USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 837 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 527 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 529 HIS : no HD1:sc= -5.28! C(o=-5.3!,f=-6.3!) USER MOD Set 2.1: A 518 LYS NZ :NH3+ -123:sc= 1.05 (180deg=-0.0702) USER MOD Set 2.2: A 522 ASN : amide:sc= 0.592 K(o=1.6,f=-13!) USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 451 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 454 GLN : amide:sc= -0.0316 K(o=-0.032,f=-1) USER MOD Single : A 457 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 LYS NZ :NH3+ 154:sc= -0.098 (180deg=-0.481) USER MOD Single : A 459 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 460 THR OG1 : rot 180:sc= 0 USER MOD Single : A 461 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 462 SER OG : rot 49:sc= 0.638 USER MOD Single : A 463 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0677) USER MOD Single : A 468 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 472 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.7!) USER MOD Single : A 474 ASN : amide:sc=-0.00886 K(o=-0.0089,f=-0.96) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 180:sc= 0 USER MOD Single : A 489 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.942) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 495 LYS NZ :NH3+ -121:sc=-0.00903 (180deg=-0.159) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 MET CE :methyl 168:sc= 0 (180deg=-0.221) USER MOD Single : A 498 THR OG1 : rot 25:sc= 0.567 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HE2:sc= -2.52! C(o=-2.5!,f=-4.8!) USER MOD Single : A 513 THR OG1 : rot 180:sc= 0 USER MOD Single : A 514 LYS NZ :NH3+ 151:sc= -0.364 (180deg=-1.4!) USER MOD Single : A 515 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 525 CYS SG : rot 180:sc= -0.247 USER MOD Single : A 526 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 528 THR OG1 : rot 61:sc= 0.941 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0 USER MOD Single : A 547 GLN : amide:sc= -2.46 K(o=-2.5,f=-4.8!) USER MOD Single : A 548 SER OG : rot 180:sc= 0 USER MOD Single : A 551 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 552 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 447 -10.108 -17.504 -20.976 1.00 0.00 N ATOM 2 CA GLY A 447 -9.742 -16.099 -20.998 1.00 0.00 C ATOM 3 C GLY A 447 -8.402 -15.859 -21.664 1.00 0.00 C ATOM 4 O GLY A 447 -7.436 -16.578 -21.406 1.00 0.00 O ATOM 0 HA2 GLY A 447 -10.512 -15.534 -21.524 1.00 0.00 H new ATOM 0 HA3 GLY A 447 -9.710 -15.719 -19.977 1.00 0.00 H new ATOM 8 N SER A 448 -8.342 -14.847 -22.523 1.00 0.00 N ATOM 9 CA SER A 448 -7.111 -14.518 -23.232 1.00 0.00 C ATOM 10 C SER A 448 -7.053 -13.028 -23.556 1.00 0.00 C ATOM 11 O SER A 448 -8.079 -12.393 -23.797 1.00 0.00 O ATOM 12 CB SER A 448 -7.005 -15.336 -24.520 1.00 0.00 C ATOM 13 OG SER A 448 -5.779 -15.084 -25.185 1.00 0.00 O ATOM 0 H SER A 448 -9.131 -14.241 -22.745 1.00 0.00 H new ATOM 0 HA SER A 448 -6.270 -14.764 -22.584 1.00 0.00 H new ATOM 0 HB2 SER A 448 -7.085 -16.398 -24.288 1.00 0.00 H new ATOM 0 HB3 SER A 448 -7.837 -15.091 -25.180 1.00 0.00 H new ATOM 0 HG SER A 448 -5.735 -15.620 -26.004 1.00 0.00 H new ATOM 19 N SER A 449 -5.843 -12.476 -23.559 1.00 0.00 N ATOM 20 CA SER A 449 -5.650 -11.060 -23.849 1.00 0.00 C ATOM 21 C SER A 449 -5.539 -10.824 -25.352 1.00 0.00 C ATOM 22 O SER A 449 -5.341 -11.760 -26.126 1.00 0.00 O ATOM 23 CB SER A 449 -4.394 -10.541 -23.145 1.00 0.00 C ATOM 24 OG SER A 449 -4.446 -10.799 -21.753 1.00 0.00 O ATOM 0 H SER A 449 -4.983 -12.988 -23.364 1.00 0.00 H new ATOM 0 HA SER A 449 -6.518 -10.516 -23.477 1.00 0.00 H new ATOM 0 HB2 SER A 449 -3.511 -11.016 -23.573 1.00 0.00 H new ATOM 0 HB3 SER A 449 -4.294 -9.469 -23.316 1.00 0.00 H new ATOM 0 HG SER A 449 -3.632 -10.459 -21.327 1.00 0.00 H new ATOM 30 N GLY A 450 -5.667 -9.565 -25.758 1.00 0.00 N ATOM 31 CA GLY A 450 -5.579 -9.226 -27.166 1.00 0.00 C ATOM 32 C GLY A 450 -5.211 -7.773 -27.392 1.00 0.00 C ATOM 33 O GLY A 450 -5.824 -7.091 -28.213 1.00 0.00 O ATOM 0 H GLY A 450 -5.830 -8.773 -25.136 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -4.836 -9.864 -27.644 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -6.535 -9.434 -27.647 1.00 0.00 H new ATOM 37 N SER A 451 -4.209 -7.298 -26.660 1.00 0.00 N ATOM 38 CA SER A 451 -3.764 -5.914 -26.780 1.00 0.00 C ATOM 39 C SER A 451 -2.241 -5.831 -26.772 1.00 0.00 C ATOM 40 O SER A 451 -1.575 -6.514 -25.993 1.00 0.00 O ATOM 41 CB SER A 451 -4.338 -5.071 -25.640 1.00 0.00 C ATOM 42 OG SER A 451 -3.853 -5.513 -24.384 1.00 0.00 O ATOM 0 H SER A 451 -3.690 -7.850 -25.978 1.00 0.00 H new ATOM 0 HA SER A 451 -4.127 -5.522 -27.730 1.00 0.00 H new ATOM 0 HB2 SER A 451 -4.072 -4.024 -25.788 1.00 0.00 H new ATOM 0 HB3 SER A 451 -5.426 -5.128 -25.654 1.00 0.00 H new ATOM 0 HG SER A 451 -4.233 -4.957 -23.672 1.00 0.00 H new ATOM 48 N SER A 452 -1.696 -4.989 -27.644 1.00 0.00 N ATOM 49 CA SER A 452 -0.251 -4.818 -27.741 1.00 0.00 C ATOM 50 C SER A 452 0.367 -4.625 -26.359 1.00 0.00 C ATOM 51 O SER A 452 1.196 -5.422 -25.921 1.00 0.00 O ATOM 52 CB SER A 452 0.083 -3.621 -28.633 1.00 0.00 C ATOM 53 OG SER A 452 0.066 -3.985 -30.002 1.00 0.00 O ATOM 0 H SER A 452 -2.233 -4.415 -28.293 1.00 0.00 H new ATOM 0 HA SER A 452 0.168 -5.721 -28.185 1.00 0.00 H new ATOM 0 HB2 SER A 452 -0.636 -2.821 -28.457 1.00 0.00 H new ATOM 0 HB3 SER A 452 1.066 -3.230 -28.370 1.00 0.00 H new ATOM 0 HG SER A 452 0.281 -3.202 -30.551 1.00 0.00 H new ATOM 59 N GLY A 453 -0.043 -3.560 -25.677 1.00 0.00 N ATOM 60 CA GLY A 453 0.480 -3.281 -24.353 1.00 0.00 C ATOM 61 C GLY A 453 1.984 -3.090 -24.352 1.00 0.00 C ATOM 62 O GLY A 453 2.684 -3.640 -23.502 1.00 0.00 O ATOM 0 H GLY A 453 -0.728 -2.886 -26.018 1.00 0.00 H new ATOM 0 HA2 GLY A 453 0.003 -2.384 -23.959 1.00 0.00 H new ATOM 0 HA3 GLY A 453 0.221 -4.101 -23.683 1.00 0.00 H new ATOM 66 N GLN A 454 2.481 -2.311 -25.307 1.00 0.00 N ATOM 67 CA GLN A 454 3.912 -2.052 -25.413 1.00 0.00 C ATOM 68 C GLN A 454 4.217 -0.577 -25.178 1.00 0.00 C ATOM 69 O GLN A 454 3.915 0.272 -26.018 1.00 0.00 O ATOM 70 CB GLN A 454 4.428 -2.479 -26.788 1.00 0.00 C ATOM 71 CG GLN A 454 4.141 -3.935 -27.121 1.00 0.00 C ATOM 72 CD GLN A 454 5.071 -4.892 -26.400 1.00 0.00 C ATOM 73 OE1 GLN A 454 6.244 -4.590 -26.182 1.00 0.00 O ATOM 74 NE2 GLN A 454 4.549 -6.054 -26.025 1.00 0.00 N ATOM 0 H GLN A 454 1.914 -1.848 -26.018 1.00 0.00 H new ATOM 0 HA GLN A 454 4.419 -2.636 -24.645 1.00 0.00 H new ATOM 0 HB2 GLN A 454 3.975 -1.845 -27.550 1.00 0.00 H new ATOM 0 HB3 GLN A 454 5.504 -2.310 -26.831 1.00 0.00 H new ATOM 0 HG2 GLN A 454 3.110 -4.168 -26.857 1.00 0.00 H new ATOM 0 HG3 GLN A 454 4.236 -4.083 -28.197 1.00 0.00 H new ATOM 0 HE21 GLN A 454 3.571 -6.263 -26.227 1.00 0.00 H new ATOM 0 HE22 GLN A 454 5.126 -6.738 -25.535 1.00 0.00 H new ATOM 83 N VAL A 455 4.818 -0.277 -24.031 1.00 0.00 N ATOM 84 CA VAL A 455 5.165 1.096 -23.685 1.00 0.00 C ATOM 85 C VAL A 455 6.639 1.214 -23.315 1.00 0.00 C ATOM 86 O VAL A 455 7.253 0.277 -22.805 1.00 0.00 O ATOM 87 CB VAL A 455 4.309 1.614 -22.514 1.00 0.00 C ATOM 88 CG1 VAL A 455 2.848 1.716 -22.924 1.00 0.00 C ATOM 89 CG2 VAL A 455 4.470 0.713 -21.299 1.00 0.00 C ATOM 0 H VAL A 455 5.075 -0.967 -23.325 1.00 0.00 H new ATOM 0 HA VAL A 455 4.965 1.704 -24.567 1.00 0.00 H new ATOM 0 HB VAL A 455 4.655 2.612 -22.246 1.00 0.00 H new ATOM 0 HG11 VAL A 455 2.259 2.084 -22.084 1.00 0.00 H new ATOM 0 HG12 VAL A 455 2.753 2.405 -23.763 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.484 0.732 -23.220 1.00 0.00 H new ATOM 0 HG21 VAL A 455 3.859 1.093 -20.481 1.00 0.00 H new ATOM 0 HG22 VAL A 455 4.151 -0.298 -21.551 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.516 0.698 -20.993 1.00 0.00 H new ATOM 99 N PRO A 456 7.222 2.394 -23.576 1.00 0.00 N ATOM 100 CA PRO A 456 8.632 2.663 -23.276 1.00 0.00 C ATOM 101 C PRO A 456 8.900 2.751 -21.778 1.00 0.00 C ATOM 102 O PRO A 456 10.026 3.008 -21.352 1.00 0.00 O ATOM 103 CB PRO A 456 8.884 4.017 -23.945 1.00 0.00 C ATOM 104 CG PRO A 456 7.545 4.668 -23.998 1.00 0.00 C ATOM 105 CD PRO A 456 6.550 3.555 -24.182 1.00 0.00 C ATOM 0 HA PRO A 456 9.284 1.866 -23.634 1.00 0.00 H new ATOM 0 HB2 PRO A 456 9.593 4.616 -23.373 1.00 0.00 H new ATOM 0 HB3 PRO A 456 9.304 3.893 -24.943 1.00 0.00 H new ATOM 0 HG2 PRO A 456 7.344 5.223 -23.082 1.00 0.00 H new ATOM 0 HG3 PRO A 456 7.490 5.381 -24.821 1.00 0.00 H new ATOM 0 HD2 PRO A 456 5.604 3.775 -23.687 1.00 0.00 H new ATOM 0 HD3 PRO A 456 6.327 3.386 -25.235 1.00 0.00 H new ATOM 113 N LYS A 457 7.858 2.534 -20.981 1.00 0.00 N ATOM 114 CA LYS A 457 7.981 2.587 -19.529 1.00 0.00 C ATOM 115 C LYS A 457 8.450 1.246 -18.974 1.00 0.00 C ATOM 116 O LYS A 457 9.405 1.183 -18.200 1.00 0.00 O ATOM 117 CB LYS A 457 6.641 2.971 -18.898 1.00 0.00 C ATOM 118 CG LYS A 457 6.268 4.429 -19.104 1.00 0.00 C ATOM 119 CD LYS A 457 4.937 4.761 -18.451 1.00 0.00 C ATOM 120 CE LYS A 457 5.108 5.107 -16.979 1.00 0.00 C ATOM 121 NZ LYS A 457 3.868 5.692 -16.399 1.00 0.00 N ATOM 0 H LYS A 457 6.919 2.320 -21.317 1.00 0.00 H new ATOM 0 HA LYS A 457 8.724 3.344 -19.279 1.00 0.00 H new ATOM 0 HB2 LYS A 457 5.857 2.341 -19.318 1.00 0.00 H new ATOM 0 HB3 LYS A 457 6.679 2.762 -17.829 1.00 0.00 H new ATOM 0 HG2 LYS A 457 7.048 5.067 -18.688 1.00 0.00 H new ATOM 0 HG3 LYS A 457 6.215 4.645 -20.171 1.00 0.00 H new ATOM 0 HD2 LYS A 457 4.475 5.600 -18.971 1.00 0.00 H new ATOM 0 HD3 LYS A 457 4.260 3.912 -18.550 1.00 0.00 H new ATOM 0 HE2 LYS A 457 5.380 4.209 -16.424 1.00 0.00 H new ATOM 0 HE3 LYS A 457 5.930 5.813 -16.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 457 4.025 5.914 -15.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 457 3.622 6.563 -16.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 457 3.089 5.008 -16.484 1.00 0.00 H new ATOM 135 N LYS A 458 7.774 0.175 -19.376 1.00 0.00 N ATOM 136 CA LYS A 458 8.123 -1.166 -18.921 1.00 0.00 C ATOM 137 C LYS A 458 8.655 -1.135 -17.492 1.00 0.00 C ATOM 138 O LYS A 458 9.623 -1.821 -17.165 1.00 0.00 O ATOM 139 CB LYS A 458 9.167 -1.787 -19.851 1.00 0.00 C ATOM 140 CG LYS A 458 10.484 -1.030 -19.878 1.00 0.00 C ATOM 141 CD LYS A 458 10.504 0.017 -20.978 1.00 0.00 C ATOM 142 CE LYS A 458 11.911 0.239 -21.512 1.00 0.00 C ATOM 143 NZ LYS A 458 12.432 -0.964 -22.218 1.00 0.00 N ATOM 0 H LYS A 458 6.981 0.210 -20.016 1.00 0.00 H new ATOM 0 HA LYS A 458 7.219 -1.775 -18.941 1.00 0.00 H new ATOM 0 HB2 LYS A 458 9.354 -2.814 -19.539 1.00 0.00 H new ATOM 0 HB3 LYS A 458 8.761 -1.830 -20.862 1.00 0.00 H new ATOM 0 HG2 LYS A 458 10.648 -0.549 -18.914 1.00 0.00 H new ATOM 0 HG3 LYS A 458 11.305 -1.732 -20.028 1.00 0.00 H new ATOM 0 HD2 LYS A 458 9.850 -0.297 -21.792 1.00 0.00 H new ATOM 0 HD3 LYS A 458 10.107 0.957 -20.594 1.00 0.00 H new ATOM 0 HE2 LYS A 458 11.911 1.089 -22.194 1.00 0.00 H new ATOM 0 HE3 LYS A 458 12.577 0.493 -20.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 13.145 -0.674 -22.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 12.867 -1.610 -21.