 196 -15.927 -6.927 -0.568 1.00 0.00 H new ATOM 0 HG SER A 196 -17.771 -8.344 -0.400 1.00 0.00 H new ATOM 846 N ARG A 197 -13.133 -9.525 -0.574 1.00 0.00 N ATOM 847 CA ARG A 197 -12.262 -9.833 -1.745 1.00 0.00 C ATOM 848 C ARG A 197 -11.125 -8.808 -1.837 1.00 0.00 C ATOM 849 O ARG A 197 -10.110 -8.938 -1.181 1.00 0.00 O ATOM 850 CB ARG A 197 -13.099 -9.796 -3.026 1.00 0.00 C ATOM 851 CG ARG A 197 -12.192 -10.027 -4.237 1.00 0.00 C ATOM 852 CD ARG A 197 -13.054 -10.200 -5.488 1.00 0.00 C ATOM 853 NE ARG A 197 -13.971 -11.359 -5.301 1.00 0.00 N ATOM 854 CZ ARG A 197 -13.490 -12.571 -5.275 1.00 0.00 C ATOM 855 NH1 ARG A 197 -12.841 -13.038 -6.306 1.00 0.00 N ATOM 856 NH2 ARG A 197 -13.658 -13.318 -4.219 1.00 0.00 N ATOM 0 H ARG A 197 -13.135 -10.233 0.160 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.832 -10.827 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.875 -10.561 -2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.604 -8.834 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -11.513 -9.184 -4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -11.576 -10.912 -4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -13.630 -9.293 -5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.420 -10.361 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 197 -14.974 -11.205 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -12.710 -12.455 -7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -12.465 -13.986 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -14.166 -12.954 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -13.281 -14.266 -4.200 1.00 0.00 H new ATOM 870 N ALA A 198 -11.278 -7.794 -2.646 1.00 0.00 N ATOM 871 CA ALA A 198 -10.198 -6.774 -2.775 1.00 0.00 C ATOM 872 C ALA A 198 -8.938 -7.436 -3.339 1.00 0.00 C ATOM 873 O ALA A 198 -8.646 -8.581 -3.052 1.00 0.00 O ATOM 874 CB ALA A 198 -9.889 -6.176 -1.401 1.00 0.00 C ATOM 0 H ALA A 198 -12.103 -7.628 -3.222 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.526 -5.982 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -9.099 -5.431 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.786 -5.704 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -9.561 -6.966 -0.726 1.00 0.00 H new ATOM 880 N LEU A 199 -8.189 -6.726 -4.139 1.00 0.00 N ATOM 881 CA LEU A 199 -6.950 -7.316 -4.722 1.00 0.00 C ATOM 882 C LEU A 199 -5.725 -6.743 -4.007 1.00 0.00 C ATOM 883 O LEU A 199 -5.516 -5.545 -3.974 1.00 0.00 O ATOM 884 CB LEU A 199 -6.877 -6.979 -6.213 1.00 0.00 C ATOM 885 CG LEU A 199 -7.009 -8.262 -7.035 1.00 0.00 C ATOM 886 CD1 LEU A 199 -5.735 -9.095 -6.893 1.00 0.00 C ATOM 887 CD2 LEU A 199 -8.205 -9.071 -6.530 1.00 0.00 C ATOM 0 H LEU A 199 -8.382 -5.763 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.969 -8.398 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.672 -6.282 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.932 -6.486 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.159 -8.006 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -5.831 -10.009 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -4.882 -8.520 -7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -5.583 -9.351 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -8.299 -9.985 -7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -8.055 -9.326 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -9.114 -8.479 -6.633 1.00 0.00 H new ATOM 899 N LEU A 200 -4.911 -7.588 -3.435 1.00 0.00 N ATOM 900 CA LEU A 200 -3.696 -7.095 -2.721 1.00 0.00 C ATOM 901 C LEU A 200 -2.453 -7.716 -3.355 1.00 0.00 C ATOM 902 O LEU A 200 -2.501 -8.801 -3.899 1.00 0.00 O ATOM 903 CB LEU A 200 -3.744 -7.496 -1.238 1.00 0.00 C ATOM 904 CG LEU A 200 -5.123 -8.055 -0.880 1.00 0.00 C ATOM 905 CD1 LEU A 200 -5.068 -8.704 0.505 1.00 0.00 