USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 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 8 TYR OH : rot -15:sc= 0.238 USER MOD Single : A 12 THR OG1 : rot -11:sc= -1.28! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 105:sc= 0.742 USER MOD Single : A 34 ASN : amide:sc= -3.43! C(o=-3.4!,f=-7.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -1.39! USER MOD Single : A 42 ASN : amide:sc= -4.25! C(o=-4.3!,f=-8.1!) USER MOD Single : A 43 HIS : no HD1:sc= -19.2! C(o=-19!,f=-18!) USER MOD Single : A 44 SER OG : rot 43:sc= 0.145 USER MOD Single : A 48 ASN : amide:sc= -1.55! C(o=-1.6!,f=-7.3!) USER MOD Single : A 54 SER OG : rot -50:sc= 0.903 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.835 K(o=-0.83,f=-1.8) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0818 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 5 8.087 4.354 -1.733 1.00 0.00 N ATOM 70 CA PRO A 5 6.850 4.979 -1.211 1.00 0.00 C ATOM 71 C PRO A 5 6.841 4.949 0.320 1.00 0.00 C ATOM 72 O PRO A 5 7.624 4.261 0.944 1.00 0.00 O ATOM 73 CB PRO A 5 5.740 4.103 -1.775 1.00 0.00 C ATOM 74 CG PRO A 5 6.378 2.771 -2.023 1.00 0.00 C ATOM 75 CD PRO A 5 7.844 3.014 -2.278 1.00 0.00 C ATOM 0 HA PRO A 5 6.747 6.026 -1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.911 4.018 -1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.336 4.524 -2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.242 2.114 -1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.916 2.277 -2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.463 2.265 -1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.076 2.969 -3.342 1.00 0.00 H new ATOM 83 N ALA A 6 5.959 5.692 0.924 1.00 0.00 N ATOM 84 CA ALA A 6 5.888 5.717 2.410 1.00 0.00 C ATOM 85 C ALA A 6 4.950 4.620 2.918 1.00 0.00 C ATOM 86 O ALA A 6 5.096 4.127 4.017 1.00 0.00 O ATOM 87 CB ALA A 6 5.340 7.100 2.759 1.00 0.00 C ATOM 0 H ALA A 6 5.280 6.287 0.449 1.00 0.00 H new ATOM 0 HA ALA A 6 6.859 5.537 2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.258 7.196 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.015 7.866 2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.356 7.226 2.308 1.00 0.00 H new ATOM 93 N ILE A 7 3.985 4.239 2.128 1.00 0.00 N ATOM 94 CA ILE A 7 3.040 3.171 2.568 1.00 0.00 C ATOM 95 C ILE A 7 3.809 1.917 2.988 1.00 0.00 C ATOM 96 O ILE A 7 3.578 1.356 4.040 1.00 0.00 O ATOM 97 CB ILE A 7 2.161 2.875 1.348 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.331 1.610 1.625 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.038 2.664 0.107 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.901 0.964 0.308 1.00 0.00 C ATOM 0 H ILE A 7 3.809 4.619 1.198 1.00 0.00 H new ATOM 0 HA ILE A 7 2.448 3.484 3.428 1.00 0.00 H new ATOM 0 HB ILE A 7 1.495 3.718 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.917 0.903 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.452 1.865 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.404 2.454 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.622 3.564 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.711 1.823 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.314 0.069 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.297 1.669 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.785 0.692 -0.269 1.00 0.00 H new ATOM 112 N TYR A 8 4.713 1.468 2.166 1.00 0.00 N ATOM 113 CA TYR A 8 5.492 0.245 2.503 1.00 0.00 C ATOM 114 C TYR A 8 5.993 0.327 3.942 1.00 0.00 C ATOM 115 O TYR A 8 6.157 -0.674 4.611 1.00 0.00 O ATOM 116 CB TYR A 8 6.655 0.236 1.509 1.00 0.00 C ATOM 117 CG TYR A 8 6.160 -0.206 0.147 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.784 -0.330 -0.103 1.00 0.00 C ATOM 119 CD2 TYR A 8 7.079 -0.492 -0.870 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.334 -0.741 -1.361 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.627 -0.903 -2.130 1.00 0.00 C ATOM 122 CZ TYR A 8 5.255 -1.029 -2.375 1.00 0.00 C ATOM 123 OH TYR A 8 4.809 -1.435 -3.616 1.00 0.00 O ATOM 0 H TYR A 8 4.948 1.897 1.271 1.00 0.00 H new ATOM 0 HA TYR A 8 4.899 -0.667 2.433 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.096 1.231 1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.439 -0.437 1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.072 -0.107 0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.138 -0.395 -0.682 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.275 -0.836 -1.551 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.338 -1.123 -2.913 1.00 0.00 H new ATOM 0 HH TYR A 8 3.867 -1.700 -3.555 1.00 0.00 H new ATOM 133 N ILE A 9 6.226 1.511 4.431 1.00 0.00 N ATOM 134 CA ILE A 9 6.701 1.646 5.835 1.00 0.00 C ATOM 135 C ILE A 9 5.597 1.206 6.792 1.00 0.00 C ATOM 136 O ILE A 9 4.550 1.818 6.876 1.00 0.00 O ATOM 137 CB ILE A 9 7.022 3.128 6.018 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.044 3.562 4.964 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.605 3.356 7.415 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.394 5.037 5.168 1.00 0.00 C ATOM 0 H ILE A 9 6.109 2.388 3.923 1.00 0.00 H new ATOM 0 HA ILE A 9 7.574 1.026 6.041 1.00 0.00 H new ATOM 0 HB ILE A 9 6.110 3.713 5.904 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.943 2.950 5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.638 3.409 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.834 4.414 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.879 3.046 8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.517 2.770 7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.122 5.345 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.493 5.642 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.818 5.176 6.163 1.00 0.00 H new ATOM 152 N GLY A 10 5.816 0.135 7.499 1.00 0.00 N ATOM 153 CA GLY A 10 4.773 -0.362 8.433 1.00 0.00 C ATOM 154 C GLY A 10 3.653 -0.981 7.605 1.00 0.00 C ATOM 155 O GLY A 10 2.505 -1.004 8.002 1.00 0.00 O ATOM 0 H GLY A 10 6.673 -0.418 7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.194 -1.100 9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.388 0.455 9.044 1.00 0.00 H new ATOM 159 N ALA A 11 3.984 -1.477 6.442 1.00 0.00 N ATOM 160 CA ALA A 11 2.936 -2.091 5.569 1.00 0.00 C ATOM 161 C ALA A 11 3.131 -3.605 5.477 1.00 0.00 C ATOM 162 O ALA A 11 3.847 -4.195 6.263 1.00 0.00 O ATOM 163 CB ALA A 11 3.132 -1.441 4.199 1.00 0.00 C ATOM 0 H ALA A 11 4.929 -1.485 6.059 1.00 0.00 H new ATOM 0 HA ALA A 11 1.932 -1.929 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.398 -1.840 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.002 -0.362 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.136 -1.657 3.834 1.00 0.00 H new ATOM 169 N THR A 12 2.498 -4.244 4.526 1.00 0.00 N ATOM 170 CA THR A 12 2.656 -5.723 4.395 1.00 0.00 C ATOM 171 C THR A 12 2.381 -6.153 2.956 1.00 0.00 C ATOM 172 O THR A 12 1.250 -6.284 2.555 1.00 0.00 O ATOM 173 CB THR A 12 1.605 -6.326 5.328 1.00 0.00 C ATOM 174 OG1 THR A 12 1.918 -5.995 6.674 1.00 0.00 O ATOM 175 CG2 THR A 12 1.586 -7.846 5.162 1.00 0.00 C ATOM 0 H THR A 12 1.883 -3.808 3.839 1.00 0.00 H new ATOM 0 HA THR A 12 3.665 -6.049 4.649 1.00 0.00 H new ATOM 0 HB THR A 12 0.623 -5.924 5.077 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.817 -5.606 6.715 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.837 -8.275 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.341 -8.096 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.567 -8.251 5.411 1.00 0.00 H new ATOM 183 N VAL A 13 3.401 -6.378 2.178 1.00 0.00 N ATOM 184 CA VAL A 13 3.172 -6.799 0.764 1.00 0.00 C ATOM 185 C VAL A 13 3.285 -8.322 0.645 1.00 0.00 C ATOM 186 O VAL A 13 3.809 -8.983 1.519 1.00 0.00 O ATOM 187 CB VAL A 13 4.278 -6.112 -0.042 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.408 -4.652 0.396 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.608 -6.831 0.199 1.00 0.00 C ATOM 0 H VAL A 13 4.379 -6.290 2.455 1.00 0.00 H new ATOM 0 HA VAL A 13 2.180 -6.524 0.406 1.00 0.00 H new ATOM 0 HB VAL A 13 4.025 -6.151 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.196 -4.168 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.464 -4.135 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.657 -4.611 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.395 -6.342 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.855 -6.793 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.522 -7.871 -0.116 1.00 0.00 H new ATOM 199 N GLY A 14 2.803 -8.883 -0.432 1.00 0.00 N ATOM 200 CA GLY A 14 2.889 -10.361 -0.604 1.00 0.00 C ATOM 201 C GLY A 14 4.329 -10.754 -0.941 1.00 0.00 C ATOM 202 O GLY A 14 5.243 -9.973 -0.762 1.00 0.00 O ATOM 0 H GLY A 14 2.354 -8.382 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.568 -10.863 0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.217 -10.685 -1.399 1.00 0.00 H new ATOM 206 N PRO A 15 4.482 -11.959 -1.417 1.00 0.00 N ATOM 207 CA PRO A 15 5.826 -12.470 -1.785 1.00 0.00 C ATOM 208 C PRO A 15 6.307 -11.819 -3.084 1.00 0.00 C ATOM 209 O PRO A 15 7.426 -11.356 -3.180 1.00 0.00 O ATOM 210 CB PRO A 15 5.600 -13.966 -1.977 1.00 0.00 C ATOM 211 CG PRO A 15 4.148 -14.100 -2.316 1.00 0.00 C ATOM 212 CD PRO A 15 3.429 -12.952 -1.657 1.00 0.00 C ATOM 0 HA PRO A 15 6.588 -12.252 -1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.229 -14.361 -2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.847 -14.521 -1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.001 -14.077 -3.396 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.757 -15.054 -1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.644 -12.553 -2.299 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.953 -13.261 -0.726 1.00 0.00 H new ATOM 220 N SER A 16 5.471 -11.780 -4.085 1.00 0.00 N ATOM 221 CA SER A 16 5.882 -11.160 -5.377 1.00 0.00 C ATOM 222 C SER A 16 6.299 -9.704 -5.154 1.00 0.00 C ATOM 223 O SER A 16 7.384 -9.294 -5.522 1.00 0.00 O ATOM 224 CB SER A 16 4.641 -11.232 -6.264 1.00 0.00 C ATOM 225 OG SER A 16 5.017 -11.663 -7.565 1.00 0.00 O ATOM 0 H SER A 16 4.521 -12.151 -4.064 1.00 0.00 H new ATOM 0 HA SER A 16 6.734 -11.670 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.914 -11.922 -5.836 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.161 -10.255 -6.317 1.00 0.00 H new ATOM 0 HG SER A 16 4.222 -11.712 -8.136 1.00 0.00 H new ATOM 231 N VAL A 17 5.450 -8.918 -4.551 1.00 0.00 N ATOM 232 CA VAL A 17 5.804 -7.492 -4.306 1.00 0.00 C ATOM 233 C VAL A 17 7.049 -7.410 -3.424 1.00 0.00 C ATOM 234 O VAL A 17 8.003 -6.732 -3.743 1.00 0.00 O ATOM 235 CB VAL A 17 4.593 -6.896 -3.588 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.905 -5.459 -3.168 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.389 -6.899 -4.533 1.00 0.00 C ATOM 0 H VAL A 17 4.528 -9.201 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 17 6.029 -6.955 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 17 4.365 -7.492 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.042 -5.034 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.764 -5.454 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.133 -4.863 -4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.525 -6.474 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.618 -6.302 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.166 -7.922 -4.834 1.00 0.00 H new ATOM 247 N TRP A 18 7.055 -8.105 -2.321 1.00 0.00 N ATOM 248 CA TRP A 18 8.249 -8.066 -1.430 1.00 0.00 C ATOM 249 C TRP A 18 9.520 -8.208 -2.268 1.00 0.00 C ATOM 250 O TRP A 18 10.315 -7.297 -2.376 1.00 0.00 O ATOM 251 CB TRP A 18 8.094 -9.269 -0.502 1.00 0.00 C ATOM 252 CG TRP A 18 9.364 -9.478 0.258 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.407 -10.228 -0.165 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.743 -8.947 1.561 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.403 -10.190 0.794 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.042 -9.413 1.877 1.00 0.00 C ATOM 257 CE3 TRP A 18 9.094 -8.113 2.490 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.672 -9.066 3.072 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.727 -7.762 3.693 1.00 0.00 C ATOM 260 CH2 TRP A 18 11.013 -8.237 3.983 1.00 0.00 C ATOM 0 H TRP A 18 6.289 -8.696 -1.998 1.00 0.00 H new ATOM 0 HA TRP A 18 8.323 -7.131 -0.875 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.267 -9.105 0.189 1.00 0.00 H new ATOM 0 HB3 TRP A 18 7.853 -10.160 -1.081 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.454 -10.768 -1.099 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.296 -10.677 0.711 1.00 0.00 H new ATOM 0 HE3 TRP A 18 8.103 -7.741 2.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.663 -9.436 3.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 9.220 -7.122 4.399 1.00 0.00 H new ATOM 0 HH2 TRP A 18 11.494 -7.962 4.910 1.00 0.00 H new ATOM 271 N ALA A 19 9.710 -9.352 -2.862 1.00 0.00 N ATOM 272 CA ALA A 19 10.923 -9.573 -3.699 1.00 0.00 C ATOM 273 C ALA A 19 11.219 -8.335 -4.549 1.00 0.00 C ATOM 274 O ALA A 19 12.352 -7.922 -4.691 1.00 0.00 O ATOM 275 CB ALA A 19 10.578 -10.766 -4.591 1.00 0.00 C ATOM 0 H ALA A 19 9.075 -10.148 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 19 11.810 -9.759 -3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.424 -10.992 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.356 -11.633 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.708 -10.524 -5.201 1.00 0.00 H new ATOM 281 N TYR A 20 10.207 -7.742 -5.118 1.00 0.00 N ATOM 282 CA TYR A 20 10.432 -6.531 -5.960 1.00 0.00 C ATOM 283 C TYR A 20 11.061 -5.411 -5.126 1.00 0.00 C ATOM 284 O TYR A 20 12.187 -5.014 -5.349 1.00 0.00 O ATOM 285 CB TYR A 20 9.041 -6.119 -6.443 1.00 0.00 C ATOM 286 CG TYR A 20 9.162 -4.933 -7.371 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.993 -5.005 -8.496 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.441 -3.762 -7.107 1.00 0.00 C ATOM 289 CE1 TYR A 20 10.104 -3.906 -9.355 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.552 -2.663 -7.966 1.00 0.00 C ATOM 291 CZ TYR A 20 9.384 -2.734 -9.090 1.00 0.00 C ATOM 292 OH TYR A 20 9.493 -1.651 -9.937 1.00 0.00 O ATOM 0 H TYR A 20 9.235 -8.042 -5.038 1.00 0.00 H new ATOM 0 HA TYR A 20 11.111 -6.729 -6.789 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.562 -6.951 -6.959 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.409 -5.866 -5.592 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.548 -5.909 -8.701 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.799 -3.707 -6.240 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.745 -3.961 -10.222 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.996 -1.760 -7.762 1.00 0.00 H new ATOM 0 HH TYR A 20 8.927 -0.921 -9.609 1.00 0.00 H new ATOM 302 N LEU A 21 10.338 -4.903 -4.167 1.00 0.00 N ATOM 303 CA LEU A 21 10.884 -3.810 -3.313 1.00 0.00 C ATOM 304 C LEU A 21 12.345 -4.094 -2.954 1.00 0.00 C ATOM 305 O LEU A 21 13.189 -3.221 -3.011 1.00 0.00 O ATOM 306 CB LEU A 21 10.007 -3.827 -2.061 1.00 0.00 C ATOM 307 CG LEU A 21 10.088 -2.473 -1.353 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.430 -2.578 0.025 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.553 -2.068 -1.185 1.00 0.00 C ATOM 0 H LEU A 21 9.389 -5.198 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 21 10.869 -2.842 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.974 -4.045 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.333 -4.620 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 21 9.570 -1.722 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.487 -1.614 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.385 -2.865 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.949 -3.330 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.608 -1.103 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.072 -2.819 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.024 -1.992 -2.165 1.00 0.00 H new ATOM 321 N VAL A 22 12.653 -5.307 -2.584 1.00 0.00 N ATOM 322 CA VAL A 22 14.060 -5.640 -2.221 1.00 0.00 C ATOM 323 C VAL A 22 15.004 -5.259 -3.362 1.00 0.00 C ATOM 324 O VAL A 22 16.006 -4.604 -3.160 1.00 0.00 O ATOM 325 CB VAL A 22 14.068 -7.152 -1.999 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.491 -7.614 -1.677 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.143 -7.500 -0.831 1.00 0.00 C ATOM 0 H VAL A 22 11.992 -6.081 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 22 14.396 -5.099 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 22 13.719 -7.653 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.496 -8.692 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.151 -7.366 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.841 -7.113 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.148 -8.578 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.492 -6.998 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.129 -7.172 -1.060 1.00 0.00 H new ATOM 337 N ALA A 23 14.688 -5.664 -4.557 1.00 0.00 N ATOM 338 CA ALA A 23 15.564 -5.326 -5.714 1.00 0.00 C ATOM 339 C ALA A 23 15.764 -3.811 -5.796 1.00 0.00 C ATOM 340 O ALA A 23 16.840 -3.332 -6.099 1.00 0.00 O ATOM 341 CB ALA A 23 14.811 -5.834 -6.944 1.00 0.00 C ATOM 0 H ALA A 23 13.861 -6.215 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 