USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 553 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 47 THR OG1 : rot 27:sc= -0.115 USER MOD Set 1.2: A 83 SER OG : rot -64:sc= 0.147 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -89:sc= 0.498 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.26 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.6) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -15:sc= 0.592! USER MOD Single : A 76 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.9) USER MOD Single : A 82 THR OG1 : rot 10:sc= 1.25 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 16:sc= 0.986 USER MOD Single : A 93 LYS NZ :NH3+ -151:sc= -0.196 (180deg=-0.773) USER MOD Single : A 95 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.7!) USER MOD Single : A 96 GLN : amide:sc= -0.185 K(o=-0.18,f=-0.98) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 53:sc= 1.22 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 115 MET CE :methyl -120:sc= 0 (180deg=-0.638) USER MOD Single : A 116 THR OG1 : rot -162:sc= -0.729 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 118 LYS NZ :NH3+ 173:sc=-0.00148 (180deg=-0.0236) USER MOD Single : A 119 THR OG1 : rot 180:sc= -1.25 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 34.333 -38.646 -66.846 1.00 32.44 N ATOM 472 CA ALA A 33 33.574 -39.582 -67.667 1.00 3.22 C ATOM 473 C ALA A 33 32.971 -40.695 -66.817 1.00 5.14 C ATOM 474 O ALA A 33 33.553 -41.108 -65.814 1.00 13.41 O ATOM 475 CB ALA A 33 34.461 -40.168 -68.755 1.00 44.02 C ATOM 0 HA ALA A 33 32.756 -39.035 -68.135 1.00 3.22 H new ATOM 0 HB1 ALA A 33 33.882 -40.865 -69.360 1.00 44.02 H new ATOM 0 HB2 ALA A 33 34.839 -39.365 -69.388 1.00 44.02 H new ATOM 0 HB3 ALA A 33 35.299 -40.694 -68.297 1.00 44.02 H new ATOM 481 N GLY A 34 31.801 -41.177 -67.224 1.00 10.22 N ATOM 482 CA GLY A 34 31.139 -42.237 -66.487 1.00 75.32 C ATOM 483 C GLY A 34 32.042 -43.432 -66.252 1.00 52.33 C ATOM 484 O GLY A 34 32.016 -44.037 -65.181 1.00 11.30 O ATOM 0 H GLY A 34 31.300 -40.852 -68.051 1.00 10.22 H new ATOM 0 HA2 GLY A 34 30.798 -41.849 -65.527 1.00 75.32 H new ATOM 0 HA3 GLY A 34 30.253 -42.557 -67.035 1.00 75.32 H new ATOM 488 N ALA A 35 32.842 -43.773 -67.257 1.00 72.30 N ATOM 489 CA ALA A 35 33.757 -44.903 -67.155 1.00 21.15 C ATOM 490 C ALA A 35 34.755 -44.700 -66.020 1.00 1.23 C ATOM 491 O ALA A 35 35.269 -45.665 -65.453 1.00 5.51 O ATOM 492 CB ALA A 35 34.489 -45.111 -68.472 1.00 54.14 C ATOM 0 H ALA A 35 32.875 -43.283 -68.151 1.00 72.30 H new ATOM 0 HA ALA A 35 33.170 -45.794 -66.934 1.00 21.15 H new ATOM 0 HB1 ALA A 35 35.169 -45.958 -68.381 1.00 54.14 H new ATOM 0 HB2 ALA A 35 33.766 -45.310 -69.263 1.00 54.14 H new ATOM 0 HB3 ALA A 35 35.058 -44.214 -68.718 1.00 54.14 H new ATOM 498 N ILE A 36 35.025 -43.440 -65.694 1.00 32.34 N ATOM 499 CA ILE A 36 35.961 -43.112 -64.626 1.00 42.20 C ATOM 500 C ILE A 36 35.612 -43.854 -63.341 1.00 30.43 C ATOM 501 O ILE A 36 36.489 -44.182 -62.542 1.00 4.15 O ATOM 502 CB ILE A 36 35.982 -41.598 -64.342 1.00 24.34 C ATOM 503 CG1 ILE A 36 37.364 -41.171 -63.842 1.00 13.54 C ATOM 504 CG2 ILE A 36 34.910 -41.235 -63.326 1.00 35.21 C ATOM 505 CD1 ILE A 36 38.003 -40.089 -64.684 1.00 13.53 C ATOM 0 H ILE A 36 34.609 -42.630 -66.154 1.00 32.34 H new ATOM 0 HA ILE A 36 36.949 -43.424 -64.965 1.00 42.20 H new ATOM 0 HB ILE A 36 35.771 -41.066 -65.269 1.00 24.34 H new ATOM 0 HG12 ILE A 36 37.276 -40.817 -62.815 1.00 13.54 H new ATOM 0 HG13 ILE A 36 38.020 -42.041 -63.824 1.00 13.54 H new ATOM 0 HG21 ILE A 36 34.937 -40.162 -63.136 1.00 35.21 H new ATOM 0 HG22 ILE A 36 33.930 -41.509 -63.717 1.00 35.21 H new ATOM 0 HG23 ILE A 36 35.093 -41.773 -62.396 1.00 35.21 H new ATOM 0 HD11 ILE A 36 38.980 -39.836 -64.271 1.00 13.53 H new ATOM 0 HD12 ILE A 36 38.123 -40.447 -65.707 1.00 13.53 H new ATOM 0 HD13 ILE A 36 37.368 -39.203 -64.682 1.00 13.53 H new ATOM 517 N LYS A 37 34.324 -44.119 -63.148 1.00 62.01 N ATOM 518 CA LYS A 37 33.857 -44.826 -61.962 1.00 21.23 C ATOM 519 C LYS A 37 34.449 -46.230 -61.897 1.00 23.33 C ATOM 520 O LYS A 37 34.860 -46.692 -60.832 1.00 62.33 O ATOM 521 CB LYS A 37 32.329 -44.905 -61.959 1.00 33.14 C ATOM 522 CG LYS A 37 31.692 -44.311 -60.714 1.00 75.51 C ATOM 523 CD LYS A 37 31.831 -45.240 -59.519 1.00 42.42 C ATOM 524 CE LYS A 37 32.634 -44.592 -58.401 1.00 71.13 C ATOM 525 NZ LYS A 37 31.776 -43.761 -57.512 1.00 50.43 N ATOM 0 H LYS A 37 33.585 -43.854 -63.799 1.00 62.01 H new ATOM 0 HA LYS A 37 34.188 -44.270 -61.085 1.00 21.23 H new ATOM 0 HB2 LYS A 37 31.945 -44.385 -62.837 1.00 33.14 H new ATOM 0 HB3 LYS A 37 32.027 -45.949 -62.049 1.00 33.14 H new ATOM 0 HG2 LYS A 37 32.159 -43.353 -60.487 1.00 75.51 H new ATOM 0 HG3 LYS A 37 30.637 -44.115 -60.903 1.00 75.51 H new ATOM 0 HD2 LYS A 37 30.842 -45.510 -59.149 1.00 42.42 H new ATOM 0 HD3 LYS A 37 32.318 -46.164 -59.830 1.00 42.42 H new ATOM 0 HE2 LYS A 37 33.126 -45.366 -57.811 1.00 71.13 H new ATOM 0 HE3 LYS A 37 33.420 -43.971 -58.831 1.00 71.13 H new ATOM 0 HZ1 LYS A 37 32.360 -43.337 -56.763 1.00 50.43 H new ATOM 0 HZ2 LYS A 37 31.326 -43.007 -58.069 1.00 50.43 H new ATOM 0 HZ3 LYS A 37 31.041 -44.358 -57.081 1.00 50.43 H new ATOM 539 N SER A 38 34.491 -46.904 -63.042 1.00 1.30 N ATOM 540 CA SER A 38 35.031 -48.256 -63.114 1.00 62.22 C ATOM 541 C SER A 38 36.525 -48.262 -62.805 1.00 43.21 C ATOM 542 O SER A 38 37.017 -49.119 -62.071 1.00 74.51 O ATOM 543 CB SER A 38 34.784 -48.854 -64.501 1.00 15.43 C ATOM 544 OG SER A 38 33.419 -49.196 -64.672 1.00 62.02 O ATOM 0 H SER A 38 34.157 -46.535 -63.933 1.00 1.30 H new ATOM 0 HA SER A 38 34.520 -48.864 -62.367 1.00 62.22 H new ATOM 0 HB2 SER A 38 35.082 -48.139 -65.267 1.00 15.43 H new ATOM 0 HB3 SER A 38 35.404 -49.741 -64.634 1.00 15.43 H new ATOM 0 HG SER A 38 33.270 -50.113 -64.361 1.00 62.02 H new ATOM 550 N LYS A 39 37.244 -47.298 -63.371 1.00 15.31 N ATOM 551 CA LYS A 39 38.682 -47.188 -63.157 1.00 34.34 C ATOM 552 C LYS A 39 38.996 -46.954 -61.682 1.00 72.05 C ATOM 553 O LYS A 39 39.991 -47.459 -61.162 1.00 14.34 O ATOM 554 CB LYS A 39 39.258 -46.048 -63.999 1.00 63.43 C ATOM 555 CG LYS A 39 39.612 -44.813 -63.190 1.00 44.31 C ATOM 556 CD LYS A 39 40.095 -43.681 -64.082 1.00 64.52 C ATOM 557 CE LYS A 39 40.631 -42.516 -63.264 1.00 73.31 C ATOM 558 NZ LYS A 39 41.583 -41.680 -64.047 1.00 33.24 N ATOM 0 H LYS A 39 36.853 -46.581 -63.982 1.00 15.31 H new ATOM 0 HA LYS A 39 39.143 -48.127 -63.464 1.00 34.34 H new ATOM 0 HB2 LYS A 39 40.151 -46.403 -64.514 1.00 63.43 H new ATOM 0 HB3 LYS A 39 38.535 -45.774 -64.767 1.00 63.43 H new ATOM 0 HG2 LYS A 39 38.740 -44.485 -62.625 1.00 44.31 H new ATOM 0 HG3 LYS A 39 40.387 -45.062 -62.465 1.00 44.31 H new ATOM 0 HD2 LYS A 39 40.876 -44.049 -64.748 1.00 64.52 H new ATOM 0 HD3 LYS A 39 39.275 -43.337 -64.712 1.00 64.52 H new ATOM 0 HE2 LYS A 39 39.800 -41.898 -62.924 1.00 73.31 H new ATOM 0 HE3 LYS A 39 41.130 -42.897 -62.373 1.00 73.31 H new ATOM 0 HZ1 LYS A 39 41.926 -40.897 -63.455 1.00 33.24 H new ATOM 0 HZ2 LYS A 39 42.389 -42.263 -64.350 1.00 33.24 H new ATOM 0 HZ3 LYS A 39 41.100 -41.295 -64.884 1.00 33.24 H new ATOM 572 N VAL A 40 38.140 -46.186 -61.014 1.00 65.54 N ATOM 573 CA VAL A 40 38.326 -45.888 -59.599 1.00 54.24 C ATOM 574 C VAL A 40 38.270 -47.158 -58.758 1.00 4.22 C ATOM 575 O VAL A 40 39.029 -47.314 -57.802 1.00 2.52 O ATOM 576 CB VAL A 40 37.259 -44.901 -59.090 1.00 13.41 C ATOM 577 CG1 VAL A 40 37.294 -44.812 -57.572 1.00 24.32 C ATOM 578 CG2 VAL A 40 37.460 -43.529 -59.717 1.00 34.32 C ATOM 0 H VAL A 40 37.312 -45.760 -61.430 1.00 65.54 H new ATOM 0 HA VAL A 40 39.311 -45.432 -59.498 1.00 54.24 H new ATOM 0 HB VAL A 40 36.277 -45.271 -59.386 1.00 13.41 H new ATOM 0 HG11 VAL A 40 36.533 -44.110 -57.231 1.00 24.32 H new ATOM 0 HG12 VAL A 40 37.097 -45.796 -57.145 1.00 24.32 H new ATOM 0 HG13 VAL A 40 38.277 -44.467 -57.250 1.00 24.32 H new ATOM 0 HG21 VAL A 40 36.697 -42.844 -59.346 1.00 34.32 H new ATOM 0 HG22 VAL A 40 38.447 -43.150 -59.454 1.00 34.32 H new ATOM 0 HG23 VAL A 40 37.380 -43.609 -60.801 1.00 34.32 H new ATOM 588 N GLU A 41 37.367 -48.063 -59.121 1.00 62.11 N ATOM 589 CA GLU A 41 37.213 -49.320 -58.398 1.00 62.23 C