USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 575 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 61 SER OG : rot 180:sc= 0.293 USER MOD Set 1.2: A 63 CYS SG : rot 25:sc= -0.548 USER MOD Set 1.3: A 93 TYR OH : rot 136:sc= 0.309 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.19) USER MOD Single : A 9 HIS : no HD1:sc= -0.044 X(o=-0.044,f=-0.35) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.02 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 80:sc= -1.19 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0425) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.228 K(o=-0.23,f=-0.89) USER MOD Single : A 69 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.45) USER MOD Single : A 76 ASN : amide:sc=-0.00152 K(o=-0.0015,f=-1.1) USER MOD Single : A 77 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3.1!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -79:sc= -1.92! USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.4) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.085) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= -1.86 (180deg=-2.18!) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 23.400 31.055 13.473 1.00 0.00 N ATOM 67 CA HIS A 6 22.654 32.290 13.255 1.00 0.00 C ATOM 68 C HIS A 6 21.724 32.159 12.054 1.00 0.00 C ATOM 69 O HIS A 6 22.136 32.364 10.913 1.00 0.00 O ATOM 70 CB HIS A 6 23.619 33.458 13.042 1.00 0.00 C ATOM 71 CG HIS A 6 24.556 33.678 14.187 1.00 0.00 C ATOM 72 ND1 HIS A 6 24.106 33.713 15.486 1.00 0.00 N ATOM 73 CD2 HIS A 6 25.898 33.868 14.179 1.00 0.00 C ATOM 74 CE1 HIS A 6 25.174 33.922 16.234 1.00 0.00 C ATOM 75 NE2 HIS A 6 26.281 34.022 15.485 1.00 0.00 N ATOM 0 HA HIS A 6 22.048 32.482 14.140 1.00 0.00 H new ATOM 0 HB2 HIS A 6 24.200 33.278 12.138 1.00 0.00 H new ATOM 0 HB3 HIS A 6 23.043 34.368 12.875 1.00 0.00 H new ATOM 0 HD2 HIS A 6 26.541 33.893 13.311 1.00 0.00 H new ATOM 0 HE1 HIS A 6 25.158 34.002 17.311 1.00 0.00 H new ATOM 0 HE2 HIS A 6 27.230 34.182 15.824 1.00 0.00 H new ATOM 83 N HIS A 7 20.468 31.815 12.320 1.00 0.00 N ATOM 84 CA HIS A 7 19.480 31.653 11.261 1.00 0.00 C ATOM 85 C HIS A 7 18.312 32.615 11.448 1.00 0.00 C ATOM 86 O HIS A 7 17.615 32.572 12.463 1.00 0.00 O ATOM 87 CB HIS A 7 18.965 30.213 11.231 1.00 0.00 C ATOM 88 CG HIS A 7 20.003 29.214 10.829 1.00 0.00 C ATOM 89 ND1 HIS A 7 20.404 29.084 9.520 1.00 0.00 N ATOM 90 CD2 HIS A 7 20.687 28.326 11.591 1.00 0.00 C ATOM 91 CE1 HIS A 7 21.316 28.129 9.513 1.00 0.00 C ATOM 92 NE2 HIS A 7 21.519 27.641 10.746 1.00 0.00 N ATOM 0 H HIS A 7 20.111 31.643 13.260 1.00 0.00 H new ATOM 0 HA HIS A 7 19.966 31.881 10.312 1.00 0.00 H new ATOM 0 HB2 HIS A 7 18.584 29.952 12.218 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.125 30.151 10.539 1.00 0.00 H new ATOM 0 HD2 HIS A 7 20.594 28.186 12.658 1.00 0.00 H new ATOM 0 HE1 HIS A 7 21.832 27.785 8.629 1.00 0.00 H new ATOM 0 HE2 HIS A 7 22.170 26.900 11.005 1.00 0.00 H new ATOM 100 N HIS A 8 18.101 33.480 10.461 1.00 0.00 N ATOM 101 CA HIS A 8 17.012 34.449 10.512 1.00 0.00 C ATOM 102 C HIS A 8 15.938 34.113 9.483 1.00 0.00 C ATOM 103 O HIS A 8 16.056 33.132 8.748 1.00 0.00 O ATOM 104 CB HIS A 8 17.545 35.865 10.272 1.00 0.00 C ATOM 105 CG HIS A 8 18.708 35.919 9.330 1.00 0.00 C ATOM 106 ND1 HIS A 8 20.003 35.876 9.789 1.00 0.00 N ATOM 107 CD2 HIS A 8 18.720 36.012 7.978 1.00 0.00 C ATOM 108 CE1 HIS A 8 20.770 35.942 8.716 1.00 0.00 C ATOM 109 NE2 HIS A 8 20.037 36.027 7.597 1.00 0.00 N ATOM 0 H HIS A 8 18.670 33.530 9.616 1.00 0.00 H new ATOM 0 HA HIS A 8 16.565 34.404 11.505 1.00 0.00 H new ATOM 0 HB2 HIS A 8 16.740 36.485 9.877 1.00 0.00 H new ATOM 0 HB3 HIS A 8 17.842 36.299 11.227 1.00 0.00 H new ATOM 0 HD2 HIS A 8 17.860 36.064 7.327 1.00 0.00 H new ATOM 0 HE1 HIS A 8 21.850 35.929 8.737 1.00 0.00 H new ATOM 0 HE2 HIS A 8 20.392 36.091 6.643 1.00 0.00 H new ATOM 117 N HIS A 9 14.889 34.928 9.441 1.00 0.00 N ATOM 118 CA HIS A 9 13.791 34.715 8.504 1.00 0.00 C ATOM 119 C HIS A 9 14.276 34.827 7.063 1.00 0.00 C ATOM 120 O HIS A 9 14.387 35.925 6.517 1.00 0.00 O ATOM 121 CB HIS A 9 12.673 35.727 8.760 1.00 0.00 C ATOM 122 CG HIS A 9 11.919 35.481 10.031 1.00 0.00 C ATOM 123 ND1 HIS A 9 12.294 34.490 10.908 1.00 0.00 N ATOM 124 CD2 HIS A 9 10.829 36.119 10.523 1.00 0.00 C ATOM 125 CE1 HIS A 9 11.432 34.545 11.907 1.00 0.00 C ATOM 126 NE2 HIS A 9 10.527 35.517 11.717 1.00 0.00 N ATOM 0 H HIS A 9 14.776 35.742 10.045 1.00 0.00 H new ATOM 0 HA HIS A 9 13.403 33.708 8.659 1.00 0.00 H new ATOM 0 HB2 HIS A 9 13.101 36.729 8.790 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.975 35.704 7.923 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.301 36.942 10.064 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.453 33.891 12.767 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.759 35.762 12.343 1.00 0.00 H new ATOM 134 N HIS A 10 14.566 33.682 6.451 1.00 0.00 N ATOM 135 CA HIS A 10 15.042 33.649 5.074 1.00 0.00 C ATOM 136 C HIS A 10 13.875 33.590 4.094 1.00 0.00 C ATOM 137 O HIS A 10 12.733 33.347 4.485 1.00 0.00 O ATOM 138 CB HIS A 10 15.961 32.446 4.859 1.00 0.00 C ATOM 139 CG HIS A 10 17.329 32.623 5.442 1.00 0.00 C ATOM 140 ND1 HIS A 10 17.765 31.853 6.494 1.00 0.00 N ATOM 141 CD2 HIS A 10 18.314 33.485 5.086 1.00 0.00 C ATOM 142 CE1 HIS A 10 18.994 32.260 6.756 1.00 0.00 C ATOM 143 NE2 HIS A 10 19.368 33.247 5.928 1.00 0.00 N ATOM 0 H HIS A 10 14.479 32.765 6.889 1.00 0.00 H new ATOM 0 HA HIS A 10 15.602 34.566 4.889 1.00 0.00 H new ATOM 0 HB2 HIS A 10 15.499 31.563 5.301 1.00 0.00 H new ATOM 0 HB3 HIS A 10 16.053 32.257 3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 10 18.275 34.217 4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 10 19.618 31.851 7.537 1.00 0.00 H new ATOM 0 HE2 HIS A 10 20.267 33.729 5.926 1.00 0.00 H new ATOM 151 N SER A 11 14.171 33.812 2.817 1.00 0.00 N ATOM 152 CA SER A 11 13.150 33.784 1.778 1.00 0.00 C ATOM 153 C SER A 11 12.682 32.357 1.514 1.00 0.00 C ATOM 154 O SER A 11 11.494 32.050 1.632 1.00 0.00 O ATOM 155 CB SER A 11 13.690 34.401 0.487 1.00 0.00 C ATOM 156 OG SER A 11 14.984 33.905 0.185 1.00 0.00 O ATOM 0 H SER A 11 15.112 34.013 2.478 1.00 0.00 H new ATOM 0 HA SER A 11 12.298 34.369 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.011 34.180 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.727 35.486 0.587 1.00 0.00 H new ATOM 0 HG SER A 11 15.305 34.314 -0.646 1.00 0.00 H new ATOM 162 N SER A 12 13.623 31.488 1.159 1.00 0.00 N ATOM 163 CA SER A 12 13.308 30.092 0.878 1.00 0.00 C ATOM 164 C SER A 12 14.346 29.165 1.502 1.00 0.00 C ATOM 165 O SER A 12 15.432 28.975 0.954 1.00 0.00 O ATOM 166 CB SER A 12 13.240 29.858 -0.633 1.00 0.00 C ATOM 167 OG SER A 12 12.591 30.934 -1.288 1.00 0.00 O ATOM 0 H SER A 12 14.610 31.726 1.059 1.00 0.00 H new ATOM 0 HA SER A 12 12.336 29.868 1.318 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.248 29.741 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.706 28.930 -0.837 1.00 0.00 H new ATOM 0 HG SER A 12 12.562 30.761 -2.252 1.00 0.00 H new ATOM 173 N GLY A 13 14.004 28.593 2.652 1.00 0.00 N ATOM 174 CA GLY A 13 14.918 27.696 3.335 1.00 0.00 C ATOM 175 C GLY A 13 14.534 26.238 3.173 1.00 0.00 C ATOM 176 O GLY A 13 14.029 25.614 4.107 1.00 0.00 O ATOM 0 H GLY A 13 13.110 28.735 3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.926 27.847 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.942 27.946 4.396 1.00 0.00 H new ATOM 390 N ASP A 27 0.930 3.582 -4.457 1.00 0.00 N ATOM 391 CA ASP A 27 0.315 2.538 -5.265 1.00 0.00 C ATOM 392 C ASP A 27 -0.806 1.851 -4.496 1.00 0.00 C ATOM 393 O ASP A 27 -1.970 2.240 -4.604 1.00 0.00 O ATOM 394 CB ASP A 27 1.357 1.511 -5.717 1.00 0.00 C ATOM 395 CG ASP A 27 0.800 0.527 -6.727 1.00 0.00 C ATOM 396 OD1 ASP A 27 -0.149 0.892 -7.452 1.00 0.00 O ATOM 397 OD2 ASP A 27 1.315 -0.610 -6.794 1.00 0.00 O ATOM 0 HA ASP A 27 -0.110 3.008 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.210 2.031 -6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.726 0.966 -4.848 1.00 0.00 H new ATOM 402 N TYR A 28 -0.465 0.797 -3.761 1.00 0.00 N ATOM 403 CA TYR A 28 -1.466 0.072 -2.980 1.00 0.00 C ATOM 404 C TYR A 28 -0.955 -0.270 -1.584 1.00 0.00 C ATOM 405 O TYR A 28 0.243 -0.188 -1.311 1.00 0.00 O ATOM 406 CB TYR A 28 -1.896 -1.205 -3.704 1.00 0.00 C ATOM 407 CG TYR A 28 -3.226 -1.748 -3.232 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.377 -0.970 -3.290 1.00 0.00 C ATOM 409 CD2 TYR A 28 -3.331 -3.039 -2.726 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.593 -1.463 -2.857 1.00 0.00 C ATOM 411 CE2 TYR A 28 -4.545 -3.537 -2.291 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.672 -2.746 -2.360 1.00 0.00 C ATOM 413 OH TYR A 28 -6.882 -3.240 -1.928 1.00 0.00 O ATOM 0 H TYR A 28 0.483 0.428 -3.689 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.329 0.730 -2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.954 -1.005 -4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.131 -1.968 -3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.320 0.036 -3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.451 -3.662 -2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.478 -0.846 -2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.610 -4.541 -1.899 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.765 -4.159 -1.609 1.00 0.00 H new ATOM 423 N ARG A 29 -1.876 -0.673 -0.713 1.00 0.00 N ATOM 424 CA ARG A 29 -1.530 -1.062 0.648 1.00 0.00 C ATOM 425 C ARG A 29 -2.237 -2.360 1.038 1.00 0.00 C ATOM 426 O ARG A 29 -3.442 -2.370 1.290 1.00 0.00 O ATOM 427 CB ARG A 29 -1.899 0.051 1.633 1.00 0.00 C ATOM 428 CG ARG A 29 -3.250 0.690 1.351 1.00 0.00 C ATOM 429 CD ARG A 29 -3.160 2.207 1.353 1.00 0.00 C ATOM 430 NE ARG A 29 -2.617 2.725 0.100 1.00 0.00 N ATOM 431 CZ ARG A 29 -3.335 3.406 -0.789 1.00 0.00 C ATOM 432 NH1 ARG A 29 -4.619 3.649 -0.562 1.00 0.00 N ATOM 433 NH2 ARG A 29 -2.769 3.843 -1.905 1.00 0.00 N ATOM 0 H ARG A 29 -2.871 -0.738 -0.928 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.453 -1.227 0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.903 -0.357 2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.129 0.822 1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.621 0.348 0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.971 0.366 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.151 2.629 1.520 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.531 2.532 2.182 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.632 2.555 -0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.058 3.314 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.168 4.171 -1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.782 3.657 -2.083 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.320 4.365 -2.586 1.00 0.00 H new ATOM 447 N LEU A 30 -1.479 -3.452 1.086 1.00 0.00 N ATOM 448 CA LEU A 30 -2.032 -4.757 1.435 1.00 0.00 C ATOM 449 C LEU A 30 -1.664 -5.142 2.865 1.00 0.00 C ATOM 450 O LEU A 30 -0.738 -5.919 3.089 1.00 0.00 O ATOM 451 CB LEU A 30 -1.520 -5.822 0.458 1.00 0.00 C ATOM 452 CG LEU A 30 -2.423 -7.051 0.282 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.243 -8.020 1.443 1.00 0.00 C ATOM 454 CD2 LEU A 30 -3.882 -6.634 0.154 1.00 0.00 C ATOM 0 H LEU A 30 -0.479 -3.459 0.887 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.118 -4.697 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.377 -5.356 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.540 -6.159 0.797 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.131 -7.559 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.892 -8.884 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.205 -8.349 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.504 -7.522 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.504 -7.520 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.188 -6.099 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.000 -5.984 -0.713 1.00 0.00 H new ATOM 466 N ASP A 31 -2.411 -4.615 3.831 1.00 0.00 N ATOM 467 CA ASP A 31 -2.154 -4.905 5.238 1.00 0.00 C ATOM 468 C ASP A 31 -3.169 -5.905 5.789 1.00 0.00 C ATOM 469 O ASP A 31 -4.012 -5.556 6.617 1.00 0.00 O ATOM 470 CB ASP A 31 -2.192 -3.614 6.060 1.00 0.00 C ATOM 471 CG ASP A 31 -1.618 -2.430 5.306 1.00 0.00 C ATOM 472 OD1 ASP A 31 -0.533 -2.579 4.704 1.00 0.00 O ATOM 473 OD2 ASP A 31 -2.253 -1.355 5.316 1.00 0.00 O ATOM 0 H ASP A 31 -3.197 -3.986 3.666 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.162 -5.349 5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.222 -3.397 6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.632 -3.759 6.984 1.00 0.00 H new ATOM 478 N MET A 32 -3.111 -7.137 5.289 1.00 0.00 N ATOM 479 CA MET A 32 -4.025 -8.186 5.733 1.00 0.00 C ATOM 480 C MET A 32 -3.290 -9.510 5.964 1.00 0.00 C ATOM 481 O MET A 32 -2.588 -9.680 6.962 1.00 0.00 O ATOM 482 CB MET A 32 -5.151 -8.370 4.713 1.00 0.00 C ATOM 483 CG MET A 32 -6.117 -7.198 4.653 1.00 0.00 C ATOM 484 SD MET A 32 -7.813 -7.675 5.032 1.00 0.00 S ATOM 485 CE MET A 32 -8.040 -6.888 6.623 1.00 0.00 C ATOM 0 H MET A 32 -2.442 -7.433 4.578 1.00 0.00 H new ATOM 0 HA MET A 32 -4.455 -7.877 6.686 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.714 -8.521 3.726 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.707 -9.275 4.957 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.794 -6.430 5.356 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.082 -6.754 3.658 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.046 -7.092 6.990 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.309 -7.280 7.330 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.903 -5.812 6.519 1.00 0.00 H new ATOM 495 N VAL A 33 -3.479 -10.458 5.045 1.00 0.00 N ATOM 496 CA VAL A 33 -2.844 -11.768 5.147 1.00 0.00 C ATOM 497 C VAL A 33 -2.242 -12.183 3.809 1.00 0.00 C ATOM 498 O VAL A 33 -2.748 -11.815 2.749 1.00 0.00 O ATOM 499 CB VAL A 33 -3.850 -12.846 5.602 1.00 0.00 C ATOM 500 CG1 VAL A 33 -3.130 -14.139 5.953 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.673 -12.352 6.782 1.00 0.00 C ATOM 0 H VAL A 33 -4.068 -10.340 4.221 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.053 -11.684 5.892 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.530 -13.048 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.857 -14.886 6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.593 -14.505 5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.423 -13.954 6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.375 -13.128 7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.010 -12.116 7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.224 -11.457 6.492 1.00 0.00 H new ATOM 511 N GLY A 34 -1.155 -12.947 3.866 1.00 0.00 N ATOM 512 CA GLY A 34 -0.500 -13.398 2.651 1.00 0.00 C ATOM 513 C GLY A 34 -1.173 -14.612 2.042 1.00 0.00 C ATOM 514 O GLY A 34 -0.530 -15.638 1.818 1.00 0.00 O ATOM 0 H GLY A 34 -0.716 -13.262 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.495 -12.587 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.541 -13.636 2.871 1.00 0.00 H new ATOM 518 N GLU A 35 -2.469 -14.495 1.771 1.00 0.00 N ATOM 519 CA GLU A 35 -3.231 -15.590 1.180 1.00 0.00 C ATOM 520 C GLU A 35 -2.991 -15.665 -0.330 1.00 0.00 C ATOM 521 O GLU A 35 -2.565 -14.687 -0.945 1.00 0.00 O ATOM 522 CB GLU A 35 -4.725 -15.416 1.480 1.00 0.00 C ATOM 523 CG GLU A 35 -5.456 -14.533 0.484 1.00 0.00 C ATOM 524 CD GLU A 35 -6.690 -13.880 1.079 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.608 -13.395 2.227 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.736 -13.854 0.397 1.00 0.00 O ATOM 0 H GLU A 35 -3.014 -13.652 1.951 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.892 -16.526 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.199 -16.398 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.838 -14.991 2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.778 -13.759 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.746 -15.130 -0.381 1.00 0.00 H new ATOM 593 N PRO A 40 -5.774 -9.618 -2.884 1.00 0.00 N ATOM 594 CA PRO A 40 -4.760 -8.694 -2.350 1.00 0.00 C ATOM 595 C PRO A 40 -3.883 -8.063 -3.435 1.00 0.00 C ATOM 596 O PRO A 40 -4.160 -6.958 -3.901 1.00 0.00 O ATOM 597 CB PRO A 40 -3.915 -9.576 -1.423 1.00 0.00 C ATOM 598 CG PRO A 40 -4.179 -10.972 -1.864 1.00 0.00 C ATOM 599 CD PRO A 40 -5.597 -10.981 -2.348 1.00 0.00 C ATOM 0 HA PRO A 40 -5.227 -7.846 -1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.856 -9.331 -1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.196 -9.433 -0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.492 -11.269 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.041 -11.675 -1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.757 -11.740 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.298 -11.191 -1.540 1.00 0.00 H new ATOM 607 N ALA A 41 -2.821 -8.770 -3.819 1.00 0.00 N ATOM 608 CA ALA A 41 -1.866 -8.269 -4.812 1.00 0.00 C ATOM 609 C ALA A 41 -2.522 -7.908 -6.141 1.00 0.00 C ATOM 610 O ALA A 41 -1.842 -7.442 -7.057 1.00 0.00 O ATOM 611 CB ALA A 41 -0.770 -9.293 -5.046 1.00 0.00 C ATOM 0 H ALA A 41 -2.598 -9.697 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.443 -7.352 -4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.066 -8.910 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.245 -9.484 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.211 -10.221 -5.411 1.00 0.00 H new ATOM 617 N VAL A 42 -3.828 -8.131 -6.257 1.00 0.00 N ATOM 618 CA VAL A 42 -4.550 -7.808 -7.484 1.00 0.00 C ATOM 619 C VAL A 42 -4.158 -6.421 -7.992 1.00 0.00 C ATOM 620 O VAL A 42 -4.087 -6.188 -9.199 1.00 0.00 O ATOM 621 CB VAL A 42 -6.079 -7.871 -7.267 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.822 -7.059 -8.320 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.552 -9.316 -7.276 1.00 0.00 C ATOM 0 H VAL A 42 -4.406 -8.533 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.275 -8.552 -8.232 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.300 -7.433 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.895 -7.124 -8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.507 -6.017 -8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.596 -7.454 -9.310 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.631 -9.347 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.309 -9.772 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.056 -9.866 -6.477 1.00 0.00 H new ATOM 633 N ALA A 43 -3.910 -5.503 -7.063 1.00 0.00 N ATOM 634 CA ALA A 43 -3.504 -4.148 -7.415 1.00 0.00 C ATOM 635 C ALA A 43 -2.060 -4.113 -7.908 1.00 0.00 C ATOM 636 O ALA A 43 -1.754 -3.483 -8.918 1.00 0.00 O ATOM 637 CB ALA A 43 -3.681 -3.217 -6.228 1.00 0.00 C ATOM 0 H ALA A 43 -3.983 -5.674 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.144 -3.807 -8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.374 -2.209 -6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.729 -3.206 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.068 -3.566 -5.397 1.00 0.00 H new ATOM 643 N THR A 44 -1.178 -4.785 -7.170 1.00 0.00 N ATOM 644 CA THR A 44 0.244 -4.828 -7.506 1.00 0.00 C ATOM 645 C THR A 44 0.465 -5.192 -8.973 1.00 0.00 C ATOM 646 O THR A 44 1.254 -4.551 -9.669 1.00 0.00 O ATOM 647 CB THR A 44 0.959 -5.836 -6.606 1.00 0.00 C ATOM 648 OG1 THR A 44 0.926 -5.404 -5.259 1.00 0.00 O ATOM 649 CG2 THR A 44 2.406 -6.060 -6.980 1.00 0.00 C ATOM 0 H THR A 44 -1.425 -5.310 -6.331 1.00 0.00 H new ATOM 0 HA THR A 44 0.657 -3.833 -7.343 1.00 0.00 H new ATOM 0 HB THR A 44 0.422 -6.775 -6.739 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.053 -5.617 -4.868 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.849 -6.787 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.464 -6.437 -8.001 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.950 -5.118 -6.910 1.00 0.00 H new ATOM 657 N LEU A 45 -0.229 -6.226 -9.434 1.00 0.00 N ATOM 658 CA LEU A 45 -0.095 -6.684 -10.814 1.00 0.00 C ATOM 659 C LEU A 45 -0.555 -5.615 -11.799 1.00 0.00 C ATOM 660 O LEU A 45 0.203 -5.198 -12.674 1.00 0.00 O ATOM 661 CB LEU A 45 -0.900 -7.968 -11.025 1.00 0.00 C ATOM 662 CG LEU A 45 -0.232 -9.247 -10.510 1.00 0.00 C ATOM 663 CD1 LEU A 45 -1.069 -10.465 -10.869 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.179 -9.383 -11.066 1.00 0.00 C ATOM 0 H LEU A 45 -0.890 -6.764 -8.874 1.00 0.00 H new ATOM 0 HA LEU A 45 0.960 -6.886 -10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.866 -7.858 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.097 -8.084 -12.091 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.163 -9.183 -9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.580 -11.365 -10.496 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.056 -10.374 -10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.171 -10.530 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.633 -10.298 -10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.139 -9.422 -12.155 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.777 -8.526 -10.756 1.00 0.00 H new ATOM 676 N GLU A 46 -1.804 -5.182 -11.656 1.00 0.00 N ATOM 677 CA GLU A 46 -2.370 -4.164 -12.537 1.00 0.00 C ATOM 678 C GLU A 46 -1.647 -2.834 -12.370 1.00 0.00 C ATOM 679 O GLU A 46 -1.868 -1.893 -13.131 1.00 0.00 O ATOM 680 CB GLU A 46 -3.857 -3.986 -12.242 1.00 0.00 C ATOM 681 CG GLU A 46 -4.593 -5.302 -12.086 1.00 0.00 C ATOM 682 CD GLU A 46 -4.692 -6.073 -13.386 1.00 0.00 C ATOM 683 OE1 GLU A 46 -5.426 -5.623 -14.291 1.00 0.00 O ATOM 684 OE2 GLU A 46 -4.032 -7.128 -13.502 1.00 0.00 O ATOM 0 H GLU A 46 -2.445 -5.520 -10.938 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.243 -4.497 -13.567 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.973 -3.401 -11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.315 -3.413 -13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.081 -5.914 -11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.596 -5.110 -11.705 1.00 0.00 H new ATOM 691 N ALA A 47 -0.813 -2.754 -11.342 1.00 0.00 N ATOM 692 CA ALA A 47 -0.042 -1.546 -11.070 1.00 0.00 C ATOM 693 C ALA A 47 1.097 -1.383 -12.071 1.00 0.00 C ATOM 694 O ALA A 47 1.387 -0.274 -12.522 1.00 0.00 O ATOM 695 CB ALA A 47 0.502 -1.570 -9.650 1.00 0.00 C ATOM 0 H ALA A 47 -0.652 -3.513 -10.680 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.710 -0.691 -11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.075 -0.661 -9.464 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.326 -1.628 -8.944 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.148 -2.438 -9.523 1.00 0.00 H new ATOM 701 N MET A 48 1.747 -2.497 -12.400 1.00 0.00 N ATOM 702 CA MET A 48 2.879 -2.487 -13.322 1.00 0.00 C ATOM 703 C MET A 48 2.543 -1.768 -14.638 1.00 0.00 C ATOM 704 O MET A 48 3.316 -0.926 -15.090 1.00 0.00 O ATOM 705 CB MET A 48 3.375 -3.922 -13.572 1.00 0.00 C ATOM 706 CG MET A 48 3.328 -4.371 -15.024 1.00 0.00 C ATOM 707 SD MET A 48 4.760 -5.359 -15.494 1.00 0.00 S ATOM 708 CE MET A 48 4.826 -5.041 -17.256 1.00 0.00 C ATOM 0 H MET A 48 1.508 -3.421 -12.040 1.00 0.00 H new ATOM 0 HA MET A 48 3.686 -1.921 -12.857 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.401 -4.004 -13.215 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.774 -4.608 -12.975 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.421 -4.951 -15.191 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.269 -3.494 -15.669 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.663 -5.585 -17.693 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.897 -5.371 -17.720 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.958 -3.973 -17.428 1.00 0.00 H new ATOM 718 N PRO A 49 1.390 -2.071 -15.279 1.00 0.00 N ATOM 719 CA PRO A 49 1.006 -1.408 -16.529 1.00 0.00 C ATOM 720 C PRO A 49 0.631 0.054 -16.302 1.00 0.00 C ATOM 721 O PRO A 49 1.153 0.949 -16.967 1.00 0.00 O ATOM 722 CB PRO A 49 -0.205 -2.210 -17.008 1.00 0.00 C ATOM 723 CG PRO A 49 -0.782 -2.800 -15.769 1.00 0.00 C ATOM 724 CD PRO A 49 0.379 -3.057 -14.847 1.00 0.00 C ATOM 0 HA PRO A 49 1.821 -1.388 -17.252 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.927 -1.571 -17.516 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.088 -2.985 -17.716 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.500 -2.119 -15.311 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.316 -3.724 -15.990 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.101 -2.915 -13.803 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.748 -4.078 -14.942 1.00 0.00 H new ATOM 732 N GLN A 50 -0.270 0.287 -15.351 1.00 0.00 N ATOM 733 CA GLN A 50 -0.706 1.639 -15.016 1.00 0.00 C ATOM 734 C GLN A 50 0.378 2.402 -14.253 1.00 0.00 C ATOM 735 O GLN A 50 0.106 3.444 -13.658 1.00 0.00 O ATOM 736 CB GLN A 50 -1.989 1.589 -14.183 1.00 0.00 C ATOM 737 CG GLN A 50 -3.166 2.295 -14.834 1.00 0.00 C ATOM 738 CD GLN A 50 -4.496 1.900 -14.221 1.00 0.00 C ATOM 739 OE1 GLN A 50 -4.627 1.809 -13.000 1.00 0.00 O ATOM 740 NE2 GLN A 50 -5.491 1.664 -15.068 1.00 0.00 N ATOM 0 H GLN A 50 -0.713 -0.446 -14.797 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.900 2.167 -15.950 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.255 0.547 -14.004 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.798 2.041 -13.210 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.034 3.373 -14.742 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.179 2.065 -15.899 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.337 1.752 -16.073 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.409 1.395 -14.714 1.00 0.00 H new ATOM 749 N LEU A 51 1.601 1.872 -14.271 1.00 0.00 N ATOM 750 CA LEU A 51 2.725 2.485 -13.573 1.00 0.00 C ATOM 751 C LEU A 51 2.799 3.989 -13.825 1.00 0.00 C ATOM 752 O LEU A 51 2.310 4.487 -14.840 1.00 0.00 O ATOM 753 CB LEU A 51 4.032 1.819 -14.011 1.00 0.00 C ATOM 754 CG LEU A 51 4.692 2.425 -15.254 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.105 2.888 -14.936 1.00 0.00 C ATOM 756 CD2 LEU A 51 4.703 1.423 -16.397 1.00 0.00 C ATOM 0 H LEU A 51 1.837 1.012 -14.767 1.00 0.00 H new ATOM 0 HA LEU A 51 2.574 2.336 -12.504 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.740 1.868 -13.184 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.837 0.764 -14.202 1.00 0.00 H new ATOM 0 HG LEU A 51 4.108 3.291 -15.564 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.558 3.315 -15.831 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.072 3.642 -14.150 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.699 2.038 -14.599 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.176 1.872 -17.270 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.262 0.536 -16.098 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.679 1.141 -16.643 1.00 0.00 H new ATOM 768 N LYS A 52 3.431 4.702 -12.898 1.00 0.00 N ATOM 769 CA LYS A 52 3.586 6.147 -13.012 1.00 0.00 C ATOM 770 C LYS A 52 5.055 6.544 -12.894 1.00 0.00 C ATOM 771 O LYS A 52 5.944 5.700 -12.997 1.00 0.00 O ATOM 772 CB LYS A 52 2.766 6.853 -11.929 1.00 0.00 C ATOM 773 CG LYS A 52 1.277 6.892 -12.221 1.00 0.00 C ATOM 774 CD LYS A 52 0.824 8.285 -12.627 1.00 0.00 C ATOM 775 CE LYS A 52 -0.689 8.369 -12.741 1.00 0.00 C ATOM 776 NZ LYS A 52 -1.346 8.371 -11.406 1.00 0.00 N ATOM 0 H LYS A 52 3.845 4.300 -12.057 1.00 0.00 H new ATOM 0 HA LYS A 52 3.222 6.454 -13.992 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.928 6.349 -10.976 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.132 7.873 -11.815 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.043 6.186 -13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.724 6.571 -11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.175 9.011 -11.894 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.277 8.552 -13.582 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.963 9.275 -13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.057 7.526 -13.