USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 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 17:sc= -1.96! USER MOD Set 1.2: A 83 SER OG : rot -63:sc= -0.207 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -95:sc= 0.231 USER MOD Single : A 39 LYS NZ :NH3+ 147:sc= 0.582 (180deg=-0.111) USER MOD Single : A 45 SER OG : rot 180:sc= -1.12! USER MOD Single : A 48 HIS : no HD1:sc=-0.00173 X(o=-0.0017,f=-0.015) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.43 K(o=-2.4,f=-1.6) USER MOD Single : A 55 SER OG : rot 132:sc= 0.225 USER MOD Single : A 56 HIS : no HE2:sc= -0.343 K(o=-0.34,f=-1.8) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -0.764 K(o=-0.76,f=-3.1!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -121:sc= -0.3 (180deg=-1.27) USER MOD Single : A 90 THR OG1 : rot 150:sc= -3.79! USER MOD Single : A 93 LYS NZ :NH3+ -140:sc= -2.42! (180deg=-5.75!) USER MOD Single : A 95 HIS : no HD1:sc= -1.85 X(o=-1.9,f=-1.6) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 58:sc= 0.706 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl -141:sc= 0 (180deg=-0.0587) USER MOD Single : A 116 THR OG1 : rot 129:sc= -0.944 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.703 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -29:sc= -1.9 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 38.828 -35.498 -69.494 1.00 24.04 N ATOM 472 CA ALA A 33 37.408 -35.819 -69.432 1.00 71.45 C ATOM 473 C ALA A 33 36.997 -36.226 -68.021 1.00 42.42 C ATOM 474 O ALA A 33 37.843 -36.412 -67.148 1.00 30.44 O ATOM 475 CB ALA A 33 37.075 -36.927 -70.421 1.00 35.22 C ATOM 0 HA ALA A 33 36.846 -34.924 -69.701 1.00 71.45 H new ATOM 0 HB1 ALA A 33 36.011 -37.157 -70.365 1.00 35.22 H new ATOM 0 HB2 ALA A 33 37.322 -36.600 -71.431 1.00 35.22 H new ATOM 0 HB3 ALA A 33 37.653 -37.818 -70.177 1.00 35.22 H new ATOM 481 N GLY A 34 35.692 -36.360 -67.805 1.00 61.21 N ATOM 482 CA GLY A 34 35.192 -36.743 -66.497 1.00 43.44 C ATOM 483 C GLY A 34 35.711 -38.095 -66.051 1.00 70.23 C ATOM 484 O GLY A 34 36.036 -38.287 -64.880 1.00 70.30 O ATOM 0 H GLY A 34 34.972 -36.210 -68.512 1.00 61.21 H new ATOM 0 HA2 GLY A 34 35.480 -35.988 -65.766 1.00 43.44 H new ATOM 0 HA3 GLY A 34 34.102 -36.765 -66.520 1.00 43.44 H new ATOM 488 N ALA A 35 35.787 -39.036 -66.987 1.00 3.10 N ATOM 489 CA ALA A 35 36.270 -40.377 -66.684 1.00 22.41 C ATOM 490 C ALA A 35 37.704 -40.341 -66.165 1.00 53.32 C ATOM 491 O ALA A 35 38.135 -41.239 -65.442 1.00 30.02 O ATOM 492 CB ALA A 35 36.176 -41.263 -67.917 1.00 73.52 C ATOM 0 H ALA A 35 35.520 -38.894 -67.961 1.00 3.10 H new ATOM 0 HA ALA A 35 35.638 -40.795 -65.900 1.00 22.41 H new ATOM 0 HB1 ALA A 35 36.540 -42.262 -67.676 1.00 73.52 H new ATOM 0 HB2 ALA A 35 35.138 -41.324 -68.243 1.00 73.52 H new ATOM 0 HB3 ALA A 35 36.783 -40.839 -68.717 1.00 73.52 H new ATOM 498 N ILE A 36 38.437 -39.298 -66.540 1.00 11.34 N ATOM 499 CA ILE A 36 39.822 -39.145 -66.111 1.00 53.13 C ATOM 500 C ILE A 36 39.949 -39.297 -64.599 1.00 45.04 C ATOM 501 O ILE A 36 40.975 -39.754 -64.094 1.00 71.55 O ATOM 502 CB ILE A 36 40.392 -37.777 -66.528 1.00 43.44 C ATOM 503 CG1 ILE A 36 41.894 -37.887 -66.798 1.00 44.41 C ATOM 504 CG2 ILE A 36 40.117 -36.737 -65.452 1.00 34.40 C ATOM 505 CD1 ILE A 36 42.259 -37.728 -68.257 1.00 65.14 C ATOM 0 H ILE A 36 38.095 -38.547 -67.140 1.00 11.34 H new ATOM 0 HA ILE A 36 40.394 -39.933 -66.602 1.00 53.13 H new ATOM 0 HB ILE A 36 39.898 -37.460 -67.447 1.00 43.44 H new ATOM 0 HG12 ILE A 36 42.416 -37.127 -66.216 1.00 44.41 H new ATOM 0 HG13 ILE A 36 42.248 -38.856 -66.447 1.00 44.41 H new ATOM 0 HG21 ILE A 36 40.526 -35.776 -65.762 1.00 34.40 H new ATOM 0 HG22 ILE A 36 39.041 -36.643 -65.304 1.00 34.40 H new ATOM 0 HG23 ILE A 36 40.586 -37.047 -64.518 1.00 34.40 H new ATOM 0 HD11 ILE A 36 43.339 -37.817 -68.374 1.00 65.14 H new ATOM 0 HD12 ILE A 36 41.765 -38.504 -68.842 1.00 65.14 H new ATOM 0 HD13 ILE A 36 41.936 -36.748 -68.608 1.00 65.14 H new ATOM 517 N LYS A 37 38.900 -38.912 -63.881 1.00 3.21 N ATOM 518 CA LYS A 37 38.892 -39.007 -62.426 1.00 20.50 C ATOM 519 C LYS A 37 38.921 -40.465 -61.976 1.00 42.24 C ATOM 520 O LYS A 37 39.583 -40.809 -60.997 1.00 53.00 O ATOM 521 CB LYS A 37 37.654 -38.311 -61.856 1.00 22.44 C ATOM 522 CG LYS A 37 37.978 -37.096 -61.004 1.00 61.10 C ATOM 523 CD LYS A 37 38.462 -37.497 -59.621 1.00 31.44 C ATOM 524 CE LYS A 37 38.692 -36.282 -58.736 1.00 52.41 C ATOM 525 NZ LYS A 37 37.953 -36.386 -57.447 1.00 44.32 N ATOM 0 H LYS A 37 38.044 -38.531 -64.283 1.00 3.21 H new ATOM 0 HA LYS A 37 39.786 -38.511 -62.049 1.00 20.50 H new ATOM 0 HB2 LYS A 37 37.008 -38.005 -62.679 1.00 22.44 H new ATOM 0 HB3 LYS A 37 37.090 -39.025 -61.256 1.00 22.44 H new ATOM 0 HG2 LYS A 37 38.743 -36.497 -61.499 1.00 61.10 H new ATOM 0 HG3 LYS A 37 37.092 -36.468 -60.912 1.00 61.10 H new ATOM 0 HD2 LYS A 37 37.728 -38.154 -59.154 1.00 31.44 H new ATOM 0 HD3 LYS A 37 39.388 -38.065 -59.709 1.00 31.44 H new ATOM 0 HE2 LYS A 37 39.758 -36.175 -58.536 1.00 52.41 H new ATOM 0 HE3 LYS A 37 38.375 -35.383 -59.264 1.00 52.41 H new ATOM 0 HZ1 LYS A 37 38.136 -35.539 -56.873 1.00 44.32 H new ATOM 0 HZ2 LYS A 37 36.933 -36.462 -57.637 1.00 44.32 H new ATOM 0 HZ3 LYS A 37 38.273 -37.230 -56.930 1.00 44.32 H new ATOM 539 N SER A 38 38.201 -41.317 -62.699 1.00 41.20 N ATOM 540 CA SER A 38 38.143 -42.737 -62.373 1.00 11.13 C ATOM 541 C SER A 38 39.510 -43.391 -62.546 1.00 45.42 C ATOM 542 O SER A 38 39.980 -44.117 -61.670 1.00 45.12 O ATOM 543 CB SER A 38 37.112 -43.443 -63.255 1.00 51.25 C ATOM 544 OG SER A 38 35.795 -43.032 -62.930 1.00 63.12 O ATOM 0 H SER A 38 37.650 -41.049 -63.514 1.00 41.20 H new ATOM 0 HA SER A 38 37.844 -42.832 -61.329 1.00 11.13 H new ATOM 0 HB2 SER A 38 37.316 -43.225 -64.303 1.00 51.25 H new ATOM 0 HB3 SER A 38 37.201 -44.522 -63.131 1.00 51.25 H new ATOM 0 HG SER A 38 35.399 -43.670 -62.301 1.00 63.12 H new ATOM 550 N LYS A 39 40.145 -43.127 -63.683 1.00 60.35 N ATOM 551 CA LYS A 39 41.459 -43.687 -63.974 1.00 64.53 C ATOM 552 C LYS A 39 42.498 -43.186 -62.975 1.00 74.24 C ATOM 553 O LYS A 39 43.453 -43.891 -62.652 1.00 24.43 O ATOM 554 CB LYS A 39 41.888 -43.323 -65.398 1.00 22.55 C ATOM 555 CG LYS A 39 42.155 -41.841 -65.592 1.00 52.10 C ATOM 556 CD LYS A 39 42.837 -41.567 -66.922 1.00 12.31 C ATOM 557 CE LYS A 39 44.137 -40.800 -66.734 1.00 11.11 C ATOM 558 NZ LYS A 39 45.199 -41.273 -67.664 1.00 41.44 N ATOM 0 H LYS A 39 39.770 -42.528 -64.419 1.00 60.35 H new ATOM 0 HA LYS A 39 41.391 -44.771 -63.888 1.00 64.53 H new ATOM 0 HB2 LYS A 39 42.789 -43.882 -65.651 1.00 22.55 H new ATOM 0 HB3 LYS A 39 41.111 -43.638 -66.094 1.00 22.55 H new ATOM 0 HG2 LYS A 39 41.215 -41.292 -65.544 1.00 52.10 H new ATOM 0 HG3 LYS A 39 42.781 -41.473 -64.779 1.00 52.10 H new ATOM 0 HD2 LYS A 39 43.040 -42.510 -67.429 1.00 12.31 H new ATOM 0 HD3 LYS A 39 42.167 -40.997 -67.565 1.00 12.31 H new ATOM 0 HE2 LYS A 39 43.958 -39.737 -66.897 1.00 11.11 H new ATOM 0 HE3 LYS A 39 44.479 -40.912 -65.705 1.00 11.11 H new ATOM 0 HZ1 LYS A 39 45.810 -40.474 -67.929 1.00 41.44 H new ATOM 0 HZ2 LYS A 39 45.770 -42.005 -67.195 1.00 41.44 H new ATOM 0 HZ3 LYS A 39 44.760 -41.671 -68.519 1.00 41.44 H new ATOM 572 N VAL A 40 42.303 -41.965 -62.489 1.00 13.40 N ATOM 573 CA VAL A 40 43.221 -41.370 -61.525 1.00 33.23 C ATOM 574 C VAL A 40 43.271 -42.187 -60.238 1.00 42.14 C ATOM 575 O VAL A 40 44.338 -42.381 -59.657 1.00 61.52 O ATOM 576 CB VAL A 40 42.818 -39.923 -61.185 1.00 45.34 C ATOM 577 CG1 VAL A 40 43.538 -39.448 -59.932 1.00 33.42 C ATOM 578 CG2 VAL A 40 43.111 -39.000 -62.359 1.00 14.11 C ATOM 0 H VAL A 40 41.517 -41.368 -62.747 1.00 13.40 H new ATOM 0 HA VAL A 40 44.207 -41.365 -61.989 1.00 33.23 H new ATOM 0 HB VAL A 40 41.746 -39.899 -60.990 1.00 45.34 H new ATOM 0 HG11 VAL A 40 43.241 -38.424 -59.708 1.00 33.42 H new ATOM 0 HG12 VAL A 40 43.275 -40.094 -59.094 1.00 33.42 H new ATOM 0 HG13 VAL A 40 44.615 -39.486 -60.095 1.00 33.42 H new ATOM 0 HG21 VAL A 40 42.820 -37.981 -62.102 1.00 14.11 H new ATOM 0 HG22 VAL A 40 44.177 -39.027 -62.586 1.00 14.11 H new ATOM 0 HG23 VAL A 40 42.546 -39.330 -63.231 1.00 14.11 H new ATOM 588 N GLU A 41 42.110 -42.663 -59.800 1.00 51.20 N ATOM 