C ATOM 906 CD2 LEU A 200 -6.141 -6.915 -0.870 1.00 0.00 C ATOM 0 H LEU A 200 -5.034 -8.601 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.662 -6.008 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.977 -8.243 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.522 -6.631 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 200 -5.418 -8.802 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.050 -9.102 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.339 -9.514 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.776 -7.959 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -7.125 -7.308 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.846 -6.170 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.179 -6.453 -1.856 1.00 0.00 H new ATOM 918 N ASN A 201 -1.334 -7.049 -3.278 1.00 0.00 N ATOM 919 CA ASN A 201 -0.096 -7.636 -3.871 1.00 0.00 C ATOM 920 C ASN A 201 0.014 -9.079 -3.386 1.00 0.00 C ATOM 921 O ASN A 201 0.416 -9.966 -4.111 1.00 0.00 O ATOM 922 CB ASN A 201 1.158 -6.866 -3.425 1.00 0.00 C ATOM 923 CG ASN A 201 0.797 -5.445 -2.986 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.179 -5.029 -1.811 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.164 -4.711 -3.717 1.00 0.00 N flip ATOM 0 H ASN A 201 -1.222 -6.136 -2.837 1.00 0.00 H new ATOM 0 HA ASN A 201 -0.159 -7.580 -4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.641 -7.394 -2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 201 1.876 -6.827 -4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 201 -0.134 -5.039 -4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 201 -0.070 -3.766 -3.412 1.00 0.00 H new ATOM 932 N PHE A 202 -0.362 -9.313 -2.158 1.00 0.00 N ATOM 933 CA PHE A 202 -0.306 -10.691 -1.598 1.00 0.00 C ATOM 934 C PHE A 202 -1.720 -11.101 -1.179 1.00 0.00 C ATOM 935 O PHE A 202 -2.143 -10.823 -0.075 1.00 0.00 O ATOM 936 CB PHE A 202 0.618 -10.712 -0.376 1.00 0.00 C ATOM 937 CG PHE A 202 1.907 -9.998 -0.697 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.426 -10.042 -1.997 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.588 -9.297 0.307 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.626 -9.385 -2.294 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.788 -8.638 0.010 1.00 0.00 C ATOM 942 CZ PHE A 202 4.307 -8.683 -1.291 1.00 0.00 C ATOM 0 H PHE A 202 -0.708 -8.601 -1.514 1.00 0.00 H new ATOM 0 HA PHE A 202 0.079 -11.384 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.127 -10.232 0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 202 0.825 -11.741 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 202 1.901 -10.583 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.188 -9.265 1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.027 -9.419 -3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.313 -8.096 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.233 -8.176 -1.521 1.00 0.00 H new ATOM 952 N PRO A 203 -2.416 -11.740 -2.086 1.00 0.00 N ATOM 953 CA PRO A 203 -3.799 -12.191 -1.854 1.00 0.00 C ATOM 954 C PRO A 203 -3.825 -13.445 -0.975 1.00 0.00 C ATOM 955 O PRO A 203 -2.840 -14.142 -0.838 1.00 0.00 O ATOM 956 CB PRO A 203 -4.318 -12.496 -3.263 1.00 0.00 C ATOM 957 CG PRO A 203 -3.069 -12.747 -4.142 1.00 0.00 C ATOM 958 CD PRO A 203 -1.885 -12.076 -3.423 1.00 0.00 C ATOM 0 HA PRO A 203 -4.405 -11.451 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.970 -13.369 -3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.905 -11.663 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.891 -13.815 -4.267 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.206 -12.327 -5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -1.029 -12.747 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.550 -11.185 -3.954 1.00 0.00 H new