USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 466 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 469 ASN : amide:sc= -0.0458 K(o=-0.046,f=-1.9!) USER MOD Single : A 420 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 423 THR OG1 : rot 180:sc= 0 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 GLN : amide:sc= -1.19 K(o=-1.2,f=-6!) USER MOD Single : A 436 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 442 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 72:sc= 0.742 USER MOD Single : A 445 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-4.6!) USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 451 HIS : no HD1:sc= -0.0255 X(o=-0.026,f=-0.35) USER MOD Single : A 452 CYS SG : rot 16:sc= -2! USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.61) USER MOD Single : A 459 HIS : no HD1:sc= 0 X(o=0,f=-0.0008) USER MOD Single : A 460 LYS NZ :NH3+ -163:sc= -0.0194 (180deg=-0.288) USER MOD Single : A 465 SER OG : rot 180:sc= 0 USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 478 SER OG : rot 180:sc= 0.00429 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 7.938 -5.640 11.043 1.00 0.00 N ATOM 19 CA GLU A 418 6.918 -5.210 10.042 1.00 0.00 C ATOM 20 C GLU A 418 7.432 -4.008 9.260 1.00 0.00 C ATOM 21 O GLU A 418 8.422 -3.404 9.612 1.00 0.00 O ATOM 22 CB GLU A 418 5.616 -4.835 10.758 1.00 0.00 C ATOM 23 CG GLU A 418 4.986 -6.085 11.391 1.00 0.00 C ATOM 24 CD GLU A 418 5.658 -6.390 12.734 1.00 0.00 C ATOM 25 OE1 GLU A 418 6.614 -5.710 13.067 1.00 0.00 O ATOM 26 OE2 GLU A 418 5.199 -7.298 13.406 1.00 0.00 O ATOM 0 HA GLU A 418 6.729 -6.033 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 418 5.816 -4.089 11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 418 4.919 -4.385 10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 418 3.917 -5.929 11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 418 5.095 -6.937 10.719 1.00 0.00 H new ATOM 33 N VAL A 419 6.755 -3.667 8.192 1.00 0.00 N ATOM 34 CA VAL A 419 7.183 -2.508 7.352 1.00 0.00 C ATOM 35 C VAL A 419 6.244 -1.333 7.585 1.00 0.00 C ATOM 36 O VAL A 419 5.037 -1.468 7.575 1.00 0.00 O ATOM 37 CB VAL A 419 7.166 -2.898 5.871 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.200 -3.998 5.623 1.00 0.00 C ATOM 39 CG2 VAL A 419 5.776 -3.403 5.466 1.00 0.00 C ATOM 0 H VAL A 419 5.917 -4.147 7.864 1.00 0.00 H new ATOM 0 HA VAL A 419 8.197 -2.221 7.631 1.00 0.00 H new ATOM 0 HB VAL A 419 7.409 -2.020 5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.189 -4.277 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.191 -3.633 5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 419 7.957 -4.869 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 419 5.781 -3.676 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 419 5.517 -4.276 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.040 -2.617 5.634 1.00 0.00 H new ATOM 49 N MET A 420 6.812 -0.183 7.814 1.00 0.00 N ATOM 50 CA MET A 420 5.997 1.033 8.074 1.00 0.00 C ATOM 51 C MET A 420 5.700 1.752 6.767 1.00 0.00 C ATOM 52 O MET A 420 6.569 1.976 5.949 1.00 0.00 O ATOM 53 CB MET A 420 6.766 1.966 9.013 1.00 0.00 C ATOM 54 CG MET A 420 5.855 3.121 9.433 1.00 0.00 C ATOM 55 SD MET A 420 6.776 4.268 10.489 1.00 0.00 S ATOM 56 CE MET A 420 6.340 3.519 12.079 1.00 0.00 C ATOM 0 H MET A 420 7.821 -0.033 7.832 1.00 0.00 H new ATOM 0 HA MET A 420 5.055 0.742 8.538 1.00 0.00 H new ATOM 0 HB2 MET A 420 7.106 1.418 9.891 1.00 0.00 H new ATOM 0 HB3 MET A 420 7.655 2.351 8.514 1.00 0.00 H new ATOM 0 HG2 MET A 420 5.482 3.642 8.551 1.00 0.00 H new ATOM 0 HG3 MET A 420 4.986 2.736 9.967 1.00 0.00 H new ATOM 0 HE1 MET A 420 6.811 4.079 12.887 1.00 0.00 H new ATOM 0 HE2 MET A 420 5.258 3.540 12.206 1.00 0.00 H new ATOM 0 HE3 MET A 420 6.688 2.486 12.103 1.00 0.00 H new ATOM 66 N VAL A 421 4.463 2.118 6.582 1.00 0.00 N ATOM 67 CA VAL A 421 4.044 2.836 5.345 1.00 0.00 C ATOM 68 C VAL A 421 3.213 4.052 5.723 1.00 0.00 C ATOM 69 O VAL A 421 2.733 4.171 6.834 1.00 0.00 O ATOM 70 CB VAL A 421 3.220 1.902 4.453 1.00 0.00 C ATOM 71 CG1 VAL A 421 4.126 0.798 3.909 1.00 0.00 C ATOM 72 CG2 VAL A 421 2.077 1.269 5.259 1.00 0.00 C ATOM 0 H VAL A 421 3.710 1.947 7.248 1.00 0.00 H new ATOM 0 HA VAL A 421 4.930 3.158 4.798 1.00 0.00 H new ATOM 0 HB VAL A 421 2.797 2.477 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.544 0.130 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 421 4.932 1.243 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.548 0.232 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.499 0.608 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 421 2.491 0.696 6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.428 2.054 5.648 1.00 0.00 H new ATOM 82 N PHE A 422 3.051 4.962 4.798 1.00 0.00 N ATOM 83 CA PHE A 422 2.263 6.201 5.073 1.00 0.00 C ATOM 84 C PHE A 422 1.134 6.331 4.065 1.00 0.00 C ATOM 85 O PHE A 422 1.290 6.077 2.886 1.00 0.00 O ATOM 86 CB PHE A 422 3.179 7.419 4.958 1.00 0.00 C ATOM 87 CG PHE A 422 4.316 7.301 5.946 1.00 0.00 C ATOM 88 CD1 PHE A 422 5.499 6.651 5.578 1.00 0.00 C ATOM 89 CD2 PHE A 422 4.187 7.846 7.229 1.00 0.00 C ATOM 90 CE1 PHE A 422 6.554 6.542 6.493 1.00 0.00 C ATOM 91 CE2 PHE A 422 5.243 7.739 8.144 1.00 0.00 C ATOM 92 CZ PHE A 422 6.426 7.087 7.776 1.00 0.00 C ATOM 0 H PHE A 422 3.435 4.899 3.855 1.00 0.00 H new ATOM 0 HA PHE A 422 1.845 6.143 6.078 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.573 7.495 3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.613 8.330 5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 422 5.599 6.233 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 422 3.274 8.349 7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 422 7.466 6.038 6.209 1.00 0.00 H new ATOM 0 HE2 PHE A 422 5.144 8.160 9.134 1.00 0.00 H new ATOM 0 HZ PHE A 422 7.239 7.005 8.482 1.00 0.00 H new ATOM 102 N THR A 423 -0.014 6.729 4.543 1.00 0.00 N ATOM 103 CA THR A 423 -1.195 6.896 3.657 1.00 0.00 C ATOM 104 C THR A 423 -1.365 8.382 3.323 1.00 0.00 C ATOM 105 O THR A 423 -0.878 9.240 4.036 1.00 0.00 O ATOM 106 CB THR A 423 -2.459 6.376 4.375 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.131 7.458 5.007 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.076 5.329 5.423 1.00 0.00 C ATOM 0 H THR A 423 -0.183 6.948 5.525 1.00 0.00 H new ATOM 0 HA THR A 423 -1.048 6.329 2.738 1.00 0.00 H new ATOM 0 HB THR A 423 -3.120 5.918 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 423 -3.933 7.125 5.460 1.00 0.00 H new ATOM 0 HG21 THR A 423 -2.975 4.969 5.923 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.573 4.494 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.407 5.777 6.158 1.00 0.00 H new ATOM 116 N PRO A 424 -2.066 8.688 2.258 1.00 0.00 N ATOM 117 CA PRO A 424 -2.305 10.101 1.838 1.00 0.00 C ATOM 118 C PRO A 424 -2.805 10.976 2.999 1.00 0.00 C ATOM 119 O PRO A 424 -2.493 12.146 3.079 1.00 0.00 O ATOM 120 CB PRO A 424 -3.396 9.969 0.761 1.00 0.00 C ATOM 121 CG PRO A 424 -3.210 8.603 0.185 1.00 0.00 C ATOM 122 CD PRO A 424 -2.691 7.727 1.323 1.00 0.00 C ATOM 0 HA PRO A 424 -1.393 10.584 