USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=25 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 522 ASN : amide:sc= -0.0905 X(o=-0.31,f=-0.68) USER MOD Set 1.2: A 526 HIS : no HE2:sc= -0.215 K(o=-0.31,f=-1.7) 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= -0.0403 USER MOD Single : A 452 SER OG : rot -5:sc= 0.601 USER MOD Single : A 454 GLN : amide:sc= -0.066 K(o=-0.066,f=-1.4!) USER MOD Single : A 457 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 459 GLN : amide:sc= -1.03 K(o=-1,f=-0.15) USER MOD Single : A 460 THR OG1 : rot 180:sc= 0 USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 SER OG : rot 56:sc= 0.607 USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 ASN : amide:sc= 0.671 K(o=0.67,f=-0.67) USER MOD Single : A 472 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.32) USER MOD Single : A 474 ASN : amide:sc= 0.15 K(o=0.15,f=-3.9!) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 495 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 498 THR OG1 : rot 180:sc= 0 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HE2:sc= -3.5! C(o=-3.5!,f=-4.9!) USER MOD Single : A 513 THR OG1 : rot 28:sc= -0.66 USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 518 LYS NZ :NH3+ -168:sc= 0.566 (180deg=0.483) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 525 CYS SG : rot 180:sc= 0 USER MOD Single : A 527 SER OG : rot 35:sc= 1.05 USER MOD Single : A 528 THR OG1 : rot -27:sc= -0.118 USER MOD Single : A 529 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-0.72) 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 50:sc= 0.624 USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 548 SER OG : rot 180:sc= 0 USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 552 SER OG : rot 28:sc= 0.0454 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 447 -14.086 -18.490 -2.617 1.00 0.00 N ATOM 2 CA GLY A 447 -13.483 -17.401 -1.871 1.00 0.00 C ATOM 3 C GLY A 447 -13.016 -16.272 -2.768 1.00 0.00 C ATOM 4 O GLY A 447 -13.779 -15.769 -3.592 1.00 0.00 O ATOM 0 HA2 GLY A 447 -14.205 -17.014 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 447 -12.636 -17.781 -1.300 1.00 0.00 H new ATOM 8 N SER A 448 -11.758 -15.873 -2.608 1.00 0.00 N ATOM 9 CA SER A 448 -11.192 -14.792 -3.407 1.00 0.00 C ATOM 10 C SER A 448 -10.784 -15.295 -4.789 1.00 0.00 C ATOM 11 O SER A 448 -9.678 -15.800 -4.976 1.00 0.00 O ATOM 12 CB SER A 448 -9.982 -14.184 -2.696 1.00 0.00 C ATOM 13 OG SER A 448 -10.383 -13.411 -1.578 1.00 0.00 O ATOM 0 H SER A 448 -11.112 -16.282 -1.933 1.00 0.00 H new ATOM 0 HA SER A 448 -11.956 -14.025 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 448 -9.310 -14.978 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 448 -9.423 -13.559 -3.393 1.00 0.00 H new ATOM 0 HG SER A 448 -9.591 -13.035 -1.140 1.00 0.00 H new ATOM 19 N SER A 449 -11.687 -15.151 -5.754 1.00 0.00 N ATOM 20 CA SER A 449 -11.424 -15.593 -7.118 1.00 0.00 C ATOM 21 C SER A 449 -10.033 -15.162 -7.571 1.00 0.00 C ATOM 22 O SER A 449 -9.198 -15.993 -7.926 1.00 0.00 O ATOM 23 CB SER A 449 -12.480 -15.030 -8.072 1.00 0.00 C ATOM 24 OG SER A 449 -13.620 -15.870 -8.124 1.00 0.00 O ATOM 0 H SER A 449 -12.607 -14.732 -5.616 1.00 0.00 H new ATOM 0 HA SER A 449 -11.472 -16.682 -7.135 1.00 0.00 H new ATOM 0 HB2 SER A 449 -12.774 -14.032 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 449 -12.055 -14.927 -9.070 1.00 0.00 H new ATOM 0 HG SER A 449 -14.280 -15.488 -8.739 1.00 0.00 H new ATOM 30 N GLY A 450 -9.790 -13.855 -7.554 1.00 0.00 N ATOM 31 CA GLY A 450 -8.499 -13.334 -7.965 1.00 0.00 C ATOM 32 C GLY A 450 -8.400 -13.148 -9.466 1.00 0.00 C ATOM 33 O GLY A 450 -8.030 -14.072 -10.190 1.00 0.00 O ATOM 0 H GLY A 450 -10.464 -13.147 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -8.322 -12.378 -7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -7.714 -14.014 -7.634 1.00 0.00 H new ATOM 37 N SER A 451 -8.732 -11.949 -9.935 1.00 0.00 N ATOM 38 CA SER A 451 -8.684 -11.646 -11.360 1.00 0.00 C ATOM 39 C SER A 451 -7.302 -11.139 -11.762 1.00 0.00 C ATOM 40 O SER A 451 -6.670 -11.678 -12.670 1.00 0.00 O ATOM 41 CB SER A 451 -9.746 -10.605 -11.718 1.00 0.00 C ATOM 42 OG SER A 451 -9.638 -9.460 -10.889 1.00 0.00 O ATOM 0 H SER A 451 -9.037 -11.172 -9.349 1.00 0.00 H new ATOM 0 HA SER A 451 -8.888 -12.566 -11.909 1.00 0.00 H new ATOM 0 HB2 SER A 451 -9.636 -10.313 -12.762 1.00 0.00 H new ATOM 0 HB3 SER A 451 -10.739 -11.042 -11.612 1.00 0.00 H new ATOM 0 HG SER A 451 -10.327 -8.809 -11.139 1.00 0.00 H new ATOM 48 N SER A 452 -6.840 -10.097 -11.077 1.00 0.00 N ATOM 49 CA SER A 452 -5.535 -9.513 -11.364 1.00 0.00 C ATOM 50 C SER A 452 -5.308 -9.400 -12.868 1.00 0.00 C ATOM 51 O SER A 452 -4.211 -9.652 -13.363 1.00 0.00 O ATOM 52 CB SER A 452 -4.425 -10.356 -10.732 1.00 0.00 C ATOM 53 OG SER A 452 -4.298 -11.606 -11.387 1.00 0.00 O ATOM 0 H SER A 452 -7.350 -9.641 -10.320 1.00 0.00 H new ATOM 0 HA SER A 452 -5.511 -8.512 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 452 -3.479 -9.816 -10.785 1.00 0.00 H new ATOM 0 HB3 SER A 452 -4.642 -10.516 -9.676 1.00 0.00 H new ATOM 0 HG SER A 452 -5.009 -11.699 -12.055 1.00 0.00 H new ATOM 59 N GLY A 453 -6.357 -9.018 -13.591 1.00 0.00 N ATOM 60 CA GLY A 453 -6.254 -8.877 -15.032 1.00 0.00 C ATOM 61 C GLY A 453 -5.935 -7.457 -15.454 1.00 0.00 C ATOM 62 O GLY A 453 -6.818 -6.722 -15.895 1.00 0.00 O ATOM 0 H GLY A 453 -7.276 -8.804 -13.204 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.479 -9.546 -15.405 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -7.192 -9.188 -15.492 1.00 0.00 H new ATOM 66 N GLN A 454 -4.671 -7.071 -15.319 1.00 0.00 N ATOM 67 CA GLN A 454 -4.239 -5.728 -15.688 1.00 0.00 C ATOM 68 C GLN A 454 -2.723 -5.597 -15.592 1.00 0.00 C ATOM 69 O GLN A 454 -2.101 -6.124 -14.669 1.00 0.00 O ATOM 70 CB GLN A 454 -4.910 -4.688 -14.789 1.00 0.00 C ATOM 71 CG GLN A 454 -4.913 -3.286 -15.377 1.00 0.00 C ATOM 72 CD GLN A 454 -6.021 -3.080 -16.391 1.00 0.00 C ATOM 73 OE1 GLN A 454 -7.078 -3.705 -16.307 1.00 0.00 O ATOM 74 NE2 GLN A 454 -5.784 -2.199 -17.356 1.00 0.00 N ATOM 0 H GLN A 454 -3.928 -7.669 -14.957 1.00 0.00 H new ATOM 0 HA GLN A 454 -4.536 -5.550 -16.722 1.00 0.00 H new ATOM 0 HB2 GLN A 454 -5.938 -4.995 -14.598 1.00 0.00 H new ATOM 0 HB3 GLN A 454 -4.399 -4.668 -13.826 1.00 0.00 H new ATOM 0 HG2 GLN A 454 -5.023 -2.559 -14.572 1.00 0.00 H new ATOM 0 HG3 GLN A 454 -3.951 -3.093 -15.852 1.00 0.00 H new ATOM 0 HE21 GLN A 454 -4.893 -1.704 -17.387 1.00 0.00 H new ATOM 0 HE22 GLN A 454 -6.493 -2.018 -18.067 1.00 0.00 H new ATOM 83 N VAL A 455 -2.132 -4.893 -16.552 1.00 0.00 N ATOM 84 CA VAL A 455 -0.688 -4.692 -16.575 1.00 0.00 C ATOM 85 C VAL A 455 -0.335 -3.295 -17.072 1.00 0.00 C ATOM 86 O VAL A 455 -1.018 -2.719 -17.919 1.00 0.00 O ATOM 87 CB VAL A 455 0.009 -5.734 -17.471 1.00 0.00 C ATOM 88 CG1 VAL A 455 0.144 -7.061 -16.740 1.00 0.00 C ATOM 89 CG2 VAL A 455 -0.753 -5.910 -18.775 1.00 0.00 C ATOM 0 H VAL A 455 -2.631 -4.452 -17.324 1.00 0.00 H new ATOM 0 HA VAL A 455 -0.336 -4.810 -15.550 1.00 0.00 H new ATOM 0 HB VAL A 455 1.010 -5.373 -17.708 1.00 0.00 H new ATOM 0 HG11 VAL A 455 0.638 -7.785 -17.388 1.00 0.00 H new ATOM 0 HG12 VAL A 455 0.736 -6.920 -15.836 1.00 0.00 H new ATOM 0 HG13 VAL A 455 -0.846 -7.431 -16.472 1.00 0.00 H new ATOM 0 HG21 VAL A 455 -0.247 -6.649 -19.395 1.00 0.00 H new ATOM 0 HG22 VAL A 455 -1.767 -6.249 -18.561 1.00 0.00 H new ATOM 0 HG23 VAL A 455 -0.793 -4.958 -19.305 1.00 0.00 H new ATOM 99 N PRO A 456 0.758 -2.734 -16.533 1.00 0.00 N ATOM 100 CA PRO A 456 1.228 -1.397 -16.906 1.00 0.00 C ATOM 101 C PRO A 456 1.786 -1.354 -18.325 1.00 0.00 C ATOM 102 O PRO A 456 2.038 -2.393 -18.936 1.00 0.00 O ATOM 103 CB PRO A 456 2.335 -1.112 -15.888 1.00 0.00 C ATOM 104 CG PRO A 456 2.819 -2.458 -15.469 1.00 0.00 C ATOM 105 CD PRO A 456 1.620 -3.363 -15.517 1.00 0.00 C ATOM 0 HA PRO A 456 0.421 -0.664 -16.895 1.00 0.00 H new ATOM 0 HB2 PRO A 456 3.138 -0.523 -16.331 1.00 0.00 H new ATOM 0 HB3 PRO A 456 1.955 -0.545 -15.038 1.00 0.00 H new ATOM 0 HG2 PRO A 456 3.604 -2.815 -16.135 1.00 0.00 H new ATOM 0 HG3 PRO A 456 3.243 -2.425 -14.465 1.00 0.00 H new ATOM 0 HD2 PRO A 456 1.895 -4.380 -15.797 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.122 -3.423 -14.549 1.00 0.00 H new ATOM 113 N LYS A 457 1.976 -0.146 -18.845 1.00 0.00 N ATOM 114 CA LYS A 457 2.505 0.034 -20.191 1.00 0.00 C ATOM 115 C LYS A 457 4.024 0.179 -20.164 1.00 0.00 C ATOM 116 O LYS A 457 4.555 1.278 -20.328 1.00 0.00 O ATOM 117 CB LYS A 457 1.876 1.264 -20.849 1.00 0.00 C ATOM 118 CG LYS A 457 0.578 0.966 -21.579 1.00 0.00 C ATOM 119 CD LYS A 457 0.832 0.286 -22.914 1.00 0.00 C ATOM 120 CE LYS A 457 1.120 1.300 -24.010 1.00 0.00 C ATOM 121 NZ LYS A 457 1.393 0.641 -25.317 1.00 0.00 N ATOM 0 H LYS A 457 1.771 0.724 -18.353 1.00 0.00 H new ATOM 0 HA LYS A 457 2.252 -0.851 -20.775 1.00 0.00 H new ATOM 0 HB2 LYS A 457 1.688 2.018 -20.085 1.00 0.00 H new ATOM 0 HB3 LYS A 457 2.589 1.694 -21.553 1.00 0.00 H new ATOM 0 HG2 LYS A 457 -0.051 0.328 -20.959 1.00 0.00 H new ATOM 0 HG3 LYS A 457 0.029 1.894 -21.741 1.00 0.00 H new ATOM 0 HD2 LYS A 457 1.675 -0.399 -22.820 1.00 0.00 H new ATOM 0 HD3 LYS A 457 -0.036 -0.313 -23.190 1.00 0.00 H new ATOM 0 HE2 LYS A 457 0.270 1.974 -24.114 1.00 0.00 H new ATOM 0 HE3 LYS A 457 1.977 1.910 -23.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 457 1.585 1.366 -26.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 457 2.220 0.017 -25.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 457 0.565 0.079 -25.602 1.00 0.00 H new ATOM 135 N LYS A 458 4.717 -0.935 -19.956 1.00 0.00 N ATOM 136 CA LYS A 458 6.174 -0.933 -19.910 1.00 0.00 C ATOM 137 C LYS A 458 6.681 -0.064 -18.764 1.00 0.00 C ATOM 138 O LYS A 458 7.723 0.582 -18.877 1.00 0.00 O ATOM 139 CB LYS A 458 6.746 -0.429 -21.237 1.00 0.00 C ATOM 140 CG LYS A 458 6.520 -1.383 -22.398 1.00 0.00 C ATOM 141 CD LYS A 458 7.623 -1.268 -23.437 1.00 0.00 C ATOM 142 CE LYS A 458 7.774 -2.555 -24.233 1.00 0.00 C ATOM 143 NZ LYS A 458 6.577 -2.830 -25.075 1.00 0.00 N ATOM 0 H LYS A 458 4.292 -1.852 -19.816 1.00 0.00 H new ATOM 0 HA LYS A 458 6.508 -1.957 -19.742 1.00 0.00 H new ATOM 0 HB2 LYS A 458 6.294 0.534 -21.476 1.00 0.00 H new ATOM 0 HB3 LYS A 458 7.816 -0.259 -21.120 1.00 0.00 H new ATOM 0 HG2 LYS A 458 6.475 -2.406 -22.026 1.00 0.00 H new ATOM 0 HG3 LYS A 458 5.557 -1.170 -22.863 1.00 0.00 H new ATOM 0 HD2 LYS A 458 7.402 -0.443 -24.115 1.00 0.00 H new ATOM 0 HD3 LYS A 458 8.566 -1.031 -22.944 1.00 0.00 H new ATOM 0 HE2 LYS A 458 8.657 -2.488 -24.868 1.00 0.00 H new ATOM 0 HE3 LYS A 458 7.936 -3.388 -23.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 6.719 -3.715 -25.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 5.738 -2.920 -24.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 6.437 -2.047 -25.745 1.00 0.00 H new ATOM 157 N GLN A 459 5.938 -0.054 -17.662 1.00 0.00 N ATOM 158 CA GLN A 459 6.314 0.736 -16.495 1.00 0.00 C ATOM 159 C GLN A 459 6.004 -0.017 -15.205 1.00 0.00 C ATOM 160 O GLN A 459 4.910 -0.556 -15.035 1.00 0.00 O ATOM 161 CB GLN A 459 5.581 2.079 -16.504 1.00 0.00 C ATOM 162 CG GLN A 459 6.205 3.106 -17.434 1.00 0.00 C ATOM 163 CD GLN A 459 5.240 4.212 -17.814 1.00 0.00 C ATOM 164 OE1 GLN A 459 4.356 4.020 -18.649 1.00 0.00 O ATOM 165 NE2 GLN A 459 5.405 5.379 -17.202 1.00 0.00 N ATOM 0 H GLN A 459 5.073 -0.583 -17.553 1.00 0.00 H new ATOM 0 HA GLN A 459 7.388 0.916 -16.540 1.00 0.00 H new ATOM 0 HB2 GLN A 459 4.545 1.916 -16.799 1.00 0.00 H new ATOM 0 HB3 GLN A 459 5.564 2.481 -15.491 1.00 0.00 H new ATOM 0 HG2 GLN A 459 7.080 3.542 -16.952 1.00 0.00 H new ATOM 0 HG3 GLN A 459 6.554 2.607 -18.338 1.00 0.00 H new ATOM 0 HE21 GLN A 459 6.151 5.494 -16.516 1.00 0.00 H new ATOM 0 HE22 GLN A 459 4.786 6.160 -17.418 1.00 0.00 H new ATOM 174 N THR A 460 6.975 -0.052 -14.298 1.00 0.00 N ATOM 175 CA THR A 460 6.807 -0.740 -13.025 1.00 0.00 C ATOM 176 C THR A 460 6.685 0.254 -11.875 1.00 0.00 C ATOM 177 O THR A 460 7.401 1.254 -11.826 1.00 0.00 O ATOM 178 CB THR A 460 7.984 -1.693 -12.742 1.00 0.00 C ATOM 179 OG1 THR A 460 8.123 -2.631 -13.814 1.00 0.00 O ATOM 180 CG2 THR A 460 7.773 -2.439 -11.433 1.00 0.00 C ATOM 0 H THR A 460 7.887 0.389 -14.422 1.00 0.00 H new ATOM 0 HA THR A 460 5.888 -1.321 -13.099 1.00 0.00 H new ATOM 0 HB THR A 460 8.893 -1.098 -12.660 1.00 0.00 H new ATOM 0 HG1 THR A 460 8.874 -3.232 -13.627 1.00 0.00 H new ATOM 0 HG21 THR A 460 8.616 -3.106 -11.254 1.00 0.00 H new ATOM 0 HG22 THR A 460 7.696 -1.723 -10.615 1.00 0.00 H new ATOM 0 HG23 THR A 460 6.855 -3.023 -11.491 1.00 0.00 H new ATOM 188 N THR A 461 5.773 -0.029 -10.949 1.00 0.00 N ATOM 189 CA THR A 461 5.557 0.840 -9.799 1.00 0.00 C ATOM 190 C THR A 461 5.495 0.036 -8.506 1.00 0.00 C ATOM 191 O THR A 461 5.054 -1.114 -8.499 1.00 0.00 O