23 16.554 -5.775 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.393 -5.622 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.657 -6.910 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.845 -5.333 -7.012 1.00 0.00 H new ATOM 347 N LEU A 24 14.737 -3.053 -5.527 1.00 0.00 N ATOM 348 CA LEU A 24 14.864 -1.572 -5.586 1.00 0.00 C ATOM 349 C LEU A 24 15.917 -1.091 -4.583 1.00 0.00 C ATOM 350 O LEU A 24 16.766 -0.282 -4.899 1.00 0.00 O ATOM 351 CB LEU A 24 13.479 -1.048 -5.206 1.00 0.00 C ATOM 352 CG LEU A 24 13.225 0.286 -5.908 1.00 0.00 C ATOM 353 CD1 LEU A 24 12.975 0.040 -7.397 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.998 0.959 -5.289 1.00 0.00 C ATOM 0 H LEU A 24 13.813 -3.398 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 24 15.180 -1.219 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.715 -1.771 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.411 -0.921 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 24 14.095 0.932 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.794 0.991 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.848 -0.442 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.105 -0.605 -7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.815 1.911 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.129 0.313 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.175 1.134 -4.228 1.00 0.00 H new ATOM 366 N VAL A 25 15.868 -1.586 -3.376 1.00 0.00 N ATOM 367 CA VAL A 25 16.868 -1.161 -2.351 1.00 0.00 C ATOM 368 C VAL A 25 17.664 -2.376 -1.853 1.00 0.00 C ATOM 369 O VAL A 25 18.713 -2.695 -2.377 1.00 0.00 O ATOM 370 CB VAL A 25 16.048 -0.518 -1.215 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.709 -1.243 -1.042 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.834 -0.584 0.097 1.00 0.00 C ATOM 0 H VAL A 25 15.179 -2.266 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 25 17.598 -0.457 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 25 15.857 0.523 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.144 -0.776 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.139 -1.180 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.891 -2.290 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.249 -0.128 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 25 17.039 -1.625 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.775 -0.046 -0.015 1.00 0.00 H new ATOM 382 N GLY A 26 17.180 -3.055 -0.848 1.00 0.00 N ATOM 383 CA GLY A 26 17.914 -4.240 -0.326 1.00 0.00 C ATOM 384 C GLY A 26 17.170 -4.802 0.886 1.00 0.00 C ATOM 385 O GLY A 26 16.244 -4.199 1.390 1.00 0.00 O ATOM 0 H GLY A 26 16.307 -2.839 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.997 -5.001 -1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.929 -3.959 -0.046 1.00 0.00 H new ATOM 389 N ALA A 27 17.562 -5.955 1.352 1.00 0.00 N ATOM 390 CA ALA A 27 16.871 -6.556 2.526 1.00 0.00 C ATOM 391 C ALA A 27 17.072 -5.692 3.773 1.00 0.00 C ATOM 392 O ALA A 27 16.299 -5.751 4.708 1.00 0.00 O ATOM 393 CB ALA A 27 17.524 -7.926 2.710 1.00 0.00 C ATOM 0 H ALA A 27 18.331 -6.507 0.971 1.00 0.00 H new ATOM 0 HA ALA A 27 15.795 -6.632 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.068 -8.435 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.379 -8.522 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.591 -7.799 2.893 1.00 0.00 H new ATOM 399 N ALA A 28 18.100 -4.890 3.799 1.00 0.00 N ATOM 400 CA ALA A 28 18.338 -4.032 4.990 1.00 0.00 C ATOM 401 C ALA A 28 17.277 -2.935 5.060 1.00 0.00 C ATOM 402 O ALA A 28 16.505 -2.864 5.995 1.00 0.00 O ATOM 403 CB ALA A 28 19.727 -3.429 4.779 1.00 0.00 C ATOM 0 H ALA A 28 18.783 -4.793 3.048 1.00 0.00 H new ATOM 0 HA ALA A 28 18.282 -4.592 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.974 -2.781 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.464 -4.229 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.735 -2.846 3.858 1.00 0.00 H new ATOM 409 N ALA A 29 17.226 -2.085 4.074 1.00 0.00 N ATOM 410 CA ALA A 29 16.203 -1.003 4.087 1.00 0.00 C ATOM 411 C ALA A 29 14.808 -1.626 4.040 1.00 0.00 C ATOM 412 O ALA A 29 13.843 -1.053 4.506 1.00 0.00 O ATOM 413 CB ALA A 29 16.468 -0.180 2.827 1.00 0.00 C ATOM 0 H ALA A 29 17.845 -2.092 3.263 1.00 0.00 H new ATOM 0 HA ALA A 29 16.257 -0.385 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.750 0.638 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.479 0.226 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.364 -0.816 1.948 1.00 0.00 H new ATOM 419 N VAL A 30 14.699 -2.802 3.483 1.00 0.00 N ATOM 420 CA VAL A 30 13.370 -3.468 3.411 1.00 0.00 C ATOM 421 C VAL A 30 12.949 -3.934 4.806 1.00 0.00 C ATOM 422 O VAL A 30 11.784 -3.919 5.151 1.00 0.00 O ATOM 423 CB VAL A 30 13.574 -4.664 2.482 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.392 -5.625 2.619 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.667 -4.175 1.035 1.00 0.00 C ATOM 0 H VAL A 30 15.472 -3.328 3.076 1.00 0.00 H new ATOM 0 HA VAL A 30 12.588 -2.802 3.045 1.00 0.00 H new ATOM 0 HB VAL A 30 14.495 -5.180 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.538 -6.478 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.324 -5.974 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.471 -5.109 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.813 -5.027 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.746 -3.659 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.509 -3.490 0.936 1.00 0.00 H new ATOM 435 N THR A 31 13.890 -4.342 5.614 1.00 0.00 N ATOM 436 CA THR A 31 13.543 -4.801 6.989 1.00 0.00 C ATOM 437 C THR A 31 13.470 -3.601 7.936 1.00 0.00 C ATOM 438 O THR A 31 12.860 -3.660 8.985 1.00 0.00 O ATOM 439 CB THR A 31 14.680 -5.741 7.394 1.00 0.00 C ATOM 440 OG1 THR A 31 14.917 -6.672 6.348 1.00 0.00 O ATOM 441 CG2 THR A 31 14.295 -6.492 8.670 1.00 0.00 C ATOM 0 H THR A 31 14.883 -4.377 5.382 1.00 0.00 H new ATOM 0 HA THR A 31 12.574 -5.299 7.030 1.00 0.00 H new ATOM 0 HB THR A 31 15.584 -5.160 7.577 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.737 -6.427 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.106 -7.161 8.957 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.113 -5.777 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.391 -7.074 8.491 1.00 0.00 H new ATOM 449 N ALA A 32 14.086 -2.510 7.569 1.00 0.00 N ATOM 450 CA ALA A 32 14.049 -1.302 8.443 1.00 0.00 C ATOM 451 C ALA A 32 12.772 -0.503 8.170 1.00 0.00 C ATOM 452 O ALA A 32 12.337 0.287 8.984 1.00 0.00 O ATOM 453 CB ALA A 32 15.285 -0.491 8.053 1.00 0.00 C ATOM 0 H ALA A 32 14.613 -2.403 6.702 1.00 0.00 H new ATOM 0 HA ALA A 32 14.050 -1.554 9.503 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.329 0.417 8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.181 -1.086 8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.227 -0.225 6.998 1.00 0.00 H new ATOM 459 N ALA A 33 12.169 -0.707 7.032 1.00 0.00 N ATOM 460 CA ALA A 33 10.918 0.034 6.706 1.00 0.00 C ATOM 461 C ALA A 33 9.703 -0.757 7.197 1.00 0.00 C ATOM 462 O ALA A 33 8.612 -0.620 6.685 1.00 0.00 O ATOM 463 CB ALA A 33 10.907 0.146 5.181 1.00 0.00 C ATOM 0 H ALA A 33 12.489 -1.356 6.313 1.00 0.00 H new ATOM 0 HA ALA A 33 10.878 1.013 7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.013 0.682 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.792 0.688 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.908 -0.852 4.743 1.00 0.00 H new ATOM 469 N ASN A 34 9.890 -1.586 8.186 1.00 0.00 N ATOM 470 CA ASN A 34 8.751 -2.390 8.717 1.00 0.00 C ATOM 471 C ASN A 34 7.886 -2.919 7.566 1.00 0.00 C ATOM 472 O ASN A 34 6.793 -2.438 7.314 1.00 0.00 O ATOM 473 CB ASN A 34 7.960 -1.423 9.598 1.00 0.00 C ATOM 474 CG ASN A 34 6.858 -2.188 10.334 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.332 -3.158 9.827 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.484 -1.788 11.519 1.00 0.00 N ATOM 0 H ASN A 34 10.784 -1.743 8.651 1.00 0.00 H new ATOM 0 HA ASN A 34 9.087 -3.263 9.277 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.624 -0.941 10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.523 -0.633 8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.750 -2.290 12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.926 -0.973 11.945 1.00 0.00 H new ATOM 483 N ILE A 35 8.367 -3.914 6.870 1.00 0.00 N ATOM 484 CA ILE A 35 7.583 -4.491 5.742 1.00 0.00 C ATOM 485 C ILE A 35 7.272 -5.961 6.030 1.00 0.00 C ATOM 486 O ILE A 35 8.162 -6.769 6.207 1.00 0.00 O ATOM 487 CB ILE A 35 8.489 -4.362 4.518 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.789 -2.883 