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -4.391 10.083 1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -3.290 10.738 -0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.150 8.215 -0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -2.503 8.623 -0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -3.499 7.173 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -1.970 6.993 0.964 1.00 0.00 H new ATOM 130 N LYS A 425 -3.588 10.410 3.879 1.00 0.00 N ATOM 131 CA LYS A 425 -4.133 11.189 5.031 1.00 0.00 C ATOM 132 C LYS A 425 -3.024 11.437 6.057 1.00 0.00 C ATOM 133 O LYS A 425 -3.221 12.129 7.036 1.00 0.00 O ATOM 134 CB LYS A 425 -5.269 10.393 5.683 1.00 0.00 C ATOM 135 CG LYS A 425 -6.283 9.955 4.620 1.00 0.00 C ATOM 136 CD LYS A 425 -6.955 11.188 4.007 1.00 0.00 C ATOM 137 CE LYS A 425 -8.212 10.768 3.247 1.00 0.00 C ATOM 138 NZ LYS A 425 -8.907 11.985 2.737 1.00 0.00 N ATOM 0 H LYS A 425 -3.876 9.432 3.849 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.513 12.148 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -4.865 9.519 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -5.764 11.003 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -5.783 9.378 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -7.034 9.304 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -7.214 11.900 4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -6.263 11.693 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -7.948 10.111 2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -8.876 10.203 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -9.764 11.704 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -9.171 12.595 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -8.272 12.506 2.099 1.00 0.00 H new ATOM 152 N GLY A 426 -1.864 10.888 5.824 1.00 0.00 N ATOM 153 CA GLY A 426 -0.718 11.089 6.763 1.00 0.00 C ATOM 154 C GLY A 426 -0.792 10.062 7.894 1.00 0.00 C ATOM 155 O GLY A 426 -0.041 10.122 8.847 1.00 0.00 O ATOM 0 H GLY A 426 -1.656 10.302 5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 426 0.226 10.987 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -0.744 12.099 7.173 1.00 0.00 H new ATOM 159 N GLU A 427 -1.695 9.130 7.784 1.00 0.00 N ATOM 160 CA GLU A 427 -1.852 8.086 8.836 1.00 0.00 C ATOM 161 C GLU A 427 -0.716 7.075 8.764 1.00 0.00 C ATOM 162 O GLU A 427 -0.128 6.851 7.728 1.00 0.00 O ATOM 163 CB GLU A 427 -3.188 7.368 8.634 1.00 0.00 C ATOM 164 CG GLU A 427 -4.341 8.322 8.958 1.00 0.00 C ATOM 165 CD GLU A 427 -4.339 8.644 10.454 1.00 0.00 C ATOM 166 OE1 GLU A 427 -3.777 7.865 11.206 1.00 0.00 O ATOM 167 OE2 GLU A 427 -4.898 9.663 10.820 1.00 0.00 O ATOM 0 H GLU A 427 -2.341 9.045 6.999 1.00 0.00 H new ATOM 0 HA GLU A 427 -1.828 8.565 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.272 7.017 7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.240 6.488 9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -4.240 9.240 8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -5.291 7.869 8.675 1.00 0.00 H new ATOM 174 N ILE A 428 -0.412 6.463 9.879 1.00 0.00 N ATOM 175 CA ILE A 428 0.683 5.451 9.925 1.00 0.00 C ATOM 176 C ILE A 428 0.085 4.054 10.002 1.00 0.00 C ATOM 177 O ILE A 428 -0.676 3.740 10.894 1.00 0.00 O ATOM 178 CB ILE A 428 1.565 5.697 11.153 1.00 0.00 C ATOM 179 CG1 ILE A 428 1.918 7.188 11.258 1.00 0.00 C ATOM 180 CG2 ILE A 428 2.846 4.873 11.025 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.515 7.682 9.936 1.00 0.00 C ATOM 0 H ILE A 428 -0.882 6.624 10.770 1.00 0.00 H new ATOM 0 HA ILE A 428 1.288 5.538 9.023 1.00 0.00 H new ATOM 0 HB ILE A 428 1.024 5.399 12.051 1.00 0.00 H new ATOM 0 HG12 ILE A 428 1.026 7.765 11.501 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.630 7.345 12.069 1.00 0.00 H new ATOM 0 HG21 ILE A 428 3.478 5.044 11.897 1.00 0.00 H new ATOM 0 HG22 ILE A 428 2.593 3.815 10.963 1.00 0.00 H new ATOM 0 HG23 ILE A 428 3.382 5.172 10.124 1.00 0.00 H new ATOM 0 HD11 ILE A 428 2.762 8.740 10.021 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.419 7.116 9.711 1.00 0.00 H new ATOM 0 HD13 ILE A 428 1.790 7.542 9.134 1.00 0.00 H new ATOM 193 N LYS A 429 0.427 3.218 9.055 1.00 0.00 N ATOM 194 CA LYS A 429 -0.107 1.821 9.035 1.00 0.00 C ATOM 195 C LYS A 429 1.035 0.823 8.930 1.00 0.00 C ATOM 196 O LYS A 429 1.960 0.987 8.162 1.00 0.00 O ATOM 197 CB LYS A 429 -1.044 1.664 7.834 1.00 0.00 C ATOM 198 CG LYS A 429 -2.192 2.679 7.925 1.00 0.00 C ATOM 199 CD LYS A 429 -3.222 2.212 8.960 1.00 0.00 C ATOM 200 CE LYS A 429 -4.394 3.189 8.989 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.398 2.723 9.985 1.00 0.00 N ATOM 0 H LYS A 429 1.059 3.445 8.287 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.653 1.629 9.959 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.489 1.813 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.445 0.651 7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.802 3.658 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.668 2.791 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.575 1.211 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.761 2.151 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -4.043 4.188 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.850 3.258 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.198 3.387 10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.739 1.778 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -4.958 2.679 10.926 1.00 0.00 H new ATOM 215 N ARG A 430 0.959 -0.220 9.716 1.00 0.00 N ATOM 216 CA ARG A 430 2.015 -1.273 9.711 1.00 0.00 C ATOM 217 C ARG A 430 1.476 -2.535 9.059 1.00 0.00 C ATOM 218 O ARG A 430 0.389 -2.987 9.363 1.00 0.00 O ATOM 219 CB ARG A 430 2.427 -1.589 11.151 1.00 0.00 C ATOM 220 CG ARG A 430 2.755 -0.291 11.894 1.00 0.00 C ATOM 221 CD ARG A 430 3.926 0.423 11.214 1.00 0.00 C ATOM 222 NE ARG A 430 4.981 -0.571 10.859 1.00 0.00 N ATOM 223 CZ ARG A 430 5.885 -0.935 11.735 1.00 0.00 C ATOM 224 NH1 ARG A 430 5.889 -0.428 12.940 1.00 0.00 N ATOM 225 NH2 ARG A 430 6.791 -1.810 11.398 1.00 0.00 N ATOM 0 H ARG A 430 0.196 -0.388 10.372 1.00 0.00 H new ATOM 0 HA ARG A 430 2.878 -0.913 9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.622 -2.117 11.662 1.00 0.00 H new ATOM 0 HB3 ARG A 430 3.294 -2.250 11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 430 1.881 0.360 11.908 1.00 0.00 H new ATOM 0 HG3 ARG A 430 3.006 -0.510 12.932 1.00 0.00 H new ATOM 0 HD2 ARG A 430 3.580 0.937 10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 430 4.337 1.183 11.879 1.00 0.00 H new ATOM 0 HE ARG A 430 4.999 -0.973 9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 430 5.183 0.259 13.207 1.00 0.00 H new ATOM 0 HH12 ARG A 430 6.598 -0.719 13.613 1.00 0.00 H new ATOM 0 HH21 ARG A 430 6.793 -2.206 10.458 1.00 0.00 H new ATOM 0 HH22 ARG A 430 7.498 -2.098 12.074 1.00 0.00 H new ATOM 239 N LEU A 431 2.241 -3.103 8.164 1.00 0.00 N ATOM 240 CA LEU A 431 1.808 -4.344 7.465 1.00 0.00 C ATOM 241 C LEU A 431 2.837 -5.456 7.700 1.00 0.00 C ATOM 242 O LEU A 431 4.010 -5.192 7.888 1.00 0.00 O ATOM 243 CB LEU A 431 1.686 -4.079 5.960 1.00 0.00 C ATOM 244 CG LEU A 431 0.863 -2.810 5.722 1.00 0.00 C ATOM 245 CD1 LEU A 431 0.885 -2.463 4.233 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.586 -3.041 6.171 1.00 0.00 C ATOM 0 H LEU A 431 3.158 -2.754 7.886 1.00 0.00 H new ATOM 0 HA LEU A 431 0.840 -4.653 7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 431 2.677 -3.969 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.211 -4.929 5.469 1.00 0.00 H new ATOM 0 HG LEU A 431 1.291 -1.988 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 431 0.300 -1.560 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 431 1.914 -2.295 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.458 -3.287 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -1.169 -2.136 6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -1.017 -3.863 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.603 -3.288 7.232 1.00 0.00 H new ATOM 258 N PRO A 432 2.408 -6.700 7.662 1.00 0.00 N ATOM 259 CA PRO A 432 3.323 -7.865 7.852 1.00 0.00 C ATOM 260 C PRO A 432 4.541 -7.824 6.921 1.00 0.00 C ATOM 261 O PRO A 432 4.481 -7.322 5.815 1.00 0.00 O ATOM 262 CB PRO A 432 2.441 -9.081 7.525 1.00 0.00 C ATOM 263 CG PRO A 432 1.035 -8.628 7.754 1.00 0.00 C ATOM 264 CD PRO A 432 1.009 -7.133 7.463 1.00 0.00 C ATOM 0 HA PRO A 432 3.740 -7.882 8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.586 -9.405 6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 432 2.689 -9.929 8.164 1.00 0.00 H new ATOM 0 HG2 PRO A 432 0.344 -9.162 7.102 1.00 0.00 H new ATOM 0 HG3 PRO A 432 0.725 -8.829 8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 432 0.670 -6.931 6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 432 0.330 -6.608 8.135 1.00 0.00 H new ATOM 272 N GLN A 433 5.646 -8.338 7.388 1.00 0.00 N ATOM 273 CA GLN A 433 6.892 -8.335 6.578 1.00 0.00 C ATOM 274 C GLN A 433 6.674 -9.066 5.255 1.00 0.00 C ATOM 275 O GLN A 433 6.200 -10.181 5.215 1.00 0.00 O ATOM 276 CB GLN A 433 8.017 -9.021 7.365 1.00 0.00 C ATOM 277 CG GLN A 433 9.342 -8.886 6.604 1.00 0.00 C ATOM 278 CD GLN A 433 9.759 -7.415 6.550 1.00 0.00 C ATOM 279 OE1 GLN A 433 9.330 -6.681 5.679 1.00 0.00 O ATOM 280 NE2 GLN A 433 10.575 -6.947 7.451 1.00 0.00 N ATOM 0 H GLN A 433 5.737 -8.765 8.310 1.00 0.00 H new ATOM 0 HA GLN A 433 7.168 -7.302 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.108 -8.571 8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 433 7.779 -10.074 7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 433 10.116 -9.475 7.095 1.00 0.00 H new ATOM 0 HG3 GLN A 433 9.234 -9.281 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 433 10.935 -7.561 8.181 1.00 0.00 H new ATOM 0 HE22 GLN A 433 10.854 -5.966 7.426 1.00 0.00 H new ATOM 289 N GLY A 434 7.043 -8.426 4.178 1.00 0.00 N ATOM 290 CA GLY A 434 6.894 -9.041 2.830 1.00 0.00 C ATOM 291 C GLY A 434 5.464 -8.827 2.335 1.00 0.00 C ATOM 292 O GLY A 434 5.027 -9.450 1.389 1.00 0.00 O ATOM 0 H GLY A 434 7.447 -7.489 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 434 7.603 -8.595 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 434 7.120 -10.106 2.876 1.00 0.00 H new ATOM 296 N ALA A 435 4.740 -7.953 2.980 1.00 0.00 N ATOM 297 CA ALA A 435 3.332 -7.682 2.579 1.00 0.00 C ATOM 298 C ALA A 435 3.270 -7.191 1.139 1.00 0.00 C ATOM 299 O ALA A 435 4.275 -6.949 0.505 1.00 0.00 O ATOM 300 CB ALA A 435 2.737 -6.616 3.506 1.00 0.00 C ATOM 0 H ALA A 435 5.070 -7.409 3.777 1.00 0.00 H new ATOM 0 HA ALA A 435 2.760 -8.607 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 435 1.706 -6.415 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 435 2.760 -6.975 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.321 -5.699 3.428 1.00 0.00 H new ATOM 306 N THR A 436 2.074 -7.050 0.628 1.00 0.00 N ATOM 307 CA THR A 436 1.880 -6.581 -0.775 1.00 0.00 C ATOM 308 C THR A 436 0.908 -5.403 -0.799 1.00 0.00 C ATOM 309 O THR A 436 0.301 -5.058 0.194 1.00 0.00 O ATOM 310 CB THR A 436 1.309 -7.724 -1.618 1.00 0.00 C ATOM 311 OG1 THR A 436 -0.024 -7.994 -1.211 1.00 0.00 O ATOM 312 CG2 THR A 436 2.165 -8.980 -1.442 1.00 0.00 C ATOM 0 H THR A 436 1.210 -7.244 1.134 1.00 0.00 H new ATOM 0 HA THR A 436 2.840 -6.265 -1.183 1.00 0.00 H new ATOM 0 HB THR A 436 1.316 -7.433 -2.668 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.390 -8.725 -1.752 1.00 0.00 H new ATOM 0 HG21 THR A 436 1.752 -9.789 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.186 -8.773 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.167 -9.275 -0.393 1.00 0.00 H new ATOM 320 N ALA A 437 0.770 -4.789 -1.942 1.00 0.00 N ATOM 321 CA ALA A 437 -0.151 -3.627 -2.075 1.00 0.00 C ATOM 322 C ALA A 437 -1.568 -4.071 -1.718 1.00 0.00 C ATOM 323 O ALA A 437 -2.384 -3.283 -1.285 1.00 0.00 O ATOM 324 CB ALA A 437 -0.116 -3.114 -3.519 1.00 0.00 C ATOM 0 H ALA A 437 1.262 -5.046 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 437 0.160 -2.827 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -0.790 -2.263 -3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.899 -2.805 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.432 -3.908 -4.195 1.00 0.00 H new ATOM 330 N LEU A 438 -1.853 -5.332 -1.899 1.00 0.00 N ATOM 331 CA LEU A 438 -3.206 -5.860 -1.573 1.00 0.00 C ATOM 332 C LEU A 438 -3.455 -5.701 -0.078 1.00 0.00 C ATOM 333 O LEU A 438 -4.528 -5.318 0.342 1.00 0.00 O ATOM 334 CB LEU A 438 -3.270 -7.354 -1.935 1.00 0.00 C ATOM 335 CG LEU A 438 -3.271 -7.526 -3.461 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.011 -8.996 -3.812 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.633 -7.100 -4.040 1.00 0.00 C ATOM 0 H LEU A 438 -1.199 -6.025 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 438 -3.960 -5.311 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.418 -7.878 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.169 -7.801 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.487 -6.900 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.012 -9.117 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.043 -9.299 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -3.793 -9.618 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.623 -7.226 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.421 -7.718 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.820 -6.054 -3.798 1.00 0.00 H new ATOM 349 N ASP A 439 -2.464 -5.999 0.714 1.00 0.00 N ATOM 350 CA ASP A 439 -2.605 -5.890 2.193 1.00 0.00 C ATOM 351 C ASP A 439 -2.890 -4.437 2.579 1.00 0.00 C ATOM 352 O ASP A 439 -3.716 -4.167 3.427 1.00 0.00 O ATOM 353 CB ASP A 439 -1.299 -6.341 2.859 1.00 0.00 C ATOM 354 CG ASP A 439 -1.162 -7.861 2.745 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.143 -8.502 2.412 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.075 -8.358 2.995 1.00 0.00 O ATOM 0 H ASP A 439 -1.549 -6.318 0.395 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.429 -6.521 2.525 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -0.449 -5.853 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.292 -6.043 3.907 1.00 0.00 H new ATOM 361 N PHE A 440 -2.211 -3.509 1.964 1.00 