ATOM 192 CB THR A 461 4.258 1.655 -9.947 1.00 0.00 C ATOM 193 OG1 THR A 461 4.129 2.573 -8.856 1.00 0.00 O ATOM 194 CG2 THR A 461 3.046 0.737 -9.990 1.00 0.00 C ATOM 0 H THR A 461 5.173 -0.853 -10.974 1.00 0.00 H new ATOM 0 HA THR A 461 6.404 1.525 -9.757 1.00 0.00 H new ATOM 0 HB THR A 461 4.307 2.210 -10.884 1.00 0.00 H new ATOM 0 HG1 THR A 461 3.302 3.088 -8.958 1.00 0.00 H new ATOM 0 HG21 THR A 461 2.140 1.335 -10.095 1.00 0.00 H new ATOM 0 HG22 THR A 461 3.133 0.059 -10.839 1.00 0.00 H new ATOM 0 HG23 THR A 461 2.994 0.159 -9.067 1.00 0.00 H new ATOM 202 N SER A 462 5.938 0.647 -7.412 1.00 0.00 N ATOM 203 CA SER A 462 5.935 -0.014 -6.112 1.00 0.00 C ATOM 204 C SER A 462 4.931 0.643 -5.171 1.00 0.00 C ATOM 205 O SER A 462 5.279 1.536 -4.398 1.00 0.00 O ATOM 206 CB SER A 462 7.334 0.025 -5.493 1.00 0.00 C ATOM 207 OG SER A 462 7.804 1.357 -5.380 1.00 0.00 O ATOM 0 H SER A 462 6.304 1.599 -7.400 1.00 0.00 H new ATOM 0 HA SER A 462 5.641 -1.053 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.313 -0.441 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 462 8.023 -0.556 -6.106 1.00 0.00 H new ATOM 0 HG SER A 462 7.159 1.889 -4.868 1.00 0.00 H new ATOM 213 N LYS A 463 3.682 0.195 -5.241 1.00 0.00 N ATOM 214 CA LYS A 463 2.625 0.736 -4.395 1.00 0.00 C ATOM 215 C LYS A 463 1.796 -0.384 -3.776 1.00 0.00 C ATOM 216 O LYS A 463 1.158 -1.162 -4.487 1.00 0.00 O ATOM 217 CB LYS A 463 1.721 1.667 -5.207 1.00 0.00 C ATOM 218 CG LYS A 463 2.186 3.113 -5.215 1.00 0.00 C ATOM 219 CD LYS A 463 1.616 3.888 -4.039 1.00 0.00 C ATOM 220 CE LYS A 463 1.474 5.368 -4.363 1.00 0.00 C ATOM 221 NZ LYS A 463 0.227 5.651 -5.126 1.00 0.00 N ATOM 0 H LYS A 463 3.377 -0.543 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 463 3.092 1.304 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.670 1.305 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 463 0.710 1.622 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 463 3.275 3.146 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 463 1.882 3.589 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 463 0.643 3.478 -3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.265 3.765 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 463 1.472 5.944 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 463 2.337 5.698 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 0.167 6.670 -5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 0.240 5.121 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -0.598 5.360 -4.563 1.00 0.00 H new ATOM 235 N ILE A 464 1.807 -0.459 -2.450 1.00 0.00 N ATOM 236 CA ILE A 464 1.054 -1.483 -1.737 1.00 0.00 C ATOM 237 C ILE A 464 -0.125 -0.874 -0.985 1.00 0.00 C ATOM 238 O ILE A 464 0.053 -0.191 0.024 1.00 0.00 O ATOM 239 CB ILE A 464 1.945 -2.246 -0.739 1.00 0.00 C ATOM 240 CG1 ILE A 464 3.138 -2.873 -1.463 1.00 0.00 C ATOM 241 CG2 ILE A 464 1.137 -3.312 -0.015 1.00 0.00 C ATOM 242 CD1 ILE A 464 4.153 -3.494 -0.530 1.00 0.00 C ATOM 0 H ILE A 464 2.329 0.177 -1.847 1.00 0.00 H new ATOM 0 HA ILE A 464 0.683 -2.181 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 464 2.323 -1.541 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.775 -3.636 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.630 -2.109 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.781 -3.842 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.318 -2.841 0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.732 -4.017 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.971 -3.919 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.545 -2.730 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.676 -4.281 0.054 1.00 0.00 H new ATOM 254 N LEU A 465 -1.331 -1.127 -1.483 1.00 0.00 N ATOM 255 CA LEU A 465 -2.541 -0.606 -0.857 1.00 0.00 C ATOM 256 C LEU A 465 -3.326 -1.722 -0.175 1.00 0.00 C ATOM 257 O LEU A 465 -3.933 -2.563 -0.838 1.00 0.00 O ATOM 258 CB LEU A 465 -3.420 0.087 -1.900 1.00 0.00 C ATOM 259 CG LEU A 465 -4.889 0.277 -1.521 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.020 1.273 -0.378 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.696 0.737 -2.726 1.00 0.00 C ATOM 0 H LEU A 465 -1.496 -1.689 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.245 0.120 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -2.991 1.066 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.376 -0.490 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.286 -0.682 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.072 1.396 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.475 0.903 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.606 2.234 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.739 0.867 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.299 1.685 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.629 -0.011 -3.516 1.00 0.00 H new ATOM 273 N VAL A 466 -3.311 -1.722 1.154 1.00 0.00 N ATOM 274 CA VAL A 466 -4.024 -2.732 1.927 1.00 0.00 C ATOM 275 C VAL A 466 -5.433 -2.265 2.274 1.00 0.00 C ATOM 276 O VAL A 466 -5.624 -1.162 2.785 1.00 0.00 O ATOM 277 CB VAL A 466 -3.274 -3.077 3.227 1.00 0.00 C ATOM 278 CG1 VAL A 466 -3.075 -1.831 4.076 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.022 -4.149 4.005 1.00 0.00 C ATOM 0 H VAL A 466 -2.813 -1.034 1.718 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.084 -3.624 1.304 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.291 -3.469 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.543 -2.095 4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.493 -1.099 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -4.046 -1.405 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.478 -4.380 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.019 -3.787 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.106 -5.049 3.396 1.00 0.00 H new ATOM 289 N ARG A 467 -6.417 -3.114 1.995 1.00 0.00 N ATOM 290 CA ARG A 467 -7.810 -2.788 2.278 1.00 0.00 C ATOM 291 C ARG A 467 -8.403 -3.766 3.287 1.00 0.00 C ATOM 292 O ARG A 467 -7.789 -4.779 3.619 1.00 0.00 O ATOM 293 CB ARG A 467 -8.632 -2.807 0.988 1.00 0.00 C ATOM 294 CG ARG A 467 -8.673 -1.467 0.271 1.00 0.00 C ATOM 295 CD ARG A 467 -9.255 -1.601 -1.128 1.00 0.00 C ATOM 296 NE ARG A 467 -9.355 -0.311 -1.805 1.00 0.00 N ATOM 297 CZ ARG A 467 -10.203 0.645 -1.442 1.00 0.00 C ATOM 298 NH1 ARG A 467 -11.019 0.457 -0.415 1.00 0.00 N ATOM 299 NH2 ARG A 467 -10.235 1.792 -2.108 1.00 0.00 N ATOM 0 H ARG A 467 -6.276 -4.032 1.574 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.843 -1.787 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.218 -3.557 0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.651 -3.116 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -9.271 -0.762 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.666 -1.055 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -8.631 -2.272 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -10.244 -2.056 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 467 -8.740 -0.134 -2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -10.997 -0.424 0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -11.669 1.193 -0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -9.608 1.940 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -10.886 2.526 -1.829 1.00 0.00 H new ATOM 313 N ASN A 468 -9.602 -3.456 3.770 1.00 0.00 N ATOM 314 CA ASN A 468 -10.278 -4.307 4.742 1.00 0.00 C ATOM 315 C ASN A 468 -9.490 -4.374 6.047 1.00 0.00 C ATOM 316 O ASN A 468 -9.320 -5.447 6.627 1.00 0.00 O ATOM 317 CB ASN A 468 -10.466 -5.715 4.174 1.00 0.00 C ATOM 318 CG ASN A 468 -11.703 -6.400 4.724 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.767 -5.791 4.832 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.567 -7.673 5.076 1.00 0.00 N ATOM 0 H ASN A 468 -10.125 -2.622 3.504 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.256 -3.873 4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.538 -5.659 3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.587 -6.317 4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.364 -8.186 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.666 -8.138 4.969 1.00 0.00 H new ATOM 327 N ILE A 469 -9.013 -3.221 6.504 1.00 0.00 N ATOM 328 CA ILE A 469 -8.246 -3.149 7.741 1.00 0.00 C ATOM 329 C ILE A 469 -9.163 -2.986 8.948 1.00 0.00 C ATOM 330 O ILE A 469 -10.137 -2.234 8.922 1.00 0.00 O ATOM 331 CB ILE A 469 -7.241 -1.982 7.713 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.264 -2.150 6.548 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.490 -1.897 9.033 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.367 -0.950 6.334 1.00 0.00 C ATOM 0 H ILE A 469 -9.144 -2.324 6.036 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.699 -4.088 7.828 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.791 -1.052 7.570 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.645 -3.029 6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.829 -2.339 5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.784 -1.067 8.997 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.199 -1.735 9.845 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -5.948 -2.827 9.204 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.701 -1.139 5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -5.978 -0.072 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.776 -0.773 7.232 1.00 0.00 H new ATOM 346 N PRO A 470 -8.845 -3.707 10.034 1.00 0.00 N ATOM 347 CA PRO A 470 -9.626 -3.658 11.273 1.00 0.00 C ATOM 348 C PRO A 470 -9.484 -2.323 11.997 1.00 0.00 C ATOM 349 O PRO A 470 -8.409 -1.721 12.004 1.00 0.00 O ATOM 350 CB PRO A 470 -9.029 -4.789 12.115 1.00 0.00 C ATOM 351 CG PRO A 470 -7.638 -4.947 11.603 1.00 0.00 C ATOM 352 CD PRO A 470 -7.697 -4.624 10.136 1.00 0.00 C ATOM 0 HA PRO A 470 -10.694 -3.766 11.085 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.035 -4.539 13.176 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.600 -5.711 12.002 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -6.953 -4.277 12.123 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.276 -5.962 11.765 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.776 -4.155 9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -7.844 -5.520 9.533 1.00 0.00 H new ATOM 360 N PHE A 471 -10.573 -1.865 12.605 1.00 0.00 N ATOM 361 CA PHE A 471 -10.569 -0.601 13.331 1.00 0.00 C ATOM 362 C PHE A 471 -9.444 -0.569 14.362 1.00 0.00 C ATOM 363 O PHE A 471 -8.805 0.463 14.566 1.00 0.00 O ATOM 364 CB PHE A 471 -11.916 -0.381 14.022 1.00 0.00 C ATOM 365 CG PHE A 471 -11.929 0.802 14.948 1.00 0.00 C ATOM 366 CD1 PHE A 471 -12.019 2.090 14.446 1.00 0.00 C ATOM 367 CD2 PHE A 471 -11.851 0.625 16.320 1.00 0.00 C ATOM 368 CE1 PHE A 471 -12.030 3.180 15.296 1.00 0.00 C ATOM 369 CE2 PHE A 471 -11.862 1.711 17.175 1.00 0.00 C ATOM 370 CZ PHE A 471 -11.953 2.990 16.662 1.00 0.00 C ATOM 0 H PHE A 471 -11.470 -2.351 12.609 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.402 0.201 12.612 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.687 -0.247 13.263 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -12.176 -1.277 14.586 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -12.081 2.244 13.379 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -11.781 -0.373 16.726 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -12.099 4.179 14.892 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -11.800 1.560 18.243 1.00 0.00 H new ATOM 0 HZ PHE A 471 -11.964 3.840 17.328 1.00 0.00 H new ATOM 380 N GLN A 472 -9.210 -1.707 15.008 1.00 0.00 N ATOM 381 CA GLN A 472 -8.164 -1.809 16.019 1.00 0.00 C ATOM 382 C GLN A 472 -6.803 -1.450 15.432 1.00 0.00 C ATOM 383 O GLN A 472 -6.023 -0.724 16.047 1.00 0.00 O ATOM 384 CB GLN A 472 -8.125 -3.223 16.601 1.00 0.00 C ATOM 385 CG GLN A 472 -7.611 -3.278 18.030 1.00 0.00 C ATOM 386 CD GLN A 472 -8.537 -2.587 19.011 1.00 0.00 C ATOM 387 OE1 GLN A 472 -8.318 -1.435 19.384 1.00 0.00 O ATOM 388 NE2 GLN A 472 -9.582 -3.290 19.435 1.00 0.00 N ATOM 0 H GLN A 472 -9.730 -2.570 14.850 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.393 -1.102 16.816 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -9.128 -3.649 16.568 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -7.492 -3.849 15.972 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -7.485 -4.319 18.327 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -6.627 -2.812 18.076 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -9.726 -4.243 19.100 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -10.240 -2.877 20.096 1.00 0.00 H new ATOM 397 N ALA A 473 -6.525 -1.963 14.238 1.00 0.00 N ATOM 398 CA ALA A 473 -5.259 -1.695 13.567 1.00 0.00 C ATOM 399 C ALA A 473 -5.045 -0.197 13.377 1.00 0.00 C ATOM 400 O ALA A 473 -5.973 0.534 