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= -0.0495 K(o=-0.049,f=-2.1!) USER MOD Single : A 420 MET CE :methyl -164:sc= -0.11 (180deg=-0.364) USER MOD Single : A 423 THR OG1 : rot 180:sc= 0.231 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= -0.264 X(o=-0.26,f=-0.22) USER MOD Single : A 436 THR OG1 : rot 180:sc= -0.0619 USER MOD Single : A 442 TYR OH : rot 15:sc= 0.032 USER MOD Single : A 443 SER OG : rot 82:sc= 1.22 USER MOD Single : A 445 HIS : no HD1:sc= -4.13! C(o=-4.1!,f=-3.6!) USER MOD Single : A 446 SER OG : rot 180:sc=-0.00532 USER MOD Single : A 451 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.08) USER MOD Single : A 452 CYS SG : rot 46:sc= 0.404 USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 ASN : amide:sc= -0.79 X(o=-0.79,f=-0.6!) USER MOD Single : A 459 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -7.7! C(o=-7.7!,f=-9.2!) USER MOD Single : A 478 SER OG : rot 180:sc= 0.0179 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 9.140 -5.473 10.441 1.00 0.00 N ATOM 19 CA GLU A 418 7.878 -5.057 9.768 1.00 0.00 C ATOM 20 C GLU A 418 8.150 -3.857 8.862 1.00 0.00 C ATOM 21 O GLU A 418 9.192 -3.238 8.936 1.00 0.00 O ATOM 22 CB GLU A 418 6.842 -4.671 10.827 1.00 0.00 C ATOM 23 CG GLU A 418 6.452 -5.907 11.651 1.00 0.00 C ATOM 24 CD GLU A 418 7.498 -6.163 12.741 1.00 0.00 C ATOM 25 OE1 GLU A 418 8.493 -5.458 12.762 1.00 0.00 O ATOM 26 OE2 GLU A 418 7.276 -7.050 13.549 1.00 0.00 O ATOM 0 HA GLU A 418 7.498 -5.884 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 418 7.248 -3.900 11.482 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.959 -4.249 10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.472 -5.757 12.104 1.00 0.00 H new ATOM 0 HG3 GLU A 418 6.373 -6.778 11.000 1.00 0.00 H new ATOM 33 N VAL A 419 7.211 -3.527 8.006 1.00 0.00 N ATOM 34 CA VAL A 419 7.389 -2.367 7.079 1.00 0.00 C ATOM 35 C VAL A 419 6.349 -1.294 7.395 1.00 0.00 C ATOM 36 O VAL A 419 5.170 -1.566 7.498 1.00 0.00 O ATOM 37 CB VAL A 419 7.218 -2.845 5.634 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.407 -3.730 5.260 1.00 0.00 C ATOM 39 CG2 VAL A 419 5.921 -3.652 5.493 1.00 0.00 C ATOM 0 H VAL A 419 6.322 -4.017 7.911 1.00 0.00 H new ATOM 0 HA VAL A 419 8.386 -1.946 7.207 1.00 0.00 H new ATOM 0 HB VAL A 419 7.170 -1.980 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.294 -4.076 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.330 -3.157 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.446 -4.589 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 419 5.811 -3.986 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 419 5.958 -4.519 6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.071 -3.025 5.764 1.00 0.00 H new ATOM 49 N MET A 420 6.791 -0.074 7.556 1.00 0.00 N ATOM 50 CA MET A 420 5.852 1.043 7.877 1.00 0.00 C ATOM 51 C MET A 420 5.604 1.873 6.618 1.00 0.00 C ATOM 52 O MET A 420 6.527 2.241 5.917 1.00 0.00 O ATOM 53 CB MET A 420 6.479 1.931 8.953 1.00 0.00 C ATOM 54 CG MET A 420 5.460 2.978 9.404 1.00 0.00 C ATOM 55 SD MET A 420 6.218 4.067 10.635 1.00 0.00 S ATOM 56 CE MET A 420 5.706 3.146 12.106 1.00 0.00 C ATOM 0 H MET A 420 7.771 0.199 7.478 1.00 0.00 H new ATOM 0 HA MET A 420 4.907 0.637 8.239 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.794 1.325 9.802 1.00 0.00 H new ATOM 0 HB3 MET A 420 7.371 2.420 8.562 1.00 0.00 H new ATOM 0 HG2 MET A 420 5.119 3.561 8.548 1.00 0.00 H new ATOM 0 HG3 MET A 420 4.583 2.489 9.827 1.00 0.00 H new ATOM 0 HE1 MET A 420 5.818 3.777 12.988 1.00 0.00 H new ATOM 0 HE2 MET A 420 4.663 2.847 12.003 1.00 0.00 H new ATOM 0 HE3 MET A 420 6.329 2.258 12.214 1.00 0.00 H new ATOM 66 N VAL A 421 4.363 2.175 6.335 1.00 0.00 N ATOM 67 CA VAL A 421 4.028 2.991 5.127 1.00 0.00 C ATOM 68 C VAL A 421 3.074 4.113 5.528 1.00 0.00 C ATOM 69 O VAL A 421 2.482 4.085 6.593 1.00 0.00 O ATOM 70 CB VAL A 421 3.371 2.102 4.073 1.00 0.00 C ATOM 71 CG1 VAL A 421 4.378 1.053 3.603 1.00 0.00 C ATOM 72 CG2 VAL A 421 2.150 1.401 4.674 1.00 0.00 C ATOM 0 H VAL A 421 3.559 1.889 6.894 1.00 0.00 H new ATOM 0 HA VAL A 421 4.939 3.421 4.710 1.00 0.00 H new ATOM 0 HB VAL A 421 3.054 2.714 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.914 0.415 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 421 5.247 1.550 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.692 0.444 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.685 0.768 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 421 2.462 0.787 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.432 2.148 5.013 1.00 0.00 H new ATOM 82 N PHE A 422 2.938 5.109 4.686 1.00 0.00 N ATOM 83 CA PHE A 422 2.043 6.263 5.004 1.00 0.00 C ATOM 84 C PHE A 422 0.918 6.345 3.979 1.00 0.00 C ATOM 85 O PHE A 422 1.104 6.068 2.810 1.00 0.00 O ATOM 86 CB PHE A 422 2.858 7.552 4.942 1.00 0.00 C ATOM 87 CG PHE A 422 3.993 7.474 5.929 1.00 0.00 C ATOM 88 CD1 PHE A 422 3.790 7.852 7.261 1.00 0.00 C ATOM 89 CD2 PHE A 422 5.251 7.024 5.511 1.00 0.00 C ATOM 90 CE1 PHE A 422 4.846 7.778 8.177 1.00 0.00 C ATOM 91 CE2 PHE A 422 6.306 6.950 6.426 1.00 0.00 C ATOM 92 CZ PHE A 422 6.105 7.329 7.759 1.00 0.00 C ATOM 0 H PHE A 422 3.413 5.171 3.785 1.00 0.00 H new ATOM 0 HA PHE A 422 1.619 6.127 5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.247 7.701 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.223 8.408 5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 422 2.819 8.201 7.582 1.00 0.00 H new ATOM 0 HD2 PHE A 422 5.407 6.734 4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 422 4.690 8.067 9.206 1.00 0.00 H new ATOM 0 HE2 PHE A 422 7.276 6.600 6.104 1.00 0.00 H new ATOM 0 HZ PHE A 422 6.921 7.275 8.465 1.00 0.00 H new ATOM 102 N THR A 423 -0.249 6.726 4.418 1.00 0.00 N ATOM 103 CA THR A 423 -1.415 6.840 3.492 1.00 0.00 C ATOM 104 C THR A 423 -1.584 8.317 3.101 1.00 0.00 C ATOM 105 O THR A 423 -0.906 9.178 3.627 1.00 0.00 O ATOM 106 CB THR A 423 -2.691 6.330 4.204 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.501 7.433 4.590 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.314 5.521 5.451 1.00 0.00 C ATOM 0 H THR A 423 -0.449 6.966 5.389 1.00 0.00 H new ATOM 0 HA THR A 423 -1.249 6.239 2.598 1.00 0.00 H new ATOM 0 HB THR A 423 -3.244 5.692 3.514 1.00 0.00 H new ATOM 0 HG1 THR A 423 -4.308 7.105 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 423 -3.220 5.168 5.943 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.703 4.667 5.160 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.751 6.153 6.138 1.00 0.00 H new ATOM 116 N PRO A 424 -2.488 8.616 2.199 1.00 0.00 N ATOM 117 CA PRO A 424 -2.739 10.021 1.758 1.00 0.00 C ATOM 118 C PRO A 424 -3.090 10.925 2.949 1.00 0.00 C ATOM 119 O PRO A 424 -2.792 12.103 2.960 1.00 0.00 O ATOM 120 CB PRO A 424 -3.937 9.905 0.793 1.00 0.00 C ATOM 121 CG PRO A 424 -3.951 8.476 0.345 1.00 0.00 C ATOM 122 CD PRO A 424 -3.361 7.660 1.496 1.00 0.00 C ATOM 0 HA PRO A 424 -1.862 10.469 1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -4.870 10.170 1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -3.825 10.581 -0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.966 8.150 0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -3.363 8.348 -0.564 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -4.141 7.274 2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -2.799 6.801 1.129 1.00 0.00 H new ATOM 130 N LYS A 425 -3.730 10.374 3.944 1.00 0.00 N ATOM 131 CA LYS A 425 -4.116 11.182 5.132 1.00 0.00 C ATOM 132 C LYS A 425 -2.914 11.297 6.076 1.00 0.00 C ATOM 133 O LYS A 425 -2.961 11.981 7.078 1.00 0.00 O ATOM 134 CB LYS A 425 -5.277 10.488 5.852 1.00 0.00 C ATOM 135 CG LYS A 425 -6.518 10.505 4.953 1.00 0.00 C ATOM 136 CD LYS A 425 -7.678 9.796 5.661 1.00 0.00 C ATOM 137 CE LYS A 425 -8.919 9.824 4.764 1.00 0.00 C ATOM 138 NZ LYS A 425 -10.043 9.124 5.447 1.00 0.00 N ATOM 0 H LYS A 425 -4.003 9.392 3.984 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.426 12.180 4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -5.006 9.461 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -5.490 10.994 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -6.796 11.533 4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -6.300 10.010 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -7.404 8.766 5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -7.892 10.286 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -9.198 10.854 4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -8.702 9.342 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -10.885 9.143 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -9.774 8.137 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -10.255 9.602 6.346 1.00 0.00 H new ATOM 152 N GLY A 426 -1.831 10.638 5.752 1.00 0.00 N ATOM 153 CA GLY A 426 -0.617 10.711 6.614 1.00 0.00 C ATOM 154 C GLY A 426 -0.764 9.750 7.796 1.00 0.00 C ATOM 155 O GLY A 426 -0.003 9.792 8.741 1.00 0.00 O ATOM 0 H GLY A 426 -1.737 10.050 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 426 0.269 10.455 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -0.477 11.729 6.976 1.00 0.00 H new ATOM 159 N GLU A 427 -1.742 8.886 7.754 1.00 0.00 N ATOM 160 CA GLU A 427 -1.946 7.930 8.879 1.00 0.00 C ATOM 161 C GLU A 427 -0.834 6.879 8.898 1.00 0.00 C ATOM 162 O GLU A 427 -0.213 6.596 7.894 1.00 0.00 O ATOM 163 CB GLU A 427 -3.305 7.247 8.720 1.00 0.00 C ATOM 164 CG GLU A 427 -4.407 8.280 8.959 1.00 0.00 C ATOM 165 CD GLU A 427 -5.775 7.637 8.731 1.00 0.00 C ATOM 166 OE1 GLU A 427 -5.812 6.457 8.427 1.00 0.00 O ATOM 167 OE2 GLU A 427 -6.764 8.338 8.867 1.00 0.00 O ATOM 0 H GLU A 427 -2.410 8.801 6.987 1.00 0.00 H new ATOM 0 HA GLU A 427 -1.918 8.478 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.398 6.820 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.399 6.424 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -4.341 8.667 9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -4.276 9.128 8.286 1.00 0.00 H new ATOM 174 N ILE A 428 -0.572 6.306 10.047 1.00 0.00 N ATOM 175 CA ILE A 428 0.509 5.282 10.155 1.00 0.00 C ATOM 176 C ILE A 428 -0.085 3.887 9.999 1.00 0.00 C ATOM 177 O ILE A 428 -0.985 3.501 10.721 1.00 0.00 O ATOM 178 CB ILE A 428 1.163 5.391 11.537 1.00 0.00 C ATOM 179 CG1 ILE A 428 1.629 6.835 11.776 1.00 0.00 C ATOM 180 CG2 ILE A 428 2.358 4.436 11.625 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.523 7.311 10.623 1.00 0.00 C ATOM 0 H ILE A 428 -1.064 6.506 10.918 1.00 0.00 H new ATOM 0 HA ILE A 428 1.249 5.452 9.373 1.00 0.00 H new ATOM 0 HB ILE A 428 0.435 5.118 12.301 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.764 7.492 11.868 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.176 6.895 12.717 1.00 0.00 H new ATOM 0 HG21 ILE A 428 2.818 4.519 12.610 1.00 0.00 H new ATOM 0 HG22 ILE A 428 2.018 3.412 11.468 1.00 0.00 H new ATOM 0 HG23 ILE A 428 3.089 4.697 10.860 1.00 0.00 H new ATOM 0 HD11 ILE A 428 2.843 8.336 10.810 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.398 6.665 10.550 1.00 0.00 H new ATOM 0 HD13 ILE A 428 1.964 7.271 9.688 1.00 0.00 H new ATOM 193 N LYS A 429 0.420 3.127 9.060 1.00 0.00 N ATOM 194 CA LYS A 429 -0.097 1.742 8.839 1.00 0.00 C ATOM 195 C LYS A 429 1.085 0.778 8.793 1.00 0.00 C ATOM 196 O LYS A 429 1.837 0.744 7.841 1.00 0.00 O ATOM 197 CB LYS A 429 -0.858 1.703 7.508 1.00 0.00 C ATOM 198 CG LYS A 429 -1.984 2.752 7.503 1.00 0.00 C ATOM 199 CD LYS A 429 -3.128 2.317 8.427 1.00 0.00 C ATOM 200 CE LYS A 429 -4.269 3.328 8.335 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.385 2.881 9.215 1.00 0.00 N ATOM 0 H LYS A 429 1.173 3.409 8.433 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.769 1.452 9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.171 1.894 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.277 0.709 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.592 3.716 7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.359 2.886 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.482 1.326 8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.773 2.246 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -3.922 4.316 8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.613 3.414 7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.167 3.564 9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.719 1.946 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -5.049 2.820 10.197 1.00 0.00 H new ATOM 215 N ARG A 430 1.256 -0.006 9.827 1.00 0.00 N ATOM 216 CA ARG A 430 2.389 -0.972 9.865 1.00 0.00 C ATOM 217 C ARG A 430 1.896 -2.349 9.432 1.00 0.00 C ATOM 218 O ARG A 430 0.925 -2.861 9.952 1.00 0.00 O ATOM 219 CB ARG A 430 2.935 -1.050 11.292 1.00 0.00 C ATOM 220 CG ARG A 430 4.123 -2.009 11.330 1.00 0.00 C ATOM 221 CD ARG A 430 4.830 -1.883 12.680 1.00 0.00 C ATOM 222 NE ARG A 430 3.868 -2.159 13.788 1.00 0.00 N ATOM 223 CZ ARG A 430 3.678 -3.379 14.223 1.00 0.00 C ATOM 224 NH1 ARG A 430 4.324 -4.379 13.689 1.00 0.00 N ATOM 225 NH2 ARG A 430 2.843 -3.595 15.203 1.00 0.00 N ATOM 0 H ARG A 430 0.654 -0.016 10.650 1.00 0.00 H new ATOM 0 HA ARG A 430 3.177 -0.641 9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 430 3.242 -0.060 11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 430 2.156 -1.392 11.973 1.00 0.00 H new ATOM 0 HG2 ARG A 430 3.783 -3.034 11.179 1.00 0.00 H new ATOM 0 HG3 ARG A 430 4.816 -1.780 10.521 1.00 0.00 H new ATOM 0 HD2 ARG A 430 5.665 -2.582 12.729 1.00 0.00 H new ATOM 0 HD3 ARG A 430 5.246 -0.882 12.790 1.00 0.00 H new ATOM 0 HE ARG A 430 3.352 -1.387 14.211 1.00 0.00 H new ATOM 0 HH11 ARG A 430 4.982 -4.213 12.928 1.00 0.00 H new ATOM 0 HH12 ARG A 430 4.171 -5.327 14.033 1.00 0.00 H new ATOM 0 HH21 ARG A 430 2.341 -2.815 15.627 1.00 0.00 H new ATOM 0 HH22 ARG A 430 2.692 -4.544 15.545 1.00 0.00 H new ATOM 239 N LEU A 431 2.564 -2.949 8.479 1.00 0.00 N ATOM 240 CA LEU A 431 2.158 -4.300 7.983 1.00 0.00 C ATOM 241 C LEU A 431 3.317 -5.282 8.203 1.00 0.00 C ATOM 242 O LEU A 431 4.470 -4.899 8.153 1.00 0.00 O ATOM 243 CB LEU A 431 1.863 -4.214 6.484 1.00 0.00 C ATOM 244 CG LEU A 431 0.923 -3.042 6.200 1.00 0.00 C ATOM 245 CD1 LEU A 431 0.698 -2.934 4.690 