589 CA GLU A 41 42.022 -43.459 -58.581 1.00 44.24 C ATOM 590 C GLU A 41 42.922 -44.688 -58.669 1.00 72.50 C ATOM 591 O GLU A 41 43.466 -45.145 -57.664 1.00 63.24 O ATOM 592 CB GLU A 41 40.576 -43.888 -58.329 1.00 73.51 C ATOM 593 CG GLU A 41 39.565 -42.772 -58.532 1.00 61.20 C ATOM 594 CD GLU A 41 40.004 -41.466 -57.900 1.00 43.42 C ATOM 595 OE1 GLU A 41 40.708 -41.513 -56.869 1.00 51.14 O ATOM 596 OE2 GLU A 41 39.645 -40.396 -58.436 1.00 33.53 O ATOM 0 H GLU A 41 41.218 -42.512 -60.271 1.00 51.20 H new ATOM 0 HA GLU A 41 42.360 -42.842 -57.748 1.00 44.24 H new ATOM 0 HB2 GLU A 41 40.330 -44.715 -58.995 1.00 73.51 H new ATOM 0 HB3 GLU A 41 40.490 -44.264 -57.309 1.00 73.51 H new ATOM 0 HG2 GLU A 41 39.407 -42.620 -59.600 1.00 61.20 H new ATOM 0 HG3 GLU A 41 38.607 -43.073 -58.108 1.00 61.20 H new ATOM 603 N ALA A 42 43.072 -45.220 -59.878 1.00 51.51 N ATOM 604 CA ALA A 42 43.906 -46.395 -60.098 1.00 54.31 C ATOM 605 C ALA A 42 45.386 -46.034 -60.051 1.00 44.12 C ATOM 606 O ALA A 42 46.240 -46.900 -59.862 1.00 2.31 O ATOM 607 CB ALA A 42 43.561 -47.045 -61.430 1.00 14.31 C ATOM 0 H ALA A 42 42.627 -44.856 -60.720 1.00 51.51 H new ATOM 0 HA ALA A 42 43.707 -47.107 -59.297 1.00 54.31 H new ATOM 0 HB1 ALA A 42 44.191 -47.921 -61.581 1.00 14.31 H new ATOM 0 HB2 ALA A 42 42.514 -47.348 -61.427 1.00 14.31 H new ATOM 0 HB3 ALA A 42 43.730 -46.332 -62.237 1.00 14.31 H new ATOM 613 N ALA A 43 45.684 -44.750 -60.225 1.00 72.45 N ATOM 614 CA ALA A 43 47.062 -44.275 -60.202 1.00 34.44 C ATOM 615 C ALA A 43 47.726 -44.585 -58.865 1.00 20.25 C ATOM 616 O ALA A 43 48.953 -44.644 -58.768 1.00 34.41 O ATOM 617 CB ALA A 43 47.110 -42.781 -60.483 1.00 54.13 C ATOM 0 H ALA A 43 44.989 -44.020 -60.383 1.00 72.45 H new ATOM 0 HA ALA A 43 47.614 -44.798 -60.983 1.00 34.44 H new ATOM 0 HB1 ALA A 43 48.145 -42.440 -60.463 1.00 54.13 H new ATOM 0 HB2 ALA A 43 46.681 -42.582 -61.465 1.00 54.13 H new ATOM 0 HB3 ALA A 43 46.538 -42.249 -59.723 1.00 54.13 H new ATOM 623 N LEU A 44 46.910 -44.782 -57.835 1.00 53.41 N ATOM 624 CA LEU A 44 47.419 -45.085 -56.502 1.00 54.00 C ATOM 625 C LEU A 44 48.269 -46.351 -56.519 1.00 32.31 C ATOM 626 O LEU A 44 49.075 -46.582 -55.618 1.00 0.33 O ATOM 627 CB LEU A 44 46.260 -45.248 -55.517 1.00 73.21 C ATOM 628 CG LEU A 44 45.704 -43.957 -54.915 1.00 74.31 C ATOM 629 CD1 LEU A 44 46.733 -43.306 -54.005 1.00 43.43 C ATOM 630 CD2 LEU A 44 45.277 -42.996 -56.015 1.00 61.33 C ATOM 0 H LEU A 44 45.893 -44.737 -57.898 1.00 53.41 H new ATOM 0 HA LEU A 44 48.046 -44.253 -56.181 1.00 54.00 H new ATOM 0 HB2 LEU A 44 45.448 -45.767 -56.025 1.00 73.21 H new ATOM 0 HB3 LEU A 44 46.590 -45.893 -54.702 1.00 73.21 H new ATOM 0 HG LEU A 44 44.827 -44.206 -54.317 1.00 74.31 H new ATOM 0 HD11 LEU A 44 46.319 -42.389 -53.586 1.00 43.43 H new ATOM 0 HD12 LEU A 44 46.989 -43.991 -53.197 1.00 43.43 H new ATOM 0 HD13 LEU A 44 47.629 -43.071 -54.579 1.00 43.43 H new ATOM 0 HD21 LEU A 44 44.884 -42.083 -55.568 1.00 61.33 H new ATOM 0 HD22 LEU A 44 46.136 -42.753 -56.640 1.00 61.33 H new ATOM 0 HD23 LEU A 44 44.504 -43.463 -56.626 1.00 61.33 H new ATOM 642 N SER A 45 48.084 -47.168 -57.551 1.00 62.11 N ATOM 643 CA SER A 45 48.833 -48.412 -57.685 1.00 21.21 C ATOM 644 C SER A 45 49.863 -48.308 -58.805 1.00 64.34 C ATOM 645 O SER A 45 49.814 -47.412 -59.648 1.00 1.55 O ATOM 646 CB SER A 45 47.881 -49.578 -57.959 1.00 22.25 C ATOM 647 OG SER A 45 48.030 -50.058 -59.284 1.00 0.14 O ATOM 0 H SER A 45 47.422 -46.991 -58.306 1.00 62.11 H new ATOM 0 HA SER A 45 49.359 -48.594 -56.747 1.00 21.21 H new ATOM 0 HB2 SER A 45 48.076 -50.385 -57.253 1.00 22.25 H new ATOM 0 HB3 SER A 45 46.852 -49.257 -57.799 1.00 22.25 H new ATOM 0 HG SER A 45 47.412 -50.804 -59.433 1.00 0.14 H new ATOM 653 N PRO A 46 50.821 -49.248 -58.817 1.00 14.22 N ATOM 654 CA PRO A 46 51.881 -49.285 -59.828 1.00 3.00 C ATOM 655 C PRO A 46 51.354 -49.666 -61.207 1.00 42.33 C ATOM 656 O PRO A 46 52.090 -49.637 -62.195 1.00 32.34 O ATOM 657 CB PRO A 46 52.834 -50.362 -59.303 1.00 72.34 C ATOM 658 CG PRO A 46 51.981 -51.243 -58.457 1.00 54.03 C ATOM 659 CD PRO A 46 50.941 -50.347 -57.844 1.00 13.41 C ATOM 0 HA PRO A 46 52.350 -48.310 -59.963 1.00 3.00 H new ATOM 0 HB2 PRO A 46 53.290 -50.920 -60.121 1.00 72.34 H new ATOM 0 HB3 PRO A 46 53.647 -49.923 -58.724 1.00 72.34 H new ATOM 0 HG2 PRO A 46 51.517 -52.028 -59.055 1.00 54.03 H new ATOM 0 HG3 PRO A 46 52.573 -51.737 -57.687 1.00 54.03 H new ATOM 0 HD2 PRO A 46 49.993 -50.867 -57.706 1.00 13.41 H new ATOM 0 HD3 PRO A 46 51.251 -49.984 -56.864 1.00 13.41 H new ATOM 667 N THR A 47 50.075 -50.022 -61.269 1.00 71.04 N ATOM 668 CA THR A 47 49.450 -50.409 -62.528 1.00 35.14 C ATOM 669 C THR A 47 49.562 -49.296 -63.563 1.00 12.32 C ATOM 670 O THR A 47 50.189 -48.265 -63.315 1.00 61.25 O ATOM 671 CB THR A 47 47.963 -50.764 -62.331 1.00 5.53 C ATOM 672 OG1 THR A 47 47.443 -51.369 -63.519 1.00 54.13 O ATOM 673 CG2 THR A 47 47.152 -49.523 -61.990 1.00 12.11 C ATOM 0 H THR A 47 49.452 -50.050 -60.462 1.00 71.04 H new ATOM 0 HA THR A 47 49.982 -51.290 -62.887 1.00 35.14 H new ATOM 0 HB THR A 47 47.886 -51.468 -61.502 1.00 5.53 H new ATOM 0 HG1 THR A 47 48.185 -51.663 -64.088 1.00 54.13 H new ATOM 0 HG21 THR A 47 46.106 -49.798 -61.855 1.00 12.11 H new ATOM 0 HG22 THR A 47 47.533 -49.081 -61.069 1.00 12.11 H new ATOM 0 HG23 THR A 47 47.236 -48.799 -62.801 1.00 12.11 H new ATOM 681 N HIS A 48 48.950 -49.509 -64.723 1.00 54.03 N ATOM 682 CA HIS A 48 48.980 -48.522 -65.797 1.00 1.35 C ATOM 683 C HIS A 48 47.571 -48.224 -66.301 1.00 63.00 C ATOM 684 O HIS A 48 46.809 -49.137 -66.619 1.00 32.04 O ATOM 685 CB HIS A 48 49.853 -49.017 -66.950 1.00 22.54 C ATOM 686 CG HIS A 48 50.386 -47.916 -67.814 1.00 74.41 C ATOM 687 ND1 HIS A 48 50.137 -47.835 -69.168 1.00 35.21 N ATOM 688 CD2 HIS A 48 51.157 -46.846 -67.510 1.00 74.31 C ATOM 689 CE1 HIS A 48 50.733 -46.764 -69.660 1.00 13.25 C ATOM 690 NE2 HIS A 48 51.358 -46.146 -68.674 1.00 3.11 N ATOM 0 H HIS A 48 48.427 -50.356 -64.944 1.00 54.03 H new ATOM 0 HA HIS A 48 49.406 -47.601 -65.399 1.00 1.35 H new ATOM 0 HB2 HIS A 48 50.689 -49.586 -66.543 1.00 22.54 H new ATOM 0 HB3 HIS A 48 49.272 -49.702 -67.567 1.00 22.54 H new ATOM 0 HD2 HIS A 48 51.542 -46.590 -66.534 1.00 74.31 H new ATOM 0 HE1 HIS A 48 50.713 -46.448 -70.692 1.00 13.25 H new ATOM 0 HE2 HIS A 48 51.902 -45.288 -68.763 1.00 3.11 H new ATOM 698 N PHE A 49 47.232 -46.941 -66.372 1.00 20.15 N ATOM 699 CA PHE A 49 45.914 -46.523 -66.836 1.00 23.24 C ATOM 700 C PHE A 49 46.032 -45.590 -68.037 1.00 55.12 C ATOM 701 O PHE A 49 46.747 -44.589 -67.993 1.00 62.03 O ATOM 702 CB PHE A 49 45.150 -45.827 -65.708 1.00 31.14 C ATOM 703 CG PHE A 49 45.938 -44.743 -65.029 1.00 60.14 C ATOM 704 CD1 PHE A 49 46.910 -45.057 -64.093 1.00 72.41 C ATOM 705 CD2 PHE A 49 45.708 -43.410 -65.329 1.00 35.14 C ATOM 706 CE1 PHE A 49 47.636 -44.062 -63.467 1.00 52.21 C ATOM 707 CE2 PHE A 49 46.431 -42.410 -64.706 1.00 73.11 C ATOM 708 CZ PHE A 49 47.397 -42.737 -63.775 1.00 12.42 C ATOM 0 H PHE A 49 47.852 -46.173 -66.114 1.00 20.15 H new ATOM 0 HA PHE A 49 45.364 -47.413 -67.142 1.00 23.24 H new ATOM 0 HB2 PHE A 49 44.232 -45.399 -66.112 1.00 31.14 H new ATOM 0 HB3 PHE A 49 44.856 -46.570 -64.967 1.00 31.14 H new ATOM 0 HD1 PHE A 49 47.102 -46.092 -63.850 1.00 72.41 H new ATOM 0 HD2 PHE A 49 44.955 -43.149 -66.058 1.00 35.14 H new ATOM 0 HE1 PHE A 49 48.390 -44.320 -62.738 1.00 52.21 H new ATOM 0 HE2 PHE A 49 46.241 -41.375 -64.947 1.00 73.11 H new ATOM 0 HZ PHE A 49 47.965 -41.958 -63.288 1.00 12.42 H new ATOM 718 N LYS A 50 45.324 -45.925 -69.110 1.00 72.45 N ATOM 719 CA LYS A 50 45.346 -45.119 -70.325 1.00 63.11 C ATOM 720 C LYS A 50 43.934 -44.711 -70.733 1.00 44.22 C ATOM 721 O LYS A 50 43.110 -45.556 -71.084 1.00 53.21 O ATOM 722 CB LYS A 50 46.014 -45.893 -71.464 1.00 31.53 C ATOM 723 CG LYS A 50 46.001 -45.155 -72.791 1.00 74.31 C ATOM 724 CD LYS A 50 45.375 -45.997 -73.891 1.00 10.31 C ATOM 725 CE LYS A 50 45.840 -45.549 -75.268 1.00 54.41 C ATOM 726 NZ LYS A 50 47.122 -46.196 -75.659 1.00 23.33 N ATOM 0 H LYS A 50 44.727 -46.750 -69.163 1.00 72.45 H new ATOM 0 HA LYS A 50 45.922 -44.216 -70.121 1.00 63.11 H new ATOM 0 HB2 LYS A 50 47.046 -46.109 -71.188 1.00 31.53 H new ATOM 0 HB3 LYS A 50 45.509 -46.851 -71.586 1.00 31.53 H new ATOM 0 HG2 LYS A 50 45.446 -44.223 -72.685 1.00 74.31 H new ATOM 0 HG3 LYS A 50 47.020 -44.889 -73.071 1.00 74.31 H new ATOM 0 HD2 LYS A 50 45.635 -47.045 -73.741 1.00 10.31 H new ATOM 0 HD3 LYS A 50 44.289 -45.926 -73.832 1.00 10.31 H new ATOM 0 HE2 LYS A 50 45.073 -45.787 -76.005 1.00 54.41 H new ATOM 0 HE3 LYS A 50 45.963 -44.466 -75.275 1.00 54.41 H new ATOM 0 HZ1 LYS A 50 47.404 -45.864 -76.603 1.00 23.33 H new ATOM 0 HZ2 LYS A 50 47.860 -45.948 -74.970 1.00 23.33 H new ATOM 0 HZ3 LYS A 50 46.998 -47.228 -75.678 1.00 23.33 H new ATOM 740 N LEU A 51 43.663 -43.411 -70.687 1.00 34.34 N ATOM 741 CA LEU A 51 42.350 -42.891 -71.053 1.00 42.53 C ATOM 742 C LEU A 51 42.474 -41.793 -72.106 1.00 22.52 C ATOM 743 O LEU A 51 43.120 -40.771 -71.877 1.00 3.52 O ATOM 744 CB LEU A 51 41.631 -42.348 -69.817 1.00 3.11 C ATOM 745 CG LEU A 51 40.209 -41.833 -70.039 1.00 51.15 C ATOM 746 CD1 LEU A 51 39.245 -42.487 -69.062 1.00 21.41 C ATOM 747 CD2 LEU A 51 40.163 -40.318 -69.903 1.00 52.03 C ATOM 0 H LEU A 51 44.334 -42.698 -70.400 1.00 34.34 H new ATOM 0 HA LEU A 51 41.767 -43.710 -71.474 1.00 42.53 H new ATOM 0 HB2 LEU A 51 41.597 -43.137 -69.066 1.00 3.11 H new ATOM 0 HB3 LEU A 51 42.229 -41.537 -69.401 1.00 3.11 H new ATOM 0 HG LEU A 51 39.902 -42.097 -71.051 1.00 51.15 H new ATOM 0 HD11 LEU A 51 38.238 -42.108 -69.236 1.00 21.41 H new ATOM 0 HD12 LEU A 51 39.256 -43.567 -69.208 1.00 21.41 H new ATOM 0 HD13 LEU A 51 39.549 -42.256 -68.041 1.00 21.41 H new ATOM 0 HD21 LEU A 51 39.143 -39.969 -70.064 1.00 52.03 H new ATOM 0 HD22 LEU A 51 40.491 -40.032 -68.903 1.00 52.03 H new ATOM 0 HD23 LEU A 51 40.822 -39.866 -70.644 1.00 52.03 H new ATOM 759 N ILE A 52 41.850 -42.013 -73.258 1.00 12.11 N ATOM 760 CA ILE A 52 41.888 -41.041 -74.344 1.00 31.31 C ATOM 761 C ILE A 52 40.481 -40.678 -74.806 1.00 12.44 C ATOM 762 O ILE A 52 39.759 -41.514 -75.347 1.00 13.24 O ATOM 763 CB ILE A 52 42.689 -41.573 -75.547 1.00 5.32 C ATOM 764 CG1 ILE A 52 42.178 -42.955 -75.958 1.00 55.54 C ATOM 765 CG2 ILE A 52 44.172 -41.629 -75.212 1.00 24.43 C ATOM 766 CD1 ILE A 52 41.747 -43.033 -77.406 1.00 44.05 C ATOM 0 H ILE A 52 41.312 -42.855 -73.464 1.00 12.11 H new ATOM 0 HA ILE A 52 42.381 -40.151 -73.954 1.00 31.31 H new ATOM 0 HB ILE A 52 42.551 -40.892 -76.386 1.00 5.32 H new ATOM 0 HG12 ILE A 52 42.962 -43.691 -75.780 1.00 55.54 H new ATOM 0 HG13 ILE A 52 41.336 -43.226 -75.321 1.00 55.54 H new ATOM 0 HG21 ILE A 52 44.725 -42.007 -76.072 1.00 24.43 H new ATOM 0 HG22 ILE A 52 44.527 -40.629 -74.963 1.00 24.43 H new ATOM 0 HG23 ILE A 52 44.328 -42.291 -74.361 1.00 24.43 H new ATOM 0 HD11 ILE A 52 41.396 -44.041 -77.627 1.00 44.05 H new ATOM 0 HD12 ILE A 52 40.941 -42.321 -77.585 1.00 44.05 H new ATOM 0 HD13 ILE A 52 42.593 -42.793 -78.051 1.00 44.05 H new ATOM 778 N ASN A 53 40.099 -39.423 -74.589 1.00 72.15 N ATOM 779 CA ASN A 53 38.778 -38.947 -74.985 1.00 30.52 C ATOM 780 C ASN A 53 38.878 -37.974 -76.155 1.00 61.24 C ATOM 781 O ASN A 53 39.567 -36.957 -76.073 1.00 53.10 O ATOM 782 CB ASN A 53 38.082 -38.271 -73.802 1.00 52.43 C ATOM 783 CG ASN A 53 37.434 -36.955 -74.189 1.00 4.24 C ATOM 784 OD1 ASN A 53 38.090 -35.913 -74.218 1.00 55.12 O ATOM 785 ND2 ASN A 53 36.141 -36.997 -74.487 1.00 21.01 N ATOM 0 H ASN A 53 40.685 -38.718 -74.142 1.00 72.15 H new ATOM 0 HA ASN A 53 38.189 -39.807 -75.302 1.00 30.52 H new ATOM 0 HB2 ASN A 53 37.324 -38.942 -73.398 1.00 52.43 H new ATOM 0 HB3 ASN A 53 38.808 -38.096 -73.008 1.00 52.43 H new ATOM 0 HD21 ASN A 53 35.651 -36.143 -74.754 1.00 21.01 H new ATOM 0 HD22 ASN A 53 35.638 -37.883 -74.449 1.00 21.01 H new ATOM 792 N ASP A 54 38.186 -38.293 -77.244 1.00 24.34 N ATOM 793 CA ASP A 54 38.196 -37.447 -78.431 1.00 55.20 C ATOM 794 C ASP A 54 36.864 -36.720 -78.590 1.00 51.24 C ATOM 795 O ASP A 54 36.824 -35.560 -79.000 1.00 12.44 O ATOM 796 CB ASP A 54 38.486 -38.284 -79.678 1.00 3.52 C ATOM 797 CG ASP A 54 39.806 -37.916 -80.327 1.00 40.31 C ATOM 798 OD1 ASP A 54 40.031 -36.712 -80.574 1.00 71.25 O ATOM 799 OD2 ASP A 54 40.614 -38.831 -80.587 1.00 63.21 O ATOM 0 H ASP A 54 37.611 -39.131 -77.329 1.00 24.34 H new ATOM 0 HA ASP A 54 38.984 -36.704 -78.311 1.00 55.20 H new ATOM 0 HB2 ASP A 54 38.499 -39.340 -79.409 1.00 3.52 H new ATOM 0 HB3 ASP A 54 37.680 -38.149 -80.399 1.00 3.52 H new ATOM 804 N SER A 55 35.776 -37.411 -78.265 1.00 52.53 N ATOM 805 CA SER A 55 34.442 -36.832 -78.377 1.00 73.50 C ATOM 806 C SER A 55 34.231 -36.216 -79.756 1.00 53.44 C ATOM 807 O SER A 55 35.025 -36.429 -80.673 1.00 4.43 O ATOM 808 CB SER A 55 34.230 -35.773 -77.294 1.00 54.21 C ATOM 809 OG SER A 55 32.851 -35.504 -77.107 1.00 10.13 O ATOM 0 H SER A 55 35.792 -38.372 -77.922 1.00 52.53 H new ATOM 0 HA SER A 55 33.713 -37.631 -78.241 1.00 73.50 H new ATOM 0 HB2 SER A 55 34.668 -36.115 -76.356 1.00 54.21 H new ATOM 0 HB3 SER A 55 34.748 -34.855 -77.572 1.00 54.21 H new ATOM 0 HG SER A 55 32.640 -35.527 -76.150 1.00 10.13 H new ATOM 815 N HIS A 56 33.153 -35.450 -79.897 1.00 4.54 N ATOM 816 CA HIS A 56 32.837 -34.800 -81.164 1.00 33.23 C ATOM 817 C HIS A 56 32.333 -33.378 -80.935 1.00 31.53 C ATOM 818 O HIS A 56 31.204 -33.173 -80.489 1.00 11.43 O ATOM 819 CB HIS A 56 31.787 -35.609 -81.927 1.00 43.11 C ATOM 820 CG HIS A 56 31.327 -34.951 -83.191 1.00 51.41 C ATOM 821 ND1 HIS A 56 30.438 -33.897 -83.210 1.00 55.02 N ATOM 822 CD2 HIS A 56 31.639 -35.201 -84.484 1.00 41.12 C ATOM 823 CE1 HIS A 56 30.221 -33.529 -84.460 1.00 43.24 C ATOM 824 NE2 HIS A 56 30.939 -34.304 -85.253 1.00 60.11 N ATOM 0 H HIS A 56 32.484 -35.265 -79.150 1.00 4.54 H new ATOM 0 HA HIS A 56 33.750 -34.751 -81.757 1.00 33.23 H new ATOM 0 HB2 HIS A 56 32.199 -36.589 -82.166 1.00 43.11 H new ATOM 0 HB3 HIS A 56 30.926 -35.775 -81.279 1.00 43.11 H new ATOM 0 HD1 HIS A 56 30.014 -33.468 -82.387 1.00 55.02 H new ATOM 0 HD2 HIS A 56 32.313 -35.964 -84.844 1.00 41.12 H new ATOM 0 HE1 HIS A 56 29.568 -32.730 -84.779 1.00 43.24 H new ATOM 1069 N THR A 75 35.137 -45.269 -82.974 1.00 5.41 N ATOM 1070 CA THR A 75 35.256 -44.947 -81.557 1.00 63.33 C ATOM 1071 C THR A 75 36.134 -43.719 -81.344 1.00 32.33 C ATOM 1072 O THR A 75 37.012 -43.422 -82.155 1.00 34.42 O ATOM 1073 CB THR A 75 35.843 -46.128 -80.761 1.00 34.13 C ATOM 1074 OG1 THR A 75 37.268 -46.009 -80.685 1.00 14.40 O ATOM 1075 CG2 THR A 75 35.474 -47.454 -81.408 1.00 74.23 C ATOM 0 HA THR A 75 34.250 -44.738 -81.194 1.00 63.33 H new ATOM 0 HB THR A 75 35.423 -46.103 -79.756 1.00 34.13 H new ATOM 0 HG1 THR A 75 37.633 -46.763 -80.176 1.00 14.40 H new ATOM 0 HG21 THR A 75 35.900 -48.273 -80.828 1.00 74.23 H new ATOM 0 HG22 THR A 75 34.389 -47.555 -81.437 1.00 74.23 H new ATOM 0 HG23 THR A 75 35.868 -47.485 -82.424 1.00 74.23 H new ATOM 1083 N HIS A 76 35.892 -43.008 -80.247 1.00 21.41 N ATOM 1084 CA HIS A 76 36.662 -41.812 -79.926 1.00 43.01 C ATOM 1085 C HIS A 76 37.186 -41.871 -78.494 1.00 52.52 C ATOM 1086 O HIS A 76 38.263 -41.356 -78.195 1.00 3.23 O ATOM 1087 CB HIS A 76 35.804 -40.561 -80.117 1.00 43.01 C ATOM 1088 CG HIS A 76 35.707 -40.113 -81.543 1.00 24.10 C ATOM 1089 ND1 HIS A 76 36.393 -40.724 -82.572 1.00 11.31 N ATOM 1090 CD2 HIS A 76 34.998 -39.109 -82.109 1.00 41.12 C ATOM 1091 CE1 HIS A 76 36.111 -40.113 -83.709 1.00 72.41 C ATOM 1092 NE2 HIS A 76 35.266 -39.130 -83.456 1.00 21.01 N ATOM 0 H HIS A 76 35.169 -43.240 -79.566 1.00 21.41 H new ATOM 0 HA HIS A 76 37.514 -41.766 -80.604 1.00 43.01 H new ATOM 0 HB2 HIS A 76 34.801 -40.757 -79.737 1.00 43.01 H new ATOM 0 HB3 HIS A 76 36.219 -39.751 -79.518 1.00 43.01 H new ATOM 0 HD1 HIS A 76 37.020 -41.522 -82.471 1.00 11.31 H new ATOM 0 HD2 HIS A 76 34.343 -38.419 -81.597 1.00 41.12 H new ATOM 0 HE1 HIS A 76 36.505 -40.373 -84.680 1.00 72.41 H new ATOM 1100 N PHE A 77 36.416 -42.500 -77.613 1.00 74.21 N ATOM 1101 CA PHE A 77 36.801 -42.624 -76.212 1.00 72.41 C ATOM 1102 C PHE A 77 37.092 -44.079 -75.855 1.00 33.11 C ATOM 1103 O PHE A 77 36.329 -44.980 -76.206 1.00 3.14 O ATOM 1104 CB PHE A 77 35.696 -42.076 -75.307 1.00 34.42 C ATOM 1105 CG PHE A 77 35.815 -42.523 -73.878 1.00 32.12 C ATOM 1106 CD1 PHE A 77 36.906 -42.150 -73.110 1.00 42.02 