ATOM 590 C GLU A 41 38.495 -50.145 -58.463 1.00 23.35 C ATOM 591 O GLU A 41 38.841 -50.850 -57.514 1.00 52.44 O ATOM 592 CB GLU A 41 36.046 -50.125 -58.974 1.00 22.33 C ATOM 593 CG GLU A 41 36.125 -51.612 -58.671 1.00 71.33 C ATOM 594 CD GLU A 41 36.098 -51.907 -57.184 1.00 63.41 C ATOM 595 OE1 GLU A 41 35.529 -51.092 -56.428 1.00 60.23 O ATOM 596 OE2 GLU A 41 36.646 -52.952 -56.776 1.00 65.41 O ATOM 0 H GLU A 41 36.731 -47.950 -59.911 1.00 62.11 H new ATOM 0 HA GLU A 41 37.004 -49.086 -57.354 1.00 62.23 H new ATOM 0 HB2 GLU A 41 35.111 -49.731 -58.575 1.00 22.33 H new ATOM 0 HB3 GLU A 41 36.016 -49.984 -60.054 1.00 22.33 H new ATOM 0 HG2 GLU A 41 35.291 -52.122 -59.154 1.00 71.33 H new ATOM 0 HG3 GLU A 41 37.040 -52.019 -59.102 1.00 71.33 H new ATOM 603 N ALA A 42 39.196 -50.053 -59.588 1.00 52.41 N ATOM 604 CA ALA A 42 40.440 -50.788 -59.776 1.00 71.54 C ATOM 605 C ALA A 42 41.604 -50.085 -59.087 1.00 13.13 C ATOM 606 O ALA A 42 42.636 -50.696 -58.812 1.00 41.15 O ATOM 607 CB ALA A 42 40.730 -50.963 -61.260 1.00 24.13 C ATOM 0 H ALA A 42 38.923 -49.476 -60.384 1.00 52.41 H new ATOM 0 HA ALA A 42 40.324 -51.771 -59.321 1.00 71.54 H new ATOM 0 HB1 ALA A 42 41.662 -51.514 -61.386 1.00 24.13 H new ATOM 0 HB2 ALA A 42 39.915 -51.517 -61.727 1.00 24.13 H new ATOM 0 HB3 ALA A 42 40.820 -49.984 -61.731 1.00 24.13 H new ATOM 613 N ALA A 43 41.430 -48.797 -58.810 1.00 0.33 N ATOM 614 CA ALA A 43 42.466 -48.011 -58.151 1.00 13.42 C ATOM 615 C ALA A 43 42.828 -48.607 -56.795 1.00 10.43 C ATOM 616 O ALA A 43 43.976 -48.523 -56.355 1.00 34.20 O ATOM 617 CB ALA A 43 42.011 -46.567 -57.991 1.00 22.42 C ATOM 0 H ALA A 43 40.582 -48.276 -59.032 1.00 0.33 H new ATOM 0 HA ALA A 43 43.358 -48.032 -58.777 1.00 13.42 H new ATOM 0 HB1 ALA A 43 42.794 -45.991 -57.497 1.00 22.42 H new ATOM 0 HB2 ALA A 43 41.809 -46.138 -58.973 1.00 22.42 H new ATOM 0 HB3 ALA A 43 41.103 -46.536 -57.388 1.00 22.42 H new ATOM 623 N LEU A 44 41.843 -49.207 -56.136 1.00 23.23 N ATOM 624 CA LEU A 44 42.058 -49.817 -54.828 1.00 64.21 C ATOM 625 C LEU A 44 43.198 -50.830 -54.880 1.00 53.04 C ATOM 626 O LEU A 44 43.882 -51.061 -53.884 1.00 21.43 O ATOM 627 CB LEU A 44 40.777 -50.498 -54.344 1.00 61.43 C ATOM 628 CG LEU A 44 39.696 -49.574 -53.782 1.00 44.15 C ATOM 629 CD1 LEU A 44 40.255 -48.726 -52.650 1.00 70.13 C ATOM 630 CD2 LEU A 44 39.126 -48.690 -54.882 1.00 44.12 C ATOM 0 H LEU A 44 40.888 -49.284 -56.485 1.00 23.23 H new ATOM 0 HA LEU A 44 42.330 -49.028 -54.127 1.00 64.21 H new ATOM 0 HB2 LEU A 44 40.351 -51.059 -55.176 1.00 61.43 H new ATOM 0 HB3 LEU A 44 41.043 -51.223 -53.575 1.00 61.43 H new ATOM 0 HG LEU A 44 38.889 -50.189 -53.383 1.00 44.15 H new ATOM 0 HD11 LEU A 44 39.472 -48.075 -52.262 1.00 70.13 H new ATOM 0 HD12 LEU A 44 40.615 -49.376 -51.852 1.00 70.13 H new ATOM 0 HD13 LEU A 44 41.080 -48.119 -53.023 1.00 70.13 H new ATOM 0 HD21 LEU A 44 38.358 -48.039 -54.464 1.00 44.12 H new ATOM 0 HD22 LEU A 44 39.923 -48.082 -55.310 1.00 44.12 H new ATOM 0 HD23 LEU A 44 38.688 -49.315 -55.660 1.00 44.12 H new ATOM 642 N SER A 45 43.397 -51.429 -56.050 1.00 34.40 N ATOM 643 CA SER A 45 44.452 -52.419 -56.232 1.00 43.32 C ATOM 644 C SER A 45 45.782 -51.742 -56.552 1.00 53.13 C ATOM 645 O SER A 45 45.845 -50.547 -56.841 1.00 44.25 O ATOM 646 CB SER A 45 44.080 -53.392 -57.352 1.00 21.40 C ATOM 647 OG SER A 45 43.776 -54.675 -56.832 1.00 60.22 O ATOM 0 H SER A 45 42.842 -51.246 -56.886 1.00 34.40 H new ATOM 0 HA SER A 45 44.561 -52.974 -55.300 1.00 43.32 H new ATOM 0 HB2 SER A 45 43.222 -53.007 -57.903 1.00 21.40 H new ATOM 0 HB3 SER A 45 44.905 -53.469 -58.060 1.00 21.40 H new ATOM 0 HG SER A 45 43.540 -55.278 -57.567 1.00 60.22 H new ATOM 653 N PRO A 46 46.870 -52.524 -56.500 1.00 4.43 N ATOM 654 CA PRO A 46 48.219 -52.023 -56.781 1.00 51.42 C ATOM 655 C PRO A 46 48.415 -51.682 -58.254 1.00 52.54 C ATOM 656 O PRO A 46 49.460 -51.163 -58.649 1.00 53.23 O ATOM 657 CB PRO A 46 49.123 -53.191 -56.378 1.00 15.40 C ATOM 658 CG PRO A 46 48.262 -54.399 -56.513 1.00 22.30 C ATOM 659 CD PRO A 46 46.869 -53.957 -56.162 1.00 14.11 C ATOM 0 HA PRO A 46 48.430 -51.098 -56.244 1.00 51.42 H new ATOM 0 HB2 PRO A 46 49.999 -53.255 -57.023 1.00 15.40 H new ATOM 0 HB3 PRO A 46 49.487 -53.076 -55.357 1.00 15.40 H new ATOM 0 HG2 PRO A 46 48.302 -54.795 -57.528 1.00 22.30 H new ATOM 0 HG3 PRO A 46 48.598 -55.194 -55.847 1.00 22.30 H new ATOM 0 HD2 PRO A 46 46.118 -54.504 -56.733 1.00 14.11 H new ATOM 0 HD3 PRO A 46 46.649 -54.121 -55.107 1.00 14.11 H new ATOM 667 N THR A 47 47.403 -51.976 -59.065 1.00 11.50 N ATOM 668 CA THR A 47 47.464 -51.701 -60.495 1.00 2.41 C ATOM 669 C THR A 47 47.180 -50.231 -60.785 1.00 75.40 C ATOM 670 O THR A 47 46.897 -49.452 -59.875 1.00 1.24 O ATOM 671 CB THR A 47 46.462 -52.570 -61.278 1.00 23.24 C ATOM 672 OG1 THR A 47 46.661 -52.400 -62.685 1.00 50.34 O ATOM 673 CG2 THR A 47 45.031 -52.206 -60.915 1.00 14.04 C ATOM 0 H THR A 47 46.531 -52.405 -58.755 1.00 11.50 H new ATOM 0 HA THR A 47 48.476 -51.944 -60.820 1.00 2.41 H new ATOM 0 HB THR A 47 46.633 -53.613 -61.011 1.00 23.24 H new ATOM 0 HG1 THR A 47 47.591 -52.143 -62.855 1.00 50.34 H new ATOM 0 HG21 THR A 47 44.342 -52.833 -61.480 1.00 14.04 H new ATOM 0 HG22 THR A 47 44.875 -52.365 -59.848 1.00 14.04 H new ATOM 0 HG23 THR A 47 44.850 -51.159 -61.156 1.00 14.04 H new ATOM 681 N HIS A 48 47.255 -49.859 -62.059 1.00 32.11 N ATOM 682 CA HIS A 48 47.004 -48.482 -62.469 1.00 74.10 C ATOM 683 C HIS A 48 46.003 -48.432 -63.620 1.00 12.14 C ATOM 684 O HIS A 48 46.108 -49.194 -64.581 1.00 11.01 O ATOM 685 CB HIS A 48 48.310 -47.805 -62.884 1.00 50.21 C ATOM 686 CG HIS A 48 48.119 -46.432 -63.452 1.00 70.33 C ATOM 687 ND1 HIS A 48 47.616 -45.378 -62.720 1.00 3.23 N ATOM 688 CD2 HIS A 48 48.368 -45.944 -64.690 1.00 0.12 C ATOM 689 CE1 HIS A 48 47.563 -44.301 -63.482 1.00 52.55 C ATOM 690 NE2 HIS A 48 48.014 -44.617 -64.683 1.00 32.11 N ATOM 0 H HIS A 48 47.487 -50.491 -62.825 1.00 32.11 H new ATOM 0 HA HIS A 48 46.581 -47.947 -61.619 1.00 74.10 H new ATOM 0 HB2 HIS A 48 48.968 -47.742 -62.018 1.00 50.21 H new ATOM 0 HB3 HIS A 48 48.814 -48.428 -63.623 1.00 50.21 H new ATOM 0 HD2 HIS A 48 48.770 -46.495 -65.527 1.00 0.12 H new ATOM 0 HE1 HIS A 48 47.211 -43.327 -63.176 1.00 52.55 H new ATOM 0 HE2 HIS A 48 48.087 -43.979 -65.476 1.00 32.11 H new ATOM 698 N PHE A 49 45.032 -47.530 -63.514 1.00 62.33 N ATOM 699 CA PHE A 49 44.011 -47.382 -64.545 1.00 64.01 C ATOM 700 C PHE A 49 43.926 -45.935 -65.021 1.00 53.14 C ATOM 701 O PHE A 49 43.761 -45.014 -64.221 1.00 31.11 O ATOM 702 CB PHE A 49 42.651 -47.838 -64.014 1.00 54.44 C ATOM 703 CG PHE A 49 42.421 -49.316 -64.144 1.00 21.30 C ATOM 704 CD1 PHE A 49 43.256 -50.219 -63.505 1.00 13.13 C ATOM 705 CD2 PHE A 49 41.371 -49.804 -64.905 1.00 14.34 C ATOM 706 CE1 PHE A 49 43.047 -51.580 -63.623 1.00 41.01 C ATOM 707 CE2 PHE A 49 41.157 -51.164 -65.026 1.00 52.12 C ATOM 708 CZ PHE A 49 41.996 -52.053 -64.384 1.00 33.13 C ATOM 0 H PHE A 49 44.931 -46.891 -62.725 1.00 62.33 H new ATOM 0 HA PHE A 49 44.290 -48.009 -65.392 1.00 64.01 H new ATOM 0 HB2 PHE A 49 42.567 -47.556 -62.964 1.00 54.44 H new ATOM 0 HB3 PHE A 49 41.864 -47.308 -64.550 1.00 54.44 H new ATOM 0 HD1 PHE A 49 44.079 -49.855 -62.908 1.00 13.13 H new ATOM 0 HD2 PHE A 49 40.712 -49.113 -65.410 1.00 14.34 H new ATOM 0 HE1 PHE A 49 43.705 -52.273 -63.120 1.00 41.01 H new ATOM 0 HE2 PHE A 49 40.334 -51.531 -65.622 1.00 52.12 H new ATOM 0 HZ PHE A 49 41.831 -53.116 -64.477 1.00 33.13 H new ATOM 718 N LYS A 50 44.039 -45.742 -66.331 1.00 43.21 N ATOM 719 CA LYS A 50 43.974 -44.408 -66.917 1.00 22.12 C ATOM 720 C LYS A 50 42.860 -44.324 -67.955 1.00 40.41 C ATOM 721 O LYS A 50 42.829 -45.099 -68.912 1.00 34.35 O ATOM 722 CB LYS A 50 45.314 -44.046 -67.561 1.00 4.54 C ATOM 723 CG LYS A 50 45.811 -45.080 -68.555 1.00 70.25 C ATOM 724 CD LYS A 50 47.027 -44.582 -69.318 1.00 2.00 C ATOM 725 CE LYS A 50 48.171 -44.235 -68.377 1.00 61.14 C ATOM 726 NZ LYS A 50 49.482 -44.209 -69.084 1.00 33.30 N ATOM 0 H LYS A 50 44.176 -46.493 -67.007 1.00 43.21 H new ATOM 0 HA LYS A 50 43.758 -43.698 -66.119 1.00 22.12 H new ATOM 0 HB2 LYS A 50 45.216 -43.086 -68.067 1.00 4.54 H new ATOM 0 HB3 LYS