0.00 N ATOM 362 CA PHE A 440 -2.434 -2.073 2.283 1.00 0.00 C ATOM 363 C PHE A 440 -3.878 -1.699 1.944 1.00 0.00 C ATOM 364 O PHE A 440 -4.536 -0.998 2.686 1.00 0.00 O ATOM 365 CB PHE A 440 -1.469 -1.203 1.468 1.00 0.00 C ATOM 366 CG PHE A 440 -1.765 0.259 1.735 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.596 0.781 3.024 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.213 1.089 0.699 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.873 2.130 3.275 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.490 2.436 0.951 1.00 0.00 C ATOM 371 CZ PHE A 440 -2.320 2.957 2.239 1.00 0.00 C ATOM 0 H PHE A 440 -1.506 -3.686 1.249 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.253 -1.905 3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.438 -1.432 1.738 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.576 -1.419 0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -1.252 0.143 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.344 0.688 -0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.742 2.532 4.269 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.835 3.075 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.534 3.998 2.433 1.00 0.00 H new ATOM 381 N ALA A 441 -4.362 -2.154 0.821 1.00 0.00 N ATOM 382 CA ALA A 441 -5.755 -1.830 0.408 1.00 0.00 C ATOM 383 C ALA A 441 -6.724 -2.352 1.468 1.00 0.00 C ATOM 384 O ALA A 441 -7.678 -1.692 1.830 1.00 0.00 O ATOM 385 CB ALA A 441 -6.059 -2.515 -0.932 1.00 0.00 C ATOM 0 H ALA A 441 -3.846 -2.742 0.166 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.866 -0.751 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.079 -2.280 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.362 -2.158 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -5.953 -3.594 -0.821 1.00 0.00 H new ATOM 391 N TYR A 442 -6.476 -3.532 1.959 1.00 0.00 N ATOM 392 CA TYR A 442 -7.359 -4.126 2.998 1.00 0.00 C ATOM 393 C TYR A 442 -7.253 -3.298 4.277 1.00 0.00 C ATOM 394 O TYR A 442 -8.216 -3.122 4.996 1.00 0.00 O ATOM 395 CB TYR A 442 -6.907 -5.570 3.287 1.00 0.00 C ATOM 396 CG TYR A 442 -7.419 -6.499 2.204 1.00 0.00 C ATOM 397 CD1 TYR A 442 -8.799 -6.672 2.028 1.00 0.00 C ATOM 398 CD2 TYR A 442 -6.520 -7.189 1.381 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.276 -7.527 1.029 1.00 0.00 C ATOM 400 CE2 TYR A 442 -6.998 -8.046 0.384 1.00 0.00 C ATOM 401 CZ TYR A 442 -8.375 -8.215 0.207 1.00 0.00 C ATOM 402 OH TYR A 442 -8.847 -9.060 -0.776 1.00 0.00 O ATOM 0 H TYR A 442 -5.689 -4.118 1.681 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.391 -4.130 2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -5.819 -5.617 3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.282 -5.890 4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -9.494 -6.145 2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -5.456 -7.059 1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.339 -7.657 0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -6.303 -8.577 -0.249 1.00 0.00 H new ATOM 0 HH TYR A 442 -8.091 -9.457 -1.256 1.00 0.00 H new ATOM 412 N SER A 443 -6.077 -2.810 4.564 1.00 0.00 N ATOM 413 CA SER A 443 -5.863 -2.006 5.800 1.00 0.00 C ATOM 414 C SER A 443 -6.780 -0.783 5.784 1.00 0.00 C ATOM 415 O SER A 443 -7.370 -0.431 6.785 1.00 0.00 O ATOM 416 CB SER A 443 -4.404 -1.537 5.850 1.00 0.00 C ATOM 417 OG SER A 443 -3.544 -2.663 5.755 1.00 0.00 O ATOM 0 H SER A 443 -5.245 -2.936 3.987 1.00 0.00 H new ATOM 0 HA SER A 443 -6.088 -2.618 6.673 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.205 -0.843 5.033 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.215 -0.998 6.779 1.00 0.00 H new ATOM 0 HG SER A 443 -3.574 -3.021 4.843 1.00 0.00 H new ATOM 423 N LEU A 444 -6.890 -0.132 4.657 1.00 0.00 N ATOM 424 CA LEU A 444 -7.754 1.079 4.563 1.00 0.00 C ATOM 425 C LEU A 444 -9.217 0.685 4.743 1.00 0.00 C ATOM 426 O LEU A 444 -9.878 1.143 5.652 1.00 0.00 O ATOM 427 CB LEU A 444 -7.577 1.723 3.180 1.00 0.00 C ATOM 428 CG LEU A 444 -6.096 2.042 2.942 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.919 2.652 1.547 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.604 3.038 4.004 1.00 0.00 C ATOM 0 H LEU A 444 -6.415 -0.390 3.792 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.468 1.785 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.942 1.049 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -8.170 2.635 3.115 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.514 1.123 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.866 2.878 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.262 1.943 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.503 3.569 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.551 3.263 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -6.187 3.957 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.725 2.602 4.996 1.00 0.00 H new ATOM 442 N HIS A 445 -9.717 -0.162 3.887 1.00 0.00 N ATOM 443 CA HIS A 445 -11.137 -0.596 3.995 1.00 0.00 C ATOM 444 C HIS A 445 -11.332 -1.921 3.260 1.00 0.00 C ATOM 445 O HIS A 445 -10.395 -2.518 2.772 1.00 0.00 O ATOM 446 CB HIS A 445 -12.050 0.468 3.387 1.00 0.00 C ATOM 447 CG HIS A 445 -11.872 1.758 4.136 1.00 0.00 C ATOM 448 ND1 HIS A 445 -12.373 1.939 5.416 1.00 0.00 N ATOM 449 CD2 HIS A 445 -11.243 2.933 3.809 1.00 0.00 C ATOM 450 CE1 HIS A 445 -12.038 3.181 5.809 1.00 0.00 C ATOM 451 NE2 HIS A 445 -11.348 3.831 4.867 1.00 0.00 N ATOM 0 H HIS A 445 -9.199 -0.575 3.112 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.390 -0.729 5.047 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.812 0.610 2.333 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -13.090 0.144 3.438 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -10.742 3.131 2.873 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -12.295 3.602 6.770 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -10.978 4.780 4.913 1.00 0.00 H new ATOM 459 N SER A 446 -12.549 -2.393 3.198 1.00 0.00 N ATOM 460 CA SER A 446 -12.831 -3.691 2.515 1.00 0.00 C ATOM 461 C SER A 446 -13.413 -3.437 1.124 1.00 0.00 C ATOM 462 O SER A 446 -12.847 -3.833 0.126 1.00 0.00 O ATOM 463 CB SER A 446 -13.847 -4.486 3.341 1.00 0.00 C ATOM 464 OG SER A 446 -14.088 -5.737 2.706 1.00 0.00 O ATOM 0 H SER A 446 -13.367 -1.931 3.595 1.00 0.00 H new ATOM 0 HA SER A 446 -11.901 -4.252 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 446 -13.469 -4.644 4.351 1.00 0.00 H new ATOM 0 HB3 SER A 446 -14.777 -3.926 3.433 1.00 0.00 H new ATOM 0 HG SER A 446 -14.736 -6.251 3.231 1.00 0.00 H new ATOM 470 N ASP A 447 -14.551 -2.797 1.061 1.00 0.00 N ATOM 471 CA ASP A 447 -15.199 -2.530 -0.255 1.00 0.00 C ATOM 472 C ASP A 447 -14.298 -1.637 -1.108 1.00 0.00 C ATOM 473 O ASP A 447 -14.120 -1.871 -2.287 1.00 0.00 O ATOM 474 CB ASP A 447 -16.544 -1.820 -0.029 1.00 0.00 C ATOM 475 CG ASP A 447 -17.565 -2.810 0.542 1.00 0.00 C ATOM 476 OD1 ASP A 447 -17.305 -4.000 0.483 1.00 0.00 O ATOM 477 OD2 ASP A 447 -18.589 -2.358 1.028 1.00 0.00 O ATOM 0 H ASP A 447 -15.062 -2.446 1.871 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.362 -3.477 