13.036 1.00 0.00 O ATOM 401 CB ALA A 473 -5.210 -2.411 12.226 1.00 0.00 C ATOM 0 H ALA A 473 -7.160 -2.567 13.715 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.455 -2.074 14.198 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.259 -2.202 11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.309 -3.485 12.383 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.027 -2.060 11.596 1.00 0.00 H new ATOM 407 N ASN A 474 -3.814 0.253 13.602 1.00 0.00 N ATOM 408 CA ASN A 474 -3.479 1.665 13.457 1.00 0.00 C ATOM 409 C ASN A 474 -2.210 1.840 12.628 1.00 0.00 C ATOM 410 O ASN A 474 -1.586 0.862 12.217 1.00 0.00 O ATOM 411 CB ASN A 474 -3.297 2.311 14.832 1.00 0.00 C ATOM 412 CG ASN A 474 -2.504 1.435 15.782 1.00 0.00 C ATOM 413 OD1 ASN A 474 -1.441 0.923 15.432 1.00 0.00 O ATOM 414 ND2 ASN A 474 -3.021 1.258 16.993 1.00 0.00 N ATOM 0 H ASN A 474 -3.033 -0.339 13.885 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.302 2.157 12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.790 3.269 14.716 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -4.275 2.519 15.265 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -2.533 0.678 17.676 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.905 1.702 17.240 1.00 0.00 H new ATOM 421 N GLN A 475 -1.835 3.092 12.387 1.00 0.00 N ATOM 422 CA GLN A 475 -0.641 3.395 11.608 1.00 0.00 C ATOM 423 C GLN A 475 0.534 2.530 12.053 1.00 0.00 C ATOM 424 O GLN A 475 1.035 1.705 11.288 1.00 0.00 O ATOM 425 CB GLN A 475 -0.279 4.875 11.743 1.00 0.00 C ATOM 426 CG GLN A 475 0.882 5.301 10.859 1.00 0.00 C ATOM 427 CD GLN A 475 1.134 6.795 10.907 1.00 0.00 C ATOM 428 OE1 GLN A 475 0.673 7.542 10.044 1.00 0.00 O ATOM 429 NE2 GLN A 475 1.870 7.240 11.919 1.00 0.00 N ATOM 0 H GLN A 475 -2.341 3.913 12.720 1.00 0.00 H new ATOM 0 HA GLN A 475 -0.856 3.175 10.562 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.153 5.478 11.496 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.029 5.086 12.783 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.784 4.774 11.171 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.679 5.003 9.830 1.00 0.00 H new ATOM 0 HE21 GLN A 475 2.232 6.586 12.612 1.00 0.00 H new ATOM 0 HE22 GLN A 475 2.073 8.236 12.003 1.00 0.00 H new ATOM 438 N ARG A 476 0.969 2.724 13.294 1.00 0.00 N ATOM 439 CA ARG A 476 2.086 1.963 13.840 1.00 0.00 C ATOM 440 C ARG A 476 1.992 0.494 13.436 1.00 0.00 C ATOM 441 O ARG A 476 2.987 -0.116 13.047 1.00 0.00 O ATOM 442 CB ARG A 476 2.115 2.082 15.365 1.00 0.00 C ATOM 443 CG ARG A 476 2.797 3.345 15.864 1.00 0.00 C ATOM 444 CD ARG A 476 3.307 3.178 17.287 1.00 0.00 C ATOM 445 NE ARG A 476 3.324 4.444 18.015 1.00 0.00 N ATOM 446 CZ ARG A 476 3.344 4.529 19.340 1.00 0.00 C ATOM 447 NH1 ARG A 476 3.351 3.428 20.079 1.00 0.00 N ATOM 448 NH2 ARG A 476 3.359 5.718 19.929 1.00 0.00 N ATOM 0 H ARG A 476 0.565 3.402 13.940 1.00 0.00 H new ATOM 0 HA ARG A 476 3.008 2.376 13.432 1.00 0.00 H new ATOM 0 HB2 ARG A 476 1.093 2.058 15.742 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.628 1.214 15.779 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.629 3.595 15.205 1.00 0.00 H new ATOM 0 HG3 ARG A 476 2.096 4.179 15.823 1.00 0.00 H new ATOM 0 HD2 ARG A 476 2.676 2.464 17.817 1.00 0.00 H new ATOM 0 HD3 ARG A 476 4.313 2.759 17.265 1.00 0.00 H new ATOM 0 HE ARG A 476 3.320 5.310 17.476 1.00 0.00 H new ATOM 0 HH11 ARG A 476 3.341 2.512 19.630 1.00 0.00 H new ATOM 0 HH12 ARG A 476 3.366 3.497 21.097 1.00 0.00 H new ATOM 0 HH21 ARG A 476 3.355 6.567 19.364 1.00 0.00 H new ATOM 0 HH22 ARG A 476 3.374 5.783 20.947 1.00 0.00 H new ATOM 462 N GLU A 477 0.790 -0.065 13.531 1.00 0.00 N ATOM 463 CA GLU A 477 0.567 -1.462 13.176 1.00 0.00 C ATOM 464 C GLU A 477 1.040 -1.743 11.753 1.00 0.00 C ATOM 465 O GLU A 477 1.902 -2.595 11.531 1.00 0.00 O ATOM 466 CB GLU A 477 -0.915 -1.816 13.312 1.00 0.00 C ATOM 467 CG GLU A 477 -1.196 -3.306 13.215 1.00 0.00 C ATOM 468 CD GLU A 477 -1.267 -3.795 11.782 1.00 0.00 C ATOM 469 OE1 GLU A 477 -2.121 -3.290 11.024 1.00 0.00 O ATOM 470 OE2 GLU A 477 -0.466 -4.682 11.418 1.00 0.00 O ATOM 0 H GLU A 477 -0.044 0.428 13.851 1.00 0.00 H new ATOM 0 HA GLU A 477 1.145 -2.081 13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.282 -1.447 14.270 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.477 -1.298 12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -0.416 -3.854 13.744 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -2.138 -3.528 13.717 1.00 0.00 H new ATOM 477 N ILE A 478 0.471 -1.023 10.793 1.00 0.00 N ATOM 478 CA ILE A 478 0.834 -1.195 9.391 1.00 0.00 C ATOM 479 C ILE A 478 2.329 -0.983 9.181 1.00 0.00 C ATOM 480 O ILE A 478 2.981 -1.749 8.471 1.00 0.00 O ATOM 481 CB ILE A 478 0.057 -0.222 8.485 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.450 -0.411 8.671 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.446 -0.430 7.029 1.00 0.00 C ATOM 484 CD1 ILE A 478 -1.955 -1.754 8.192 1.00 0.00 C ATOM 0 H ILE A 478 -0.244 -0.315 10.960 1.00 0.00 H new ATOM 0 HA ILE A 478 0.573 -2.218 9.120 1.00 0.00 H new ATOM 0 HB ILE A 478 0.314 0.799 8.768 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.695 -0.296 9.727 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -1.976 0.378 8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.111 0.265 6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.514 -0.251 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.214 -1.453 6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.031 -1.817 8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.742 -1.865 7.129 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.457 -2.549 8.747 1.00 0.00 H new ATOM 496 N ARG A 479 2.867 0.060 9.805 1.00 0.00 N ATOM 497 CA ARG A 479 4.286 0.372 9.687 1.00 0.00 C ATOM 498 C ARG A 479 5.138 -0.870 9.932 1.00 0.00 C ATOM 499 O ARG A 479 5.751 -1.405 9.009 1.00 0.00 O ATOM 500 CB ARG A 479 4.672 1.472 10.678 1.00 0.00 C ATOM 501 CG ARG A 479 4.596 2.873 10.093 1.00 0.00 C ATOM 502 CD ARG A 479 4.313 3.911 11.168 1.00 0.00 C ATOM 503 NE ARG A 479 5.534 4.354 11.836 1.00 0.00 N ATOM 504 CZ ARG A 479 6.455 5.115 11.255 1.00 0.00 C ATOM 505 NH1 ARG A 479 6.294 5.516 10.002 1.00 0.00 N ATOM 506 NH2 ARG A 479 7.539 5.477 11.929 1.00 0.00 N ATOM 0 H ARG A 479 2.342 0.703 10.397 1.00 0.00 H new ATOM 0 HA ARG A 479 4.472 0.725 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 479 4.015 1.414 11.546 1.00 0.00 H new ATOM 0 HB3 ARG A 479 5.686 1.290 11.033 1.00 0.00 H new ATOM 0 HG2 ARG A 479 5.535 3.111 9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 479 3.814 2.910 9.335 1.00 0.00 H new ATOM 0 HD2 ARG A 479 3.813 4.770 10.720 1.00 0.00 H new ATOM 0 HD3 ARG A 479 3.628 3.492 11.905 1.00 0.00 H new ATOM 0 HE ARG A 479 5.688 4.063 12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 479 5.461 5.240 9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 479 7.003 6.100 9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 479 7.666 5.171 12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 479 8.246 6.061 11.482 1.00 0.00 H new ATOM 520 N GLU A 480 5.172 -1.321 11.182 1.00 0.00 N ATOM 521 CA GLU A 480 5.951 -2.499 11.547 1.00 0.00 C ATOM 522 C GLU A 480 5.516 -3.713 10.731 1.00 0.00 C ATOM 523 O GLU A 480 6.338 -4.550 10.356 1.00 0.00 O ATOM 524 CB GLU A 480 5.800 -2.794 13.041 1.00 0.00 C ATOM 525 CG GLU A 480 4.368 -3.077 13.464 1.00 0.00 C ATOM 526 CD GLU A 480 4.201 -3.113 14.971 1.00 0.00 C ATOM 527 OE1 GLU A 480 3.961 -2.043 15.568 1.00 0.00 O ATOM 528 OE2 GLU A 480 4.311 -4.213 15.553 1.00 0.00 O ATOM 0 H GLU A 480 4.670 -0.889 11.958 1.00 0.00 H new ATOM 0 HA GLU A 480 6.999 -2.293 11.329 1.00 0.00 H new ATOM 0 HB2 GLU A 480 6.422 -3.651 13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 480 6.177 -1.944 13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 480 3.712 -2.312 13.048 1.00 0.00 H new ATOM 0 HG3 GLU A 480 4.051 -4.032 13.044 1.00 0.00 H new ATOM 535 N LEU A 481 4.218 -3.802 10.460 1.00 0.00 N ATOM 536 CA LEU A 481 3.673 -4.914 9.689 1.00 0.00 C ATOM 537 C LEU A 481 4.505 -5.168 8.437 1.00 0.00 C ATOM 538 O LEU A 481 4.978 -6.282 8.209 1.00 0.00 O ATOM 539 CB LEU A 481 2.221 -4.627 9.301 1.00 0.00 C ATOM 540 CG LEU A 481 1.453 -5.789 8.670 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.089 -6.823 9.724 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.203 -5.281 7.965 1.00 0.00 C ATOM 0 H LEU A 481 3.524 -3.118 10.762 1.00 0.00 H new ATOM 0 HA LEU A 481 3.707 -5.808 10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.684 -4.305 10.193 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.211 -3.790 8.603 1.00 0.00 H new ATOM 0 HG LEU A 481 2.096 -6.265 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.543 -7.642 9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 481 1.998 -7.209 10.184 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.464 -6.360 10.488 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.331 -6.121 7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.443 -4.780 8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.487 -4.578 7.182 1.00 0.00 H new ATOM 554 N PHE A 482 4.682 -4.128 7.629 1.00 0.00 N ATOM 555 CA PHE A 482 5.459 -4.239 6.400 1.00 0.00 C ATOM 556 C PHE A 482 6.944 -4.017 6.673 1.00 0.00 C ATOM 557 O PHE A 482 7.789 -4.805 6.248 1.00 0.00 O ATOM 558 CB PHE A 482 4.962 -3.227 5.365 1.00 0.00 C ATOM 559 CG PHE A 482 3.688 -3.641 4.686 1.00 0.00 C ATOM 560 CD1 PHE A 482 3.717 -4.466 3.573 1.00 0.00 C ATOM 561 CD2 PHE A 482 2.462 -3.205 5.160 1.00 0.00 C ATOM 562 CE1 PHE A 482 2.546 -4.847 2.946 1.00 0.00 C ATOM 563 CE2 PHE A 482 1.287 -3.583 4.537 1.00 0.00 C ATOM 564 CZ PHE A 482 1.330 -4.406 3.429 1.00 0.00 C ATOM 0 H PHE A 482 4.298 -3.199 7.803 1.00 0.00 H new ATOM 0 HA PHE A 482 5.327 -5.247 6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.808 -2.265 5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.735 -3.081 4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 482 4.665 -4.815 3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 482 2.423 -2.562 6.027 1.00 0.00 H new ATOM 0 HE1 PHE A 482 2.582 -5.489 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 482 0.337 -3.235 4.916 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.414 -4.704 2.941 1.00 0.00 H new ATOM 574 N SER A 483 7.253 -2.938 7.385 1.00 0.00 N ATOM 575 CA SER A 483 8.636 -2.609 7.712 1.00 0.00 C ATOM 576 C SER A 483 9.444 -3.873 7.991 1.00 0.00 C ATOM 577 O SER A 483 10.601 -3.988 7.584 1.00 0.00 O ATOM 578 CB SER A 483 8.688 -1.679 8.926 1.00 0.00 C ATOM 579 OG SER A 483 10.024 -1.333 9.247 1.00 0.00 O ATOM 0 H SER A 483 6.565 -2.277 7.746 1.00 0.00 H new ATOM 0 HA SER A 483 9.075 -2.100 6.854 1.00 0.00 H new ATOM 0 HB2 SER A 483 8.114 -0.775 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.220 -2.166 9.781 1.00 0.00 H new ATOM 0 HG SER A 483 10.030 -0.737 10.025 1.00 0.00 H new ATOM 585 N THR A 484 8.826 -4.821 8.689 1.00 0.00 N ATOM 586 CA THR A 484 9.486 -6.076 9.024 1.00 0.00 C ATOM 587 C THR A 484 10.213 -6.655 7.815 1.00 0.00 C ATOM 588 O THR A 484 11.378 -7.042 7.906 1.00 0.00 O ATOM 589 CB THR A 484 8.480 -7.117 9.551 1.00 0.00 C ATOM 590 OG1 THR A 484 9.152 -8.351 9.829 1.00 0.00 O ATOM 591 CG2 THR A 484 7.368 -7.355 8.540 1.00 0.00 C ATOM 0 H THR A 484 7.869 -4.743 9.033 1.00 0.00 H new ATOM 0 HA THR A 484 10.210 -5.853 9.807 1.00 0.00 H new ATOM 0 HB THR A 484 8.038 -6.730 10.469 1.00 0.00 H new ATOM 0 HG1 THR A 484 8.506 -9.007 10.165 1.00 0.00 H new ATOM 0 HG21 THR A 484 6.670 -8.094 8.934 1.00 0.00 H new ATOM 0 HG22 THR A 484 6.840 -6.420 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 484 7.797 -7.722 7.607 1.00 0.00 H new ATOM 599 N PHE A 485 9.518 -6.712 6.684 1.00 0.00 N ATOM 600 CA PHE A 485 10.097 -7.244 5.457 1.00 0.00 C ATOM 601 C PHE A 485 11.252 -6.370 4.977 1.00 0.00 C ATOM 602 O PHE A 485 12.298 -6.873 4.568 1.00 0.00 O ATOM 603 CB PHE A 485 9.030 -7.343 4.365 1.00 0.00 C ATOM 604 CG PHE A 485 8.163 -8.564 4.483 1.00 0.00 C ATOM 605 CD1 PHE A 485 7.110 -8.597 5.383 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.400 -9.678 3.694 1.00 0.00 C ATOM 607 CE1 PHE A 485 6.311 -9.719 5.495 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.604 -10.803 3.801 1.00 0.00 C ATOM 609 CZ PHE A 485 6.557 -10.823 4.702 1.00 0.00 C ATOM 0 H PHE A 485 8.553 -6.396 6.592 1.00 0.00 H new ATOM 0 HA PHE A 485 10.483 -8.241 5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.400 -6.455 4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.518 -7.347 3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.911 -7.736 6.004 1.00 0.00 H new ATOM 0 HD2 PHE A 485 9.216 -9.667 2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.495 -9.733 6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.800 -11.665 3.181 