A 50 46.061 -43.919 -66.778 1.00 4.54 H new ATOM 0 HG2 LYS A 50 46.063 -46.000 -68.028 1.00 70.25 H new ATOM 0 HG3 LYS A 50 45.014 -45.323 -69.258 1.00 70.25 H new ATOM 0 HD2 LYS A 50 47.354 -45.346 -70.023 1.00 2.00 H new ATOM 0 HD3 LYS A 50 46.756 -43.703 -69.903 1.00 2.00 H new ATOM 0 HE2 LYS A 50 47.985 -43.262 -67.922 1.00 61.14 H new ATOM 0 HE3 LYS A 50 48.209 -44.964 -67.567 1.00 61.14 H new ATOM 0 HZ1 LYS A 50 50.236 -43.969 -68.409 1.00 33.30 H new ATOM 0 HZ2 LYS A 50 49.672 -45.144 -69.497 1.00 33.30 H new ATOM 0 HZ3 LYS A 50 49.454 -43.496 -69.840 1.00 33.30 H new ATOM 740 N LEU A 51 41.948 -43.377 -67.762 1.00 23.00 N ATOM 741 CA LEU A 51 40.833 -43.190 -68.683 1.00 74.01 C ATOM 742 C LEU A 51 40.774 -41.750 -69.182 1.00 43.15 C ATOM 743 O LEU A 51 40.751 -40.808 -68.389 1.00 75.24 O ATOM 744 CB LEU A 51 39.514 -43.559 -68.000 1.00 44.22 C ATOM 745 CG LEU A 51 38.271 -43.544 -68.889 1.00 54.15 C ATOM 746 CD1 LEU A 51 37.632 -44.923 -68.937 1.00 61.34 C ATOM 747 CD2 LEU A 51 37.272 -42.509 -68.392 1.00 50.13 C ATOM 0 H LEU A 51 41.959 -42.727 -66.976 1.00 23.00 H new ATOM 0 HA LEU A 51 40.988 -43.846 -69.540 1.00 74.01 H new ATOM 0 HB2 LEU A 51 39.617 -44.555 -67.570 1.00 44.22 H new ATOM 0 HB3 LEU A 51 39.352 -42.870 -67.171 1.00 44.22 H new ATOM 0 HG LEU A 51 38.575 -43.271 -69.900 1.00 54.15 H new ATOM 0 HD11 LEU A 51 36.749 -44.893 -69.575 1.00 61.34 H new ATOM 0 HD12 LEU A 51 38.346 -45.641 -69.340 1.00 61.34 H new ATOM 0 HD13 LEU A 51 37.343 -45.225 -67.930 1.00 61.34 H new ATOM 0 HD21 LEU A 51 36.393 -42.512 -69.037 1.00 50.13 H new ATOM 0 HD22 LEU A 51 36.974 -42.751 -67.372 1.00 50.13 H new ATOM 0 HD23 LEU A 51 37.732 -41.521 -68.411 1.00 50.13 H new ATOM 759 N ILE A 52 40.749 -41.587 -70.501 1.00 3.01 N ATOM 760 CA ILE A 52 40.690 -40.262 -71.105 1.00 41.13 C ATOM 761 C ILE A 52 39.474 -40.126 -72.015 1.00 34.43 C ATOM 762 O ILE A 52 39.377 -40.795 -73.042 1.00 73.35 O ATOM 763 CB ILE A 52 41.962 -39.957 -71.919 1.00 73.00 C ATOM 764 CG1 ILE A 52 42.257 -41.100 -72.893 1.00 14.22 C ATOM 765 CG2 ILE A 52 43.144 -39.728 -70.989 1.00 34.22 C ATOM 766 CD1 ILE A 52 42.387 -40.650 -74.331 1.00 52.41 C ATOM 0 H ILE A 52 40.769 -42.356 -71.171 1.00 3.01 H new ATOM 0 HA ILE A 52 40.611 -39.546 -70.287 1.00 41.13 H new ATOM 0 HB ILE A 52 41.797 -39.047 -72.496 1.00 73.00 H new ATOM 0 HG12 ILE A 52 43.180 -41.595 -72.591 1.00 14.22 H new ATOM 0 HG13 ILE A 52 41.460 -41.841 -72.823 1.00 14.22 H new ATOM 0 HG21 ILE A 52 44.035 -39.514 -71.579 1.00 34.22 H new ATOM 0 HG22 ILE A 52 42.932 -38.884 -70.332 1.00 34.22 H new ATOM 0 HG23 ILE A 52 43.313 -40.622 -70.388 1.00 34.22 H new ATOM 0 HD11 ILE A 52 42.596 -41.512 -74.965 1.00 52.41 H new ATOM 0 HD12 ILE A 52 41.456 -40.181 -74.651 1.00 52.41 H new ATOM 0 HD13 ILE A 52 43.203 -39.932 -74.415 1.00 52.41 H new ATOM 778 N ASN A 53 38.548 -39.254 -71.629 1.00 73.21 N ATOM 779 CA ASN A 53 37.337 -39.029 -72.411 1.00 20.25 C ATOM 780 C ASN A 53 37.355 -37.647 -73.057 1.00 24.24 C ATOM 781 O ASN A 53 37.521 -36.635 -72.376 1.00 14.31 O ATOM 782 CB ASN A 53 36.099 -39.174 -71.524 1.00 14.52 C ATOM 783 CG ASN A 53 35.358 -37.862 -71.348 1.00 35.23 C ATOM 784 OD1 ASN A 53 35.541 -37.161 -70.352 1.00 63.34 O ATOM 785 ND2 ASN A 53 34.514 -37.525 -72.316 1.00 42.34 N ATOM 0 H ASN A 53 38.613 -38.692 -70.780 1.00 73.21 H new ATOM 0 HA ASN A 53 37.300 -39.779 -73.201 1.00 20.25 H new ATOM 0 HB2 ASN A 53 35.427 -39.912 -71.961 1.00 14.52 H new ATOM 0 HB3 ASN A 53 36.398 -39.554 -70.547 1.00 14.52 H new ATOM 0 HD21 ASN A 53 33.986 -36.655 -72.252 1.00 42.34 H new ATOM 0 HD22 ASN A 53 34.394 -38.136 -73.124 1.00 42.34 H new ATOM 792 N ASP A 54 37.184 -37.614 -74.373 1.00 43.45 N ATOM 793 CA ASP A 54 37.179 -36.356 -75.112 1.00 63.20 C ATOM 794 C ASP A 54 35.772 -36.013 -75.591 1.00 2.32 C ATOM 795 O ASP A 54 35.332 -34.868 -75.486 1.00 3.12 O ATOM 796 CB ASP A 54 38.132 -36.437 -76.306 1.00 20.52 C ATOM 797 CG ASP A 54 39.375 -35.590 -76.114 1.00 35.33 C ATOM 798 OD1 ASP A 54 40.307 -36.054 -75.425 1.00 45.24 O ATOM 799 OD2 ASP A 54 39.414 -34.463 -76.651 1.00 34.41 O ATOM 0 H ASP A 54 37.047 -38.443 -74.951 1.00 43.45 H new ATOM 0 HA ASP A 54 37.517 -35.567 -74.440 1.00 63.20 H new ATOM 0 HB2 ASP A 54 38.424 -37.475 -76.464 1.00 20.52 H new ATOM 0 HB3 ASP A 54 37.610 -36.112 -77.206 1.00 20.52 H new ATOM 804 N SER A 55 35.072 -37.012 -76.118 1.00 14.32 N ATOM 805 CA SER A 55 33.716 -36.814 -76.617 1.00 71.45 C ATOM 806 C SER A 55 33.658 -35.629 -77.577 1.00 33.52 C ATOM 807 O SER A 55 34.689 -35.100 -77.991 1.00 64.25 O ATOM 808 CB SER A 55 32.748 -36.591 -75.454 1.00 22.02 C ATOM 809 OG SER A 55 31.440 -37.022 -75.788 1.00 43.12 O ATOM 0 H SER A 55 35.421 -37.966 -76.211 1.00 14.32 H new ATOM 0 HA SER A 55 33.420 -37.713 -77.158 1.00 71.45 H new ATOM 0 HB2 SER A 55 33.099 -37.133 -74.576 1.00 22.02 H new ATOM 0 HB3 SER A 55 32.729 -35.534 -75.190 1.00 22.02 H new ATOM 0 HG SER A 55 30.841 -36.870 -75.027 1.00 43.12 H new ATOM 815 N HIS A 56 32.443 -35.218 -77.926 1.00 11.11 N ATOM 816 CA HIS A 56 32.248 -34.095 -78.836 1.00 44.12 C ATOM 817 C HIS A 56 32.092 -32.789 -78.063 1.00 24.25 C ATOM 818 O HIS A 56 32.492 -31.724 -78.534 1.00 22.23 O ATOM 819 CB HIS A 56 31.020 -34.330 -79.715 1.00 73.51 C ATOM 820 CG HIS A 56 30.684 -33.169 -80.599 1.00 64.15 C ATOM 821 ND1 HIS A 56 31.610 -32.552 -81.415 1.00 34.22 N ATOM 822 CD2 HIS A 56 29.516 -32.513 -80.795 1.00 25.42 C ATOM 823 CE1 HIS A 56 31.026 -31.566 -82.072 1.00 72.10 C ATOM 824 NE2 HIS A 56 29.755 -31.522 -81.714 1.00 42.42 N ATOM 0 H HIS A 56 31.579 -35.646 -77.593 1.00 11.11 H new ATOM 0 HA HIS A 56 33.131 -34.018 -79.471 1.00 44.12 H new ATOM 0 HB2 HIS A 56 31.190 -35.210 -80.335 1.00 73.51 H new ATOM 0 HB3 HIS A 56 30.164 -34.550 -79.077 1.00 73.51 H new ATOM 0 HD2 HIS A 56 28.572 -32.729 -80.317 1.00 25.42 H new ATOM 0 HE1 HIS A 56 31.506 -30.908 -82.781 1.00 72.10 H new ATOM 0 HE2 HIS A 56 29.063 -30.859 -82.064 1.00 42.42 H new ATOM 1069 N THR A 75 38.016 -42.006 -82.636 1.00 75.21 N ATOM 1070 CA THR A 75 38.010 -42.425 -81.240 1.00 40.21 C ATOM 1071 C THR A 75 38.516 -41.311 -80.330 1.00 71.32 C ATOM 1072 O THR A 75 39.599 -40.766 -80.543 1.00 25.12 O ATOM 1073 CB THR A 75 38.877 -43.680 -81.027 1.00 33.23 C ATOM 1074 OG1 THR A 75 40.225 -43.300 -80.731 1.00 21.15 O ATOM 1075 CG2 THR A 75 38.855 -44.569 -82.261 1.00 35.31 C ATOM 0 HA THR A 75 36.977 -42.659 -80.984 1.00 40.21 H new ATOM 0 HB THR A 75 38.465 -44.240 -80.188 1.00 33.23 H new ATOM 0 HG1 THR A 75 40.358 -42.357 -80.964 1.00 21.15 H new ATOM 0 HG21 THR A 75 39.474 -45.449 -82.087 1.00 35.31 H new ATOM 0 HG22 THR A 75 37.831 -44.881 -82.466 1.00 35.31 H new ATOM 0 HG23 THR A 75 39.244 -44.015 -83.115 1.00 35.31 H new ATOM 1083 N HIS A 76 37.725 -40.978 -79.315 1.00 3.11 N ATOM 1084 CA HIS A 76 38.094 -39.929 -78.371 1.00 25.12 C ATOM 1085 C HIS A 76 38.229 -40.492 -76.959 1.00 50.30 C ATOM 1086 O HIS A 76 38.704 -39.810 -76.051 1.00 10.23 O ATOM 1087 CB HIS A 76 37.055 -38.808 -78.389 1.00 34.42 C ATOM 1088 CG HIS A 76 37.449 -37.639 -79.238 1.00 31.12 C ATOM 1089 ND1 HIS A 76 38.761 -37.268 -79.445 1.00 74.03 N ATOM 1090 CD2 HIS A 76 36.695 -36.757 -79.935 1.00 61.32 C ATOM 1091 CE1 HIS A 76 38.797 -36.207 -80.232 1.00 74.51 C ATOM 1092 NE2 HIS A 76 37.556 -35.878 -80.544 1.00 42.20 N ATOM 0 H HIS A 76 36.825 -41.419 -79.125 1.00 3.11 H new ATOM 0 HA HIS A 76 39.059 -39.524 -78.675 1.00 25.12 H new ATOM 0 HB2 HIS A 76 36.108 -39.207 -78.752 1.00 34.42 H new ATOM 0 HB3 HIS A 76 36.886 -38.465 -77.368 1.00 34.42 H new ATOM 0 HD2 HIS A 76 35.617 -36.747 -80.000 1.00 61.32 H new ATOM 0 HE1 HIS A 76 39.689 -35.696 -80.564 1.00 74.51 H new ATOM 0 HE2 HIS A 76 37.282 -35.097 -81.141 1.00 42.20 H new ATOM 1100 N PHE A 77 37.807 -41.739 -76.782 1.00 30.33 N ATOM 1101 CA PHE A 77 37.879 -42.393 -75.480 1.00 54.11 C ATOM 1102 C PHE A 77 38.887 -43.538 -75.501 1.00 72.14 C ATOM 1103 O PHE A 77 38.917 -44.336 -76.439 1.00 13.42 O ATOM 1104 CB PHE A 77 36.501 -42.919 -75.073 1.00 74.14 C ATOM 1105 CG PHE A 77 35.434 -41.862 -75.065 1.00 52.13 C ATOM 1106 CD1 PHE A 77 35.010 -41.278 -76.248 1.00 51.31 C ATOM 1107 CD2 PHE A 77 