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.420 -3.274 6.902 1.00 0.00 C ATOM 0 H LEU A 431 3.384 -2.555 8.018 1.00 0.00 H new ATOM 0 HA LEU A 431 1.272 -4.640 8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 431 2.793 -4.087 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.411 -5.144 6.140 1.00 0.00 H new ATOM 0 HG LEU A 431 1.368 -2.119 6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 431 0.028 -2.100 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 431 1.653 -2.767 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.253 -3.858 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -1.087 -2.437 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.870 -4.195 6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.259 -3.355 7.977 1.00 0.00 H new ATOM 258 N PRO A 432 3.022 -6.537 8.436 1.00 0.00 N ATOM 259 CA PRO A 432 4.074 -7.574 8.647 1.00 0.00 C ATOM 260 C PRO A 432 4.905 -7.822 7.382 1.00 0.00 C ATOM 261 O PRO A 432 4.463 -7.581 6.276 1.00 0.00 O ATOM 262 CB PRO A 432 3.284 -8.826 9.067 1.00 0.00 C ATOM 263 CG PRO A 432 1.907 -8.622 8.523 1.00 0.00 C ATOM 264 CD PRO A 432 1.667 -7.112 8.524 1.00 0.00 C ATOM 0 HA PRO A 432 4.805 -7.271 9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 432 3.737 -9.731 8.663 1.00 0.00 H new ATOM 0 HB3 PRO A 432 3.267 -8.935 10.151 1.00 0.00 H new ATOM 0 HG2 PRO A 432 1.822 -9.029 7.515 1.00 0.00 H new ATOM 0 HG3 PRO A 432 1.166 -9.134 9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.048 -6.805 7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.154 -6.790 9.430 1.00 0.00 H new ATOM 272 N GLN A 433 6.116 -8.276 7.546 1.00 0.00 N ATOM 273 CA GLN A 433 7.006 -8.516 6.373 1.00 0.00 C ATOM 274 C GLN A 433 6.313 -9.399 5.335 1.00 0.00 C ATOM 275 O GLN A 433 5.536 -10.276 5.658 1.00 0.00 O ATOM 276 CB GLN A 433 8.291 -9.195 6.849 1.00 0.00 C ATOM 277 CG GLN A 433 9.297 -9.269 5.696 1.00 0.00 C ATOM 278 CD GLN A 433 9.759 -7.857 5.329 1.00 0.00 C ATOM 279 OE1 GLN A 433 9.627 -7.437 4.199 1.00 0.00 O ATOM 280 NE2 GLN A 433 10.299 -7.103 6.248 1.00 0.00 N ATOM 0 H GLN A 433 6.532 -8.494 8.451 1.00 0.00 H new ATOM 0 HA GLN A 433 7.239 -7.558 5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.720 -8.639 7.683 1.00 0.00 H new ATOM 0 HB3 GLN A 433 8.069 -10.197 7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 433 10.153 -9.879 5.985 1.00 0.00 H new ATOM 0 HG3 GLN A 433 8.840 -9.750 4.831 1.00 0.00 H new ATOM 0 HE21 GLN A 433 10.410 -7.457 7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 433 10.610 -6.160 6.016 1.00 0.00 H new ATOM 289 N GLY A 434 6.604 -9.163 4.081 1.00 0.00 N ATOM 290 CA GLY A 434 5.982 -9.964 2.989 1.00 0.00 C ATOM 291 C GLY A 434 4.644 -9.329 2.628 1.00 0.00 C ATOM 292 O GLY A 434 3.872 -9.866 1.861 1.00 0.00 O ATOM 0 H GLY A 434 7.253 -8.442 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 434 6.637 -9.990 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 434 5.838 -10.996 3.310 1.00 0.00 H new ATOM 296 N ALA A 435 4.369 -8.184 3.189 1.00 0.00 N ATOM 297 CA ALA A 435 3.084 -7.490 2.910 1.00 0.00 C ATOM 298 C ALA A 435 3.050 -7.008 1.462 1.00 0.00 C ATOM 299 O ALA A 435 4.070 -6.723 0.866 1.00 0.00 O ATOM 300 CB ALA A 435 2.942 -6.289 3.844 1.00 0.00 C ATOM 0 H ALA A 435 4.988 -7.696 3.836 1.00 0.00 H new ATOM 0 HA ALA A 435 2.262 -8.187 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 435 2.000 -5.779 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 435 2.954 -6.630 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.770 -5.600 3.679 1.00 0.00 H new ATOM 306 N THR A 436 1.872 -6.914 0.895 1.00 0.00 N ATOM 307 CA THR A 436 1.729 -6.453 -0.520 1.00 0.00 C ATOM 308 C THR A 436 0.724 -5.302 -0.584 1.00 0.00 C ATOM 309 O THR A 436 0.057 -4.987 0.382 1.00 0.00 O ATOM 310 CB THR A 436 1.219 -7.610 -1.379 1.00 0.00 C ATOM 311 OG1 THR A 436 -0.100 -7.956 -0.974 1.00 0.00 O ATOM 312 CG2 THR A 436 2.141 -8.817 -1.208 1.00 0.00 C ATOM 0 H THR A 436 0.993 -7.140 1.359 1.00 0.00 H new ATOM 0 HA THR A 436 2.697 -6.115 -0.890 1.00 0.00 H new ATOM 0 HB THR A 436 1.208 -7.308 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.428 -8.697 -1.526 1.00 0.00 H new ATOM 0 HG21 THR A 436 1.778 -9.642 -1.820 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.151 -8.551 -1.520 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.153 -9.120 -0.161 1.00 0.00 H new ATOM 320 N ALA A 437 0.615 -4.678 -1.721 1.00 0.00 N ATOM 321 CA ALA A 437 -0.340 -3.551 -1.873 1.00 0.00 C ATOM 322 C ALA A 437 -1.750 -4.046 -1.550 1.00 0.00 C ATOM 323 O ALA A 437 -2.599 -3.295 -1.116 1.00 0.00 O ATOM 324 CB ALA A 437 -0.288 -3.052 -3.316 1.00 0.00 C ATOM 0 H ALA A 437 1.152 -4.903 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 437 -0.077 -2.739 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -0.986 -2.224 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.722 -2.714 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.563 -3.862 -3.991 1.00 0.00 H new ATOM 330 N LEU A 438 -2.003 -5.307 -1.769 1.00 0.00 N ATOM 331 CA LEU A 438 -3.354 -5.858 -1.483 1.00 0.00 C ATOM 332 C LEU A 438 -3.653 -5.746 0.014 1.00 0.00 C ATOM 333 O LEU A 438 -4.717 -5.318 0.410 1.00 0.00 O ATOM 334 CB LEU A 438 -3.381 -7.334 -1.890 1.00 0.00 C ATOM 335 CG LEU A 438 -3.301 -7.458 -3.419 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.086 -8.929 -3.797 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.597 -6.936 -4.071 1.00 0.00 C ATOM 0 H LEU A 438 -1.329 -5.980 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 438 -4.103 -5.298 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.546 -7.862 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.295 -7.804 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.466 -6.859 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.029 -9.021 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.157 -9.287 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -3.919 -9.526 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.523 -7.031 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.445 -7.519 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.740 -5.888 -3.808 1.00 0.00 H new ATOM 349 N ASP A 439 -2.719 -6.118 0.846 1.00 0.00 N ATOM 350 CA ASP A 439 -2.947 -6.035 2.316 1.00 0.00 C ATOM 351 C ASP A 439 -3.159 -4.575 2.720 1.00 0.00 C ATOM 352 O ASP A 439 -4.028 -4.258 3.508 1.00 0.00 O ATOM 353 CB ASP A 439 -1.727 -6.597 3.047 1.00 0.00 C ATOM 354 CG ASP A 439 -1.693 -8.121 2.899 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.700 -8.683 2.500 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.661 -8.700 3.191 1.00 0.00 O ATOM 0 H ASP A 439 -1.805 -6.477 0.570 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.832 -6.614 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -0.815 -6.162 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.766 -6.325 4.102 1.00 0.00 H new ATOM 361 N PHE A 440 -2.369 -3.688 2.186 1.00 0.00 N ATOM 362 CA PHE A 440 -2.513 -2.246 2.527 1.00 0.00 C ATOM 363 C PHE A 440 -3.894 -1.753 2.098 1.00 0.00 C ATOM 364 O PHE A 440 -4.566 -1.051 2.824 