4.263 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.783 -4.957 3.299 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.441 -2.724 2.888 1.00 0.00 C ATOM 0 H ILE A 35 9.273 -4.353 7.036 1.00 0.00 H new ATOM 0 HA ILE A 35 6.631 -3.982 5.592 1.00 0.00 H new ATOM 0 HB ILE A 35 9.422 -4.897 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.869 -2.301 4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.451 -2.496 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.428 -4.866 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.566 -6.009 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.851 -4.420 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.655 -1.671 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.370 -3.293 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.763 -3.095 2.119 1.00 0.00 H new ATOM 502 N ARG A 36 6.018 -6.312 6.087 1.00 0.00 N ATOM 503 CA ARG A 36 5.656 -7.727 6.374 1.00 0.00 C ATOM 504 C ARG A 36 5.323 -8.468 5.077 1.00 0.00 C ATOM 505 O ARG A 36 4.805 -7.897 4.136 1.00 0.00 O ATOM 506 CB ARG A 36 4.423 -7.648 7.274 1.00 0.00 C ATOM 507 CG ARG A 36 4.703 -6.712 8.452 1.00 0.00 C ATOM 508 CD ARG A 36 5.051 -7.538 9.691 1.00 0.00 C ATOM 509 NE ARG A 36 4.785 -6.632 10.843 1.00 0.00 N ATOM 510 CZ ARG A 36 3.991 -7.015 11.806 1.00 0.00 C ATOM 511 NH1 ARG A 36 2.808 -7.491 11.526 1.00 0.00 N ATOM 512 NH2 ARG A 36 4.379 -6.921 13.048 1.00 0.00 N ATOM 0 H ARG A 36 5.229 -5.681 5.947 1.00 0.00 H new ATOM 0 HA ARG A 36 6.474 -8.270 6.847 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.568 -7.285 6.704 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.164 -8.641 7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.525 -6.040 8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.830 -6.090 8.651 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.441 -8.440 9.749 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.093 -7.858 9.673 1.00 0.00 H new ATOM 0 HE ARG A 36 5.223 -5.712 10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.504 -7.564 10.555 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.188 -7.790 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.303 -6.548 13.267 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.758 -7.220 13.800 1.00 0.00 H new ATOM 526 N ARG A 37 5.611 -9.741 5.026 1.00 0.00 N ATOM 527 CA ARG A 37 5.306 -10.529 3.801 1.00 0.00 C ATOM 528 C ARG A 37 4.030 -11.344 4.018 1.00 0.00 C ATOM 529 O ARG A 37 3.831 -11.936 5.061 1.00 0.00 O ATOM 530 CB ARG A 37 6.509 -11.453 3.609 1.00 0.00 C ATOM 531 CG ARG A 37 7.618 -10.703 2.868 1.00 0.00 C ATOM 532 CD ARG A 37 8.731 -11.683 2.488 1.00 0.00 C ATOM 533 NE ARG A 37 8.436 -12.075 1.083 1.00 0.00 N ATOM 534 CZ ARG A 37 8.675 -13.295 0.684 1.00 0.00 C ATOM 535 NH1 ARG A 37 7.824 -14.247 0.950 1.00 0.00 N ATOM 536 NH2 ARG A 37 9.765 -13.561 0.018 1.00 0.00 N ATOM 0 H ARG A 37 6.046 -10.269 5.783 1.00 0.00 H new ATOM 0 HA ARG A 37 5.142 -9.897 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.873 -11.798 4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.215 -12.338 3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.216 -10.228 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.018 -9.908 3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.713 -11.216 2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.735 -12.551 3.147 1.00 0.00 H new ATOM 0 HE ARG A 37 8.048 -11.392 0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.972 -14.038 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.011 -15.200 0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.430 -12.816 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.952 -14.514 -0.294 1.00 0.00 H new ATOM 550 N ALA A 38 3.160 -11.375 3.048 1.00 0.00 N ATOM 551 CA ALA A 38 1.897 -12.146 3.208 1.00 0.00 C ATOM 552 C ALA A 38 1.909 -13.376 2.298 1.00 0.00 C ATOM 553 O ALA A 38 2.655 -13.444 1.341 1.00 0.00 O ATOM 554 CB ALA A 38 0.793 -11.174 2.793 1.00 0.00 C ATOM 0 H ALA A 38 3.269 -10.900 2.152 1.00 0.00 H new ATOM 0 HA ALA A 38 1.757 -12.512 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.176 -11.665 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.817 -10.298 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.950 -10.865 1.760 1.00 0.00 H new ATOM 560 N SER A 39 1.094 -14.350 2.590 1.00 0.00 N ATOM 561 CA SER A 39 1.062 -15.578 1.743 1.00 0.00 C ATOM 562 C SER A 39 0.967 -15.200 0.262 1.00 0.00 C ATOM 563 O SER A 39 1.377 -15.947 -0.604 1.00 0.00 O ATOM 564 CB SER A 39 -0.192 -16.331 2.185 1.00 0.00 C ATOM 565 OG SER A 39 0.131 -17.700 2.389 1.00 0.00 O ATOM 0 H SER A 39 0.447 -14.350 3.379 1.00 0.00 H new ATOM 0 HA SER A 39 1.962 -16.181 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.586 -15.897 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.972 -16.238 1.429 1.00 0.00 H new ATOM 0 HG SER A 39 -0.671 -18.186 2.674 1.00 0.00 H new ATOM 571 N SER A 40 0.429 -14.049 -0.035 1.00 0.00 N ATOM 572 CA SER A 40 0.309 -13.631 -1.461 1.00 0.00 C ATOM 573 C SER A 40 0.127 -12.114 -1.556 1.00 0.00 C ATOM 574 O SER A 40 0.154 -11.410 -0.567 1.00 0.00 O ATOM 575 CB SER A 40 -0.932 -14.352 -1.982 1.00 0.00 C ATOM 576 OG SER A 40 -1.122 -15.552 -1.242 1.00 0.00 O ATOM 0 H SER A 40 0.068 -13.381 0.646 1.00 0.00 H new ATOM 0 HA SER A 40 1.199 -13.880 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.807 -13.709 -1.886 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.817 -14.579 -3.042 1.00 0.00 H new ATOM 0 HG SER A 40 -1.919 -16.017 -1.572 1.00 0.00 H new ATOM 582 N ASP A 41 -0.061 -11.605 -2.744 1.00 0.00 N ATOM 583 CA ASP A 41 -0.246 -10.134 -2.908 1.00 0.00 C ATOM 584 C ASP A 41 -1.503 -9.673 -2.166 1.00 0.00 C ATOM 585 O ASP A 41 -1.689 -8.499 -1.911 1.00 0.00 O ATOM 586 CB ASP A 41 -0.407 -9.925 -4.414 1.00 0.00 C ATOM 587 CG ASP A 41 0.931 -10.175 -5.112 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.910 -9.571 -4.706 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.954 -10.967 -6.039 1.00 0.00 O ATOM 0 H ASP A 41 -0.094 -12.145 -3.609 1.00 0.00 H new ATOM 0 HA ASP A 41 0.589 -9.563 -2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.166 -10.602 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.750 -8.910 -4.616 1.00 0.00 H new ATOM 594 N ASN A 42 -2.367 -10.586 -1.819 1.00 0.00 N ATOM 595 CA ASN A 42 -3.613 -10.197 -1.096 1.00 0.00 C ATOM 596 C ASN A 42 -3.382 -10.232 0.417 1.00 0.00 C ATOM 597 O ASN A 42 -3.275 -11.285 1.014 1.00 0.00 O ATOM 598 CB ASN A 42 -4.650 -11.244 -1.503 1.00 0.00 C ATOM 599 CG ASN A 42 -5.948 -11.004 -0.732 1.00 0.00 C ATOM 600 OD1 ASN A 42 -5.923 -10.670 0.437 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.092 -11.159 -1.340 1.00 0.00 N ATOM 0 H ASN A 42 -2.266 -11.584 -2.004 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.934 -9.185 -1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.836 -11.189 -2.576 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.272 -12.245 -1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.964 -11.000 -0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.115 -11.439 -2.321 1.00 0.00 H new ATOM 608 N HIS A 43 -3.306 -9.089 1.045 1.00 0.00 N ATOM 609 CA HIS A 43 -3.083 -9.061 2.517 1.00 0.00 C ATOM 610 C HIS A 43 -3.861 -7.911 3.156 1.00 0.00 C ATOM 611 O HIS A 43 -4.481 -7.112 2.481 1.00 0.00 O ATOM 612 CB HIS A 43 -1.577 -8.849 2.707 1.00 0.00 C ATOM 613 CG HIS A 43 -1.039 -7.908 1.657 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.034 -6.530 1.822 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.459 -8.139 0.436 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.461 -5.990 0.726 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.096 -6.929 -0.150 1.00 0.00 N ATOM 0 H HIS A 43 -3.389 -8.174 0.601 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.425 -9.982 2.989 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.383 -8.444 3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.059 -9.806 2.646 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.307 -9.113 -0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.316 -4.930 0.576 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.353 -6.790 -1.055 1.00 0.00 H new ATOM 625 N SER A 44 -3.829 -7.821 4.456 1.00 0.00 N ATOM 626 CA SER A 44 -4.557 -6.722 5.146 1.00 0.00 C ATOM 627 C SER A 44 -3.748 -5.427 5.051 1.00 0.00 C ATOM 628 O SER A 44 -2.569 -5.401 5.341 1.00 0.00 O ATOM 629 CB SER A 44 -4.674 -7.170 6.602 1.00 0.00 C ATOM 630 OG SER A 44 -3.494 -7.868 6.976 1.00 0.00 O ATOM 0 H SER A 44 -3.329 -8.463 5.071 1.00 0.00 H new ATOM 0 HA SER A 44 -5.534 -6.530 4.703 