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -16.413 -0.983 0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -16.910 -1.408 -0.969 1.00 0.00 H new ATOM 482 N LEU A 448 -13.754 -0.606 -0.523 1.00 0.00 N ATOM 483 CA LEU A 448 -12.884 0.319 -1.293 1.00 0.00 C ATOM 484 C LEU A 448 -11.652 -0.443 -1.788 1.00 0.00 C ATOM 485 O LEU A 448 -11.244 -0.317 -2.926 1.00 0.00 O ATOM 486 CB LEU A 448 -12.442 1.479 -0.371 1.00 0.00 C ATOM 487 CG LEU A 448 -12.203 2.755 -1.199 1.00 0.00 C ATOM 488 CD1 LEU A 448 -11.219 2.457 -2.340 1.00 0.00 C ATOM 489 CD2 LEU A 448 -13.545 3.259 -1.783 1.00 0.00 C ATOM 0 H LEU A 448 -13.877 -0.365 0.461 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.429 0.719 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -13.206 1.664 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.530 1.205 0.159 1.00 0.00 H new ATOM 0 HG LEU A 448 -11.781 3.526 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -11.053 3.363 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -10.272 2.115 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.633 1.681 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -13.371 4.162 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -13.975 2.489 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -14.235 3.481 -0.969 1.00 0.00 H new ATOM 501 N GLY A 449 -11.059 -1.219 -0.928 1.00 0.00 N ATOM 502 CA GLY A 449 -9.846 -1.994 -1.308 1.00 0.00 C ATOM 503 C GLY A 449 -10.218 -3.060 -2.339 1.00 0.00 C ATOM 504 O GLY A 449 -9.453 -3.364 -3.232 1.00 0.00 O ATOM 0 H GLY A 449 -11.367 -1.352 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -9.089 -1.325 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.411 -2.464 -0.426 1.00 0.00 H new ATOM 508 N ASP A 450 -11.382 -3.633 -2.204 1.00 0.00 N ATOM 509 CA ASP A 450 -11.830 -4.692 -3.152 1.00 0.00 C ATOM 510 C ASP A 450 -11.996 -4.088 -4.547 1.00 0.00 C ATOM 511 O ASP A 450 -11.757 -4.737 -5.545 1.00 0.00 O ATOM 512 CB ASP A 450 -13.175 -5.258 -2.676 1.00 0.00 C ATOM 513 CG ASP A 450 -13.679 -6.296 -3.682 1.00 0.00 C ATOM 514 OD1 ASP A 450 -12.907 -6.681 -4.543 1.00 0.00 O ATOM 515 OD2 ASP A 450 -14.830 -6.690 -3.571 1.00 0.00 O ATOM 0 H ASP A 450 -12.051 -3.409 -1.467 1.00 0.00 H new ATOM 0 HA ASP A 450 -11.089 -5.490 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -13.062 -5.715 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.903 -4.454 -2.572 1.00 0.00 H new ATOM 520 N HIS A 451 -12.417 -2.854 -4.612 1.00 0.00 N ATOM 521 CA HIS A 451 -12.623 -2.185 -5.928 1.00 0.00 C ATOM 522 C HIS A 451 -11.296 -1.594 -6.410 1.00 0.00 C ATOM 523 O HIS A 451 -11.262 -0.758 -7.292 1.00 0.00 O ATOM 524 CB HIS A 451 -13.667 -1.070 -5.769 1.00 0.00 C ATOM 525 CG HIS A 451 -15.001 -1.681 -5.427 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.865 -1.107 -4.506 1.00 0.00 N ATOM 527 CD2 HIS A 451 -15.632 -2.815 -5.875 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.956 -1.893 -4.429 1.00 0.00 C ATOM 529 NE2 HIS A 451 -16.866 -2.947 -5.242 1.00 0.00 N ATOM 0 H HIS A 451 -12.629 -2.275 -3.800 1.00 0.00 H new ATOM 0 HA HIS A 451 -12.978 -2.909 -6.661 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -13.360 -0.378 -4.985 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.744 -0.494 -6.691 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -15.232 -3.501 -6.607 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.801 -1.694 -3.787 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -17.553 -3.690 -5.372 1.00 0.00 H new ATOM 537 N CYS A 452 -10.209 -2.028 -5.831 1.00 0.00 N ATOM 538 CA CYS A 452 -8.875 -1.506 -6.240 1.00 0.00 C ATOM 539 C CYS A 452 -8.501 -2.072 -7.608 1.00 0.00 C ATOM 540 O CYS A 452 -8.341 -3.263 -7.778 1.00 0.00 O ATOM 541 CB CYS A 452 -7.829 -1.921 -5.201 1.00 0.00 C ATOM 542 SG CYS A 452 -6.247 -1.134 -5.594 1.00 0.00 S ATOM 0 H CYS A 452 -10.189 -2.726 -5.088 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.911 -0.418 -6.303 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -8.155 -1.628 -4.203 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -7.717 -3.005 -5.195 1.00 0.00 H new ATOM 0 HG CYS A 452 -6.442 -0.164 -6.438 1.00 0.00 H new ATOM 548 N ILE A 453 -8.365 -1.211 -8.583 1.00 0.00 N ATOM 549 CA ILE A 453 -7.998 -1.660 -9.961 1.00 0.00 C ATOM 550 C ILE A 453 -6.518 -1.372 -10.209 1.00 0.00 C ATOM 551 O ILE A 453 -5.992 -1.664 -11.263 1.00 0.00 O ATOM 552 CB ILE A 453 -8.859 -0.916 -10.992 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.677 0.601 -10.846 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.331 -1.276 -10.784 1.00 0.00 C ATOM 555 CD1 ILE A 453 -9.426 1.317 -11.974 1.00 0.00 C ATOM 0 H ILE A 453 -8.494 -0.204 -8.483 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.177 -2.731 -10.058 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.545 -1.214 -11.993 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -9.054 0.932 -9.878 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.618 0.856 -10.880 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.942 -0.748 -11.516 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.464 -2.351 -10.909 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.638 -0.987 -9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -9.297 2.394 -11.870 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -9.028 0.995 -12.936 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -10.487 1.072 -11.919 1.00 0.00 H new ATOM 567 N GLY A 454 -5.846 -0.802 -9.243 1.00 0.00 N ATOM 568 CA GLY A 454 -4.398 -0.493 -9.422 1.00 0.00 C ATOM 569 C GLY A 454 -3.785 0.008 -8.113 1.00 0.00 C ATOM 570 O GLY A 454 -4.466 0.271 -7.143 1.00 0.00 O ATOM 0 H GLY A 454 -6.238 -0.538 -8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.870 -1.385 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.276 0.262 -10.199 1.00 0.00 H new ATOM 574 N ALA A 455 -2.483 0.133 -8.102 1.00 0.00 N ATOM 575 CA ALA A 455 -1.763 0.613 -6.889 1.00 0.00 C ATOM 576 C ALA A 455 -0.505 1.371 -7.307 1.00 0.00 C ATOM 577 O ALA A 455 0.095 1.092 -8.326 1.00 0.00 O ATOM 578 CB ALA A 455 -1.373 -0.581 -6.018 1.00 0.00 C ATOM 0 H ALA A 455 -1.880 -0.081 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.415 1.277 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.846 -0.228 -5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -2.271 -1.120 -5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.723 -1.248 -6.585 1.00 0.00 H new ATOM 584 N LYS A 456 -0.107 2.334 -6.519 1.00 0.00 N ATOM 585 CA LYS A 456 1.111 3.137 -6.844 1.00 0.00 C ATOM 586 C LYS A 456 1.931 3.388 -5.584 1.00 0.00 C ATOM 587 O LYS A 456 1.421 3.811 -4.565 1.00 0.00 O ATOM 588 CB LYS A 456 0.688 4.470 -7.461 1.00 0.00 C ATOM 589 CG LYS A 456 1.930 5.325 -7.732 1.00 0.00 C ATOM 590 CD LYS A 456 1.556 6.513 -8.626 1.00 0.00 C ATOM 591 CE LYS A 456 0.678 7.493 -7.849 1.00 0.00 C ATOM 592 NZ LYS A 456 0.601 8.785 -8.585 1.00 0.00 N ATOM 0 H LYS A 456 -0.578 2.602 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 456 1.725 2.583 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 456 0.143 4.297 -8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 456 0.011 4.996 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 456 2.349 5.683 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 456 2.700 4.723 -8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 456 2.458 7.016 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 456 1.027 6.161 -9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 456 -0.321 7.077 -7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 456 1.089 7.654 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 0.003 9.451 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 1.556 9.183 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.190 8.624 -9.527 1.00 0.00 H new ATOM 606 N VAL A 457 3.208 3.123 -5.664 1.00 0.00 N ATOM 607 CA VAL A 457 4.120 3.329 -4.500 1.00 0.00 C ATOM 608 C VAL A 457 5.209 4.337 -4.871 1.00 0.00 C ATOM 609 O VAL A 457 5.847 4.237 -5.901 1.00 0.00 O ATOM 610 CB VAL A 457 4.764 1.993 -4.114 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.702 2.207 -2.924 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.668 0.996 -3.724 1.00 0.00 C ATOM 0 H VAL A 457 3.666 2.766 -6.503 1.00 0.00 H new ATOM 0 HA VAL A 457 3.548 3.714 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 457 5.330 1.602 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.161 1.258 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.479 2.920 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.134 2.595 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 457 4.123 0.044 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 457 3.105 1.387 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.995 0.846 -4.569 1.00 0.00 H new ATOM 622 N ASN A 458 5.412 5.305 -4.022 1.00 0.00 N ATOM 623 CA ASN A 458 6.446 6.349 -4.269 1.00 0.00 C ATOM 624 C ASN A 458 6.149 7.062 -5.589 1.00 0.00 C ATOM 625 O ASN A 458 7.039 7.347 -6.365 1.00 0.00 O ATOM 626 CB ASN A 458 7.832 5.702 -4.304 1.00 0.00 C ATOM 627 CG ASN A 458 8.912 6.786 -4.214 1.00 0.00 C ATOM 628 OD1 ASN A 458 9.488 7.166 -5.214 1.00 0.00 O ATOM 629 ND2 ASN A 458 9.215 7.302 -3.052 1.00 0.00 N ATOM 0 H ASN A 458 4.895 5.419 -3.150 1.00 0.00 H new ATOM 0 HA ASN A 458 6.426 7.084 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.937 5.001 -3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 458 7.953 5.130 -5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 458 9.934 8.022 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 458 8.732 6.984 -2.211 1.00 0.00 H new ATOM 636 N HIS A 459 4.893 7.350 -5.828 1.00 0.00 N ATOM 637 CA HIS A 459 4.483 8.051 -7.073 1.00 0.00 C ATOM 638 C HIS A 459 4.955 7.249 -8.281 1.00 0.00 C ATOM 639 O HIS A 459 4.931 7.724 -9.397 1.00 0.00 O ATOM 640 CB HIS A 459 5.086 9.456 -7.102 1.00 0.00 C ATOM 641 CG HIS A 459 4.521 10.263 -5.965 1.00 0.00 C ATOM 642 ND1 HIS A 459 3.222 10.749 -5.981 1.00 0.00 N ATOM 643 CD2 HIS A 459 5.059 10.673 -4.770 1.00 0.00 C ATOM 644 CE1 HIS A 459 3.025 11.418 -4.830 1.00 0.00 C ATOM 645 NE2 HIS A 459 4.113 11.404 -4.056 1.00 0.00 N ATOM 0 H HIS A 459 4.124 7.122 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 459 3.397 8.138 -7.102 1.00 0.00 H new ATOM 0 HB2 HIS A 459 6.171 9.400 -7.019 1.00 0.00 H new ATOM 0 HB3 HIS A 459 4.863 9.940 -8.053 1.00 0.00 H new ATOM 0 HD2 HIS A 459 6.063 10.461 -4.435 1.00 0.00 H new ATOM 0 HE1 HIS A 459 2.099 11.907 -4.565 1.00 0.00 H new ATOM 0 HE2 HIS A 459 4.227 11.836 -3.139 1.00 0.00 H new ATOM 653 N LYS A 460 5.367 6.028 -8.055 1.00 0.00 N ATOM 654 CA LYS A 460 5.838 5.156 -9.174 1.00 0.00 C ATOM 655 C LYS A 460 4.870 3.993 -9.365 1.00 0.00 C ATOM 656 O LYS A 460 4.697 3.154 -8.504 1.00 0.00 O ATOM 657 CB LYS A 460 7.228 4.617 -8.840 1.00 0.00 C ATOM 658 CG LYS A 460 7.746 3.785 -10.016 1.00 0.00 C ATOM 659 CD LYS A 460 9.177 3.330 -9.725 1.00 0.00 C ATOM 660 CE LYS A 460 9.716 2.526 -10.911 1.00 0.00 C ATOM 661 NZ LYS A 460 8.968 1.242 -11.025 1.00 0.00 N ATOM 0 H LYS A 460 5.398 5.593 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 460 5.882 5.738 -10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.911 5.442 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.186 4.006 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 460 7.103 2.920 -10.175 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.719 4.374 -10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.813 4.196 -9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.198 2.721 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 460 9.613 3.102 -11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 460 10.779 2.328 -10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 9.502 0.581 -11.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 8.843 0.828 -10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 8.036 1.420 -11.451 1.00 0.00 H new ATOM 675 N LEU A 461 4.229 3.960 -10.498 1.00 0.00 N ATOM 676 CA LEU A 461 3.253 2.881 -10.789 1.00 0.00 C ATOM 677 C LEU A 461 3.884 1.517 -10.535 1.00 0.00 C ATOM 678 O LEU A 461 4.991 1.242 -10.950 1.00 0.00 O ATOM 679 CB LEU A 461 2.803 2.982 -12.255 1.00 0.00 C ATOM 680 CG LEU A 461 1.856 1.820 -12.596 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.662 1.820 -11.627 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.348 1.978 -14.031 1.00 0.00 C ATOM 0 H LEU A 461 4.343 4.646 -11.244 1.00 0.00 H new ATOM 0 HA LEU A 461 2.389 2.994 -10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.300 3.934 -12.425 1.00 0.00 H new ATOM 0 HB3 LEU A 461 3.672 2.959 -12.913 1.00 0.00 H new ATOM 0 HG LEU A 461 2.396 0.878 -12.502 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -0.006 0.995 -11.873 1.00 0.00 H new ATOM 0 HD12 LEU A 461 1.023 1.703 -10.605 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.122 2.763 -11.715 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.677 1.154 -14.272 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.812 2.922 -14.125 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.193 1.971 -14.719 1.00 0.00 H new ATOM 694 N VAL A 462 3.164 0.659 -9.857 1.00 0.00 N ATOM 695 CA VAL A 462 3.684 -0.706 -9.563 1.00 0.00 C ATOM 696 C VAL A 462 2.522 -1.705 -9.516 1.00 0.00 C ATOM 697 O VAL A 462 1.400 -1.352 -9.198 1.00 0.00 O ATOM 698 CB VAL A 462 4.410 -0.699 -8.207 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.817 -0.134 -8.389 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.641 0.164 -7.202 1.00 0.00 C ATOM 0 H VAL A 462 2.231 0.850 -9.493 1.00 0.00 H new ATOM 0 HA VAL A 462 4.381 -1.001 -10.348 1.00 0.00 H new ATOM 0 HB VAL A 462 4.468 -1.719 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.334 -0.128 -7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.370 -0.754 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.753 0.884 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 462 4.164 0.162 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.573 1.185 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.638 -0.240 -7.068 1.00 0.00 H new ATOM 710 N PRO A 463 2.794 -2.954 -9.824 1.00 0.00 N ATOM 711 CA PRO A 463 1.758 -4.029 -9.813 1.00 0.00 C ATOM 