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.932 -11.700 4.786 1.00 0.00 H new ATOM 619 N GLY A 486 11.054 -5.056 5.029 1.00 0.00 N ATOM 620 CA GLY A 486 12.086 -4.132 4.597 1.00 0.00 C ATOM 621 C GLY A 486 11.740 -2.690 4.907 1.00 0.00 C ATOM 622 O GLY A 486 10.628 -2.392 5.341 1.00 0.00 O ATOM 0 H GLY A 486 10.197 -4.615 5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 486 13.027 -4.389 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.242 -4.242 3.524 1.00 0.00 H new ATOM 626 N GLU A 487 12.696 -1.793 4.686 1.00 0.00 N ATOM 627 CA GLU A 487 12.486 -0.374 4.948 1.00 0.00 C ATOM 628 C GLU A 487 11.327 0.168 4.117 1.00 0.00 C ATOM 629 O GLU A 487 11.168 -0.186 2.947 1.00 0.00 O ATOM 630 CB GLU A 487 13.760 0.418 4.643 1.00 0.00 C ATOM 631 CG GLU A 487 13.655 1.895 4.984 1.00 0.00 C ATOM 632 CD GLU A 487 14.984 2.616 4.871 1.00 0.00 C ATOM 633 OE1 GLU A 487 15.866 2.120 4.139 1.00 0.00 O ATOM 634 OE2 GLU A 487 15.142 3.674 5.515 1.00 0.00 O ATOM 0 H GLU A 487 13.622 -2.023 4.327 1.00 0.00 H new ATOM 0 HA GLU A 487 12.239 -0.259 6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.590 -0.017 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 487 13.998 0.314 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 487 12.932 2.367 4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.272 2.003 5.999 1.00 0.00 H new ATOM 641 N LEU A 488 10.518 1.026 4.728 1.00 0.00 N ATOM 642 CA LEU A 488 9.372 1.617 4.046 1.00 0.00 C ATOM 643 C LEU A 488 9.628 3.086 3.723 1.00 0.00 C ATOM 644 O LEU A 488 10.389 3.762 4.417 1.00 0.00 O ATOM 645 CB LEU A 488 8.116 1.483 4.908 1.00 0.00 C ATOM 646 CG LEU A 488 7.735 0.062 5.323 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.608 0.088 6.344 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.336 -0.760 4.107 1.00 0.00 C ATOM 0 H LEU A 488 10.634 1.328 5.695 1.00 0.00 H new ATOM 0 HA LEU A 488 9.221 1.080 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.254 2.079 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.278 1.918 4.364 1.00 0.00 H new ATOM 0 HG LEU A 488 8.605 -0.407 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.350 -0.932 6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 488 6.930 0.640 7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.735 0.575 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 488 7.068 -1.769 4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.481 -0.294 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.172 -0.808 3.410 1.00 0.00 H new ATOM 660 N LYS A 489 8.986 3.575 2.668 1.00 0.00 N ATOM 661 CA LYS A 489 9.140 4.965 2.255 1.00 0.00 C ATOM 662 C LYS A 489 8.242 5.881 3.081 1.00 0.00 C ATOM 663 O LYS A 489 8.680 6.926 3.564 1.00 0.00 O ATOM 664 CB LYS A 489 8.810 5.116 0.768 1.00 0.00 C ATOM 665 CG LYS A 489 9.998 4.869 -0.146 1.00 0.00 C ATOM 666 CD LYS A 489 9.695 5.280 -1.577 1.00 0.00 C ATOM 667 CE LYS A 489 10.968 5.592 -2.349 1.00 0.00 C ATOM 668 NZ LYS A 489 11.433 6.987 -2.111 1.00 0.00 N ATOM 0 H LYS A 489 8.354 3.029 2.083 1.00 0.00 H new ATOM 0 HA LYS A 489 10.177 5.255 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.012 4.420 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.427 6.121 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 489 10.861 5.426 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 489 10.266 3.813 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 489 9.151 4.480 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 489 9.045 6.155 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 489 11.751 4.893 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 489 10.792 5.445 -3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 12.303 7.161 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 10.696 7.655 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 11.626 7.121 -1.098 1.00 0.00 H new ATOM 682 N THR A 490 6.984 5.482 3.241 1.00 0.00 N ATOM 683 CA THR A 490 6.026 6.267 4.009 1.00 0.00 C ATOM 684 C THR A 490 4.697 5.531 4.145 1.00 0.00 C ATOM 685 O THR A 490 4.194 4.954 3.182 1.00 0.00 O ATOM 686 CB THR A 490 5.775 7.640 3.359 1.00 0.00 C ATOM 687 OG1 THR A 490 5.008 8.467 4.242 1.00 0.00 O ATOM 688 CG2 THR A 490 5.042 7.487 2.035 1.00 0.00 C ATOM 0 H THR A 490 6.605 4.620 2.849 1.00 0.00 H new ATOM 0 HA THR A 490 6.460 6.416 4.998 1.00 0.00 H new ATOM 0 HB THR A 490 6.740 8.109 3.169 1.00 0.00 H new ATOM 0 HG1 THR A 490 4.854 9.339 3.822 1.00 0.00 H new ATOM 0 HG21 THR A 490 4.876 8.470 1.595 1.00 0.00 H new ATOM 0 HG22 THR A 490 5.642 6.882 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.082 6.999 2.205 1.00 0.00 H new ATOM 696 N VAL A 491 4.132 5.557 5.348 1.00 0.00 N ATOM 697 CA VAL A 491 2.860 4.895 5.610 1.00 0.00 C ATOM 698 C VAL A 491 1.729 5.908 5.737 1.00 0.00 C ATOM 699 O VAL A 491 1.685 6.689 6.688 1.00 0.00 O ATOM 700 CB VAL A 491 2.923 4.047 6.895 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.548 3.492 7.236 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.938 2.924 6.743 1.00 0.00 C ATOM 0 H VAL A 491 4.536 6.030 6.157 1.00 0.00 H new ATOM 0 HA VAL A 491 2.663 4.240 4.761 1.00 0.00 H new ATOM 0 HB VAL A 491 3.244 4.687 7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.612 2.896 8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.851 4.316 7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.195 2.866 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.969 2.335 7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.649 2.283 5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.924 3.348 6.550 1.00 0.00 H new ATOM 712 N ARG A 492 0.814 5.889 4.773 1.00 0.00 N ATOM 713 CA ARG A 492 -0.319 6.807 4.777 1.00 0.00 C ATOM 714 C ARG A 492 -1.592 6.098 5.228 1.00 0.00 C ATOM 715 O ARG A 492 -2.024 5.123 4.612 1.00 0.00 O ATOM 716 CB ARG A 492 -0.522 7.406 3.384 1.00 0.00 C ATOM 717 CG ARG A 492 0.494 8.479 3.028 1.00 0.00 C ATOM 718 CD ARG A 492 -0.008 9.370 1.902 1.00 0.00 C ATOM 719 NE ARG A 492 -1.306 9.963 2.211 1.00 0.00 N ATOM 720 CZ ARG A 492 -2.123 10.464 1.291 1.00 0.00 C ATOM 721 NH1 ARG A 492 -1.778 10.442 0.011 1.00 0.00 N ATOM 722 NH2 ARG A 492 -3.288 10.988 1.650 1.00 0.00 N ATOM 0 H ARG A 492 0.835 5.248 3.980 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.102 7.609 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.469 6.608 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.524 7.832 3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 492 0.706 9.087 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.432 8.009 2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.717 10.162 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 492 -0.085 8.786 0.985 1.00 0.00 H new ATOM 0 HE ARG A 492 -1.602 9.994 3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 492 -0.884 10.040 -0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 492 -2.407 10.827 -0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 492 -3.557 11.007 2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 492 -3.914 11.372 0.942 1.00 0.00 H new ATOM 736 N LEU A 493 -2.188 6.593 6.307 1.00 0.00 N ATOM 737 CA LEU A 493 -3.412 6.007 6.842 1.00 0.00 C ATOM 738 C LEU A 493 -4.471 7.079 7.078 1.00 0.00 C ATOM 739 O LEU A 493 -4.172 8.206 7.472 1.00 0.00 O ATOM 740 CB LEU A 493 -3.118 5.267 8.148 1.00 0.00 C ATOM 741 CG LEU A 493 -2.706 3.801 8.011 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.212 3.689 7.748 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.088 3.020 9.260 1.00 0.00 C ATOM 0 H LEU A 493 -1.843 7.399 6.829 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.797 5.298 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.325 5.799 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.006 5.317 8.778 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.238 3.372 7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.937 2.639 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.965 4.213 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.662 4.135 8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.787 1.979 9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.584 3.449 10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.167 3.072 9.406 1.00 0.00 H new ATOM 755 N PRO A 494 -5.741 6.720 6.836 1.00 0.00 N ATOM 756 CA PRO A 494 -6.871 7.636 7.018 1.00 0.00 C ATOM 757 C PRO A 494 -7.136 7.944 8.488 1.00 0.00 C ATOM 758 O PRO A 494 -7.439 7.049 9.276 1.00 0.00 O ATOM 759 CB PRO A 494 -8.049 6.871 6.411 1.00 0.00 C ATOM 760 CG PRO A 494 -7.666 5.436 6.521 1.00 0.00 C ATOM 761 CD PRO A 494 -6.171 5.393 6.365 1.00 0.00 C ATOM 0 HA PRO A 494 -6.690 8.605 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 494 -8.974 7.076 6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 494 -8.215 7.158 5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 494 -7.970 5.024 7.483 1.00 0.00 H new ATOM 0 HG3 PRO A 494 -8.156 4.841 5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 494 -5.728 4.593 6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 494 -5.880 5.220 5.329 1.00 0.00 H new ATOM 769 N LYS A 495 -7.020 9.217 8.851 1.00 0.00 N ATOM 770 CA LYS A 495 -7.248 9.645 10.226 1.00 0.00 C ATOM 771 C LYS A 495 -8.427 10.610 10.306 1.00 0.00 C ATOM 772 O LYS A 495 -8.315 11.777 9.928 1.00 0.00 O ATOM 773 CB LYS A 495 -5.991 10.311 10.790 1.00 0.00 C ATOM 774 CG LYS A 495 -5.971 10.383 12.307 1.00 0.00 C ATOM 775 CD LYS A 495 -7.028 11.339 12.834 1.00 0.00 C ATOM 776 CE LYS A 495 -6.666 11.864 14.215 1.00 0.00 C ATOM 777 NZ LYS A 495 -6.952 10.865 15.281 1.00 0.00 N ATOM 0 H LYS A 495 -6.769 9.971 8.211 1.00 0.00 H new ATOM 0 HA LYS A 495 -7.482 8.762 10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 495 -5.114 9.761 10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 495 -5.912 11.320 10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 495 -6.139 9.389 12.722 1.00 0.00 H new ATOM 0 HG3 LYS A 495 -4.986 10.707 12.644 1.00 0.00 H new ATOM 0 HD2 LYS A 495 -7.141 12.175 12.144 1.00 0.00 H new ATOM 0 HD3 LYS A 495 -7.991 10.830 12.878 1.00 0.00 H new ATOM 0 HE2 LYS A 495 -5.608 12.127 14.238 1.00 0.00 H new ATOM 0 HE3 LYS A 495 -7.226 12.778 14.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 495 -6.692 11.261 16.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 495 -7.966 10.633 15.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 495 -6.399 10.002 15.106 1.00 0.00 H new ATOM 791 N LYS A 496 -9.557 10.117 10.803 1.00 0.00 N ATOM 792 CA LYS A 496 -10.756 10.936 10.936 1.00 0.00 C ATOM 793 C LYS A 496 -10.753 11.692 12.261 1.00 0.00 C ATOM 794 O LYS A 496 -10.265 11.190 13.272 1.00 0.00 O ATOM 795 CB LYS A 496 -12.008 10.062 10.838 1.00 0.00 C ATOM 796 CG LYS A 496 -12.216 9.449 9.464 1.00 0.00 C ATOM 797 CD LYS A 496 -12.902 10.420 8.518 1.00 0.00 C ATOM 798 CE LYS A 496 -12.996 9.853 7.109 1.00 0.00 C ATOM 799 NZ LYS A 496 -13.389 10.893 6.118 1.00 0.00 N ATOM 0 H LYS A 496 -9.667 9.154 11.120 1.00 0.00 H new ATOM 0 HA LYS A 496 -10.763 11.662 10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 496 -11.942 9.263 11.577 1.00 0.00 H new ATOM 0 HB3 LYS A 496 -12.881 10.662 11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 496 -11.253 9.153 9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 496 -12.816 8.544 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 496 -13.902 10.645 8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 496 -12.351 11.360 8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 496 -12.035 9.425 6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 496 -13.724 9.042 7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 496 -13.442 10.467 5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 496 -14.318 11.284 6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 496 -12.682 11.655 6.116 1.00 0.00 H new ATOM 813 N MET A 497 -11.304 12.902 12.247 1.00 0.00 N ATOM 814 CA MET A 497 -11.367 13.726 13.449 1.00 0.00 C ATOM 815 C MET A 497 -12.774 13.720 14.038 1.00 0.00 C ATOM 816 O MET A 497 -12.982 13.283 15.171 1.00 0.00 O ATOM 817 CB MET A 497 -10.940 15.161 13.132 1.00 0.00 C ATOM 818 CG MET A 497 -9.458 15.300 12.823 1.00 0.00 C ATOM 819 SD MET A 497 -8.424 15.125 14.290 1.00 0.00 S ATOM 820 CE MET A 497 -7.663 16.745 14.363 1.00 0.00 C ATOM 0 H MET A 497 -11.713 13.333 11.418 1.00 0.00 H new ATOM 0 HA MET A 497 -10.682 13.305 14.185 1.00 0.00 H new ATOM 0 HB2 MET A 497 -11.516 15.523 12.280 1.00 0.00 H new ATOM 0 HB3 MET A 497 -11.188 15.801 13.979 1.00 0.00 H new ATOM 0 HG2 MET A 497 -9.171 14.547 12.089 1.00 0.00 H new ATOM 0 HG3 MET A 497 -9.275 16.274 12.368 1.00 0.00 H new ATOM 0 HE1 MET A 497 -6.992 16.794 15.221 1.00 0.00 H new ATOM 0 HE2 MET A 497 -7.096 16.922 13.449 1.00 0.00 H new ATOM 0 HE3 MET A 497 -8.437 17.506 14.464 1.00 0.00 H new ATOM 830 N THR A 498 -13.738 14.208 13.264 1.00 0.00 N ATOM 831 CA