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.819 -6.305 7.250 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.545 -7.813 6.728 1.00 0.00 H new ATOM 0 HG SER A 44 -2.710 -7.397 6.625 1.00 0.00 H new ATOM 636 N CYS A 45 -4.367 -4.356 4.648 1.00 0.00 N ATOM 637 CA CYS A 45 -3.619 -3.073 4.539 1.00 0.00 C ATOM 638 C CYS A 45 -4.279 -1.996 5.400 1.00 0.00 C ATOM 639 O CYS A 45 -5.280 -2.228 6.057 1.00 0.00 O ATOM 640 CB CYS A 45 -3.675 -2.693 3.061 1.00 0.00 C ATOM 641 SG CYS A 45 -5.372 -2.852 2.454 1.00 0.00 S ATOM 0 H CYS A 45 -5.353 -4.311 4.390 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.592 -3.170 4.890 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.324 -1.670 2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.011 -3.337 2.485 1.00 0.00 H new ATOM 646 N ALA A 46 -3.717 -0.822 5.408 1.00 0.00 N ATOM 647 CA ALA A 46 -4.300 0.270 6.238 1.00 0.00 C ATOM 648 C ALA A 46 -4.584 -0.264 7.642 1.00 0.00 C ATOM 649 O ALA A 46 -5.612 0.012 8.228 1.00 0.00 O ATOM 650 CB ALA A 46 -5.599 0.660 5.533 1.00 0.00 C ATOM 0 H ALA A 46 -2.882 -0.570 4.879 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.633 1.126 6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.087 1.462 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.376 1.001 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.261 -0.204 5.486 1.00 0.00 H new ATOM 656 N GLY A 47 -3.681 -1.041 8.180 1.00 0.00 N ATOM 657 CA GLY A 47 -3.901 -1.609 9.538 1.00 0.00 C ATOM 658 C GLY A 47 -5.088 -2.569 9.484 1.00 0.00 C ATOM 659 O GLY A 47 -5.390 -3.135 8.453 1.00 0.00 O ATOM 0 H GLY A 47 -2.802 -1.305 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.007 -2.133 9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.094 -0.810 10.254 1.00 0.00 H new ATOM 663 N ASN A 48 -5.770 -2.753 10.579 1.00 0.00 N ATOM 664 CA ASN A 48 -6.940 -3.670 10.575 1.00 0.00 C ATOM 665 C ASN A 48 -8.187 -2.923 10.089 1.00 0.00 C ATOM 666 O ASN A 48 -9.263 -3.076 10.631 1.00 0.00 O ATOM 667 CB ASN A 48 -7.107 -4.109 12.029 1.00 0.00 C ATOM 668 CG ASN A 48 -5.803 -4.734 12.527 1.00 0.00 C ATOM 669 OD1 ASN A 48 -4.741 -4.438 12.019 1.00 0.00 O ATOM 670 ND2 ASN A 48 -5.840 -5.596 13.508 1.00 0.00 N ATOM 0 H ASN A 48 -5.568 -2.309 11.474 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.798 -4.522 9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.373 -3.253 12.650 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.922 -4.828 12.111 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.977 -6.020 13.847 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.732 -5.845 13.935 1.00 0.00 H new ATOM 677 N ARG A 49 -8.047 -2.105 9.079 1.00 0.00 N ATOM 678 CA ARG A 49 -9.216 -1.341 8.572 1.00 0.00 C ATOM 679 C ARG A 49 -9.513 -1.695 7.113 1.00 0.00 C ATOM 680 O ARG A 49 -10.655 -1.749 6.701 1.00 0.00 O ATOM 681 CB ARG A 49 -8.795 0.121 8.690 1.00 0.00 C ATOM 682 CG ARG A 49 -8.887 0.562 10.152 1.00 0.00 C ATOM 683 CD ARG A 49 -9.675 1.871 10.244 1.00 0.00 C ATOM 684 NE ARG A 49 -8.688 2.881 10.720 1.00 0.00 N ATOM 685 CZ ARG A 49 -8.873 3.488 11.861 1.00 0.00 C ATOM 686 NH1 ARG A 49 -9.464 2.866 12.844 1.00 0.00 N ATOM 687 NH2 ARG A 49 -8.466 4.717 12.018 1.00 0.00 N ATOM 0 H ARG A 49 -7.171 -1.935 8.585 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.125 -1.563 9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.776 0.248 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.437 0.746 8.069 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.375 -0.211 10.746 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.888 0.697 10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.091 2.151 9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.512 1.780 10.936 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.868 3.098 10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.782 1.905 12.721 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.608 3.341 13.735 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.004 5.203 11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.610 5.192 12.909 1.00 0.00 H new ATOM 701 N GLY A 50 -8.501 -1.927 6.321 1.00 0.00 N ATOM 702 CA GLY A 50 -8.753 -2.264 4.890 1.00 0.00 C ATOM 703 C GLY A 50 -8.124 -3.615 4.550 1.00 0.00 C ATOM 704 O GLY A 50 -7.320 -4.144 5.293 1.00 0.00 O ATOM 0 H GLY A 50 -7.520 -1.898 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.826 -2.295 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.337 -1.488 4.247 1.00 0.00 H new ATOM 708 N TRP A 51 -8.485 -4.175 3.428 1.00 0.00 N ATOM 709 CA TRP A 51 -7.915 -5.492 3.024 1.00 0.00 C ATOM 710 C TRP A 51 -7.531 -5.454 1.544 1.00 0.00 C ATOM 711 O TRP A 51 -7.830 -4.507 0.846 1.00 0.00 O ATOM 712 CB TRP A 51 -9.042 -6.499 3.255 1.00 0.00 C ATOM 713 CG TRP A 51 -8.826 -7.215 4.548 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.608 -7.088 5.646 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.780 -8.167 4.899 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.111 -7.903 6.646 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.983 -8.588 6.236 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.686 -8.701 4.195 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.133 -9.506 6.850 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.826 -9.625 4.811 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.050 -10.027 6.136 1.00 0.00 C ATOM 0 H TRP A 51 -9.154 -3.775 2.770 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.018 -5.750 3.587 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.003 -5.985 3.270 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.076 -7.215 2.434 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.478 -6.453 5.727 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.526 -7.988 7.574 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.506 -8.399 3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.310 -9.813 7.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.988 -10.028 4.262 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.386 -10.739 6.604 1.00 0.00 H new ATOM 732 N CYS A 52 -6.871 -6.467 1.054 1.00 0.00 N ATOM 733 CA CYS A 52 -6.478 -6.458 -0.382 1.00 0.00 C ATOM 734 C CYS A 52 -7.358 -7.408 -1.197 1.00 0.00 C ATOM 735 O CYS A 52 -7.286 -8.613 -1.059 1.00 0.00 O ATOM 736 CB CYS A 52 -5.032 -6.937 -0.398 1.00 0.00 C ATOM 737 SG CYS A 52 -4.239 -6.405 -1.932 1.00 0.00 S ATOM 0 H CYS A 52 -6.589 -7.294 1.581 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.594 -5.469 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.495 -6.534 0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.996 -8.023 -0.315 1.00 0.00 H new ATOM 742 N ARG A 53 -8.181 -6.870 -2.054 1.00 0.00 N ATOM 743 CA ARG A 53 -9.061 -7.733 -2.893 1.00 0.00 C ATOM 744 C ARG A 53 -8.921 -7.329 -4.362 1.00 0.00 C ATOM 745 O ARG A 53 -8.762 -6.166 -4.675 1.00 0.00 O ATOM 746 CB ARG A 53 -10.485 -7.447 -2.410 1.00 0.00 C ATOM 747 CG ARG A 53 -10.550 -7.488 -0.885 1.00 0.00 C ATOM 748 CD ARG A 53 -11.243 -6.220 -0.392 1.00 0.00 C ATOM 749 NE ARG A 53 -11.383 -6.398 1.079 1.00 0.00 N ATOM 750 CZ ARG A 53 -12.468 -5.993 1.683 1.00 0.00 C ATOM 751 NH1 ARG A 53 -13.636 -6.379 1.250 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.384 -5.198 2.714 1.00 0.00 N ATOM 0 H ARG A 53 -8.283 -5.867 -2.210 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.806 -8.789 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.807 -6.469 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.172 -8.182 -2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.096 -8.371 -0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.546 -7.558 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.655 -5.333 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.216 -6.093 -0.867 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.633 -6.835 1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.701 -6.996 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.484 -6.064 1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.470 -4.892 3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.232 -4.882 3.185 1.00 0.00 H new ATOM 766 N SER A 54 -8.995 -8.265 -5.267 1.00 0.00 N ATOM 767 CA SER A 54 -8.881 -7.896 -6.705 1.00 0.00 C ATOM 768 C SER A 54 -9.781 -6.690 -6.972 1.00 0.00 C ATOM 769 O SER A 54 -9.424 -5.769 -7.680 1.00 0.00 O ATOM 770 CB SER A 54 -9.373 -9.124 -7.470 1.00 0.00 C ATOM 771 OG SER A 54 -8.376 -10.135 -7.423 1.00 0.00 O ATOM 0 H SER A 54 -9.128 -9.258 -5.076 1.00 0.00 H new ATOM 0 HA SER A 54 -7.868 -7.627 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.301 -9.492 -7.033 