34.854 -41.453 -73.875 1.00 44.31 C ATOM 1108 CE1 PHE A 77 34.029 -40.304 -76.243 1.00 71.22 C ATOM 1109 CE2 PHE A 77 33.873 -40.480 -73.864 1.00 54.20 C ATOM 1110 CZ PHE A 77 33.459 -39.906 -75.050 1.00 13.41 C ATOM 0 H PHE A 77 37.412 -42.317 -77.523 1.00 30.33 H new ATOM 0 HA PHE A 77 38.209 -41.655 -74.749 1.00 54.11 H new ATOM 0 HB2 PHE A 77 36.208 -43.715 -75.758 1.00 74.14 H new ATOM 0 HB3 PHE A 77 36.569 -43.363 -74.080 1.00 74.14 H new ATOM 0 HD1 PHE A 77 35.451 -41.587 -77.184 1.00 51.31 H new ATOM 0 HD2 PHE A 77 35.172 -41.900 -72.945 1.00 44.31 H new ATOM 0 HE1 PHE A 77 33.709 -39.855 -77.171 1.00 71.22 H new ATOM 0 HE2 PHE A 77 33.431 -40.169 -72.929 1.00 54.20 H new ATOM 0 HZ PHE A 77 32.691 -39.147 -75.044 1.00 13.41 H new ATOM 1120 N ARG A 78 39.711 -43.612 -74.462 1.00 23.03 N ATOM 1121 CA ARG A 78 40.722 -44.658 -74.361 1.00 42.31 C ATOM 1122 C ARG A 78 40.982 -45.024 -72.903 1.00 4.12 C ATOM 1123 O ARG A 78 41.253 -44.155 -72.072 1.00 73.51 O ATOM 1124 CB ARG A 78 42.024 -44.204 -75.024 1.00 50.40 C ATOM 1125 CG ARG A 78 43.249 -44.375 -74.141 1.00 62.11 C ATOM 1126 CD ARG A 78 44.530 -44.063 -74.899 1.00 1.00 C ATOM 1127 NE ARG A 78 45.048 -45.233 -75.604 1.00 11.43 N ATOM 1128 CZ ARG A 78 46.242 -45.272 -76.184 1.00 40.34 C ATOM 1129 NH1 ARG A 78 47.037 -44.212 -76.144 1.00 45.31 N ATOM 1130 NH2 ARG A 78 46.643 -46.373 -76.807 1.00 13.03 N ATOM 0 H ARG A 78 39.699 -42.960 -73.678 1.00 23.03 H new ATOM 0 HA ARG A 78 40.348 -45.541 -74.878 1.00 42.31 H new ATOM 0 HB2 ARG A 78 42.169 -44.769 -75.945 1.00 50.40 H new ATOM 0 HB3 ARG A 78 41.932 -43.155 -75.304 1.00 50.40 H new ATOM 0 HG2 ARG A 78 43.169 -43.719 -73.274 1.00 62.11 H new ATOM 0 HG3 ARG A 78 43.288 -45.397 -73.764 1.00 62.11 H new ATOM 0 HD2 ARG A 78 44.342 -43.263 -75.615 1.00 1.00 H new ATOM 0 HD3 ARG A 78 45.284 -43.697 -74.202 1.00 1.00 H new ATOM 0 HE ARG A 78 44.461 -46.065 -75.653 1.00 11.43 H new ATOM 0 HH11 ARG A 78 46.732 -43.364 -75.667 1.00 45.31 H new ATOM 0 HH12 ARG A 78 47.954 -44.245 -76.590 1.00 45.31 H new ATOM 0 HH21 ARG A 78 46.034 -47.190 -76.841 1.00 13.03 H new ATOM 0 HH22 ARG A 78 47.560 -46.402 -77.252 1.00 13.03 H new ATOM 1144 N LEU A 79 40.898 -46.314 -72.598 1.00 65.23 N ATOM 1145 CA LEU A 79 41.124 -46.796 -71.240 1.00 63.10 C ATOM 1146 C LEU A 79 42.278 -47.793 -71.201 1.00 31.23 C ATOM 1147 O LEU A 79 42.209 -48.861 -71.809 1.00 55.51 O ATOM 1148 CB LEU A 79 39.854 -47.447 -70.691 1.00 14.12 C ATOM 1149 CG LEU A 79 39.904 -47.887 -69.227 1.00 74.24 C ATOM 1150 CD1 LEU A 79 40.626 -49.219 -69.095 1.00 75.10 C ATOM 1151 CD2 LEU A 79 40.580 -46.825 -68.374 1.00 2.44 C ATOM 0 H LEU A 79 40.675 -47.045 -73.273 1.00 65.23 H new ATOM 0 HA LEU A 79 41.385 -45.941 -70.616 1.00 63.10 H new ATOM 0 HB2 LEU A 79 39.029 -46.745 -70.810 1.00 14.12 H new ATOM 0 HB3 LEU A 79 39.622 -48.318 -71.304 1.00 14.12 H new ATOM 0 HG LEU A 79 38.882 -48.014 -68.870 1.00 74.24 H new ATOM 0 HD11 LEU A 79 40.652 -49.516 -68.047 1.00 75.10 H new ATOM 0 HD12 LEU A 79 40.099 -49.977 -69.674 1.00 75.10 H new ATOM 0 HD13 LEU A 79 41.645 -49.119 -69.469 1.00 75.10 H new ATOM 0 HD21 LEU A 79 40.607 -47.155 -67.336 1.00 2.44 H new ATOM 0 HD22 LEU A 79 41.598 -46.666 -68.730 1.00 2.44 H new ATOM 0 HD23 LEU A 79 40.021 -45.892 -68.444 1.00 2.44 H new ATOM 1163 N GLU A 80 43.336 -47.438 -70.479 1.00 43.11 N ATOM 1164 CA GLU A 80 44.504 -48.303 -70.360 1.00 30.12 C ATOM 1165 C GLU A 80 44.758 -48.676 -68.902 1.00 45.40 C ATOM 1166 O GLU A 80 44.731 -47.820 -68.017 1.00 75.30 O ATOM 1167 CB GLU A 80 45.739 -47.614 -70.945 1.00 33.14 C ATOM 1168 CG GLU A 80 47.017 -47.898 -70.174 1.00 32.35 C ATOM 1169 CD GLU A 80 47.424 -49.358 -70.236 1.00 54.22 C ATOM 1170 OE1 GLU A 80 47.289 -49.966 -71.318 1.00 50.14 O ATOM 1171 OE2 GLU A 80 47.877 -49.891 -69.202 1.00 61.51 O ATOM 0 H GLU A 80 43.408 -46.558 -69.968 1.00 43.11 H new ATOM 0 HA GLU A 80 44.307 -49.216 -70.922 1.00 30.12 H new ATOM 0 HB2 GLU A 80 45.869 -47.936 -71.978 1.00 33.14 H new ATOM 0 HB3 GLU A 80 45.569 -46.538 -70.965 1.00 33.14 H new ATOM 0 HG2 GLU A 80 47.823 -47.283 -70.574 1.00 32.35 H new ATOM 0 HG3 GLU A 80 46.881 -47.607 -69.133 1.00 32.35 H new ATOM 1178 N VAL A 81 45.006 -49.959 -68.660 1.00 1.12 N ATOM 1179 CA VAL A 81 45.266 -50.446 -67.310 1.00 41.14 C ATOM 1180 C VAL A 81 46.579 -51.218 -67.248 1.00 62.13 C ATOM 1181 O VAL A 81 46.819 -52.123 -68.048 1.00 61.40 O ATOM 1182 CB VAL A 81 44.126 -51.353 -66.812 1.00 33.14 C ATOM 1183 CG1 VAL A 81 43.194 -51.718 -67.957 1.00 72.21 C ATOM 1184 CG2 VAL A 81 44.689 -52.603 -66.153 1.00 21.12 C ATOM 0 H VAL A 81 45.032 -50.680 -69.381 1.00 1.12 H new ATOM 0 HA VAL A 81 45.332 -49.570 -66.664 1.00 41.14 H new ATOM 0 HB VAL A 81 43.549 -50.805 -66.067 1.00 33.14 H new ATOM 0 HG11 VAL A 81 42.395 -52.359 -67.585 1.00 72.21 H new ATOM 0 HG12 VAL A 81 42.764 -50.810 -68.380 1.00 72.21 H new ATOM 0 HG13 VAL A 81 43.755 -52.247 -68.728 1.00 72.21 H new ATOM 0 HG21 VAL A 81 43.869 -53.233 -65.807 1.00 21.12 H new ATOM 0 HG22 VAL A 81 45.291 -53.155 -66.875 1.00 21.12 H new ATOM 0 HG23 VAL A 81 45.311 -52.318 -65.304 1.00 21.12 H new ATOM 1194 N THR A 82 47.428 -50.855 -66.292 1.00 23.11 N ATOM 1195 CA THR A 82 48.718 -51.513 -66.125 1.00 1.21 C ATOM 1196 C THR A 82 48.830 -52.164 -64.751 1.00 55.20 C ATOM 1197 O THR A 82 48.829 -51.480 -63.728 1.00 3.34 O ATOM 1198 CB THR A 82 49.882 -50.521 -66.306 1.00 43.33 C ATOM 1199 OG1 THR A 82 49.897 -50.022 -67.649 1.00 33.34 O ATOM 1200 CG2 THR A 82 51.214 -51.186 -65.993 1.00 0.13 C ATOM 0 H THR A 82 47.245 -50.109 -65.621 1.00 23.11 H new ATOM 0 HA THR A 82 48.782 -52.282 -66.895 1.00 1.21 H new ATOM 0 HB THR A 82 49.735 -49.693 -65.612 1.00 43.33 H new ATOM 0 HG1 THR A 82 49.075 -50.294 -68.108 1.00 33.34 H new ATOM 0 HG21 THR A 82 52.021 -50.466 -66.128 1.00 0.13 H new ATOM 0 HG22 THR A 82 51.211 -51.539 -64.962 1.00 0.13 H new ATOM 0 HG23 THR A 82 51.366 -52.031 -66.665 1.00 0.13 H new ATOM 1208 N SER A 83 48.925 -53.489 -64.735 1.00 63.44 N ATOM 1209 CA SER A 83 49.034 -54.233 -63.486 1.00 24.21 C ATOM 1210 C SER A 83 50.322 -55.051 -63.451 1.00 50.11 C ATOM 1211 O SER A 83 50.423 -56.098 -64.091 1.00 10.10 O ATOM 1212 CB SER A 83 47.826 -55.155 -63.310 1.00 24.34 C ATOM 1213 OG SER A 83 46.759 -54.765 -64.156 1.00 62.35 O ATOM 0 H SER A 83 48.929 -54.070 -65.573 1.00 63.44 H new ATOM 0 HA SER A 83 49.057 -53.516 -62.666 1.00 24.21 H new ATOM 0 HB2 SER A 83 48.114 -56.183 -63.532 1.00 24.34 H new ATOM 0 HB3 SER A 83 47.497 -55.134 -62.271 1.00 24.34 H new ATOM 0 HG SER A 83 46.441 -53.876 -63.892 1.00 62.35 H new ATOM 1219 N ASP A 84 51.304 -54.565 -62.699 1.00 54.05 N ATOM 1220 CA ASP A 84 52.585 -55.250 -62.579 1.00 63.02 C ATOM 1221 C ASP A 84 53.350 -55.208 -63.899 1.00 11.14 C ATOM 1222 O ASP A 84 54.410 -55.818 -64.032 1.00 43.35 O ATOM 1223 CB ASP A 84 52.374 -56.701 -62.144 1.00 55.03 C ATOM 1224 CG ASP A 84 51.325 -56.832 -61.057 1.00 24.32 C ATOM 1225 OD1 ASP A 84 51.582 -56.369 -59.926 1.00 1.43 O ATOM 1226 OD2 ASP A 84 50.248 -57.398 -61.337 1.00 1.12 O ATOM 0 H ASP A 84 51.237 -53.699 -62.164 1.00 54.05 H new ATOM 0 HA ASP A 84 53.175 -54.734 -61.821 1.00 63.02 H new ATOM 0 HB2 ASP A 84 52.075 -57.296 -63.007 1.00 55.03 H new ATOM 0 HB3 ASP A 84 53.318 -57.111 -61.785 1.00 55.03 H new ATOM 1231 N ALA A 85 52.803 -54.485 -64.871 1.00 3.14 N ATOM 1232 CA ALA A 85 53.434 -54.363 -66.179 1.00 1.41 C ATOM 1233 C ALA A 85 53.958 -55.710 -66.664 1.00 32.10 C ATOM 1234 O ALA A 85 55.155 -55.988 -66.584 1.00 14.33 O ATOM 1235 CB ALA A 85 54.562 -53.343 -66.128 1.00 24.15 C ATOM 0 H ALA A 85 51.925 -53.975 -64.777 1.00 3.14 H new ATOM 0 HA ALA A 85 52.680 -54.020 -66.888 1.00 1.41 H new ATOM 0 HB1 ALA A 85 55.024 -53.262 -67.112 1.00 24.15 H new ATOM 0 HB2 ALA A 85 54.162 -52.373 -65.834 1.00 24.15 H new ATOM 0 HB3 ALA A 85 55.309 -53.663 -65.401 1.00 24.15 H new ATOM 1241 N PHE A 86 53.054 -56.545 -67.167 1.00 1.33 N ATOM 1242 CA PHE A 86 53.425 -57.865 -67.663 1.00 41.44 C ATOM 1243 C PHE A 86 52.220 -58.576 -68.271 1.00 54.43 C ATOM 1244 O PHE A 86 51.688 -59.525 -67.695 1.00 62.12 O ATOM 1245 CB PHE A 86 54.014 -58.711 -66.533 1.00 61.10 C ATOM 1246 CG