C ATOM 1107 CD2 PHE A 77 34.835 -43.317 -73.302 1.00 45.42 C ATOM 1108 CE1 PHE A 77 37.019 -42.559 -71.795 1.00 12.04 C ATOM 1109 CE2 PHE A 77 34.942 -43.728 -71.987 1.00 64.22 C ATOM 1110 CZ PHE A 77 36.036 -43.350 -71.233 1.00 31.01 C ATOM 0 H PHE A 77 35.521 -42.932 -77.844 1.00 74.21 H new ATOM 0 HA PHE A 77 37.709 -42.042 -76.058 1.00 72.41 H new ATOM 0 HB2 PHE A 77 35.716 -40.987 -75.341 1.00 34.42 H new ATOM 0 HB3 PHE A 77 34.728 -42.390 -75.698 1.00 34.42 H new ATOM 0 HD1 PHE A 77 37.678 -41.532 -73.544 1.00 42.02 H new ATOM 0 HD2 PHE A 77 33.979 -43.618 -73.887 1.00 45.42 H new ATOM 0 HE1 PHE A 77 37.875 -42.261 -71.207 1.00 12.04 H new ATOM 0 HE2 PHE A 77 34.171 -44.344 -71.549 1.00 64.22 H new ATOM 0 HZ PHE A 77 36.123 -43.672 -70.206 1.00 31.01 H new ATOM 1120 N ARG A 78 38.200 -44.300 -75.156 1.00 21.13 N ATOM 1121 CA ARG A 78 38.594 -45.645 -74.752 1.00 55.33 C ATOM 1122 C ARG A 78 39.369 -45.613 -73.438 1.00 73.23 C ATOM 1123 O ARG A 78 40.150 -44.695 -73.188 1.00 44.31 O ATOM 1124 CB ARG A 78 39.444 -46.299 -75.843 1.00 33.12 C ATOM 1125 CG ARG A 78 40.940 -46.135 -75.629 1.00 54.14 C ATOM 1126 CD ARG A 78 41.702 -46.215 -76.943 1.00 12.41 C ATOM 1127 NE ARG A 78 41.838 -47.590 -77.414 1.00 71.31 N ATOM 1128 CZ ARG A 78 42.699 -47.963 -78.354 1.00 23.30 C ATOM 1129 NH1 ARG A 78 43.497 -47.068 -78.920 1.00 20.02 N ATOM 1130 NH2 ARG A 78 42.764 -49.234 -78.729 1.00 63.33 N ATOM 0 H ARG A 78 38.841 -43.565 -74.857 1.00 21.13 H new ATOM 0 HA ARG A 78 37.688 -46.234 -74.605 1.00 55.33 H new ATOM 0 HB2 ARG A 78 39.206 -47.362 -75.889 1.00 33.12 H new ATOM 0 HB3 ARG A 78 39.174 -45.870 -76.808 1.00 33.12 H new ATOM 0 HG2 ARG A 78 41.137 -45.176 -75.150 1.00 54.14 H new ATOM 0 HG3 ARG A 78 41.299 -46.909 -74.951 1.00 54.14 H new ATOM 0 HD2 ARG A 78 41.185 -45.623 -77.698 1.00 12.41 H new ATOM 0 HD3 ARG A 78 42.692 -45.776 -76.815 1.00 12.41 H new ATOM 0 HE ARG A 78 41.239 -48.303 -76.998 1.00 71.31 H new ATOM 0 HH11 ARG A 78 43.451 -46.090 -78.634 1.00 20.02 H new ATOM 0 HH12 ARG A 78 44.157 -47.357 -79.642 1.00 20.02 H new ATOM 0 HH21 ARG A 78 42.152 -49.926 -78.295 1.00 63.33 H new ATOM 0 HH22 ARG A 78 43.426 -49.520 -79.451 1.00 63.33 H new ATOM 1144 N LEU A 79 39.147 -46.621 -72.602 1.00 74.33 N ATOM 1145 CA LEU A 79 39.824 -46.709 -71.313 1.00 73.41 C ATOM 1146 C LEU A 79 40.435 -48.093 -71.112 1.00 52.54 C ATOM 1147 O LEU A 79 39.724 -49.096 -71.077 1.00 54.00 O ATOM 1148 CB LEU A 79 38.845 -46.402 -70.179 1.00 33.34 C ATOM 1149 CG LEU A 79 39.446 -46.332 -68.774 1.00 55.22 C ATOM 1150 CD1 LEU A 79 39.632 -47.729 -68.203 1.00 1.23 C ATOM 1151 CD2 LEU A 79 40.769 -45.582 -68.798 1.00 5.05 C ATOM 0 H LEU A 79 38.503 -47.389 -72.794 1.00 74.33 H new ATOM 0 HA LEU A 79 40.627 -45.972 -71.301 1.00 73.41 H new ATOM 0 HB2 LEU A 79 38.360 -45.450 -70.393 1.00 33.34 H new ATOM 0 HB3 LEU A 79 38.066 -47.165 -70.182 1.00 33.34 H new ATOM 0 HG LEU A 79 38.755 -45.788 -68.130 1.00 55.22 H new ATOM 0 HD11 LEU A 79 40.061 -47.659 -67.203 1.00 1.23 H new ATOM 0 HD12 LEU A 79 38.666 -48.232 -68.150 1.00 1.23 H new ATOM 0 HD13 LEU A 79 40.303 -48.299 -68.846 1.00 1.23 H new ATOM 0 HD21 LEU A 79 41.183 -45.542 -67.790 1.00 5.05 H new ATOM 0 HD22 LEU A 79 41.468 -46.098 -69.457 1.00 5.05 H new ATOM 0 HD23 LEU A 79 40.606 -44.568 -69.164 1.00 5.05 H new ATOM 1163 N GLU A 80 41.757 -48.136 -70.979 1.00 72.34 N ATOM 1164 CA GLU A 80 42.463 -49.397 -70.781 1.00 14.34 C ATOM 1165 C GLU A 80 43.344 -49.336 -69.536 1.00 73.42 C ATOM 1166 O GLU A 80 43.963 -48.312 -69.249 1.00 15.31 O ATOM 1167 CB GLU A 80 43.315 -49.728 -72.007 1.00 62.31 C ATOM 1168 CG GLU A 80 42.631 -50.663 -72.990 1.00 35.44 C ATOM 1169 CD GLU A 80 43.595 -51.641 -73.633 1.00 54.14 C ATOM 1170 OE1 GLU A 80 44.800 -51.322 -73.708 1.00 30.31 O ATOM 1171 OE2 GLU A 80 43.144 -52.724 -74.063 1.00 5.44 O ATOM 0 H GLU A 80 42.360 -47.314 -71.005 1.00 72.34 H new ATOM 0 HA GLU A 80 41.720 -50.183 -70.642 1.00 14.34 H new ATOM 0 HB2 GLU A 80 43.574 -48.802 -72.520 1.00 62.31 H new ATOM 0 HB3 GLU A 80 44.250 -50.182 -71.677 1.00 62.31 H new ATOM 0 HG2 GLU A 80 41.848 -51.218 -72.473 1.00 35.44 H new ATOM 0 HG3 GLU A 80 42.145 -50.074 -73.767 1.00 35.44 H new ATOM 1178 N VAL A 81 43.395 -50.442 -68.800 1.00 72.33 N ATOM 1179 CA VAL A 81 44.200 -50.517 -67.587 1.00 12.30 C ATOM 1180 C VAL A 81 44.967 -51.832 -67.516 1.00 35.50 C ATOM 1181 O VAL A 81 44.382 -52.912 -67.619 1.00 10.43 O ATOM 1182 CB VAL A 81 43.328 -50.375 -66.325 1.00 52.43 C ATOM 1183 CG1 VAL A 81 41.857 -50.556 -66.669 1.00 62.12 C ATOM 1184 CG2 VAL A 81 43.762 -51.373 -65.263 1.00 4.54 C ATOM 0 H VAL A 81 42.888 -51.299 -69.023 1.00 72.33 H new ATOM 0 HA VAL A 81 44.908 -49.689 -67.626 1.00 12.30 H new ATOM 0 HB VAL A 81 43.462 -49.371 -65.923 1.00 52.43 H new ATOM 0 HG11 VAL A 81 41.257 -50.452 -65.765 1.00 62.12 H new ATOM 0 HG12 VAL A 81 41.557 -49.799 -67.393 1.00 62.12 H new ATOM 0 HG13 VAL A 81 41.702 -51.547 -67.096 1.00 62.12 H new ATOM 0 HG21 VAL A 81 43.135 -51.259 -64.378 1.00 4.54 H new ATOM 0 HG22 VAL A 81 43.659 -52.386 -65.652 1.00 4.54 H new ATOM 0 HG23 VAL A 81 44.803 -51.191 -64.996 1.00 4.54 H new ATOM 1194 N THR A 82 46.281 -51.737 -67.339 1.00 13.41 N ATOM 1195 CA THR A 82 47.129 -52.919 -67.255 1.00 12.25 C ATOM 1196 C THR A 82 47.854 -52.981 -65.915 1.00 50.21 C ATOM 1197 O THR A 82 48.700 -52.138 -65.617 1.00 11.31 O ATOM 1198 CB THR A 82 48.169 -52.946 -68.390 1.00 71.24 C ATOM 1199 OG1 THR A 82 47.507 -52.952 -69.660 1.00 44.43 O ATOM 1200 CG2 THR A 82 49.065 -54.170 -68.274 1.00 73.23 C ATOM 0 H THR A 82 46.781 -50.852 -67.251 1.00 13.41 H new ATOM 0 HA THR A 82 46.474 -53.785 -67.352 1.00 12.25 H new ATOM 0 HB THR A 82 48.788 -52.053 -68.307 1.00 71.24 H new ATOM 0 HG1 THR A 82 48.175 -52.967 -70.377 1.00 44.43 H new ATOM 0 HG21 THR A 82 49.792 -54.167 -69.087 1.00 73.23 H new ATOM 0 HG22 THR A 82 49.589 -54.148 -67.319 1.00 73.23 H new ATOM 0 HG23 THR A 82 48.457 -55.073 -68.334 1.00 73.23 H new ATOM 1208 N SER A 83 47.518 -53.985 -65.111 1.00 40.34 N ATOM 1209 CA SER A 83 48.136 -54.155 -63.801 1.00 53.34 C ATOM 1210 C SER A 83 48.925 -55.459 -63.738 1.00 51.11 C ATOM 1211 O SER A 83 48.350 -56.540 -63.610 1.00 14.21 O ATOM 1212 CB SER A 83 47.069 -54.137 -62.705 1.00 31.20 C ATOM 1213 OG SER A 83 45.827 -53.678 -63.209 1.00 73.33 O ATOM 0 H SER A 83 46.821 -54.693 -65.344 1.00 40.34 H new ATOM 0 HA SER A 83 48.825 -53.326 -63.641 1.00 53.34 H new ATOM 0 HB2 SER A 83 46.950 -55.139 -62.293 1.00 31.20 H new ATOM 0 HB3 SER A 83 47.394 -53.493 -61.888 1.00 31.20 H new ATOM 0 HG SER A 83 45.918 -52.749 -63.508 1.00 73.33 H new ATOM 1219 N ASP A 84 50.246 -55.349 -63.829 1.00 14.40 N ATOM 1220 CA ASP A 84 51.116 -56.518 -63.781 1.00 74.01 C ATOM 1221 C ASP A 84 50.908 -57.400 -65.008 1.00 71.41 C ATOM 1222 O ASP A 84 51.450 -58.502 -65.091 1.00 73.13 O ATOM 1223 CB ASP A 84 50.853 -57.324 -62.508 1.00 1.32 C ATOM 1224 CG ASP A 84 51.988 -57.213 -61.509 1.00 31.24 C ATOM 1225 OD1 ASP A 84 53.157 -57.159 -61.943 1.00 62.10 O ATOM 1226 OD2 ASP A 84 51.707 -57.182 -60.292 1.00 53.30 O ATOM 0 H ASP A 84 50.738 -54.462 -63.936 1.00 14.40 H new ATOM 0 HA ASP A 84 52.149 -56.172 -63.775 1.00 74.01 H new ATOM 0 HB2 ASP A 84 49.930 -56.976 -62.045 1.00 1.32 H new ATOM 0 HB3 ASP A 84 50.703 -58.372 -62.769 1.00 1.32 H new ATOM 1231 N ALA A 85 50.119 -56.908 -65.958 1.00 30.42 N ATOM 1232 CA ALA A 85 49.840 -57.651 -67.180 1.00 64.54 C ATOM 1233 C ALA A 85 49.588 -59.125 -66.882 1.00 34.35 C ATOM 1234 O ALA A 85 50.457 -59.971 -67.096 1.00 11.54 O ATOM 1235 CB ALA A 85 50.992 -57.500 -68.164 1.00 34.33 C ATOM 0 H ALA A 85 49.662 -55.998 -65.904 1.00 30.42 H new ATOM 0 HA ALA A 85 48.936 -57.238 -67.628 1.00 64.54 H new ATOM 0 HB1 ALA A 85 50.770 -58.060 -69.072 1.00 34.33 H new ATOM 0 HB2 ALA A 85 51.124 -56.446 -68.410 1.00 34.33 H new ATOM 0 HB3 ALA A 85 51.907 -57.885 -67.715 1.00 34.33 H new ATOM 1241 N PHE A 86 48.392 -59.427 -66.385 1.00 44.00 N ATOM 1242 CA PHE A 86 48.026 -60.799 -66.055 1.00 31.31 C ATOM 1243 C PHE A 86 46.625 -60.858 -65.454 1.00 33.42 C ATOM 1244 O PHE A 86 46.457 -60.816 -64.235 1.00 31.42 O ATOM 1245 CB PHE A 86 49.038 -61.399 -65.077 