1.00 0.00 O ATOM 365 CB PHE A 440 -1.438 -1.445 1.795 1.00 0.00 C ATOM 366 CG PHE A 440 -1.619 0.027 2.085 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.268 0.542 3.338 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.135 0.877 1.099 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.434 1.905 3.605 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.300 2.240 1.367 1.00 0.00 C ATOM 371 CZ PHE A 440 -1.949 2.755 2.619 1.00 0.00 C ATOM 0 H PHE A 440 -1.624 -3.901 1.523 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.401 -2.114 3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.448 -1.770 2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.503 -1.626 0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -0.869 -0.113 4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.406 0.480 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.165 2.302 4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.699 2.895 0.607 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.075 3.808 2.825 1.00 0.00 H new ATOM 381 N ALA A 441 -4.313 -2.106 0.915 1.00 0.00 N ATOM 382 CA ALA A 441 -5.642 -1.654 0.420 1.00 0.00 C ATOM 383 C ALA A 441 -6.734 -2.115 1.387 1.00 0.00 C ATOM 384 O ALA A 441 -7.605 -1.358 1.767 1.00 0.00 O ATOM 385 CB ALA A 441 -5.888 -2.267 -0.963 1.00 0.00 C ATOM 0 H ALA A 441 -3.788 -2.692 0.266 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.662 -0.566 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -6.859 -1.943 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.107 -1.940 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -5.873 -3.354 -0.887 1.00 0.00 H new ATOM 391 N TYR A 442 -6.689 -3.356 1.783 1.00 0.00 N ATOM 392 CA TYR A 442 -7.715 -3.885 2.722 1.00 0.00 C ATOM 393 C TYR A 442 -7.593 -3.167 4.067 1.00 0.00 C ATOM 394 O TYR A 442 -8.570 -2.949 4.755 1.00 0.00 O ATOM 395 CB TYR A 442 -7.498 -5.394 2.920 1.00 0.00 C ATOM 396 CG TYR A 442 -8.048 -6.159 1.731 1.00 0.00 C ATOM 397 CD1 TYR A 442 -9.418 -6.107 1.441 1.00 0.00 C ATOM 398 CD2 TYR A 442 -7.193 -6.920 0.921 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.929 -6.812 0.346 1.00 0.00 C ATOM 400 CE2 TYR A 442 -7.706 -7.625 -0.174 1.00 0.00 C ATOM 401 CZ TYR A 442 -9.074 -7.569 -0.462 1.00 0.00 C ATOM 402 OH TYR A 442 -9.582 -8.263 -1.542 1.00 0.00 O ATOM 0 H TYR A 442 -5.980 -4.031 1.494 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.710 -3.714 2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.435 -5.604 3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.991 -5.724 3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -10.080 -5.522 2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -6.137 -6.962 1.142 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.985 -6.772 0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -7.046 -8.212 -0.796 1.00 0.00 H new ATOM 0 HH TYR A 442 -10.484 -7.939 -1.744 1.00 0.00 H new ATOM 412 N SER A 443 -6.399 -2.816 4.453 1.00 0.00 N ATOM 413 CA SER A 443 -6.209 -2.127 5.757 1.00 0.00 C ATOM 414 C SER A 443 -7.023 -0.833 5.776 1.00 0.00 C ATOM 415 O SER A 443 -7.656 -0.505 6.759 1.00 0.00 O ATOM 416 CB SER A 443 -4.730 -1.794 5.937 1.00 0.00 C ATOM 417 OG SER A 443 -3.959 -2.979 5.782 1.00 0.00 O ATOM 0 H SER A 443 -5.545 -2.977 3.920 1.00 0.00 H new ATOM 0 HA SER A 443 -6.543 -2.778 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.422 -1.048 5.205 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.560 -1.362 6.923 1.00 0.00 H new ATOM 0 HG SER A 443 -3.816 -3.154 4.828 1.00 0.00 H new ATOM 423 N LEU A 444 -7.003 -0.090 4.703 1.00 0.00 N ATOM 424 CA LEU A 444 -7.768 1.185 4.671 1.00 0.00 C ATOM 425 C LEU A 444 -9.261 0.895 4.811 1.00 0.00 C ATOM 426 O LEU A 444 -9.942 1.508 5.606 1.00 0.00 O ATOM 427 CB LEU A 444 -7.518 1.886 3.334 1.00 0.00 C ATOM 428 CG LEU A 444 -6.012 2.039 3.100 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.771 2.718 1.747 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.390 2.885 4.224 1.00 0.00 C ATOM 0 H LEU A 444 -6.490 -0.312 3.849 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.444 1.822 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.964 1.311 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -7.997 2.865 3.332 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.547 1.053 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.699 2.827 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.202 2.109 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.240 3.702 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.319 2.989 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -5.853 3.871 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.556 2.394 5.183 1.00 0.00 H new ATOM 442 N HIS A 445 -9.766 -0.043 4.052 1.00 0.00 N ATOM 443 CA HIS A 445 -11.217 -0.386 4.131 1.00 0.00 C ATOM 444 C HIS A 445 -11.458 -1.718 3.414 1.00 0.00 C ATOM 445 O HIS A 445 -10.532 -2.441 3.107 1.00 0.00 O ATOM 446 CB HIS A 445 -12.046 0.709 3.443 1.00 0.00 C ATOM 447 CG HIS A 445 -12.115 1.928 4.320 1.00 0.00 C ATOM 448 ND1 HIS A 445 -12.876 1.962 5.478 1.00 0.00 N ATOM 449 CD2 HIS A 445 -11.511 3.158 4.232 1.00 0.00 C ATOM 450 CE1 HIS A 445 -12.713 3.175 6.036 1.00 0.00 C ATOM 451 NE2 HIS A 445 -11.890 3.944 5.317 1.00 0.00 N ATOM 0 H HIS A 445 -9.232 -0.589 3.377 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.514 -0.465 5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.599 0.966 2.483 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -13.051 0.341 3.238 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -10.844 3.468 3.442 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -13.189 3.489 6.953 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -11.601 4.901 5.520 1.00 0.00 H new ATOM 459 N SER A 446 -12.700 -2.037 3.140 1.00 0.00 N ATOM 460 CA SER A 446 -13.027 -3.312 2.429 1.00 0.00 C ATOM 461 C SER A 446 -13.504 -2.975 1.015 1.00 0.00 C ATOM 462 O SER A 446 -13.210 -3.673 0.065 1.00 0.00 O ATOM 463 CB SER A 446 -14.144 -4.036 3.184 1.00 0.00 C ATOM 464 OG SER A 446 -15.277 -3.185 3.274 1.00 0.00 O ATOM 0 H SER A 446 -13.508 -1.463 3.381 1.00 0.00 H new ATOM 0 HA SER A 446 -12.147 -3.953 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 446 -14.408 -4.959 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 446 -13.804 -4.314 4.181 1.00 0.00 H new ATOM 0 HG SER A 446 -15.995 -3.646 3.756 1.00 0.00 H new ATOM 470 N ASP A 447 -14.237 -1.902 0.871 1.00 0.00 N ATOM 471 CA ASP A 447 -14.736 -1.501 -0.475 1.00 0.00 C ATOM 472 C ASP A 447 -13.552 -1.124 -1.372 1.00 0.00 C ATOM 473 O ASP A 447 -13.448 -1.565 -2.497 1.00 0.00 O ATOM 474 CB ASP A 447 -15.655 -0.285 -0.327 1.00 0.00 C ATOM 475 CG ASP A 447 -16.984 -0.713 0.294 1.00 0.00 C ATOM 476 OD1 ASP A 447 -17.246 -1.904 0.329 1.00 0.00 O ATOM 477 OD2 ASP A 447 -17.720 0.160 0.724 1.00 0.00 O ATOM 0 H ASP A 447 -14.512 -1.283 1.634 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.283 -2.332 -0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -15.177 0.469 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -15.829 