PHE A 86 54.971 -59.766 -67.010 1.00 44.41 C ATOM 1247 CD1 PHE A 86 54.576 -60.707 -67.947 1.00 13.41 C ATOM 1248 CD2 PHE A 86 56.267 -59.816 -66.521 1.00 71.22 C ATOM 1249 CE1 PHE A 86 55.454 -61.678 -68.388 1.00 62.14 C ATOM 1250 CE2 PHE A 86 57.150 -60.785 -66.959 1.00 71.02 C ATOM 1251 CZ PHE A 86 56.743 -61.718 -67.893 1.00 13.11 C ATOM 0 H PHE A 86 52.060 -56.331 -67.242 1.00 1.33 H new ATOM 0 HA PHE A 86 54.178 -57.735 -68.440 1.00 41.44 H new ATOM 0 HB2 PHE A 86 54.529 -58.056 -65.830 1.00 61.10 H new ATOM 0 HB3 PHE A 86 53.201 -59.189 -65.987 1.00 61.10 H new ATOM 0 HD1 PHE A 86 53.569 -60.681 -68.337 1.00 13.41 H new ATOM 0 HD2 PHE A 86 56.590 -59.090 -65.790 1.00 71.22 H new ATOM 0 HE1 PHE A 86 55.133 -62.405 -69.119 1.00 62.14 H new ATOM 0 HE2 PHE A 86 58.158 -60.813 -66.571 1.00 71.02 H new ATOM 0 HZ PHE A 86 57.431 -62.477 -68.235 1.00 13.11 H new ATOM 1261 N LYS A 87 51.792 -58.109 -69.440 1.00 3.34 N ATOM 1262 CA LYS A 87 50.650 -58.698 -70.128 1.00 63.42 C ATOM 1263 C LYS A 87 50.856 -60.195 -70.339 1.00 53.04 C ATOM 1264 O LYS A 87 51.969 -60.647 -70.604 1.00 73.41 O ATOM 1265 CB LYS A 87 50.429 -58.008 -71.476 1.00 2.00 C ATOM 1266 CG LYS A 87 49.522 -58.784 -72.415 1.00 52.31 C ATOM 1267 CD LYS A 87 50.317 -59.704 -73.325 1.00 64.23 C ATOM 1268 CE LYS A 87 50.412 -59.147 -74.737 1.00 53.43 C ATOM 1269 NZ LYS A 87 51.486 -58.123 -74.859 1.00 0.53 N ATOM 0 H LYS A 87 52.220 -57.324 -69.930 1.00 3.34 H new ATOM 0 HA LYS A 87 49.768 -58.554 -69.504 1.00 63.42 H new ATOM 0 HB2 LYS A 87 50.000 -57.021 -71.303 1.00 2.00 H new ATOM 0 HB3 LYS A 87 51.394 -57.856 -71.959 1.00 2.00 H new ATOM 0 HG2 LYS A 87 48.812 -59.371 -71.833 1.00 52.31 H new ATOM 0 HG3 LYS A 87 48.940 -58.087 -73.019 1.00 52.31 H new ATOM 0 HD2 LYS A 87 51.319 -59.842 -72.919 1.00 64.23 H new ATOM 0 HD3 LYS A 87 49.846 -60.687 -73.352 1.00 64.23 H new ATOM 0 HE2 LYS A 87 50.605 -59.961 -75.436 1.00 53.43 H new ATOM 0 HE3 LYS A 87 49.456 -58.706 -75.018 1.00 53.43 H new ATOM 0 HZ1 LYS A 87 51.518 -57.768 -75.836 1.00 0.53 H new ATOM 0 HZ2 LYS A 87 51.289 -57.334 -74.211 1.00 0.53 H new ATOM 0 HZ3 LYS A 87 52.402 -58.550 -74.616 1.00 0.53 H new ATOM 1283 N GLY A 88 49.774 -60.959 -70.222 1.00 14.12 N ATOM 1284 CA GLY A 88 49.857 -62.396 -70.404 1.00 71.14 C ATOM 1285 C GLY A 88 48.493 -63.043 -70.542 1.00 30.13 C ATOM 1286 O GLY A 88 48.322 -63.993 -71.308 1.00 0.54 O ATOM 0 H GLY A 88 48.841 -60.608 -70.004 1.00 14.12 H new ATOM 0 HA2 GLY A 88 50.450 -62.613 -71.292 1.00 71.14 H new ATOM 0 HA3 GLY A 88 50.381 -62.837 -69.556 1.00 71.14 H new ATOM 1290 N LEU A 89 47.519 -62.531 -69.797 1.00 43.44 N ATOM 1291 CA LEU A 89 46.163 -63.066 -69.838 1.00 12.41 C ATOM 1292 C LEU A 89 45.252 -62.178 -70.680 1.00 43.13 C ATOM 1293 O LEU A 89 45.557 -61.009 -70.923 1.00 34.42 O ATOM 1294 CB LEU A 89 45.601 -63.193 -68.421 1.00 0.22 C ATOM 1295 CG LEU A 89 45.548 -61.903 -67.601 1.00 44.04 C ATOM 1296 CD1 LEU A 89 44.295 -61.109 -67.936 1.00 1.04 C ATOM 1297 CD2 LEU A 89 45.604 -62.214 -66.113 1.00 34.22 C ATOM 0 H LEU A 89 47.643 -61.746 -69.158 1.00 43.44 H new ATOM 0 HA LEU A 89 46.203 -64.054 -70.297 1.00 12.41 H new ATOM 0 HB2 LEU A 89 44.592 -63.599 -68.487 1.00 0.22 H new ATOM 0 HB3 LEU A 89 46.203 -63.921 -67.877 1.00 0.22 H new ATOM 0 HG LEU A 89 46.417 -61.296 -67.857 1.00 44.04 H new ATOM 0 HD11 LEU A 89 44.274 -60.195 -67.343 1.00 1.04 H new ATOM 0 HD12 LEU A 89 44.298 -60.854 -68.996 1.00 1.04 H new ATOM 0 HD13 LEU A 89 43.413 -61.708 -67.710 1.00 1.04 H new ATOM 0 HD21 LEU A 89 45.565 -61.284 -65.545 1.00 34.22 H new ATOM 0 HD22 LEU A 89 44.755 -62.841 -65.840 1.00 34.22 H new ATOM 0 HD23 LEU A 89 46.532 -62.739 -65.886 1.00 34.22 H new ATOM 1309 N THR A 90 44.131 -62.739 -71.123 1.00 65.41 N ATOM 1310 CA THR A 90 43.176 -61.999 -71.937 1.00 73.32 C ATOM 1311 C THR A 90 42.925 -60.609 -71.364 1.00 21.43 C ATOM 1312 O THR A 90 42.307 -60.464 -70.308 1.00 22.30 O ATOM 1313 CB THR A 90 41.833 -62.747 -72.047 1.00 4.14 C ATOM 1314 OG1 THR A 90 41.169 -62.749 -70.778 1.00 63.40 O ATOM 1315 CG2 THR A 90 42.048 -64.178 -72.515 1.00 73.15 C ATOM 0 H THR A 90 43.863 -63.704 -70.931 1.00 65.41 H new ATOM 0 HA THR A 90 43.614 -61.905 -72.931 1.00 73.32 H new ATOM 0 HB THR A 90 41.213 -62.231 -72.780 1.00 4.14 H new ATOM 0 HG1 THR A 90 41.579 -62.077 -70.193 1.00 63.40 H new ATOM 0 HG21 THR A 90 41.086 -64.686 -72.585 1.00 73.15 H new ATOM 0 HG22 THR A 90 42.528 -64.173 -73.494 1.00 73.15 H new ATOM 0 HG23 THR A 90 42.684 -64.702 -71.802 1.00 73.15 H new ATOM 1323 N LEU A 91 43.407 -59.589 -72.065 1.00 61.40 N ATOM 1324 CA LEU A 91 43.234 -58.209 -71.626 1.00 24.15 C ATOM 1325 C LEU A 91 41.764 -57.902 -71.360 1.00 21.23 C ATOM 1326 O LEU A 91 41.436 -57.073 -70.511 1.00 54.12 O ATOM 1327 CB LEU A 91 43.786 -57.245 -72.677 1.00 63.44 C ATOM 1328 CG LEU A 91 42.930 -57.057 -73.930 1.00 63.44 C ATOM 1329 CD1 LEU A 91 43.364 -55.814 -74.691 1.00 73.25 C ATOM 1330 CD2 LEU A 91 43.014 -58.287 -74.823 1.00 34.33 C ATOM 0 H LEU A 91 43.921 -59.692 -72.940 1.00 61.40 H new ATOM 0 HA LEU A 91 43.787 -58.078 -70.696 1.00 24.15 H new ATOM 0 HB2 LEU A 91 43.928 -56.271 -72.209 1.00 63.44 H new ATOM 0 HB3 LEU A 91 44.771 -57.598 -72.983 1.00 63.44 H new ATOM 0 HG LEU A 91 41.893 -56.926 -73.622 1.00 63.44 H new ATOM 0 HD11 LEU A 91 42.744 -55.696 -75.580 1.00 73.25 H new ATOM 0 HD12 LEU A 91 43.252 -54.938 -74.052 1.00 73.25 H new ATOM 0 HD13 LEU A 91 44.408 -55.915 -74.988 1.00 73.25 H new ATOM 0 HD21 LEU A 91 42.399 -58.135 -75.710 1.00 34.33 H new ATOM 0 HD22 LEU A 91 44.049 -58.449 -75.123 1.00 34.33 H new ATOM 0 HD23 LEU A 91 42.654 -59.159 -74.276 1.00 34.33 H new ATOM 1342 N VAL A 92 40.882 -58.578 -72.090 1.00 24.35 N ATOM 1343 CA VAL A 92 39.447 -58.381 -71.931 1.00 14.45 C ATOM 1344 C VAL A 92 39.007 -58.670 -70.500 1.00 21.32 C ATOM 1345 O VAL A 92 37.949 -58.221 -70.060 1.00 54.42 O ATOM 1346 CB VAL A 92 38.647 -59.278 -72.893 1.00 55.24 C ATOM 1347 CG1 VAL A 92 37.153 -59.040 -72.728 1.00 62.33 C ATOM 1348 CG2 VAL A 92 39.078 -59.033 -74.332 1.00 31.05 C ATOM 0 H VAL A 92 41.137 -59.267 -72.797 1.00 24.35 H new ATOM 0 HA VAL A 92 39.244 -57.336 -72.166 1.00 14.45 H new ATOM 0 HB VAL A 92 38.854 -60.320 -72.647 1.00 55.24 H new ATOM 0 HG11 VAL A 92 36.604 -59.683 -73.416 1.00 62.33 H new ATOM 0 HG12 VAL A 92 36.859 -59.270 -71.704 1.00 62.33 H new ATOM 0 HG13 VAL A 92 36.925 -57.997 -72.946 1.00 62.33 H new ATOM 0 HG21 VAL A 92 38.502 -59.675 -74.999 1.00 31.05 H new ATOM 0 HG22 VAL A 92 38.902 -57.989 -74.592 1.00 31.05 H new ATOM 0 HG23 VAL A 92 40.139 -59.259 -74.437 1.00 31.05 H new ATOM 1358 N LYS A 93 39.827 -59.425 -69.776 1.00 44.41 N ATOM 1359 CA LYS A 93 39.526 -59.774 -68.393 1.00 73.20 C ATOM 1360 C LYS A 93 39.507 -58.531 -67.509 1.00 71.13 C ATOM 1361 O LYS A 93 38.569 -58.319 -66.741 1.00 12.41 O ATOM 1362 CB LYS A 93 40.555 -60.775 -67.862 1.00 51.22 C ATOM 1363 CG LYS A 93 40.328 -61.169 -66.413 1.00 63.31 C ATOM 1364 CD LYS A 93 41.546 -60.867 -65.556 1.00 62.50 C ATOM 1365 CE LYS A 93 42.377 -62.117 -65.308 1.00 61.23 C ATOM 1366 NZ LYS A 93 41.603 -63.163 -64.584 1.00 4.15 N ATOM 0 H LYS A 93 40.706 -59.807 -70.125 1.00 44.41 H new ATOM 0 HA LYS A 93 38.537 -60.231 -68.368 1.00 73.20 H new ATOM 0 HB2 LYS A 93 40.531 -61.671 -68.482 1.00 51.22 H new ATOM 0 HB3 LYS A 93 41.552 -60.346 -67.961 1.00 51.22 H new ATOM 0 HG2 LYS A 93 39.464 -60.633 -66.020 1.00 63.31 H new ATOM 0 HG3 LYS A 93 40.097 -62.233 -66.356 1.00 63.31 H new ATOM 0 HD2 LYS A 93 42.160 -60.112 -66.048 1.00 62.50 H new ATOM 0 HD3 LYS A 93 41.226 -60.446 -64.603 1.00 62.50 H new ATOM 0 HE2 LYS A 93 42.725 -62.517 -66.261 1.00 61.23 H new ATOM 0 HE3 LYS A 93 43.263 -61.855 -64.730 1.00 61.23 H new ATOM 0 HZ1 LYS A 93 42.252 -63.745 -64.017 1.00 4.15 H new ATOM 0 HZ2 LYS A 93 40.908 -62.709 -63.958 1.00 4.15 H new ATOM 0 HZ3 LYS A 93 41.108 -63.767 -65.271 1.00 4.15 H new ATOM 1380 N ARG A 94 40.548 -57.713 -67.625 1.00 14.33 N ATOM 1381 CA ARG A 94 40.650 -56.491 -66.836 1.00 53.32 C ATOM 1382 C ARG A 94 39.576 -55.487 -67.247 1.00 61.30 C ATOM 1383 O ARG A 94 38.980 -54.819 -66.402 1.00 3.52 O ATOM 1384 CB ARG A 94 42.036 -55.866 -67.001 1.00 65.25 C ATOM 1385 CG ARG A 94 42.781 -55.681 -65.689 1.00 40.55 C ATOM 1386 CD ARG A 94 43.084 -57.015 -65.027 1.00 65.54 C ATOM 1387 NE ARG A 94 43.328 -56.873 -63.594 1.00 54.04 N ATOM 1388 CZ ARG A 94 43.418 -57.901 -62.758 1.00 71.45 C ATOM 1389 NH1 ARG A 94 43.286 -59.141 -63.210 1.00 43.15 N ATOM 1390 NH2 ARG A 94 43.641 -57.691 -61.467 1.00 51.05 N ATOM 0 H ARG A 94 41.332 -57.874 -68.257 1.00 14.33 H new ATOM 0 HA ARG A 94 40.499 -56.751 -65.788 1.00 53.32 H new ATOM 0 HB2 ARG A 94 42.632 -56.495 -67.662 1.00 65.25 H new ATOM 0 HB3 ARG A 94 41.933 -54.897 -67.490 1.00 65.25 H new ATOM 0 HG2 ARG A 94 43.712 -55.144 -65.871 1.00 40.55 H new ATOM 0 HG3 ARG A 94 42.185 -55.066 -65.015 1.00 40.55 H new ATOM 0 HD2 ARG A 94 42.249 -57.697 -65.186 1.00 65.54 H new ATOM 0 HD3 ARG A 94 43.957 -57.464 -65.500 1.00 65.54 H new ATOM 0 HE ARG A 94 43.435 -55.932 -63.214 1.00 54.04 H new ATOM 0 HH11 ARG A 94 43.115 -59.307 -64.202 1.00 43.15 H new ATOM 0 HH12 ARG A 94 43.356 -59.929 -62.566 1.00 43.15 H new ATOM 0 HH21 ARG A 94 43.744 -56.739 -61.115 1.00 51.05 H new ATOM 0 HH22 ARG A 94 43.710 -58.482 -60.826 1.00 51.05 H new ATOM 1404 N HIS A 95 39.334 -55.387 -68.550 1.00 65.14 N ATOM 1405 CA HIS A 95 38.332 -54.465 -69.074 1.00 25.34 C ATOM 1406 C HIS A 95 36.926 -54.922 -68.699 1.00 12.14 C ATOM 1407 O HIS A 95 36.081 -54.111 -68.319 1.00 24.22 O ATOM 1408 CB HIS A 95 38.457 -54.353 -70.593 1.00 54.33 C ATOM 1409 CG HIS A 95 37.195 -53.906 -71.266 1.00 2.32 C ATOM 1410 ND1 HIS A 95 36.423 -52.862 -70.800 1.00 61.41 N ATOM 1411 CD2 HIS A 95 36.573 -54.366 -72.376 1.00 41.34 C ATOM 1412 CE1 HIS A 95 35.380 -52.701 -71.594 1.00 74.21 C ATOM 1413 NE2 HIS A 95 35.447 -53.601 -72.559 1.00 3.31 N ATOM 0 H HIS A 95 39.818 -55.933 -69.263 1.00 65.14 H new ATOM 0 HA HIS A 95 38.507 -53.485 -68.630 1.00 25.34 H new ATOM 0 HB2 HIS A 95 39.255 -53.651 -70.833 1.00 54.33 H new ATOM 0 HB3 HIS A 95 38.752 -55.321 -70.998 1.00 54.33 H new ATOM 0 HD2 HIS A 95 36.901 -55.183 -73.002 1.00 41.34 H new ATOM 0 HE1 HIS A 95 34.604 -51.959 -71.475 1.00 74.21 H new ATOM 0 HE2 HIS A 95 34.773 -53.710 -73.316 1.00 3.31 H new ATOM 1421 N GLN A 96 36.682 -56.224 -68.809 1.00 3.11 N ATOM 1422 CA GLN A 96 35.377 -56.787 -68.483 1.00 4.23 C ATOM 1423 C GLN A 96 35.136 -56.764 -66.977 1.00 31.40 C ATOM 1424 O GLN A 96 34.002 -56.610 -66.522 1.00 32.33 O ATOM 1425 CB GLN A 96 35.271 -58.220 -69.007 1.00 3.10 C ATOM 1426 CG GLN A 96 34.071 -58.979 -68.464 1.00 43.01 C ATOM 1427 CD GLN A 96 33.313 -59.722 -69.546 1.00 34.10 C ATOM 1428 OE1 GLN A 96 33.200 -59.250 -70.678 1.00 4.14 O ATOM 1429 NE2 GLN A 96 32.787 -60.892 -69.203 1.00 73.23 N ATOM 0 H GLN A 96 37.371 -56.909 -69.121 1.00 3.11 H new ATOM 0 HA GLN A 96 34.614 -56.175 -68.964 1.00 4.23 H new ATOM 0 HB2 GLN A 96 35.214 -58.197 -70.095 1.00 3.10 H new ATOM 0 HB3 GLN A 96 36.181 -58.761 -68.747 1.00 3.10 H new ATOM 0 HG2 GLN A 96 34.406 -59.689 -67.708 1.00 43.01 H new ATOM 0 HG3 GLN A 96 33.397 -58.280 -67.968 1.00 43.01 H new ATOM 0 HE21 GLN A 96 32.905 -61.245 -68.254 1.00 73.23 H new ATOM 0 HE22 GLN A 96 32.265 -61.437 -69.889 1.00 73.23 H new ATOM 1438 N LEU A 97 36.208 -56.920 -66.209 1.00 4.54 N ATOM 1439 CA LEU A 97 36.113 -56.917 -64.753 1.00 23.41 C ATOM 1440 C LEU A 97 35.564 -55.588 -64.245 1.00 21.21 C ATOM 1441 O LEU A 97 34.598 -55.556 -63.482 1.00 50.41 O ATOM 1442 CB LEU A 97 37.485 -57.186 -64.132 1.00 44.11 C ATOM 1443 CG LEU A 97 37.706 -58.592 -63.574 1.00 60.41 C ATOM 1444 CD1 LEU A 97 39.104 -58.721 -62.989 1.00 71.32 C ATOM 1445 CD2 LEU A 97 36.654 -58.921 -62.524 1.00 43.35 C ATOM 0 H LEU A 97 37.153 -57.050 -66.570 1.00 4.54 H new ATOM 0 HA LEU A 97 35.425 -57.709 -64.457 1.00 23.41 H new ATOM 0 HB2 LEU A 97 38.247 -56.993 -64.887 1.00 44.11 H new ATOM 0 HB3 LEU A 97 37.644 -56.468 -63.327 1.00 44.11 H new ATOM 0 HG LEU A 97 37.610 -59.306 -64.392 1.00 60.41 H new ATOM 0 HD11 LEU A 97 39.243 -59.728 -62.597 1.00 71.32 H new ATOM 0 HD12 LEU A 97 39.843 -58.530 -63.767 1.00 71.32 H new ATOM 0 HD13 LEU A 97 39.229 -57.998 -62.183 1.00 71.32 H new ATOM 0 HD21 LEU A 97 36.827 -59.926 -62.138 1.00 43.35 H new ATOM 0 HD22 LEU A 97 36.718 -58.202 -61.707 1.00 43.35 H new ATOM 0 HD23 LEU A 97 35.663 -58.871 -62.974 1.00 43.35 H new ATOM 1457 N ILE A 98 36.185 -54.495 -64.674 1.00 53.34 N ATOM 1458 CA ILE A 98 35.756 -53.163 -64.266 1.00 14.04 C ATOM 1459 C ILE A 98 34.613 -52.660 -65.142 1.00 23.31 C ATOM 1460 O ILE A 98 33.877 -51.751 -64.759 1.00 11.01 O ATOM 1461 CB ILE A 98 36.917 -52.154 -64.327 1.00 42.41 C ATOM 1462 CG1 ILE A 98 37.418 -52.006 -65.765 1.00 71.03 C ATOM 1463 CG2 ILE A 98 38.048 -52.592 -63.409 1.00 5.41 C ATOM 1464 CD1 ILE A 98 37.797 -50.588 -66.131 1.00 23.05 C ATOM 0 H ILE A 98 36.987 -54.505 -65.304 1.00 53.34 H new ATOM 0 HA ILE A 98 35.411 -53.245 -63.235 1.00 14.04 H new ATOM 0 HB ILE A 98 36.554 -51.184 -63.987 1.00 42.41 H new ATOM 0 HG12 ILE A 98 38.284 -52.653 -65.908 1.00 71.03 H new ATOM 0 HG13 ILE A 98 36.644 -52.354 -66.448 1.00 71.03 H new ATOM 0 HG21 ILE A 98 38.861 -51.869 -63.463 1.00 5.41 H new ATOM 0 HG22 ILE A 98 37.682 -52.651 -62.384 1.00 5.41 H new ATOM 0 HG23 ILE A 98 38.412 -53.571 -63.721 1.00 5.41 H new ATOM 0 HD11 ILE A 98 38.143 -50.559 -67.164 1.00 23.05 H new ATOM 0 HD12 ILE A 98 36.928 -49.939 -66.021 1.00 23.05 H new ATOM 0 HD13 ILE A 98 38.594 -50.243 -65.472 1.00 23.05 H new ATOM 1476 N TYR A 99 34.470 -53.259 -66.319 1.00 25.21 N ATOM 1477 CA TYR A 99 33.418 -52.872 -67.251 1.00 31.23 C ATOM 1478 C TYR A 99 33.211 -51.361 -67.242 1.00 11.34 C ATOM 1479 O TYR A 99 32.114 -50.874 -66.970 1.00 21.41 O ATOM 1480 CB TYR A 99 32.109 -53.580 -66.896 1.00 53.53 C ATOM 1481 CG TYR A 99 31.772 -53.527 -65.423 1.00 71.53 C ATOM 1482 CD1 TYR A 99 32.239 -54.501 -64.549 1.00 12.23 C ATOM 1483 CD2 TYR A 99 30.987 -52.504 -64.906 1.00 2.01 C ATOM 1484 CE1 TYR A 99 31.933 -54.457 -63.202 1.00 73.43 C ATOM 1485 CE2 TYR A 99 30.677 -52.452 -63.561 1.00 4.24 C ATOM 1486 CZ TYR A 99 31.152 -53.431 -62.713 1.00 50.01 C ATOM 1487 OH TYR A 99 30.846 -53.383 -61.372 1.00 60.43 O ATOM 0 H TYR A 99 35.070 -54.015 -66.650 1.00 25.21 H new ATOM 0 HA TYR A 99 33.726 -53.172 -68.253 1.00 31.23 H new ATOM 0 HB2 TYR A 99 31.295 -53.127 -67.463 1.00 53.53 H new ATOM 0 HB3 TYR A 99 32.173 -54.622 -67.208 1.00 53.53 H new ATOM 0 HD1 TYR A 99 32.851 -55.306 -64.929 1.00 12.23 H new ATOM 0 HD2 TYR A 99 30.613 -51.736 -65.567 1.00 2.01 H new ATOM 0 HE1 TYR A 99 32.304 -55.222 -62.536 1.00 73.43 H new ATOM 0 HE2 TYR A 99 30.066 -51.649 -63.175 1.00 4.24 H new ATOM 0 HH TYR A 99 30.289 -52.597 -61.192 1.00 60.43 H new ATOM 1497 N GLY A 100 34.275 -50.622 -67.542 1.00 22.32 N ATOM 1498 CA GLY A 100 34.191 -49.174 -67.563 1.00 51.35 C ATOM 1499 C GLY A 100 34.018 -48.624 -68.965 1.00 54.14 C ATOM 1500 O GLY A 100 33.289 -47.653 -69.174 1.00 1.20 O ATOM 0 H GLY A 100 35.194 -51.001 -67.771 1.00 22.32 H new ATOM 0 HA2 GLY A 100 33.353 -48.853 -66.944 1.00 51.35 H new ATOM 0 HA3 GLY A 100 35.094 -48.754 -67.120 1.00 51.35 H new ATOM 1504 N LEU A 101 34.689 -49.244 -69.929 1.00 42.14 N ATOM 1505 CA LEU A 101 34.608 -48.810 -71.320 1.00 14.12 C ATOM 1506 C LEU A 101 33.199 -49.007 -71.870 1.00 73.30 C ATOM 1507 O LEU A 101 32.347 -49.618 -71.222 1.00 44.21 O ATOM 1508 CB LEU A 101 35.614 -49.581 -72.175 1.00 62.03 C ATOM 1509 CG LEU A 101 36.367 -48.764 -73.226 1.00 20.00 C ATOM 1510 CD1 LEU A 101 37.279 -47.746 -72.558 1.00 74.22 C ATOM 1511 CD2 LEU A 101 37.167 -49.680 -74.141 1.00 51.20 C ATOM 0 H LEU A 101 35.296 -50.049 -69.773 1.00 42.14 H new ATOM 0 HA LEU A 101 34.848 -47.747 -71.358 1.00 14.12 H new ATOM 0 HB2 LEU A 101 36.345 -50.044 -71.512 1.00 62.03 H new ATOM 0 HB3 LEU A 101 35.086 -50.389 -72.682 1.00 62.03 H new ATOM 0 HG LEU A 101 35.638 -48.226 -73.831 1.00 20.00 H new ATOM 0 HD11 LEU A 101 37.807 -47.174 -73.321 1.00 74.22 H new ATOM 0 HD12 LEU A 101 36.683 -47.070 -71.945 1.00 74.22 H new ATOM 0 HD13 LEU A 101 38.002 -48.264 -71.928 1.00 74.22 H new ATOM 0 HD21 LEU A 101 37.696 -49.082 -74.883 1.00 51.20 H new ATOM 0 HD22 LEU A 101 37.887 -50.246 -73.550 1.00 51.20 H new ATOM 0 HD23 LEU A 101 36.491 -50.370 -74.647 1.00 51.20 H new ATOM 1523 N LEU A 102 32.960 -48.489 -73.070 1.00 12.04 N ATOM 1524 CA LEU A 102 31.654 -48.610 -73.709 1.00 63.01 C ATOM 1525 C LEU A 102 30.572 -47.938 -72.870 1.00 3.11 C ATOM 1526 O LEU A 102 29.983 -48.559 -71.986 1.00 21.34 O ATOM 1527 CB LEU A 102 31.305 -50.083 -73.926 1.00 65.53 C ATOM 1528 CG LEU A 102 30.299 -50.378 -75.039 1.00 63.15 C ATOM 1529 CD1 LEU A 102 31.016 -50.600 -76.362 1.00 44.21 C ATOM 1530 CD2 LEU A 102 29.448 -51.588 -74.683 1.00 23.14 C ATOM 0 H LEU A 102 33.653 -47.981 -73.620 1.00 12.04 H new ATOM 0 HA LEU A 102 31.703 -48.108 -74.675 1.00 63.01 H new ATOM 0 HB2 LEU A 102 32.225 -50.626 -74.142 1.00 65.53 H new ATOM 0 HB3 LEU A 102 30.911 -50.484 -72.992 1.00 65.53 H new ATOM 0 HG LEU A 102 29.642 -49.515 -75.145 1.00 63.15 H new ATOM 0 HD11 LEU A 102 30.284 -50.809 -77.142 1.00 44.21 H new ATOM 0 HD12 LEU A 102 31.581 -49.705 -76.624 1.00 44.21 H new ATOM 0 HD13 LEU A 102 31.698 -51.445 -76.269 1.00 44.21 H new ATOM 0 HD21 LEU A 102 28.738 -51.783 -75.487 1.00 23.14 H new ATOM 0 HD22 LEU A 102 30.091 -52.458 -74.548 1.00 23.14 H new ATOM 0 HD23 LEU A 102 28.905 -51.391 -73.759 1.00 23.14 H new ATOM 1542 N SER A 103 30.315 -46.665 -73.155 1.00 31.43 N ATOM 1543 CA SER A 103 29.305 -45.908 -72.425 1.00 74.11 C ATOM 1544 C SER A 103 29.204 -44.482 -72.959 1.00 31.32 C ATOM 1545 O SER A 103 28.265 -44.142 -73.680 1.00 24.45 O ATOM 1546 CB SER A 103 29.635 -45.883 -70.932 1.00 21.54 C ATOM 1547 OG SER A 103 28.946 -46.910 -70.240 1.00 32.33 O ATOM 0 H SER A 103 30.792 -46.137 -73.886 1.00 31.43 H new ATOM 0 HA SER A 103 28.343 -46.401 -72.569 1.00 74.11 H new ATOM 0 HB2 SER A 103 30.709 -46.003 -70.792 1.00 21.54 H new ATOM 0 HB3 SER A 103 29.365 -44.914 -70.513 1.00 21.54 H new ATOM 0 HG SER A 103 29.125 -47.772 -70.671 1.00 32.33 H new ATOM 1553 N ASP A 104 30.177 -43.653 -72.599 1.00 42.14 N ATOM 1554 CA ASP A 104 30.200 -42.264 -73.042 1.00 42.50 C ATOM 1555 C ASP A 104 30.590 -42.169 -74.514 1.00 3.53 C ATOM 1556 O ASP A 104 30.172 -41.250 -75.218 1.00 31.31 O ATOM 1557 CB ASP A 104 31.176 -41.450 -72.190 1.00 33.45 C ATOM 1558 CG ASP A 104 31.026 -39.957 -72.404 1.00 30.11 C ATOM 1559 OD1 ASP A 104 30.196 -39.559 -73.248 1.00 41.32 O ATOM 1560 OD2 ASP A 104 31.738 -39.187 -71.727 1.00 11.33 O ATOM 0 H ASP A 104 30.960 -43.918 -72.002 1.00 42.14 H new ATOM 0 HA ASP A 104 29.197 -41.854 -72.923 1.00 42.50 H new ATOM 0 HB2 ASP A 104 31.014 -41.681 -71.137 1.00 33.45 H new ATOM 0 HB3 ASP A 104 32.197 -41.747 -72.429 1.00 33.45 H new ATOM 1565 N GLU A 105 31.395 -43.123 -74.970 1.00 71.24 N ATOM 1566 CA GLU A 105 31.842 -43.145 -76.358 1.00 45.10 C ATOM 1567 C GLU A 105 30.656 -43.062 -77.314 1.00 12.22 C ATOM 1568 O GLU A 105 30.703 -42.354 -78.320 1.00 1.31 O ATOM 1569 CB GLU A 105 32.648 -44.415 -76.637 1.00 63.33 C ATOM 1570 CG GLU A 105 33.696 -44.717 -75.579 1.00 14.24 C ATOM 1571 CD GLU A 105 33.383 -45.973 -74.790 1.00 33.44 C ATOM 1572 OE1 GLU A 105 33.643 -47.079 -75.309 1.00 33.22 O ATOM 1573 OE2 GLU A 105 32.878 -45.851 -73.654 1.00 71.41 O ATOM 0 H GLU A 105 31.751 -43.890 -74.400 1.00 71.24 H new ATOM 0 HA GLU A 105 32.479 -42.276 -76.521 1.00 45.10 H new ATOM 0 HB2 GLU A 105 31.964 -45.260 -76.710 1.00 63.33 H new ATOM 0 HB3 GLU A 105 33.139 -44.318 -77.605 1.00 63.33 H new ATOM 0 HG2 GLU A 105 34.669 -44.826 -76.058 1.00 14.24 H new ATOM 0 HG3 GLU A 105 33.770 -43.872 -74.895 1.00 14.24 H new ATOM 1580 N PHE A 106 29.592 -43.791 -76.992 1.00 43.11 N ATOM 1581 CA PHE A 106 28.393 -43.802 -77.822 1.00 43.41 C ATOM 1582 C PHE A 106 27.823 -42.394 -77.972 1.00 63.24 C ATOM 1583 O PHE A 106 27.198 -42.069 -78.982 1.00 61.31 O ATOM 1584 CB PHE A 106 27.338 -44.730 -77.218 1.00 54.20 C ATOM 1585 CG PHE A 106 26.032 -44.046 -76.931 1.00 55.31 C ATOM 1586 CD1 PHE A 106 25.858 -43.315 -75.767 1.00 20.45 C ATOM 1587 CD2 PHE A 106 24.977 -44.134 -77.826 1.00 1.43 C ATOM 1588 CE1 PHE A 106 24.658 -42.684 -75.500 1.00 34.35 C ATOM 1589 CE2 PHE A 106 23.775 -43.504 -77.564 1.00 73.34 C ATOM 1590 CZ PHE A 106 23.614 -42.780 -76.399 1.00 43.13 C ATOM 0 H PHE A 106 29.536 -44.382 -76.162 1.00 43.11 H new ATOM 0 HA PHE A 106 28.668 -44.171 -78.810 1.00 43.41 H new ATOM 0 HB2 PHE A 106 27.162 -45.560 -77.902 1.00 54.20 H new ATOM 0 HB3 PHE A 106 27.727 -45.156 -76.293 1.00 54.20 H new ATOM 0 HD1 PHE A 106 26.670 -43.237 -75.060 1.00 20.45 H new ATOM 0 HD2 PHE A 106 25.096 -44.701 -78.738 1.00 1.43 H new ATOM 0 HE1 PHE A 106 24.537 -42.116 -74.589 1.00 34.35 H new ATOM 0 HE2 PHE A 106 22.961 -43.578 -78.270 1.00 73.34 H new ATOM 0 HZ PHE A 106 22.674 -42.290 -76.192 1.00 43.13 H new ATOM 1600 N LYS A 107 28.043 -41.562 -76.960 1.00 61.20 N ATOM 1601 CA LYS A 107 27.553 -40.189 -76.977 1.00 41.04 C ATOM 1602 C LYS A 107 28.376 -39.330 -77.932 1.00 52.22 C ATOM 1603 O LYS A 107 27.953 -38.243 -78.325 1.00 0.35 O ATOM 1604 CB LYS A 107 27.599 -39.592 -75.569 1.00 54.31 C ATOM 1605 CG LYS A 107 27.180 -38.133 -75.513 1.00 40.35 C ATOM 1606 CD LYS A 107 26.974 -37.666 -74.082 1.00 44.32 C ATOM 1607 CE LYS A 107 25.737 -36.790 -73.954 1.00 22.53 C ATOM 1608 NZ LYS A 107 25.096 -36.930 -72.617 1.00 53.50 N ATOM 0 H LYS A 107 28.558 -41.815 -76.117 1.00 61.20 H new ATOM 0 HA LYS A 107 26.520 -40.202 -77.326 1.00 41.04 H new ATOM 0 HB2 LYS A 107 26.949 -40.173 -74.915 1.00 54.31 H new ATOM 0 HB3 LYS A 107 28.612 -39.686 -75.177 1.00 54.31 H new ATOM 0 HG2 LYS A 107 27.941 -37.517 -75.992 1.00 40.35 H new ATOM 0 HG3 LYS A 107 26.258 -37.997 -76.077 1.00 40.35 H new ATOM 0 HD2 LYS A 107 26.878 -38.531 -73.426 1.00 44.32 H new ATOM 0 HD3 LYS A 107 27.851 -37.110 -73.750 1.00 44.32 H new ATOM 0 HE2 LYS A 107 26.011 -35.748 -74.118 1.00 22.53 H new ATOM 0 HE3 LYS A 107 25.020 -37.057 -74.730 1.00 22.53 H new ATOM 0 HZ1 LYS A 107 24.257 -36.318 -72.569 1.00 53.50 H new ATOM 0 HZ2 LYS A 107 24.812 -37.920 -72.470 1.00 53.50 H new ATOM 0 HZ3 LYS A 107 25.771 -36.651 -71.877 1.00 53.50 H new ATOM 1622 N ALA A 108 29.552 -39.825 -78.303 1.00 73.52 N ATOM 1623 CA ALA A 108 30.431 -39.104 -79.215 1.00 24.52 C ATOM 1624 C ALA A 108 30.195 -39.533 -80.659 1.00 43.11 C ATOM 1625 O ALA A 108 30.155 -38.701 -81.565 1.00 21.32 O ATOM 1626 CB ALA A 108 31.886 -39.324 -78.828 1.00 65.02 C ATOM 0 H ALA A 108 29.918 -40.723 -77.986 1.00 73.52 H new ATOM 0 HA ALA A 108 30.202 -38.041 -79.138 1.00 24.52 H new ATOM 0 HB1 ALA A 108 32.532 -38.780 -79.517 1.00 65.02 H new ATOM 0 HB2 ALA A 108 32.051 -38.962 -77.813 1.00 65.02 H new ATOM 0 HB3 ALA A 108 32.118 -40.388 -78.876 1.00 65.02 H new ATOM 1632 N GLY A 109 30.040 -40.837 -80.867 1.00 63.02 N ATOM 1633 CA GLY A 109 29.811 -41.353 -82.204 1.00 41.21 C ATOM 1634 C GLY A 109 31.013 -42.097 -82.752 1.00 54.24 C ATOM 1635 O GLY A 109 30.959 -42.654 -83.849 1.00 64.54 O ATOM 0 H GLY A 109 30.069 -41.545 -80.134 1.00 63.02 H new ATOM 0 HA2 GLY A 109 28.950 -42.021 -82.190 1.00 41.21 H new ATOM 0 HA3 GLY A 109 29.563 -40.527 -82.871 1.00 41.21 H new ATOM 1639 N LEU A 110 32.100 -42.105 -81.989 1.00 71.03 N ATOM 1640 CA LEU A 110 33.322 -42.785 -82.406 1.00 34.04 C ATOM 1641 C LEU A 110 33.701 -43.879 -81.413 1.00 71.41 C ATOM 1642 O LEU A 110 33.554 -43.712 -80.202 1.00 4.31 O ATOM 1643 CB LEU A 110 34.468 -41.781 -82.538 1.00 11.23 C ATOM 1644 CG LEU A 110 34.460 -40.618 -81.544 1.00 73.44 C ATOM 1645 CD1 LEU A 110 33.341 -39.642 -81.874 1.00 60.42 C ATOM 1646 CD2 LEU A 110 34.317 -41.135 -80.120 1.00 52.21 C ATOM 0 H LEU A 110 32.161 -41.649 -81.079 1.00 71.03 H new ATOM 0 HA LEU A 110 33.139 -43.247 -83.376 1.00 34.04 H new ATOM 0 HB2 LEU A 110 35.410 -42.319 -82.430 1.00 11.23 H new ATOM 0 HB3 LEU A 110 34.450 -41.370 -83.547 1.00 11.23 H new ATOM 0 HG LEU A 110 35.410 -40.090 -81.624 1.00 73.44 H new ATOM 0 HD11 LEU A 110 33.351 -38.821 -81.157 1.00 60.42 H new ATOM 0 HD12 LEU A 110 33.487 -39.247 -82.879 1.00 60.42 H new ATOM 0 HD13 LEU A 110 32.382 -40.157 -81.823 1.00 60.42 H new ATOM 0 HD21 LEU A 110 34.313 -40.294 -79.426 1.00 52.21 H new ATOM 0 HD22 LEU A 110 33.382 -41.687 -80.026 1.00 52.21 H new ATOM 0 HD23 LEU A 110 35.153 -41.794 -79.887 1.00 52.21 H new ATOM 1658 N HIS A 111 34.191 -45.000 -81.934 