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 11.649 -1.449 -22.701 1.00 0.00 H new ATOM 157 N GLN A 459 8.015 -0.335 -16.644 1.00 0.00 N ATOM 158 CA GLN A 459 8.424 -0.216 -15.250 1.00 0.00 C ATOM 159 C GLN A 459 7.313 -0.683 -14.315 1.00 0.00 C ATOM 160 O GLN A 459 6.146 -0.333 -14.496 1.00 0.00 O ATOM 161 CB GLN A 459 8.802 1.231 -14.929 1.00 0.00 C ATOM 162 CG GLN A 459 9.096 1.471 -13.457 1.00 0.00 C ATOM 163 CD GLN A 459 10.528 1.140 -13.086 1.00 0.00 C ATOM 164 OE1 GLN A 459 10.953 -0.013 -13.172 1.00 0.00 O ATOM 165 NE2 GLN A 459 11.282 2.151 -12.672 1.00 0.00 N ATOM 0 H GLN A 459 7.212 0.240 -16.899 1.00 0.00 H new ATOM 0 HA GLN A 459 9.295 -0.854 -15.097 1.00 0.00 H new ATOM 0 HB2 GLN A 459 9.678 1.508 -15.516 1.00 0.00 H new ATOM 0 HB3 GLN A 459 7.990 1.888 -15.240 1.00 0.00 H new ATOM 0 HG2 GLN A 459 8.894 2.515 -13.216 1.00 0.00 H new ATOM 0 HG3 GLN A 459 8.419 0.867 -12.852 1.00 0.00 H new ATOM 0 HE21 GLN A 459 10.889 3.091 -12.616 1.00 0.00 H new ATOM 0 HE22 GLN A 459 12.254 1.988 -12.410 1.00 0.00 H new ATOM 174 N THR A 460 7.683 -1.476 -13.314 1.00 0.00 N ATOM 175 CA THR A 460 6.719 -1.992 -12.351 1.00 0.00 C ATOM 176 C THR A 460 6.622 -1.085 -11.130 1.00 0.00 C ATOM 177 O THR A 460 7.553 -1.003 -10.329 1.00 0.00 O ATOM 178 CB THR A 460 7.090 -3.415 -11.892 1.00 0.00 C ATOM 179 OG1 THR A 460 7.308 -4.256 -13.030 1.00 0.00 O ATOM 180 CG2 THR A 460 5.992 -4.006 -11.021 1.00 0.00 C ATOM 0 H THR A 460 8.644 -1.775 -13.149 1.00 0.00 H new ATOM 0 HA THR A 460 5.753 -2.021 -12.855 1.00 0.00 H new ATOM 0 HB THR A 460 8.006 -3.356 -11.304 1.00 0.00 H new ATOM 0 HG1 THR A 460 7.545 -5.158 -12.729 1.00 0.00 H new ATOM 0 HG21 THR A 460 6.276 -5.011 -10.709 1.00 0.00 H new ATOM 0 HG22 THR A 460 5.849 -3.379 -10.141 1.00 0.00 H new ATOM 0 HG23 THR A 460 5.062 -4.052 -11.588 1.00 0.00 H new ATOM 188 N THR A 461 5.487 -0.405 -10.992 1.00 0.00 N ATOM 189 CA THR A 461 5.269 0.496 -9.868 1.00 0.00 C ATOM 190 C THR A 461 5.400 -0.239 -8.539 1.00 0.00 C ATOM 191 O THR A 461 5.214 -1.454 -8.471 1.00 0.00 O ATOM 192 CB THR A 461 3.879 1.158 -9.940 1.00 0.00 C ATOM 193 OG1 THR A 461 3.602 1.849 -8.718 1.00 0.00 O ATOM 194 CG2 THR A 461 2.798 0.119 -10.198 1.00 0.00 C ATOM 0 H THR A 461 4.705 -0.462 -11.645 1.00 0.00 H new ATOM 0 HA THR A 461 6.036 1.268 -9.930 1.00 0.00 H new ATOM 0 HB THR A 461 3.882 1.869 -10.766 1.00 0.00 H new ATOM 0 HG1 THR A 461 2.718 2.268 -8.772 1.00 0.00 H new ATOM 0 HG21 THR A 461 1.826 0.609 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 461 2.996 -0.385 -11.144 1.00 0.00 H new ATOM 0 HG23 THR A 461 2.797 -0.613 -9.390 1.00 0.00 H new ATOM 202 N SER A 462 5.721 0.505 -7.486 1.00 0.00 N ATOM 203 CA SER A 462 5.880 -0.078 -6.158 1.00 0.00 C ATOM 204 C SER A 462 4.941 0.588 -5.156 1.00 0.00 C ATOM 205 O SER A 462 5.306 1.563 -4.499 1.00 0.00 O ATOM 206 CB SER A 462 7.329 0.061 -5.687 1.00 0.00 C ATOM 207 OG SER A 462 7.736 1.418 -5.686 1.00 0.00 O ATOM 0 H SER A 462 5.876 1.512 -7.526 1.00 0.00 H new ATOM 0 HA SER A 462 5.626 -1.136 -6.220 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.430 -0.353 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 462 7.984 -0.518 -6.338 1.00 0.00 H new ATOM 0 HG SER A 462 7.060 1.962 -5.231 1.00 0.00 H new ATOM 213 N LYS A 463 3.730 0.054 -5.045 1.00 0.00 N ATOM 214 CA LYS A 463 2.737 0.593 -4.123 1.00 0.00 C ATOM 215 C LYS A 463 1.861 -0.519 -3.555 1.00 0.00 C ATOM 216 O LYS A 463 1.210 -1.251 -4.301 1.00 0.00 O ATOM 217 CB LYS A 463 1.865 1.632 -4.832 1.00 0.00 C ATOM 218 CG LYS A 463 2.441 3.037 -4.794 1.00 0.00 C ATOM 219 CD LYS A 463 2.232 3.689 -3.438 1.00 0.00 C ATOM 220 CE LYS A 463 0.851 4.317 -3.328 1.00 0.00 C ATOM 221 NZ LYS A 463 0.755 5.585 -4.103 1.00 0.00 N ATOM 0 H LYS A 463 3.412 -0.752 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 463 3.265 1.072 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.729 1.332 -5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 463 0.877 1.641 -4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 463 3.507 3.001 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 463 1.971 3.645 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 463 2.358 2.944 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.994 4.452 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 463 0.102 3.613 -3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 463 0.624 4.514 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -0.120 6.084 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 1.574 6.187 -3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 0.743 5.370 -5.120 1.00 0.00 H new ATOM 235 N ILE A 464 1.850 -0.639 -2.232 1.00 0.00 N ATOM 236 CA ILE A 464 1.052 -1.660 -1.565 1.00 0.00 C ATOM 237 C ILE A 464 -0.119 -1.038 -0.811 1.00 0.00 C ATOM 238 O ILE A 464 0.065 -0.405 0.230 1.00 0.00 O ATOM 239 CB ILE A 464 1.901 -2.485 -0.581 1.00 0.00 C ATOM 240 CG1 ILE A 464 3.059 -3.164 -1.316 1.00 0.00 C ATOM 241 CG2 ILE A 464 1.038 -3.519 0.127 1.00 0.00 C ATOM 242 CD1 ILE A 464 3.967 -3.963 -0.408 1.00 0.00 C ATOM 0 H ILE A 464 2.385 -0.042 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 464 0.670 -2.320 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 464 2.316 -1.812 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.654 -3.824 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.649 -2.404 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.653 -4.094 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.245 -3.015 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.597 -4.190 -0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.764 -4.416 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.401 -3.304 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.391 -4.746 0.085 1.00 0.00 H new ATOM 254 N LEU A 465 -1.322 -1.222 -1.342 1.00 0.00 N ATOM 255 CA LEU A 465 -2.525 -0.680 -0.718 1.00 0.00 C ATOM 256 C LEU A 465 -3.326 -1.782 -0.032 1.00 0.00 C ATOM 257 O LEU A 465 -3.859 -2.677 -0.689 1.00 0.00 O ATOM 258 CB LEU A 465 -3.393 0.022 -1.763 1.00 0.00 C ATOM 259 CG LEU A 465 -4.863 0.221 -1.391 1.00 0.00 C ATOM 260 CD1 LEU A 465 -4.991 1.170 -0.210 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.649 0.744 -2.585 1.00 0.00 C ATOM 0 H LEU A 465 -1.491 -1.742 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.218 0.044 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -2.956 0.999 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.348 -0.552 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.279 -0.744 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.044 1.299 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.462 0.756 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.559 2.136 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.693 0.880 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.232 1.699 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.585 0.028 -3.404 1.00 0.00 H new ATOM 273 N VAL A 466 -3.409 -1.710 1.292 1.00 0.00 N ATOM 274 CA VAL A 466 -4.149 -2.699 2.067 1.00 0.00 C ATOM 275 C VAL A 466 -5.572 -2.228 2.344 1.00 0.00 C ATOM 276 O VAL A 466 -5.790 -1.091 2.762 1.00 0.00 O ATOM 277 CB VAL A 466 -3.450 -3.000 3.406 1.00 0.00 C ATOM 278 CG1 VAL A 466 -3.103 -1.707 4.130 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.326 -3.889 4.276 1.00 0.00 C ATOM 0 H VAL A 466 -2.973 -0.977 1.851 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.181 -3.610 1.469 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.522 -3.533 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.610 -1.940 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.435 -1.110 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -4.015 -1.144 4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.817 -4.092 5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.271 -3.385 4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.519 -4.829 3.758 1.00 0.00 H new ATOM 289 N ARG A 467 -6.538 -3.110 2.108 1.00 0.00 N ATOM 290 CA ARG A 467 -7.941 -2.785 2.331 1.00 0.00 C ATOM 291 C ARG A 467 -8.567 -3.742 3.342 1.00 0.00 C ATOM 292 O ARG A 467 -7.994 -4.781 3.665 1.00 0.00 O ATOM 293 CB ARG A 467 -8.716 -2.840 1.013 1.00 0.00 C ATOM 294 CG ARG A 467 -8.721 -1.523 0.254 1.00 0.00 C ATOM 295 CD ARG A 467 -9.301 -1.686 -1.142 1.00 0.00 C ATOM 296 NE ARG A 467 -9.656 -0.403 -1.741 1.00 0.00 N ATOM 297 CZ ARG A 467 -10.159 -0.277 -2.964 1.00 0.00 C ATOM 298 NH1 ARG A 467 -10.367 -1.351 -3.713 1.00 0.00 N ATOM 299 NH2 ARG A 467 -10.457 0.926 -3.439 1.00 0.00 N ATOM 0 H ARG A 467 -6.374 -4.056 1.762 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.994 -1.773 2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.283 -3.614 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.745 -3.135 1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -9.303 -0.786 0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.703 -1.139 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -8.577 -2.195 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -10.186 -2.321 -1.095 1.00 0.00 H new ATOM 0 HE ARG A 467 -9.510 0.443 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -10.141 -2.277 -3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -10.753 -1.251 -4.652 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -10.300 1.754 -2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -10.843 1.022 -4.378 1.00 0.00 H new ATOM 313 N ASN A 468 -9.747 -3.382 3.837 1.00 0.00 N ATOM 314 CA ASN A 468 -10.451 -4.208 4.812 1.00 0.00 C ATOM 315 C ASN A 468 -9.703 -4.237 6.141 1.00 0.00 C ATOM 316 O ASN A 468 -9.635 -5.272 6.804 1.00 0.00 O ATOM 317 CB ASN A 468 -10.619 -5.632 4.277 1.00 0.00 C ATOM 318 CG ASN A 468 -11.828 -6.332 4.868 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.938 -5.801 4.845 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.616 -7.530 5.400 1.00 0.00 N ATOM 0 H ASN A 468 -10.236 -2.525 3.579 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.435 -3.771 4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.715 -5.601 3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.722 -6.210 4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.391 -8.049 5.812 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.678 -7.931 5.396 1.00 0.00 H new ATOM 327 N ILE A 469 -9.144 -3.094 6.524 1.00 0.00 N ATOM 328 CA ILE A 469 -8.403 -2.987 7.775 1.00 0.00 C ATOM 329 C ILE A 469 -9.343 -2.741 8.951 1.00 0.00 C ATOM 330 O ILE A 469 -10.233 -1.892 8.899 1.00 0.00 O ATOM 331 CB ILE A 469 -7.362 -1.854 7.718 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.358 -2.111 6.592 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.646 -1.725 9.054 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.556 -0.888 6.207 1.00 0.00 C ATOM 0 H ILE A 469 -9.190 -2.229 5.986 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.886 -3.936 7.918 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.878 -0.916 7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.674 -2.902 6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.893 -2.475 5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.913 -0.920 8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.372 -1.501 9.836 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -6.139 -2.661 9.287 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.865 -1.144 5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.231 -0.102 5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.993 -0.535 7.071 1.00 0.00 H new ATOM 346 N PRO A 470 -9.140 -3.499 10.039 1.00 0.00 N ATOM 347 CA PRO A 470 -9.957 -3.379 11.250 1.00 0.00 C ATOM 348 C PRO A 470 -9.704 -2.072 11.993 1.00 0.00 C ATOM 349 O PRO A 470 -8.583 -1.564 12.013 1.00 0.00 O ATOM 350 CB PRO A 470 -9.509 -4.572 12.099 1.00 0.00 C ATOM 351 CG PRO A 470 -8.124 -4.868 11.635 1.00 0.00 C ATOM 352 CD PRO A 470 -8.097 -4.530 10.171 1.00 0.00 C ATOM 0 HA PRO A 470 -11.023 -3.375 11.024 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.527 -4.331 13.162 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -10.166 -5.429 11.955 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.393 -4.276 12.186 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.873 -5.916 11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -7.121 -4.156 9.863 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -8.313 -5.402 9.553 1.00 0.00 H new ATOM 360 N PHE A 471 -10.754 -1.532 12.604 1.00 0.00 N ATOM 361 CA PHE A 471 -10.645 -0.282 13.348 1.00 0.00 C ATOM 362 C PHE A 471 -9.470 -0.328 14.320 1.00 0.00 C ATOM 363 O PHE A 471 -8.796 0.677 14.542 1.00 0.00 O ATOM 364 CB PHE A 471 -11.942 -0.005 14.111 1.00 0.00 C ATOM 365 CG PHE A 471 -13.140 0.156 13.219 1.00 0.00 C ATOM 366 CD1 PHE A 471 -13.251 1.250 12.376 1.00 0.00 C ATOM 367 CD2 PHE A 471 -14.156 -0.786 13.225 1.00 0.00 C ATOM 368 CE1 PHE A 471 -14.351 1.401 11.554 1.00 0.00 C ATOM 369 CE2 PHE A 471 -15.258 -0.641 12.404 1.00 0.00 C ATOM 370 CZ PHE A 471 -15.357 0.454 11.569 1.00 0.00 C ATOM 0 H PHE A 471 -11.689 -1.940 12.599 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.471 0.523 12.634 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.126 -0.822 14.808 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -11.818 0.900 14.706 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -12.468 1.994 12.361 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -14.086 -1.643 13.878 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -14.424 2.258 10.901 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -16.042 -1.384 12.416 1.00 0.00 H new ATOM 0 HZ PHE A 471 -16.219 0.570 10.929 1.00 0.00 H new ATOM 380 N GLN A 472 -9.232 -1.502 14.896 1.00 0.00 N ATOM 381 CA GLN A 472 -8.139 -1.679 15.845 1.00 0.00 C ATOM 382 C GLN A 472 -6.800 -1.325 15.206 1.00 0.00 C ATOM 383 O GLN A 472 -5.971 -0.650 15.814 1.00 0.00 O ATOM 384 CB GLN A 472 -8.108 -3.121 16.357 1.00 0.00 C ATOM 385 CG GLN A 472 -9.217 -3.438 17.348 1.00 0.00 C ATOM 386 CD GLN A 472 -8.933 -2.895 18.735 1.00 0.00 C ATOM 387 OE1 GLN A 472 -8.133 -1.974 18.901 1.00 0.00 O ATOM 388 NE2 GLN A 472 -9.589 -3.464 19.739 1.00 0.00 N ATOM 0 H GLN A 472 -9.781 -2.344 14.722 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.309 -1.006 16.685 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -8.185 -3.801 15.509 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -7.144 -3.309 16.830 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -10.155 -3.020 16.983 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -9.350 -4.518 17.405 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -10.243 -4.225 19.555 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -9.439 -3.140 20.695 