0.172 -1.301 1.00 0.00 H new ATOM 482 N LEU A 448 -12.664 -0.307 -0.873 1.00 0.00 N ATOM 483 CA LEU A 448 -11.484 0.114 -1.681 1.00 0.00 C ATOM 484 C LEU A 448 -10.619 -1.108 -1.986 1.00 0.00 C ATOM 485 O LEU A 448 -10.108 -1.262 -3.078 1.00 0.00 O ATOM 486 CB LEU A 448 -10.669 1.145 -0.880 1.00 0.00 C ATOM 487 CG LEU A 448 -11.263 2.556 -1.045 1.00 0.00 C ATOM 488 CD1 LEU A 448 -10.979 3.104 -2.458 1.00 0.00 C ATOM 489 CD2 LEU A 448 -12.778 2.518 -0.804 1.00 0.00 C ATOM 0 H LEU A 448 -12.706 0.089 0.066 1.00 0.00 H new ATOM 0 HA LEU A 448 -11.814 0.562 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -10.661 0.870 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -9.633 1.139 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 448 -10.794 3.214 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -11.407 4.102 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -9.902 3.154 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.427 2.444 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -13.191 3.520 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -13.244 1.846 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -12.977 2.161 0.207 1.00 0.00 H new ATOM 501 N GLY A 449 -10.446 -1.970 -1.026 1.00 0.00 N ATOM 502 CA GLY A 449 -9.612 -3.178 -1.250 1.00 0.00 C ATOM 503 C GLY A 449 -10.258 -4.044 -2.334 1.00 0.00 C ATOM 504 O GLY A 449 -9.583 -4.699 -3.101 1.00 0.00 O ATOM 0 H GLY A 449 -10.849 -1.889 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -8.605 -2.888 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.517 -3.745 -0.324 1.00 0.00 H new ATOM 508 N ASP A 450 -11.564 -4.048 -2.402 1.00 0.00 N ATOM 509 CA ASP A 450 -12.264 -4.865 -3.437 1.00 0.00 C ATOM 510 C ASP A 450 -12.400 -4.045 -4.717 1.00 0.00 C ATOM 511 O ASP A 450 -12.533 -4.581 -5.799 1.00 0.00 O ATOM 512 CB ASP A 450 -13.662 -5.228 -2.932 1.00 0.00 C ATOM 513 CG ASP A 450 -13.559 -6.247 -1.797 1.00 0.00 C ATOM 514 OD1 ASP A 450 -12.503 -6.840 -1.653 1.00 0.00 O ATOM 515 OD2 ASP A 450 -14.540 -6.417 -1.093 1.00 0.00 O ATOM 0 H ASP A 450 -12.178 -3.519 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 450 -11.693 -5.772 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -14.175 -4.332 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -14.257 -5.639 -3.748 1.00 0.00 H new ATOM 520 N HIS A 451 -12.379 -2.744 -4.595 1.00 0.00 N ATOM 521 CA HIS A 451 -12.516 -1.863 -5.790 1.00 0.00 C ATOM 522 C HIS A 451 -11.135 -1.368 -6.217 1.00 0.00 C ATOM 523 O HIS A 451 -11.011 -0.443 -6.992 1.00 0.00 O ATOM 524 CB HIS A 451 -13.409 -0.669 -5.429 1.00 0.00 C ATOM 525 CG HIS A 451 -14.850 -1.111 -5.397 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.514 -1.539 -6.536 1.00 0.00 N ATOM 527 CD2 HIS A 451 -15.766 -1.193 -4.378 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.771 -1.857 -6.178 1.00 0.00 C ATOM 529 NE2 HIS A 451 -16.980 -1.665 -4.873 1.00 0.00 N ATOM 0 H HIS A 451 -12.272 -2.250 -3.709 1.00 0.00 H new ATOM 0 HA HIS A 451 -12.965 -2.419 -6.613 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -13.120 -0.265 -4.459 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.279 0.130 -6.159 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -15.575 -0.931 -3.348 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.521 -2.223 -6.863 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -17.841 -1.828 -4.352 1.00 0.00 H new ATOM 537 N CYS A 452 -10.092 -1.977 -5.718 1.00 0.00 N ATOM 538 CA CYS A 452 -8.722 -1.538 -6.102 1.00 0.00 C ATOM 539 C CYS A 452 -8.367 -2.134 -7.465 1.00 0.00 C ATOM 540 O CYS A 452 -8.167 -3.324 -7.601 1.00 0.00 O ATOM 541 CB CYS A 452 -7.719 -2.021 -5.049 1.00 0.00 C ATOM 542 SG CYS A 452 -6.033 -1.847 -5.686 1.00 0.00 S ATOM 0 H CYS A 452 -10.131 -2.758 -5.063 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.686 -0.450 -6.161 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -7.833 -1.443 -4.132 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -7.917 -3.063 -4.796 1.00 0.00 H new ATOM 0 HG CYS A 452 -5.898 -0.680 -6.243 1.00 0.00 H new ATOM 548 N ILE A 453 -8.286 -1.305 -8.473 1.00 0.00 N ATOM 549 CA ILE A 453 -7.943 -1.792 -9.842 1.00 0.00 C ATOM 550 C ILE A 453 -6.474 -1.484 -10.137 1.00 0.00 C ATOM 551 O ILE A 453 -5.974 -1.776 -11.204 1.00 0.00 O ATOM 552 CB ILE A 453 -8.844 -1.089 -10.862 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.706 0.431 -10.721 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.299 -1.494 -10.617 1.00 0.00 C ATOM 555 CD1 ILE A 453 -9.484 1.121 -11.843 1.00 0.00 C ATOM 0 H ILE A 453 -8.445 -0.300 -8.405 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.098 -2.869 -9.906 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.545 -1.383 -11.868 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -9.084 0.753 -9.751 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.655 0.717 -10.764 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.943 -0.995 -11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.399 -2.574 -10.726 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.593 -1.202 -9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -9.386 2.202 -11.742 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -9.085 0.809 -12.808 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -10.537 0.845 -11.779 1.00 0.00 H new ATOM 567 N GLY A 454 -5.779 -0.893 -9.202 1.00 0.00 N ATOM 568 CA GLY A 454 -4.348 -0.570 -9.445 1.00 0.00 C ATOM 569 C GLY A 454 -3.700 -0.047 -8.163 1.00 0.00 C ATOM 570 O GLY A 454 -4.358 0.177 -7.166 1.00 0.00 O ATOM 0 H GLY A 454 -6.140 -0.622 -8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.821 -1.459 -9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.265 0.177 -10.234 1.00 0.00 H new ATOM 574 N ALA A 455 -2.407 0.150 -8.185 1.00 0.00 N ATOM 575 CA ALA A 455 -1.698 0.659 -6.976 1.00 0.00 C ATOM 576 C ALA A 455 -0.529 1.537 -7.407 1.00 0.00 C ATOM 577 O ALA A 455 0.102 1.288 -8.415 1.00 0.00 O ATOM 578 CB ALA A 455 -1.165 -0.522 -6.162 1.00 0.00 C ATOM 0 H ALA A 455 -1.810 -0.021 -8.994 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.391 1.241 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.647 -0.150 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.996 -1.157 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.472 -1.101 -6.772 1.00 0.00 H new ATOM 584 N LYS A 456 -0.230 2.560 -6.646 1.00 0.00 N ATOM 585 CA LYS A 456 0.911 3.459 -6.998 1.00 0.00 C ATOM 586 C LYS A 456 1.757 3.692 -5.748 1.00 0.00 C ATOM 587 O LYS A 456 1.268 4.153 -4.736 1.00 0.00 O ATOM 588 CB LYS A 456 0.364 4.798 -7.521 1.00 0.00 C ATOM 589 CG LYS A 456 1.411 5.474 -8.412 1.00 0.00 C ATOM 590 CD LYS A 456 0.811 6.726 -9.048 1.00 0.00 C ATOM 591 CE LYS A 456 1.837 7.350 -9.992 1.00 0.00 C ATOM 592 NZ LYS A 456 1.245 8.546 -10.650 1.00 0.00 N ATOM 0 H LYS A 456 -0.729 2.812 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 456 1.525 3.001 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.554 4.631 -8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 456 0.110 5.449 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 