THR A 498 -15.124 14.260 13.710 1.00 0.00 C ATOM 832 C THR A 498 -15.706 12.860 13.861 1.00 0.00 C ATOM 833 O THR A 498 -15.399 11.961 13.079 1.00 0.00 O ATOM 834 CB THR A 498 -16.000 15.064 12.730 1.00 0.00 C ATOM 835 OG1 THR A 498 -15.822 14.572 11.397 1.00 0.00 O ATOM 836 CG2 THR A 498 -15.650 16.544 12.781 1.00 0.00 C ATOM 0 H THR A 498 -13.584 14.573 12.324 1.00 0.00 H new ATOM 0 HA THR A 498 -15.125 14.758 14.680 1.00 0.00 H new ATOM 0 HB THR A 498 -17.042 14.943 13.025 1.00 0.00 H new ATOM 0 HG1 THR A 498 -16.383 15.087 10.781 1.00 0.00 H new ATOM 0 HG21 THR A 498 -16.281 17.091 12.081 1.00 0.00 H new ATOM 0 HG22 THR A 498 -15.814 16.922 13.790 1.00 0.00 H new ATOM 0 HG23 THR A 498 -14.603 16.680 12.509 1.00 0.00 H new ATOM 844 N GLY A 499 -16.549 12.680 14.874 1.00 0.00 N ATOM 845 CA GLY A 499 -17.162 11.386 15.109 1.00 0.00 C ATOM 846 C GLY A 499 -16.448 10.594 16.186 1.00 0.00 C ATOM 847 O GLY A 499 -15.793 11.167 17.058 1.00 0.00 O ATOM 0 H GLY A 499 -16.818 13.408 15.536 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -18.204 11.528 15.397 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -17.163 10.814 14.181 1.00 0.00 H new ATOM 851 N THR A 500 -16.574 9.272 16.129 1.00 0.00 N ATOM 852 CA THR A 500 -15.938 8.400 17.109 1.00 0.00 C ATOM 853 C THR A 500 -15.136 7.299 16.426 1.00 0.00 C ATOM 854 O THR A 500 -15.563 6.146 16.375 1.00 0.00 O ATOM 855 CB THR A 500 -16.978 7.756 18.046 1.00 0.00 C ATOM 856 OG1 THR A 500 -17.767 8.773 18.674 1.00 0.00 O ATOM 857 CG2 THR A 500 -16.296 6.908 19.109 1.00 0.00 C ATOM 0 H THR A 500 -17.111 8.781 15.414 1.00 0.00 H new ATOM 0 HA THR A 500 -15.266 9.024 17.698 1.00 0.00 H new ATOM 0 HB THR A 500 -17.624 7.112 17.449 1.00 0.00 H new ATOM 0 HG1 THR A 500 -18.427 8.356 19.267 1.00 0.00 H new ATOM 0 HG21 THR A 500 -17.050 6.464 19.759 1.00 0.00 H new ATOM 0 HG22 THR A 500 -15.719 6.118 18.629 1.00 0.00 H new ATOM 0 HG23 THR A 500 -15.630 7.535 19.702 1.00 0.00 H new ATOM 865 N GLY A 501 -13.968 7.661 15.902 1.00 0.00 N ATOM 866 CA GLY A 501 -13.124 6.691 15.230 1.00 0.00 C ATOM 867 C GLY A 501 -13.779 6.111 13.992 1.00 0.00 C ATOM 868 O GLY A 501 -14.396 5.048 14.049 1.00 0.00 O ATOM 0 H GLY A 501 -13.592 8.609 15.931 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -12.183 7.165 14.951 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -12.882 5.884 15.921 1.00 0.00 H new ATOM 872 N ALA A 502 -13.646 6.812 12.871 1.00 0.00 N ATOM 873 CA ALA A 502 -14.230 6.360 11.614 1.00 0.00 C ATOM 874 C ALA A 502 -13.146 5.995 10.605 1.00 0.00 C ATOM 875 O ALA A 502 -13.259 6.304 9.418 1.00 0.00 O ATOM 876 CB ALA A 502 -15.146 7.432 11.042 1.00 0.00 C ATOM 0 H ALA A 502 -13.139 7.695 12.807 1.00 0.00 H new ATOM 0 HA ALA A 502 -14.818 5.465 11.816 1.00 0.00 H new ATOM 0 HB1 ALA A 502 -15.575 7.081 10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 502 -15.947 7.642 11.751 1.00 0.00 H new ATOM 0 HB3 ALA A 502 -14.573 8.342 10.861 1.00 0.00 H new ATOM 882 N HIS A 503 -12.096 5.337 11.084 1.00 0.00 N ATOM 883 CA HIS A 503 -10.991 4.929 10.223 1.00 0.00 C ATOM 884 C HIS A 503 -11.424 3.817 9.273 1.00 0.00 C ATOM 885 O HIS A 503 -11.721 2.702 9.702 1.00 0.00 O ATOM 886 CB HIS A 503 -9.805 4.462 11.067 1.00 0.00 C ATOM 887 CG HIS A 503 -8.915 3.486 10.361 1.00 0.00 C ATOM 888 ND1 HIS A 503 -9.225 2.149 10.221 1.00 0.00 N ATOM 889 CD2 HIS A 503 -7.719 3.658 9.751 1.00 0.00 C ATOM 890 CE1 HIS A 503 -8.258 1.542 9.557 1.00 0.00 C ATOM 891 NE2 HIS A 503 -7.332 2.436 9.260 1.00 0.00 N ATOM 0 H HIS A 503 -11.986 5.075 12.064 1.00 0.00 H new ATOM 0 HA HIS A 503 -10.688 5.792 9.630 1.00 0.00 H new ATOM 0 HB2 HIS A 503 -9.216 5.330 11.363 1.00 0.00 H new ATOM 0 HB3 HIS A 503 -10.179 4.004 11.982 1.00 0.00 H new ATOM 0 HD1 HIS A 503 -10.069 1.699 10.575 1.00 0.00 H new ATOM 0 HD2 HIS A 503 -7.171 4.585 9.666 1.00 0.00 H new ATOM 0 HE1 HIS A 503 -8.229 0.493 9.301 1.00 0.00 H new ATOM 899 N ARG A 504 -11.459 4.129 7.982 1.00 0.00 N ATOM 900 CA ARG A 504 -11.858 3.157 6.971 1.00 0.00 C ATOM 901 C ARG A 504 -10.852 2.013 6.890 1.00 0.00 C ATOM 902 O ARG A 504 -9.744 2.109 7.416 1.00 0.00 O ATOM 903 CB ARG A 504 -11.988 3.833 5.605 1.00 0.00 C ATOM 904 CG ARG A 504 -12.979 3.147 4.678 1.00 0.00 C ATOM 905 CD ARG A 504 -13.405 4.064 3.542 1.00 0.00 C ATOM 906 NE ARG A 504 -14.737 3.734 3.043 1.00 0.00 N ATOM 907 CZ ARG A 504 -15.002 2.659 2.310 1.00 0.00 C ATOM 908 NH1 ARG A 504 -14.031 1.814 1.992 1.00 0.00 N ATOM 909 NH2 ARG A 504 -16.240 2.427 1.893 1.00 0.00 N ATOM 0 H ARG A 504 -11.216 5.048 7.611 1.00 0.00 H new ATOM 0 HA ARG A 504 -12.826 2.748 7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -12.295 4.869 5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.010 3.855 5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -12.530 2.243 4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -13.856 2.838 5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -13.393 5.098 3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -12.684 3.991 2.727 1.00 0.00 H new ATOM 0 HE ARG A 504 -15.506 4.364 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -13.078 1.989 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -14.237 0.989 1.429 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -16.990 3.075 2.135 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -16.442 1.601 1.330 1.00 0.00 H new ATOM 923 N GLY A 505 -11.246 0.929 6.228 1.00 0.00 N ATOM 924 CA GLY A 505 -10.368 -0.218 6.091 1.00 0.00 C ATOM 925 C GLY A 505 -9.480 -0.125 4.866 1.00 0.00 C ATOM 926 O GLY A 505 -9.540 -0.979 3.981 1.00 0.00 O ATOM 0 H GLY A 505 -12.158 0.825 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.745 -0.304 6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -10.968 -1.126 6.033 1.00 0.00 H new ATOM 930 N PHE A 506 -8.655 0.915 4.812 1.00 0.00 N ATOM 931 CA PHE A 506 -7.753 1.118 3.685 1.00 0.00 C ATOM 932 C PHE A 506 -6.497 1.867 4.121 1.00 0.00 C ATOM 933 O PHE A 506 -6.567 2.819 4.897 1.00 0.00 O ATOM 934 CB PHE A 506 -8.461 1.892 2.571 1.00 0.00 C ATOM 935 CG PHE A 506 -8.343 3.383 2.708 1.00 0.00 C ATOM 936 CD1 PHE A 506 -7.115 4.010 2.569 1.00 0.00 C ATOM 937 CD2 PHE A 506 -9.460 4.158 2.977 1.00 0.00 C ATOM 938 CE1 PHE A 506 -7.004 5.382 2.696 1.00 0.00 C ATOM 939 CE2 PHE A 506 -9.355 5.530 3.105 1.00 0.00 C ATOM 940 CZ PHE A 506 -8.125 6.143 2.963 1.00 0.00 C ATOM 0 H PHE A 506 -8.593 1.631 5.536 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.458 0.139 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -8.046 1.590 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.516 1.618 2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -6.235 3.420 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -10.424 3.684 3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -6.041 5.859 2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -10.233 6.122 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 506 -8.040 7.215 3.061 1.00 0.00 H new ATOM 950 N GLY A 507 -5.348 1.428 3.615 1.00 0.00 N ATOM 951 CA GLY A 507 -4.092 2.067 3.964 1.00 0.00 C ATOM 952 C GLY A 507 -3.055 1.944 2.866 1.00 0.00 C ATOM 953 O GLY A 507 -2.934 0.896 2.230 1.00 0.00 O ATOM 0 H GLY A 507 -5.265 0.642 2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.270 3.121 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.703 1.621 4.879 1.00 0.00 H new ATOM 957 N PHE A 508 -2.304 3.017 2.641 1.00 0.00 N ATOM 958 CA PHE A 508 -1.273 3.026 1.610 1.00 0.00 C ATOM 959 C PHE A 508 0.108 2.799 2.219 1.00 0.00 C ATOM 960 O PHE A 508 0.474 3.432 3.209 1.00 0.00 O ATOM 961 CB PHE A 508 -1.294 4.353 0.848 1.00 0.00 C ATOM 962 CG PHE A 508 -2.308 4.391 -0.260 1.00 0.00 C ATOM 963 CD1 PHE A 508 -3.629 4.716 0.003 1.00 0.00 C ATOM 964 CD2 PHE A 508 -1.940 4.104 -1.564 1.00 0.00 C ATOM 965 CE1 PHE A 508 -4.564 4.752 -1.014 1.00 0.00 C ATOM 966 CE2 PHE A 508 -2.870 4.138 -2.586 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.184 4.464 -2.310 1.00 0.00 C ATOM 0 H PHE A 508 -2.390 3.892 3.159 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.483 2.213 0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.502 5.162 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.304 4.539 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -3.931 4.944 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -0.914 3.851 -1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -5.591 5.005 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -2.570 3.910 -3.598 1.00 0.00 H new ATOM 0 HZ PHE A 508 -4.913 4.494 -3.107 1.00 0.00 H new ATOM 977 N VAL A 509 0.870 1.889 1.620 1.00 0.00 N ATOM 978 CA VAL A 509 2.210 1.577 2.102 1.00 0.00 C ATOM 979 C VAL A 509 3.231 1.646 0.972 1.00 0.00 C ATOM 980 O VAL A 509 3.063 1.009 -0.068 1.00 0.00 O ATOM 981 CB VAL A 509 2.265 0.178 2.745 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.679 -0.146 3.200 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.287 0.088 3.907 1.00 0.00 C ATOM 0 H VAL A 509 0.582 1.355 0.800 1.00 0.00 H new ATOM 0 HA VAL A 509 2.456 2.325 2.856 1.00 0.00 H new ATOM 0 HB VAL A 509 1.973 -0.559 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.698 -1.138 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.351 -0.125 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.004 0.592 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.339 -0.907 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.546 0.834 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.275 0.272 3.546 1.00 0.00 H new ATOM 993 N ASP A 510 4.288 2.422 1.183 1.00 0.00 N ATOM 994 CA ASP A 510 5.338 2.572 0.182 1.00 0.00 C ATOM 995 C ASP A 510 6.632 1.914 0.649 1.00 0.00 C ATOM 996 O ASP A 510 6.948 1.915 1.839 1.00 0.00 O ATOM 997 CB ASP A 510 5.582 4.053 -0.113 1.00 0.00 C ATOM 998 CG ASP A 510 4.299 4.801 -0.423 1.00 0.00 C ATOM 999 OD1 ASP A 510 3.781 4.649 -1.549 1.00 0.00 O ATOM 1000 OD2 ASP A 510 3.814 5.536 0.462 1.00 0.00 O ATOM 0 H ASP A 510 4.441 2.957 2.038 1.00 0.00 H new ATOM 0 HA ASP A 510 5.009 2.077 -0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 510 6.071 4.516 0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.266 4.145 -0.957 1.00 0.00 H new ATOM 1005 N PHE A 511 7.378 1.351 -0.296 1.00 0.00 N ATOM 1006 CA PHE A 511 8.638 0.687 0.018 1.00 0.00 C ATOM 1007 C PHE A 511 9.814 1.422 -0.619 1.00 0.00 C ATOM 1008 O PHE A 511 9.649 2.143 -1.603 1.00 0.00 O ATOM 1009 CB PHE A 511 8.608 -0.765 -0.463 1.00 0.00 C ATOM 1010 CG PHE A 511 8.048 -1.721 0.551 1.00 0.00 C ATOM 1011 CD1 PHE A 511 6.702 -1.695 0.879 1.00 0.00 C ATOM 1012 CD2 PHE A 511 8.869 -2.646 1.177 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.185 -2.574 1.812 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.357 -3.527 2.111 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.014 -3.492 2.428 1.00 0.00 C ATOM 0 H PHE A 511 7.132 1.341 -1.286 1.00 0.00 H new ATOM 0 HA PHE A 511 8.767 0.701 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.013 -0.825 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.621 -1.075 -0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.050 -0.980 0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 511 9.920 -2.679 0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.134 -2.543 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.007 -4.242 2.592 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.612 -4.181 3.156 1.00 0.00 H new ATOM 1025 N ILE A 512 11.000 1.233 -0.050 1.00 0.00 N ATOM 1026 CA ILE A 512 12.203 1.877 -0.562 1.00 0.00 C ATOM 1027 C ILE A 512 12.553 1.360 -1.953 1.00 0.00 C ATOM 1028 O ILE A 512 12.839 2.139 -2.864 1.00 0.00 O ATOM 1029 CB ILE A 512 13.405 1.650 0.375 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.124 2.249 1.754 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.665 2.255 -0.225 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.684 3.696 1.706 1.00 0.00 C ATOM 0 H ILE A 512 11.153 0.639 0.765 1.00 0.00 H new ATOM 0 HA ILE A 512 11.991 2.945 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 512 13.560 0.577 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.351 1.659 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 512 14.023 2.171 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.506 2.087 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 512 14.871 1.786 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.522 3.326 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.502 4.055 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.465 4.299 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.767 3.778 1.122 1.00 0.00 H new ATOM 1044 N THR A 513 12.527 0.040 -2.113 1.00 0.00 N ATOM 1045 CA THR A 513 12.840 -0.581 -3.393 1.00 0.00 C ATOM 1046 C THR A 513 11.740 -1.546 -3.820 1.00 0.00 C ATOM 1047 O THR A 513 11.102 -2.186 -2.983 1.00 0.00 O ATOM 1048 