1.00 0.00 H new ATOM 397 N ALA A 473 -6.597 -1.787 13.977 1.00 0.00 N ATOM 398 CA ALA A 473 -5.360 -1.518 13.255 1.00 0.00 C ATOM 399 C ALA A 473 -4.977 -0.045 13.352 1.00 0.00 C ATOM 400 O ALA A 473 -5.838 0.833 13.323 1.00 0.00 O ATOM 401 CB ALA A 473 -5.497 -1.934 11.798 1.00 0.00 C ATOM 0 H ALA A 473 -7.273 -2.349 13.460 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.565 -2.105 13.716 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.565 -1.727 11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.716 -3.000 11.743 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.308 -1.373 11.334 1.00 0.00 H new ATOM 407 N ASN A 474 -3.679 0.218 13.467 1.00 0.00 N ATOM 408 CA ASN A 474 -3.183 1.586 13.570 1.00 0.00 C ATOM 409 C ASN A 474 -2.021 1.816 12.609 1.00 0.00 C ATOM 410 O ASN A 474 -1.309 0.881 12.245 1.00 0.00 O ATOM 411 CB ASN A 474 -2.740 1.883 15.004 1.00 0.00 C ATOM 412 CG ASN A 474 -3.904 1.911 15.975 1.00 0.00 C ATOM 413 OD1 ASN A 474 -5.016 2.303 15.618 1.00 0.00 O ATOM 414 ND2 ASN A 474 -3.654 1.494 17.211 1.00 0.00 N ATOM 0 H ASN A 474 -2.952 -0.497 13.491 1.00 0.00 H new ATOM 0 HA ASN A 474 -3.994 2.262 13.300 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.022 1.127 15.323 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -2.225 2.843 15.031 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.398 1.490 17.908 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -2.718 1.178 17.463 1.00 0.00 H new ATOM 421 N GLN A 475 -1.836 3.068 12.202 1.00 0.00 N ATOM 422 CA GLN A 475 -0.760 3.421 11.283 1.00 0.00 C ATOM 423 C GLN A 475 0.504 2.626 11.593 1.00 0.00 C ATOM 424 O GLN A 475 1.143 2.081 10.693 1.00 0.00 O ATOM 425 CB GLN A 475 -0.466 4.920 11.361 1.00 0.00 C ATOM 426 CG GLN A 475 0.784 5.335 10.600 1.00 0.00 C ATOM 427 CD GLN A 475 0.920 6.840 10.480 1.00 0.00 C ATOM 428 OE1 GLN A 475 0.069 7.507 9.892 1.00 0.00 O ATOM 429 NE2 GLN A 475 1.996 7.384 11.038 1.00 0.00 N ATOM 0 H GLN A 475 -2.417 3.854 12.494 1.00 0.00 H new ATOM 0 HA GLN A 475 -1.084 3.173 10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.321 5.470 10.967 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.357 5.207 12.407 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.663 4.934 11.105 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.761 4.895 9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 475 2.677 6.793 11.516 1.00 0.00 H new ATOM 0 HE22 GLN A 475 2.142 8.392 10.989 1.00 0.00 H new ATOM 438 N ARG A 476 0.859 2.564 12.872 1.00 0.00 N ATOM 439 CA ARG A 476 2.048 1.837 13.301 1.00 0.00 C ATOM 440 C ARG A 476 1.898 0.342 13.029 1.00 0.00 C ATOM 441 O ARG A 476 2.816 -0.300 12.520 1.00 0.00 O ATOM 442 CB ARG A 476 2.307 2.072 14.790 1.00 0.00 C ATOM 443 CG ARG A 476 3.466 1.259 15.342 1.00 0.00 C ATOM 444 CD ARG A 476 3.857 1.722 16.737 1.00 0.00 C ATOM 445 NE ARG A 476 4.202 3.141 16.766 1.00 0.00 N ATOM 446 CZ ARG A 476 4.125 3.894 17.858 1.00 0.00 C ATOM 447 NH1 ARG A 476 3.718 3.366 19.004 1.00 0.00 N ATOM 448 NH2 ARG A 476 4.457 5.178 17.805 1.00 0.00 N ATOM 0 H ARG A 476 0.340 3.008 13.629 1.00 0.00 H new ATOM 0 HA ARG A 476 2.898 2.210 12.729 1.00 0.00 H new ATOM 0 HB2 ARG A 476 2.507 3.131 14.953 1.00 0.00 H new ATOM 0 HB3 ARG A 476 1.404 1.829 15.350 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.191 0.205 15.371 1.00 0.00 H new ATOM 0 HG3 ARG A 476 4.323 1.346 14.675 1.00 0.00 H new ATOM 0 HD2 ARG A 476 3.033 1.535 17.425 1.00 0.00 H new ATOM 0 HD3 ARG A 476 4.705 1.135 17.089 1.00 0.00 H new ATOM 0 HE ARG A 476 4.519 3.578 15.901 1.00 0.00 H new ATOM 0 HH11 ARG A 476 3.463 2.379 19.049 1.00 0.00 H new ATOM 0 HH12 ARG A 476 3.660 3.946 19.841 1.00 0.00 H new ATOM 0 HH21 ARG A 476 4.772 5.588 16.925 1.00 0.00 H new ATOM 0 HH22 ARG A 476 4.398 5.755 18.644 1.00 0.00 H new ATOM 462 N GLU A 477 0.736 -0.203 13.374 1.00 0.00 N ATOM 463 CA GLU A 477 0.467 -1.621 13.168 1.00 0.00 C ATOM 464 C GLU A 477 0.846 -2.047 11.753 1.00 0.00 C ATOM 465 O GLU A 477 1.577 -3.019 11.560 1.00 0.00 O ATOM 466 CB GLU A 477 -1.009 -1.926 13.427 1.00 0.00 C ATOM 467 CG GLU A 477 -1.308 -3.409 13.572 1.00 0.00 C ATOM 468 CD GLU A 477 -0.560 -4.257 12.561 1.00 0.00 C ATOM 469 OE1 GLU A 477 -0.790 -4.075 11.348 1.00 0.00 O ATOM 470 OE2 GLU A 477 0.257 -5.101 12.985 1.00 0.00 O ATOM 0 H GLU A 477 -0.034 0.316 13.797 1.00 0.00 H new ATOM 0 HA GLU A 477 1.076 -2.186 13.874 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.324 -1.410 14.334 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.604 -1.522 12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -1.043 -3.732 14.579 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -2.379 -3.573 13.456 1.00 0.00 H new ATOM 477 N ILE A 478 0.342 -1.313 10.766 1.00 0.00 N ATOM 478 CA ILE A 478 0.627 -1.614 9.369 1.00 0.00 C ATOM 479 C ILE A 478 2.096 -1.366 9.042 1.00 0.00 C ATOM 480 O ILE A 478 2.780 -2.241 8.509 1.00 0.00 O ATOM 481 CB ILE A 478 -0.247 -0.771 8.422 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.723 -0.903 8.802 1.00 0.00 C ATOM 483 CG2 ILE A 478 -0.026 -1.196 6.978 1.00 0.00 C ATOM 484 CD1 ILE A 478 -2.220 -2.332 8.807 1.00 0.00 C ATOM 0 H ILE A 478 -0.265 -0.506 10.908 1.00 0.00 H new ATOM 0 HA ILE A 478 0.397 -2.669 9.220 1.00 0.00 H new ATOM 0 HB ILE A 478 0.042 0.275 8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.875 -0.470 9.791 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.323 -0.320 8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.651 -0.591 6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.022 -1.055 6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 478 -0.291 -2.247 6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.274 -2.350 9.085 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -2.100 -2.763 7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.645 -2.915 9.527 1.00 0.00 H new ATOM 496 N ARG A 479 2.576 -0.170 9.366 1.00 0.00 N ATOM 497 CA ARG A 479 3.964 0.192 9.107 1.00 0.00 C ATOM 498 C ARG A 479 4.900 -0.965 9.444 1.00 0.00 C ATOM 499 O ARG A 479 5.569 -1.509 8.567 1.00 0.00 O ATOM 500 CB ARG A 479 4.350 1.429 9.921 1.00 0.00 C ATOM 501 CG ARG A 479 5.645 2.079 9.462 1.00 0.00 C ATOM 502 CD ARG A 479 5.799 3.479 10.036 1.00 0.00 C ATOM 503 NE ARG A 479 6.590 4.344 9.165 1.00 0.00 N ATOM 504 CZ ARG A 479 6.668 5.662 9.313 1.00 0.00 C ATOM 505 NH1 ARG A 479 6.007 6.263 10.292 1.00 0.00 N ATOM 506 NH2 ARG A 479 7.409 6.381 8.479 1.00 0.00 N ATOM 0 H ARG A 479 2.024 0.565 9.808 1.00 0.00 H new ATOM 0 HA ARG A 479 4.063 0.418 8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.544 2.160 9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.446 1.148 10.970 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.491 1.464 9.769 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.664 2.127 8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 479 4.813 3.920 10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 479 6.274 3.419 11.015 1.00 0.00 H new ATOM 0 HE ARG A 479 7.111 3.913 8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 479 5.436 5.713 10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 479 6.069 7.275 10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 479 7.919 5.922 7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 479 7.469 7.393 8.593 1.00 0.00 H new ATOM 520 N GLU A 480 4.941 -1.334 10.721 1.00 0.00 N ATOM 521 CA GLU A 480 5.796 -2.425 11.173 1.00 0.00 C ATOM 522 C GLU A 480 5.457 -3.721 10.441 1.00 0.00 C ATOM 523 O GLU A 480 6.345 -4.432 9.970 1.00 0.00 O ATOM 524 CB GLU A 480 5.649 -2.626 12.682 1.00 0.00 C ATOM 525 CG GLU A 480 6.357 -1.567 13.509 1.00 0.00 C ATOM 526 CD GLU A 480 7.839 -1.479 13.198 1.00 0.00 C ATOM 527 OE1 GLU A 480 8.196 -0.856 12.176 1.00 0.00 O ATOM 528 OE2 GLU A 480 8.642 -2.032 13.979 1.00 0.00 O ATOM 0 H GLU A 480 4.393 -0.894 11.460 1.00 0.00 H new ATOM 0 HA GLU A 480 6.829 -2.160 10.948 1.00 0.00 H new ATOM 0 HB2 GLU A 480 4.590 -2.627 12.938 1.00 0.00 H new ATOM 0 HB3 GLU A 480 6.042 -3.607 12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 480 5.893 -0.598 13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 480 6.224 -1.789 14.568 1.00 0.00 H new ATOM 535 N LEU A 481 4.166 -4.021 10.349 1.00 0.00 N ATOM 536 CA LEU A 481 3.708 -5.231 9.675 1.00 0.00 C ATOM 537 C LEU A 481 4.510 -5.482 8.402 1.00 0.00 C ATOM 538 O LEU A 481 4.901 -6.614 8.116 1.00 0.00 O ATOM 539 CB LEU A 481 2.220 -5.119 9.340 1.00 0.00 C ATOM 540 CG LEU A 481 1.540 -6.405 8.868 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.378 -7.379 10.024 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.190 -6.094 8.237 1.00 0.00 C ATOM 0 H LEU A 481 3.418 -3.443 10.733 1.00 0.00 H new ATOM 0 HA LEU A 481 3.860 -6.073 10.350 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.695 -4.758 10.224 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.098 -4.362 8.565 1.00 0.00 H new ATOM 0 HG LEU A 481 2.173 -6.872 8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.892 -8.288 9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.358 -7.627 10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.767 -6.922 10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.279 -7.021 7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.450 -5.604 8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.332 -5.434 7.381 1.00 0.00 H new ATOM 554 N PHE A 482 4.754 -4.419 7.643 1.00 0.00 N ATOM 555 CA PHE A 482 5.512 -4.524 6.402 1.00 0.00 C ATOM 556 C PHE A 482 6.996 -4.271 6.647 1.00 0.00 C ATOM 557 O PHE A 482 7.854 -4.839 5.971 1.00 0.00 O ATOM 558 CB PHE A 482 4.977 -3.531 5.368 1.00 0.00 C ATOM 559 CG PHE A 482 3.654 -3.932 4.780 1.00 0.00 C ATOM 560 CD1 PHE A 482 2.475 -3.700 5.469 1.00 0.00 C ATOM 561 CD2 PHE A 482 3.590 -4.541 3.537 1.00 0.00 C ATOM 562 CE1 PHE A 482 1.257 -4.067 4.931 1.00 0.00 C ATOM 563 CE2 PHE A 482 2.374 -4.910 2.993 1.00 0.00 C ATOM 564 CZ PHE A 482 1.206 -4.674 3.691 1.00 0.00 C ATOM 0 H PHE A 482 4.438 -3.475 7.866 1.00 0.00 H new ATOM 0 HA PHE A 482 5.394 -5.537 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.876 -2.551 5.835 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.706 -3.427 4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 482 2.509 -3.226 6.439 1.00 0.00 H new ATOM 0 HD2 PHE A 482 4.500 -4.729 2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 482 0.345 -3.880 5.479 1.00 0.00 H new ATOM 0 HE2 PHE A 482 2.337 -5.383 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.255 -4.963 3.269 1.00 0.00 H new ATOM 574 N SER A 483 7.291 -3.412 7.618 1.00 0.00 N ATOM 575 CA SER A 483 8.671 -3.079 7.950 1.00 0.00 C ATOM 576 C SER A 483 9.484 -4.341 8.224 1.00 0.00 C ATOM 577 O SER A 483 10.703 -4.359 8.048 1.00 0.00 O ATOM 578 CB SER A 483 8.716 -2.155 9.169 1.00 0.00 C ATOM 579 OG SER A 483 9.968 -1.498 9.265 1.00 0.00 O ATOM 0 H SER A 483 6.593 -2.934 8.188 1.00 0.00 H new ATOM 0 HA SER A 483 9.110 -2.564 7.096 1.00 0.00 H new ATOM 0 HB2 SER A 483 7.918 -1.416 9.098 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.535 -2.734 10.075 1.00 0.00 H new ATOM 0 HG SER A 483 9.971 -0.913 10.051 1.00 0.00 H new ATOM 585 N THR A 484 8.800 -5.395 8.656 1.00 0.00 N ATOM 586 CA THR A 484 9.456 -6.662 8.956 1.00 0.00 C ATOM 587 C THR A 484 10.113 -7.249 7.712 1.00 0.00 C ATOM 588 O THR A 484 11.148 -7.909 7.797 1.00 0.00 O ATOM 589 CB THR A 484 8.462 -7.688 9.531 1.00 0.00 C ATOM 590 OG1 THR A 484 9.104 -8.958 9.687 1.00 0.00 O ATOM 591 CG2 THR A 484 7.250 -7.834 8.623 1.00 0.00 C ATOM 0 H THR A 484 7.791 -5.397 8.806 1.00 0.00 H new ATOM 0 HA THR A 484 10.221 -6.452 9.703 1.00 0.00 H new ATOM 0 HB THR A 484 8.126 -7.330 10.504 1.00 0.00 H new ATOM 0 HG1 THR A 484 8.466 -9.604 10.055 1.00 0.00 H new ATOM 0 HG21 THR A 484 6.562 -8.564 9.049 1.00 0.00 H new ATOM 0 HG22 THR A 484 6.747 -6.872 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 484 7.572 -8.171 7.638 1.00 0.00 H new ATOM 599 N PHE A 485 9.504 -7.004 6.556 1.00 0.00 N ATOM 600 CA PHE A 485 10.030 -7.510 5.293 1.00 0.00 C ATOM 601 C PHE A 485 11.175 -6.635 4.792 1.00 0.00 C ATOM 602 O PHE A 485 12.181 -7.137 4.292 1.00 0.00 O ATOM 603 CB PHE A 485 8.920 -7.568 4.241 1.00 0.00 C ATOM 604 CG PHE A 485 7.933 -8.676 4.472 1.00 0.00 C ATOM 605 CD1 PHE A 485 6.846 -8.490 5.311 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.092 -9.904 3.850 1.00 0.00 C ATOM 607 CE1 PHE A 485 5.937 -9.509 5.526 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.186 -10.926 4.061 1.00 0.00 C ATOM 609 CZ PHE A 485 6.106 -10.728 4.899 1.00 0.00 C ATOM 0 H PHE A 485 8.647 -6.459 6.468 1.00 0.00 H new ATOM 0 HA PHE A 485 10.412 -8.516 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.390 -6.616 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.370 -7.692 3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.707 -7.538 5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.934 -10.064 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.095 -9.352 6.184 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.322 -11.879 3.571 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.395 -11.524 5.064 1.00 0.00 H new ATOM 619 N GLY A 486 11.014 -5.323 4.930 1.00 0.00 N ATOM 620 CA GLY A 486 12.042 -4.398 4.487 1.00 0.00 C ATOM 621 C GLY A 486 11.788 -2.980 4.957 1.00 0.00 C ATOM 622 O GLY A 486 10.895 -2.739 5.769 1.00 0.00 O ATOM 0 H GLY A 486 10.190 -4.883 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 486 13.011 -4.732 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.095 -4.413 3.398 1.00 0.00 H new ATOM 626 N GLU A 487 12.577 -2.039 4.448 1.00 0.00 N ATOM 627 CA GLU A 487 12.434 -0.637 4.823 1.00 0.00 C ATOM 628 C GLU A 487 11.273 0.011 4.075 1.00 0.00 C ATOM 629 O GLU A 487 11.089 -0.212 2.877 1.00 0.00 O ATOM 630 CB GLU A 487 13.729 0.125 4.537 1.00 0.00 C ATOM 631 CG GLU A 487 13.712 1.561 5.034 1.00 0.00 C ATOM 632 CD GLU A 487 15.106 2.119 5.251 1.00 0.00 C ATOM 633 OE1 GLU A 487 15.812 1.619 6.151 1.00 0.00 O ATOM 634 OE2 GLU A 487 15.489 3.057 4.521 1.00 0.00 O ATOM 0 H GLU A 487 13.321 -2.222 3.775 1.00 0.00 H new ATOM 0 HA GLU A 487 12.224 -0.593 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.561 -0.402 5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 487 13.912 0.123 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 487 13.183 2.185 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.155 1.611 5.969 1.00 0.00 H new ATOM 641 N LEU A 488 10.491 0.814 4.788 1.00 0.00 N ATOM 642 CA LEU A 488 9.347 1.496 4.193 1.00 0.00 C ATOM 643 C LEU A 488 9.637 2.980 4.000 1.00 0.00 C ATOM 644 O LEU A 488 10.305 3.606 4.823 1.00 0.00 O ATOM 645 CB LEU A 488 8.108 1.316 5.072 1.00 0.00 C ATOM 646 CG LEU A 488 7.733 -0.125 5.417 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.648 -0.153 6.483 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.278 -0.871 4.171 1.00 0.00 C ATOM 0 H LEU A 488 10.628 1.009 5.780 1.00 0.00 H new ATOM 0 HA LEU A 488 9.159 1.052 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.265 1.862 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.260 1.780 4.569 1.00 0.00 H new ATOM 0 HG LEU A 488 8.617 -0.625 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.394 -1.187 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 488 7.010 0.344 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.762 0.364 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 488 7.015 -1.895 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.408 -0.371 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.085 -0.881 3.438 1.00 0.00 H new ATOM 660 N LYS A 489 9.129 3.540 2.907 1.00 0.00 N ATOM 661 CA LYS A 489 9.330 4.953 2.606 1.00 0.00 C ATOM 662 C LYS A 489 8.449 5.828 3.492 1.00 0.00 C ATOM 663 O LYS A 489 8.941 6.709 4.198 1.00 0.00 O ATOM 664 CB LYS A 489 9.026 5.230 1.132 1.00 0.00 C ATOM 665 CG LYS A 489 10.233 5.082 0.224 1.00 0.00 C ATOM 666 CD LYS A 489 11.014 6.382 0.118 1.00 0.00 C ATOM 667 CE LYS A 489 11.730 6.495 -1.220 1.00 0.00 C ATOM 668 NZ LYS A 489 13.042 5.792 -1.207 1.00 0.00 N ATOM 0 H LYS A 489 8.575 3.037 2.214 1.00 0.00 H new ATOM 0 HA LYS A 489 10.373 5.197 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.244 4.549 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.631 6.241 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 489 10.884 4.296 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 489 9.907 4.770 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 489 10.336 7.226 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 489 11.742 6.437 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 489 11.101 6.076 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 489 11.884 7.547 -1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 13.757 6.382 -1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 13.332 5.616 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 12.955 4.886 -1.710 1.00 0.00 H new ATOM 682 N THR A 490 7.144 5.579 3.451 1.00 0.00 N ATOM 683 CA THR A 490 6.194 6.344 4.249 1.00 0.00 C ATOM 684 C THR A 490 4.846 5.638 4.326 1.00 0.00 C ATOM 685 O THR A 490 4.380 5.059 3.345 1.00 0.00 O ATOM 686 CB THR A 490 5.988 7.759 3.675 1.00 0.00 C ATOM 687 OG1 THR A 490 5.018 8.467 4.454 1.00 0.00 O ATOM 688 CG2 THR A 490 5.532 7.693 2.225 1.00 0.00 C ATOM 0 H THR A 490 6.721 4.853 2.873 1.00 0.00 H new ATOM 0 HA THR A 490 6.616 6.424 5.251 1.00 0.00 H new ATOM 0 HB THR A 490 6.941 8.287 3.716 1.00 0.00 H new ATOM 0 HG1 THR A 490 4.894 9.366 4.084 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.393 8.704 1.841 1.00 0.00 H new ATOM 0 HG22 THR A 490 6.286 7.179 1.629 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.589 7.149 2.164 1.00 0.00 H new ATOM 696 N VAL A 491 4.222 5.690 5.499 1.00 0.00 N ATOM 697 CA VAL A 491 2.925 5.056 5.703 1.00 0.00 C ATOM 698 C VAL A 491 1.809 6.093 5.757 1.00 0.00 C ATOM 699 O VAL A 491 1.941 7.129 6.410 1.00 0.00 O ATOM 700 CB VAL A 491 2.903 4.227 7.001 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.500 3.712 7.283 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.895 3.076 6.914 1.00 0.00 C ATOM 0 H VAL A 491 4.594 6.164 6.322 1.00 0.00 H new ATOM 0 HA VAL A 491 2.760 4.393 4.854 1.00 0.00 H new ATOM 0 HB VAL A 491 3.200 4.872 7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.505 3.129 8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.818 4.555 7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.171 3.082 6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.867 2.501 7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.630 2.430 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.899 3.472 6.764 1.00 0.00 H new ATOM 712 N ARG A 492 0.709 5.808 5.068 1.00 0.00 N ATOM 713 CA ARG A 492 -0.430 6.717 5.036 1.00 0.00 C ATOM 714 C ARG A 492 -1.719 5.986 5.403 1.00 0.00 C ATOM 715 O ARG A 492 -2.077 4.987 4.779 1.00 0.00 O ATOM 716 CB ARG A 492 -0.567 7.350 3.650 1.00 0.00 C ATOM 717 CG ARG A 492 0.251 8.619 3.476 1.00 0.00 C ATOM 718 CD ARG A 492 0.088 9.200 2.081 1.00 0.00 C ATOM 719 NE ARG A 492 -1.295 9.576 1.802 1.00 0.00 N ATOM 720 CZ ARG A 492 -1.852 10.702 2.236 1.00 0.00 C ATOM 721 NH1 ARG A 492 -1.147 11.556 2.964 1.00 0.00 N ATOM 722 NH2 ARG A 492 -3.117 10.974 1.941 1.00 0.00 N ATOM 0 H ARG A 492 0.583 4.954 4.524 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.256 7.503 5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.261 6.624 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.617 7.577 3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 492 -0.058 9.357 4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.303 8.403 3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.730 10.075 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 492 0.421 8.470 1.343 1.00 0.00 H new ATOM 0 HE ARG A 492 -1.865 8.940 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 492 -0.175 11.350 3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 492 -1.577 12.419 3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 492 -3.662 10.319 1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 492 -3.544 11.838 2.274 1.00 0.00 H new ATOM 736 N LEU A 493 -2.410 6.491 6.419 1.00 0.00 N ATOM 737 CA LEU A 493 -3.658 5.886 6.870 1.00 0.00 C ATOM 738 C LEU A 493 -4.709 6.955 7.156 1.00 0.00 C ATOM 739 O LEU A 493 -4.396 8.075 7.560 1.00 0.00 O ATOM 740 CB LEU A 493 -3.416 5.044 8.125 1.00 0.00 C ATOM 741 CG LEU A 493 -2.939 3.611 7.889 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.422 3.563 7.793 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.434 2.694 8.998 1.00 0.00 C ATOM 0 H LEU A 493 -2.127 7.317 6.946 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.029 5.241 6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.678 5.554 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.342 5.008 8.698 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.354 3.261 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.100 2.535 7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.090 4.187 6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.987 3.932 8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.085 1.678 8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.049 3.041 9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.524 2.705 9.020 1.00 0.00 H new ATOM 755 N PRO A 494 -5.985 6.602 6.944 1.00 0.00 N ATOM 756 CA PRO A 494 -7.108 7.515 7.175 1.00 0.00 C ATOM 757 C PRO A 494 -7.330 7.798 8.657 1.00 0.00 C ATOM 758 O PRO A 494 -7.594 6.886 9.441 1.00 0.00 O ATOM 759 CB PRO A 494 -8.305 6.761 6.590 1.00 0.00 C ATOM 760 CG PRO A 494 -7.921 5.324 6.664 1.00 0.00 C ATOM 761 CD PRO A 494 -6.431 5.283 6.463 1.00 0.00 C ATOM 0 HA PRO A 494 -6.939 8.492 6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 494 -9.213 6.958 7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 494 -8.501 7.066 5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 494 -8.197 4.895 7.628 1.00 0.00 H new ATOM 0 HG3 PRO A 494 -8.434 4.743 5.898 1.00 0.00 H new ATOM 0 HD2 PRO A 494 -5.971 4.473 7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 494 -6.171 5.128 5.416 1.00 0.00 H new ATOM 769 N LYS A 495 -7.222 9.067 9.035 1.00 0.00 N ATOM 770 CA LYS A 495 -7.412 9.471 10.423 1.00 0.00 C ATOM 771 C LYS A 495 -8.715 10.246 10.590 1.00 0.00 C ATOM 772 O LYS A 495 -9.014 11.154 9.814 1.00 0.00 O ATOM 773 CB LYS A 495 -6.234 10.327 10.893 1.00 0.00 C ATOM 774 CG LYS A 495 -6.400 10.871 12.301 1.00 0.00 C ATOM 775 CD LYS A 495 -6.260 9.774 13.343 1.00 0.00 C ATOM 776 CE LYS A 495 -6.605 10.280 14.735 1.00 0.00 C ATOM 777 NZ LYS A 495 -8.056 10.587 14.870 1.00 0.00 N ATOM 0 H LYS A 495 -7.004 9.834 8.399 1.00 0.00 H new ATOM 0 HA LYS A 495 -7.464 8.570 11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 495 -5.322 9.731 10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 495 -6.104 11.161 10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 495 -5.654 11.645 12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 495 -7.378 11.342 12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 495 -6.914 8.941 13.085 1.00 0.00 H new ATOM 0 HD3 LYS A 495 -5.239 9.392 13.336 1.00 0.00 H new ATOM 0 HE2 LYS A 495 -6.322 9.531 15.474 1.00 0.00 H new ATOM 0 HE3 LYS A 495 -6.023 11.176 14.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 495 -8.177 11.587 15.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 495 -8.535 10.404 13.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 495 -8.471 9.985 15.609 1.00 0.00 H new ATOM 791 N LYS A 496 -9.487 9.884 11.609 1.00 0.00 N ATOM 792 CA LYS A 496 -10.757 10.546 11.881 1.00 0.00 C ATOM 793 C LYS A 496 -10.584 12.061 11.917 1.00 0.00 C ATOM 794 O LYS A 496 -9.619 12.571 12.486 1.00 0.00 O ATOM 795 CB LYS A 496 -11.338 10.056 13.210 1.00 0.00 C ATOM 796 CG LYS A 496 -12.753 10.542 13.471 1.00 0.00 C ATOM 797 CD LYS A 496 -13.454 9.684 14.510 1.00 0.00 C ATOM 798 CE LYS A 496 -14.646 10.407 15.119 1.00 0.00 C ATOM 799 NZ LYS A 496 -15.397 9.538 16.067 1.00 0.00 N ATOM 0 H LYS A 496 -9.255 9.135 12.261 1.00 0.00 H new ATOM 0 HA LYS A 496 -11.448 10.296 11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 496 -11.329 8.966 13.221 1.00 0.00 H new ATOM 0 HB3 LYS A 496 -10.693 10.388 14.023 1.00 0.00 H new ATOM 0 HG2 LYS A 496 -12.726 11.577 13.811 1.00 0.00 H new ATOM 0 HG3 LYS A 496 -13.321 10.526 12.541 1.00 0.00 H new ATOM 0 HD2 LYS A 496 -13.788 8.754 14.050 1.00 0.00 H new ATOM 0 HD3 LYS A 496 -12.749 9.415 15.297 1.00 0.00 H new ATOM 0 HE2 LYS A 496 -14.301 11.300 15.640 1.00 0.00 H new ATOM 0 HE3 LYS A 496 -15.314 10.739 14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 496 -16.201 10.067 16.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 496 -15.748 8.698 15.