456 2.289 5.738 -7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 456 1.744 4.784 -9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 456 -0.097 6.471 -9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 456 0.528 7.441 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 456 2.732 7.633 -9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 456 2.144 6.623 -10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 1.944 8.970 -11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 0.403 8.263 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.973 9.242 -9.926 1.00 0.00 H new ATOM 606 N VAL A 457 3.021 3.363 -5.816 1.00 0.00 N ATOM 607 CA VAL A 457 3.924 3.542 -4.638 1.00 0.00 C ATOM 608 C VAL A 457 5.072 4.489 -4.999 1.00 0.00 C ATOM 609 O VAL A 457 5.720 4.344 -6.016 1.00 0.00 O ATOM 610 CB VAL A 457 4.481 2.178 -4.236 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.456 2.351 -3.071 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.323 1.275 -3.803 1.00 0.00 C ATOM 0 H VAL A 457 3.471 2.974 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 457 3.366 3.973 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 457 5.003 1.728 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 457 5.855 1.378 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.275 3.003 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 457 4.935 2.795 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 457 3.712 0.298 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 457 2.808 1.726 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.624 1.157 -4.631 1.00 0.00 H new ATOM 622 N ASN A 458 5.318 5.457 -4.157 1.00 0.00 N ATOM 623 CA ASN A 458 6.415 6.433 -4.408 1.00 0.00 C ATOM 624 C ASN A 458 6.213 7.104 -5.770 1.00 0.00 C ATOM 625 O ASN A 458 7.137 7.253 -6.543 1.00 0.00 O ATOM 626 CB ASN A 458 7.768 5.716 -4.361 1.00 0.00 C ATOM 627 CG ASN A 458 8.886 6.751 -4.204 1.00 0.00 C ATOM 628 OD1 ASN A 458 8.930 7.727 -4.924 1.00 0.00 O ATOM 629 ND2 ASN A 458 9.789 6.584 -3.275 1.00 0.00 N ATOM 0 H ASN A 458 4.797 5.614 -3.294 1.00 0.00 H new ATOM 0 HA ASN A 458 6.398 7.201 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.790 5.011 -3.530 1.00 0.00 H new ATOM 0 HB3 ASN A 458 7.918 5.138 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 458 10.531 7.274 -3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 458 9.752 5.764 -2.670 1.00 0.00 H new ATOM 636 N HIS A 459 5.004 7.515 -6.057 1.00 0.00 N ATOM 637 CA HIS A 459 4.711 8.190 -7.354 1.00 0.00 C ATOM 638 C HIS A 459 5.145 7.296 -8.512 1.00 0.00 C ATOM 639 O HIS A 459 5.199 7.726 -9.647 1.00 0.00 O ATOM 640 CB HIS A 459 5.452 9.528 -7.429 1.00 0.00 C ATOM 641 CG HIS A 459 4.932 10.445 -6.359 1.00 0.00 C ATOM 642 ND1 HIS A 459 3.663 10.999 -6.414 1.00 0.00 N ATOM 643 CD2 HIS A 459 5.496 10.914 -5.199 1.00 0.00 C ATOM 644 CE1 HIS A 459 3.505 11.761 -5.317 1.00 0.00 C ATOM 645 NE2 HIS A 459 4.593 11.745 -4.542 1.00 0.00 N ATOM 0 H HIS A 459 4.199 7.409 -5.439 1.00 0.00 H new ATOM 0 HA HIS A 459 3.639 8.373 -7.423 1.00 0.00 H new ATOM 0 HB2 HIS A 459 6.523 9.371 -7.300 1.00 0.00 H new ATOM 0 HB3 HIS A 459 5.312 9.980 -8.411 1.00 0.00 H new ATOM 0 HD2 HIS A 459 6.489 10.675 -4.849 1.00 0.00 H new ATOM 0 HE1 HIS A 459 2.608 12.318 -5.090 1.00 0.00 H new ATOM 0 HE2 HIS A 459 4.732 12.236 -3.659 1.00 0.00 H new ATOM 653 N LYS A 460 5.447 6.051 -8.233 1.00 0.00 N ATOM 654 CA LYS A 460 5.875 5.106 -9.311 1.00 0.00 C ATOM 655 C LYS A 460 4.837 3.994 -9.452 1.00 0.00 C ATOM 656 O LYS A 460 4.395 3.411 -8.483 1.00 0.00 O ATOM 657 CB LYS A 460 7.232 4.504 -8.951 1.00 0.00 C ATOM 658 CG LYS A 460 7.699 3.593 -10.088 1.00 0.00 C ATOM 659 CD LYS A 460 9.092 3.054 -9.772 1.00 0.00 C ATOM 660 CE LYS A 460 9.562 2.156 -10.916 1.00 0.00 C ATOM 661 NZ LYS A 460 10.931 1.650 -10.618 1.00 0.00 N ATOM 0 H LYS A 460 5.415 5.646 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 460 5.959 5.642 -10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.961 5.297 -8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.157 3.937 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 460 6.999 2.767 -10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.716 4.146 -11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.790 3.879 -9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.073 2.492 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 460 8.873 1.321 -11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 460 9.564 2.713 -11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 11.252 1.039 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 11.584 2.453 -10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 10.914 1.104 -9.733 1.00 0.00 H new ATOM 675 N LEU A 461 4.441 3.710 -10.659 1.00 0.00 N ATOM 676 CA LEU A 461 3.424 2.650 -10.890 1.00 0.00 C ATOM 677 C LEU A 461 4.008 1.279 -10.547 1.00 0.00 C ATOM 678 O LEU A 461 5.114 0.952 -10.927 1.00 0.00 O ATOM 679 CB LEU A 461 2.998 2.679 -12.364 1.00 0.00 C ATOM 680 CG LEU A 461 2.019 1.531 -12.660 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.815 1.605 -11.710 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.540 1.646 -14.112 1.00 0.00 C ATOM 0 H LEU A 461 4.781 4.171 -11.503 1.00 0.00 H new ATOM 0 HA LEU A 461 2.559 2.831 -10.252 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.528 3.635 -12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 461 3.875 2.592 -13.005 1.00 0.00 H new ATOM 0 HG LEU A 461 2.524 0.576 -12.511 1.00 0.00 H new ATOM 0 HD11 LEU A 461 0.128 0.787 -11.929 1.00 0.00 H new ATOM 0 HD12 LEU A 461 1.159 1.524 -10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.301 2.557 -11.847 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.845 0.835 -14.331 1.00 0.00 H new ATOM 0 HD22 LEU A 461 1.038 2.603 -14.255 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.396 1.581 -14.784 1.00 0.00 H new ATOM 694 N VAL A 462 3.261 0.467 -9.842 1.00 0.00 N ATOM 695 CA VAL A 462 3.761 -0.893 -9.483 1.00 0.00 C ATOM 696 C VAL A 462 2.583 -1.881 -9.456 1.00 0.00 C ATOM 697 O VAL A 462 1.460 -1.503 -9.184 1.00 0.00 O ATOM 698 CB VAL A 462 4.417 -0.843 -8.100 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.814 -0.233 -8.222 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.566 0.016 -7.161 1.00 0.00 C ATOM 0 H VAL A 462 2.326 0.688 -9.500 1.00 0.00 H new ATOM 0 HA VAL A 462 4.492 -1.220 -10.222 1.00 0.00 H new ATOM 0 HB VAL A 462 4.494 -1.853 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.282 -0.197 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.421 -0.844 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.736 0.777 -8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 462 4.033 0.051 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.488 1.026 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.570 -0.417 -7.074 1.00 0.00 H new ATOM 710 N PRO A 463 2.838 -3.140 -9.727 1.00 0.00 N ATOM 711 CA PRO A 463 1.777 -4.192 -9.721 1.00 0.00 C ATOM 712 C PRO A 463 1.224 -4.455 -8.313 1.00 0.00 C ATOM 713 O PRO A 463 1.827 -4.104 -7.317 