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.361 8.565 -11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.219 7.442 -10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.917 9.107 -10.809 1.00 0.00 H new ATOM 790 N LYS A 53 5.301 7.832 -12.671 1.00 0.00 N ATOM 791 CA LYS A 53 6.660 8.338 -12.530 1.00 0.00 C ATOM 792 C LYS A 53 7.122 8.256 -11.078 1.00 0.00 C ATOM 793 O LYS A 53 7.770 9.169 -10.567 1.00 0.00 O ATOM 794 CB LYS A 53 6.742 9.783 -13.025 1.00 0.00 C ATOM 795 CG LYS A 53 6.401 9.939 -14.498 1.00 0.00 C ATOM 796 CD LYS A 53 6.292 11.403 -14.895 1.00 0.00 C ATOM 797 CE LYS A 53 5.464 11.577 -16.159 1.00 0.00 C ATOM 798 NZ LYS A 53 5.060 12.995 -16.368 1.00 0.00 N ATOM 0 H LYS A 53 4.575 8.544 -12.584 1.00 0.00 H new ATOM 0 HA LYS A 53 7.319 7.717 -13.137 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.063 10.400 -12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.749 10.162 -12.851 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.167 9.453 -15.103 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.459 9.433 -14.710 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.839 11.969 -14.081 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.289 11.814 -15.053 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.038 11.233 -17.019 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.574 10.951 -16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.498 13.071 -17.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.491 13.317 -15.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.909 13.589 -16.451 1.00 0.00 H new ATOM 812 N GLY A 54 6.779 7.152 -10.419 1.00 0.00 N ATOM 813 CA GLY A 54 7.157 6.964 -9.031 1.00 0.00 C ATOM 814 C GLY A 54 5.988 6.525 -8.171 1.00 0.00 C ATOM 815 O GLY A 54 5.037 7.281 -7.977 1.00 0.00 O ATOM 0 H GLY A 54 6.245 6.383 -10.824 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.950 6.219 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.565 7.896 -8.638 1.00 0.00 H new ATOM 819 N GLU A 55 6.054 5.297 -7.666 1.00 0.00 N ATOM 820 CA GLU A 55 4.990 4.756 -6.828 1.00 0.00 C ATOM 821 C GLU A 55 5.558 4.045 -5.605 1.00 0.00 C ATOM 822 O GLU A 55 6.762 4.077 -5.364 1.00 0.00 O ATOM 823 CB GLU A 55 4.112 3.798 -7.631 1.00 0.00 C ATOM 824 CG GLU A 55 4.848 2.570 -8.140 1.00 0.00 C ATOM 825 CD GLU A 55 3.921 1.558 -8.784 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.023 1.977 -9.546 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.093 0.348 -8.529 1.00 0.00 O ATOM 0 H GLU A 55 6.833 4.658 -7.823 1.00 0.00 H new ATOM 0 HA GLU A 55 4.380 5.591 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.277 3.477 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.689 4.334 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.603 2.878 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.375 2.098 -7.311 1.00 0.00 H new ATOM 834 N ILE A 56 4.670 3.459 -4.801 1.00 0.00 N ATOM 835 CA ILE A 56 5.077 2.749 -3.595 1.00 0.00 C ATOM 836 C ILE A 56 3.975 1.795 -3.116 1.00 0.00 C ATOM 837 O ILE A 56 2.786 2.028 -3.339 1.00 0.00 O ATOM 838 CB ILE A 56 5.458 3.737 -2.461 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.970 3.976 -2.456 1.00 0.00 C ATOM 840 CG2 ILE A 56 5.007 3.227 -1.100 1.00 0.00 C ATOM 841 CD1 ILE A 56 7.401 5.138 -1.589 1.00 0.00 C ATOM 0 H ILE A 56 3.663 3.464 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 56 5.959 2.160 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 56 4.944 4.678 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.470 3.071 -2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.304 4.154 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.291 3.945 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.924 3.103 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.483 2.268 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.485 5.245 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.930 6.053 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.099 4.954 -0.558 1.00 0.00 H new ATOM 853 N LEU A 57 4.381 0.731 -2.442 1.00 0.00 N ATOM 854 CA LEU A 57 3.437 -0.234 -1.904 1.00 0.00 C ATOM 855 C LEU A 57 3.682 -0.454 -0.437 1.00 0.00 C ATOM 856 O LEU A 57 4.783 -0.224 0.065 1.00 0.00 O ATOM 857 CB LEU A 57 3.577 -1.570 -2.611 1.00 0.00 C ATOM 858 CG LEU A 57 2.276 -2.346 -2.814 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.430 -1.693 -3.893 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.571 -3.796 -3.167 1.00 0.00 C ATOM 0 H LEU A 57 5.360 0.514 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 57 2.435 0.167 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.034 -1.399 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.266 -2.193 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 57 1.713 -2.328 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.508 -2.259 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.190 -0.671 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.984 -1.680 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.634 -4.334 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.154 -3.835 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.137 -4.259 -2.359 1.00 0.00 H new ATOM 872 N GLU A 58 2.667 -0.947 0.243 1.00 0.00 N ATOM 873 CA GLU A 58 2.809 -1.279 1.635 1.00 0.00 C ATOM 874 C GLU A 58 1.989 -2.517 1.966 1.00 0.00 C ATOM 875 O GLU A 58 0.762 -2.462 2.014 1.00 0.00 O ATOM 876 CB GLU A 58 2.391 -0.106 2.529 1.00 0.00 C ATOM 877 CG GLU A 58 2.767 1.261 1.975 1.00 0.00 C ATOM 878 CD GLU A 58 2.298 2.397 2.861 1.00 0.00 C ATOM 879 OE1 GLU A 58 1.069 2.577 2.996 1.00 0.00 O ATOM 880 OE2 GLU A 58 3.159 3.109 3.420 1.00 0.00 O ATOM 0 H GLU A 58 1.742 -1.124 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 58 3.861 -1.490 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.312 -0.142 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.851 -0.228 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.849 1.317 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.335 1.378 0.981 1.00 0.00 H new ATOM 887 N VAL A 59 2.672 -3.631 2.192 1.00 0.00 N ATOM 888 CA VAL A 59 1.998 -4.891 2.469 1.00 0.00 C ATOM 889 C VAL A 59 2.337 -5.415 3.858 1.00 0.00 C ATOM 890 O VAL A 59 3.466 -5.820 4.122 1.00 0.00 O ATOM 891 CB VAL A 59 2.374 -5.965 1.432 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.590 -7.242 1.690 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.132 -5.457 0.019 1.00 0.00 C ATOM 0 H VAL A 59 3.690 -3.687 2.189 1.00 0.00 H new ATOM 0 HA VAL A 59 0.928 -4.688 2.413 1.00 0.00 H new ATOM 0 HB VAL A 59 3.437 -6.187 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.865 -7.994 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.820 -7.615 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.522 -7.035 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.404 -6.232 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.078 -5.205 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.740 -4.570 -0.158 1.00 0.00 H new ATOM 903 N VAL A 60 1.340 -5.428 4.732 1.00 0.00 N ATOM 904 CA VAL A 60 1.506 -5.953 6.080 1.00 0.00 C ATOM 905 C VAL A 60 0.570 -7.135 6.289 1.00 0.00 C ATOM 906 O VAL A 60 -0.613 -6.962 6.584 1.00 0.00 O ATOM 907 CB VAL A 60 1.229 -4.877 7.147 1.00 0.00 C ATOM 908 CG1 VAL A 60 1.337 -5.462 8.547 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.184 -3.704 6.978 1.00 0.00 C ATOM 0 H VAL A 60 0.403 -5.079 4.530 1.00 0.00 H new ATOM 0 HA VAL A 60 2.542 -6.275 6.189 1.00 0.00 H new ATOM 0 HB VAL A 60 0.210 -4.515 7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.137 -4.683 9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.610 -6.266 8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.341 -5.857 8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.975 -2.952 7.739 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.211 -4.053 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.050 -3.266 5.989 1.00 0.00 H new ATOM 919 N SER A 61 1.088 -8.336 6.070 1.00 0.00 N ATOM 920 CA SER A 61 0.277 -9.536 6.176 1.00 0.00 C ATOM 921 C SER A 61 0.884 -10.548 7.136 1.00 0.00 C ATOM 922 O SER A 61 2.022 -10.398 7.581 1.00 0.00 O ATOM 923 CB SER A 61 0.107 -10.171 4.795 1.00 0.00 C ATOM 924 OG SER A 61 1.354 -10.299 4.136 1.00 0.00 O ATOM 0 H SER A 61 2.062 -8.503 5.819 1.00 0.00 H new ATOM 0 HA SER A 61 -0.696 -9.244 6.572 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.356 -11.152 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.566 -9.562 4.192 1.00 0.00 H new ATOM 0 HG SER A 61 1.218 -10.709 3.256 1.00 0.00 H new ATOM 930 N ASP A 62 0.122 -11.597 7.418 1.00 0.00 N ATOM 931 CA ASP A 62 0.570 -12.656 8.313 1.00 0.00 C ATOM 932 C ASP A 62 0.644 -13.988 7.573 1.00 0.00 C ATOM 933 O ASP A 62 -0.344 -14.445 7.001 1.00 0.00 O ATOM 934 CB ASP A 62 -0.376 -12.777 9.504 1.00 0.00 C ATOM 935 CG ASP A 62 0.330 -12.582 10.830 1.00 0.00 C ATOM 936 OD1 ASP A 62 1.537 -12.892 10.911 1.00 0.00 O ATOM 937 OD2 ASP A 62 -0.325 -12.123 11.789 1.00 0.00 O ATOM 0 H ASP A 62 -0.814 -11.737 7.038 1.00 0.00 H new ATOM 0 HA ASP A 62 1.566 -12.400 8.674 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.172 -12.038 9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.849 -13.759 9.489 1.00 0.00 H new ATOM 942 N CYS A 63 1.826 -14.598 7.576 1.00 0.00 N ATOM 943 CA CYS A 63 2.025 -15.874 6.896 1.00 0.00 C ATOM 944 C CYS A 63 3.072 -16.721 7.618 1.00 0.00 C ATOM 945 O CYS A 63 4.158 -16.237 7.939 1.00 0.00 O ATOM 946 CB CYS A 63 2.453 -15.641 5.445 1.00 0.00 C ATOM 947 SG CYS A 63 4.056 -14.822 5.268 1.00 0.00 S ATOM 0 H CYS A 63 2.657 -14.231 8.040 1.00 0.00 H new ATOM 0 HA CYS A 63 1.078 -16.414 6.907 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.489 -16.601 4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.693 -15.040 4.946 1.00 0.00 H new ATOM 0 HG CYS A 63 4.777 -15.047 6.326 1.00 0.00 H new ATOM 953 N PRO A 64 2.762 -18.005 7.880 1.00 0.00 N ATOM 954 CA PRO A 64 3.684 -18.916 8.563 1.00 0.00 C ATOM 955 C PRO A 64 4.798 -19.408 7.645 1.00 0.00 C ATOM 956 O PRO A 64 5.744 -20.055 8.092 1.00 0.00 O ATOM 957 CB PRO A 64 2.781 -20.076 8.977 1.00 0.00 C ATOM 958 CG PRO A 64 1.714 -20.103 7.937 1.00 0.00 C ATOM 959 CD PRO A 64 1.488 -18.670 7.534 1.00 0.00 C ATOM 0 HA PRO A 64 4.196 -18.435 9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.331 -21.017 9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.363 -19.919 9.971 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.019 -20.705 7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.799 -20.547 8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.267 -18.583 6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.648 -18.230 8.071 1.00 0.00 H new ATOM 967 N GLN A 65 4.674 -19.099 6.358 1.00 0.00 N ATOM 968 CA GLN A 65 5.667 -19.512 5.372 1.00 0.00 C ATOM 969 C GLN A 65 6.663 -18.389 5.097 1.00 0.00 C ATOM 970 O GLN A 65 6.718 -17.401 5.830 1.00 0.00 O ATOM 971 CB GLN A 65 4.979 -19.929 4.070 1.00 0.00 C ATOM 972 CG GLN A 65 4.074 -21.141 4.221 1.00 0.00 C ATOM 973 CD GLN A 65 2.905 -21.121 3.256 1.00 0.00 C ATOM 974 OE1 GLN A 65 2.995 -20.554 2.166 1.00 0.00 O ATOM 975 NE2 GLN A 65 1.800 -21.743 3.650 1.00 0.00 N ATOM 0 H GLN A 65 3.896 -18.564 5.973 1.00 0.00 H new ATOM 0 HA GLN A 65 6.212 -20.364 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.391 -19.091 3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.740 -20.145 3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.657 -22.048 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.696 -21.182 5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.769 -22.200 4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.982 -21.764 3.041 1.00 0.00 H new ATOM 984 N SER A 66 7.451 -18.548 4.036 1.00 0.00 N ATOM 985 CA SER A 66 8.446 -17.548 3.666 1.00 0.00 C ATOM 986 C SER A 66 8.102 -16.904 2.326 1.00 0.00 C ATOM 987 O SER A 66 8.491 -15.768 2.055 1.00 0.00 O ATOM 988 CB SER A 66 9.835 -18.185 3.595 1.00 0.00 C ATOM 989 OG SER A 66 10.843 -17.255 3.954 1.00 0.00 O ATOM 0 H SER A 66 7.419 -19.359 3.419 1.00 0.00 H new ATOM 0 HA SER A 66 8.446 -16.772 4.431 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.877 -19.047 4.261 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.018 -18.553 2.585 1.00 0.00 H new ATOM 0 HG SER A 66 11.721 -17.688 3.902 1.00 0.00 H new ATOM 995 N ILE A 67 7.372 -17.638 1.491 1.00 0.00 N ATOM 996 CA ILE A 67 6.977 -17.136 0.180 1.00 0.00 C ATOM 997 C ILE A 67 6.003 -15.971 0.311 1.00 0.00 C ATOM 998 O ILE A 67 4.947 -16.097 0.930 1.00 0.00 O ATOM 999 CB ILE A 67 6.334 -18.241 -0.679 1.00 0.00 C ATOM 1000 CG1 ILE A 67 7.256 -19.462 -0.749 1.00 0.00 C ATOM 1001 CG2 ILE A 67 6.029 -17.722 -2.076 1.00 0.00 C ATOM 1002 CD1 ILE A 67 6.531 -20.750 -1.070 1.00 0.00 C ATOM 0 H ILE A 67 7.043 -18.581 1.699 1.00 0.00 H new ATOM 0 HA ILE A 67 7.886 -16.792 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 67 5.395 -18.541 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.021 -19.287 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.771 -19.573 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.575 -18.517 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.340 -16.880 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.953 -17.397 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.246 -21.572 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.785 -20.949 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.038 -20.659 -2.038 1.00 0.00 H new ATOM 1014 N ASN A 68 6.366 -14.836 -0.278 1.00 0.00 N ATOM 1015 CA ASN A 68 5.531 -13.643 -0.228 1.00 0.00 C ATOM 1016 C ASN A 68 4.591 -13.587 -1.430 1.00 0.00 C ATOM 1017 O ASN A 68 5.017 -13.764 -2.571 1.00 0.00 O ATOM 1018 CB ASN A 68 6.406 -12.391 -0.187 1.00 0.00 C ATOM 1019 CG ASN A 68 7.712 -12.621 0.549 1.00 0.00 C ATOM 1020 OD1 ASN A 68 8.792 -12.383 0.010 1.00 0.00 O ATOM 1021 ND2 ASN A 68 7.618 -13.090 1.787 1.00 0.00 N ATOM 0 H ASN A 68 7.236 -14.718 -0.797 1.00 0.00 H new ATOM 0 HA ASN A 68 4.927 -13.685 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.619 -12.066 -1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.857 -11.583 0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.463 -13.267 2.331 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.701 -13.273 2.195 1.00 0.00 H new ATOM 1028 N ASN A 69 3.309 -13.358 -1.162 1.00 0.00 N ATOM 1029 CA ASN A 69 2.299 -13.310 -2.216 1.00 0.00 C ATOM 1030 C ASN A 69 2.408 -12.041 -3.059 1.00 0.00 C ATOM 1031 O ASN A 69 2.760 -12.098 -4.237 1.00 0.00 O ATOM 1032 CB ASN A 69 0.899 -13.408 -1.610 1.00 0.00 C ATOM 1033 CG ASN A 69 -0.124 -13.927 -2.601 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -1.149 -13.291 -2.846 1.00 0.00 O ATOM 1035 ND2 ASN A 69 0.151 -15.091 -3.181 1.00 0.00 N ATOM 0 H ASN A 69 2.944 -13.202 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 69 2.476 -14.162 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.927 -14.067 -0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.590 -12.425 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.499 -15.490 -3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.012 -15.585 -2.949 1.00 0.00 H new ATOM 1042 N ILE A 70 2.058 -10.903 -2.461 1.00 0.00 N ATOM 1043 CA ILE A 70 2.058 -9.623 -3.173 1.00 0.00 C ATOM 1044 C ILE A 70 3.373 -9.379 -3.927 1.00 0.00 C ATOM 1045 O ILE A 70 3.354 -9.094 -5.125 1.00 0.00 O ATOM 1046 CB ILE A 70 1.774 -8.426 -2.232 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.826 -8.826 -1.093 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.189 -7.263 -3.020 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.470 -9.453 -1.560 1.00 0.00 C ATOM 0 H ILE A 70 1.770 -10.840 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 70 1.248 -9.693 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 70 2.720 -8.115 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.340 -9.527 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.596 -7.942 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.994 -6.429 -2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.897 -6.952 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.257 -7.575 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.084 -9.707 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.008 -8.747 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.253 -10.357 -2.129 1.00 0.00 H new ATOM 1061 N PRO A 71 4.535 -9.488 -3.250 1.00 0.00 N ATOM 1062 CA PRO A 71 