1.00 4.11 C ATOM 1246 CG PHE A 86 49.919 -62.447 -65.694 1.00 23.43 C ATOM 1247 CD1 PHE A 86 49.368 -63.530 -66.361 1.00 13.44 C ATOM 1248 CD2 PHE A 86 51.299 -62.351 -65.607 1.00 53.22 C ATOM 1249 CE1 PHE A 86 50.176 -64.496 -66.928 1.00 61.23 C ATOM 1250 CE2 PHE A 86 52.112 -63.314 -66.173 1.00 62.24 C ATOM 1251 CZ PHE A 86 51.550 -64.388 -66.836 1.00 10.22 C ATOM 0 H PHE A 86 47.661 -58.740 -66.202 1.00 44.00 H new ATOM 0 HA PHE A 86 48.033 -61.382 -66.976 1.00 31.31 H new ATOM 0 HB2 PHE A 86 49.663 -60.600 -64.677 1.00 4.11 H new ATOM 0 HB3 PHE A 86 48.502 -61.836 -64.235 1.00 4.11 H new ATOM 0 HD1 PHE A 86 48.294 -63.619 -66.438 1.00 13.44 H new ATOM 0 HD2 PHE A 86 51.744 -61.513 -65.091 1.00 53.22 H new ATOM 0 HE1 PHE A 86 49.734 -65.336 -67.443 1.00 61.23 H new ATOM 0 HE2 PHE A 86 53.186 -63.227 -66.097 1.00 62.24 H new ATOM 0 HZ PHE A 86 52.183 -65.141 -67.281 1.00 10.22 H new ATOM 1261 N LYS A 87 45.620 -60.956 -66.318 1.00 43.42 N ATOM 1262 CA LYS A 87 44.233 -61.021 -65.875 1.00 73.34 C ATOM 1263 C LYS A 87 43.871 -62.434 -65.427 1.00 0.44 C ATOM 1264 O LYS A 87 44.330 -63.416 -66.007 1.00 75.44 O ATOM 1265 CB LYS A 87 43.295 -60.576 -67.000 1.00 62.42 C ATOM 1266 CG LYS A 87 41.832 -60.542 -66.594 1.00 51.44 C ATOM 1267 CD LYS A 87 41.625 -59.737 -65.322 1.00 50.44 C ATOM 1268 CE LYS A 87 40.473 -58.754 -65.466 1.00 11.01 C ATOM 1269 NZ LYS A 87 40.651 -57.559 -64.595 1.00 63.04 N ATOM 0 H LYS A 87 45.741 -60.992 -67.330 1.00 43.42 H new ATOM 0 HA LYS A 87 44.117 -60.348 -65.026 1.00 73.34 H new ATOM 0 HB2 LYS A 87 43.593 -59.584 -67.339 1.00 62.42 H new ATOM 0 HB3 LYS A 87 43.413 -61.251 -67.848 1.00 62.42 H new ATOM 0 HG2 LYS A 87 41.240 -60.109 -67.400 1.00 51.44 H new ATOM 0 HG3 LYS A 87 41.471 -61.560 -66.444 1.00 51.44 H new ATOM 0 HD2 LYS A 87 41.426 -60.413 -64.491 1.00 50.44 H new ATOM 0 HD3 LYS A 87 42.539 -59.195 -65.080 1.00 50.44 H new ATOM 0 HE2 LYS A 87 40.394 -58.437 -66.506 1.00 11.01 H new ATOM 0 HE3 LYS A 87 39.537 -59.252 -65.213 1.00 11.01 H new ATOM 0 HZ1 LYS A 87 39.845 -57.482 -63.942 1.00 63.04 H new ATOM 0 HZ2 LYS A 87 41.531 -57.655 -64.049 1.00 63.04 H new ATOM 0 HZ3 LYS A 87 40.701 -56.704 -65.185 1.00 63.04 H new ATOM 1283 N GLY A 88 43.044 -62.527 -64.389 1.00 42.14 N ATOM 1284 CA GLY A 88 42.634 -63.823 -63.882 1.00 22.12 C ATOM 1285 C GLY A 88 41.219 -63.812 -63.340 1.00 34.32 C ATOM 1286 O GLY A 88 40.448 -64.744 -63.575 1.00 64.24 O ATOM 0 H GLY A 88 42.651 -61.728 -63.891 1.00 42.14 H new ATOM 0 HA2 GLY A 88 42.708 -64.562 -64.680 1.00 22.12 H new ATOM 0 HA3 GLY A 88 43.319 -64.135 -63.094 1.00 22.12 H new ATOM 1290 N LEU A 89 40.874 -62.757 -62.610 1.00 44.34 N ATOM 1291 CA LEU A 89 39.542 -62.629 -62.031 1.00 55.23 C ATOM 1292 C LEU A 89 38.640 -61.781 -62.923 1.00 34.13 C ATOM 1293 O LEU A 89 39.117 -61.032 -63.776 1.00 22.41 O ATOM 1294 CB LEU A 89 39.628 -62.008 -60.636 1.00 13.10 C ATOM 1295 CG LEU A 89 40.900 -62.311 -59.844 1.00 32.44 C ATOM 1296 CD1 LEU A 89 41.890 -61.163 -59.963 1.00 71.32 C ATOM 1297 CD2 LEU A 89 40.567 -62.581 -58.383 1.00 60.35 C ATOM 0 H LEU A 89 41.499 -61.977 -62.405 1.00 44.34 H new ATOM 0 HA LEU A 89 39.110 -63.627 -61.952 1.00 55.23 H new ATOM 0 HB2 LEU A 89 39.535 -60.927 -60.735 1.00 13.10 H new ATOM 0 HB3 LEU A 89 38.772 -62.350 -60.055 1.00 13.10 H new ATOM 0 HG LEU A 89 41.361 -63.206 -60.263 1.00 32.44 H new ATOM 0 HD11 LEU A 89 42.789 -61.397 -59.393 1.00 71.32 H new ATOM 0 HD12 LEU A 89 42.153 -61.016 -61.011 1.00 71.32 H new ATOM 0 HD13 LEU A 89 41.439 -60.251 -59.571 1.00 71.32 H new ATOM 0 HD21 LEU A 89 41.484 -62.795 -57.834 1.00 60.35 H new ATOM 0 HD22 LEU A 89 40.082 -61.705 -57.952 1.00 60.35 H new ATOM 0 HD23 LEU A 89 39.896 -63.437 -58.315 1.00 60.35 H new ATOM 1309 N THR A 90 37.331 -61.902 -62.718 1.00 65.12 N ATOM 1310 CA THR A 90 36.362 -61.147 -63.502 1.00 3.20 C ATOM 1311 C THR A 90 36.825 -59.710 -63.712 1.00 3.30 C ATOM 1312 O THR A 90 37.155 -59.007 -62.756 1.00 4.13 O ATOM 1313 CB THR A 90 34.979 -61.135 -62.824 1.00 40.35 C ATOM 1314 OG1 THR A 90 34.023 -60.491 -63.674 1.00 71.02 O ATOM 1315 CG2 THR A 90 35.039 -60.417 -61.485 1.00 11.43 C ATOM 0 H THR A 90 36.919 -62.516 -62.016 1.00 65.12 H new ATOM 0 HA THR A 90 36.281 -61.644 -64.469 1.00 3.20 H new ATOM 0 HB THR A 90 34.674 -62.167 -62.651 1.00 40.35 H new ATOM 0 HG1 THR A 90 33.135 -60.876 -63.518 1.00 71.02 H new ATOM 0 HG21 THR A 90 34.051 -60.421 -61.025 1.00 11.43 H new ATOM 0 HG22 THR A 90 35.746 -60.926 -60.830 1.00 11.43 H new ATOM 0 HG23 THR A 90 35.363 -59.388 -61.638 1.00 11.43 H new ATOM 1323 N LEU A 91 36.847 -59.278 -64.968 1.00 11.30 N ATOM 1324 CA LEU A 91 37.269 -57.922 -65.304 1.00 21.33 C ATOM 1325 C LEU A 91 36.220 -56.903 -64.872 1.00 3.55 C ATOM 1326 O LEU A 91 36.533 -55.735 -64.639 1.00 3.20 O ATOM 1327 CB LEU A 91 37.523 -57.804 -66.808 1.00 11.25 C ATOM 1328 CG LEU A 91 36.286 -57.864 -67.704 1.00 35.41 C ATOM 1329 CD1 LEU A 91 36.482 -57.007 -68.944 1.00 45.23 C ATOM 1330 CD2 LEU A 91 35.978 -59.303 -68.091 1.00 74.44 C ATOM 0 H LEU A 91 36.578 -59.847 -65.771 1.00 11.30 H new ATOM 0 HA LEU A 91 38.195 -57.712 -64.768 1.00 21.33 H new ATOM 0 HB2 LEU A 91 38.038 -56.862 -66.996 1.00 11.25 H new ATOM 0 HB3 LEU A 91 38.202 -58.603 -67.105 1.00 11.25 H new ATOM 0 HG LEU A 91 35.437 -57.469 -67.146 1.00 35.41 H new ATOM 0 HD11 LEU A 91 35.591 -57.063 -69.569 1.00 45.23 H new ATOM 0 HD12 LEU A 91 36.653 -55.972 -68.648 1.00 45.23 H new ATOM 0 HD13 LEU A 91 37.342 -57.371 -69.505 1.00 45.23 H new ATOM 0 HD21 LEU A 91 35.094 -59.327 -68.729 1.00 74.44 H new ATOM 0 HD22 LEU A 91 36.826 -59.724 -68.630 1.00 74.44 H new ATOM 0 HD23 LEU A 91 35.792 -59.890 -67.191 1.00 74.44 H new ATOM 1342 N VAL A 92 34.974 -57.352 -64.764 1.00 20.31 N ATOM 1343 CA VAL A 92 33.879 -56.480 -64.356 1.00 61.12 C ATOM 1344 C VAL A 92 34.174 -55.819 -63.015 1.00 13.25 C ATOM 1345 O VAL A 92 33.674 -54.732 -62.722 1.00 44.13 O ATOM 1346 CB VAL A 92 32.552 -57.256 -64.254 1.00 3.44 C ATOM 1347 CG1 VAL A 92 32.321 -58.087 -65.506 1.00 41.23 C ATOM 1348 CG2 VAL A 92 32.544 -58.134 -63.012 1.00 31.23 C ATOM 0 H VAL A 92 34.697 -58.315 -64.954 1.00 20.31 H new ATOM 0 HA VAL A 92 33.783 -55.711 -65.123 1.00 61.12 H new ATOM 0 HB VAL A 92 31.736 -56.538 -64.169 1.00 3.44 H new ATOM 0 HG11 VAL A 92 31.379 -58.628 -65.415 1.00 41.23 H new ATOM 0 HG12 VAL A 92 32.280 -57.431 -66.376 1.00 41.23 H new ATOM 0 HG13 VAL A 92 33.138 -58.799 -65.626 1.00 41.23 H new ATOM 0 HG21 VAL A 92 31.600 -58.675 -62.955 1.00 31.23 H new ATOM 0 HG22 VAL A 92 33.368 -58.846 -63.064 1.00 31.23 H new ATOM 0 HG23 VAL A 92 32.659 -57.511 -62.125 1.00 31.23 H new ATOM 1358 N LYS A 93 34.989 -56.481 -62.201 1.00 34.52 N ATOM 1359 CA LYS A 93 35.353 -55.958 -60.889 1.00 73.54 C ATOM 1360 C LYS A 93 36.247 -54.730 -61.023 1.00 11.13 C ATOM 1361 O LYS A 93 35.982 -53.689 -60.420 1.00 72.53 O ATOM 1362 CB LYS A 93 36.066 -57.035 -60.068 1.00 43.04 C ATOM 1363 CG LYS A 93 36.424 -56.589 -58.661 1.00 71.31 C ATOM 1364 CD LYS A 93 37.929 -56.535 -58.459 1.00 31.53 C ATOM 1365 CE LYS A 93 38.287 -56.268 -57.005 1.00 35.43 C ATOM 1366 NZ LYS A 93 37.565 -55.083 -56.465 1.00 32.13 N ATOM 0 H LYS A 93 35.411 -57.382 -62.427 1.00 34.52 H new ATOM 0 HA LYS A 93 34.438 -55.665 -60.375 1.00 73.54 H new ATOM 0 HB2 LYS A 93 35.428 -57.917 -60.009 1.00 43.04 H new ATOM 0 HB3 LYS A 93 36.976 -57.334 -60.588 1.00 43.04 H new ATOM 0 HG2 LYS A 93 35.995 -55.605 -58.470 1.00 71.31 H new ATOM 0 HG3 LYS A 93 35.983 -57.275 -57.938 1.00 71.31 H new ATOM 0 HD2 LYS A 93 38.374 -57.478 -58.777 1.00 31.53 H new ATOM 0 HD3 LYS A 93 38.354 -55.753 -59.089 1.00 31.53 H new ATOM 0 HE2 LYS A 93 38.046 -57.145 -56.405 1.00 35.43 H new ATOM 0 HE3 LYS A 93 39.362 -56.109 -56.919 1.00 35.43 H new ATOM 0 HZ1 LYS A 93 38.206 -54.532 -55.860 1.00 32.13 H new ATOM 0 HZ2 LYS A 93 37.236 -54.489 -57.252 1.00 32.13 H new ATOM 0 HZ3 LYS A 93 36.748 -55.400 -55.905 1.00 32.13 H new ATOM 1380 N ARG A 94 37.305 -54.857 -61.816 1.00 63.22 N ATOM 1381 CA ARG A 94 38.238 -53.757 -62.028 1.00 51.14 C ATOM 1382 C ARG A 94 37.557 -52.599 -62.751 1.00 54.43 C ATOM 1383 O ARG A 94 37.673 -51.443 -62.342 1.00 0.00 O ATOM 