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 496 -14.767 9.241 16.839 1.00 0.00 H new ATOM 813 N MET A 497 -11.525 12.775 11.308 1.00 0.00 N ATOM 814 CA MET A 497 -11.477 14.232 11.274 1.00 0.00 C ATOM 815 C MET A 497 -12.696 14.833 11.966 1.00 0.00 C ATOM 816 O MET A 497 -13.732 14.180 12.100 1.00 0.00 O ATOM 817 CB MET A 497 -11.401 14.727 9.828 1.00 0.00 C ATOM 818 CG MET A 497 -12.718 14.619 9.079 1.00 0.00 C ATOM 819 SD MET A 497 -12.764 15.651 7.601 1.00 0.00 S ATOM 820 CE MET A 497 -13.247 17.226 8.303 1.00 0.00 C ATOM 0 H MET A 497 -12.330 12.368 10.831 1.00 0.00 H new ATOM 0 HA MET A 497 -10.583 14.554 11.808 1.00 0.00 H new ATOM 0 HB2 MET A 497 -11.075 15.767 9.825 1.00 0.00 H new ATOM 0 HB3 MET A 497 -10.642 14.154 9.296 1.00 0.00 H new ATOM 0 HG2 MET A 497 -12.887 13.580 8.797 1.00 0.00 H new ATOM 0 HG3 MET A 497 -13.534 14.906 9.743 1.00 0.00 H new ATOM 0 HE1 MET A 497 -13.113 18.012 7.560 1.00 0.00 H new ATOM 0 HE2 MET A 497 -14.294 17.185 8.603 1.00 0.00 H new ATOM 0 HE3 MET A 497 -12.628 17.441 9.174 1.00 0.00 H new ATOM 830 N THR A 498 -12.567 16.081 12.405 1.00 0.00 N ATOM 831 CA THR A 498 -13.657 16.769 13.084 1.00 0.00 C ATOM 832 C THR A 498 -14.912 16.801 12.218 1.00 0.00 C ATOM 833 O THR A 498 -14.892 17.313 11.100 1.00 0.00 O ATOM 834 CB THR A 498 -13.267 18.212 13.456 1.00 0.00 C ATOM 835 OG1 THR A 498 -13.040 18.979 12.268 1.00 0.00 O ATOM 836 CG2 THR A 498 -12.016 18.228 14.322 1.00 0.00 C ATOM 0 H THR A 498 -11.717 16.636 12.302 1.00 0.00 H new ATOM 0 HA THR A 498 -13.863 16.210 13.997 1.00 0.00 H new ATOM 0 HB THR A 498 -14.088 18.653 14.022 1.00 0.00 H new ATOM 0 HG1 THR A 498 -13.538 18.583 11.523 1.00 0.00 H new ATOM 0 HG21 THR A 498 -11.760 19.258 14.572 1.00 0.00 H new ATOM 0 HG22 THR A 498 -12.201 17.667 15.238 1.00 0.00 H new ATOM 0 HG23 THR A 498 -11.190 17.771 13.777 1.00 0.00 H new ATOM 844 N GLY A 499 -16.002 16.252 12.744 1.00 0.00 N ATOM 845 CA GLY A 499 -17.251 16.229 12.004 1.00 0.00 C ATOM 846 C GLY A 499 -17.652 14.828 11.587 1.00 0.00 C ATOM 847 O GLY A 499 -18.106 14.032 12.409 1.00 0.00 O ATOM 0 H GLY A 499 -16.043 15.823 13.668 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -18.041 16.662 12.617 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -17.156 16.856 11.117 1.00 0.00 H new ATOM 851 N THR A 500 -17.486 14.525 10.303 1.00 0.00 N ATOM 852 CA THR A 500 -17.836 13.212 9.776 1.00 0.00 C ATOM 853 C THR A 500 -16.673 12.601 9.002 1.00 0.00 C ATOM 854 O THR A 500 -15.876 13.315 8.396 1.00 0.00 O ATOM 855 CB THR A 500 -19.068 13.286 8.855 1.00 0.00 C ATOM 856 OG1 THR A 500 -20.168 13.878 9.555 1.00 0.00 O ATOM 857 CG2 THR A 500 -19.460 11.902 8.361 1.00 0.00 C ATOM 0 H THR A 500 -17.111 15.172 9.609 1.00 0.00 H new ATOM 0 HA THR A 500 -18.070 12.580 10.633 1.00 0.00 H new ATOM 0 HB THR A 500 -18.812 13.902 7.993 1.00 0.00 H new ATOM 0 HG1 THR A 500 -20.947 13.923 8.962 1.00 0.00 H new ATOM 0 HG21 THR A 500 -20.333 11.981 7.713 1.00 0.00 H new ATOM 0 HG22 THR A 500 -18.631 11.467 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 500 -19.698 11.265 9.213 1.00 0.00 H new ATOM 865 N GLY A 501 -16.582 11.275 9.027 1.00 0.00 N ATOM 866 CA GLY A 501 -15.513 10.591 8.324 1.00 0.00 C ATOM 867 C GLY A 501 -14.491 9.988 9.267 1.00 0.00 C ATOM 868 O GLY A 501 -13.667 10.701 9.837 1.00 0.00 O ATOM 0 H GLY A 501 -17.230 10.662 9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -15.938 9.803 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -15.015 11.293 7.655 1.00 0.00 H new ATOM 872 N ALA A 502 -14.546 8.671 9.432 1.00 0.00 N ATOM 873 CA ALA A 502 -13.618 7.972 10.312 1.00 0.00 C ATOM 874 C ALA A 502 -12.599 7.170 9.510 1.00 0.00 C ATOM 875 O ALA A 502 -12.636 7.155 8.279 1.00 0.00 O ATOM 876 CB ALA A 502 -14.378 7.061 11.265 1.00 0.00 C ATOM 0 H ALA A 502 -15.224 8.066 8.968 1.00 0.00 H new ATOM 0 HA ALA A 502 -13.077 8.718 10.894 1.00 0.00 H new ATOM 0 HB1 ALA A 502 -13.672 6.545 11.916 1.00 0.00 H new ATOM 0 HB2 ALA A 502 -15.062 7.657 11.870 1.00 0.00 H new ATOM 0 HB3 ALA A 502 -14.946 6.328 10.692 1.00 0.00 H new ATOM 882 N HIS A 503 -11.690 6.504 10.215 1.00 0.00 N ATOM 883 CA HIS A 503 -10.660 5.699 9.567 1.00 0.00 C ATOM 884 C HIS A 503 -11.286 4.614 8.695 1.00 0.00 C ATOM 885 O HIS A 503 -11.876 3.660 9.203 1.00 0.00 O ATOM 886 CB HIS A 503 -9.746 5.062 10.615 1.00 0.00 C ATOM 887 CG HIS A 503 -9.110 3.786 10.159 1.00 0.00 C ATOM 888 ND1 HIS A 503 -9.784 2.583 10.112 1.00 0.00 N ATOM 889 CD2 HIS A 503 -7.854 3.528 9.725 1.00 0.00 C ATOM 890 CE1 HIS A 503 -8.969 1.641 9.671 1.00 0.00 C ATOM 891 NE2 HIS A 503 -7.791 2.189 9.429 1.00 0.00 N ATOM 0 H HIS A 503 -11.645 6.506 11.234 1.00 0.00 H new ATOM 0 HA HIS A 503 -10.068 6.356 8.930 1.00 0.00 H new ATOM 0 HB2 HIS A 503 -8.964 5.772 10.883 1.00 0.00 H new ATOM 0 HB3 HIS A 503 -10.324 4.868 11.519 1.00 0.00 H new ATOM 0 HD1 HIS A 503 -10.759 2.443 10.376 1.00 0.00 H new ATOM 0 HD2 HIS A 503 -7.050 4.243 9.629 1.00 0.00 H new ATOM 0 HE1 HIS A 503 -9.222 0.600 9.532 1.00 0.00 H new ATOM 899 N ARG A 504 -11.154 4.768 7.382 1.00 0.00 N ATOM 900 CA ARG A 504 -11.709 3.804 6.440 1.00 0.00 C ATOM 901 C ARG A 504 -10.818 2.569 6.339 1.00 0.00 C ATOM 902 O ARG A 504 -9.654 2.596 6.736 1.00 0.00 O ATOM 903 CB ARG A 504 -11.872 4.442 5.059 1.00 0.00 C ATOM 904 CG ARG A 504 -13.197 5.162 4.874 1.00 0.00 C ATOM 905 CD ARG A 504 -13.272 5.853 3.521 1.00 0.00 C ATOM 906 NE ARG A 504 -13.215 4.900 2.416 1.00 0.00 N ATOM 907 CZ ARG A 504 -13.291 5.251 1.138 1.00 0.00 C ATOM 908 NH1 ARG A 504 -13.426 6.528 0.805 1.00 0.00 N ATOM 909 NH2 ARG A 504 -13.232 4.326 0.189 1.00 0.00 N ATOM 0 H ARG A 504 -10.667 5.551 6.946 1.00 0.00 H new ATOM 0 HA ARG A 504 -12.688 3.497 6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -11.058 5.149 4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.779 3.668 4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -14.016 4.448 4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -13.326 5.898 5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -14.197 6.427 3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -12.450 6.563 3.430 1.00 0.00 H new ATOM 0 HE ARG A 504 -13.111 3.910 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -13.472 7.242 1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -13.484 6.795 -0.178 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -13.128 3.343 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -13.291 4.598 -0.792 1.00 0.00 H new ATOM 923 N GLY A 505 -11.375 1.486 5.805 1.00 0.00 N ATOM 924 CA GLY A 505 -10.618 0.256 5.662 1.00 0.00 C ATOM 925 C GLY A 505 -9.692 0.281 4.463 1.00 0.00 C ATOM 926 O GLY A 505 -9.831 -0.527 3.544 1.00 0.00 O ATOM 0 H GLY A 505 -12.337 1.439 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -10.033 0.086 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.308 -0.583 5.567 1.00 0.00 H new ATOM 930 N PHE A 506 -8.745 1.213 4.468 1.00 0.00 N ATOM 931 CA PHE A 506 -7.793 1.343 3.370 1.00 0.00 C ATOM 932 C PHE A 506 -6.522 2.048 3.833 1.00 0.00 C ATOM 933 O PHE A 506 -6.578 3.077 4.505 1.00 0.00 O ATOM 934 CB PHE A 506 -8.424 2.114 2.209 1.00 0.00 C ATOM 935 CG PHE A 506 -8.220 3.600 2.296 1.00 0.00 C ATOM 936 CD1 PHE A 506 -9.090 4.391 3.028 1.00 0.00 C ATOM 937 CD2 PHE A 506 -7.157 4.205 1.644 1.00 0.00 C ATOM 938 CE1 PHE A 506 -8.905 5.758 3.110 1.00 0.00 C ATOM 939 CE2 PHE A 506 -6.967 5.572 1.722 1.00 0.00 C ATOM 940 CZ PHE A 506 -7.842 6.349 2.455 1.00 0.00 C ATOM 0 H PHE A 506 -8.616 1.890 5.220 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.528 0.342 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -8.003 1.752 1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.493 1.903 2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -9.923 3.934 3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -6.470 3.602 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -9.590 6.363 3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -6.135 6.032 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 506 -7.696 7.417 2.516 1.00 0.00 H new ATOM 950 N GLY A 507 -5.374 1.484 3.469 1.00 0.00 N ATOM 951 CA GLY A 507 -4.104 2.071 3.855 1.00 0.00 C ATOM 952 C GLY A 507 -3.055 1.953 2.767 1.00 0.00 C ATOM 953 O GLY A 507 -2.977 0.936 2.078 1.00 0.00 O ATOM 0 H GLY A 507 -5.301 0.631 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.253 3.123 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.741 1.582 4.759 1.00 0.00 H new ATOM 957 N PHE A 508 -2.247 2.997 2.610 1.00 0.00 N ATOM 958 CA PHE A 508 -1.200 3.007 1.596 1.00 0.00 C ATOM 959 C PHE A 508 0.172 2.793 2.229 1.00 0.00 C ATOM 960 O PHE A 508 0.490 3.382 3.262 1.00 0.00 O ATOM 961 CB PHE A 508 -1.219 4.329 0.826 1.00 0.00 C ATOM 962 CG PHE A 508 -2.233 4.364 -0.281 1.00 0.00 C ATOM 963 CD1 PHE A 508 -2.013 3.673 -1.462 1.00 0.00 C ATOM 964 CD2 PHE A 508 -3.407 5.087 -0.141 1.00 0.00 C ATOM 965 CE1 PHE A 508 -2.944 3.703 -2.483 1.00 0.00 C ATOM 966 CE2 PHE A 508 -4.342 5.120 -1.158 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.110 4.428 -2.331 1.00 0.00 C ATOM 0 H PHE A 508 -2.298 3.847 3.172 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.392 2.188 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.425 5.142 1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.229 4.510 0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -1.103 3.104 -1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -3.593 5.631 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -2.760 3.160 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -5.253 5.686 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 508 -4.839 4.454 -3.128 1.00 0.00 H new ATOM 977 N VAL A 509 0.981 1.946 1.601 1.00 0.00 N ATOM 978 CA VAL A 509 2.319 1.654 2.101 1.00 0.00 C ATOM 979 C VAL A 509 3.361 1.788 0.995 1.00 0.00 C ATOM 980 O VAL A 509 3.274 1.123 -0.037 1.00 0.00 O ATOM 981 CB VAL A 509 2.399 0.236 2.697 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.751 0.008 3.354 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.269 0.012 3.690 1.00 0.00 C ATOM 0 H VAL A 509 0.733 1.450 0.745 1.00 0.00 H new ATOM 0 HA VAL A 509 2.529 2.382 2.885 1.00 0.00 H new ATOM 0 HB VAL A 509 2.290 -0.486 1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.789 -0.999 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.541 0.124 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 509 3.895 0.735 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.341 -0.995 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.344 0.740 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.311 0.130 3.184 1.00 0.00 H new ATOM 993 N ASP A 510 4.345 2.652 1.219 1.00 0.00 N ATOM 994 CA ASP A 510 5.405 2.873 0.242 1.00 0.00 C ATOM 995 C ASP A 510 6.685 2.154 0.658 1.00 0.00 C ATOM 996 O ASP A 510 6.976 2.020 1.846 1.00 0.00 O ATOM 997 CB ASP A 510 5.675 4.369 0.080 1.00 0.00 C ATOM 998 CG ASP A 510 4.458 5.127 -0.414 1.00 0.00 C ATOM 999 OD1 ASP A 510 3.401 5.046 0.245 1.00 0.00 O ATOM 1000 OD2 ASP A 510 4.563 5.800 -1.461 1.00 0.00 O ATOM 0 H ASP A 510 4.431 3.211 2.068 1.00 0.00 H new ATOM 0 HA ASP A 510 5.075 2.466 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 510 5.994 4.783 1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.498 4.513 -0.620 1.00 0.00 H new ATOM 1005 N PHE A 511 7.446 1.693 -0.329 1.00 0.00 N ATOM 1006 CA PHE A 511 8.694 0.987 -0.067 1.00 0.00 C ATOM 1007 C PHE A 511 9.880 1.734 -0.670 1.00 0.00 C ATOM 1008 O PHE A 511 9.720 2.527 -1.597 1.00 0.00 O ATOM 1009 CB PHE A 511 8.630 -0.433 -0.633 1.00 0.00 C ATOM 1010 CG PHE A 511 8.092 -1.443 0.340 1.00 0.00 C ATOM 1011 CD1 PHE A 511 6.787 -1.355 0.799 1.00 0.00 C ATOM 1012 CD2 PHE A 511 8.890 -2.481 0.794 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.290 -2.283 1.695 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.398 -3.412 1.690 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.096 -3.313 2.140 1.00 0.00 C ATOM 0 H PHE A 511 7.220 1.796 -1.318 1.00 0.00 H new ATOM 0 HA PHE A 511 8.832 0.935 1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.005 -0.432 -1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.629 -0.737 -0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.152 -0.553 0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 511 9.908 -2.564 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.272 -2.203 2.047 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.031 -4.215 2.037 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.709 -4.040 2.839 1.00 0.00 H new ATOM 1025 N ILE A 512 11.068 1.474 -0.136 1.00 0.00 N ATOM 1026 CA ILE A 512 12.281 2.121 -0.621 1.00 0.00 C ATOM 1027 C ILE A 512 12.605 1.683 -2.045 1.00 0.00 C ATOM 1028 O ILE A 512 12.833 2.513 -2.926 1.00 0.00 O ATOM 1029 CB ILE A 512 13.486 1.812 0.287 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.134 2.088 1.750 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.694 2.634 -0.138 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.784 3.534 2.024 1.00 0.00 C ATOM 0 H ILE A 512 11.217 0.820 0.632 1.00 0.00 H new ATOM 0 HA ILE A 512 12.093 3.195 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 512 13.737 0.756 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.293 1.458 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 512 13.977 1.801 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.538 2.405 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 512 14.955 2.392 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.456 3.695 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.545 3.657 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.632 4.169 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.922 3.820 1.422 1.00 0.00 H new ATOM 1044 N THR A 513 12.623 0.372 -2.266 1.00 0.00 N ATOM 1045 CA THR A 513 12.919 -0.177 -3.583 1.00 0.00 C ATOM 1046 C THR A 513 11.788 -1.076 -4.070 1.00 0.00 C ATOM 1047 O THR