1.00 0.00 O ATOM 714 CB PRO A 463 2.484 -5.439 -10.284 1.00 0.00 C ATOM 715 CG PRO A 463 3.941 -5.216 -10.032 1.00 0.00 C ATOM 716 CD PRO A 463 4.157 -3.702 -10.080 1.00 0.00 C ATOM 0 HA PRO A 463 0.908 -3.895 -10.309 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.134 -6.346 -9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.283 -5.558 -11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.235 -5.620 -9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.548 -5.720 -10.785 1.00 0.00 H new ATOM 0 HD2 PRO A 463 4.927 -3.386 -9.376 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.478 -3.376 -11.069 1.00 0.00 H new ATOM 724 N LEU A 464 0.072 -5.061 -8.236 1.00 0.00 N ATOM 725 CA LEU A 464 -0.554 -5.351 -6.916 1.00 0.00 C ATOM 726 C LEU A 464 0.343 -6.306 -6.120 1.00 0.00 C ATOM 727 O LEU A 464 0.480 -6.186 -4.919 1.00 0.00 O ATOM 728 CB LEU A 464 -1.923 -6.003 -7.149 1.00 0.00 C ATOM 729 CG LEU A 464 -2.960 -4.925 -7.481 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.563 -4.215 -8.779 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.334 -5.577 -7.657 1.00 0.00 C ATOM 0 H LEU A 464 -0.469 -5.372 -9.043 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.677 -4.426 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.859 -6.723 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.230 -6.555 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 464 -3.002 -4.199 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.301 -3.448 -9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.584 -3.751 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.521 -4.940 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -5.073 -4.811 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.291 -6.303 -8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.618 -6.082 -6.734 1.00 0.00 H new ATOM 743 N SER A 465 0.942 -7.260 -6.776 1.00 0.00 N ATOM 744 CA SER A 465 1.815 -8.227 -6.056 1.00 0.00 C ATOM 745 C SER A 465 3.138 -7.545 -5.696 1.00 0.00 C ATOM 746 O SER A 465 4.068 -8.176 -5.236 1.00 0.00 O ATOM 747 CB SER A 465 2.089 -9.428 -6.964 1.00 0.00 C ATOM 748 OG SER A 465 0.865 -10.101 -7.232 1.00 0.00 O ATOM 0 H SER A 465 0.864 -7.412 -7.782 1.00 0.00 H new ATOM 0 HA SER A 465 1.321 -8.563 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 465 2.548 -9.097 -7.896 1.00 0.00 H new ATOM 0 HB3 SER A 465 2.794 -10.108 -6.485 1.00 0.00 H new ATOM 0 HG SER A 465 1.035 -10.870 -7.815 1.00 0.00 H new ATOM 754 N TYR A 466 3.227 -6.261 -5.910 1.00 0.00 N ATOM 755 CA TYR A 466 4.486 -5.532 -5.592 1.00 0.00 C ATOM 756 C TYR A 466 4.694 -5.462 -4.076 1.00 0.00 C ATOM 757 O TYR A 466 3.789 -5.163 -3.324 1.00 0.00 O ATOM 758 CB TYR A 466 4.410 -4.114 -6.158 1.00 0.00 C ATOM 759 CG TYR A 466 5.681 -3.375 -5.818 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.848 -3.622 -6.551 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.696 -2.449 -4.768 1.00 0.00 C ATOM 762 CE1 TYR A 466 8.029 -2.940 -6.235 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.877 -1.767 -4.454 1.00 0.00 C ATOM 764 CZ TYR A 466 8.043 -2.013 -5.188 1.00 0.00 C ATOM 765 OH TYR A 466 9.208 -1.343 -4.876 1.00 0.00 O ATOM 0 H TYR A 466 2.478 -5.684 -6.293 1.00 0.00 H new ATOM 0 HA TYR A 466 5.324 -6.066 -6.040 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.273 -4.148 -7.239 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.549 -3.590 -5.744 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.837 -4.338 -7.359 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.796 -2.261 -4.201 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.930 -3.130 -6.800 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.889 -1.051 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 466 9.045 -0.735 -4.125 1.00 0.00 H new ATOM 775 N VAL A 467 5.891 -5.736 -3.631 1.00 0.00 N ATOM 776 CA VAL A 467 6.184 -5.691 -2.171 1.00 0.00 C ATOM 777 C VAL A 467 6.336 -4.237 -1.716 1.00 0.00 C ATOM 778 O VAL A 467 7.036 -3.454 -2.326 1.00 0.00 O ATOM 779 CB VAL A 467 7.480 -6.455 -1.904 1.00 0.00 C ATOM 780 CG1 VAL A 467 7.711 -6.565 -0.396 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.370 -7.858 -2.508 1.00 0.00 C ATOM 0 H VAL A 467 6.683 -5.991 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 467 5.365 -6.149 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 467 8.317 -5.924 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 467 8.636 -7.110 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 467 7.785 -5.566 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 467 6.877 -7.097 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.292 -8.408 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.533 -8.386 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.206 -7.780 -3.583 1.00 0.00 H new ATOM 791 N LEU A 468 5.673 -3.872 -0.653 1.00 0.00 N ATOM 792 CA LEU A 468 5.760 -2.469 -0.157 1.00 0.00 C ATOM 793 C LEU A 468 7.099 -2.235 0.537 1.00 0.00 C ATOM 794 O LEU A 468 7.629 -3.109 1.196 1.00 0.00 O ATOM 795 CB LEU A 468 4.625 -2.220 0.836 1.00 0.00 C ATOM 796 CG LEU A 468 3.283 -2.555 0.178 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.157 -2.344 1.195 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.054 -1.651 -1.044 1.00 0.00 C ATOM 0 H LEU A 468 5.072 -4.488 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 468 5.676 -1.785 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.767 -2.832 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.633 -1.179 1.159 1.00 0.00 H new ATOM 0 HG LEU A 468 3.292 -3.594 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.199 -2.581 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.316 -2.996 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.154 -1.305 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.097 -1.897 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.047 -0.608 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.855 -1.806 -1.767 1.00 0.00 H new ATOM 810 N ASN A 469 7.642 -1.049 0.398 1.00 0.00 N ATOM 811 CA ASN A 469 8.948 -0.713 1.048 1.00 0.00 C ATOM 812 C ASN A 469 8.731 0.395 2.079 1.00 0.00 C ATOM 813 O ASN A 469 7.870 1.239 1.930 1.00 0.00 O ATOM 814 CB ASN A 469 9.937 -0.234 -0.014 1.00 0.00 C ATOM 815 CG ASN A 469 10.399 -1.424 -0.855 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.249 -2.561 -0.454 1.00 0.00 O ATOM 817 ND2 ASN A 469 10.960 -1.210 -2.012 1.00 0.00 N ATOM 0 H ASN A 469 7.230 -0.290 -0.145 1.00 0.00 H new ATOM 0 HA ASN A 469 9.347 -1.598 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.468 0.515 -0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.794 0.244 0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 469 11.273 -1.997 -2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 469 11.086 -0.256 -2.349 1.00 0.00 H new ATOM 824 N SER A 470 9.500 0.380 3.130 1.00 0.00 N ATOM 825 CA SER A 470 9.348 1.408 4.198 1.00 0.00 C ATOM 826 C SER A 470 9.703 2.804 3.678 1.00 0.00 C ATOM 827 O SER A 470 10.493 2.964 2.769 1.00 0.00 O ATOM 828 CB SER A 470 10.276 1.052 5.357 1.00 0.00 C ATOM 829 OG SER A 470 