5.840 -9.254 -3.887 1.00 0.00 C ATOM 1063 C PRO A 71 6.084 -10.161 -5.090 1.00 0.00 C ATOM 1064 O PRO A 71 6.585 -9.714 -6.121 1.00 0.00 O ATOM 1065 CB PRO A 71 6.844 -9.564 -2.775 1.00 0.00 C ATOM 1066 CG PRO A 71 6.082 -9.364 -1.515 1.00 0.00 C ATOM 1067 CD PRO A 71 4.679 -9.806 -1.817 1.00 0.00 C ATOM 0 HA PRO A 71 5.915 -8.241 -4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.220 -10.584 -2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.708 -8.901 -2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.510 -9.949 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.106 -8.320 -1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.540 -10.870 -1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.948 -9.273 -1.209 1.00 0.00 H new ATOM 1075 N LEU A 72 5.741 -11.438 -4.948 1.00 0.00 N ATOM 1076 CA LEU A 72 5.938 -12.407 -6.021 1.00 0.00 C ATOM 1077 C LEU A 72 5.156 -12.013 -7.271 1.00 0.00 C ATOM 1078 O LEU A 72 5.480 -12.441 -8.378 1.00 0.00 O ATOM 1079 CB LEU A 72 5.509 -13.802 -5.559 1.00 0.00 C ATOM 1080 CG LEU A 72 5.830 -14.936 -6.535 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.385 -16.140 -5.789 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.592 -15.323 -7.330 1.00 0.00 C ATOM 0 H LEU A 72 5.326 -11.826 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 72 6.999 -12.420 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.992 -14.016 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.434 -13.793 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 72 6.590 -14.585 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.608 -16.937 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.298 -15.855 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.648 -16.492 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.840 -16.131 -8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.810 -15.655 -6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.238 -14.461 -7.895 1.00 0.00 H new ATOM 1094 N ASP A 73 4.125 -11.197 -7.084 1.00 0.00 N ATOM 1095 CA ASP A 73 3.293 -10.751 -8.197 1.00 0.00 C ATOM 1096 C ASP A 73 4.042 -9.752 -9.070 1.00 0.00 C ATOM 1097 O ASP A 73 4.213 -9.971 -10.270 1.00 0.00 O ATOM 1098 CB ASP A 73 1.997 -10.127 -7.678 1.00 0.00 C ATOM 1099 CG ASP A 73 0.942 -11.168 -7.361 1.00 0.00 C ATOM 1100 OD1 ASP A 73 1.274 -12.161 -6.680 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.216 -10.991 -7.795 1.00 0.00 O ATOM 0 H ASP A 73 3.845 -10.831 -6.174 1.00 0.00 H new ATOM 0 HA ASP A 73 3.047 -11.622 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.211 -9.545 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.607 -9.433 -8.423 1.00 0.00 H new ATOM 1106 N ALA A 74 4.486 -8.657 -8.464 1.00 0.00 N ATOM 1107 CA ALA A 74 5.227 -7.633 -9.192 1.00 0.00 C ATOM 1108 C ALA A 74 6.501 -8.215 -9.794 1.00 0.00 C ATOM 1109 O ALA A 74 6.849 -7.926 -10.938 1.00 0.00 O ATOM 1110 CB ALA A 74 5.557 -6.464 -8.277 1.00 0.00 C ATOM 0 H ALA A 74 4.347 -8.455 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 74 4.599 -7.270 -10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.110 -5.709 -8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.633 -6.029 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.165 -6.815 -7.443 1.00 0.00 H new ATOM 1116 N ARG A 75 7.181 -9.051 -9.017 1.00 0.00 N ATOM 1117 CA ARG A 75 8.413 -9.687 -9.469 1.00 0.00 C ATOM 1118 C ARG A 75 8.156 -10.578 -10.678 1.00 0.00 C ATOM 1119 O ARG A 75 9.006 -10.701 -11.561 1.00 0.00 O ATOM 1120 CB ARG A 75 9.029 -10.507 -8.332 1.00 0.00 C ATOM 1121 CG ARG A 75 10.248 -11.315 -8.750 1.00 0.00 C ATOM 1122 CD ARG A 75 11.515 -10.790 -8.095 1.00 0.00 C ATOM 1123 NE ARG A 75 12.575 -11.794 -8.073 1.00 0.00 N ATOM 1124 CZ ARG A 75 13.216 -12.169 -6.969 1.00 0.00 C ATOM 1125 NH1 ARG A 75 12.905 -11.624 -5.800 1.00 0.00 N ATOM 1126 NH2 ARG A 75 14.168 -13.090 -7.032 1.00 0.00 N ATOM 0 H ARG A 75 6.899 -9.304 -8.070 1.00 0.00 H new ATOM 0 HA ARG A 75 9.112 -8.905 -9.765 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.311 -9.834 -7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.274 -11.185 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.103 -12.361 -8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.356 -11.279 -9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.862 -9.908 -8.633 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.293 -10.475 -7.075 1.00 0.00 H new ATOM 0 HE ARG A 75 12.839 -12.233 -8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.173 -10.916 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.398 -11.913 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.410 -13.513 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.658 -13.376 -6.184 1.00 0.00 H new ATOM 1140 N ASN A 76 6.979 -11.194 -10.715 1.00 0.00 N ATOM 1141 CA ASN A 76 6.608 -12.064 -11.825 1.00 0.00 C ATOM 1142 C ASN A 76 6.632 -11.294 -13.140 1.00 0.00 C ATOM 1143 O ASN A 76 7.393 -11.621 -14.051 1.00 0.00 O ATOM 1144 CB ASN A 76 5.219 -12.661 -11.594 1.00 0.00 C ATOM 1145 CG ASN A 76 5.019 -13.964 -12.343 1.00 0.00 C ATOM 1146 OD1 ASN A 76 5.284 -14.051 -13.542 1.00 0.00 O ATOM 1147 ND2 ASN A 76 4.548 -14.986 -11.637 1.00 0.00 N ATOM 0 H ASN A 76 6.267 -11.107 -9.990 1.00 0.00 H new ATOM 0 HA ASN A 76 7.335 -12.874 -11.881 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.073 -12.832 -10.527 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.461 -11.944 -11.909 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.392 -15.888 -12.087 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.342 -14.869 -10.645 1.00 0.00 H new ATOM 1154 N HIS A 77 5.797 -10.262 -13.229 1.00 0.00 N ATOM 1155 CA HIS A 77 5.728 -9.433 -14.425 1.00 0.00 C ATOM 1156 C HIS A 77 6.964 -8.547 -14.546 1.00 0.00 C ATOM 1157 O HIS A 77 7.795 -8.742 -15.433 1.00 0.00 O ATOM 1158 CB HIS A 77 4.466 -8.569 -14.400 1.00 0.00 C ATOM 1159 CG HIS A 77 3.248 -9.267 -14.921 1.00 0.00 C ATOM 1160 ND1 HIS A 77 2.030 -9.145 -14.296 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.111 -10.072 -16.005 1.00 0.00 C ATOM 1162 CE1 HIS A 77 1.185 -9.874 -15.003 1.00 0.00 C ATOM 1163 NE2 HIS A 77 1.795 -10.453 -16.046 1.00 0.00 N ATOM 0 H HIS A 77 5.158 -9.981 -12.485 1.00 0.00 H new ATOM 0 HA HIS A 77 5.691 -10.093 -15.292 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.278 -8.245 -13.376 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.640 -7.670 -14.992 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.887 -10.357 -16.700 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.137 -9.989 -14.770 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.362 -11.062 -16.740 1.00 0.00 H new ATOM 1171 N GLY A 78 7.078 -7.572 -13.647 1.00 0.00 N ATOM 1172 CA GLY A 78 8.218 -6.673 -13.666 1.00 0.00 C ATOM 1173 C GLY A 78 7.956 -5.380 -12.916 1.00 0.00 C ATOM 1174 O GLY A 78 7.269 -4.490 -13.417 1.00 0.00 O ATOM 0 H GLY A 78 6.401 -7.389 -12.906 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.079 -7.176 -13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.477 -6.443 -14.699 1.00 0.00 H new ATOM 1178 N TYR A 79 8.519 -5.279 -11.719 1.00 0.00 N ATOM 1179 CA TYR A 79 8.347 -4.104 -10.874 1.00 0.00 C ATOM 1180 C TYR A 79 9.471 -3.095 -11.091 1.00 0.00 C ATOM 1181 O TYR A 79 10.211 -3.168 -12.072 1.00 0.00 O ATOM 1182 CB TYR A 79 8.349 -4.541 -9.410 1.00 0.00 C ATOM 1183 CG TYR A 79 9.626 -5.260 -9.021 1.00 0.00 C ATOM 1184 CD1 TYR A 79 9.744 -6.635 -9.165 1.00 0.00 C ATOM 1185 CD2 TYR A 79 10.723 -4.556 -8.541 1.00 0.00 C ATOM 1186 CE1 TYR A 79 10.912 -7.292 -8.829 1.00 0.00 C ATOM 1187 CE2 TYR A 79 11.899 -5.204 -8.208 1.00 0.00 C ATOM 1188 CZ TYR A 79 11.986 -6.572 -8.350 1.00 0.00 C ATOM 1189 OH TYR A 79 13.150 -7.223 -8.011 1.00 0.00 O ATOM 0 H TYR A 79 9.105 -6.005 -11.308 1.00 0.00 H new ATOM 0 HA TYR A 79 7.402 -3.628 -11.135 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.220 -3.666 -8.773 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.497 -5.196 -9.228 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.908 -7.202 -9.547 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.657 -3.484 -8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.983 -8.364 -8.941 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.744 -4.641 -7.839 1.00 0.00 H new ATOM 0 HH TYR A 79 13.808 -6.571 -7.692 1.00 0.00 H new ATOM 1199 N THR A 80 9.615 -2.179 -10.135 1.00 0.00 N ATOM 1200 CA THR A 80 10.693 -1.198 -10.154 1.00 0.00 C ATOM 1201 C THR A 80 11.642 -1.471 -8.992 1.00 0.00 C ATOM 1202 O THR A 80 12.845 -1.644 -9.182 1.00 0.00 O ATOM 1203 CB THR A 80 10.134 0.222 -10.060 1.00 0.00 C ATOM 1204 OG1 THR A 80 8.785 0.261 -10.493 1.00 0.00 O ATOM 1205 CG2 THR A 80 10.911 1.226 -10.882 1.00 0.00 C ATOM 0 H THR A 80 8.991 -2.098 -9.332 1.00 0.00 H new ATOM 0 HA THR A 80 11.236 -1.284 -11.095 1.00 0.00 H new ATOM 0 HB THR A 80 10.218 0.496 -9.008 