A 513 10.845 -1.361 -3.331 1.00 0.00 O ATOM 1048 CB THR A 513 14.232 -0.982 -3.574 1.00 0.00 C ATOM 1049 OG1 THR A 513 14.134 -2.070 -2.648 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.408 -0.094 -3.198 1.00 0.00 C ATOM 0 H THR A 513 12.436 -0.329 -1.549 1.00 0.00 H new ATOM 0 HA THR A 513 13.025 0.669 -4.262 1.00 0.00 H new ATOM 0 HB THR A 513 14.399 -1.374 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.972 -2.578 -2.650 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.324 -0.684 -3.198 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.498 0.716 -3.922 1.00 0.00 H new ATOM 0 HG23 THR A 513 15.246 0.323 -2.204 1.00 0.00 H new ATOM 1058 N LYS A 514 11.889 -1.522 -5.318 1.00 0.00 N ATOM 1059 CA LYS A 514 10.876 -2.391 -5.904 1.00 0.00 C ATOM 1060 C LYS A 514 10.999 -3.812 -5.363 1.00 0.00 C ATOM 1061 O LYS A 514 10.049 -4.355 -4.799 1.00 0.00 O ATOM 1062 CB LYS A 514 11.004 -2.402 -7.429 1.00 0.00 C ATOM 1063 CG LYS A 514 10.280 -1.253 -8.108 1.00 0.00 C ATOM 1064 CD LYS A 514 10.961 -0.854 -9.407 1.00 0.00 C ATOM 1065 CE LYS A 514 12.096 0.129 -9.162 1.00 0.00 C ATOM 1066 NZ LYS A 514 13.380 -0.567 -8.875 1.00 0.00 N ATOM 0 H LYS A 514 12.663 -1.296 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 514 9.896 -2.000 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 514 12.060 -2.364 -7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 514 10.612 -3.344 -7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 514 9.248 -1.541 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 514 10.246 -0.396 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 514 11.349 -1.743 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 514 10.230 -0.407 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 514 12.217 0.769 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 514 11.840 0.778 -8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 14.174 0.026 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 13.460 -0.739 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 13.404 -1.475 -9.382 1.00 0.00 H new ATOM 1080 N GLN A 515 12.174 -4.407 -5.538 1.00 0.00 N ATOM 1081 CA GLN A 515 12.420 -5.765 -5.066 1.00 0.00 C ATOM 1082 C GLN A 515 11.758 -5.999 -3.712 1.00 0.00 C ATOM 1083 O GLN A 515 10.921 -6.889 -3.565 1.00 0.00 O ATOM 1084 CB GLN A 515 13.924 -6.027 -4.964 1.00 0.00 C ATOM 1085 CG GLN A 515 14.660 -5.869 -6.284 1.00 0.00 C ATOM 1086 CD GLN A 515 16.148 -6.128 -6.158 1.00 0.00 C ATOM 1087 OE1 GLN A 515 16.663 -6.335 -5.058 1.00 0.00 O ATOM 1088 NE2 GLN A 515 16.850 -6.117 -7.285 1.00 0.00 N ATOM 0 H GLN A 515 12.970 -3.971 -6.003 1.00 0.00 H new ATOM 0 HA GLN A 515 11.986 -6.458 -5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 515 14.355 -5.343 -4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 515 14.084 -7.037 -4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 515 14.236 -6.556 -7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 515 14.502 -4.860 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 515 16.383 -5.941 -8.175 1.00 0.00 H new ATOM 0 HE22 GLN A 515 17.856 -6.284 -7.261 1.00 0.00 H new ATOM 1097 N ASP A 516 12.140 -5.195 -2.726 1.00 0.00 N ATOM 1098 CA ASP A 516 11.583 -5.314 -1.383 1.00 0.00 C ATOM 1099 C ASP A 516 10.060 -5.378 -1.431 1.00 0.00 C ATOM 1100 O ASP A 516 9.450 -6.302 -0.893 1.00 0.00 O ATOM 1101 CB ASP A 516 12.030 -4.136 -0.516 1.00 0.00 C ATOM 1102 CG ASP A 516 13.466 -4.272 -0.050 1.00 0.00 C ATOM 1103 OD1 ASP A 516 14.346 -4.514 -0.902 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.710 -4.138 1.168 1.00 0.00 O ATOM 0 H ASP A 516 12.833 -4.454 -2.831 1.00 0.00 H new ATOM 0 HA ASP A 516 11.954 -6.240 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.921 -3.211 -1.081 1.00 0.00 H new ATOM 0 HB3 ASP A 516 11.375 -4.058 0.352 1.00 0.00 H new ATOM 1109 N ALA A 517 9.451 -4.389 -2.078 1.00 0.00 N ATOM 1110 CA ALA A 517 7.999 -4.333 -2.196 1.00 0.00 C ATOM 1111 C ALA A 517 7.440 -5.653 -2.718 1.00 0.00 C ATOM 1112 O ALA A 517 6.606 -6.285 -2.071 1.00 0.00 O ATOM 1113 CB ALA A 517 7.588 -3.186 -3.107 1.00 0.00 C ATOM 0 H ALA A 517 9.941 -3.616 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 517 7.584 -4.160 -1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.501 -3.156 -3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.948 -2.245 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 517 8.020 -3.335 -4.097 1.00 0.00 H new ATOM 1119 N LYS A 518 7.904 -6.062 -3.894 1.00 0.00 N ATOM 1120 CA LYS A 518 7.451 -7.307 -4.505 1.00 0.00 C ATOM 1121 C LYS A 518 7.409 -8.433 -3.477 1.00 0.00 C ATOM 1122 O LYS A 518 6.348 -8.992 -3.196 1.00 0.00 O ATOM 1123 CB LYS A 518 8.371 -7.695 -5.664 1.00 0.00 C ATOM 1124 CG LYS A 518 7.766 -8.725 -6.602 1.00 0.00 C ATOM 1125 CD LYS A 518 6.728 -8.103 -7.520 1.00 0.00 C ATOM 1126 CE LYS A 518 6.221 -9.103 -8.547 1.00 0.00 C ATOM 1127 NZ LYS A 518 5.514 -10.247 -7.906 1.00 0.00 N ATOM 0 H LYS A 518 8.594 -5.550 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 518 6.442 -7.149 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 518 8.621 -6.800 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 518 9.304 -8.087 -5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 518 8.555 -9.181 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 518 7.306 -9.523 -6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 518 5.891 -7.733 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 518 7.161 -7.243 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 518 5.546 -8.601 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 518 7.060 -9.477 -9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 5.969 -11.138 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 5.559 -10.147 -6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 4.520 -10.255 -8.210 1.00 0.00 H new ATOM 1141 N LYS A 519 8.568 -8.760 -2.916 1.00 0.00 N ATOM 1142 CA LYS A 519 8.664 -9.817 -1.917 1.00 0.00 C ATOM 1143 C LYS A 519 7.600 -9.645 -0.838 1.00 0.00 C ATOM 1144 O LYS A 519 6.701 -10.474 -0.701 1.00 0.00 O ATOM 1145 CB LYS A 519 10.056 -9.820 -1.280 1.00 0.00 C ATOM 1146 CG LYS A 519 11.055 -10.705 -2.005 1.00 0.00 C ATOM 1147 CD LYS A 519 12.481 -10.228 -1.789 1.00 0.00 C ATOM 1148 CE LYS A 519 12.930 -10.443 -0.352 1.00 0.00 C ATOM 1149 NZ LYS A 519 14.024 -9.509 0.033 1.00 0.00 N ATOM 0 H LYS A 519 9.455 -8.307 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 519 8.498 -10.771 -2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 519 10.438 -8.799 -1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.972 -10.153 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.956 -11.732 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 519 10.830 -10.711 -3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 519 13.150 -10.762 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 519 12.553 -9.170 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 519 12.082 -10.304 0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 519 13.270 -11.471 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 14.302 -9.687 1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 14.843 -9.658 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 13.692 -8.528 -0.061 1.00 0.00 H new ATOM 1163 N ALA A 520 7.707 -8.561 -0.076 1.00 0.00 N ATOM 1164 CA ALA A 520 6.752 -8.279 0.988 1.00 0.00 C ATOM 1165 C ALA A 520 5.331 -8.628 0.558 1.00 0.00 C ATOM 1166 O ALA A 520 4.723 -9.559 1.087 1.00 0.00 O ATOM 1167 CB ALA A 520 6.836 -6.816 1.398 1.00 0.00 C ATOM 0 H ALA A 520 8.445 -7.864 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 520 7.007 -8.901 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 520 6.117 -6.619 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.842 -6.595 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.609 -6.184 0.539 1.00 0.00 H new ATOM 1173 N PHE A 521 4.808 -7.877 -0.405 1.00 0.00 N ATOM 1174 CA PHE A 521 3.457 -8.107 -0.905 1.00 0.00 C ATOM 1175 C PHE A 521 3.213 -9.593 -1.148 1.00 0.00 C ATOM 1176 O PHE A 521 2.362 -10.206 -0.506 1.00 0.00 O ATOM 1177 CB PHE A 521 3.230 -7.322 -2.199 1.00 0.00 C ATOM 1178 CG PHE A 521 1.825 -7.420 -2.720 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.364 -8.595 -3.293 1.00 0.00 C ATOM 1180 CD2 PHE A 521 0.964 -6.338 -2.637 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.071 -8.687 -3.773 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.330 -6.424 -3.115 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.777 -7.601 -3.684 1.00 0.00 C ATOM 0 H PHE A 521 5.298 -7.104 -0.855 1.00 0.00 H new ATOM 0 HA PHE A 521 2.752 -7.761 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.473 -6.274 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 521 3.918 -7.687 -2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 521 2.022 -9.448 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.308 -5.416 -2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 521 -0.276 -9.608 -4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -0.991 -5.573 -3.044 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.788 -7.671 -4.058 1.00 0.00 H new ATOM 1193 N ASN A 522 3.966 -10.165 -2.082 1.00 0.00 N ATOM 1194 CA ASN A 522 3.831 -11.579 -2.412 1.00 0.00 C ATOM 1195 C ASN A 522 3.679 -12.421 -1.149 1.00 0.00 C ATOM 1196 O ASN A 522 3.047 -13.477 -1.166 1.00 0.00 O ATOM 1197 CB ASN A 522 5.046 -12.056 -3.212 1.00 0.00 C ATOM 1198 CG ASN A 522 4.894 -11.802 -4.699 1.00 0.00 C ATOM 1199 OD1 ASN A 522 5.580 -10.952 -5.268 1.00 0.00 O ATOM 1200 ND2 ASN A 522 3.993 -12.540 -5.337 1.00 0.00 N ATOM 0 H ASN A 522 4.676 -9.671 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 522 2.934 -11.700 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 522 5.939 -11.548 -2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 522 5.194 -13.122 -3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 522 3.847 -12.414 -6.339 1.00 0.00 H new ATOM 0 HD22 ASN A 522 3.447 -13.233 -4.825 1.00 0.00 H new ATOM 1207 N ALA A 523 4.261 -11.944 -0.053 1.00 0.00 N ATOM 1208 CA ALA A 523 4.188 -12.651 1.220 1.00 0.00 C ATOM 1209 C ALA A 523 2.945 -12.242 2.003 1.00 0.00 C ATOM 1210 O ALA A 523 2.333 -13.063 2.688 1.00 0.00 O ATOM 1211 CB ALA A 523 5.442 -12.390 2.041 1.00 0.00 C ATOM 0 H ALA A 523 4.788 -11.071 -0.021 1.00 0.00 H new ATOM 0 HA ALA A 523 4.120 -13.719 1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.374 -12.924 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.316 -12.738 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.535 -11.321 2.233 1.00 0.00 H new ATOM 1217 N LEU A 524 2.578 -10.970 1.899 1.00 0.00 N ATOM 1218 CA LEU A 524 1.407 -10.452 2.599 1.00 0.00 C ATOM 1219 C LEU A 524 0.120 -10.948 1.948 1.00 0.00 C ATOM 1220 O LEU A 524 -0.729 -11.550 2.608 1.00 0.00 O ATOM 1221 CB LEU A 524 1.430 -8.923 2.609 1.00 0.00 C ATOM 1222 CG LEU A 524 2.190 -8.271 3.765 1.00 0.00 C ATOM 1223 CD1 LEU A 524 1.342 -8.267 5.027 1.00 0.00 C ATOM 1224 CD2 LEU A 524 3.510 -8.989 4.008 1.00 0.00 C ATOM 0 H LEU A 524 3.074 -10.278 1.337 1.00 0.00 H new ATOM 0 HA LEU A 524 1.437 -10.817 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.869 -8.580 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.401 -8.564 2.629 1.00 0.00 H new ATOM 0 HG LEU A 524 2.406 -7.237 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 524 1.899 -7.799 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 524 0.424 -7.707 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.093 -9.292 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 524 4.037 -8.512 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 524 3.316 -10.033 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 524 4.123 -8.938 3.108 1.00 0.00 H new ATOM 1236 N CYS A 525 -0.017 -10.694 0.652 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.201 -11.117 -0.089 1.00 0.00 C ATOM 1238 C CYS A 525 -1.526 -12.580 0.194 1.00 0.00 C ATOM 1239 O CYS A 525 -2.690 -12.982 0.180 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.990 -10.909 -1.589 1.00 0.00 C ATOM 1241 SG CYS A 525 0.105 -12.127 -2.356 1.00 0.00 S ATOM 0 H CYS A 525 0.676 -10.198 0.092 1.00 0.00 H new ATOM 0 HA CYS A 525 -2.043 -10.507 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -1.958 -10.941 -2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 525 -0.579 -9.913 -1.753 1.00 0.00 H new ATOM 0 HG CYS A 525 0.220 -11.869 -3.625 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.489 -13.372 0.448 1.00 0.00 N ATOM 1248 CA HIS A 526 -0.665 -14.792 0.733 1.00 0.00 C ATOM 1249 C HIS A 526 -1.721 -15.003 1.813 1.00 0.00 C ATOM 1250 O HIS A 526 -2.718 -15.691 1.594 1.00 0.00 O ATOM 1251 CB HIS A 526 0.662 -15.413 1.173 1.00 0.00 C ATOM 1252 CG HIS A 526 0.701 -16.904 1.032 1.00 0.00 C ATOM 1253 ND1 HIS A 526 1.216 -17.738 2.002 1.00 0.00 N ATOM 1254 CD2 HIS A 526 0.283 -17.710 0.028 1.00 0.00 C ATOM 1255 CE1 HIS A 526 1.115 -18.992 1.600 1.00 0.00 C ATOM 1256 NE2 HIS A 526 0.552 -19.002 0.405 1.00 0.00 N ATOM 0 H HIS A 526 0.481 -13.055 0.462 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.002 -15.282 -0.181 1.00 0.00 H new ATOM 0 HB2 HIS A 526 1.470 -14.979 0.584 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.850 -15.150 2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 526 -0.177 -17.395 -0.897 1.00 0.00 H new ATOM 0 HE1 HIS A 526 1.438 -19.861 2.154 1.00 0.00 H new ATOM 0 HE2 HIS A 526 0.350 -19.835 -0.148 1.00 0.00 H new ATOM 1264 N SER A 527 -1.496 -14.407 2.980 1.00 0.00 N ATOM 1265 CA SER A 527 -2.426 -14.534 4.095 1.00 0.00 C ATOM 1266 C SER A 527 -2.113 -13.511 5.183 1.00 0.00 C ATOM 1267 O SER A 527 -1.133 -13.646 5.916 1.00 0.00 O ATOM 1268 CB SER A 527 -2.368 -15.948 4.677 1.00 0.00 C ATOM 1269 OG SER A 527 -3.303 -16.104 5.731 1.00 0.00 O ATOM 0 H SER A 527 -0.677 -13.831 3.177 1.00 0.00 H new ATOM 0 HA SER A 527 -3.432 -14.344 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 527 -2.574 -16.676 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 527 -1.363 -16.152 5.045 1.00 0.00 H new ATOM 0 HG SER A 527 -3.247 -17.016 6.085 1.00 0.00 H new ATOM 1275 N THR A 528 -2.953 -12.485 5.282 1.00 0.00 N ATOM 1276 CA THR A 528 -2.766 -11.438 6.278 1.00 0.00 C ATOM 1277 C THR A 528 -3.991 -11.309 7.176 1.00 0.00 C ATOM 1278 O THR A 528 -4.951 -10.614 6.839 1.00 0.00 O ATOM 1279 CB THR A 528 -2.484 -10.076 5.615 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.437 -10.210 4.648 1.00 0.00 O ATOM 1281 CG2 THR A 528 -2.091 -9.039 6.656 1.00 0.00 C ATOM 0 H THR A 528 -3.769 -12.357 4.684 1.00 0.00 H new ATOM 0 HA THR A 528 -1.905 -11.725 6.881 1.00 0.00 H new ATOM 0 HB THR A 528 -3.395 -9.742 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.714 -10.841 3.951 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.897 -8.086 6.165 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.902 -8.919 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 528 -1.192 -9.369 7.177 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.953 -11.982 8.322 1.00 0.00 N ATOM 1290 CA HIS A 529 -5.060 -11.941 9.270 1.00 0.00 C ATOM 1291 C HIS A 529 -4.750 -10.998 10.428 1.00 0.00 C ATOM 1292 O HIS A 529 -3.648 -11.015 10.978 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.354 -13.344 9.804 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.897 -14.278 8.767 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.533 -14.220 7.438 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -6.780 -15.299 8.870 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -6.170 -15.164 6.768 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -6.933 -15.833 7.614 1.00 0.00 N ATOM 0 H HIS A 529 -3.167 -12.562 8.616 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.940 -11.567 8.747 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.438 -13.766 10.217 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -6.068 -13.269 10.624 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -7.272 -15.632 9.772 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -6.082 -15.356 5.709 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -7.538 -16.619 7.373 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.727 -10.175 10.793 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.558 -9.223 11.885 1.00 0.00 C ATOM 1308 C LEU A 530 -6.873 -9.006 12.627 1.00 0.00 C ATOM 1309 O LEU A 530 -7.896 -8.693 12.019 1.00 0.00 O ATOM 1310 CB LEU A 530 -5.035 -7.889 11.349 1.00 0.00 C ATOM 1311 CG LEU A 530 -4.377 -6.965 12.375 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.985 -7.466 12.728 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -4.315 -5.540 11.846 1.00 0.00 C ATOM 0 H LEU A 530 -6.645 -10.148 10.349 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.831 -9.636 12.585 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -4.312 -8.096 10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.866 -7.354 10.888 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.983 -6.969 13.281 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.532 -6.796 13.459 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -3.055 -8.469 13.149 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -2.369 -7.492 11.829 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.844 -4.896 12.589 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.732 -5.519 10.925 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.325 -5.183 11.644 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.837 -9.174 13.944 1.00 0.00 N ATOM 1326 CA TYR A 531 -8.026 -8.997 14.770 1.00 0.00 C ATOM 1327 C TYR A 531 -9.188 -9.829 14.236 1.00 0.00 C ATOM 1328 O TYR A 531 -10.351 -9.450 14.371 1.00 0.00 O ATOM 1329 CB TYR A 531 -8.422 -7.520 14.820 1.00 0.00 C ATOM 1330 CG TYR A 531 -7.335 -6.620 15.362 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -7.041 -6.592 16.720 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.601 -5.798 14.516 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -6.049 -5.770 17.219 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.606 -4.974 15.006 1.00 0.00 C ATOM 1335 CZ TYR A 531 -5.334 -4.964 16.359 1.00 0.00 C ATOM 1336 OH TYR A 531 -4.344 -4.145 16.852 1.00 0.00 O ATOM 0 H TYR A 531 -5.998 -9.432 14.463 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.792 -9.338 15.778 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.689 -7.190 13.816 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -9.313 -7.412 15.438 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -7.597 -7.224 17.397 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.812 -5.803 13.457 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.835 -5.759 18.277 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -5.045 -4.342 14.334 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.937 -3.644 16.115 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.864 -10.966 13.629 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.891 -11.835 13.084 1.00 0.00 C ATOM 1348 C GLY A 532 -10.400 -11.358 11.739 1.00 0.00 C ATOM 1349 O GLY A 532 -11.488 -11.742 11.307 1.00 0.00 O ATOM 0 H GLY A 532 -7.909 -11.301 13.505 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.492 -12.844 12.981 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.724 -11.892 13.785 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.615 -10.516 11.074 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.994 -9.983 9.772 1.00 0.00 C ATOM 1355 C ARG A 533 -8.857 -10.142 8.767 1.00 0.00 C ATOM 1356 O ARG A 533 -7.746 -9.661 8.991 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.380 -8.508 9.893 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.646 -8.274 10.700 1.00 0.00 C ATOM 1359 CD ARG A 533 -12.284 -6.935 10.361 1.00 0.00 C ATOM 1360 NE ARG A 533 -13.372 -6.600 11.276 1.00 0.00 N ATOM 1361 CZ ARG A 533 -14.126 -5.513 11.154 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -13.911 -4.661 10.161 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -15.097 -5.277 12.026 1.00 0.00 N ATOM 0 H ARG A 533 -8.712 -10.188 11.417 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.854 -10.548 9.413 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.558 -7.963 10.357 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.514 -8.093 8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -12.357 -9.077 10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -11.412 -8.308 11.764 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.526 -6.153 10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.665 -6.963 9.340 1.00 0.00 H new ATOM 0 HE ARG A 533 -13.563 -7.235 12.051 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -13.165 -4.839 9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -14.491 -3.827 10.070 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -15.265 -5.930 12.791 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -15.675 -4.442 11.932 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.142 -10.819 7.660 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.143 -11.043 6.622 1.00 0.00 C ATOM 1379 C ARG A 534 -8.046 -9.837 5.692 1.00 0.00 C ATOM 1380 O ARG A 534 -8.914 -9.622 4.844 1.00 0.00 O ATOM 1381 CB ARG A 534 -8.486 -12.296 5.815 1.00 0.00 C ATOM 1382 CG ARG A 534 -7.277 -12.956 5.172 1.00 0.00 C ATOM 1383 CD ARG A 534 -6.954 -12.332 3.823 1.00 0.00 C ATOM 1384 NE ARG A 534 -6.313 -13.283 2.919 1.00 0.00 N ATOM 1385 CZ ARG A 534 -6.113 -13.049 1.627 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -6.501 -11.901 1.090 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -5.522 -13.964 0.869 1.00 0.00 N ATOM 0 H ARG A 534 -10.057 -11.222 7.459 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.177 -11.185 7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -8.977 -13.016 6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -9.202 -12.032 5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -6.415 -12.863 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.467 -14.022 5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -7.871 -11.960 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.299 -11.473 3.969 1.00 0.00 H new ATOM 0 HE ARG A 534 -6.002 -14.176 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -6.954 -11.194 1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -6.346 -11.724 0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -5.221 -14.848 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -5.369 -13.783 -0.123 1.00 0.00 H new ATOM 1401 N LEU A 535 -6.987 -9.053 5.856 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.776 -7.868 5.032 1.00 0.00 C ATOM 1403 C LEU A 535 -6.621 -8.247 3.563 1.00 0.00 C ATOM 1404 O LEU A 535 -6.333 -9.398 3.235 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.539 -7.104 5.507 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.519 -6.712 6.985 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -4.309 -5.843 7.291 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.805 -5.992 7.363 1.00 0.00 C ATOM 0 H LEU A 535 -6.260 -9.216 6.553 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.651 -7.226 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.659 -7.713 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.445 -6.197 4.910 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.447 -7.622 7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -4.312 -5.574 8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.397 -6.394 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -4.349 -4.937 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.773 -5.721 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.908 -5.090 6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.656 -6.649 7.183 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.811 -7.270 2.681 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.688 -7.501 1.247 1.00 0.00 C ATOM 1422 C VAL A 536 -5.500 -6.741 0.668 1.00 0.00 C ATOM 1423 O VAL A 536 -5.335 -5.545 0.911 1.00 0.00 O ATOM 1424 CB VAL A 536 -7.967 -7.078 0.499 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.820 -7.330 -0.994 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.176 -7.814 1.056 1.00 0.00 C ATOM 0 H VAL A 536 -7.051 -6.312 2.935 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.533 -8.571 1.111 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.119 -6.009 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.733 -7.025 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -6.978 -6.754 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.643 -8.391 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -10.071 -7.504 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -9.035 -8.888 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.290 -7.578 2.114 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.673 -7.443 -0.100 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.499 -6.834 -0.715 1.00 0.00 C ATOM 1438 C LEU A 537 -3.776 -6.462 -2.168 1.00 0.00 C ATOM 1439 O LEU A 537 -4.052 -7.328 -2.998 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.307 -7.790 -0.640 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.441 -7.686 0.615 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -0.503 -6.493 0.519 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -2.313 -7.583 1.858 1.00 0.00 C ATOM 0 H LEU A 537 -4.794 -8.434 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.262 -5.923 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.681 -8.811 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.673 -7.617 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 537 -0.838 -8.591 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 537 0.106 -6.435 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 