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.591 -8.859 -8.505 1.00 0.00 H new ATOM 0 HG SER A 54 -7.511 -9.753 -7.680 1.00 0.00 H new ATOM 777 N LYS A 55 -10.944 -6.693 -6.386 1.00 0.00 N ATOM 778 CA LYS A 55 -11.892 -5.566 -6.559 1.00 0.00 C ATOM 779 C LYS A 55 -12.505 -5.229 -5.189 1.00 0.00 C ATOM 780 O LYS A 55 -12.357 -5.974 -4.241 1.00 0.00 O ATOM 781 CB LYS A 55 -12.937 -6.111 -7.548 1.00 0.00 C ATOM 782 CG LYS A 55 -14.357 -5.758 -7.095 1.00 0.00 C ATOM 783 CD LYS A 55 -15.373 -6.467 -7.992 1.00 0.00 C ATOM 784 CE LYS A 55 -16.767 -6.360 -7.370 1.00 0.00 C ATOM 785 NZ LYS A 55 -17.407 -5.202 -8.055 1.00 0.00 N ATOM 0 H LYS A 55 -11.281 -7.444 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.442 -4.647 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.755 -5.698 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.836 -7.193 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.503 -6.056 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.507 -4.679 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.371 -6.019 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.097 -7.514 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.339 -7.275 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.708 -6.198 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.368 -5.065 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.844 -4.344 -7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.456 -5.387 -9.077 1.00 0.00 H new ATOM 799 N CYS A 56 -13.191 -4.125 -5.073 1.00 0.00 N ATOM 800 CA CYS A 56 -13.802 -3.775 -3.755 1.00 0.00 C ATOM 801 C CYS A 56 -15.326 -3.727 -3.877 1.00 0.00 C ATOM 802 O CYS A 56 -15.877 -3.843 -4.953 1.00 0.00 O ATOM 803 CB CYS A 56 -13.249 -2.393 -3.393 1.00 0.00 C ATOM 804 SG CYS A 56 -11.472 -2.332 -3.739 1.00 0.00 S ATOM 0 H CYS A 56 -13.355 -3.455 -5.824 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.563 -4.513 -2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.767 -1.623 -3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.431 -2.183 -2.339 1.00 0.00 H new ATOM 809 N PHE A 57 -16.014 -3.558 -2.780 1.00 0.00 N ATOM 810 CA PHE A 57 -17.502 -3.506 -2.836 1.00 0.00 C ATOM 811 C PHE A 57 -17.962 -2.121 -3.293 1.00 0.00 C ATOM 812 O PHE A 57 -17.175 -1.304 -3.727 1.00 0.00 O ATOM 813 CB PHE A 57 -17.964 -3.775 -1.405 1.00 0.00 C ATOM 814 CG PHE A 57 -18.184 -5.255 -1.214 1.00 0.00 C ATOM 815 CD1 PHE A 57 -17.087 -6.113 -1.063 1.00 0.00 C ATOM 816 CD2 PHE A 57 -19.485 -5.772 -1.188 1.00 0.00 C ATOM 817 CE1 PHE A 57 -17.292 -7.486 -0.887 1.00 0.00 C ATOM 818 CE2 PHE A 57 -19.690 -7.145 -1.012 1.00 0.00 C ATOM 819 CZ PHE A 57 -18.593 -8.003 -0.861 1.00 0.00 C ATOM 0 H PHE A 57 -15.610 -3.454 -1.849 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.914 -4.230 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.218 -3.414 -0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -18.886 -3.231 -1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -16.083 -5.715 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -20.331 -5.111 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.446 -8.147 -0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -20.694 -7.543 -0.993 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.751 -9.063 -0.725 1.00 0.00 H new ATOM 829 N ARG A 58 -19.234 -1.851 -3.199 1.00 0.00 N ATOM 830 CA ARG A 58 -19.748 -0.525 -3.626 1.00 0.00 C ATOM 831 C ARG A 58 -19.669 0.468 -2.470 1.00 0.00 C ATOM 832 O ARG A 58 -19.284 1.609 -2.640 1.00 0.00 O ATOM 833 CB ARG A 58 -21.202 -0.773 -4.023 1.00 0.00 C ATOM 834 CG ARG A 58 -21.630 0.262 -5.064 1.00 0.00 C ATOM 835 CD ARG A 58 -23.143 0.473 -4.985 1.00 0.00 C ATOM 836 NE ARG A 58 -23.352 1.897 -5.367 1.00 0.00 N ATOM 837 CZ ARG A 58 -24.561 2.365 -5.510 1.00 0.00 C ATOM 838 NH1 ARG A 58 -25.197 2.193 -6.636 1.00 0.00 N ATOM 839 NH2 ARG A 58 -25.134 3.003 -4.526 1.00 0.00 N ATOM 0 H ARG A 58 -19.940 -2.495 -2.843 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.169 -0.102 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.313 -1.779 -4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.846 -0.710 -3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.111 1.205 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -21.351 -0.075 -6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -23.671 -0.199 -5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -23.518 0.274 -3.981 1.00 0.00 H new ATOM 0 HE ARG A 58 -22.549 2.507 -5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -24.749 1.693 -7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -26.143 2.559 -6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -24.636 3.135 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -26.079 3.369 -4.637 1.00 0.00 H new ATOM 853 N HIS A 59 -20.026 0.041 -1.295 1.00 0.00 N ATOM 854 CA HIS A 59 -19.969 0.957 -0.123 1.00 0.00 C ATOM 855 C HIS A 59 -18.512 1.231 0.265 1.00 0.00 C ATOM 856 O HIS A 59 -18.239 1.976 1.186 1.00 0.00 O ATOM 857 CB HIS A 59 -20.692 0.210 0.998 1.00 0.00 C ATOM 858 CG HIS A 59 -20.693 1.053 2.244 1.00 0.00 C ATOM 859 ND1 HIS A 59 -20.696 2.438 2.199 1.00 0.00 N ATOM 860 CD2 HIS A 59 -20.691 0.722 3.576 1.00 0.00 C ATOM 861 CE1 HIS A 59 -20.695 2.886 3.468 1.00 0.00 C ATOM 862 NE2 HIS A 59 -20.693 1.880 4.347 1.00 0.00 N ATOM 0 H HIS A 59 -20.355 -0.903 -1.093 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.428 1.923 -0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.715 -0.016 0.698 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.199 -0.743 1.191 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -20.688 -0.285 3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -20.696 3.931 3.742 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -20.693 1.947 5.365 1.00 0.00 H new ATOM 870 N GLU A 60 -17.573 0.640 -0.426 1.00 0.00 N ATOM 871 CA GLU A 60 -16.143 0.878 -0.084 1.00 0.00 C ATOM 872 C GLU A 60 -15.399 1.448 -1.293 1.00 0.00 C ATOM 873 O GLU A 60 -15.993 1.794 -2.294 1.00 0.00 O ATOM 874 CB GLU A 60 -15.588 -0.498 0.284 1.00 0.00 C ATOM 875 CG GLU A 60 -15.773 -0.740 1.783 1.00 0.00 C ATOM 876 CD GLU A 60 -14.796 -1.821 2.249 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.882 -2.928 1.745 1.00 0.00 O ATOM 878 OE2 GLU A 60 -13.977 -1.523 3.103 1.00 0.00 O ATOM 0 H GLU A 60 -17.735 0.006 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.028 1.595 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.101 -1.273 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.531 -0.557 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.601 0.184 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.798 -1.048 1.989 1.00 0.00 H new ATOM 885 N TYR A 61 -14.102 1.538 -1.207 1.00 0.00 N ATOM 886 CA TYR A 61 -13.314 2.074 -2.354 1.00 0.00 C ATOM 887 C TYR A 61 -11.928 1.445 -2.369 1.00 0.00 C ATOM 888 O TYR A 61 -11.683 0.439 -1.737 1.00 0.00 O ATOM 889 CB TYR A 61 -13.204 3.585 -2.120 1.00 0.00 C ATOM 890 CG TYR A 61 -12.293 3.861 -0.942 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.651 3.411 0.334 1.00 0.00 C ATOM 892 CD2 TYR A 61 -11.097 4.576 -1.120 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.823 3.669 1.431 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.270 4.835 -0.019 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.632 4.380 1.254 1.00 0.00 C ATOM 896 OH TYR A 61 -9.815 4.636 2.337 1.00 0.00 O ATOM 0 H TYR A 61 -13.552 1.264 -0.393 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.789 1.851 -3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.814 4.072 -3.014 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.192 4.005 -1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.571 2.862 0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.816 4.925 -2.103 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.103 3.320 2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.351 5.387 -0.153 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.028 5.139 2.041 1.00 0.00 H new ATOM 906 N VAL A 62 -11.020 2.042 -3.079 1.00 0.00 N ATOM 907 CA VAL A 62 -9.636 1.501 -3.136 1.00 0.00 C ATOM 908 C VAL A 62 -8.668 2.560 -2.616 1.00 0.00 C ATOM 909 O VAL A 62 -8.239 3.423 -3.352 1.00 0.00 O ATOM 910 CB VAL A 62 -9.383 1.220 -4.619 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.905 0.888 -4.835 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.241 0.035 -5.066 1.00 0.00 C ATOM 0 H VAL A 62 -11.176 2.888 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.502 0.604 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.645 2.102 -5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.728 0.688 