USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 690 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 5 TYR OH : rot 75:sc= 0.43 USER MOD Set 1.2: A 34 CYS SG : rot 100:sc= 0.144 USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0999) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0142 (180deg=-0.183) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.212 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 152:sc= 0.542 USER MOD Single : A 31 CYS SG : rot 179:sc= 0.199 USER MOD Single : A 33 HIS : no HE2:sc= 0.394 K(o=0.39,f=-4.8!) USER MOD Single : A 35 GLN : amide:sc= 1.3 K(o=1.3,f=-0.015) USER MOD Single : A 38 GLN : amide:sc= 0.81 K(o=0.81,f=-0.52) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0117 USER MOD Single : A 53 HIS : no HE2:sc= -0.0589 K(o=-0.059,f=-5.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.17) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.13) USER MOD Single : A 75 THR OG1 : rot -140:sc= -0.005 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.153 4.086 10.378 1.00 0.00 N ATOM 2 CA MET A 1 5.909 4.267 9.135 1.00 0.00 C ATOM 3 C MET A 1 7.422 4.381 9.352 1.00 0.00 C ATOM 4 O MET A 1 8.197 4.145 8.426 1.00 0.00 O ATOM 5 CB MET A 1 5.381 5.502 8.386 1.00 0.00 C ATOM 6 CG MET A 1 3.959 5.299 7.845 1.00 0.00 C ATOM 7 SD MET A 1 3.748 3.931 6.668 1.00 0.00 S ATOM 8 CE MET A 1 4.765 4.513 5.289 1.00 0.00 C ATOM 0 H1 MET A 1 4.179 3.798 10.153 1.00 0.00 H new ATOM 0 H2 MET A 1 5.607 3.350 10.956 1.00 0.00 H new ATOM 0 H3 MET A 1 5.136 4.981 10.907 1.00 0.00 H new ATOM 0 HA MET A 1 5.756 3.369 8.537 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.392 6.361 9.056 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.051 5.735 7.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.290 5.133 8.689 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.639 6.222 7.361 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.627 3.854 4.432 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.467 5.526 5.020 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.814 4.509 5.584 1.00 0.00 H new ATOM 16 N LYS A 2 7.855 4.693 10.584 1.00 0.00 N ATOM 17 CA LYS A 2 9.259 4.556 11.016 1.00 0.00 C ATOM 18 C LYS A 2 9.660 3.077 11.214 1.00 0.00 C ATOM 19 O LYS A 2 10.838 2.733 11.094 1.00 0.00 O ATOM 20 CB LYS A 2 9.468 5.383 12.297 1.00 0.00 C ATOM 21 CG LYS A 2 9.289 6.890 12.040 1.00 0.00 C ATOM 22 CD LYS A 2 9.486 7.734 13.317 1.00 0.00 C ATOM 23 CE LYS A 2 10.897 7.672 13.928 1.00 0.00 C ATOM 24 NZ LYS A 2 11.930 8.286 13.051 1.00 0.00 N ATOM 0 H LYS A 2 7.239 5.050 11.314 1.00 0.00 H new ATOM 0 HA LYS A 2 9.912 4.940 10.232 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.760 5.058 13.059 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.467 5.198 12.690 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.002 7.213 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.292 7.071 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.252 8.773 13.087 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.767 7.404 14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.894 8.182 14.891 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.160 6.632 14.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.861 8.217 13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.955 7.784 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.697 9.287 12.889 1.00 0.00 H new ATOM 34 N THR A 3 8.676 2.205 11.474 1.00 0.00 N ATOM 35 CA THR A 3 8.799 0.737 11.557 1.00 0.00 C ATOM 36 C THR A 3 9.017 0.149 10.162 1.00 0.00 C ATOM 37 O THR A 3 8.426 0.615 9.187 1.00 0.00 O ATOM 38 CB THR A 3 7.545 0.146 12.219 1.00 0.00 C ATOM 39 OG1 THR A 3 7.351 0.812 13.449 1.00 0.00 O ATOM 40 CG2 THR A 3 7.683 -1.349 12.506 1.00 0.00 C ATOM 0 H THR A 3 7.720 2.518 11.642 1.00 0.00 H new ATOM 0 HA THR A 3 9.663 0.479 12.170 1.00 0.00 H new ATOM 0 HB THR A 3 6.707 0.279 11.535 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.554 0.454 13.893 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.769 -1.716 12.974 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.853 -1.885 11.572 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.526 -1.514 13.177 1.00 0.00 H new ATOM 48 N ARG A 4 9.874 -0.877 10.078 1.00 0.00 N ATOM 49 CA ARG A 4 10.309 -1.515 8.828 1.00 0.00 C ATOM 50 C ARG A 4 9.183 -2.287 8.109 1.00 0.00 C ATOM 51 O ARG A 4 8.128 -2.584 8.675 1.00 0.00 O ATOM 52 CB ARG A 4 11.489 -2.463 9.116 1.00 0.00 C ATOM 53 CG ARG A 4 12.707 -1.742 9.721 1.00 0.00 C ATOM 54 CD ARG A 4 13.871 -2.695 10.004 1.00 0.00 C ATOM 55 NE ARG A 4 13.539 -3.637 11.087 1.00 0.00 N ATOM 56 CZ ARG A 4 14.240 -4.709 11.445 1.00 0.00 C ATOM 57 NH1 ARG A 4 15.372 -5.037 10.854 1.00 0.00 N ATOM 58 NH2 ARG A 4 13.801 -5.471 12.423 1.00 0.00 N ATOM 0 H ARG A 4 10.297 -1.299 10.904 1.00 0.00 H new ATOM 0 HA ARG A 4 10.615 -0.714 8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.160 -3.245 9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.788 -2.954 8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.039 -0.961 9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.411 -1.250 10.648 1.00 0.00 H new ATOM 0 HD2 ARG A 4 14.118 -3.250 9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.756 -2.121 10.277 1.00 0.00 H new ATOM 0 HE ARG A 4 12.687 -3.448 11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 4 15.737 -4.461 10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.883 -5.867 11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.930 -5.238 12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.332 -6.295 12.705 1.00 0.00 H new ATOM 69 N TYR A 5 9.445 -2.676 6.858 1.00 0.00 N ATOM 70 CA TYR A 5 8.672 -3.676 6.106 1.00 0.00 C ATOM 71 C TYR A 5 8.641 -5.065 6.798 1.00 0.00 C ATOM 72 O TYR A 5 9.482 -5.360 7.649 1.00 0.00 O ATOM 73 CB TYR A 5 9.286 -3.803 4.704 1.00 0.00 C ATOM 74 CG TYR A 5 8.672 -2.905 3.648 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.855 -1.510 3.684 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.879 -3.483 2.639 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.280 -0.701 2.681 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.307 -2.684 1.639 1.00 0.00 C ATOM 79 CZ TYR A 5 7.550 -1.295 1.628 1.00 0.00 C ATOM 80 OH TYR A 5 7.086 -0.531 0.605 1.00 0.00 O ATOM 0 H TYR A 5 10.224 -2.294 6.322 1.00 0.00 H new ATOM 0 HA TYR A 5 7.638 -3.336 6.055 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.352 -3.584 4.770 1.00 0.00 H new ATOM 0 HB3 TYR A 5 9.193 -4.838 4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.434 -1.060 4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.710 -4.550 2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.398 0.372 2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.682 -3.131 0.880 1.00 0.00 H new ATOM 0 HH TYR A 5 7.830 -0.287 0.016 1.00 0.00 H new ATOM 89 N SER A 6 7.705 -5.937 6.404 1.00 0.00 N ATOM 90 CA SER A 6 7.583 -7.293 6.966 1.00 0.00 C ATOM 91 C SER A 6 7.302 -8.401 5.938 1.00 0.00 C ATOM 92 O SER A 6 6.474 -8.247 5.038 1.00 0.00 O ATOM 93 CB SER A 6 6.449 -7.305 7.990 1.00 0.00 C ATOM 94 OG SER A 6 6.417 -8.547 8.683 1.00 0.00 O ATOM 0 H SER A 6 7.010 -5.725 5.688 1.00 0.00 H new ATOM 0 HA SER A 6 8.556 -7.515 7.405 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.584 -6.489 8.700 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.496 -7.137 7.488 1.00 0.00 H new ATOM 0 HG SER A 6 5.687 -8.538 9.336 1.00 0.00 H new ATOM 99 N ALA A 7 7.944 -9.558 6.116 1.00 0.00 N ATOM 100 CA ALA A 7 7.682 -10.790 5.366 1.00 0.00 C ATOM 101 C ALA A 7 6.485 -11.597 5.918 1.00 0.00 C ATOM 102 O ALA A 7 6.035 -12.548 5.277 1.00 0.00 O ATOM 103 CB ALA A 7 8.967 -11.627 5.389 1.00 0.00 C ATOM 0 H ALA A 7 8.685 -9.667 6.809 1.00 0.00 H new ATOM 0 HA ALA A 7 7.403 -10.527 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.807 -12.554 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.776 -11.064 4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.232 -11.859 6.421 1.00 0.00 H new ATOM 109 N GLU A 8 5.945 -11.218 7.080 1.00 0.00 N ATOM 110 CA GLU A 8 4.917 -11.969 7.824 1.00 0.00 C ATOM 111 C GLU A 8 3.482 -11.660 7.350 1.00 0.00 C ATOM 112 O GLU A 8 2.505 -11.898 8.066 1.00 0.00 O ATOM 113 CB GLU A 8 5.077 -11.725 9.336 1.00 0.00 C ATOM 114 CG GLU A 8 6.474 -12.059 9.878 1.00 0.00 C ATOM 115 CD GLU A 8 6.815 -13.548 9.717 1.00 0.00 C ATOM 116 OE1 GLU A 8 6.226 -14.394 10.434 1.00 0.00 O ATOM 117 OE2 GLU A 8 7.690 -13.891 