1384 CB ARG A 94 39.448 -54.234 -62.834 1.00 12.20 C ATOM 1385 CG ARG A 94 40.628 -54.651 -61.971 1.00 73.14 C ATOM 1386 CD ARG A 94 41.838 -53.763 -62.215 1.00 53.14 C ATOM 1387 NE ARG A 94 41.498 -52.344 -62.146 1.00 22.20 N ATOM 1388 CZ ARG A 94 41.368 -51.675 -61.006 1.00 43.51 C ATOM 1389 NH1 ARG A 94 41.549 -52.292 -59.847 1.00 0.44 N ATOM 1390 NH2 ARG A 94 41.058 -50.385 -61.025 1.00 15.33 N ATOM 0 H ARG A 94 37.538 -55.711 -62.323 1.00 63.22 H new ATOM 0 HA ARG A 94 38.575 -53.407 -61.052 1.00 51.14 H new ATOM 0 HB2 ARG A 94 39.149 -55.076 -63.458 1.00 12.20 H new ATOM 0 HB3 ARG A 94 39.764 -53.436 -63.506 1.00 12.20 H new ATOM 0 HG2 ARG A 94 40.346 -54.603 -60.919 1.00 73.14 H new ATOM 0 HG3 ARG A 94 40.887 -55.688 -62.184 1.00 73.14 H new ATOM 0 HD2 ARG A 94 42.608 -53.988 -61.476 1.00 53.14 H new ATOM 0 HD3 ARG A 94 42.261 -53.987 -63.194 1.00 53.14 H new ATOM 0 HE ARG A 94 41.353 -51.840 -63.021 1.00 22.20 H new ATOM 0 HH11 ARG A 94 41.789 -53.283 -59.829 1.00 0.44 H new ATOM 0 HH12 ARG A 94 41.449 -51.776 -58.973 1.00 0.44 H new ATOM 0 HH21 ARG A 94 40.919 -49.907 -61.915 1.00 15.33 H new ATOM 0 HH22 ARG A 94 40.958 -49.872 -60.149 1.00 15.33 H new ATOM 1404 N HIS A 95 36.846 -52.916 -63.829 1.00 31.12 N ATOM 1405 CA HIS A 95 36.146 -51.902 -64.609 1.00 13.00 C ATOM 1406 C HIS A 95 35.121 -51.167 -63.750 1.00 3.12 C ATOM 1407 O HIS A 95 34.918 -49.963 -63.904 1.00 63.05 O ATOM 1408 CB HIS A 95 35.454 -52.542 -65.813 1.00 34.13 C ATOM 1409 CG HIS A 95 34.373 -51.691 -66.405 1.00 0.30 C ATOM 1410 ND1 HIS A 95 34.522 -50.340 -66.638 1.00 42.15 N ATOM 1411 CD2 HIS A 95 33.122 -52.006 -66.814 1.00 14.35 C ATOM 1412 CE1 HIS A 95 33.409 -49.860 -67.163 1.00 73.54 C ATOM 1413 NE2 HIS A 95 32.543 -50.851 -67.280 1.00 60.24 N ATOM 0 H HIS A 95 36.740 -53.867 -64.182 1.00 31.12 H new ATOM 0 HA HIS A 95 36.882 -51.180 -64.963 1.00 13.00 H new ATOM 0 HB2 HIS A 95 36.199 -52.754 -66.580 1.00 34.13 H new ATOM 0 HB3 HIS A 95 35.027 -53.498 -65.510 1.00 34.13 H new ATOM 0 HD2 HIS A 95 32.664 -52.984 -66.780 1.00 14.35 H new ATOM 0 HE1 HIS A 95 33.236 -48.833 -67.448 1.00 73.54 H new ATOM 0 HE2 HIS A 95 31.598 -50.771 -67.655 1.00 60.24 H new ATOM 1421 N GLN A 96 34.479 -51.900 -62.846 1.00 3.22 N ATOM 1422 CA GLN A 96 33.475 -51.317 -61.964 1.00 2.22 C ATOM 1423 C GLN A 96 34.129 -50.457 -60.887 1.00 65.23 C ATOM 1424 O GLN A 96 33.602 -49.411 -60.508 1.00 10.32 O ATOM 1425 CB GLN A 96 32.636 -52.418 -61.314 1.00 12.13 C ATOM 1426 CG GLN A 96 31.795 -51.932 -60.144 1.00 43.30 C ATOM 1427 CD GLN A 96 30.920 -53.023 -59.561 1.00 33.30 C ATOM 1428 OE1 GLN A 96 31.381 -53.851 -58.774 1.00 54.21 O ATOM 1429 NE2 GLN A 96 29.648 -53.031 -59.945 1.00 25.15 N ATOM 0 H GLN A 96 34.636 -52.898 -62.705 1.00 3.22 H new ATOM 0 HA GLN A 96 32.825 -50.681 -62.565 1.00 2.22 H new ATOM 0 HB2 GLN A 96 31.979 -52.855 -62.066 1.00 12.13 H new ATOM 0 HB3 GLN A 96 33.298 -53.212 -60.969 1.00 12.13 H new ATOM 0 HG2 GLN A 96 32.452 -51.544 -59.366 1.00 43.30 H new ATOM 0 HG3 GLN A 96 31.166 -51.104 -60.472 1.00 43.30 H new ATOM 0 HE21 GLN A 96 29.308 -52.326 -60.599 1.00 25.15 H new ATOM 0 HE22 GLN A 96 29.011 -53.742 -59.586 1.00 25.15 H new ATOM 1438 N LEU A 97 35.281 -50.905 -60.398 1.00 74.04 N ATOM 1439 CA LEU A 97 36.008 -50.177 -59.364 1.00 53.23 C ATOM 1440 C LEU A 97 36.225 -48.723 -59.772 1.00 74.24 C ATOM 1441 O LEU A 97 35.907 -47.803 -59.019 1.00 11.33 O ATOM 1442 CB LEU A 97 37.355 -50.848 -59.091 1.00 73.34 C ATOM 1443 CG LEU A 97 37.367 -51.903 -57.985 1.00 34.52 C ATOM 1444 CD1 LEU A 97 38.749 -52.524 -57.854 1.00 10.35 C ATOM 1445 CD2 LEU A 97 36.926 -51.294 -56.662 1.00 33.00 C ATOM 0 H LEU A 97 35.731 -51.769 -60.701 1.00 74.04 H new ATOM 0 HA LEU A 97 35.409 -50.194 -58.453 1.00 53.23 H new ATOM 0 HB2 LEU A 97 37.700 -51.314 -60.014 1.00 73.34 H new ATOM 0 HB3 LEU A 97 38.079 -50.074 -58.835 1.00 73.34 H new ATOM 0 HG LEU A 97 36.662 -52.690 -58.253 1.00 34.52 H new ATOM 0 HD11 LEU A 97 38.738 -53.273 -57.062 1.00 10.35 H new ATOM 0 HD12 LEU A 97 39.026 -52.997 -58.796 1.00 10.35 H new ATOM 0 HD13 LEU A 97 39.475 -51.748 -57.610 1.00 10.35 H new ATOM 0 HD21 LEU A 97 36.941 -52.060 -55.886 1.00 33.00 H new ATOM 0 HD22 LEU A 97 37.606 -50.487 -56.388 1.00 33.00 H new ATOM 0 HD23 LEU A 97 35.915 -50.899 -56.762 1.00 33.00 H new ATOM 1457 N ILE A 98 36.765 -48.525 -60.970 1.00 4.43 N ATOM 1458 CA ILE A 98 37.021 -47.183 -61.479 1.00 23.01 C ATOM 1459 C ILE A 98 35.744 -46.546 -62.017 1.00 23.41 C ATOM 1460 O ILE A 98 35.496 -45.358 -61.811 1.00 64.03 O ATOM 1461 CB ILE A 98 38.084 -47.197 -62.594 1.00 34.12 C ATOM 1462 CG1 ILE A 98 37.624 -48.081 -63.755 1.00 61.11 C ATOM 1463 CG2 ILE A 98 39.418 -47.682 -62.048 1.00 22.23 C ATOM 1464 CD1 ILE A 98 38.681 -48.279 -64.819 1.00 51.41 C ATOM 0 H ILE A 98 37.033 -49.276 -61.606 1.00 4.43 H new ATOM 0 HA ILE A 98 37.393 -46.593 -60.641 1.00 23.01 H new ATOM 0 HB ILE A 98 38.214 -46.180 -62.965 1.00 34.12 H new ATOM 0 HG12 ILE A 98 37.326 -49.054 -63.364 1.00 61.11 H new ATOM 0 HG13 ILE A 98 36.739 -47.637 -64.211 1.00 61.11 H new ATOM 0 HG21 ILE A 98 40.159 -47.686 -62.848 1.00 22.23 H new ATOM 0 HG22 ILE A 98 39.749 -47.016 -61.251 1.00 22.23 H new ATOM 0 HG23 ILE A 98 39.304 -48.692 -61.654 1.00 22.23 H new ATOM 0 HD11 ILE A 98 38.286 -48.916 -65.611 1.00 51.41 H new ATOM 0 HD12 ILE A 98 38.962 -47.312 -65.237 1.00 51.41 H new ATOM 0 HD13 ILE A 98 39.558 -48.752 -64.377 1.00 51.41 H new ATOM 1476 N TYR A 99 34.936 -47.345 -62.705 1.00 63.20 N ATOM 1477 CA TYR A 99 33.684 -46.860 -63.273 1.00 63.04 C ATOM 1478 C TYR A 99 33.866 -45.476 -63.889 1.00 14.23 C ATOM 1479 O TYR A 99 33.204 -44.517 -63.494 1.00 1.34 O ATOM 1480 CB TYR A 99 32.596 -46.814 -62.199 1.00 61.44 C ATOM 1481 CG TYR A 99 31.231 -46.447 -62.736 1.00 0.12 C ATOM 1482 CD1 TYR A 99 30.703 -47.091 -63.848 1.00 31.35 C ATOM 1483 CD2 TYR A 99 30.469 -45.456 -62.130 1.00 11.53 C ATOM 1484 CE1 TYR A 99 29.457 -46.758 -64.341 1.00 55.02 C ATOM 1485 CE2 TYR A 99 29.221 -45.117 -62.616 1.00 11.33 C ATOM 1486 CZ TYR A 99 28.719 -45.770 -63.722 1.00 23.41 C ATOM 1487 OH TYR A 99 27.477 -45.436 -64.210 1.00 33.52 O ATOM 0 H TYR A 99 35.126 -48.331 -62.883 1.00 63.20 H new ATOM 0 HA TYR A 99 33.379 -47.551 -64.059 1.00 63.04 H new ATOM 0 HB2 TYR A 99 32.536 -47.787 -61.712 1.00 61.44 H new ATOM 0 HB3 TYR A 99 32.882 -46.092 -61.434 1.00 61.44 H new ATOM 0 HD1 TYR A 99 31.277 -47.865 -64.335 1.00 31.35 H new ATOM 0 HD2 TYR A 99 30.859 -44.942 -61.264 1.00 11.53 H new ATOM 0 HE1 TYR A 99 29.062 -47.268 -65.207 1.00 55.02 H new ATOM 0 HE2 TYR A 99 28.642 -44.345 -62.132 1.00 11.33 H new ATOM 0 HH TYR A 99 27.090 -44.723 -63.660 1.00 33.52 H new ATOM 1497 N GLY A 100 34.768 -45.381 -64.861 1.00 10.23 N ATOM 1498 CA GLY A 100 35.021 -44.111 -65.516 1.00 60.15 C ATOM 1499 C GLY A 100 34.342 -44.011 -66.868 1.00 31.11 C ATOM 1500 O GLY A 100 33.858 -42.945 -67.251 1.00 34.15 O ATOM 0 H GLY A 100 35.328 -46.161 -65.206 1.00 10.23 H new ATOM 0 HA2 GLY A 100 34.672 -43.300 -64.877 1.00 60.15 H new ATOM 0 HA3 GLY A 100 36.096 -43.978 -65.642 1.00 60.15 H new ATOM 1504 N LEU A 101 34.307 -45.123 -67.594 1.00 53.12 N ATOM 1505 CA LEU A 101 33.683 -45.156 -68.913 1.00 20.14 C ATOM 1506 C LEU A 101 32.286 -44.545 -68.870 1.00 20.33 C ATOM 1507 O LEU A 101 31.694 -44.397 -67.800 1.00 30.33 O ATOM 1508 CB LEU A 101 33.607 -46.595 -69.427 1.00 4.15 C ATOM 1509 CG LEU A 101 34.895 -47.162 -70.025 1.00 71.41 C ATOM 1510 CD1 LEU A 101 35.325 -48.415 -69.277 1.00 13.32 C ATOM 1511 CD2 LEU A 101 34.708 -47.461 -71.506 1.00 25.05 C ATOM 0 H LEU A 101 34.703 -46.013 -67.292 1.00 53.12 H new ATOM 0 HA LEU A 101 34.297 -44.566 -69.593 1.00 20.14 H new ATOM 0 HB2 LEU A 101 33.299 -47.238 -68.603 1.00 4.15 H new ATOM 0 HB3 LEU A 101 32.824 -46.649 -70.184 1.00 4.15 H new ATOM 0 HG LEU A 101 35.681 -46.414 -69.921 1.00 71.41 H new ATOM 0 HD11 LEU A 101 36.243 -48.804 -69.717 1.00 13.32 H new ATOM 0 HD12 LEU A 101 35.499 -48.171 -68.229 1.00 13.32 H new ATOM 0 HD13 LEU A 101 34.541 -49.169 -69.349 1.00 13.32 H new ATOM 0 HD21 LEU A 101 35.634 -47.864 -71.916 1.00 25.05 H new ATOM 0 HD22 LEU A 101 33.908 -48.191 -71.632 1.00 25.05 H new