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.756 0.264 -11.473 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.462 2.213 -10.771 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.945 1.257 -10.537 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.887 0.933 -11.932 1.00 0.00 H new ATOM 1213 N VAL A 81 11.072 -1.559 -7.791 1.00 0.00 N ATOM 1214 CA VAL A 81 11.831 -1.882 -6.588 1.00 0.00 C ATOM 1215 C VAL A 81 10.990 -2.748 -5.651 1.00 0.00 C ATOM 1216 O VAL A 81 9.933 -2.326 -5.185 1.00 0.00 O ATOM 1217 CB VAL A 81 12.293 -0.619 -5.835 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.139 -0.998 -4.628 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.061 0.313 -6.759 1.00 0.00 C ATOM 0 H VAL A 81 10.077 -1.409 -7.627 1.00 0.00 H new ATOM 0 HA VAL A 81 12.719 -2.428 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 81 11.408 -0.089 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.457 -0.094 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.551 -1.618 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.016 -1.554 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.376 1.197 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.938 -0.203 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.420 0.614 -7.587 1.00 0.00 H new ATOM 1229 N LEU A 82 11.468 -3.959 -5.382 1.00 0.00 N ATOM 1230 CA LEU A 82 10.754 -4.901 -4.527 1.00 0.00 C ATOM 1231 C LEU A 82 11.622 -5.336 -3.350 1.00 0.00 C ATOM 1232 O LEU A 82 12.655 -5.981 -3.533 1.00 0.00 O ATOM 1233 CB LEU A 82 10.334 -6.135 -5.339 1.00 0.00 C ATOM 1234 CG LEU A 82 8.832 -6.275 -5.615 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.113 -6.785 -4.377 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.239 -4.951 -6.065 1.00 0.00 C ATOM 0 H LEU A 82 12.353 -4.313 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 82 9.867 -4.400 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.859 -6.114 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.671 -7.026 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 82 8.698 -6.998 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.048 -6.879 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.515 -7.759 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.260 -6.083 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.173 -5.076 -6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.384 -4.204 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.734 -4.622 -6.979 1.00 0.00 H new ATOM 1248 N ASP A 83 11.195 -4.976 -2.143 1.00 0.00 N ATOM 1249 CA ASP A 83 11.925 -5.333 -0.930 1.00 0.00 C ATOM 1250 C ASP A 83 10.963 -5.772 0.168 1.00 0.00 C ATOM 1251 O ASP A 83 9.791 -5.397 0.162 1.00 0.00 O ATOM 1252 CB ASP A 83 12.763 -4.147 -0.446 1.00 0.00 C ATOM 1253 CG ASP A 83 12.066 -2.819 -0.662 1.00 0.00 C ATOM 1254 OD1 ASP A 83 11.098 -2.530 0.074 1.00 0.00 O ATOM 1255 OD2 ASP A 83 12.487 -2.068 -1.566 1.00 0.00 O ATOM 0 H ASP A 83 10.345 -4.436 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 83 12.589 -6.165 -1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.983 -4.270 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.718 -4.142 -0.971 1.00 0.00 H new ATOM 1260 N ILE A 84 11.459 -6.575 1.104 1.00 0.00 N ATOM 1261 CA ILE A 84 10.627 -7.065 2.198 1.00 0.00 C ATOM 1262 C ILE A 84 11.326 -6.915 3.546 1.00 0.00 C ATOM 1263 O ILE A 84 12.529 -6.662 3.614 1.00 0.00 O ATOM 1264 CB ILE A 84 10.240 -8.545 2.003 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.448 -9.454 2.243 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.669 -8.770 0.612 1.00 0.00 C ATOM 1267 CD1 ILE A 84 11.093 -10.922 2.339 1.00 0.00 C ATOM 0 H ILE A 84 12.426 -6.899 1.128 1.00 0.00 H new ATOM 0 HA ILE A 84 9.724 -6.454 2.190 1.00 0.00 H new ATOM 0 HB ILE A 84 9.471 -8.797 2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.164 -9.314 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.945 -9.148 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.402 -9.820 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.781 -8.153 0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.414 -8.499 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.998 -11.505 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.401 -11.076 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 84 10.624 -11.244 1.410 1.00 0.00 H new ATOM 1279 N GLN A 85 10.555 -7.082 4.615 1.00 0.00 N ATOM 1280 CA GLN A 85 11.080 -6.992 5.971 1.00 0.00 C ATOM 1281 C GLN A 85 10.214 -7.802 6.932 1.00 0.00 C ATOM 1282 O GLN A 85 9.097 -8.191 6.592 1.00 0.00 O ATOM 1283 CB GLN A 85 11.140 -5.531 6.424 1.00 0.00 C ATOM 1284 CG GLN A 85 12.164 -5.275 7.518 1.00 0.00 C ATOM 1285 CD GLN A 85 12.119 -3.851 8.037 1.00 0.00 C ATOM 1286 OE1 GLN A 85 11.117 -3.415 8.604 1.00 0.00 O ATOM 1287 NE2 GLN A 85 13.209 -3.117 7.845 1.00 0.00 N ATOM 0 H GLN A 85 9.556 -7.282 4.566 1.00 0.00 H new ATOM 0 HA GLN A 85 12.089 -7.403 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.374 -4.902 5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.155 -5.229 6.782 1.00 0.00 H new ATOM 0 HG2 GLN A 85 11.988 -5.964 8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.162 -5.486 7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.017 -3.519 7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.238 -2.151 8.173 1.00 0.00 H new ATOM 1296 N GLN A 86 10.733 -8.054 8.128 1.00 0.00 N ATOM 1297 CA GLN A 86 9.997 -8.817 9.131 1.00 0.00 C ATOM 1298 C GLN A 86 10.034 -8.112 10.482 1.00 0.00 C ATOM 1299 O GLN A 86 11.013 -7.443 10.815 1.00 0.00 O ATOM 1300 CB GLN A 86 10.580 -10.225 9.261 1.00 0.00 C ATOM 1301 CG GLN A 86 9.524 -11.313 9.380 1.00 0.00 C ATOM 1302 CD GLN A 86 9.966 -12.626 8.764 1.00 0.00 C ATOM 1303 OE1 GLN A 86 11.155 -12.855 8.546 1.00 0.00 O ATOM 1304 NE2 GLN A 86 9.005 -13.498 8.481 1.00 0.00 N ATOM 0 H GLN A 86 11.657 -7.743 8.427 1.00 0.00 H new ATOM 0 HA GLN A 86 8.959 -8.891 8.807 1.00 0.00 H new ATOM 0 HB2 GLN A 86 11.206 -10.431 8.393 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.228 -10.262 10.137 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.288 -11.471 10.432 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.607 -10.979 8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.032 -13.266 8.679 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.240 -14.400 8.066 1.00 0.00 H new ATOM 1313 N ASP A 87 8.960 -8.257 11.254 1.00 0.00 N ATOM 1314 CA ASP A 87 8.884 -7.636 12.570 1.00 0.00 C ATOM 1315 C ASP A 87 9.006 -8.686 13.667 1.00 0.00 C ATOM 1316 O ASP A 87 10.083 -8.892 14.227 1.00 0.00 O ATOM 1317 CB ASP A 87 7.568 -6.867 12.720 1.00 0.00 C ATOM 1318 CG ASP A 87 7.594 -5.532 12.004 1.00 0.00 C ATOM 1319 OD1 ASP A 87 8.570 -4.775 12.194 1.00 0.00 O ATOM 1320 OD2 ASP A 87 6.639 -5.242 11.253 1.00 0.00 O ATOM 0 H ASP A 87 8.135 -8.797 10.991 1.00 0.00 H new ATOM 0 HA ASP A 87 9.714 -6.936 12.667 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.750 -7.471 12.327 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.364 -6.705 13.778 1.00 0.00 H new ATOM 1325 N GLY A 88 7.897 -9.353 13.960 1.00 0.00 N ATOM 1326 CA GLY A 88 7.896 -10.392 14.972 1.00 0.00 C ATOM 1327 C GLY A 88 7.042 -11.576 14.563 1.00 0.00 C ATOM 1328 O GLY A 88 7.519 -12.478 13.873 1.00 0.00 O ATOM 0 H GLY A 88 6.994 -9.192 13.513 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.918 -10.726 15.151 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.525 -9.984 15.912 1.00 0.00 H new ATOM 1332 N PRO A 89 5.757 -11.589 14.953 1.00 0.00 N ATOM 1333 CA PRO A 89 4.836 -12.663 14.602 1.00 0.00 C ATOM 1334 C PRO A 89 4.196 -12.444 13.235 1.00 0.00 C ATOM 1335 O PRO A 89 3.332 -13.212 12.814 1.00 0.00 O ATOM 1336 CB PRO A 89 3.788 -12.575 15.705 1.00 0.00 C ATOM 1337 CG PRO A 89 3.727 -11.124 16.049 1.00 0.00 C ATOM 1338 CD PRO A 89 5.097 -10.552 15.771 1.00 0.00 C ATOM 0 HA PRO A 89 5.328 -13.633 14.531 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.820 -12.943 15.363 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.070 -13.176 16.569 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.968 -10.617 15.453 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.455 -10.986 17.096 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.033 -9.604 15.238 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.645 -10.362 16.694 1.00 0.00 H new ATOM 1346 N THR A 90 4.618 -11.379 12.552 1.00 0.00 N ATOM 1347 CA THR A 90 4.080 -11.047 11.237 1.00 0.00 C ATOM 1348 C THR A 90 5.196 -10.646 10.279 1.00 0.00 C ATOM 1349 O THR A 90 6.374 -10.658 10.638 1.00 0.00 O ATOM 1350 CB THR A 90 3.062 -9.910 11.351 1.00 0.00 C ATOM 1351 OG1 THR A 90 3.712 -8.682 11.632 1.00 0.00 O ATOM 1352 CG2 THR A 90 2.022 -10.134 12.428 1.00 0.00 C ATOM 0 H THR A 90 5.331 -10.733 12.890 1.00 0.00 H new ATOM 0 HA THR A 90 3.584 -11.933 10.842 1.00 0.00 H new ATOM 0 HB THR A 90 