8.887 1.00 0.00 O ATOM 0 H GLU A 8 6.217 -10.353 7.548 1.00 0.00 H new ATOM 0 HA GLU A 8 5.075 -13.027 7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.856 -10.679 9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.339 -12.323 9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.218 -11.458 9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.528 -11.787 10.932 1.00 0.00 H new ATOM 122 N ALA A 9 3.346 -11.113 6.139 1.00 0.00 N ATOM 123 CA ALA A 9 2.065 -10.786 5.515 1.00 0.00 C ATOM 124 C ALA A 9 1.211 -12.035 5.184 1.00 0.00 C ATOM 125 O ALA A 9 1.762 -13.122 4.960 1.00 0.00 O ATOM 126 CB ALA A 9 2.317 -9.948 4.252 1.00 0.00 C ATOM 0 H ALA A 9 4.146 -10.880 5.551 1.00 0.00 H new ATOM 0 HA ALA A 9 1.485 -10.211 6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.365 -9.702 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.837 -9.029 4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.929 -10.518 3.553 1.00 0.00 H new ATOM 132 N PRO A 10 -0.126 -11.879 5.112 1.00 0.00 N ATOM 133 CA PRO A 10 -1.063 -12.925 4.694 1.00 0.00 C ATOM 134 C PRO A 10 -0.988 -13.226 3.191 1.00 0.00 C ATOM 135 O PRO A 10 -0.464 -12.435 2.401 1.00 0.00 O ATOM 136 CB PRO A 10 -2.446 -12.376 5.057 1.00 0.00 C ATOM 137 CG PRO A 10 -2.262 -10.873 4.889 1.00 0.00 C ATOM 138 CD PRO A 10 -0.854 -10.658 5.421 1.00 0.00 C ATOM 0 HA PRO A 10 -0.832 -13.869 5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.222 -12.765 4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.731 -12.638 6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.355 -10.566 3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.002 -10.307 5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.386 -9.793 4.951 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.866 -10.470 6.495 1.00 0.00 H new ATOM 143 N ALA A 11 -1.586 -14.354 2.789 1.00 0.00 N ATOM 144 CA ALA A 11 -1.937 -14.619 1.391 1.00 0.00 C ATOM 145 C ALA A 11 -3.204 -13.832 1.001 1.00 0.00 C ATOM 146 O ALA A 11 -4.044 -13.551 1.859 1.00 0.00 O ATOM 147 CB ALA A 11 -2.126 -16.132 1.216 1.00 0.00 C ATOM 0 H ALA A 11 -1.840 -15.109 3.426 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.139 -14.286 0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.388 -16.349 0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.199 -16.646 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.925 -16.477 1.872 1.00 0.00 H new ATOM 153 N ARG A 12 -3.390 -13.522 -0.288 1.00 0.00 N ATOM 154 CA ARG A 12 -4.498 -12.661 -0.736 1.00 0.00 C ATOM 155 C ARG A 12 -5.880 -13.248 -0.397 1.00 0.00 C ATOM 156 O ARG A 12 -6.785 -12.528 0.018 1.00 0.00 O ATOM 157 CB ARG A 12 -4.383 -12.375 -2.243 1.00 0.00 C ATOM 158 CG ARG A 12 -5.262 -11.161 -2.587 1.00 0.00 C ATOM 159 CD ARG A 12 -4.978 -10.598 -3.983 1.00 0.00 C ATOM 160 NE ARG A 12 -5.581 -11.369 -5.083 1.00 0.00 N ATOM 161 CZ ARG A 12 -6.864 -11.436 -5.415 1.00 0.00 C ATOM 162 NH1 ARG A 12 -7.820 -10.880 -4.700 1.00 0.00 N ATOM 163 NH2 ARG A 12 -7.208 -12.083 -6.508 1.00 0.00 N ATOM 0 H ARG A 12 -2.788 -13.854 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.413 -11.723 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.345 -12.177 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.700 -13.245 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.311 -11.448 -2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.100 -10.379 -1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.345 -9.573 -4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.899 -10.557 -4.133 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.938 -11.915 -5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.588 -10.369 -3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.792 -10.960 -4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.493 -12.524 -7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.190 -12.144 -6.777 1.00 0.00 H new ATOM 174 N ASP A 13 -6.019 -14.566 -0.510 1.00 0.00 N ATOM 175 CA ASP A 13 -7.226 -15.330 -0.144 1.00 0.00 C ATOM 176 C ASP A 13 -7.533 -15.346 1.370 1.00 0.00 C ATOM 177 O ASP A 13 -8.673 -15.615 1.751 1.00 0.00 O ATOM 178 CB ASP A 13 -7.063 -16.777 -0.638 1.00 0.00 C ATOM 179 CG ASP A 13 -6.960 -16.864 -2.166 1.00 0.00 C ATOM 180 OD1 ASP A 13 -8.013 -16.933 -2.842 1.00 0.00 O ATOM 181 OD2 ASP A 13 -5.817 -16.852 -2.685 1.00 0.00 O ATOM 0 H ASP A 13 -5.272 -15.160 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.068 -14.827 -0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.169 -17.212 -0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.911 -17.372 -0.299 1.00 0.00 H new ATOM 185 N GLU A 14 -6.549 -15.064 2.229 1.00 0.00 N ATOM 186 CA GLU A 14 -6.730 -14.895 3.676 1.00 0.00 C ATOM 187 C GLU A 14 -7.000 -13.423 4.029 1.00 0.00 C ATOM 188 O GLU A 14 -7.846 -13.121 4.874 1.00 0.00 O ATOM 189 CB GLU A 14 -5.486 -15.443 4.399 1.00 0.00 C ATOM 190 CG GLU A 14 -5.593 -15.381 5.927 1.00 0.00 C ATOM 191 CD GLU A 14 -4.421 -16.132 6.579 1.00 0.00 C ATOM 192 OE1 GLU A 14 -3.290 -15.586 6.606 1.00 0.00 O ATOM 193 OE2 GLU A 14 -4.622 -17.261 7.085 1.00 0.00 O ATOM 0 H GLU A 14 -5.581 -14.944 1.931 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.603 -15.457 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.325 -16.477 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.611 -14.877 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.595 -14.342 6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.538 -15.819 6.249 1.00 0.00 H new ATOM 198 N LEU A 15 -6.329 -12.494 3.338 1.00 0.00 N ATOM 199 CA LEU A 15 -6.546 -11.050 3.412 1.00 0.00 C ATOM 200 C LEU A 15 -7.943 -10.647 2.908 1.00 0.00 C ATOM 201 O LEU A 15 -8.534 -9.715 3.440 1.00 0.00 O ATOM 202 CB LEU A 15 -5.386 -10.410 2.621 1.00 0.00 C ATOM 203 CG LEU A 15 -5.407 -8.872 2.565 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.988 -8.290 2.668 1.00 0.00 C ATOM 205 CD2 LEU A 15 -6.050 -8.386 1.257 1.00 0.00 C ATOM 0 H LEU A 15 -5.587 -12.743 2.683 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.537 -10.691 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.443 -10.729 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.405 -10.796 1.602 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.996 -8.526 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.037 -7.202 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.537 -8.596 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.383 -8.659 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.055 -7.296 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.478 -8.762 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.074 -8.755 1.196 1.00 0.00 H new ATOM 216 N ASP A 16 -8.519 -11.388 1.958 1.00 0.00 N ATOM 217 CA ASP A 16 -9.897 -11.263 1.463 1.00 0.00 C ATOM 218 C ASP A 16 -10.957 -11.318 2.585 1.00 0.00 C ATOM 219 O ASP A 16 -12.046 -10.758 2.443 1.00 0.00 O ATOM 220 CB ASP A 16 -10.123 -12.395 0.447 1.00 0.00 C ATOM 221 CG ASP A 16 -11.591 -12.559 0.024 1.00 0.00 C ATOM 222 OD1 ASP A 16 -12.012 -11.917 -0.966 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.296 -13.381 0.660 1.00 0.00 O ATOM 0 H ASP A 16 -8.009 -12.134 1.485 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.017 -10.282 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.518 -12.203 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.771 -13.333 0.876 1.00 0.00 H new ATOM 227 N ARG A 17 -10.626 -11.961 3.710 1.00 0.00 N ATOM 228 CA ARG A 17 -11.506 -12.095 4.869 1.00 0.00 C ATOM 229 C ARG A 17 -11.542 -10.829 5.750 1.00 0.00 C ATOM 230 O ARG A 17 -12.390 -10.750 6.647 1.00 0.00 O ATOM 231 CB ARG A 17 -11.077 -13.302 5.708 1.00 0.00 C ATOM 232 CG ARG A 17 -10.950 -14.627 4.933 1.00 0.00 C ATOM 233 CD ARG A 17 -12.204 -15.024 4.146 1.00 0.00 C ATOM 234 NE ARG A 17 -12.111 -16.421 3.688 1.00 0.00 N ATOM 235 CZ ARG A 17 -12.027 -16.873 2.437 1.00 0.00 C ATOM 236 NH1 ARG A 17 -12.045 -16.089 1.385 1.00 0.00 N ATOM 237 NH2 ARG A 17 -11.915 -18.170 2.234 1.00 0.00 N ATOM 0 H ARG A 17 -9.720 -12.411 3.840 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.516 -12.241 4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.117 -13.078 6.173 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.798 -13.439 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.111 -14.550 4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.710 -15.424 5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.087 -14.900 4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.326 -14.362 3.288 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.111 -17.131 4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.127 -15.079 1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.977 -16.489 0.449 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.894 -18.810 3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.850 -18.534 1.283 1.00 0.00 H new ATOM 248 N LEU A 18 -10.639 -9.857 5.538 1.00 0.00 N ATOM 249 CA LEU A 18 -10.609 -8.611 6.341 1.00 0.00 C ATOM 250 C LEU A 18 -11.866 -7.742 6.168 1.00 0.00 C ATOM 251 O LEU A 18 -12.652 -7.924 5.239 1.00 0.00 O ATOM 252 CB LEU A 18 -9.282 -7.818 6.172 1.00 0.00 C ATOM 253 CG LEU A 18 -9.060 -6.888 4.943 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.934 -5.623 4.855 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.612 -6.375 4.975 1.00 0.00 C ATOM 0 H LEU A 18 -9.918 -9.905 4.818 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.630 -8.931 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.160 -7.204 7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.471 -8.547 6.173 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.322 -7.518 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.678 -5.066 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.985 -5.909 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.758 -4.998 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.439 -5.721 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.443 -5.819 5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.925 -7.220 4.930 1.00 0.00 H new ATOM 266 N ALA A 19 -11.999 -6.747 7.044 1.00 0.00 N ATOM 267 CA ALA A 19 -12.961 -5.658 6.902 1.00 0.00 C ATOM 268 C ALA A 19 -12.395 -4.335 7.461 1.00 0.00 C ATOM 269 O ALA A 19 -11.676 -4.321 8.464 1.00 0.00 O ATOM 270 CB ALA A 19 -14.267 -6.065 7.582 1.00 0.00 C ATOM 0 H ALA A 19 -11.430 -6.675 7.887 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.160 -5.477 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.995 -5.260 7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.657 -6.967 7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.082 -6.259 8.638 1.00 0.00 H new ATOM 276 N GLY A 20 -12.732 -3.230 6.788 1.00 0.00 N ATOM 277 CA GLY A 20 -12.246 -1.862 7.054 1.00 0.00 C ATOM 278 C GLY A 20 -11.229 -1.392 5.999 1.00 0.00 C ATOM 279 O GLY A 20 -10.687 -2.233 5.272 1.00 0.00 O ATOM 0 H GLY A 20 -13.383 -3.261 6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.092 -1.175 7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.785 -1.827 8.041 1.00 0.00 H new ATOM 283 N PRO A 21 -10.973 -0.072 5.883 1.00 0.00 N ATOM 284 CA PRO A 21 -10.066 0.475 4.877 1.00 0.00 C ATOM 285 C PRO A 21 -8.611 0.154 5.230 1.00 0.00 C ATOM 286 O PRO A 21 -8.125 0.508 6.303 1.00 0.00 O ATOM 287 CB PRO A 21 -10.353 1.980 4.839 1.00 0.00 C ATOM 288 CG PRO A 21 -10.845 2.278 6.257 1.00 0.00 C ATOM 289 CD PRO A 21 -11.575 1.000 6.667 1.00 0.00 C ATOM 0 HA PRO A 21 -10.223 0.037 3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.460 2.554 4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.106 2.228 4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.016 2.498 6.930 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.510 3.142 6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.465 0.812 7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.643 1.079 6.466 1.00 0.00 H new ATOM 294 N THR A 22 -7.923 -0.526 4.308 1.00 0.00 N ATOM 295 CA THR A 22 -6.540 -1.002 4.484 1.00 0.00 C ATOM 296 C THR A 22 -5.784 -0.840 3.178 1.00 0.00 C ATOM 297 O THR A 22 -6.214 -1.340 2.143 1.00 0.00 O ATOM 298 CB THR A 22 -6.510 -2.478 4.918 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.198 -2.609 6.142 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.085 -2.999 5.147 1.00 0.00 C ATOM 0 H THR A 22 -8.316 -0.768 3.399 1.00 0.00 H new ATOM 0 HA THR A 22 -6.068 -0.408 5.267 1.00 0.00 H new ATOM 0 HB THR A 22 -6.970 -3.053 4.115 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.185 -3.547 6.426 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.125 -4.045 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.513 -2.911 4.224 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.604 -2.412 5.929 1.00 0.00 H new ATOM 308 N LEU A 23 -4.627 -0.185 3.217 1.00 0.00 N ATOM 309 CA LEU A 23 -3.713 -0.099 2.084 1.00 0.00 C ATOM 310 C LEU A 23 -2.653 -1.197 2.187 1.00 0.00 C ATOM 311 O LEU A 23 -2.032 -1.366 3.234 1.00 0.00 O ATOM 312 CB LEU A 23 -3.117 1.315 2.082 1.00 0.00 C ATOM 313 CG LEU A 23 -2.222 1.650 0.879 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.953 1.391 -0.431 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.737 3.084 0.953 1.00 0.00 C ATOM 0 H LEU A 23 -4.295 0.307 4.047 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.225 -0.262 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.934 2.036 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.535 1.447 2.994 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.351 0.996 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.298 1.636 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.237 0.340 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.848 2.011 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.105 3.299 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.593 3.758 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.163 3.227 1.869 1.00 0.00 H new ATOM 326 N VAL A 24 -2.432 -1.938 1.103 1.00 0.00 N ATOM 327 CA VAL A 24 -1.433 -3.021 1.021 1.00 0.00 C ATOM 328 C VAL A 24 -0.312 -2.598 0.071 1.00 0.00 C ATOM 329 O VAL A 24 -0.564 -2.440 -1.123 1.00 0.00 O ATOM 330 CB VAL A 24 -2.084 -4.343 0.544 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.065 -5.498 0.541 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.276 -4.745 1.433 1.00 0.00 C ATOM 0 H VAL A 24 -2.950 -1.806 0.234 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.019 -3.199 2.014 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.438 -4.162 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.552 -6.412 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.241 -5.255 -0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.679 -5.646 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.706 -5.677 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.935 -4.882 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.032 -3.961 1.404 1.00 0.00 H new ATOM 342 N GLU A 25 0.890 -2.403 0.612 1.00 0.00 N ATOM 343 CA GLU A 25 2.061 -1.853 -0.075 1.00 0.00 C ATOM 344 C GLU A 25 3.144 -2.918 -0.292 1.00 0.00 C ATOM 345 O GLU A 25 3.579 -3.574 0.659 1.00 0.00 O ATOM 346 CB GLU A 25 2.606 -0.682 0.757 1.00 0.00 C ATOM 347 CG GLU A 25 3.805 0.035 0.132 1.00 0.00 C ATOM 348 CD GLU A 25 4.436 1.101 1.046 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.752 0.807 2.222 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.680 2.229 0.566 1.00 0.00 O ATOM 0 H GLU A 25 1.084 -2.634 1.586 1.00 0.00 H new ATOM 0 HA GLU A 25 1.764 -1.503 -1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.806 0.042 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.893 -1.054 1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.564 -0.704 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.490 0.508 -0.798 1.00 0.00 H new ATOM 355 N PHE A 26 3.606 -3.054 -1.540 1.00 0.00 N ATOM 356 CA PHE A 26 4.664 -3.973 -1.949 1.00 0.00 C ATOM 357 C PHE A 26 5.995 -3.231 -2.132 1.00 0.00 C ATOM 358 O PHE A 26 6.044 -2.130 -2.686 1.00 0.00 O ATOM 359 CB PHE A 26 4.272 -4.686 -3.259 1.00 0.00 C ATOM 360 CG PHE A 26 2.851 -5.198 -3.258 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.460 -6.216 -2.365 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.895 -4.596 -4.091 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.104 -6.584 -2.273 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.550 -4.993 -4.018 1.00 0.00 C ATOM 365 CZ PHE A 26 0.148 -5.960 -3.087 1.00 0.00 C ATOM 0 H PHE A 26 3.238 -2.506 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 26 4.792 -4.716 -1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.402 -3.996 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.952 -5.521 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.198 -6.712 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.194 -3.827 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.800 -7.349 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.178 -4.551 -4.682 