ATOM 0 HD23 LEU A 101 34.447 -46.543 -72.032 1.00 25.05 H new ATOM 1523 N LEU A 102 31.764 -44.194 -70.039 1.00 54.04 N ATOM 1524 CA LEU A 102 30.434 -43.601 -70.136 1.00 62.04 C ATOM 1525 C LEU A 102 30.393 -42.241 -69.447 1.00 32.22 C ATOM 1526 O LEU A 102 30.276 -42.157 -68.224 1.00 61.32 O ATOM 1527 CB LEU A 102 29.392 -44.533 -69.515 1.00 41.41 C ATOM 1528 CG LEU A 102 27.944 -44.306 -69.951 1.00 62.03 C ATOM 1529 CD1 LEU A 102 27.286 -45.626 -70.323 1.00 41.44 C ATOM 1530 CD2 LEU A 102 27.159 -43.608 -68.851 1.00 13.23 C ATOM 0 H LEU A 102 32.241 -44.309 -70.933 1.00 54.04 H new ATOM 0 HA LEU A 102 30.202 -43.460 -71.192 1.00 62.04 H new ATOM 0 HB2 LEU A 102 29.665 -45.561 -69.753 1.00 41.41 H new ATOM 0 HB3 LEU A 102 29.444 -44.432 -68.431 1.00 41.41 H new ATOM 0 HG LEU A 102 27.946 -43.663 -70.832 1.00 62.03 H new ATOM 0 HD11 LEU A 102 26.256 -45.445 -70.631 1.00 41.44 H new ATOM 0 HD12 LEU A 102 27.834 -46.087 -71.144 1.00 41.44 H new ATOM 0 HD13 LEU A 102 27.295 -46.293 -69.461 1.00 41.44 H new ATOM 0 HD21 LEU A 102 26.131 -43.455 -69.179 1.00 13.23 H new ATOM 0 HD22 LEU A 102 27.165 -44.225 -67.952 1.00 13.23 H new ATOM 0 HD23 LEU A 102 27.618 -42.644 -68.632 1.00 13.23 H new ATOM 1542 N SER A 103 30.487 -41.178 -70.239 1.00 63.33 N ATOM 1543 CA SER A 103 30.462 -39.822 -69.705 1.00 42.31 C ATOM 1544 C SER A 103 30.590 -38.794 -70.826 1.00 35.14 C ATOM 1545 O SER A 103 29.597 -38.214 -71.267 1.00 21.33 O ATOM 1546 CB SER A 103 31.591 -39.630 -68.691 1.00 3.53 C ATOM 1547 OG SER A 103 31.100 -39.690 -67.363 1.00 31.40 O ATOM 0 H SER A 103 30.581 -41.230 -71.253 1.00 63.33 H new ATOM 0 HA SER A 103 29.505 -39.672 -69.206 1.00 42.31 H new ATOM 0 HB2 SER A 103 32.349 -40.399 -68.837 1.00 3.53 H new ATOM 0 HB3 SER A 103 32.076 -38.668 -68.860 1.00 3.53 H new ATOM 0 HG SER A 103 30.655 -40.551 -67.217 1.00 31.40 H new ATOM 1553 N ASP A 104 31.818 -38.574 -71.281 1.00 31.20 N ATOM 1554 CA ASP A 104 32.077 -37.618 -72.351 1.00 12.42 C ATOM 1555 C ASP A 104 31.743 -38.221 -73.712 1.00 5.13 C ATOM 1556 O ASP A 104 31.183 -37.550 -74.578 1.00 33.25 O ATOM 1557 CB ASP A 104 33.539 -37.171 -72.322 1.00 3.24 C ATOM 1558 CG ASP A 104 33.774 -35.904 -73.121 1.00 72.20 C ATOM 1559 OD1 ASP A 104 33.162 -35.762 -74.200 1.00 60.52 O ATOM 1560 OD2 ASP A 104 34.570 -35.055 -72.668 1.00 11.00 O ATOM 0 H ASP A 104 32.650 -39.045 -70.926 1.00 31.20 H new ATOM 0 HA ASP A 104 31.437 -36.750 -72.192 1.00 12.42 H new ATOM 0 HB2 ASP A 104 33.845 -37.007 -71.289 1.00 3.24 H new ATOM 0 HB3 ASP A 104 34.168 -37.969 -72.718 1.00 3.24 H new ATOM 1565 N GLU A 105 32.094 -39.491 -73.892 1.00 52.54 N ATOM 1566 CA GLU A 105 31.833 -40.183 -75.149 1.00 41.31 C ATOM 1567 C GLU A 105 30.363 -40.063 -75.541 1.00 62.23 C ATOM 1568 O GLU A 105 30.035 -39.876 -76.713 1.00 40.21 O ATOM 1569 CB GLU A 105 32.223 -41.658 -75.035 1.00 45.20 C ATOM 1570 CG GLU A 105 32.209 -42.396 -76.363 1.00 43.42 C ATOM 1571 CD GLU A 105 32.744 -41.553 -77.505 1.00 12.43 C ATOM 1572 OE1 GLU A 105 33.960 -41.270 -77.513 1.00 44.14 O ATOM 1573 OE2 GLU A 105 31.947 -41.175 -78.388 1.00 75.44 O ATOM 0 H GLU A 105 32.559 -40.060 -73.185 1.00 52.54 H new ATOM 0 HA GLU A 105 32.438 -39.714 -75.925 1.00 41.31 H new ATOM 0 HB2 GLU A 105 33.220 -41.729 -74.600 1.00 45.20 H new ATOM 0 HB3 GLU A 105 31.539 -42.154 -74.346 1.00 45.20 H new ATOM 0 HG2 GLU A 105 32.806 -43.304 -76.276 1.00 43.42 H new ATOM 0 HG3 GLU A 105 31.189 -42.706 -76.592 1.00 43.42 H new ATOM 1580 N PHE A 106 29.482 -40.174 -74.552 1.00 42.45 N ATOM 1581 CA PHE A 106 28.047 -40.080 -74.793 1.00 41.42 C ATOM 1582 C PHE A 106 27.705 -38.798 -75.547 1.00 13.21 C ATOM 1583 O PHE A 106 26.969 -38.822 -76.534 1.00 44.51 O ATOM 1584 CB PHE A 106 27.282 -40.126 -73.469 1.00 2.42 C ATOM 1585 CG PHE A 106 25.818 -39.821 -73.611 1.00 4.30 C ATOM 1586 CD1 PHE A 106 24.935 -40.792 -74.053 1.00 33.24 C ATOM 1587 CD2 PHE A 106 25.326 -38.563 -73.302 1.00 41.15 C ATOM 1588 CE1 PHE A 106 23.587 -40.514 -74.185 1.00 44.11 C ATOM 1589 CE2 PHE A 106 23.980 -38.279 -73.433 1.00 14.24 C ATOM 1590 CZ PHE A 106 23.109 -39.256 -73.873 1.00 61.15 C ATOM 0 H PHE A 106 29.737 -40.329 -73.577 1.00 42.45 H new ATOM 0 HA PHE A 106 27.750 -40.931 -75.406 1.00 41.42 H new ATOM 0 HB2 PHE A 106 27.397 -41.115 -73.026 1.00 2.42 H new ATOM 0 HB3 PHE A 106 27.728 -39.413 -72.776 1.00 2.42 H new ATOM 0 HD1 PHE A 106 25.303 -41.777 -74.297 1.00 33.24 H new ATOM 0 HD2 PHE A 106 26.002 -37.796 -72.955 1.00 41.15 H new ATOM 0 HE1 PHE A 106 22.909 -41.279 -74.532 1.00 44.11 H new ATOM 0 HE2 PHE A 106 23.610 -37.294 -73.191 1.00 14.24 H new ATOM 0 HZ PHE A 106 22.056 -39.037 -73.973 1.00 61.15 H new ATOM 1600 N LYS A 107 28.243 -37.679 -75.074 1.00 10.11 N ATOM 1601 CA LYS A 107 27.997 -36.386 -75.701 1.00 72.04 C ATOM 1602 C LYS A 107 28.457 -36.391 -77.156 1.00 1.44 C ATOM 1603 O LYS A 107 28.030 -35.558 -77.954 1.00 54.24 O ATOM 1604 CB LYS A 107 28.716 -35.277 -74.931 1.00 44.31 C ATOM 1605 CG LYS A 107 28.869 -33.988 -75.721 1.00 34.15 C ATOM 1606 CD LYS A 107 29.177 -32.810 -74.811 1.00 65.35 C ATOM 1607 CE LYS A 107 30.672 -32.676 -74.561 1.00 72.14 C ATOM 1608 NZ LYS A 107 30.959 -31.931 -73.304 1.00 60.42 N ATOM 0 H LYS A 107 28.853 -37.642 -74.257 1.00 10.11 H new ATOM 0 HA LYS A 107 26.924 -36.197 -75.678 1.00 72.04 H new ATOM 0 HB2 LYS A 107 28.166 -35.068 -74.014 1.00 44.31 H new ATOM 0 HB3 LYS A 107 29.704 -35.632 -74.637 1.00 44.31 H new ATOM 0 HG2 LYS A 107 29.668 -34.102 -76.454 1.00 34.15 H new ATOM 0 HG3 LYS A 107 27.953 -33.790 -76.277 1.00 34.15 H new ATOM 0 HD2 LYS A 107 28.798 -31.892 -75.261 1.00 65.35 H new ATOM 0 HD3 LYS A 107 28.658 -32.937 -73.861 1.00 65.35 H new ATOM 0 HE2 LYS A 107 31.121 -33.668 -74.506 1.00 72.14 H new ATOM 0 HE3 LYS A 107 31.136 -32.162 -75.402 1.00 72.14 H new ATOM 0 HZ1 LYS A 107 31.988 -31.861 -73.169 1.00 60.42 H new ATOM 0 HZ2 LYS A 107 30.552 -30.976 -73.366 1.00 60.42 H new ATOM 0 HZ3 LYS A 107 30.538 -32.435 -72.498 1.00 60.42 H new ATOM 1622 N ALA A 108 29.330 -37.335 -77.492 1.00 51.43 N ATOM 1623 CA ALA A 108 29.845 -37.449 -78.851 1.00 71.31 C ATOM 1624 C ALA A 108 28.955 -38.350 -79.701 1.00 40.43 C ATOM 1625 O ALA A 108 28.436 -37.929 -80.734 1.00 52.22 O ATOM 1626 CB ALA A 108 31.271 -37.980 -78.832 1.00 11.41 C ATOM 0 H ALA A 108 29.695 -38.031 -76.842 1.00 51.43 H new ATOM 0 HA ALA A 108 29.845 -36.455 -79.298 1.00 71.31 H new ATOM 0 HB1 ALA A 108 31.643 -38.060 -79.853 1.00 11.41 H new ATOM 0 HB2 ALA A 108 31.906 -37.297 -78.267 1.00 11.41 H new ATOM 0 HB3 ALA A 108 31.287 -38.963 -78.362 1.00 11.41 H new ATOM 1632 N GLY A 109 28.784 -39.592 -79.260 1.00 33.11 N ATOM 1633 CA GLY A 109 27.957 -40.532 -79.993 1.00 74.42 C ATOM 1634 C GLY A 109 28.775 -41.589 -80.709 1.00 11.31 C ATOM 1635 O GLY A 109 28.294 -42.228 -81.646 1.00 22.14 O ATOM 0 H GLY A 109 29.204 -39.964 -78.408 1.00 33.11 H new ATOM 0 HA2 GLY A 109 27.266 -41.017 -79.304 1.00 74.42 H new ATOM 0 HA3 GLY A 109 27.353 -39.989 -80.721 1.00 74.42 H new ATOM 1639 N LEU A 110 30.015 -41.772 -80.270 1.00 20.24 N ATOM 1640 CA LEU A 110 30.903 -42.758 -80.876 1.00 5.22 C ATOM 1641 C LEU A 110 31.190 -43.901 -79.907 1.00 43.14 C ATOM 1642 O LEU A 110 31.371 -43.683 -78.709 1.00 13.21 O ATOM 1643 CB LEU A 110 32.214 -42.096 -81.304 1.00 64.34 C ATOM 1644 CG LEU A 110 32.082 -40.825 -82.144 1.00 33.13 C ATOM 1645 CD1 LEU A 110 30.921 -40.948 -83.118 1.00 51.35 C ATOM 1646 CD2 LEU A 110 31.901 -39.610 -81.246 1.00 14.20 C ATOM 0 H LEU A 110 30.429 -41.251 -79.497 1.00 20.24 H new ATOM 0 HA LEU A 110 30.405 -43.168 -81.755 1.00 5.22 H new ATOM 0 HB2 LEU A 110 32.787 -41.857 -80.408 1.00 64.34 H new ATOM 0 HB3 LEU A 110 32.797 -42.823 -81.870 1.00 64.34 H new ATOM 0 HG LEU A 110 32.999 -40.694 -82.719 1.00 33.13 H new ATOM 0 HD11 LEU A 110 30.842 -40.034 -83.707 1.00 51.35 H new ATOM 0 HD12 LEU A 110 31.092 -41.795 -83.783 1.00 51.35 H new ATOM 0 HD13 LEU A 110 29.996 -41.103 -82.563 1.00 51.35 H new ATOM 0 HD21 LEU A 110 31.809 -38.714 -81.860 1.00 14.20 H new ATOM 0 HD22 LEU A 110 31.000 -39.733 -80.645 1.00 14.20 H new ATOM 0 HD23 LEU A 110 32.765 -39.512 -80.588 1.00 14.20 H new ATOM 1658 N HIS A 111 31.233 -45.120 -80.435 1.00 61.22 N ATOM 1659 CA HIS A 111 31.501 -46.298 -79.618 1.00 21.12 C ATOM 1660 C HIS A 111 32.739 -46.087 -78.751 1.00 34.44 C ATOM 1661 O HIS A 111 33.509 -45.152 -78.968 1.00 34.33 O ATOM 1662 CB HIS A 111 31.690 -47.529 -80.505 1.00 54.34 C ATOM 1663 CG HIS A 111 30.569 -48.518 -80.404 1.00 43.50 C ATOM 1664 ND1 HIS A 111 30.757 -49.831 -80.029 1.00 34.20 N ATOM 1665 CD2 HIS A 111 29.242 -48.378 -80.630 1.00 10.24 C ATOM 1666 CE1 HIS A 111 29.593 -50.457 -80.030 1.00 23.20 C ATOM 1667 NE2 HIS A 111 28.658 -49.597 -80.390 1.00 73.34 N ATOM 0 H HIS A 111 31.086 -45.318 -81.425 1.00 61.22 H new ATOM 0 HA HIS A 111 30.643 -46.459 -78.965 1.00 21.12 H new ATOM 0 HB2 HIS A 111 31.788 -47.208 -81.542 1.00 54.34 H new ATOM 0 HB3 HIS A 111 32.624 -48.022 -80.234 1.00 54.34 H new ATOM 0 HD2 HIS A 111 28.737 -47.476 -80.941 1.00 10.24 H new ATOM 0 HE1 HIS A 111 29.434 -51.495 -79.779 1.00 23.20 H new ATOM 0 HE2 HIS A 111 27.663 -49.805 -80.476 1.00 73.34 H new ATOM 1675 N ALA A 112 32.922 -46.963 -77.767 1.00 43.54 N ATOM 1676 CA ALA A 112 34.066 -46.873 -76.869 1.00 3.23 C ATOM 1677 C ALA A 112 34.616 -48.257 -76.540 1.00 0.30 C ATOM 1678 O ALA A 112 33.941 -49.268 -76.740 1.00 43.30 O ATOM 1679 CB ALA A 112 33.679 -46.140 -75.593 1.00 11.02 C ATOM 0 H ALA A 112 32.293 -47.742 -77.573 1.00 43.54 H new ATOM 0 HA ALA A 112 34.850 -46.310 -77.375 1.00 3.23 H new ATOM 0 HB1 ALA A 112 34.543 -46.080 -74.931 1.00 11.02 H new ATOM 0 HB2 ALA A 112 33.341 -45.134 -75.840 1.00 11.02 H new ATOM 0 HB3 ALA A 112 32.876 -46.680 -75.092 1.00 11.02 H new ATOM 1685 N LEU A 113 35.844 -48.296 -76.036 1.00 3.44 N ATOM 1686 CA LEU A 113 36.486 -49.557 -75.679 1.00 54.45 C ATOM 1687 C LEU A 113 36.869 -49.575 -74.203 1.00 50.32 C ATOM 1688 O LEU A 113 37.164 -48.535 -73.616 1.00 2.43 O ATOM 1689 CB LEU A 113 37.728 -49.782 -76.543 1.00 53.35 C ATOM 1690 CG LEU A 113 37.708 -49.135 -77.929 1.00 74.20 C ATOM 1691 CD1 LEU A 113 38.983 -49.463 -78.690 1.00 21.14 C ATOM 1692 CD2 LEU A 113 36.485 -49.591 -78.712 1.00 42.25 C ATOM 0 H LEU A 113 36.416 -47.469 -75.865 1.00 3.44 H new ATOM 0 HA LEU A 113 35.774 -50.362 -75.860 1.00 54.45 H new ATOM 0 HB2 LEU A 113 38.596 -49.406 -76.001 1.00 53.35 H new ATOM 0 HB3 LEU A 113 37.870 -50.856 -76.667 1.00 53.35 H new ATOM 0 HG LEU A 113 37.653 -48.054 -77.804 1.00 74.20 H new ATOM 0 HD11 LEU A 113 38.951 -48.994 -79.674 1.00 21.14 H new ATOM 0 HD12 LEU A 113 39.844 -49.087 -78.137 1.00 21.14 H new ATOM 0 HD13 LEU A 113 39.070 -50.543 -78.806 1.00 21.14 H new ATOM 0 HD21 LEU A 113 36.487 -49.121 -79.696 1.00 42.25 H new ATOM 0 HD22 LEU A 113 36.510 -50.675 -78.827 1.00 42.25 H new ATOM 0 HD23 LEU A 113 35.581 -49.304 -78.174 1.00 42.25 H new ATOM 1704 N ALA A 114 36.864 -50.764 -73.610 1.00 70.24 N ATOM 1705 CA ALA A 114 37.215 -50.918 -72.204 1.00 63.42 C ATOM 1706 C ALA A 114 37.903 -52.256 -71.954 1.00 33.34 C ATOM 1707 O ALA A 114 37.319 -53.316 -72.178 1.00 61.23 O ATOM 1708 CB ALA A 114 35.975 -50.789 -71.333 1.00 54.10 C ATOM 0 H ALA A 114 36.621 -51.635 -74.082 1.00 70.24 H new ATOM 0 HA ALA A 114 37.914 -50.124 -71.940 1.00 63.42 H new ATOM 0 HB1 ALA A 114 36.252 -50.906 -70.285 1.00 54.10 H new ATOM 0 HB2 ALA A 114 35.526 -49.807 -71.482 1.00 54.10 H new ATOM 0 HB3 ALA A 114 35.256 -51.561 -71.607 1.00 54.10 H new ATOM 1714 N MET A 115 39.146 -52.199 -71.488 1.00 20.43 N ATOM 1715 CA MET A 115 39.912 -53.408 -71.206 1.00 44.24 C ATOM 1716 C MET A 115 40.766 -53.231 -69.955 1.00 20.14 C ATOM 1717 O MET A 115 41.637 -52.362 -69.901 1.00 54.44 O ATOM 1718 CB MET A 115 40.803 -53.762 -72.399 1.00 74.21 C ATOM 1719 CG MET A 115 40.170 -53.446 -73.745 1.00 32.34 C ATOM 1720 SD MET A 115 40.806 -54.487 -75.073 1.00 35.24 S ATOM 1721 CE MET A 115 39.932 -56.017 -74.751 1.00 73.32 C ATOM 0 H MET A 115 39.644 -51.330 -71.298 1.00 20.43 H new ATOM 0 HA MET A 115 39.208 -54.222 -71.032 1.00 44.24 H new ATOM 0 HB2 MET A 115 41.744 -53.219 -72.313 1.00 74.21 H new ATOM 0 HB3 MET A 115 41.043 -54.824 -72.360 1.00 74.21 H new ATOM 0 HG2 MET A 115 39.090 -53.575 -73.673 1.00 32.34 H new ATOM 0 HG3 MET A 115 40.351 -52.400 -73.991 1.00 32.34 H new ATOM 0 HE1 MET A 115 40.599 -56.861 -74.928 1.00 73.32 H new ATOM 0 HE2 MET A 115 39.595 -56.032 -73.715 1.00 73.32 H new ATOM 0 HE3 MET A 115 39.070 -56.090 -75.414 1.00 73.32 H new ATOM 1731 N THR A 116 40.511 -54.061 -68.948 1.00 23.13 N ATOM 1732 CA THR A 116 41.255 -53.995 -67.696 1.00 61.32 C ATOM 1733 C THR A 116 41.803 -55.364 -67.309 1.00 74.44 C ATOM 1734 O THR A 116 41.043 -56.299 -67.052 1.00 11.25 O ATOM 1735 CB THR A 116 40.377 -53.463 -66.548 1.00 71.10 C ATOM 1736 OG1 THR A 116 41.111 -53.487 -65.319 1.00 13.44 O ATOM 1737 CG2 THR A 116 39.111 -54.295 -66.405 1.00 0.41 C ATOM 0 H THR A 116 39.795 -54.787 -68.975 1.00 23.13 H new ATOM 0 HA THR A 116 42.085 -53.307 -67.858 1.00 61.32 H new ATOM 0 HB THR A 116 40.094 -52.437 -66.782 1.00 71.10 H new ATOM 0 HG1 THR A 116 41.055 -52.609 -64.887 1.00 13.44 H new ATOM 0 HG21 THR A 116 38.507 -53.901 -65.588 1.00 0.41 H new ATOM 0 HG22 THR A 116 38.540 -54.251 -67.333 1.00 0.41 H new ATOM 0 HG23 THR A 116 39.378 -55.330 -66.192 1.00 0.41 H new ATOM 1745 N THR A 117 43.127 -55.478 -67.270 1.00 13.32 N ATOM 1746 CA THR A 117 43.776 -56.733 -66.915 1.00 21.13 C ATOM 1747 C THR A 117 44.676 -56.561 -65.697 1.00 24.14 C ATOM 1748 O THR A 117 45.737 -55.941 -65.778 1.00 21.41 O ATOM 1749 CB THR A 117 44.614 -57.283 -68.085 1.00 12.24 C ATOM 1750 OG1 THR A 117 45.473 -58.331 -67.622 1.00 52.10 O ATOM 1751 CG2 THR A 117 45.448 -56.180 -68.718 1.00 54.54 C ATOM 0 H THR A 117 43.771 -54.715 -67.480 1.00 13.32 H new ATOM 0 HA THR A 117 42.983 -57.443 -66.680 1.00 21.13 H new ATOM 0 HB THR A 117 43.932 -57.679 -68.837 1.00 12.24 H new ATOM 0 HG1 THR A 117 46.001 -58.676 -68.372 1.00 52.10 H new ATOM 0 HG21 THR A 117 46.031 -56.592 -69.542 1.00 54.54 H new ATOM 0 HG22 THR A 117 44.790 -55.397 -69.095 1.00 54.54 H new ATOM 0 HG23 THR A 117 46.122 -55.759 -67.971 1.00 54.54 H new ATOM 1759 N LYS A 118 44.248 -57.114 -64.567 1.00 74.11 N ATOM 1760 CA LYS A 118 45.016 -57.024 -63.331 1.00 33.10 C ATOM 1761 C LYS A 118 45.298 -58.412 -62.764 1.00 12.45 C ATOM 1762 O LYS A 118 44.513 -59.342 -62.950 1.00 14.14 O ATOM 1763 CB LYS A 118 44.262 -56.183 -62.298 1.00 42.33 C ATOM 1764 CG LYS A 118 44.946 -56.127 -60.943 1.00 71.51 C ATOM 1765 CD LYS A 118 44.335 -57.122 -59.970 1.00 3.44 C ATOM 1766 CE LYS A 118 44.713 -56.798 -58.532 1.00 62.12 C ATOM 1767 NZ LYS A 118 44.128 -57.774 -57.572 1.00 14.23 N ATOM 0 H LYS A 118 43.372 -57.630 -64.482 1.00 74.11 H new ATOM 0 HA LYS A 118 45.967 -56.543 -63.558 1.00 33.10 H new ATOM 0 HB2 LYS A 118 44.149 -55.169 -62.681 1.00 42.33 H new ATOM 0 HB3 LYS A 118 43.259 -56.590 -62.173 1.00 42.33 H new ATOM 0 HG2 LYS A 118 46.009 -56.338 -61.062 1.00 71.51 H new ATOM 0 HG3 LYS A 118 44.865 -55.120 -60.534 1.00 71.51 H new ATOM 0 HD2 LYS A 118 43.250 -57.114 -60.073 1.00 3.44 H new ATOM 0 HD3 LYS A 118 44.671 -58.129 -60.218 1.00 3.44 H new ATOM 0 HE2 LYS A 118 45.799 -56.797 -58.433 1.00 62.12 H new ATOM 0 HE3 LYS A 118 44.370 -55.794 -58.284 1.00 62.12 H new ATOM 0 HZ1 LYS A 118 44.408 -57.519 -56.604 1.00 14.23 H new ATOM 0 HZ2 LYS A 118 43.091 -57.757 -57.648 1.00 14.23 H new ATOM 0 HZ3 LYS A 118 44.475 -58.729 -57.793 1.00 14.23 H new ATOM 1781 N THR A 119 46.424 -58.544 -62.069 1.00 35.33 N ATOM 1782 CA THR A 119 46.809 -59.818 -61.474 1.00 11.31 C ATOM 1783 C THR A 119 46.489 -59.848 -59.984 1.00 4.54 C ATOM 1784 O THR A 119 46.797 -58.916 -59.239 1.00 62.25 O ATOM 1785 CB THR A 119 48.311 -60.098 -61.671 1.00 74.41 C ATOM 1786 OG1 THR A 119 48.760 -59.518 -62.901 1.00 21.14 O ATOM 1787 CG2 THR A 119 48.585 -61.595 -61.681 1.00 12.45 C ATOM 0 H THR A 119 47.085 -57.785 -61.905 1.00 35.33 H new ATOM 0 HA THR A 119 46.233 -60.591 -61.982 1.00 11.31 H new ATOM 0 HB THR A 119 48.854 -59.650 -60.839 1.00 74.41 H new ATOM 0 HG1 THR A 119 48.018 -59.492 -63.540 1.00 21.14 H new ATOM 0 HG21 THR A 119 49.652 -61.769 -61.821 1.00 12.45 H new ATOM 0 HG22 THR A 119 48.268 -62.029 -60.733 1.00 12.45 H new ATOM 0 HG23 THR A 119 48.031 -62.061 -62.496 1.00 12.45 H new