712 C PRO A 463 1.242 -4.336 -8.405 1.00 0.00 C ATOM 713 O PRO A 463 1.857 -3.999 -7.414 1.00 0.00 O ATOM 714 CB PRO A 463 2.480 -5.248 -10.414 1.00 0.00 C ATOM 715 CG PRO A 463 3.936 -4.993 -10.185 1.00 0.00 C ATOM 716 CD PRO A 463 4.114 -3.477 -10.225 1.00 0.00 C ATOM 0 HA PRO A 463 0.870 -3.736 -10.374 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.161 -6.172 -9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.261 -5.351 -11.477 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.256 -5.397 -9.225 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.541 -5.476 -10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 463 4.898 -3.149 -9.543 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.394 -3.134 -11.221 1.00 0.00 H new ATOM 724 N LEU A 464 0.106 -4.969 -8.333 1.00 0.00 N ATOM 725 CA LEU A 464 -0.501 -5.313 -7.018 1.00 0.00 C ATOM 726 C LEU A 464 0.423 -6.270 -6.260 1.00 0.00 C ATOM 727 O LEU A 464 0.553 -6.191 -5.055 1.00 0.00 O ATOM 728 CB LEU A 464 -1.861 -5.991 -7.256 1.00 0.00 C ATOM 729 CG LEU A 464 -2.927 -4.925 -7.532 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.566 -4.149 -8.800 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.290 -5.599 -7.719 1.00 0.00 C ATOM 0 H LEU A 464 -0.437 -5.268 -9.143 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.639 -4.407 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.793 -6.678 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.141 -6.582 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 464 -2.973 -4.237 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.327 -3.392 -8.992 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.598 -3.665 -8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.516 -4.836 -9.645 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -5.047 -4.840 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.242 -6.290 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.552 -6.147 -6.814 1.00 0.00 H new ATOM 743 N SER A 465 1.040 -7.182 -6.961 1.00 0.00 N ATOM 744 CA SER A 465 1.940 -8.171 -6.300 1.00 0.00 C ATOM 745 C SER A 465 3.257 -7.493 -5.917 1.00 0.00 C ATOM 746 O SER A 465 4.194 -8.137 -5.490 1.00 0.00 O ATOM 747 CB SER A 465 2.218 -9.322 -7.272 1.00 0.00 C ATOM 748 OG SER A 465 0.999 -9.998 -7.558 1.00 0.00 O ATOM 0 H SER A 465 0.958 -7.285 -7.972 1.00 0.00 H new ATOM 0 HA SER A 465 1.462 -8.557 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 465 2.659 -8.938 -8.192 1.00 0.00 H new ATOM 0 HB3 SER A 465 2.939 -10.015 -6.837 1.00 0.00 H new ATOM 0 HG SER A 465 1.172 -10.734 -8.181 1.00 0.00 H new ATOM 754 N TYR A 466 3.327 -6.200 -6.073 1.00 0.00 N ATOM 755 CA TYR A 466 4.571 -5.459 -5.724 1.00 0.00 C ATOM 756 C TYR A 466 4.772 -5.450 -4.209 1.00 0.00 C ATOM 757 O TYR A 466 3.859 -5.200 -3.448 1.00 0.00 O ATOM 758 CB TYR A 466 4.472 -4.022 -6.245 1.00 0.00 C ATOM 759 CG TYR A 466 5.722 -3.262 -5.867 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.903 -3.457 -6.592 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.701 -2.366 -4.791 1.00 0.00 C ATOM 762 CE1 TYR A 466 8.062 -2.753 -6.244 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.859 -1.664 -4.442 1.00 0.00 C ATOM 764 CZ TYR A 466 8.041 -1.858 -5.169 1.00 0.00 C ATOM 765 OH TYR A 466 9.183 -1.166 -4.823 1.00 0.00 O ATOM 0 H TYR A 466 2.568 -5.620 -6.431 1.00 0.00 H new ATOM 0 HA TYR A 466 5.424 -5.955 -6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.348 -4.024 -7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.594 -3.531 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.920 -4.150 -7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.790 -2.217 -4.230 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.973 -2.901 -6.806 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.842 -0.973 -3.612 1.00 0.00 H new ATOM 0 HH TYR A 466 8.995 -0.587 -4.055 1.00 0.00 H new ATOM 775 N VAL A 467 5.975 -5.731 -3.782 1.00 0.00 N ATOM 776 CA VAL A 467 6.285 -5.757 -2.327 1.00 0.00 C ATOM 777 C VAL A 467 6.460 -4.331 -1.808 1.00 0.00 C ATOM 778 O VAL A 467 7.161 -3.526 -2.385 1.00 0.00 O ATOM 779 CB VAL A 467 7.569 -6.560 -2.091 1.00 0.00 C ATOM 780 CG1 VAL A 467 7.960 -6.477 -0.613 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.330 -8.026 -2.469 1.00 0.00 C ATOM 0 H VAL A 467 6.765 -5.946 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 467 5.462 -6.230 -1.791 1.00 0.00 H new ATOM 0 HB VAL A 467 8.371 -6.149 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 467 8.873 -7.048 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 467 8.128 -5.435 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.157 -6.888 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.242 -8.598 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.528 -8.434 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.050 -8.090 -3.520 1.00 0.00 H new ATOM 791 N LEU A 468 5.802 -4.028 -0.723 1.00 0.00 N ATOM 792 CA LEU A 468 5.883 -2.662 -0.135 1.00 0.00 C ATOM 793 C LEU A 468 7.219 -2.457 0.562 1.00 0.00 C ATOM 794 O LEU A 468 7.785 -3.366 1.133 1.00 0.00 O ATOM 795 CB LEU A 468 4.745 -2.476 0.874 1.00 0.00 C ATOM 796 CG LEU A 468 3.398 -2.738 0.188 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.268 -2.599 1.213 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.188 -1.726 -0.950 1.00 0.00 C ATOM 0 H LEU A 468 5.204 -4.678 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 468 5.793 -1.929 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.875 -3.159 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.767 -1.464 1.279 1.00 0.00 H new ATOM 0 HG LEU A 468 3.394 -3.747 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.311 -2.785 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.414 -3.322 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.275 -1.591 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.230 -1.916 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.195 -0.715 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.990 -1.828 -1.681 1.00 0.00 H new ATOM 810 N ASN A 469 7.716 -1.247 0.513 1.00 0.00 N ATOM 811 CA ASN A 469 9.021 -0.917 1.160 1.00 0.00 C ATOM 812 C ASN A 469 8.826 0.184 2.199 1.00 0.00 C ATOM 813 O ASN A 469 8.018 1.079 2.042 1.00 0.00 O ATOM 814 CB ASN A 469 10.010 -0.441 0.096 1.00 0.00 C ATOM 815 CG ASN A 469 10.452 -1.628 -0.759 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.297 -2.768 -0.362 1.00 0.00 O ATOM 817 ND2 ASN A 469 11.000 -1.409 -1.921 1.00 0.00 N ATOM 0 H ASN A 469 7.265 -0.462 0.044 1.00 0.00 H new ATOM 0 HA ASN A 469 9.410 -1.808 1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.546 0.320 -0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.876 0.021 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 469 11.300 -2.194 -2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 469 11.129 -0.453 -2.252 1.00 0.00 H new ATOM 824 N SER A 470 9.567 0.099 3.266 1.00 0.00 N ATOM 825 CA SER A 470 9.465 1.100 4.363 1.00 0.00 C ATOM 826 C SER A 470 9.920 2.482 3.892 1.00 0.00 C ATOM 827 O SER A 470 10.885 2.623 3.170 1.00 0.00 O ATOM 828 CB SER A 470 