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.895 -6.224 -2.997 1.00 0.00 H new ATOM 374 N GLY A 27 7.077 -3.865 -1.685 1.00 0.00 N ATOM 375 CA GLY A 27 8.436 -3.321 -1.720 1.00 0.00 C ATOM 376 C GLY A 27 9.344 -3.979 -0.689 1.00 0.00 C ATOM 377 O GLY A 27 9.113 -5.125 -0.296 1.00 0.00 O ATOM 0 H GLY A 27 7.033 -4.799 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.857 -3.462 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.401 -2.247 -1.538 1.00 0.00 H new ATOM 381 N THR A 28 10.364 -3.253 -0.242 1.00 0.00 N ATOM 382 CA THR A 28 11.260 -3.617 0.874 1.00 0.00 C ATOM 383 C THR A 28 11.617 -2.361 1.662 1.00 0.00 C ATOM 384 O THR A 28 11.208 -1.258 1.312 1.00 0.00 O ATOM 385 CB THR A 28 12.527 -4.325 0.380 1.00 0.00 C ATOM 386 OG1 THR A 28 13.206 -3.487 -0.526 1.00 0.00 O ATOM 387 CG2 THR A 28 12.216 -5.676 -0.271 1.00 0.00 C ATOM 0 H THR A 28 10.607 -2.355 -0.659 1.00 0.00 H new ATOM 0 HA THR A 28 10.736 -4.319 1.522 1.00 0.00 H new ATOM 0 HB THR A 28 13.161 -4.527 1.244 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.164 -3.693 -0.507 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.143 -6.141 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.726 -6.325 0.455 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.557 -5.525 -1.126 1.00 0.00 H new ATOM 395 N ASP A 29 12.400 -2.484 2.733 1.00 0.00 N ATOM 396 CA ASP A 29 12.865 -1.322 3.500 1.00 0.00 C ATOM 397 C ASP A 29 14.139 -0.688 2.895 1.00 0.00 C ATOM 398 O ASP A 29 14.609 0.340 3.387 1.00 0.00 O ATOM 399 CB ASP A 29 13.045 -1.745 4.965 1.00 0.00 C ATOM 400 CG ASP A 29 13.256 -0.539 5.894 1.00 0.00 C ATOM 401 OD1 ASP A 29 12.337 0.310 5.960 1.00 0.00 O ATOM 402 OD2 ASP A 29 14.307 -0.482 6.578 1.00 0.00 O ATOM 0 H ASP A 29 12.729 -3.380 3.093 1.00 0.00 H new ATOM 0 HA ASP A 29 12.115 -0.533 3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.168 -2.304 5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.899 -2.418 5.045 1.00 0.00 H new ATOM 406 N TRP A 30 14.690 -1.283 1.828 1.00 0.00 N ATOM 407 CA TRP A 30 16.038 -1.002 1.317 1.00 0.00 C ATOM 408 C TRP A 30 16.127 -0.611 -0.173 1.00 0.00 C ATOM 409 O TRP A 30 17.167 -0.095 -0.584 1.00 0.00 O ATOM 410 CB TRP A 30 16.927 -2.210 1.654 1.00 0.00 C ATOM 411 CG TRP A 30 16.442 -3.566 1.241 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.917 -4.502 2.063 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.470 -4.176 -0.088 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.614 -5.638 1.343 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.916 -5.486 0.004 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.913 -3.748 -1.358 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.769 -6.312 -1.119 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.770 -4.565 -2.490 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.191 -5.844 -2.376 1.00 0.00 C ATOM 0 H TRP A 30 14.198 -1.991 1.283 1.00 0.00 H new ATOM 0 HA TRP A 30 16.390 -0.098 1.815 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.902 -2.048 1.195 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.081 -2.223 2.733 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.759 -4.378 3.124 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.216 -6.485 1.749 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.370 -2.775 -1.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.337 -7.297 -1.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.106 -4.211 -3.454 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.071 -6.464 -3.252 1.00 0.00 H new ATOM 429 N CYS A 31 15.074 -0.791 -0.986 1.00 0.00 N ATOM 430 CA CYS A 31 15.061 -0.316 -2.380 1.00 0.00 C ATOM 431 C CYS A 31 14.999 1.222 -2.446 1.00 0.00 C ATOM 432 O CYS A 31 14.293 1.857 -1.653 1.00 0.00 O ATOM 433 CB CYS A 31 13.895 -0.946 -3.151 1.00 0.00 C ATOM 434 SG CYS A 31 13.937 -0.404 -4.892 1.00 0.00 S ATOM 0 H CYS A 31 14.217 -1.264 -0.701 1.00 0.00 H new ATOM 0 HA CYS A 31 15.993 -0.628 -2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.958 -2.033 -3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.948 -0.658 -2.694 1.00 0.00 H new ATOM 0 HG CYS A 31 12.965 -0.968 -5.546 1.00 0.00 H new ATOM 439 N GLY A 32 15.692 1.821 -3.428 1.00 0.00 N ATOM 440 CA GLY A 32 15.686 3.264 -3.705 1.00 0.00 C ATOM 441 C GLY A 32 14.333 3.801 -4.178 1.00 0.00 C ATOM 442 O GLY A 32 14.054 4.982 -3.973 1.00 0.00 O ATOM 0 H GLY A 32 16.289 1.298 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.982 3.798 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.437 3.481 -4.464 1.00 0.00 H new ATOM 446 N HIS A 33 13.461 2.956 -4.741 1.00 0.00 N ATOM 447 CA HIS A 33 12.054 3.318 -4.952 1.00 0.00 C ATOM 448 C HIS A 33 11.332 3.504 -3.607 1.00 0.00 C ATOM 449 O HIS A 33 10.657 4.512 -3.372 1.00 0.00 O ATOM 450 CB HIS A 33 11.337 2.221 -5.757 1.00 0.00 C ATOM 451 CG HIS A 33 11.553 2.213 -7.248 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.534 1.087 -8.042 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.496 3.293 -8.090 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.439 1.477 -9.323 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.426 2.822 -9.407 1.00 0.00 N ATOM 0 H HIS A 33 13.705 2.018 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 33 12.029 4.257 -5.506 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.650 1.254 -5.364 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.267 2.309 -5.571 1.00 0.00 H new ATOM 0 HD1 HIS A 33 11.584 0.123 -7.713 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.504 4.330 -7.789 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.381 0.807 -10.168 1.00 0.00 H new ATOM 463 N CYS A 34 11.502 2.547 -2.691 1.00 0.00 N ATOM 464 CA CYS A 34 10.896 2.586 -1.365 1.00 0.00 C ATOM 465 C CYS A 34 11.353 3.784 -0.537 1.00 0.00 C ATOM 466 O CYS A 34 10.534 4.371 0.162 1.00 0.00 O ATOM 467 CB CYS A 34 11.207 1.282 -0.633 1.00 0.00 C ATOM 468 SG CYS A 34 9.970 0.063 -1.150 1.00 0.00 S ATOM 0 H CYS A 34 12.071 1.716 -2.855 1.00 0.00 H new ATOM 0 HA CYS A 34 9.820 2.698 -1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.212 0.936 -0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.173 1.430 0.446 1.00 0.00 H new ATOM 0 HG CYS A 34 10.480 -0.714 -2.059 1.00 0.00 H new ATOM 473 N GLN A 35 12.618 4.187 -0.637 1.00 0.00 N ATOM 474 CA GLN A 35 13.131 5.319 0.142 1.00 0.00 C ATOM 475 C GLN A 35 12.419 6.638 -0.201 1.00 0.00 C ATOM 476 O GLN A 35 12.356 7.544 0.622 1.00 0.00 O ATOM 477 CB GLN A 35 14.638 5.523 -0.086 1.00 0.00 C ATOM 478 CG GLN A 35 15.522 4.298 0.159 1.00 0.00 C ATOM 479 CD GLN A 35 15.205 3.501 1.417 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.409 3.939 2.539 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.699 2.297 1.263 1.00 0.00 N ATOM 0 H GLN A 35 13.308 3.749 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 35 12.938 5.066 1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.789 5.856 -1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.979 6.329 0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.439 3.634 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.560 4.625 0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.529 1.931 0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.477 1.729 2.080 1.00 0.00 H new ATOM 488 N ALA A 36 11.864 6.723 -1.414 1.00 0.00 N ATOM 489 CA ALA A 36 11.089 7.856 -1.912 1.00 0.00 C ATOM 490 C ALA A 36 9.589 7.729 -1.607 1.00 0.00 C ATOM 491 O ALA A 36 8.950 8.731 -1.278 1.00 0.00 O ATOM 492 CB ALA A 36 11.334 7.960 -3.423 1.00 0.00 C ATOM 0 H ALA A 36 11.948 5.973 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 36 11.417 8.762 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.767 8.799 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.396 8.116 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.012 7.038 -3.908 1.00 0.00 H new ATOM 498 N ALA A 37 9.017 6.517 -1.686 1.00 0.00 N ATOM 499 CA ALA A 37 7.597 6.278 -1.433 1.00 0.00 C ATOM 500 C ALA A 37 7.249 6.185 0.064 1.00 0.00 C ATOM 501 O ALA A 37 6.173 6.617 0.469 1.00 0.00 O ATOM 502 CB ALA A 37 7.158 5.023 -2.189 1.00 0.00 C ATOM 0 H ALA A 37 9.535 5.673 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 37 7.045 7.143 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.100 4.839 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.321 5.166 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.740 4.168 -1.845 1.00 0.00 H new ATOM 508 N GLN A 38 8.163 5.690 0.904 1.00 0.00 N