CB THR A 513 14.180 -1.340 -3.337 1.00 0.00 C ATOM 1049 OG1 THR A 513 14.201 -2.212 -2.201 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.349 -0.369 -3.259 1.00 0.00 C ATOM 0 H THR A 513 12.292 -0.619 -1.371 1.00 0.00 H new ATOM 0 HA THR A 513 12.917 0.224 -4.124 1.00 0.00 H new ATOM 0 HB THR A 513 14.278 -1.929 -4.249 1.00 0.00 H new ATOM 0 HG1 THR A 513 13.286 -2.487 -1.983 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.284 -0.928 -3.220 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.347 0.275 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 513 15.255 0.243 -2.362 1.00 0.00 H new ATOM 1058 N LYS A 514 11.524 -1.649 -5.127 1.00 0.00 N ATOM 1059 CA LYS A 514 10.502 -2.538 -5.666 1.00 0.00 C ATOM 1060 C LYS A 514 10.653 -3.947 -5.100 1.00 0.00 C ATOM 1061 O LYS A 514 9.705 -4.510 -4.554 1.00 0.00 O ATOM 1062 CB LYS A 514 10.586 -2.579 -7.193 1.00 0.00 C ATOM 1063 CG LYS A 514 10.043 -1.330 -7.866 1.00 0.00 C ATOM 1064 CD LYS A 514 10.360 -1.314 -9.352 1.00 0.00 C ATOM 1065 CE LYS A 514 11.818 -0.965 -9.607 1.00 0.00 C ATOM 1066 NZ LYS A 514 12.050 0.505 -9.575 1.00 0.00 N ATOM 0 H LYS A 514 12.044 -1.127 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 514 9.527 -2.150 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 514 11.626 -2.717 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 514 10.034 -3.446 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 514 8.964 -1.279 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 514 10.470 -0.446 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 514 10.138 -2.290 -9.783 1.00 0.00 H new ATOM 0 HD3 LYS A 514 9.718 -0.590 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 514 12.444 -1.448 -8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 514 12.122 -1.360 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 13.056 0.702 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 11.472 0.964 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 11.784 0.878 -8.641 1.00 0.00 H new ATOM 1080 N GLN A 515 11.851 -4.508 -5.234 1.00 0.00 N ATOM 1081 CA GLN A 515 12.125 -5.851 -4.735 1.00 0.00 C ATOM 1082 C GLN A 515 11.357 -6.119 -3.445 1.00 0.00 C ATOM 1083 O GLN A 515 10.482 -6.983 -3.400 1.00 0.00 O ATOM 1084 CB GLN A 515 13.625 -6.033 -4.498 1.00 0.00 C ATOM 1085 CG GLN A 515 14.455 -5.964 -5.770 1.00 0.00 C ATOM 1086 CD GLN A 515 14.282 -7.189 -6.646 1.00 0.00 C ATOM 1087 OE1 GLN A 515 14.671 -8.295 -6.271 1.00 0.00 O ATOM 1088 NE2 GLN A 515 13.695 -6.997 -7.822 1.00 0.00 N ATOM 0 H GLN A 515 12.646 -4.054 -5.683 1.00 0.00 H new ATOM 0 HA GLN A 515 11.794 -6.566 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 515 13.971 -5.265 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.794 -6.996 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 515 14.174 -5.075 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 515 15.507 -5.855 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 515 13.388 -6.063 -8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 515 13.551 -7.784 -8.455 1.00 0.00 H new ATOM 1097 N ASP A 516 11.692 -5.373 -2.398 1.00 0.00 N ATOM 1098 CA ASP A 516 11.034 -5.530 -1.106 1.00 0.00 C ATOM 1099 C ASP A 516 9.517 -5.533 -1.266 1.00 0.00 C ATOM 1100 O ASP A 516 8.829 -6.409 -0.742 1.00 0.00 O ATOM 1101 CB ASP A 516 11.456 -4.409 -0.155 1.00 0.00 C ATOM 1102 CG ASP A 516 12.913 -4.512 0.251 1.00 0.00 C ATOM 1103 OD1 ASP A 516 13.237 -5.389 1.079 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.729 -3.715 -0.258 1.00 0.00 O ATOM 0 H ASP A 516 12.415 -4.654 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 516 11.339 -6.488 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.283 -3.445 -0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 516 10.830 -4.438 0.737 1.00 0.00 H new ATOM 1109 N ALA A 517 9.001 -4.547 -1.992 1.00 0.00 N ATOM 1110 CA ALA A 517 7.566 -4.437 -2.221 1.00 0.00 C ATOM 1111 C ALA A 517 6.997 -5.738 -2.777 1.00 0.00 C ATOM 1112 O ALA A 517 5.905 -6.163 -2.398 1.00 0.00 O ATOM 1113 CB ALA A 517 7.269 -3.283 -3.168 1.00 0.00 C ATOM 0 H ALA A 517 9.556 -3.813 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 517 7.085 -4.240 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.193 -3.213 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.632 -2.352 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 517 7.769 -3.457 -4.121 1.00 0.00 H new ATOM 1119 N LYS A 518 7.744 -6.368 -3.677 1.00 0.00 N ATOM 1120 CA LYS A 518 7.316 -7.622 -4.285 1.00 0.00 C ATOM 1121 C LYS A 518 7.295 -8.747 -3.255 1.00 0.00 C ATOM 1122 O LYS A 518 6.265 -9.385 -3.038 1.00 0.00 O ATOM 1123 CB LYS A 518 8.243 -7.994 -5.444 1.00 0.00 C ATOM 1124 CG LYS A 518 8.436 -6.875 -6.453 1.00 0.00 C ATOM 1125 CD LYS A 518 7.206 -6.694 -7.326 1.00 0.00 C ATOM 1126 CE LYS A 518 7.278 -5.405 -8.130 1.00 0.00 C ATOM 1127 NZ LYS A 518 6.948 -4.214 -7.299 1.00 0.00 N ATOM 0 H LYS A 518 8.650 -6.030 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 518 6.305 -7.484 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 518 9.215 -8.281 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.838 -8.867 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 518 8.651 -5.944 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 518 9.300 -7.095 -7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 518 7.112 -7.542 -8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 518 6.313 -6.685 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 518 8.279 -5.292 -8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 518 6.588 -5.463 -8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 6.808 -3.388 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 6.076 -4.396 -6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 7.729 -4.025 -6.638 1.00 0.00 H new ATOM 1141 N LYS A 519 8.439 -8.985 -2.622 1.00 0.00 N ATOM 1142 CA LYS A 519 8.552 -10.031 -1.613 1.00 0.00 C ATOM 1143 C LYS A 519 7.431 -9.918 -0.585 1.00 0.00 C ATOM 1144 O LYS A 519 6.622 -10.833 -0.433 1.00 0.00 O ATOM 1145 CB LYS A 519 9.911 -9.947 -0.913 1.00 0.00 C ATOM 1146 CG LYS A 519 11.091 -9.997 -1.868 1.00 0.00 C ATOM 1147 CD LYS A 519 12.387 -10.307 -1.137 1.00 0.00 C ATOM 1148 CE LYS A 519 12.916 -9.087 -0.398 1.00 0.00 C ATOM 1149 NZ LYS A 519 13.877 -9.462 0.675 1.00 0.00 N ATOM 0 H LYS A 519 9.301 -8.467 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 519 8.466 -10.996 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.958 -9.022 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.995 -10.768 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.912 -10.755 -2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 519 11.183 -9.042 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 519 12.221 -11.119 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 519 13.134 -10.654 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 519 13.405 -8.418 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 519 12.082 -8.536 0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 14.214 -8.603 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 13.404 -10.080 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 14.685 -9.965 0.257 1.00 0.00 H new ATOM 1163 N ALA A 520 7.389 -8.791 0.118 1.00 0.00 N ATOM 1164 CA ALA A 520 6.365 -8.558 1.128 1.00 0.00 C ATOM 1165 C ALA A 520 4.967 -8.683 0.532 1.00 0.00 C ATOM 1166 O ALA A 520 4.160 -9.498 0.980 1.00 0.00 O ATOM 1167 CB ALA A 520 6.551 -7.188 1.762 1.00 0.00 C ATOM 0 H ALA A 520 8.053 -8.025 0.006 1.00 0.00 H new ATOM 0 HA ALA A 520 6.471 -9.320 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.779 -7.028 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.533 -7.135 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.475 -6.418 0.994 1.00 0.00 H new ATOM 1173 N PHE A 521 4.686 -7.869 -0.480 1.00 0.00 N ATOM 1174 CA PHE A 521 3.384 -7.887 -1.137 1.00 0.00 C ATOM 1175 C PHE A 521 2.857 -9.313 -1.261 1.00 0.00 C ATOM 1176 O PHE A 521 1.777 -9.632 -0.767 1.00 0.00 O ATOM 1177 CB PHE A 521 3.479 -7.244 -2.522 1.00 0.00 C ATOM 1178 CG PHE A 521 2.215 -7.361 -3.325 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.929 -8.521 -4.026 1.00 0.00 C ATOM 1180 CD2 PHE A 521 1.314 -6.310 -3.379 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.767 -8.631 -4.766 1.00 0.00 C ATOM 1182 CE2 PHE A 521 0.150 -6.414 -4.117 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.124 -7.577 -4.811 1.00 0.00 C ATOM 0 H PHE A 521 5.342 -7.189 -0.863 1.00 0.00 H new ATOM 0 HA PHE A 521 2.688 -7.313 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.731 -6.190 -2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 521 4.295 -7.709 -3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 521 2.622 -9.349 -3.994 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.524 -5.399 -2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 521 0.556 -9.541 -5.309 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -0.544 -5.587 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.033 -7.662 -5.388 1.00 0.00 H new ATOM 1193 N ASN A 522 3.629 -10.167 -1.925 1.00 0.00 N ATOM 1194 CA ASN A 522 3.240 -11.560 -2.116 1.00 0.00 C ATOM 1195 C ASN A 522 3.206 -12.303 -0.784 1.00 0.00 C ATOM 1196 O ASN A 522 2.326 -13.128 -0.544 1.00 0.00 O ATOM 1197 CB ASN A 522 4.209 -12.255 -3.075 1.00 0.00 C ATOM 1198 CG ASN A 522 3.563 -13.413 -3.811 1.00 0.00 C ATOM 1199 OD1 ASN A 522 2.444 -13.297 -4.313 1.00 0.00 O ATOM 1200 ND2 ASN A 522 4.266 -14.537 -3.878 1.00 0.00 N ATOM 0 H ASN A 522 4.527 -9.919 -2.340 1.00 0.00 H new ATOM 0 HA ASN A 522 2.239 -11.576 -2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 522 4.582 -11.530 -3.799 1.00 0.00 H new ATOM 0 HB3 ASN A 522 5.071 -12.619 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 522 3.883 -15.350 -4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 522 5.189 -14.588 -3.447 1.00 0.00 H new ATOM 1207 N ALA A 523 4.171 -12.002 0.080 1.00 0.00 N ATOM 1208 CA ALA A 523 4.250 -12.638 1.389 1.00 0.00 C ATOM 1209 C ALA A 523 2.935 -12.500 2.147 1.00 0.00 C ATOM 1210 O ALA A 523 2.359 -13.491 2.598 1.00 0.00 O ATOM 1211 CB ALA A 523 5.393 -12.043 2.197 1.00 0.00 C ATOM 0 H ALA A 523 4.908 -11.322 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 523 4.442 -13.700 1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.440 -12.528 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.333 -12.200 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.226 -10.974 2.331 1.00 0.00 H new ATOM 1217 N LEU A 524 2.464 -11.265 2.285 1.00 0.00 N ATOM 1218 CA LEU A 524 1.216 -10.996 2.990 1.00 0.00 C ATOM 1219 C LEU A 524 0.013 -11.290 2.099 1.00 0.00 C ATOM 1220 O LEU A 524 -0.885 -12.041 2.479 1.00 0.00 O ATOM 1221 CB LEU A 524 1.175 -9.541 3.459 1.00 0.00 C ATOM 1222 CG LEU A 524 2.380 -9.062 4.268 1.00 0.00 C ATOM 1223 CD1 LEU A 524 2.337 -7.553 4.449 1.00 0.00 C ATOM 1224 CD2 LEU A 524 2.427 -9.761 5.619 1.00 0.00 C ATOM 0 H LEU A 524 2.928 -10.434 1.918 1.00 0.00 H new ATOM 0 HA LEU A 524 1.170 -11.652 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.073 -8.901 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.278 -9.400 4.063 1.00 0.00 H new ATOM 0 HG LEU A 524 3.286 -9.315 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 524 3.203 -7.231 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 524 2.352 -7.069 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.425 -7.276 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 524 3.291 -9.408 6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.516 -9.539 6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 524 2.507 -10.838 5.469 1.00 0.00 H new ATOM 1236 N CYS A 525 0.004 -10.694 0.912 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.088 -10.892 -0.035 1.00 0.00 C ATOM 1238 C CYS A 525 -1.581 -12.335 -0.002 1.00 0.00 C ATOM 1239 O CYS A 525 -2.784 -12.593 -0.062 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.637 -10.527 -1.450 1.00 0.00 C ATOM 1241 SG CYS A 525 -1.819 -10.978 -2.741 1.00 0.00 S ATOM 0 H CYS A 525 0.740 -10.070 0.582 1.00 0.00 H new ATOM 0 HA CYS A 525 -1.911 -10.239 0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -0.457 -9.453 -1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 525 0.314 -11.019 -1.655 1.00 0.00 H new ATOM 0 HG CYS A 525 -1.349 -10.627 -3.901 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.644 -13.273 0.093 1.00 0.00 N ATOM 1248 CA HIS A 526 -0.983 -14.691 0.132 1.00 0.00 C ATOM 1249 C HIS A 526 -1.990 -14.978 1.242 1.00 0.00 C ATOM 1250 O HIS A 526 -3.048 -15.558 0.997 1.00 0.00 O ATOM 1251 CB HIS A 526 0.277 -15.533 0.342 1.00 0.00 C ATOM 1252 CG HIS A 526 0.979 -15.887 -0.933 1.00 0.00 C ATOM 1253 ND1 HIS A 526 1.801 -16.987 -1.059 1.00 0.00 N ATOM 1254 CD2 HIS A 526 0.976 -15.281 -2.143 1.00 0.00 C ATOM 1255 CE1 HIS A 526 