11.626 1.192 4.936 1.00 0.00 O ATOM 0 H SER A 470 10.235 -0.307 3.297 1.00 0.00 H new ATOM 0 HA SER A 470 8.309 1.421 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 470 10.079 1.703 6.209 1.00 0.00 H new ATOM 0 HB3 SER A 470 10.090 0.030 5.687 1.00 0.00 H new ATOM 0 HG SER A 470 12.225 0.966 5.678 1.00 0.00 H new ATOM 835 N GLY A 471 9.127 3.816 4.276 1.00 0.00 N ATOM 836 CA GLY A 471 9.418 5.215 3.856 1.00 0.00 C ATOM 837 C GLY A 471 8.586 5.574 2.625 1.00 0.00 C ATOM 838 O GLY A 471 8.085 6.672 2.502 1.00 0.00 O ATOM 0 H GLY A 471 8.462 3.729 5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.192 5.903 4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.479 5.323 3.632 1.00 0.00 H new ATOM 842 N ASP A 472 8.447 4.660 1.707 1.00 0.00 N ATOM 843 CA ASP A 472 7.665 4.948 0.472 1.00 0.00 C ATOM 844 C ASP A 472 6.177 5.093 0.787 1.00 0.00 C ATOM 845 O ASP A 472 5.632 4.410 1.631 1.00 0.00 O ATOM 846 CB ASP A 472 7.866 3.812 -0.531 1.00 0.00 C ATOM 847 CG ASP A 472 9.283 3.885 -1.102 1.00 0.00 C ATOM 848 OD1 ASP A 472 9.926 4.905 -0.912 1.00 0.00 O ATOM 849 OD2 ASP A 472 9.703 2.920 -1.717 1.00 0.00 O ATOM 0 H ASP A 472 8.843 3.721 1.759 1.00 0.00 H new ATOM 0 HA ASP A 472 8.020 5.888 0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.707 2.850 -0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 472 7.134 3.888 -1.335 1.00 0.00 H new ATOM 854 N GLN A 473 5.518 5.980 0.091 1.00 0.00 N ATOM 855 CA GLN A 473 4.062 6.193 0.310 1.00 0.00 C ATOM 856 C GLN A 473 3.284 5.188 -0.538 1.00 0.00 C ATOM 857 O GLN A 473 3.681 4.861 -1.640 1.00 0.00 O ATOM 858 CB GLN A 473 3.705 7.618 -0.122 1.00 0.00 C ATOM 859 CG GLN A 473 2.255 7.938 0.253 1.00 0.00 C ATOM 860 CD GLN A 473 1.302 7.275 -0.744 1.00 0.00 C ATOM 861 OE1 GLN A 473 1.697 6.914 -1.833 1.00 0.00 O ATOM 862 NE2 GLN A 473 0.051 7.108 -0.414 1.00 0.00 N ATOM 0 H GLN A 473 5.934 6.572 -0.628 1.00 0.00 H new ATOM 0 HA GLN A 473 3.810 6.055 1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.377 8.330 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 473 3.842 7.724 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 473 2.044 7.584 1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.100 9.017 0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 473 -0.280 7.412 0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 473 -0.596 6.674 -1.072 1.00 0.00 H new ATOM 871 N VAL A 474 2.187 4.687 -0.028 1.00 0.00 N ATOM 872 CA VAL A 474 1.378 3.685 -0.789 1.00 0.00 C ATOM 873 C VAL A 474 -0.002 4.259 -1.101 1.00 0.00 C ATOM 874 O VAL A 474 -0.672 4.794 -0.241 1.00 0.00 O ATOM 875 CB VAL A 474 1.227 2.424 0.059 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.394 1.390 -0.699 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.615 1.850 0.344 1.00 0.00 C ATOM 0 H VAL A 474 1.814 4.931 0.890 1.00 0.00 H new ATOM 0 HA VAL A 474 1.881 3.445 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 474 0.726 2.669 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.288 0.492 -0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.592 1.802 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 474 0.891 1.138 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.519 0.949 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 474 3.107 1.604 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.210 2.587 0.883 1.00 0.00 H new ATOM 887 N GLU A 475 -0.428 4.138 -2.332 1.00 0.00 N ATOM 888 CA GLU A 475 -1.768 4.658 -2.733 1.00 0.00 C ATOM 889 C GLU A 475 -2.477 3.604 -3.582 1.00 0.00 C ATOM 890 O GLU A 475 -1.859 2.909 -4.365 1.00 0.00 O ATOM 891 CB GLU A 475 -1.594 5.940 -3.548 1.00 0.00 C ATOM 892 CG GLU A 475 -2.971 6.495 -3.916 1.00 0.00 C ATOM 893 CD GLU A 475 -2.809 7.819 -4.661 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.723 8.373 -4.617 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.775 8.260 -5.261 1.00 0.00 O ATOM 0 H GLU A 475 0.102 3.696 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.361 4.875 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -1.034 6.677 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -1.018 5.736 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.508 5.779 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.567 6.644 -3.015 1.00 0.00 H new ATOM 902 N VAL A 476 -3.772 3.481 -3.428 1.00 0.00 N ATOM 903 CA VAL A 476 -4.549 2.470 -4.214 1.00 0.00 C ATOM 904 C VAL A 476 -5.433 3.173 -5.242 1.00 0.00 C ATOM 905 O VAL A 476 -6.104 4.142 -4.945 1.00 0.00 O ATOM 906 CB VAL A 476 -5.410 1.638 -3.263 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.507 0.706 -2.457 1.00 0.00 C ATOM 908 CG2 VAL A 476 -6.168 2.559 -2.303 1.00 0.00 C ATOM 0 H VAL A 476 -4.330 4.043 -2.785 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.856 1.813 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 476 -6.127 1.056 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.115 0.109 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -3.968 0.045 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.794 1.297 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.779 1.959 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.456 3.145 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.810 3.230 -2.874 1.00 0.00 H new ATOM 918 N LEU A 477 -5.429 2.690 -6.458 1.00 0.00 N ATOM 919 CA LEU A 477 -6.258 3.323 -7.525 1.00 0.00 C ATOM 920 C LEU A 477 -7.639 2.673 -7.542 1.00 0.00 C ATOM 921 O LEU A 477 -7.802 1.540 -7.946 1.00 0.00 O ATOM 922 CB LEU A 477 -5.576 3.109 -8.879 1.00 0.00 C ATOM 923 CG LEU A 477 -4.151 3.677 -8.840 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.468 3.423 -10.187 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.192 5.189 -8.557 1.00 0.00 C ATOM 0 H LEU A 477 -4.885 1.881 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.362 4.390 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.547 2.046 -9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -6.150 3.597 -9.667 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.590 3.185 -8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.455 3.825 -10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.428 2.351 -10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -4.034 3.912 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.176 5.582 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.756 5.691 -9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.674 5.366 -7.595 1.00 0.00 H new ATOM 937 N SER A 478 -8.634 3.389 -7.099 1.00 0.00 N ATOM 938 CA SER A 478 -10.014 2.832 -7.075 1.00 0.00 C ATOM 939 C SER A 478 -10.673 3.022 -8.442 1.00 0.00 C ATOM 940 O SER A 478 -10.168 3.723 -9.296 1.00 0.00 O ATOM 941 CB SER A 478 -10.827 3.561 -6.006 1.00 0.00 C ATOM 942 OG SER A 478 -10.683 4.964 -6.183 1.00 0.00 O ATOM 0 H SER A 478 -8.549 4.344 -6.750 1.00 0.00 H new ATOM 0 HA SER A 478 -9.975 1.767 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 478 -11.878 3.280 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 478 -10.486 3.271 -5.012 1.00 0.00 H new ATOM 0 HG SER A 478 -11.205 5.435 -5.500 1.00 0.00 H new