ATOM 509 CA GLN A 38 7.967 5.608 2.358 1.00 0.00 C ATOM 510 C GLN A 38 7.553 6.950 2.995 1.00 0.00 C ATOM 511 O GLN A 38 6.488 6.990 3.615 1.00 0.00 O ATOM 512 CB GLN A 38 9.227 5.057 3.046 1.00 0.00 C ATOM 513 CG GLN A 38 9.316 3.521 3.081 1.00 0.00 C ATOM 514 CD GLN A 38 10.510 3.010 3.904 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.350 3.760 4.391 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.613 1.714 4.114 1.00 0.00 N ATOM 0 H GLN A 38 9.066 5.332 0.594 1.00 0.00 H new ATOM 0 HA GLN A 38 7.137 4.919 2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.106 5.447 2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.261 5.434 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.394 3.118 3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.395 3.143 2.062 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.923 1.077 3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.383 1.348 4.674 1.00 0.00 H new ATOM 523 N PRO A 39 8.317 8.060 2.844 1.00 0.00 N ATOM 524 CA PRO A 39 7.926 9.360 3.387 1.00 0.00 C ATOM 525 C PRO A 39 6.712 9.953 2.664 1.00 0.00 C ATOM 526 O PRO A 39 6.008 10.777 3.248 1.00 0.00 O ATOM 527 CB PRO A 39 9.161 10.253 3.253 1.00 0.00 C ATOM 528 CG PRO A 39 9.888 9.670 2.047 1.00 0.00 C ATOM 529 CD PRO A 39 9.615 8.175 2.183 1.00 0.00 C ATOM 0 HA PRO A 39 7.611 9.269 4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.887 11.296 3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.780 10.221 4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.501 10.069 1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.955 9.891 2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.600 7.691 1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.395 7.688 2.768 1.00 0.00 H new ATOM 534 N LEU A 40 6.430 9.515 1.428 1.00 0.00 N ATOM 535 CA LEU A 40 5.264 9.940 0.648 1.00 0.00 C ATOM 536 C LEU A 40 3.986 9.466 1.345 1.00 0.00 C ATOM 537 O LEU A 40 3.132 10.271 1.730 1.00 0.00 O ATOM 538 CB LEU A 40 5.382 9.350 -0.780 1.00 0.00 C ATOM 539 CG LEU A 40 4.998 10.244 -1.963 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.746 11.076 -1.703 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.159 11.144 -2.395 1.00 0.00 C ATOM 0 H LEU A 40 7.019 8.843 0.936 1.00 0.00 H new ATOM 0 HA LEU A 40 5.223 11.027 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.414 9.030 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.762 8.455 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 40 4.765 9.563 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.527 11.687 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.904 10.413 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.911 11.723 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.846 11.762 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.452 11.784 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.006 10.527 -2.694 1.00 0.00 H new ATOM 552 N LEU A 41 3.893 8.149 1.574 1.00 0.00 N ATOM 553 CA LEU A 41 2.774 7.514 2.261 1.00 0.00 C ATOM 554 C LEU A 41 2.684 8.058 3.683 1.00 0.00 C ATOM 555 O LEU A 41 1.593 8.417 4.101 1.00 0.00 O ATOM 556 CB LEU A 41 2.936 5.974 2.269 1.00 0.00 C ATOM 557 CG LEU A 41 2.402 5.204 1.036 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.950 5.514 0.711 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.329 5.355 -0.172 1.00 0.00 C ATOM 0 H LEU A 41 4.611 7.487 1.279 1.00 0.00 H new ATOM 0 HA LEU A 41 1.850 7.744 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.996 5.746 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.434 5.585 3.155 1.00 0.00 H new ATOM 0 HG LEU A 41 2.408 4.149 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.642 4.940 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.322 5.246 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.843 6.578 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.920 4.800 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.413 6.409 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.316 4.963 0.075 1.00 0.00 H new ATOM 570 N ALA A 42 3.811 8.201 4.386 1.00 0.00 N ATOM 571 CA ALA A 42 3.835 8.714 5.760 1.00 0.00 C ATOM 572 C ALA A 42 3.259 10.131 5.892 1.00 0.00 C ATOM 573 O ALA A 42 2.559 10.416 6.867 1.00 0.00 O ATOM 574 CB ALA A 42 5.275 8.639 6.278 1.00 0.00 C ATOM 0 H ALA A 42 4.733 7.965 4.019 1.00 0.00 H new ATOM 0 HA ALA A 42 3.182 8.090 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.314 9.017 7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.614 7.603 6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.922 9.244 5.643 1.00 0.00 H new ATOM 580 N GLU A 43 3.495 10.995 4.899 1.00 0.00 N ATOM 581 CA GLU A 43 2.910 12.343 4.848 1.00 0.00 C ATOM 582 C GLU A 43 1.398 12.289 4.561 1.00 0.00 C ATOM 583 O GLU A 43 0.629 13.008 5.192 1.00 0.00 O ATOM 584 CB GLU A 43 3.605 13.192 3.776 1.00 0.00 C ATOM 585 CG GLU A 43 4.998 13.653 4.211 1.00 0.00 C ATOM 586 CD GLU A 43 4.941 14.857 5.168 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.750 15.999 4.688 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.100 14.680 6.398 1.00 0.00 O ATOM 0 H GLU A 43 4.098 10.780 4.105 1.00 0.00 H new ATOM 0 HA GLU A 43 3.060 12.801 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.687 12.614 2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.990 14.064 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.516 12.827 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.582 13.919 3.330 1.00 0.00 H new ATOM 593 N VAL A 44 0.958 11.427 3.639 1.00 0.00 N ATOM 594 CA VAL A 44 -0.462 11.295 3.252 1.00 0.00 C ATOM 595 C VAL A 44 -1.290 10.706 4.398 1.00 0.00 C ATOM 596 O VAL A 44 -2.285 11.303 4.806 1.00 0.00 O ATOM 597 CB VAL A 44 -0.626 10.435 1.982 1.00 0.00 C ATOM 598 CG1 VAL A 44 -2.085 10.260 1.583 1.00 0.00 C ATOM 599 CG2 VAL A 44 0.218 10.941 0.826 1.00 0.00 C ATOM 0 H VAL A 44 1.577 10.794 3.133 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.831 12.297 3.033 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.248 9.445 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.145 9.647 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.627 9.771 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.528 11.236 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.066 10.301 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.076 11.962 0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.270 10.924 1.109 1.00 0.00 H new ATOM 609 N PHE A 45 -0.835 9.580 4.967 1.00 0.00 N ATOM 610 CA PHE A 45 -1.418 8.908 6.136 1.00 0.00 C ATOM 611 C PHE A 45 -1.495 9.821 7.370 1.00 0.00 C ATOM 612 O PHE A 45 -2.246 9.518 8.297 1.00 0.00 O ATOM 613 CB PHE A 45 -0.596 7.647 6.479 1.00 0.00 C ATOM 614 CG PHE A 45 -1.092 6.351 5.872 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.272 5.765 6.370 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.355 5.671 4.875 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.694 4.518 5.885 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.773 4.416 4.421 1.00 0.00 C ATOM 619 CZ PHE A 45 -1.957 3.848 4.905 1.00 0.00 C ATOM 0 H PHE A 45 -0.014 9.092 4.608 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.439 8.635 5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.432 7.808 6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.575 7.534 7.563 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.852 6.275 7.125 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.535 6.123 4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.598 4.071 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.179 3.883 3.693 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.299 2.897 4.523 1.00 0.00 H new ATOM 628 N SER A 46 -0.764 10.943 7.377 1.00 0.00 N ATOM 629 CA SER A 46 -0.847 11.919 8.467 1.00 0.00 C ATOM 630 C SER A 46 -2.251 12.557 8.571 1.00 0.00 C ATOM 631 O SER A 46 -2.683 12.936 9.662 1.00 0.00 O ATOM 632 CB SER A 46 0.230 13.001 8.290 1.00 0.00 C ATOM 633 OG SER A 46 0.476 13.697 9.508 1.00 0.00 O ATOM 0 H SER A 46 -0.108 11.196 6.638 1.00 0.00 H new ATOM 0 HA SER A 46 -0.669 11.387 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.154 12.542 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.086 13.708 7.523 1.00 0.00 H new ATOM 0 HG SER A 46 1.167 14.377 9.362 1.00 0.00 H new ATOM 638 N ASP A 47 -3.001 12.629 7.459 1.00 0.00 N ATOM 639 CA ASP A 47 -4.376 13.154 7.412 1.00 0.00 C ATOM 640 C ASP A 47 -5.456 12.055 7.434 1.00 0.00 C ATOM 641 O ASP A 47 -6.632 12.352 