10.344 0.649 5.531 1.00 0.00 C ATOM 829 OG SER A 470 10.324 1.646 6.546 1.00 0.00 O ATOM 0 H SER A 470 10.254 -0.638 3.428 1.00 0.00 H new ATOM 0 HA SER A 470 8.423 1.170 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 470 9.982 -0.299 5.929 1.00 0.00 H new ATOM 0 HB3 SER A 470 11.365 0.482 5.189 1.00 0.00 H new ATOM 0 HG SER A 470 10.885 1.360 7.297 1.00 0.00 H new ATOM 835 N GLY A 471 9.224 3.499 4.333 1.00 0.00 N ATOM 836 CA GLY A 471 9.583 4.902 3.967 1.00 0.00 C ATOM 837 C GLY A 471 8.789 5.340 2.736 1.00 0.00 C ATOM 838 O GLY A 471 8.562 6.515 2.524 1.00 0.00 O ATOM 0 H GLY A 471 8.409 3.414 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.373 5.570 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.652 4.972 3.765 1.00 0.00 H new ATOM 842 N ASP A 472 8.384 4.407 1.921 1.00 0.00 N ATOM 843 CA ASP A 472 7.625 4.753 0.686 1.00 0.00 C ATOM 844 C ASP A 472 6.164 5.061 1.011 1.00 0.00 C ATOM 845 O ASP A 472 5.662 4.731 2.064 1.00 0.00 O ATOM 846 CB ASP A 472 7.690 3.582 -0.305 1.00 0.00 C ATOM 847 CG ASP A 472 9.099 3.478 -0.902 1.00 0.00 C ATOM 848 OD1 ASP A 472 9.861 4.418 -0.748 1.00 0.00 O ATOM 849 OD2 ASP A 472 9.387 2.458 -1.507 1.00 0.00 O ATOM 0 H ASP A 472 8.548 3.410 2.059 1.00 0.00 H new ATOM 0 HA ASP A 472 8.077 5.640 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.431 2.652 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 472 6.959 3.727 -1.100 1.00 0.00 H new ATOM 854 N GLN A 473 5.490 5.696 0.086 1.00 0.00 N ATOM 855 CA GLN A 473 4.055 6.053 0.282 1.00 0.00 C ATOM 856 C GLN A 473 3.199 5.184 -0.631 1.00 0.00 C ATOM 857 O GLN A 473 3.351 5.183 -1.835 1.00 0.00 O ATOM 858 CB GLN A 473 3.845 7.532 -0.056 1.00 0.00 C ATOM 859 CG GLN A 473 2.373 7.891 0.157 1.00 0.00 C ATOM 860 CD GLN A 473 2.174 9.397 -0.017 1.00 0.00 C ATOM 861 OE1 GLN A 473 3.114 10.119 -0.290 1.00 0.00 O ATOM 862 NE2 GLN A 473 0.981 9.906 0.133 1.00 0.00 N ATOM 0 H GLN A 473 5.881 5.986 -0.810 1.00 0.00 H new ATOM 0 HA GLN A 473 3.768 5.883 1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.479 8.155 0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.134 7.726 -1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.751 7.349 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.056 7.586 1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 473 0.193 9.300 0.362 1.00 0.00 H new ATOM 0 HE22 GLN A 473 0.837 10.910 0.021 1.00 0.00 H new ATOM 871 N VAL A 474 2.309 4.431 -0.046 1.00 0.00 N ATOM 872 CA VAL A 474 1.431 3.526 -0.838 1.00 0.00 C ATOM 873 C VAL A 474 0.118 4.218 -1.182 1.00 0.00 C ATOM 874 O VAL A 474 -0.537 4.803 -0.343 1.00 0.00 O ATOM 875 CB VAL A 474 1.146 2.258 -0.030 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.427 1.247 -0.924 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.467 1.656 0.457 1.00 0.00 C ATOM 0 H VAL A 474 2.151 4.405 0.961 1.00 0.00 H new ATOM 0 HA VAL A 474 1.941 3.266 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 474 0.521 2.502 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.220 0.340 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.511 1.676 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 474 1.058 1.003 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.265 0.753 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 474 3.092 1.407 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 474 2.986 2.379 1.086 1.00 0.00 H new ATOM 887 N GLU A 475 -0.261 4.136 -2.427 1.00 0.00 N ATOM 888 CA GLU A 475 -1.531 4.759 -2.894 1.00 0.00 C ATOM 889 C GLU A 475 -2.327 3.738 -3.701 1.00 0.00 C ATOM 890 O GLU A 475 -1.784 2.988 -4.488 1.00 0.00 O ATOM 891 CB GLU A 475 -1.216 5.976 -3.768 1.00 0.00 C ATOM 892 CG GLU A 475 -2.529 6.646 -4.185 1.00 0.00 C ATOM 893 CD GLU A 475 -2.235 7.912 -4.990 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.101 8.362 -4.960 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.150 8.410 -5.624 1.00 0.00 O ATOM 0 H GLU A 475 0.267 3.654 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.118 5.079 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.591 6.681 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.653 5.670 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.126 5.956 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.117 6.895 -3.302 1.00 0.00 H new ATOM 902 N VAL A 476 -3.618 3.711 -3.494 1.00 0.00 N ATOM 903 CA VAL A 476 -4.499 2.746 -4.220 1.00 0.00 C ATOM 904 C VAL A 476 -5.398 3.482 -5.202 1.00 0.00 C ATOM 905 O VAL A 476 -6.047 4.455 -4.871 1.00 0.00 O ATOM 906 CB VAL A 476 -5.355 1.973 -3.215 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.480 0.949 -2.490 1.00 0.00 C ATOM 908 CG2 VAL A 476 -5.969 2.935 -2.190 1.00 0.00 C ATOM 0 H VAL A 476 -4.107 4.326 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.872 2.049 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 476 -6.158 1.464 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.086 0.396 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.054 0.256 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.676 1.464 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.576 2.372 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.173 3.454 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.595 3.664 -2.705 1.00 0.00 H new ATOM 918 N LEU A 477 -5.432 3.003 -6.417 1.00 0.00 N ATOM 919 CA LEU A 477 -6.279 3.634 -7.468 1.00 0.00 C ATOM 920 C LEU A 477 -7.603 2.880 -7.566 1.00 0.00 C ATOM 921 O LEU A 477 -7.672 1.779 -8.074 1.00 0.00 O ATOM 922 CB LEU A 477 -5.547 3.568 -8.815 1.00 0.00 C ATOM 923 CG LEU A 477 -4.142 4.166 -8.672 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.400 4.050 -10.007 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.245 5.644 -8.267 1.00 0.00 C ATOM 0 H LEU A 477 -4.901 2.190 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.472 4.676 -7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.479 2.534 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -6.109 4.114 -9.572 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.595 3.621 -7.903 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.401 4.475 -9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.321 3.000 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -3.949 4.592 -10.777 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.244 6.064 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.794 6.193 -9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.770 5.725 -7.315 1.00 0.00 H new ATOM 937 N SER A 478 -8.651 3.481 -7.072 1.00 0.00 N ATOM 938 CA SER A 478 -9.995 2.840 -7.116 1.00 0.00 C ATOM 939 C SER A 478 -10.695 3.175 -8.430 1.00 0.00 C ATOM 940 O SER A 478 -10.256 4.015 -9.188 1.00 0.00 O ATOM 941 CB SER A 478 -10.841 3.341 -5.944 1.00 0.00 C ATOM 942 OG SER A 478 -10.796 4.759 -5.895 1.00 0.00 O ATOM 0 H SER A 478 -8.632 4.402 -6.634 1.00 0.00 H new ATOM 0 HA SER A 478 -9.874 1.759 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 478 -11.871 3.004 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 478 -10.469 2.923 -5.009 1.00 0.00 H new ATOM 0 HG SER A 478 -11.340 5.078 -5.145 1.00 0.00 H new