2.557 -9.882 10.385 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.045 -7.967 11.700 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.334 -9.289 12.451 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.467 -11.047 12.214 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.515 -10.228 13.396 1.00 0.00 H new ATOM 1360 N ILE A 91 4.813 -10.287 9.058 1.00 0.00 N ATOM 1361 CA ILE A 91 5.774 -9.891 8.039 1.00 0.00 C ATOM 1362 C ILE A 91 5.217 -8.763 7.175 1.00 0.00 C ATOM 1363 O ILE A 91 4.005 -8.650 6.995 1.00 0.00 O ATOM 1364 CB ILE A 91 6.149 -11.085 7.143 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.255 -10.689 6.162 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.919 -11.594 6.403 1.00 0.00 C ATOM 1367 CD1 ILE A 91 8.037 -11.865 5.620 1.00 0.00 C ATOM 0 H ILE A 91 3.841 -10.263 8.751 1.00 0.00 H new ATOM 0 HA ILE A 91 6.669 -9.538 8.552 1.00 0.00 H new ATOM 0 HB ILE A 91 6.528 -11.892 7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.811 -10.144 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.943 -10.005 6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.197 -12.439 5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.166 -11.912 7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.512 -10.796 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.803 -11.507 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.511 -12.398 6.444 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.362 -12.539 5.092 1.00 0.00 H new ATOM 1379 N ARG A 92 6.107 -7.926 6.644 1.00 0.00 N ATOM 1380 CA ARG A 92 5.690 -6.801 5.819 1.00 0.00 C ATOM 1381 C ARG A 92 6.627 -6.610 4.625 1.00 0.00 C ATOM 1382 O ARG A 92 7.845 -6.553 4.783 1.00 0.00 O ATOM 1383 CB ARG A 92 5.644 -5.526 6.669 1.00 0.00 C ATOM 1384 CG ARG A 92 5.871 -4.246 5.879 1.00 0.00 C ATOM 1385 CD ARG A 92 6.469 -3.155 6.752 1.00 0.00 C ATOM 1386 NE ARG A 92 5.463 -2.193 7.192 1.00 0.00 N ATOM 1387 CZ ARG A 92 5.267 -1.861 8.466 1.00 0.00 C ATOM 1388 NH1 ARG A 92 6.006 -2.413 9.419 1.00 0.00 N ATOM 1389 NH2 ARG A 92 4.332 -0.977 8.785 1.00 0.00 N ATOM 0 H ARG A 92 7.116 -8.007 6.771 1.00 0.00 H new ATOM 0 HA ARG A 92 4.694 -7.012 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.675 -5.467 7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.399 -5.596 7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.536 -4.448 5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.925 -3.902 5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.943 -3.607 7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.250 -2.635 6.198 1.00 0.00 H new ATOM 0 HE ARG A 92 4.878 -1.751 6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.726 -3.093 9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.854 -2.157 10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.762 -0.551 8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.182 -0.723 9.761 1.00 0.00 H new ATOM 1403 N TYR A 93 6.041 -6.461 3.440 1.00 0.00 N ATOM 1404 CA TYR A 93 6.808 -6.241 2.219 1.00 0.00 C ATOM 1405 C TYR A 93 6.365 -4.946 1.543 1.00 0.00 C ATOM 1406 O TYR A 93 5.178 -4.631 1.515 1.00 0.00 O ATOM 1407 CB TYR A 93 6.633 -7.412 1.248 1.00 0.00 C ATOM 1408 CG TYR A 93 5.885 -8.595 1.824 1.00 0.00 C ATOM 1409 CD1 TYR A 93 6.528 -9.523 2.633 1.00 0.00 C ATOM 1410 CD2 TYR A 93 4.543 -8.798 1.534 1.00 0.00 C ATOM 1411 CE1 TYR A 93 5.849 -10.612 3.147 1.00 0.00 C ATOM 1412 CE2 TYR A 93 3.857 -9.881 2.047 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.514 -10.784 2.854 1.00 0.00 C ATOM 1414 OH TYR A 93 3.834 -11.865 3.367 1.00 0.00 O ATOM 0 H TYR A 93 5.031 -6.489 3.300 1.00 0.00 H new ATOM 0 HA TYR A 93 7.861 -6.165 2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.103 -7.059 0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.617 -7.745 0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.575 -9.392 2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.026 -8.097 0.896 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.363 -11.325 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.811 -10.020 1.817 1.00 0.00 H new ATOM 0 HH TYR A 93 2.963 -11.572 3.708 1.00 0.00 H new ATOM 1424 N LEU A 94 7.324 -4.198 1.007 1.00 0.00 N ATOM 1425 CA LEU A 94 7.018 -2.921 0.362 1.00 0.00 C ATOM 1426 C LEU A 94 7.746 -2.768 -0.969 1.00 0.00 C ATOM 1427 O LEU A 94 8.778 -3.396 -1.204 1.00 0.00 O ATOM 1428 CB LEU A 94 7.395 -1.764 1.287 1.00 0.00 C ATOM 1429 CG LEU A 94 8.655 -1.991 2.125 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.452 -0.702 2.249 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.288 -2.530 3.499 1.00 0.00 C ATOM 0 H LEU A 94 8.313 -4.449 1.005 1.00 0.00 H new ATOM 0 HA LEU A 94 5.946 -2.903 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.535 -0.867 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.560 -1.569 1.960 1.00 0.00 H new ATOM 0 HG LEU A 94 9.278 -2.730 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.345 -0.882 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.744 -0.358 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.839 0.060 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.195 -2.686 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.646 -1.814 4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.760 -3.477 3.389 1.00 0.00 H new ATOM 1443 N ILE A 95 7.200 -1.914 -1.834 1.00 0.00 N ATOM 1444 CA ILE A 95 7.794 -1.652 -3.142 1.00 0.00 C ATOM 1445 C ILE A 95 7.808 -0.152 -3.436 1.00 0.00 C ATOM 1446 O ILE A 95 7.109 0.622 -2.786 1.00 0.00 O ATOM 1447 CB ILE A 95 7.052 -2.411 -4.272 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.026 -1.513 -4.978 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.363 -3.648 -3.714 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.548 -0.866 -6.243 1.00 0.00 C ATOM 0 H ILE A 95 6.344 -1.391 -1.650 1.00 0.00 H new ATOM 0 HA ILE A 95 8.820 -2.018 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 95 7.796 -2.714 -5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.145 -2.106 -5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.704 -0.733 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.846 -4.171 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.107 -4.310 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.642 -3.351 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.767 -0.247 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.411 -0.245 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.843 -1.639 -6.952 1.00 0.00 H new ATOM 1462 N GLN A 96 8.629 0.256 -4.398 1.00 0.00 N ATOM 1463 CA GLN A 96 8.720 1.663 -4.772 1.00 0.00 C ATOM 1464 C GLN A 96 9.198 1.816 -6.215 1.00 0.00 C ATOM 1465 O GLN A 96 9.885 0.944 -6.747 1.00 0.00 O ATOM 1466 CB GLN A 96 9.675 2.398 -3.829 1.00 0.00 C ATOM 1467 CG GLN A 96 11.110 1.906 -3.911 1.00 0.00 C ATOM 1468 CD GLN A 96 11.608 1.339 -2.596 1.00 0.00 C ATOM 1469 OE1 GLN A 96 12.497 1.905 -1.960 1.00 0.00 O ATOM 1470 NE2 GLN A 96 11.036 0.214 -2.181 1.00 0.00 N ATOM 0 H GLN A 96 9.239 -0.364 -4.931 1.00 0.00 H new ATOM 0 HA GLN A 96 7.725 2.100 -4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.651 3.463 -4.059 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.319 2.285 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.184 1.141 -4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.756 2.730 -4.215 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.302 -0.221 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.330 -0.214 -1.303 1.00 0.00 H new ATOM 1479 N LYS A 97 8.858 2.944 -6.834 1.00 0.00 N ATOM 1480 CA LYS A 97 9.278 3.222 -8.204 1.00 0.00 C ATOM 1481 C LYS A 97 10.045 4.540 -8.271 1.00 0.00 C ATOM 1482 O LYS A 97 11.084 4.584 -8.962 1.00 0.00 O ATOM 1483 CB LYS A 97 8.064 3.272 -9.139 1.00 0.00 C ATOM 1484 CG LYS A 97 8.328 3.999 -10.450 1.00 0.00 C ATOM 1485 CD LYS A 97 8.076 3.102 -11.651 1.00 0.00 C ATOM 1486 CE LYS A 97 8.759 3.636 -12.901 1.00 0.00 C ATOM 1487 NZ LYS A 97 10.140 4.120 -12.620 1.00 0.00 N ATOM 1488 OXT LYS A 97 9.600 5.515 -7.629 1.00 0.00 O ATOM 0 H LYS A 97 8.293 3.679 -6.409 1.00 0.00 H new ATOM 0 HA LYS A 97 9.937 2.417 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.743 2.253 -9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.239 3.762 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.689 4.880 -10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.359 4.352 -10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.440 2.097 -11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.003 3.022 -11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.797 2.851 -13.657 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.167 4.451 -13.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.599 4.396 -13.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.097 4.941 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.689 3.361 -12.169 1.00 0.00 H new