537 0.146 -6.609 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.087 -5.578 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -1.679 -7.510 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -2.943 -6.696 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -2.943 -8.469 1.935 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.699 -5.169 -2.468 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.941 -4.684 -3.821 1.00 0.00 C ATOM 1457 C GLU A 538 -2.934 -3.601 -4.199 1.00 0.00 C ATOM 1458 O GLU A 538 -2.668 -2.687 -3.419 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.364 -4.136 -3.944 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.388 -5.186 -4.343 1.00 0.00 C ATOM 1461 CD GLU A 538 -7.542 -4.603 -5.135 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -7.305 -4.121 -6.262 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -8.683 -4.631 -4.628 1.00 0.00 O ATOM 0 H GLU A 538 -3.471 -4.439 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.822 -5.523 -4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.659 -3.697 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.373 -3.333 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -5.899 -5.959 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -6.775 -5.670 -3.446 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.377 -3.713 -5.400 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.399 -2.745 -5.881 1.00 0.00 C ATOM 1472 C TRP A 539 -2.080 -1.451 -6.314 1.00 0.00 C ATOM 1473 O TRP A 539 -3.225 -1.464 -6.767 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.602 -3.331 -7.048 1.00 0.00 C ATOM 1475 CG TRP A 539 0.281 -4.474 -6.648 1.00 0.00 C ATOM 1476 CD1 TRP A 539 -0.098 -5.770 -6.443 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.691 -4.423 -6.404 1.00 0.00 C ATOM 1478 NE1 TRP A 539 0.991 -6.528 -6.086 1.00 0.00 N ATOM 1479 CE2 TRP A 539 2.101 -5.725 -6.056 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.648 -3.405 -6.448 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.425 -6.033 -5.753 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.961 -3.712 -6.146 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.340 -5.016 -5.803 1.00 0.00 C ATOM 0 H TRP A 539 -2.586 -4.464 -6.058 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.717 -2.518 -5.062 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.295 -3.669 -7.819 1.00 0.00 H new ATOM 0 HB3 TRP A 539 0.010 -2.546 -7.491 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -1.106 -6.144 -6.546 1.00 0.00 H new ATOM 0 HE1 TRP A 539 0.976 -7.526 -5.877 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.366 -2.397 -6.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.719 -7.038 -5.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.708 -2.933 -6.175 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.375 -5.223 -5.573 1.00 0.00 H new ATOM 1494 N ALA A 540 -1.370 -0.337 -6.173 1.00 0.00 N ATOM 1495 CA ALA A 540 -1.907 0.964 -6.552 1.00 0.00 C ATOM 1496 C ALA A 540 -1.041 1.625 -7.620 1.00 0.00 C ATOM 1497 O ALA A 540 0.105 1.994 -7.362 1.00 0.00 O ATOM 1498 CB ALA A 540 -2.021 1.864 -5.331 1.00 0.00 C ATOM 0 H ALA A 540 -0.421 -0.309 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 540 -2.902 0.811 -6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -2.423 2.832 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -2.686 1.404 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -1.035 2.002 -4.887 1.00 0.00 H new ATOM 1504 N ASP A 541 -1.596 1.770 -8.818 1.00 0.00 N ATOM 1505 CA ASP A 541 -0.874 2.387 -9.925 1.00 0.00 C ATOM 1506 C ASP A 541 -1.154 3.886 -9.988 1.00 0.00 C ATOM 1507 O ASP A 541 -2.273 4.330 -9.728 1.00 0.00 O ATOM 1508 CB ASP A 541 -1.265 1.727 -11.248 1.00 0.00 C ATOM 1509 CG ASP A 541 -2.660 2.113 -11.698 1.00 0.00 C ATOM 1510 OD1 ASP A 541 -2.811 3.196 -12.301 1.00 0.00 O ATOM 1511 OD2 ASP A 541 -3.601 1.331 -11.448 1.00 0.00 O ATOM 0 H ASP A 541 -2.543 1.469 -9.048 1.00 0.00 H new ATOM 0 HA ASP A 541 0.193 2.241 -9.757 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -0.547 2.010 -12.018 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -1.208 0.644 -11.141 1.00 0.00 H new ATOM 1516 N SER A 542 -0.131 4.660 -10.334 1.00 0.00 N ATOM 1517 CA SER A 542 -0.265 6.109 -10.427 1.00 0.00 C ATOM 1518 C SER A 542 -0.621 6.532 -11.849 1.00 0.00 C ATOM 1519 O SER A 542 0.085 6.201 -12.800 1.00 0.00 O ATOM 1520 CB SER A 542 1.032 6.792 -9.989 1.00 0.00 C ATOM 1521 OG SER A 542 1.222 6.677 -8.590 1.00 0.00 O ATOM 0 H SER A 542 0.800 4.308 -10.555 1.00 0.00 H new ATOM 0 HA SER A 542 -1.072 6.417 -9.762 1.00 0.00 H new ATOM 0 HB2 SER A 542 1.877 6.344 -10.512 1.00 0.00 H new ATOM 0 HB3 SER A 542 1.005 7.845 -10.270 1.00 0.00 H new ATOM 0 HG SER A 542 2.058 7.120 -8.336 1.00 0.00 H new ATOM 1527 N GLU A 543 -1.722 7.265 -11.983 1.00 0.00 N ATOM 1528 CA GLU A 543 -2.173 7.732 -13.289 1.00 0.00 C ATOM 1529 C GLU A 543 -1.302 8.883 -13.785 1.00 0.00 C ATOM 1530 O GLU A 543 -1.013 9.822 -13.043 1.00 0.00 O ATOM 1531 CB GLU A 543 -3.635 8.178 -13.219 1.00 0.00 C ATOM 1532 CG GLU A 543 -3.848 9.439 -12.399 1.00 0.00 C ATOM 1533 CD GLU A 543 -5.286 9.605 -11.947 1.00 0.00 C ATOM 1534 OE1 GLU A 543 -5.789 8.716 -11.229 1.00 0.00 O ATOM 1535 OE2 GLU A 543 -5.908 10.625 -12.311 1.00 0.00 O ATOM 0 H GLU A 543 -2.317 7.548 -11.205 1.00 0.00 H new ATOM 0 HA GLU A 543 -2.087 6.904 -13.992 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -4.004 8.346 -14.231 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -4.232 7.372 -12.792 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -3.197 9.414 -11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -3.555 10.306 -12.990 1.00 0.00 H new ATOM 1542 N VAL A 544 -0.887 8.803 -15.045 1.00 0.00 N ATOM 1543 CA VAL A 544 -0.050 9.837 -15.642 1.00 0.00 C ATOM 1544 C VAL A 544 -0.777 11.176 -15.683 1.00 0.00 C ATOM 1545 O VAL A 544 -1.867 11.288 -16.245 1.00 0.00 O ATOM 1546 CB VAL A 544 0.381 9.455 -17.070 1.00 0.00 C ATOM 1547 CG1 VAL A 544 1.283 8.231 -17.047 1.00 0.00 C ATOM 1548 CG2 VAL A 544 -0.839 9.212 -17.947 1.00 0.00 C ATOM 0 H VAL A 544 -1.117 8.032 -15.673 1.00 0.00 H new ATOM 0 HA VAL A 544 0.837 9.928 -15.015 1.00 0.00 H new ATOM 0 HB VAL A 544 0.946 10.285 -17.494 1.00 0.00 H new ATOM 0 HG11 VAL A 544 1.577 7.977 -18.065 1.00 0.00 H new ATOM 0 HG12 VAL A 544 2.173 8.446 -16.455 1.00 0.00 H new ATOM 0 HG13 VAL A 544 0.747 7.392 -16.604 1.00 0.00 H new ATOM 0 HG21 VAL A 544 -0.516 8.943 -18.953 1.00 0.00 H new ATOM 0 HG22 VAL A 544 -1.433 8.400 -17.527 1.00 0.00 H new ATOM 0 HG23 VAL A 544 -1.443 10.119 -17.990 1.00 0.00 H new ATOM 1558 N THR A 545 -0.166 12.194 -15.083 1.00 0.00 N ATOM 1559 CA THR A 545 -0.755 13.526 -15.050 1.00 0.00 C ATOM 1560 C THR A 545 -0.575 14.240 -16.385 1.00 0.00 C ATOM 1561 O THR A 545 0.526 14.284 -16.934 1.00 0.00 O ATOM 1562 CB THR A 545 -0.134 14.387 -13.934 1.00 0.00 C ATOM 1563 OG1 THR A 545 -0.293 13.736 -12.668 1.00 0.00 O ATOM 1564 CG2 THR A 545 -0.783 15.762 -13.887 1.00 0.00 C ATOM 0 H THR A 545 0.737 12.120 -14.614 1.00 0.00 H new ATOM 0 HA THR A 545 -1.819 13.396 -14.850 1.00 0.00 H new ATOM 0 HB THR A 545 0.927 14.511 -14.149 1.00 0.00 H new ATOM 0 HG1 THR A 545 0.106 14.289 -11.964 1.00 0.00 H new ATOM 0 HG21 THR A 545 -0.328 16.352 -13.091 1.00 0.00 H new ATOM 0 HG22 THR A 545 -0.636 16.266 -14.842 1.00 0.00 H new ATOM 0 HG23 THR A 545 -1.850 15.654 -13.694 1.00 0.00 H new ATOM 1572 N VAL A 546 -1.664 14.799 -16.903 1.00 0.00 N ATOM 1573 CA VAL A 546 -1.627 15.513 -18.174 1.00 0.00 C ATOM 1574 C VAL A 546 -0.722 16.738 -18.090 1.00 0.00 C ATOM 1575 O VAL A 546 -1.027 17.698 -17.383 1.00 0.00 O ATOM 1576 CB VAL A 546 -3.035 15.957 -18.610 1.00 0.00 C ATOM 1577 CG1 VAL A 546 -2.971 16.723 -19.923 1.00 0.00 C ATOM 1578 CG2 VAL A 546 -3.960 14.755 -18.730 1.00 0.00 C ATOM 0 H VAL A 546 -2.583 14.771 -16.462 1.00 0.00 H new ATOM 0 HA VAL A 546 -1.228 14.820 -18.915 1.00 0.00 H new ATOM 0 HB VAL A 546 -3.439 16.623 -17.847 1.00 0.00 H new ATOM 0 HG11 VAL A 546 -3.976 17.029 -20.215 1.00 0.00 H new ATOM 0 HG12 VAL A 546 -2.345 17.606 -19.799 1.00 0.00 H new ATOM 0 HG13 VAL A 546 -2.547 16.083 -20.697 1.00 0.00 H new ATOM 0 HG21 VAL A 546 -4.951 15.088 -19.039 1.00 0.00 H new ATOM 0 HG22 VAL A 546 -3.562 14.062 -19.472 1.00 0.00 H new ATOM 0 HG23 VAL A 546 -4.031 14.252 -17.765 1.00 0.00 H new ATOM 1588 N GLN A 547 0.390 16.696 -18.816 1.00 0.00 N ATOM 1589 CA GLN A 547 1.339 17.803 -18.823 1.00 0.00 C ATOM 1590 C GLN A 547 1.227 18.608 -20.113 1.00 0.00 C ATOM 1591 O GLN A 547 1.548 18.115 -21.194 1.00 0.00 O ATOM 1592 CB GLN A 547 2.767 17.280 -18.656 1.00 0.00 C ATOM 1593 CG GLN A 547 3.086 16.089 -19.546 1.00 0.00 C ATOM 1594 CD GLN A 547 2.724 14.765 -18.901 1.00 0.00 C ATOM 1595 OE1 GLN A 547 2.808 14.612 -17.682 1.00 0.00 O ATOM 1596 NE2 GLN A 547 2.318 13.800 -19.718 1.00 0.00 N ATOM 0 H GLN A 547 0.656 15.908 -19.407 1.00 0.00 H new ATOM 0 HA GLN A 547 1.100 18.458 -17.986 1.00 0.00 H new ATOM 0 HB2 GLN A 547 3.468 18.085 -18.875 1.00 0.00 H new ATOM 0 HB3 GLN A 547 2.922 16.997 -17.615 1.00 0.00 H new ATOM 0 HG2 GLN A 547 2.547 16.189 -20.488 1.00 0.00 H new ATOM 0 HG3 GLN A 547 4.149 16.094 -19.785 1.00 0.00 H new ATOM 0 HE21 GLN A 547 2.264 13.971 -20.722 1.00 0.00 H new ATOM 0 HE22 GLN A 547 2.061 12.888 -19.341 1.00 0.00 H new ATOM 1605 N SER A 548 0.769 19.850 -19.992 1.00 0.00 N ATOM 1606 CA SER A 548 0.610 20.722 -21.150 1.00 0.00 C ATOM 1607 C SER A 548 1.906 20.804 -21.951 1.00 0.00 C ATOM 1608 O SER A 548 2.996 20.869 -21.384 1.00 0.00 O ATOM 1609 CB SER A 548 0.184 22.123 -20.705 1.00 0.00 C ATOM 1610 OG SER A 548 -1.087 22.094 -20.078 1.00 0.00 O ATOM 0 H SER A 548 0.502 20.275 -19.104 1.00 0.00 H new ATOM 0 HA SER A 548 -0.165 20.299 -21.788 1.00 0.00 H new ATOM 0 HB2 SER A 548 0.924 22.530 -20.016 1.00 0.00 H new ATOM 0 HB3 SER A 548 0.152 22.788 -21.568 1.00 0.00 H new ATOM 0 HG SER A 548 -1.336 23.001 -19.801 1.00 0.00 H new ATOM 1616 N GLY A 549 1.778 20.799 -23.274 1.00 0.00 N ATOM 1617 CA GLY A 549 2.946 20.872 -24.133 1.00 0.00 C ATOM 1618 C GLY A 549 3.550 19.509 -24.407 1.00 0.00 C ATOM 1619 O GLY A 549 2.919 18.473 -24.197 1.00 0.00 O ATOM 0 H GLY A 549 0.886 20.746 -23.767 1.00 0.00 H new ATOM 0 HA2 GLY A 549 2.670 21.340 -25.078 1.00 0.00 H new ATOM 0 HA3 GLY A 549 3.696 21.512 -23.668 1.00 0.00 H new ATOM 1623 N PRO A 550 4.802 19.498 -24.890 1.00 0.00 N ATOM 1624 CA PRO A 550 5.518 18.259 -25.205 1.00 0.00 C ATOM 1625 C PRO A 550 5.889 17.470 -23.954 1.00 0.00 C ATOM 1626 O PRO A 550 5.461 17.802 -22.849 1.00 0.00 O ATOM 1627 CB PRO A 550 6.779 18.750 -25.921 1.00 0.00 C ATOM 1628 CG PRO A 550 6.987 20.135 -25.414 1.00 0.00 C ATOM 1629 CD PRO A 550 5.614 20.696 -25.164 1.00 0.00 C ATOM 0 HA PRO A 550 4.911 17.578 -25.801 1.00 0.00 H new ATOM 0 HB2 PRO A 550 7.635 18.114 -25.697 1.00 0.00 H new ATOM 0 HB3 PRO A 550 6.649 18.740 -27.003 1.00 0.00 H new ATOM 0 HG2 PRO A 550 7.579 20.131 -24.499 1.00 0.00 H new ATOM 0 HG3 PRO A 550 7.529 20.739 -26.141 1.00 0.00 H new ATOM 0 HD2 PRO A 550 5.609 21.386 -24.321 1.00 0.00 H new ATOM 0 HD3 PRO A 550 5.241 21.246 -26.028 1.00 0.00 H new ATOM 1637 N SER A 551 6.688 16.423 -24.136 1.00 0.00 N ATOM 1638 CA SER A 551 7.114 15.584 -23.022 1.00 0.00 C ATOM 1639 C SER A 551 8.363 16.155 -22.358 1.00 0.00 C ATOM 1640 O SER A 551 8.992 15.501 -21.527 1.00 0.00 O ATOM 1641 CB SER A 551 7.386 14.158 -23.505 1.00 0.00 C ATOM 1642 OG SER A 551 8.102 14.161 -24.727 1.00 0.00 O ATOM 0 H SER A 551 7.053 16.136 -25.044 1.00 0.00 H new ATOM 0 HA SER A 551 6.310 15.564 -22.286 1.00 0.00 H new ATOM 0 HB2 SER A 551 7.954 13.617 -22.748 1.00 0.00 H new ATOM 0 HB3 SER A 551 6.442 13.628 -23.634 1.00 0.00 H new ATOM 0 HG SER A 551 8.265 13.238 -25.013 1.00 0.00 H new ATOM 1648 N SER A 552 8.716 17.381 -22.732 1.00 0.00 N ATOM 1649 CA SER A 552 9.892 18.041 -22.177 1.00 0.00 C ATOM 1650 C SER A 552 9.818 19.550 -22.387 1.00 0.00 C ATOM 1651 O SER A 552 9.761 20.028 -23.519 1.00 0.00 O ATOM 1652 CB SER A 552 11.165 17.486 -22.820 1.00 0.00 C ATOM 1653 OG SER A 552 12.285 18.300 -22.517 1.00 0.00 O ATOM 0 H SER A 552 8.204 17.937 -23.417 1.00 0.00 H new ATOM 0 HA SER A 552 9.918 17.842 -21.106 1.00 0.00 H new ATOM 0 HB2 SER A 552 11.343 16.471 -22.465 1.00 0.00 H new ATOM 0 HB3 SER A 552 11.035 17.428 -23.901 1.00 0.00 H new ATOM 0 HG SER A 552 13.086 17.924 -22.938 1.00 0.00 H new ATOM 1659 N GLY A 553 9.821 20.296 -21.286 1.00 0.00 N ATOM 1660 CA GLY A 553 9.753 21.743 -21.371 1.00 0.00 C ATOM 1661 C GLY A 553 11.095 22.367 -21.697 1.00 0.00 C ATOM 1662 O GLY A 553 11.168 23.538 -22.071 1.00 0.00 O ATOM 0 H GLY A 553 9.869 19.924 -20.337 1.00 0.00 H new ATOM 0 HA2 GLY A 553 9.029 22.026 -22.135 1.00 0.00 H new ATOM 0 HA3 GLY A 553 9.390 22.143 -20.424 1.00 0.00 H new TER 1666 GLY A 553