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.292 1.732 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.641 0.007 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.062 -0.166 -6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.979 -0.846 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.294 0.271 -4.915 1.00 0.00 H new ATOM 922 N ASP A 63 -8.330 2.515 -1.353 1.00 0.00 N ATOM 923 CA ASP A 63 -7.397 3.541 -0.807 1.00 0.00 C ATOM 924 C ASP A 63 -6.146 3.614 -1.676 1.00 0.00 C ATOM 925 O ASP A 63 -5.174 2.918 -1.455 1.00 0.00 O ATOM 926 CB ASP A 63 -7.058 3.083 0.611 1.00 0.00 C ATOM 927 CG ASP A 63 -6.793 1.583 0.616 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.842 1.168 -0.026 1.00 0.00 O ATOM 929 OD2 ASP A 63 -7.546 0.871 1.260 1.00 0.00 O ATOM 0 H ASP A 63 -8.657 1.819 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.838 4.538 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.182 3.618 0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.880 3.319 1.286 1.00 0.00 H new ATOM 934 N THR A 64 -6.175 4.451 -2.671 1.00 0.00 N ATOM 935 CA THR A 64 -4.996 4.581 -3.579 1.00 0.00 C ATOM 936 C THR A 64 -3.694 4.593 -2.773 1.00 0.00 C ATOM 937 O THR A 64 -2.641 4.251 -3.274 1.00 0.00 O ATOM 938 CB THR A 64 -5.195 5.920 -4.291 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.014 6.762 -3.491 1.00 0.00 O ATOM 940 CG2 THR A 64 -5.868 5.687 -5.644 1.00 0.00 C ATOM 0 H THR A 64 -6.965 5.055 -2.899 1.00 0.00 H new ATOM 0 HA THR A 64 -4.924 3.748 -4.278 1.00 0.00 H new ATOM 0 HB THR A 64 -4.227 6.396 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.141 7.621 -3.945 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.009 6.642 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.239 5.041 -6.257 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.837 5.211 -5.491 1.00 0.00 H new ATOM 948 N TYR A 65 -3.753 4.993 -1.533 1.00 0.00 N ATOM 949 CA TYR A 65 -2.516 5.038 -0.703 1.00 0.00 C ATOM 950 C TYR A 65 -1.967 3.632 -0.447 1.00 0.00 C ATOM 951 O TYR A 65 -0.794 3.376 -0.626 1.00 0.00 O ATOM 952 CB TYR A 65 -2.951 5.678 0.614 1.00 0.00 C ATOM 953 CG TYR A 65 -1.737 6.204 1.343 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.897 5.319 2.030 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.450 7.574 1.331 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.230 5.804 2.704 1.00 0.00 C ATOM 957 CE2 TYR A 65 -0.323 8.059 2.006 1.00 0.00 C ATOM 958 CZ TYR A 65 0.517 7.175 2.693 1.00 0.00 C ATOM 959 OH TYR A 65 1.627 7.653 3.358 1.00 0.00 O ATOM 0 H TYR A 65 -4.605 5.291 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.721 5.595 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.653 6.489 0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.471 4.946 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.119 4.262 2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.098 8.257 0.801 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.878 5.121 3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.102 9.116 1.996 1.00 0.00 H new ATOM 0 HH TYR A 65 1.680 8.625 3.249 1.00 0.00 H new ATOM 969 N TYR A 66 -2.796 2.725 -0.005 1.00 0.00 N ATOM 970 CA TYR A 66 -2.298 1.347 0.288 1.00 0.00 C ATOM 971 C TYR A 66 -2.328 0.453 -0.961 1.00 0.00 C ATOM 972 O TYR A 66 -1.848 -0.668 -0.945 1.00 0.00 O ATOM 973 CB TYR A 66 -3.229 0.810 1.371 1.00 0.00 C ATOM 974 CG TYR A 66 -2.636 1.129 2.723 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.576 0.359 3.224 1.00 0.00 C ATOM 976 CD2 TYR A 66 -3.137 2.199 3.473 1.00 0.00 C ATOM 977 CE1 TYR A 66 -1.023 0.660 4.475 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.583 2.500 4.722 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.527 1.731 5.224 1.00 0.00 C ATOM 980 OH TYR A 66 -0.981 2.027 6.456 1.00 0.00 O ATOM 0 H TYR A 66 -3.790 2.875 0.165 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.257 1.360 0.611 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.217 1.260 1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.357 -0.267 1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.187 -0.466 2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.952 2.793 3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.208 0.066 4.862 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.971 3.326 5.299 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.445 2.799 6.842 1.00 0.00 H new ATOM 990 N SER A 67 -2.867 0.934 -2.046 1.00 0.00 N ATOM 991 CA SER A 67 -2.902 0.104 -3.287 1.00 0.00 C ATOM 992 C SER A 67 -1.481 -0.351 -3.644 1.00 0.00 C ATOM 993 O SER A 67 -1.285 -1.279 -4.405 1.00 0.00 O ATOM 994 CB SER A 67 -3.454 1.033 -4.367 1.00 0.00 C ATOM 995 OG SER A 67 -3.318 0.411 -5.638 1.00 0.00 O ATOM 0 H SER A 67 -3.284 1.861 -2.130 1.00 0.00 H new ATOM 0 HA SER A 67 -3.511 -0.793 -3.175 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.502 1.256 -4.169 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.918 1.982 -4.355 1.00 0.00 H new ATOM 0 HG SER A 67 -3.673 1.005 -6.332 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.489 0.307 -3.102 1.00 0.00 N ATOM 1002 CA ALA A 68 0.924 -0.069 -3.408 1.00 0.00 C ATOM 1003 C ALA A 68 1.286 -1.416 -2.770 1.00 0.00 C ATOM 1004 O ALA A 68 1.820 -2.291 -3.423 1.00 0.00 O ATOM 1005 CB ALA A 68 1.769 1.055 -2.808 1.00 0.00 C ATOM 0 H ALA A 68 -0.597 1.091 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 68 1.090 -0.184 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.825 0.854 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.495 2.003 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.591 1.111 -1.734 1.00 0.00 H new ATOM 1011 N VAL A 69 1.006 -1.598 -1.505 1.00 0.00 N ATOM 1012 CA VAL A 69 1.346 -2.898 -0.858 1.00 0.00 C ATOM 1013 C VAL A 69 0.455 -3.993 -1.433 1.00 0.00 C ATOM 1014 O VAL A 69 0.829 -5.146 -1.491 1.00 0.00 O ATOM 1015 CB VAL A 69 1.094 -2.704 0.644 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.400 -2.574 0.925 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.641 -3.904 1.416 1.00 0.00 C ATOM 0 H VAL A 69 0.561 -0.909 -0.898 1.00 0.00 H new ATOM 0 HA VAL A 69 2.380 -3.194 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 69 1.598 -1.792 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.558 -2.437 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.798 -1.714 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.912 -3.478 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.461 -3.764 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.140 -4.812 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.713 -3.993 1.238 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.718 -3.636 -1.876 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.627 -4.656 -2.465 1.00 0.00 C ATOM 1029 C CYS A 70 -0.970 -5.291 -3.692 1.00 0.00 C ATOM 1030 O CYS A 70 -0.849 -6.495 -3.789 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.880 -3.882 -2.864 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.252 -4.393 -1.807 1.00 0.00 S ATOM 0 H CYS A 70 -1.085 -2.685 -1.856 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.855 -5.465 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.708 -2.810 -2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.121 -4.070 -3.910 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.541 -4.487 -4.626 1.00 0.00 N ATOM 1038 CA GLY A 71 0.116 -5.044 -5.844 1.00 0.00 C ATOM 1039 C GLY A 71 -0.938 -5.326 -6.917 1.00 0.00 C ATOM 1040 O GLY A 71 -1.678 -4.450 -7.319 1.00 0.00 O ATOM 0 H GLY A 71 -0.616 -3.470 -4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.856 -4.339 -6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.649 -5.962 -5.594 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.011 -6.542 -7.383 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.017 -6.880 -8.430 1.00 0.00 C ATOM 1046 C ARG A 72 -3.415 -6.483 -7.958 1.00 0.00 C ATOM 1047 O ARG A 72 -4.201 -5.930 -8.702 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.917 -8.396 -8.603 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.301 -8.712 -9.968 1.00 0.00 C ATOM 1050 CD ARG A 72 -0.446 -9.976 -9.862 1.00 0.00 C ATOM 1051 NE ARG A 72 -1.262 -11.045 -10.501 1.00 0.00 N ATOM 1052 CZ ARG A 72 -1.438 -11.045 -11.793 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -0.406 -11.063 -12.592 1.00 0.00 N ATOM 1054 NH2 ARG A 72 -2.645 -11.027 -12.287 1.00 0.00 N ATOM 0 H ARG A 72 -0.418 -7.316 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.835 -6.353 -9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.306 -8.824 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.906 -8.848 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.087 -8.853 -10.710 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.691 -7.875 -10.306 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.509 -9.851 -10.371 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.224 -10.217 -8.822 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.683 -11.777 -9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.538 -11.077 -12.206 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.543 -11.063 -13.603 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.451 -11.013 -11.663 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.782 -11.027 -13.298 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.731 -6.754 -6.722 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.076 -6.384 -6.199 1.00 0.00 C ATOM 1070 C TYR A 73 -5.061 -4.940 -5.696 1.00 0.00 C ATOM 1071 O TYR A 73 -4.059 -4.257 -5.765 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.332 -7.332 -5.026 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.353 -8.765 -5.502 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -5.681 -9.066 -6.830 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -5.047 -9.796 -4.606 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -5.702 -10.398 -7.259 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -5.069 -11.128 -5.034 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.397 -11.429 -6.361 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.419 -12.742 -6.786 1.00 0.00 O ATOM 0 H TYR A 73 -3.116 -7.216 -6.052 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.845 -6.463 -6.967 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.556 -7.204 -4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.282 -7.086 -4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.917 -8.271 -7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.793 -9.563 -3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.954 -10.631 -8.283 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.833 -11.923 -4.342 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.182 -13.331 -6.040 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.161 -4.481 -5.173 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.211 -3.091 -4.642 1.00 0.00 C ATOM 1091 C PHE A 74 -6.583 -3.131 -3.164 1.00 0.00 C ATOM 1092 O PHE A 74 -7.384 -3.940 -2.740 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.305 -2.381 -5.436 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.098 -2.612 -6.908 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -5.807 -2.602 -7.446 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.202 -2.835 -7.735 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -5.622 -2.816 -8.817 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -8.019 -3.048 -9.105 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.729 -3.039 -9.647 1.00 0.00 C ATOM 0 H PHE A 74 -7.030 -5.009 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.253 -2.580 -4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.285 -2.752 -5.135 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.288 -1.313 -5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.955 -2.430 -6.805 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.197 -2.843 -7.316 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.626 -2.809 -9.235 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.873 -3.219 -9.744 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.586 -3.204 -10.705 1.00 0.00 H new ATOM 1109 N CYS A 75 -6.019 -2.268 -2.374 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.363 -2.273 -0.931 1.00 0.00 C ATOM 1111 C CYS A 75 -7.701 -1.564 -0.733 1.00 0.00 C ATOM 1112 O CYS A 75 -7.777 -0.351 -0.722 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.227 -1.511 -0.248 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.698 -1.129 1.455 1.00 0.00 S ATOM 0 H CYS A 75 -5.339 -1.564 -2.662 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.466 -3.277 -0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.315 -2.108 -0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -5.012 -0.591 -0.792 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.764 -2.308 -0.596 1.00 0.00 N ATOM 1120 CA CYS A 76 -10.089 -1.662 -0.418 1.00 0.00 C ATOM 1121 C CYS A 76 -10.259 -1.200 1.027 1.00 0.00 C ATOM 1122 O CYS A 76 -9.544 -1.623 1.916 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.115 -2.736 -0.772 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.651 -3.524 -2.333 1.00 0.00 S ATOM 0 H CYS A 76 -8.770 -3.328 -0.600 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.204 -0.779 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.166 -3.481 0.022 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.107 -2.292 -0.857 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.195 -0.329 1.264 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.410 0.178 2.647 1.00 0.00 C ATOM 1131 C ARG A 77 -12.818 0.753 2.787 1.00 0.00 C ATOM 1132 O ARG A 77 -13.613 0.704 1.869 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.371 1.286 2.820 1.00 0.00 C ATOM 1134 CG ARG A 77 -9.300 0.845 3.817 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.743 2.078 4.531 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.883 2.599 5.333 1.00 0.00 N ATOM 1137 CZ ARG A 77 -9.692 3.553 6.202 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -8.504 3.752 6.705 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -10.690 4.309 6.571 1.00 0.00 N ATOM 0 H ARG A 77 -11.823 0.056 0.559 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.309 -0.608 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.912 1.519 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.854 2.198 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.724 0.150 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.499 0.316 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.897 1.818 5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.388 2.822 3.818 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.816 2.209 5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.723 3.161 6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.356 4.498 7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.619 4.154 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.541 5.055 7.250 1.00 0.00 H new ATOM 1153 N SER A 78 -13.127 1.306 3.927 1.00 0.00 N ATOM 1154 CA SER A 78 -14.483 1.893 4.128 1.00 0.00 C ATOM 1155 C SER A 78 -14.375 3.394 4.407 1.00 0.00 C ATOM 1156 O SER A 78 -14.379 3.827 5.542 1.00 0.00 O ATOM 1157 CB SER A 78 -15.058 1.160 5.338 1.00 0.00 C ATOM 1158 OG SER A 78 -16.082 0.273 4.909 1.00 0.00 O ATOM 0 H SER A 78 -12.500 1.377 4.728 1.00 0.00 H new ATOM 0 HA SER A 78 -15.116 1.781 3.247 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.271 0.605 5.849 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.459 1.877 6.055 1.00 0.00 H new ATOM 0 HG SER A 78 -16.451 -0.200 5.684 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.278 4.192 3.379 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.170 5.665 3.583 1.00 0.00 C ATOM 1166 C ARG A 79 -15.146 6.123 4.671 1.00 0.00 C ATOM 1167 O ARG A 79 -14.723 6.235 5.809 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.544 6.277 2.232 1.00 0.00 C ATOM 1169 CG ARG A 79 -14.466 7.802 2.322 1.00 0.00 C ATOM 1170 CD ARG A 79 -15.600 8.420 1.502 1.00 0.00 C ATOM 1171 NE ARG A 79 -14.993 9.607 0.838 1.00 0.00 N ATOM 1172 CZ ARG A 79 -13.989 9.455 0.018 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -14.064 8.584 -0.951 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -12.911 10.175 0.168 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.299 6.352 4.346 1.00 0.00 O ATOM 0 H ARG A 79 -14.269 3.887 2.406 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.174 5.967 3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.869 5.913 1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.551 5.970 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.540 8.120 3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.502 8.150 1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -15.988 7.713 0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -16.436 8.709 2.139 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.362 10.539 1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.907 8.022 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.279 8.465 -1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.854 10.856 0.925 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.126 10.057 -0.472 1.00 0.00 H new