2.275 -17.042 -2.291 1.00 0.00 C ATOM 1256 NE2 HIS A 526 1.789 -16.018 -2.969 1.00 0.00 N ATOM 0 H HIS A 526 0.356 -13.077 0.144 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.435 -14.958 -0.824 1.00 0.00 H new ATOM 0 HB2 HIS A 526 0.966 -14.987 0.987 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.008 -16.450 0.866 1.00 0.00 H new ATOM 0 HD1 HIS A 526 2.010 -17.654 -0.317 1.00 0.00 H new ATOM 0 HD2 HIS A 526 0.435 -14.385 -2.409 1.00 0.00 H new ATOM 0 HE1 HIS A 526 2.945 -17.795 -2.678 1.00 0.00 H new ATOM 1264 N SER A 527 -1.654 -14.569 2.461 1.00 0.00 N ATOM 1265 CA SER A 527 -2.527 -14.786 3.608 1.00 0.00 C ATOM 1266 C SER A 527 -2.188 -13.820 4.739 1.00 0.00 C ATOM 1267 O SER A 527 -1.160 -13.958 5.403 1.00 0.00 O ATOM 1268 CB SER A 527 -2.406 -16.229 4.102 1.00 0.00 C ATOM 1269 OG SER A 527 -1.106 -16.490 4.602 1.00 0.00 O ATOM 0 H SER A 527 -0.783 -14.085 2.680 1.00 0.00 H new ATOM 0 HA SER A 527 -3.554 -14.602 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 527 -3.143 -16.412 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 527 -2.630 -16.916 3.286 1.00 0.00 H new ATOM 0 HG SER A 527 -0.756 -15.685 5.038 1.00 0.00 H new ATOM 1275 N THR A 528 -3.061 -12.840 4.953 1.00 0.00 N ATOM 1276 CA THR A 528 -2.856 -11.849 6.002 1.00 0.00 C ATOM 1277 C THR A 528 -4.052 -11.791 6.945 1.00 0.00 C ATOM 1278 O THR A 528 -5.153 -11.411 6.544 1.00 0.00 O ATOM 1279 CB THR A 528 -2.613 -10.448 5.411 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.936 -10.557 4.154 1.00 0.00 O ATOM 1281 CG2 THR A 528 -1.789 -9.594 6.364 1.00 0.00 C ATOM 0 H THR A 528 -3.917 -12.712 4.413 1.00 0.00 H new ATOM 0 HA THR A 528 -1.972 -12.158 6.560 1.00 0.00 H new ATOM 0 HB THR A 528 -3.580 -9.968 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.407 -11.382 4.138 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.630 -8.609 5.925 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.320 -9.488 7.310 1.00 0.00 H new ATOM 0 HG23 THR A 528 -0.826 -10.072 6.541 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.830 -12.168 8.200 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.891 -12.156 9.201 1.00 0.00 C ATOM 1291 C HIS A 529 -4.548 -11.208 10.345 1.00 0.00 C ATOM 1292 O HIS A 529 -3.544 -11.388 11.035 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.124 -13.567 9.744 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.130 -14.624 8.683 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.725 -14.450 7.452 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -4.607 -15.872 8.675 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -5.570 -15.547 6.732 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -4.894 -16.425 7.451 1.00 0.00 N ATOM 0 H HIS A 529 -2.925 -12.486 8.548 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.805 -11.803 8.722 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.347 -13.800 10.473 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -6.076 -13.591 10.274 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -4.065 -16.345 9.481 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -5.934 -15.700 5.727 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -4.628 -17.362 7.147 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.387 -10.197 10.541 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.173 -9.218 11.602 1.00 0.00 C ATOM 1308 C LEU A 530 -6.470 -8.936 12.353 1.00 0.00 C ATOM 1309 O LEU A 530 -7.489 -8.599 11.748 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.615 -7.919 11.019 1.00 0.00 C ATOM 1311 CG LEU A 530 -3.957 -6.964 12.016 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.601 -7.497 12.450 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -3.818 -5.575 11.411 1.00 0.00 C ATOM 0 H LEU A 530 -6.222 -10.033 9.979 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.451 -9.633 12.305 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -3.883 -8.173 10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.427 -7.389 10.521 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.595 -6.892 12.897 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.148 -6.804 13.159 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.727 -8.470 12.924 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -1.954 -7.599 11.579 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.348 -4.909 12.134 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.202 -5.629 10.513 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -4.804 -5.191 11.151 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.425 -9.075 13.673 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.597 -8.835 14.507 1.00 0.00 C ATOM 1327 C TYR A 531 -8.800 -9.621 13.994 1.00 0.00 C ATOM 1328 O TYR A 531 -9.930 -9.133 14.017 1.00 0.00 O ATOM 1329 CB TYR A 531 -7.927 -7.342 14.543 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.852 -6.500 15.192 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.668 -6.513 16.569 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.019 -5.692 14.427 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.687 -5.744 17.166 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.034 -4.921 15.016 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.873 -4.951 16.385 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.894 -4.185 16.976 1.00 0.00 O ATOM 0 H TYR A 531 -5.590 -9.353 14.189 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.368 -9.174 15.517 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.087 -6.989 13.524 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.864 -7.198 15.081 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -7.302 -7.135 17.183 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.143 -5.666 13.354 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.559 -5.764 18.238 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.394 -4.299 14.407 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.408 -3.686 16.286 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.549 -10.842 13.533 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.620 -11.677 13.022 1.00 0.00 C ATOM 1348 C GLY A 532 -10.203 -11.145 11.728 1.00 0.00 C ATOM 1349 O GLY A 532 -11.405 -11.259 11.487 1.00 0.00 O ATOM 0 H GLY A 532 -7.623 -11.268 13.504 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.243 -12.687 12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.409 -11.748 13.770 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.350 -10.559 10.893 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.788 -10.005 9.618 1.00 0.00 C ATOM 1355 C ARG A 533 -8.813 -10.369 8.503 1.00 0.00 C ATOM 1356 O ARG A 533 -7.626 -10.585 8.749 1.00 0.00 O ATOM 1357 CB ARG A 533 -9.921 -8.484 9.718 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.075 -8.029 10.596 1.00 0.00 C ATOM 1359 CD ARG A 533 -11.625 -6.686 10.143 1.00 0.00 C ATOM 1360 NE ARG A 533 -12.793 -6.282 10.920 1.00 0.00 N ATOM 1361 CZ ARG A 533 -13.471 -5.161 10.699 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -13.099 -4.338 9.729 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -14.524 -4.863 11.450 1.00 0.00 N ATOM 0 H ARG A 533 -8.352 -10.456 11.077 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.761 -10.433 9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -8.992 -8.072 10.112 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.053 -8.073 8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -11.869 -8.775 10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -10.739 -7.956 11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -10.848 -5.927 10.235 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -11.893 -6.742 9.088 1.00 0.00 H new ATOM 0 HE ARG A 533 -13.106 -6.894 11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -12.290 -4.565 9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -13.621 -3.478 9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -14.813 -5.495 12.197 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -15.044 -4.002 11.280 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.322 -10.435 7.277 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.496 -10.775 6.124 1.00 0.00 C ATOM 1379 C ARG A 534 -8.192 -9.535 5.289 1.00 0.00 C ATOM 1380 O ARG A 534 -9.036 -9.065 4.525 1.00 0.00 O ATOM 1381 CB ARG A 534 -9.197 -11.825 5.260 1.00 0.00 C ATOM 1382 CG ARG A 534 -8.430 -12.186 3.999 1.00 0.00 C ATOM 1383 CD ARG A 534 -7.224 -13.059 4.310 1.00 0.00 C ATOM 1384 NE ARG A 534 -7.564 -14.480 4.315 1.00 0.00 N ATOM 1385 CZ ARG A 534 -7.741 -15.197 3.211 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -7.610 -14.629 2.020 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -8.048 -16.485 3.297 1.00 0.00 N ATOM 0 H ARG A 534 -10.302 -10.258 7.056 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.555 -11.185 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -9.351 -12.727 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -10.184 -11.454 4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -9.090 -12.709 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.102 -11.275 3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -6.443 -12.876 3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.816 -12.780 5.281 1.00 0.00 H new ATOM 0 HE ARG A 534 -7.671 -14.947 5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -7.373 -13.639 1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -7.746 -15.182 1.174 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -8.148 -16.925 4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -8.184 -17.035 2.449 1.00 0.00 H new ATOM 1401 N LEU A 535 -6.981 -9.009 5.441 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.565 -7.822 4.701 1.00 0.00 C ATOM 1403 C LEU A 535 -6.392 -8.137 3.219 1.00 0.00 C ATOM 1404 O LEU A 535 -6.009 -9.248 2.850 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.256 -7.274 5.273 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.255 -6.968 6.772 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -3.866 -6.553 7.230 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.272 -5.883 7.095 1.00 0.00 C ATOM 0 H LEU A 535 -6.271 -9.385 6.069 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.345 -7.067 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.464 -7.994 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.002 -6.360 4.736 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.537 -7.874 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -3.884 -6.339 8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.161 -7.361 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.555 -5.661 6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.258 -5.678 8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.021 -4.974 6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.267 -6.219 6.803 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.675 -7.152 2.373 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.549 -7.323 0.931 1.00 0.00 C ATOM 1422 C VAL A 536 -5.466 -6.412 0.363 1.00 0.00 C ATOM 1423 O VAL A 536 -5.648 -5.197 0.268 1.00 0.00 O ATOM 1424 CB VAL A 536 -7.879 -7.030 0.212 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.724 -7.207 -1.291 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -8.984 -7.926 0.751 1.00 0.00 C ATOM 0 H VAL A 536 -6.993 -6.227 2.662 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.273 -8.363 0.759 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.156 -5.994 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.674 -6.996 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -6.963 -6.520 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.424 -8.232 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -9.917 -7.706 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -8.717 -8.970 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.111 -7.745 1.818 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.339 -7.006 -0.015 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.225 -6.248 -0.575 1.00 0.00 C ATOM 1438 C LEU A 537 -3.340 -6.154 -2.093 1.00 0.00 C ATOM 1439 O LEU A 537 -3.398 -7.170 -2.784 1.00 0.00 O ATOM 1440 CB LEU A 537 -1.896 -6.900 -0.192 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.433 -6.684 1.249 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -2.054 -7.722 2.171 1.00 0.00 C ATOM 1443 CD2 LEU A 537 0.086 -6.733 1.335 1.00 0.00 C ATOM 0 H LEU A 537 -4.173 -8.010 0.056 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.260 -5.239 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -1.976 -7.972 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.123 -6.523 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.764 -5.697 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -1.713 -7.552 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -3.140 -7.639 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.755 -8.720 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 537 0.397 -6.577 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 537 0.439 -7.706 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 537 0.511 -5.951 0.706 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.370 -4.927 -2.604 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.476 -4.701 -4.041 1.00 0.00 C ATOM 1457 C GLU A 538 -2.543 -3.578 -4.485 1.00 0.00 C ATOM 1458 O GLU A 538 -2.099 -2.767 -3.672 1.00 0.00 O ATOM 1459 CB GLU A 538 -4.919 -4.361 -4.421 1.00 0.00 C ATOM 1460 CG GLU A 538 -5.852 -5.559 -4.402 1.00 0.00 C ATOM 1461 CD GLU A 538 -5.654 -6.472 -5.596 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -4.494 -6.841 -5.875 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -6.659 -6.818 -6.251 1.00 0.00 O ATOM 0 H GLU A 538 -3.322 -4.075 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.180 -5.618 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.298 -3.605 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -4.929 -3.919 -5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -5.690 -6.126 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -6.885 -5.210 -4.383 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.250 -3.539 -5.780 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.369 -2.516 -6.333 1.00 0.00 C ATOM 1472 C TRP A 539 -2.161 -1.281 -6.746 1.00 0.00 C ATOM 1473 O TRP A 539 -2.954 -1.326 -7.686 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.602 -3.070 -7.534 1.00 0.00 C ATOM 1475 CG TRP A 539 0.275 -4.237 -7.192 1.00 0.00 C ATOM 1476 CD1 TRP A 539 -0.019 -5.560 -7.361 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.587 -4.185 -6.621 1.00 0.00 C ATOM 1478 NE1 TRP A 539 1.032 -6.334 -6.929 1.00 0.00 N ATOM 1479 CE2 TRP A 539 2.030 -5.514 -6.472 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.432 -3.145 -6.224 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.278 -5.827 -5.941 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.671 -3.458 -5.697 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.085 -4.789 -5.560 1.00 0.00 C ATOM 0 H TRP A 539 -2.609 -4.203 -6.466 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.658 -2.227 -5.559 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.314 -3.372 -8.302 1.00 0.00 H new ATOM 0 HB3 TRP A 539 0.011 -2.277 -7.962 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -0.941 -5.942 -7.773 1.00 0.00 H new ATOM 0 HE1 TRP A 539 1.064 -7.353 -6.946 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.123 -2.115 -6.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.598 -6.853 -5.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.331 -2.662 -5.385 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.060 -5.000 -5.146 1.00 0.00 H new ATOM 1494 N ALA A 540 -1.942 -0.178 -6.037 1.00 0.00 N ATOM 1495 CA ALA A 540 -2.634 1.070 -6.333 1.00 0.00 C ATOM 1496 C ALA A 540 -2.434 1.478 -7.789 1.00 0.00 C ATOM 1497 O ALA A 540 -1.318 1.436 -8.307 1.00 0.00 O ATOM 1498 CB ALA A 540 -2.152 2.174 -5.403 1.00 0.00 C ATOM 0 H ALA A 540 -1.291 -0.124 -5.254 1.00 0.00 H new ATOM 0 HA ALA A 540 -3.700 0.912 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -2.677 3.100 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -2.353 1.892 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -1.080 2.321 -5.537 1.00 0.00 H new ATOM 1504 N ASP A 541 -3.522 1.870 -8.443 1.00 0.00 N ATOM 1505 CA ASP A 541 -3.466 2.285 -9.840 1.00 0.00 C ATOM 1506 C ASP A 541 -3.101 3.762 -9.954 1.00 0.00 C ATOM 1507 O ASP A 541 -3.974 4.618 -10.094 1.00 0.00 O ATOM 1508 CB ASP A 541 -4.808 2.024 -10.526 1.00 0.00 C ATOM 1509 CG ASP A 541 -5.987 2.429 -9.664 1.00 0.00 C ATOM 1510 OD1 ASP A 541 -6.377 3.615 -9.710 1.00 0.00 O ATOM 1511 OD2 ASP A 541 -6.521 1.560 -8.944 1.00 0.00 O ATOM 0 H ASP A 541 -4.453 1.909 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 541 -2.693 1.699 -10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -4.844 2.573 -11.467 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -4.888 0.965 -10.771 1.00 0.00 H new ATOM 1516 N SER A 542 -1.805 4.053 -9.891 1.00 0.00 N ATOM 1517 CA SER A 542 -1.325 5.427 -9.982 1.00 0.00 C ATOM 1518 C SER A 542 -1.152 5.846 -11.438 1.00 0.00 C ATOM 1519 O SER A 542 -0.320 5.296 -12.159 1.00 0.00 O ATOM 1520 CB SER A 542 0.002 5.576 -9.235 1.00 0.00 C ATOM 1521 OG SER A 542 0.627 6.809 -9.547 1.00 0.00 O ATOM 0 H SER A 542 -1.069 3.356 -9.777 1.00 0.00 H new ATOM 0 HA SER A 542 -2.068 6.077 -9.521 1.00 0.00 H new ATOM 0 HB2 SER A 542 -0.173 5.515 -8.161 1.00 0.00 H new ATOM 0 HB3 SER A 542 0.665 4.752 -9.497 1.00 0.00 H new ATOM 0 HG SER A 542 1.472 6.881 -9.056 1.00 0.00 H new ATOM 1527 N GLU A 543 -1.945 6.825 -11.864 1.00 0.00 N ATOM 1528 CA GLU A 543 -1.880 7.318 -13.234 1.00 0.00 C ATOM 1529 C GLU A 543 -0.649 8.196 -13.439 1.00 0.00 C ATOM 1530 O GLU A 543 -0.394 9.119 -12.664 1.00 0.00 O ATOM 1531 CB GLU A 543 -3.145 8.108 -13.576 1.00 0.00 C ATOM 1532 CG GLU A 543 -3.201 8.571 -15.022 1.00 0.00 C ATOM 1533 CD GLU A 543 -4.480 9.319 -15.346 1.00 0.00 C ATOM 1534 OE1 GLU A 543 -4.908 10.151 -14.519 1.00 0.00 O ATOM 1535 OE2 GLU A 543 -5.054 9.071 -16.428 1.00 0.00 O ATOM 0 H GLU A 543 -2.639 7.291 -11.280 1.00 0.00 H new ATOM 0 HA GLU A 543 -1.806 6.457 -13.899 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -4.017 7.489 -13.368 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -3.208 8.978 -12.922 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -2.346 9.215 -15.227 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -3.113 7.706 -15.680 1.00 0.00 H new ATOM 1542 N VAL A 544 0.113 7.902 -14.488 1.00 0.00 N ATOM 1543 CA VAL A 544 1.317 8.664 -14.796 1.00 0.00 C ATOM 1544 C VAL A 544 0.970 10.033 -15.371 1.00 0.00 C ATOM 1545 O VAL A 544 -0.056 10.200 -16.031 1.00 0.00 O ATOM 1546 CB VAL A 544 2.217 7.913 -15.796 1.00 0.00 C ATOM 1547 CG1 VAL A 544 3.169 6.982 -15.062 1.00 0.00 C ATOM 1548 CG2 VAL A 544 1.370 7.142 -16.798 1.00 0.00 C ATOM 0 H VAL A 544 -0.082 7.141 -15.139 1.00 0.00 H new ATOM 0 HA VAL A 544 1.857 8.793 -13.858 1.00 0.00 H new ATOM 0 HB VAL A 544 2.812 8.644 -16.344 1.00 0.00 H new ATOM 0 HG11 VAL A 544 3.797 6.460 -15.784 1.00 0.00 H new ATOM 0 HG12 VAL A 544 3.798 7.563 -14.387 1.00 0.00 H new ATOM 0 HG13 VAL A 544 2.596 6.255 -14.487 1.00 0.00 H new ATOM 0 HG21 VAL A 544 2.021 6.617 -17.497 1.00 0.00 H new ATOM 0 HG22 VAL A 544 0.748 6.420 -16.269 1.00 0.00 H new ATOM 0 HG23 VAL A 544 0.733 7.836 -17.346 1.00 0.00 H new ATOM 1558 N THR A 545 1.833 11.012 -15.116 1.00 0.00 N ATOM 1559 CA THR A 545 1.617 12.367 -15.608 1.00 0.00 C ATOM 1560 C THR A 545 2.782 12.828 -16.477 1.00 0.00 C ATOM 1561 O THR A 545 3.811 13.273 -15.968 1.00 0.00 O ATOM 1562 CB THR A 545 1.432 13.362 -14.447 1.00 0.00 C ATOM 1563 OG1 THR A 545 2.541 13.276 -13.546 1.00 0.00 O ATOM 1564 CG2 THR A 545 0.139 13.083 -13.696 1.00 0.00 C ATOM 0 H THR A 545 2.687 10.892 -14.572 1.00 0.00 H new ATOM 0 HA THR A 545 0.707 12.345 -16.207 1.00 0.00 H new ATOM 0 HB THR A 545 1.381 14.368 -14.865 1.00 0.00 H new ATOM 0 HG1 THR A 545 3.379 13.323 -14.053 1.00 0.00 H new ATOM 0 HG21 THR A 545 0.030 13.798 -12.881 1.00 0.00 H new ATOM 0 HG22 THR A 545 -0.706 13.179 -14.378 1.00 0.00 H new ATOM 0 HG23 THR A 545 0.165 12.072 -13.290 1.00 0.00 H new ATOM 1572 N VAL A 546 2.612 12.721 -17.791 1.00 0.00 N ATOM 1573 CA VAL A 546 3.649 13.129 -18.731 1.00 0.00 C ATOM 1574 C VAL A 546 3.100 13.217 -20.151 1.00 0.00 C ATOM 1575 O VAL A 546 2.445 12.292 -20.631 1.00 0.00 O ATOM 1576 CB VAL A 546 4.840 12.152 -18.712 1.00 0.00 C ATOM 1577 CG1 VAL A 546 4.396 10.760 -19.137 1.00 0.00 C ATOM 1578 CG2 VAL A 546 5.959 12.660 -19.609 1.00 0.00 C ATOM 0 H VAL A 546 1.766 12.355 -18.228 1.00 0.00 H new ATOM 0 HA VAL A 546 3.992 14.114 -18.416 1.00 0.00 H new ATOM 0 HB VAL A 546 5.221 12.090 -17.693 1.00 0.00 H new ATOM 0 HG11 VAL A 546 5.251 10.084 -19.117 1.00 0.00 H new ATOM 0 HG12 VAL A 546 3.630 10.397 -18.451 1.00 0.00 H new ATOM 0 HG13 VAL A 546 3.989 10.801 -20.147 1.00 0.00 H new ATOM 0 HG21 VAL A 546 6.792 11.958 -19.584 1.00 0.00 H new ATOM 0 HG22 VAL A 546 5.592 12.752 -20.631 1.00 0.00 H new ATOM 0 HG23 VAL A 546 6.295 13.635 -19.255 1.00 0.00 H new ATOM 1588 N GLN A 547 3.372 14.334 -20.816 1.00 0.00 N ATOM 1589 CA GLN A 547 2.904 14.543 -22.181 1.00 0.00 C ATOM 1590 C GLN A 547 3.906 13.990 -23.190 1.00 0.00 C ATOM 1591 O GLN A 547 5.081 13.803 -22.874 1.00 0.00 O ATOM 1592 CB GLN A 547 2.670 16.032 -22.441 1.00 0.00 C ATOM 1593 CG GLN A 547 3.944 16.860 -22.428 1.00 0.00 C ATOM 1594 CD GLN A 547 3.685 18.326 -22.140 1.00 0.00 C ATOM 1595 OE1 GLN A 547 2.593 18.836 -22.391 1.00 0.00 O ATOM 1596 NE2 GLN A 547 4.691 19.012 -21.610 1.00 0.00 N ATOM 0 H GLN A 547 3.914 15.108 -20.432 1.00 0.00 H new ATOM 0 HA GLN A 547 1.962 14.009 -22.301 1.00 0.00 H new ATOM 0 HB2 GLN A 547 2.179 16.151 -23.407 1.00 0.00 H new ATOM 0 HB3 GLN A 547 1.986 16.421 -21.686 1.00 0.00 H new ATOM 0 HG2 GLN A 547 4.625 16.461 -21.676 1.00 0.00 H new ATOM 0 HG3 GLN A 547 4.444 16.766 -23.392 1.00 0.00 H new ATOM 0 HE21 GLN A 547 5.579 18.549 -21.418 1.00 0.00 H new ATOM 0 HE22 GLN A 547 4.575 20.002 -21.395 1.00 0.00 H new ATOM 1605 N SER A 548 3.434 13.732 -24.405 1.00 0.00 N ATOM 1606 CA SER A 548 4.287 13.197 -25.460 1.00 0.00 C ATOM 1607 C SER A 548 5.626 13.928 -25.498 1.00 0.00 C ATOM 1608 O SER A 548 5.801 14.960 -24.852 1.00 0.00 O ATOM 1609 CB SER A 548 3.591 13.313 -26.817 1.00 0.00 C ATOM 1610 OG SER A 548 2.596 12.314 -26.966 1.00 0.00 O ATOM 0 H SER A 548 2.465 13.885 -24.684 1.00 0.00 H new ATOM 0 HA SER A 548 4.473 12.145 -25.245 1.00 0.00 H new ATOM 0 HB2 SER A 548 3.138 14.300 -26.914 1.00 0.00 H new ATOM 0 HB3 SER A 548 4.327 13.220 -27.616 1.00 0.00 H new ATOM 0 HG SER A 548 2.164 12.410 -27.841 1.00 0.00 H new ATOM 1616 N GLY A 549 6.569 13.384 -26.261 1.00 0.00 N ATOM 1617 CA GLY A 549 7.880 13.996 -26.371 1.00 0.00 C ATOM 1618 C GLY A 549 9.004 12.994 -26.199 1.00 0.00 C ATOM 1619 O GLY A 549 9.575 12.849 -25.118 1.00 0.00 O ATOM 0 H GLY A 549 6.448 12.530 -26.805 1.00 0.00 H new ATOM 0 HA2 GLY A 549 7.972 14.477 -27.345 1.00 0.00 H new ATOM 0 HA3 GLY A 549 7.977 14.778 -25.618 1.00 0.00 H new ATOM 1623 N PRO A 550 9.336 12.279 -27.284 1.00 0.00 N ATOM 1624 CA PRO A 550 10.401 11.272 -27.274 1.00 0.00 C ATOM 1625 C PRO A 550 11.786 11.895 -27.140 1.00 0.00 C ATOM 1626 O PRO A 550 12.278 12.542 -28.064 1.00 0.00 O ATOM 1627 CB PRO A 550 10.252 10.584 -28.633 1.00 0.00 C ATOM 1628 CG PRO A 550 9.603 11.603 -29.504 1.00 0.00 C ATOM 1629 CD PRO A 550 8.697 12.399 -28.606 1.00 0.00 C ATOM 0 HA PRO A 550 10.312 10.593 -26.426 1.00 0.00 H new ATOM 0 HB2 PRO A 550 11.220 10.281 -29.032 1.00 0.00 H new ATOM 0 HB3 PRO A 550 9.643 9.683 -28.556 1.00 0.00 H new ATOM 0 HG2 PRO A 550 10.347 12.245 -29.975 1.00 0.00 H new ATOM 0 HG3 PRO A 550 9.038 11.128 -30.306 1.00 0.00 H new ATOM 0 HD2 PRO A 550 8.627 13.439 -28.926 1.00 0.00 H new ATOM 0 HD3 PRO A 550 7.683 11.998 -28.600 1.00 0.00 H new ATOM 1637 N SER A 551 12.411 11.694 -25.984 1.00 0.00 N ATOM 1638 CA SER A 551 13.739 12.239 -25.729 1.00 0.00 C ATOM 1639 C SER A 551 14.808 11.430 -26.457 1.00 0.00 C ATOM 1640 O SER A 551 14.756 10.200 -26.491 1.00 0.00 O ATOM 1641 CB SER A 551 14.028 12.251 -24.226 1.00 0.00 C ATOM 1642 OG SER A 551 15.403 12.487 -23.973 1.00 0.00 O ATOM 0 H SER A 551 12.019 11.158 -25.210 1.00 0.00 H new ATOM 0 HA SER A 551 13.763 13.262 -26.105 1.00 0.00 H new ATOM 0 HB2 SER A 551 13.428 13.023 -23.743 1.00 0.00 H new ATOM 0 HB3 SER A 551 13.733 11.298 -23.788 1.00 0.00 H new ATOM 0 HG SER A 551 15.562 12.492 -23.006 1.00 0.00 H new ATOM 1648 N SER A 552 15.777 12.129 -27.039 1.00 0.00 N ATOM 1649 CA SER A 552 16.857 11.477 -27.771 1.00 0.00 C ATOM 1650 C SER A 552 18.157 12.263 -27.634 1.00 0.00 C ATOM 1651 O SER A 552 18.160 13.407 -27.181 1.00 0.00 O ATOM 1652 CB SER A 552 16.487 11.334 -29.248 1.00 0.00 C ATOM 1653 OG SER A 552 15.803 10.116 -29.487 1.00 0.00 O ATOM 0 H SER A 552 15.837 13.147 -27.018 1.00 0.00 H new ATOM 0 HA SER A 552 17.006 10.485 -27.344 1.00 0.00 H new ATOM 0 HB2 SER A 552 15.860 12.172 -29.552 1.00 0.00 H new ATOM 0 HB3 SER A 552 17.390 11.373 -29.858 1.00 0.00 H new ATOM 0 HG SER A 552 15.332 9.840 -28.673 1.00 0.00 H new ATOM 1659 N GLY A 553 19.263 11.639 -28.030 1.00 0.00 N ATOM 1660 CA GLY A 553 20.555 12.294 -27.944 1.00 0.00 C ATOM 1661 C GLY A 553 20.757 13.006 -26.622 1.00 0.00 C ATOM 1662 O GLY A 553 21.591 12.600 -25.812 1.00 0.00 O ATOM 0 H GLY A 553 19.287 10.692 -28.409 1.00 0.00 H new ATOM 0 HA2 GLY A 553 21.344 11.554 -28.079 1.00 0.00 H new ATOM 0 HA3 GLY A 553 20.650 13.012 -28.758 1.00 0.00 H new TER 1666 GLY A 553