1.00 42.21 N ATOM 1659 CA HIS A 111 34.595 -46.121 -81.093 1.00 73.23 C ATOM 1660 C HIS A 111 35.701 -45.706 -80.128 1.00 33.02 C ATOM 1661 O HIS A 111 36.026 -44.525 -80.012 1.00 53.22 O ATOM 1662 CB HIS A 111 35.069 -47.290 -81.958 1.00 53.31 C ATOM 1663 CG HIS A 111 34.441 -48.599 -81.591 1.00 63.34 C ATOM 1664 ND1 HIS A 111 35.172 -49.747 -81.366 1.00 52.10 N ATOM 1665 CD2 HIS A 111 33.144 -48.939 -81.409 1.00 72.34 C ATOM 1666 CE1 HIS A 111 34.351 -50.736 -81.063 1.00 72.40 C ATOM 1667 NE2 HIS A 111 33.114 -50.273 -81.082 1.00 43.50 N ATOM 0 H HIS A 111 34.318 -45.156 -82.934 1.00 42.21 H new ATOM 0 HA HIS A 111 33.729 -46.437 -80.511 1.00 73.23 H new ATOM 0 HB2 HIS A 111 34.849 -47.071 -83.003 1.00 53.31 H new ATOM 0 HB3 HIS A 111 36.152 -47.379 -81.872 1.00 53.31 H new ATOM 0 HD2 HIS A 111 32.291 -48.283 -81.503 1.00 72.34 H new ATOM 0 HE1 HIS A 111 34.642 -51.751 -80.838 1.00 72.40 H new ATOM 0 HE2 HIS A 111 32.274 -50.817 -80.886 1.00 43.50 H new ATOM 1675 N ALA A 112 36.274 -46.685 -79.436 1.00 64.33 N ATOM 1676 CA ALA A 112 37.344 -46.422 -78.482 1.00 42.42 C ATOM 1677 C ALA A 112 38.319 -47.592 -78.413 1.00 21.20 C ATOM 1678 O ALA A 112 38.006 -48.701 -78.848 1.00 73.04 O ATOM 1679 CB ALA A 112 36.764 -46.133 -77.105 1.00 63.14 C ATOM 0 H ALA A 112 36.015 -47.668 -79.518 1.00 64.33 H new ATOM 0 HA ALA A 112 37.894 -45.545 -78.824 1.00 42.42 H new ATOM 0 HB1 ALA A 112 37.574 -45.938 -76.402 1.00 63.14 H new ATOM 0 HB2 ALA A 112 36.114 -45.260 -77.160 1.00 63.14 H new ATOM 0 HB3 ALA A 112 36.188 -46.994 -76.765 1.00 63.14 H new ATOM 1685 N LEU A 113 39.502 -47.339 -77.864 1.00 60.12 N ATOM 1686 CA LEU A 113 40.524 -48.372 -77.739 1.00 20.55 C ATOM 1687 C LEU A 113 40.923 -48.569 -76.280 1.00 22.05 C ATOM 1688 O LEU A 113 41.180 -47.604 -75.561 1.00 10.14 O ATOM 1689 CB LEU A 113 41.754 -48.005 -78.571 1.00 31.14 C ATOM 1690 CG LEU A 113 42.227 -46.555 -78.465 1.00 55.34 C ATOM 1691 CD1 LEU A 113 43.745 -46.491 -78.402 1.00 73.23 C ATOM 1692 CD2 LEU A 113 41.705 -45.737 -79.638 1.00 70.44 C ATOM 0 H LEU A 113 39.777 -46.427 -77.498 1.00 60.12 H new ATOM 0 HA LEU A 113 40.107 -49.307 -78.112 1.00 20.55 H new ATOM 0 HB2 LEU A 113 42.576 -48.657 -78.275 1.00 31.14 H new ATOM 0 HB3 LEU A 113 41.538 -48.220 -79.617 1.00 31.14 H new ATOM 0 HG LEU A 113 41.828 -46.129 -77.544 1.00 55.34 H new ATOM 0 HD11 LEU A 113 44.063 -45.451 -78.327 1.00 73.23 H new ATOM 0 HD12 LEU A 113 44.096 -47.042 -77.529 1.00 73.23 H new ATOM 0 HD13 LEU A 113 44.166 -46.934 -79.305 1.00 73.23 H new ATOM 0 HD21 LEU A 113 42.051 -44.708 -79.546 1.00 70.44 H new ATOM 0 HD22 LEU A 113 42.074 -46.162 -80.571 1.00 70.44 H new ATOM 0 HD23 LEU A 113 40.615 -45.755 -79.637 1.00 70.44 H new ATOM 1704 N ALA A 114 40.975 -49.826 -75.850 1.00 1.53 N ATOM 1705 CA ALA A 114 41.347 -50.149 -74.478 1.00 43.11 C ATOM 1706 C ALA A 114 42.523 -51.119 -74.443 1.00 23.15 C ATOM 1707 O ALA A 114 42.593 -52.053 -75.240 1.00 63.54 O ATOM 1708 CB ALA A 114 40.157 -50.732 -73.732 1.00 33.23 C ATOM 0 H ALA A 114 40.764 -50.637 -76.432 1.00 1.53 H new ATOM 0 HA ALA A 114 41.655 -49.227 -73.984 1.00 43.11 H new ATOM 0 HB1 ALA A 114 40.449 -50.969 -72.709 1.00 33.23 H new ATOM 0 HB2 ALA A 114 39.345 -50.005 -73.719 1.00 33.23 H new ATOM 0 HB3 ALA A 114 39.823 -51.641 -74.233 1.00 33.23 H new ATOM 1714 N MET A 115 43.445 -50.890 -73.513 1.00 62.40 N ATOM 1715 CA MET A 115 44.618 -51.746 -73.374 1.00 43.41 C ATOM 1716 C MET A 115 44.858 -52.107 -71.912 1.00 15.14 C ATOM 1717 O MET A 115 45.068 -51.232 -71.071 1.00 52.30 O ATOM 1718 CB MET A 115 45.854 -51.050 -73.948 1.00 51.14 C ATOM 1719 CG MET A 115 45.582 -50.297 -75.240 1.00 52.25 C ATOM 1720 SD MET A 115 46.842 -50.592 -76.495 1.00 64.53 S ATOM 1721 CE MET A 115 48.115 -49.445 -75.974 1.00 52.30 C ATOM 0 H MET A 115 43.403 -50.120 -72.845 1.00 62.40 H new ATOM 0 HA MET A 115 44.434 -52.665 -73.931 1.00 43.41 H new ATOM 0 HB2 MET A 115 46.246 -50.354 -73.207 1.00 51.14 H new ATOM 0 HB3 MET A 115 46.630 -51.794 -74.127 1.00 51.14 H new ATOM 0 HG2 MET A 115 44.609 -50.594 -75.631 1.00 52.25 H new ATOM 0 HG3 MET A 115 45.528 -49.229 -75.029 1.00 52.25 H new ATOM 0 HE1 MET A 115 48.308 -48.728 -76.772 1.00 52.30 H new ATOM 0 HE2 MET A 115 47.783 -48.914 -75.082 1.00 52.30 H new ATOM 0 HE3 MET A 115 49.030 -49.994 -75.750 1.00 52.30 H new ATOM 1731 N THR A 116 44.824 -53.402 -71.613 1.00 72.12 N ATOM 1732 CA THR A 116 45.035 -53.879 -70.252 1.00 44.33 C ATOM 1733 C THR A 116 46.164 -54.902 -70.197 1.00 42.33 C ATOM 1734 O THR A 116 46.107 -55.941 -70.855 1.00 21.52 O ATOM 1735 CB THR A 116 43.756 -54.511 -69.673 1.00 72.33 C ATOM 1736 OG1 THR A 116 43.731 -55.914 -69.959 1.00 34.33 O ATOM 1737 CG2 THR A 116 42.515 -53.848 -70.252 1.00 71.51 C ATOM 0 H THR A 116 44.652 -54.140 -72.296 1.00 72.12 H new ATOM 0 HA THR A 116 45.305 -53.011 -69.651 1.00 44.33 H new ATOM 0 HB THR A 116 43.759 -54.360 -68.593 1.00 72.33 H new ATOM 0 HG1 THR A 116 42.817 -56.252 -69.859 1.00 34.33 H new ATOM 0 HG21 THR A 116 41.624 -54.311 -69.828 1.00 71.51 H new ATOM 0 HG22 THR A 116 42.523 -52.786 -70.008 1.00 71.51 H new ATOM 0 HG23 THR A 116 42.508 -53.972 -71.335 1.00 71.51 H new ATOM 1745 N THR A 117 47.191 -54.601 -69.408 1.00 20.40 N ATOM 1746 CA THR A 117 48.334 -55.495 -69.267 1.00 52.24 C ATOM 1747 C THR A 117 48.521 -55.924 -67.817 1.00 31.13 C ATOM 1748 O THR A 117 48.909 -55.123 -66.966 1.00 61.02 O ATOM 1749 CB THR A 117 49.631 -54.830 -69.766 1.00 21.35 C ATOM 1750 OG1 THR A 117 50.767 -55.584 -69.327 1.00 41.31 O ATOM 1751 CG2 THR A 117 49.737 -53.401 -69.256 1.00 51.22 C ATOM 0 H THR A 117 47.255 -53.745 -68.857 1.00 20.40 H new ATOM 0 HA THR A 117 48.126 -56.373 -69.878 1.00 52.24 H new ATOM 0 HB THR A 117 49.607 -54.809 -70.856 1.00 21.35 H new ATOM 0 HG1 THR A 117 51.588 -55.156 -69.649 1.00 41.31 H new ATOM 0 HG21 THR A 117 50.661 -52.952 -69.621 1.00 51.22 H new ATOM 0 HG22 THR A 117 48.886 -52.823 -69.615 1.00 51.22 H new ATOM 0 HG23 THR A 117 49.741 -53.403 -68.166 1.00 51.22 H new ATOM 1759 N LYS A 118 48.243 -57.194 -67.540 1.00 1.42 N ATOM 1760 CA LYS A 118 48.383 -57.731 -66.192 1.00 35.43 C ATOM 1761 C LYS A 118 48.973 -59.138 -66.225 1.00 53.51 C ATOM 1762 O LYS A 118 48.634 -59.944 -67.092 1.00 64.12 O ATOM 1763 CB LYS A 118 47.025 -57.753 -65.486 1.00 74.43 C ATOM 1764 CG LYS A 118 47.056 -58.431 -64.127 1.00 41.22 C ATOM 1765 CD LYS A 118 46.408 -59.804 -64.174 1.00 22.44 C ATOM 1766 CE LYS A 118 46.289 -60.412 -62.784 1.00 44.22 C ATOM 1767 NZ LYS A 118 45.712 -61.784 -62.826 1.00 43.02 N ATOM 0 H LYS A 118 47.919 -57.870 -68.232 1.00 1.42 H new ATOM 0 HA LYS A 118 49.063 -57.083 -65.639 1.00 35.43 H new ATOM 0 HB2 LYS A 118 46.672 -56.729 -65.364 1.00 74.43 H new ATOM 0 HB3 LYS A 118 46.303 -58.265 -66.122 1.00 74.43 H new ATOM 0 HG2 LYS A 118 48.088 -58.526 -63.790 1.00 41.22 H new ATOM 0 HG3 LYS A 118 46.539 -57.808 -63.397 1.00 41.22 H new ATOM 0 HD2 LYS A 118 45.418 -59.725 -64.624 1.00 22.44 H new ATOM 0 HD3 LYS A 118 46.996 -60.464 -64.812 1.00 22.44 H new ATOM 0 HE2 LYS A 118 47.273 -60.446 -62.317 1.00 44.22 H new ATOM 0 HE3 LYS A 118 45.663 -59.774 -62.161 1.00 44.22 H new ATOM 0 HZ1 LYS A 118 45.757 -62.209 -61.878 1.00 43.02 H new ATOM 0 HZ2 LYS A 118 44.721 -61.734 -63.137 1.00 43.02 H new ATOM 0 HZ3 LYS A 118 46.255 -62.369 -63.493 1.00 43.02 H new ATOM 1781 N THR A 119 49.856 -59.427 -65.275 1.00 3.53 N ATOM 1782 CA THR A 119 50.493 -60.735 -65.195 1.00 70.13 C ATOM 1783 C THR A 119 49.507 -61.799 -64.725 1.00 43.50 C ATOM 1784 O THR A 119 48.734 -61.592 -63.790 1.00 34.12 O ATOM 1785 CB THR A 119 51.702 -60.714 -64.242 1.00 23.55 C ATOM 1786 OG1 THR A 119 52.088 -59.363 -63.969 1.00 3.21 O ATOM 1787 CG2 THR A 119 52.877 -61.472 -64.841 1.00 45.33 C ATOM 0 H THR A 119 50.147 -58.772 -64.549 1.00 3.53 H new ATOM 0 HA THR A 119 50.837 -60.981 -66.200 1.00 70.13 H new ATOM 0 HB THR A 119 51.411 -61.203 -63.312 1.00 23.55 H new ATOM 0 HG1 THR A 119 52.856 -59.359 -63.361 1.00 3.21 H new ATOM 0 HG21 THR A 119 53.719 -61.443 -64.150 1.00 45.33 H new ATOM 0 HG22 THR A 119 52.589 -62.508 -65.019 1.00 45.33 H new ATOM 0 HG23 THR A 119 53.166 -61.009 -65.784 1.00 45.33 H new