7.649 1.00 0.00 O ATOM 642 CB ASP A 47 -4.512 14.051 6.171 1.00 0.00 C ATOM 643 CG ASP A 47 -5.730 14.990 6.262 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.779 15.812 7.209 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.609 14.948 5.368 1.00 0.00 O ATOM 0 H ASP A 47 -2.662 12.318 6.549 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.548 13.733 8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.606 14.645 6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.602 13.427 5.282 1.00 0.00 H new ATOM 649 N TYR A 48 -5.076 10.783 7.244 1.00 0.00 N ATOM 650 CA TYR A 48 -5.990 9.619 7.185 1.00 0.00 C ATOM 651 C TYR A 48 -5.622 8.472 8.169 1.00 0.00 C ATOM 652 O TYR A 48 -5.609 7.299 7.769 1.00 0.00 O ATOM 653 CB TYR A 48 -6.081 9.120 5.727 1.00 0.00 C ATOM 654 CG TYR A 48 -6.272 10.217 4.693 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.514 10.869 4.550 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.176 10.632 3.918 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.649 11.944 3.648 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.294 11.725 3.042 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.529 12.396 2.910 1.00 0.00 C ATOM 660 OH TYR A 48 -6.610 13.484 2.095 1.00 0.00 O ATOM 0 H TYR A 48 -4.097 10.522 7.123 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.970 9.958 7.520 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.172 8.568 5.488 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.910 8.417 5.649 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.363 10.544 5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.235 10.107 3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.608 12.423 3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.439 12.052 2.469 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.740 13.642 1.673 1.00 0.00 H new ATOM 669 N PRO A 49 -5.368 8.756 9.472 1.00 0.00 N ATOM 670 CA PRO A 49 -4.920 7.747 10.441 1.00 0.00 C ATOM 671 C PRO A 49 -5.935 6.616 10.674 1.00 0.00 C ATOM 672 O PRO A 49 -5.549 5.552 11.150 1.00 0.00 O ATOM 673 CB PRO A 49 -4.631 8.518 11.730 1.00 0.00 C ATOM 674 CG PRO A 49 -5.537 9.737 11.632 1.00 0.00 C ATOM 675 CD PRO A 49 -5.518 10.043 10.137 1.00 0.00 C ATOM 0 HA PRO A 49 -4.039 7.230 10.061 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.857 7.921 12.613 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.581 8.804 11.799 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.544 9.524 11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.159 10.572 12.222 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.438 10.539 9.827 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.695 10.712 9.885 1.00 0.00 H new ATOM 680 N GLU A 50 -7.213 6.804 10.314 1.00 0.00 N ATOM 681 CA GLU A 50 -8.242 5.753 10.348 1.00 0.00 C ATOM 682 C GLU A 50 -8.022 4.618 9.324 1.00 0.00 C ATOM 683 O GLU A 50 -8.623 3.550 9.462 1.00 0.00 O ATOM 684 CB GLU A 50 -9.642 6.388 10.184 1.00 0.00 C ATOM 685 CG GLU A 50 -9.906 7.008 8.800 1.00 0.00 C ATOM 686 CD GLU A 50 -11.285 7.685 8.765 1.00 0.00 C ATOM 687 OE1 GLU A 50 -12.296 6.992 8.503 1.00 0.00 O ATOM 688 OE2 GLU A 50 -11.365 8.911 9.018 1.00 0.00 O ATOM 0 H GLU A 50 -7.566 7.703 9.986 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.164 5.273 11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.397 5.626 10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.768 7.160 10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.130 7.738 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.855 6.235 8.033 1.00 0.00 H new ATOM 693 N VAL A 51 -7.166 4.818 8.313 1.00 0.00 N ATOM 694 CA VAL A 51 -6.769 3.791 7.328 1.00 0.00 C ATOM 695 C VAL A 51 -5.548 3.029 7.871 1.00 0.00 C ATOM 696 O VAL A 51 -4.647 3.631 8.467 1.00 0.00 O ATOM 697 CB VAL A 51 -6.467 4.425 5.940 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.168 3.363 4.866 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.642 5.275 5.437 1.00 0.00 C ATOM 0 H VAL A 51 -6.717 5.719 8.149 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.594 3.094 7.182 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.587 5.050 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.964 3.855 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.299 2.777 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.029 2.704 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.393 5.701 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.529 4.649 5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.839 6.079 6.146 1.00 0.00 H new ATOM 709 N GLY A 52 -5.505 1.706 7.669 1.00 0.00 N ATOM 710 CA GLY A 52 -4.357 0.853 8.015 1.00 0.00 C ATOM 711 C GLY A 52 -3.353 0.712 6.866 1.00 0.00 C ATOM 712 O GLY A 52 -3.722 0.857 5.703 1.00 0.00 O ATOM 0 H GLY A 52 -6.279 1.188 7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.850 1.270 8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.718 -0.136 8.299 1.00 0.00 H new ATOM 716 N HIS A 53 -2.092 0.386 7.161 1.00 0.00 N ATOM 717 CA HIS A 53 -1.053 0.139 6.145 1.00 0.00 C ATOM 718 C HIS A 53 -0.317 -1.193 6.387 1.00 0.00 C ATOM 719 O HIS A 53 0.169 -1.445 7.492 1.00 0.00 O ATOM 720 CB HIS A 53 -0.035 1.296 6.142 1.00 0.00 C ATOM 721 CG HIS A 53 0.724 1.473 4.844 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.919 2.141 4.685 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.316 1.122 3.580 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.209 2.191 3.371 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.240 1.605 2.657 1.00 0.00 N ATOM 0 H HIS A 53 -1.756 0.284 8.119 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.550 0.077 5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.561 2.224 6.368 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.682 1.132 6.946 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.488 2.532 5.436 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.576 0.562 3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.097 2.640 2.952 1.00 0.00 H new ATOM 733 N LEU A 54 -0.204 -2.032 5.353 1.00 0.00 N ATOM 734 CA LEU A 54 0.493 -3.317 5.383 1.00 0.00 C ATOM 735 C LEU A 54 1.740 -3.230 4.485 1.00 0.00 C ATOM 736 O LEU A 54 1.623 -3.162 3.261 1.00 0.00 O ATOM 737 CB LEU A 54 -0.501 -4.415 4.939 1.00 0.00 C ATOM 738 CG LEU A 54 -0.303 -5.788 5.606 1.00 0.00 C ATOM 739 CD1 LEU A 54 -1.324 -6.773 5.021 1.00 0.00 C ATOM 740 CD2 LEU A 54 1.119 -6.352 5.463 1.00 0.00 C ATOM 0 H LEU A 54 -0.611 -1.826 4.441 1.00 0.00 H new ATOM 0 HA LEU A 54 0.841 -3.570 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.514 -4.071 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.422 -4.539 3.859 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.458 -5.650 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.194 -7.750 5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.333 -6.410 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.171 -6.859 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.178 -7.321 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.359 -6.470 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.831 -5.666 5.922 1.00 0.00 H new ATOM 751 N LYS A 55 2.936 -3.227 5.080 1.00 0.00 N ATOM 752 CA LYS A 55 4.211 -3.175 4.352 1.00 0.00 C ATOM 753 C LYS A 55 4.715 -4.586 4.011 1.00 0.00 C ATOM 754 O LYS A 55 5.361 -5.239 4.837 1.00 0.00 O ATOM 755 CB LYS A 55 5.281 -2.453 5.181 1.00 0.00 C ATOM 756 CG LYS A 55 5.130 -0.939 5.337 1.00 0.00 C ATOM 757 CD LYS A 55 4.210 -0.456 6.466 1.00 0.00 C ATOM 758 CE LYS A 55 4.675 -0.914 7.854 1.00 0.00 C ATOM 759 NZ LYS A 55 3.751 -0.442 8.924 1.00 0.00 N ATOM 0 H LYS A 55 3.050 -3.261 6.093 1.00 0.00 H new ATOM 0 HA LYS A 55 4.032 -2.626 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.296 -2.897 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.252 -2.652 4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.120 -0.512 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.757 -0.534 4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.160 0.633 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.200 -0.825 6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.735 -2.002 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.679 -0.535 8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.095 -0.769 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.713 0.597 8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.799 -0.824 8.754 1.00 0.00 H new ATOM 769 N VAL A 56 4.442 -5.057 2.800 1.00 0.00 N ATOM 770 CA VAL A 56 4.724 -6.432 2.356 1.00 0.00 C ATOM 771 C VAL A 56 6.132 -6.526 1.766 1.00 0.00 C ATOM 772 O VAL A 56 6.406 -5.909 0.737 1.00 0.00 O ATOM 773 CB VAL A 56 3.703 -6.888 1.291 1.00 0.00 C ATOM 774 CG1 VAL A 56 3.930 -8.360 0.907 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.247 -6.722 1.753 1.00 0.00 C ATOM 0 H VAL A 56 4.007 -4.485 2.076 1.00 0.00 H new ATOM 0 HA VAL A 56 4.648 -7.082 3.228 1.00 0.00 H new ATOM 0 HB VAL A 56 3.865 -6.243 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.198 -8.657 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.935 -8.480 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.818 -8.988 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.574 -7.058 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.080 -7.317 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.052 -5.672 1.973 1.00 0.00 H new ATOM 785 N GLU A 57 7.011 -7.313 2.400 1.00 0.00 N ATOM 786 CA GLU A 57 8.316 -7.676 1.827 1.00 0.00 C ATOM 787 C GLU A 57 8.128 -8.524 0.562 1.00 0.00 C ATOM 788 O GLU A 57 7.830 -9.715 0.620 1.00 0.00 O ATOM 789 CB GLU A 57 9.211 -8.424 2.832 1.00 0.00 C ATOM 790 CG GLU A 57 9.969 -7.483 3.770 1.00 0.00 C ATOM 791 CD GLU A 57 10.980 -8.229 4.651 1.00 0.00 C ATOM 792 OE1 GLU A 57 12.024 -8.685 4.129 1.00 0.00 O ATOM 793 OE2 GLU A 57 10.754 -8.330 5.879 1.00 0.00 O ATOM 0 H GLU A 57 6.840 -7.715 3.321 1.00 0.00 H new ATOM 0 HA GLU A 57 8.820 -6.744 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.596 -9.101 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.927 -9.039 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.491 -6.729 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.257 -6.955 4.405 1.00 0.00 H new ATOM 798 N ASP A 58 8.369 -7.905 -0.587 1.00 0.00 N ATOM 799 CA ASP A 58 8.468 -8.531 -1.908 1.00 0.00 C ATOM 800 C ASP A 58 9.960 -8.593 -2.342 1.00 0.00 C ATOM 801 O ASP A 58 10.859 -8.459 -1.503 1.00 0.00 O ATOM 802 CB ASP A 58 7.553 -7.737 -2.857 1.00 0.00 C ATOM 803 CG ASP A 58 7.114 -8.576 -4.061 1.00 0.00 C ATOM 804 OD1 ASP A 58 7.837 -8.561 -5.076 1.00 0.00 O ATOM 805 OD2 ASP A 58 6.069 -9.260 -3.978 1.00 0.00 O ATOM 0 H ASP A 58 8.509 -6.896 -0.629 1.00 0.00 H new ATOM 0 HA ASP A 58 8.127 -9.566 -1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.673 -7.396 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.077 -6.847 -3.206 1.00 0.00 H new ATOM 809 N GLY A 59 10.275 -8.804 -3.624 1.00 0.00 N ATOM 810 CA GLY A 59 11.658 -8.851 -4.114 1.00 0.00 C ATOM 811 C GLY A 59 11.813 -9.265 -5.585 1.00 0.00 C ATOM 812 O GLY A 59 10.824 -9.270 -6.325 1.00 0.00 O ATOM 0 H GLY A 59 9.577 -8.947 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.108 -7.868 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.223 -9.548 -3.495 1.00 0.00 H new ATOM 816 N PRO A 60 13.046 -9.607 -6.030 1.00 0.00 N ATOM 817 CA PRO A 60 13.328 -10.095 -7.382 1.00 0.00 C ATOM 818 C PRO A 60 12.485 -11.324 -7.741 1.00 0.00 C ATOM 819 O PRO A 60 11.923 -11.379 -8.831 1.00 0.00 O ATOM 820 CB PRO A 60 14.829 -10.408 -7.409 1.00 0.00 C ATOM 821 CG PRO A 60 15.403 -9.490 -6.326 1.00 0.00 C ATOM 822 CD PRO A 60 14.285 -9.473 -5.281 1.00 0.00 C ATOM 0 HA PRO A 60 13.065 -9.346 -8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.024 -11.458 -7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.265 -10.199 -8.386 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.335 -9.879 -5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.615 -8.492 -6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.402 -10.290 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.298 -8.546 -4.708 1.00 0.00 H new ATOM 827 N GLY A 61 12.327 -12.263 -6.799 1.00 0.00 N ATOM 828 CA GLY A 61 11.270 -13.275 -6.818 1.00 0.00 C ATOM 829 C GLY A 61 10.012 -12.693 -6.178 1.00 0.00 C ATOM 830 O GLY A 61 9.977 -12.482 -4.963 1.00 0.00 O ATOM 0 H GLY A 61 12.943 -12.339 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.063 -13.583 -7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.591 -14.165 -6.276 1.00 0.00 H new ATOM 834 N ARG A 62 8.991 -12.432 -7.002 1.00 0.00 N ATOM 835 CA ARG A 62 7.748 -11.785 -6.577 1.00 0.00 C ATOM 836 C ARG A 62 6.922 -12.671 -5.629 1.00 0.00 C ATOM 837 O ARG A 62 6.897 -13.895 -5.782 1.00 0.00 O ATOM 838 CB ARG A 62 6.887 -11.404 -7.793 1.00 0.00 C ATOM 839 CG ARG A 62 7.524 -10.448 -8.818 1.00 0.00 C ATOM 840 CD ARG A 62 7.824 -9.061 -8.238 1.00 0.00 C ATOM 841 NE ARG A 62 8.196 -8.124 -9.313 1.00 0.00 N ATOM 842 CZ ARG A 62 9.380 -7.569 -9.535 1.00 0.00 C ATOM 843 NH1 ARG A 62 10.428 -7.811 -8.778 1.00 0.00 N ATOM 844 NH2 ARG A 62 9.524 -6.736 -10.540 1.00 0.00 N ATOM 0 H ARG A 62 9.006 -12.668 -7.994 1.00 0.00 H new ATOM 0 HA ARG A 62 8.038 -10.885 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.606 -12.321 -8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.966 -10.948 -7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.449 -10.888 -9.191 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.855 -10.342 -9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.950 -8.685 -7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.634 -9.131 -7.512 1.00 0.00 H new ATOM 0 HE ARG A 62 7.453 -7.872 -9.965 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.348 -8.447 -7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.321 -7.363 -8.984 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.729 -6.521 -11.142 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.431 -6.304 -10.719 1.00 0.00 H new ATOM 855 N ARG A 63 6.223 -12.032 -4.685 1.00 0.00 N ATOM 856 CA ARG A 63 5.263 -12.654 -3.757 1.00 0.00 C ATOM 857 C ARG A 63 3.866 -12.029 -3.961 1.00 0.00 C ATOM 858 O ARG A 63 3.341 -12.094 -5.076 1.00 0.00 O ATOM 859 CB ARG A 63 5.809 -12.604 -2.317 1.00 0.00 C ATOM 860 CG ARG A 63 6.977 -13.585 -2.126 1.00 0.00 C ATOM 861 CD ARG A 63 7.504 -13.586 -0.683 1.00 0.00 C ATOM 862 NE ARG A 63 8.312 -12.392 -0.387 1.00 0.00 N ATOM 863 CZ ARG A 63 9.617 -12.258 -0.587 1.00 0.00 C ATOM 864 NH1 ARG A 63 10.355 -13.197 -1.144 1.00 0.00 N ATOM 865 NH2 ARG A 63 10.196 -11.147 -0.205 1.00 0.00 N ATOM 0 H ARG A 63 6.312 -11.027 -4.538 1.00 0.00 H new ATOM 0 HA ARG A 63 5.138 -13.716 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.141 -11.592 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.011 -12.845 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.652 -14.591 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.786 -13.320 -2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.663 -13.635 0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.105 -14.480 -0.518 1.00 0.00 H new ATOM 0 HE ARG A 63 7.822 -11.590 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.926 -14.073 -1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.355 -13.048 -1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.645 -10.410 0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.198 -11.019 -0.347 1.00 0.00 H new ATOM 876 N LEU A 64 3.252 -11.445 -2.924 1.00 0.00 N ATOM 877 CA LEU A 64 1.842 -11.013 -2.899 1.00 0.00 C ATOM 878 C LEU A 64 1.467 -10.088 -4.069 1.00 0.00 C ATOM 879 O LEU A 64 0.398 -10.272 -4.648 1.00 0.00 O ATOM 880 CB LEU A 64 1.566 -10.362 -1.527 1.00 0.00 C ATOM 881 CG LEU A 64 0.087 -10.102 -1.186 1.00 0.00 C ATOM 882 CD1 LEU A 64 -0.790 -11.356 -1.315 1.00 0.00 C ATOM 883 CD2 LEU A 64 -0.038 -9.578 0.246 1.00 0.00 C ATOM 0 H LEU A 64 3.737 -11.252 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 64 1.204 -11.887 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.989 -11.001 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.100 -9.413 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.265 -9.366 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.820 -11.107 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.748 -11.726 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.425 -12.127 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.088 -9.397 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.364 -10.316 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.520 -8.647 0.343 1.00 0.00 H new ATOM 894 N GLY A 65 2.355 -9.179 -4.504 1.00 0.00 N ATOM 895 CA GLY A 65 2.109 -8.265 -5.631 1.00 0.00 C ATOM 896 C GLY A 65 1.883 -8.963 -6.982 1.00 0.00 C ATOM 897 O GLY A 65 1.201 -8.414 -7.851 1.00 0.00 O ATOM 0 H GLY A 65 3.274 -9.057 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.236 -7.653 -5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.958 -7.587 -5.724 1.00 0.00 H new ATOM 901 N ARG A 66 2.366 -10.205 -7.150 1.00 0.00 N ATOM 902 CA ARG A 66 2.040 -11.039 -8.315 1.00 0.00 C ATOM 903 C ARG A 66 0.584 -11.522 -8.279 1.00 0.00 C ATOM 904 O ARG A 66 -0.084 -11.510 -9.308 1.00 0.00 O ATOM 905 CB ARG A 66 3.022 -12.214 -8.406 1.00 0.00 C ATOM 906 CG ARG A 66 2.894 -12.963 -9.743 1.00 0.00 C ATOM 907 CD ARG A 66 3.968 -14.051 -9.878 1.00 0.00 C ATOM 908 NE ARG A 66 3.954 -14.650 -11.226 1.00 0.00 N ATOM 909 CZ ARG A 66 3.166 -15.626 -11.664 1.00 0.00 C ATOM 910 NH1 ARG A 66 2.267 -16.211 -10.893 1.00 0.00 N ATOM 911 NH2 ARG A 66 3.276 -16.041 -12.909 1.00 0.00 N ATOM 0 H ARG A 66 2.992 -10.657 -6.483 1.00 0.00 H new ATOM 0 HA ARG A 66 2.143 -10.430 -9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.041 -11.845 -8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.839 -12.905 -7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.905 -13.415 -9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.983 -12.256 -10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.950 -13.623 -9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.800 -14.827 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 66 4.624 -14.273 -11.896 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.158 -15.917 -9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.681 -16.957 -11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.963 -15.614 -13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.674 -16.790 -13.252 1.00 0.00 H new ATOM 922 N SER A 67 0.053 -11.853 -7.105 1.00 0.00 N ATOM 923 CA SER A 67 -1.340 -12.294 -6.911 1.00 0.00 C ATOM 924 C SER A 67 -2.342 -11.126 -6.937 1.00 0.00 C ATOM 925 O SER A 67 -3.543 -11.344 -7.116 1.00 0.00 O ATOM 926 CB SER A 67 -1.473 -13.038 -5.566 1.00 0.00 C ATOM 927 OG SER A 67 -0.476 -14.045 -5.406 1.00 0.00 O ATOM 0 H SER A 67 0.586 -11.824 -6.236 1.00 0.00 H new ATOM 0 HA SER A 67 -1.579 -12.956 -7.743 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.398 -12.322 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.461 -13.494 -5.501 1.00 0.00 H new ATOM 0 HG SER A 67 -0.596 -14.490 -4.541 1.00 0.00 H new ATOM 932 N PHE A 68 -1.854 -9.890 -6.788 1.00 0.00 N ATOM 933 CA PHE A 68 -2.565 -8.660 -7.159 1.00 0.00 C ATOM 934 C PHE A 68 -2.348 -8.258 -8.625 1.00 0.00 C ATOM 935 O PHE A 68 -3.015 -7.347 -9.104 1.00 0.00 O ATOM 936 CB PHE A 68 -2.110 -7.522 -6.233 1.00 0.00 C ATOM 937 CG PHE A 68 -2.806 -7.533 -4.890 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.269 -8.265 -3.823 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.993 -6.807 -4.710 1.00 0.00 C ATOM 940 CE1 PHE A 68 -2.908 -8.264 -2.574 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.629 -6.788 -3.457 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.089 -7.517 -2.382 1.00 0.00 C ATOM 0 H PHE A 68 -0.929 -9.712 -6.396 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.632 -8.851 -7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.034 -7.597 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.296 -6.567 -6.724 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.360 -8.832 -3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.420 -6.260 -5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.494 -8.837 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.533 -6.213 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.575 -7.505 -1.417 1.00 0.00 H new ATOM 951 N GLN A 69 -1.433 -8.913 -9.345 1.00 0.00 N ATOM 952 CA GLN A 69 -1.081 -8.658 -10.743 1.00 0.00 C ATOM 953 C GLN A 69 -0.580 -7.212 -10.933 1.00 0.00 C ATOM 954 O GLN A 69 -1.031 -6.481 -11.813 1.00 0.00 O ATOM 955 CB GLN A 69 -2.233 -9.075 -11.685 1.00 0.00 C ATOM 956 CG GLN A 69 -2.506 -10.595 -11.664 1.00 0.00 C ATOM 957 CD GLN A 69 -3.289 -11.164 -10.476 1.00 0.00 C ATOM 958 OE1 GLN A 69 -3.097 -12.315 -10.091 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.189 -10.434 -9.847 1.00 0.00 N ATOM 0 H GLN A 69 -0.889 -9.677 -8.945 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.238 -9.288 -11.026 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.141 -8.544 -11.398 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.992 -8.768 -12.703 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.047 -10.851 -12.575 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.546 -11.108 -11.709 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.368 -9.475 -10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.706 -10.828 -9.061 1.00 0.00 H new ATOM 966 N VAL A 70 0.340 -6.786 -10.064 1.00 0.00 N ATOM 967 CA VAL A 70 0.995 -5.464 -10.085 1.00 0.00 C ATOM 968 C VAL A 70 1.872 -5.297 -11.335 1.00 0.00 C ATOM 969 O VAL A 70 2.608 -6.209 -11.714 1.00 0.00 O ATOM 970 CB VAL A 70 1.813 -5.268 -8.785 1.00 0.00 C ATOM 971 CG1 VAL A 70 2.800 -4.093 -8.849 1.00 0.00 C ATOM 972 CG2 VAL A 70 0.855 -5.065 -7.601 1.00 0.00 C ATOM 0 H VAL A 70 0.666 -7.371 -9.294 1.00 0.00 H new ATOM 0 HA VAL A 70 0.228 -4.691 -10.132 1.00 0.00 H new ATOM 0 HB VAL A 70 2.410 -6.171 -8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.337 -4.017 -7.904 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.511 -4.259 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.253 -3.168 -9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.431 -4.927 -6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.239 -4.183 -7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.214 -5.940 -7.497 1.00 0.00 H new ATOM 982 N LYS A 71 1.807 -4.117 -11.972 1.00 0.00 N ATOM 983 CA LYS A 71 2.528 -3.809 -13.226 1.00 0.00 C ATOM 984 C LYS A 71 3.987 -3.365 -13.023 1.00 0.00 C ATOM 985 O LYS A 71 4.879 -3.836 -13.739 1.00 0.00 O ATOM 986 CB LYS A 71 1.730 -2.730 -14.002 1.00 0.00 C ATOM 987 CG LYS A 71 0.852 -3.326 -15.114 1.00 0.00 C ATOM 988 CD LYS A 71 -0.246 -4.301 -14.650 1.00 0.00 C ATOM 989 CE LYS A 71 -1.325 -3.596 -13.811 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.385 -4.547 -13.395 1.00 0.00 N ATOM 0 H LYS A 71 1.246 -3.337 -11.629 1.00 0.00 H new ATOM 0 HA LYS A 71 2.592 -4.735 -13.798 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.100 -2.178 -13.304 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.426 -2.014 -14.439 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.379 -2.507 -15.656 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.498 -3.846 -15.822 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.710 -4.766 -15.520 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.204 -5.101 -14.063 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.868 -3.147 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.767 -2.784 -14.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.109 -4.041 -12.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.823 -4.969 -14.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.967 -5.298 -12.810 1.00 0.00 H new ATOM 1000 N LEU A 72 4.234 -2.459 -12.066 1.00 0.00 N ATOM 1001 CA LEU A 72 5.575 -1.969 -11.699 1.00 0.00 C ATOM 1002 C LEU A 72 6.120 -2.830 -10.545 1.00 0.00 C ATOM 1003 O LEU A 72 6.159 -4.061 -10.655 1.00 0.00 O ATOM 1004 CB LEU A 72 5.472 -0.447 -11.420 1.00 0.00 C ATOM 1005 CG LEU A 72 6.808 0.337 -11.432 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.442 0.354 -12.828 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.569 1.775 -10.972 1.00 0.00 C ATOM 0 H LEU A 72 3.491 -2.035 -11.511 1.00 0.00 H new ATOM 0 HA LEU A 72 6.307 -2.075 -12.500 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.808 -0.006 -12.163 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.000 -0.307 -10.447 1.00 0.00 H new ATOM 0 HG LEU A 72 7.493 -0.168 -10.751 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.377 0.913 -12.796 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.641 -0.668 -13.150 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.759 0.829 -13.532 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.512 2.322 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.861 2.259 -11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.163 1.771 -9.960 1.00 0.00 H new ATOM 1018 N TRP A 73 6.509 -2.206 -9.431 1.00 0.00 N ATOM 1019 CA TRP A 73 6.838 -2.884 -8.172 1.00 0.00 C ATOM 1020 C TRP A 73 6.548 -2.023 -6.930 1.00 0.00 C ATOM 1021 O TRP A 73 5.851 -2.537 -6.048 1.00 0.00 O ATOM 1022 CB TRP A 73 8.295 -3.351 -8.212 1.00 0.00 C ATOM 1023 CG TRP A 73 8.701 -4.251 -7.090 1.00 0.00 C ATOM 1024 CD1 TRP A 73 8.319 -5.533 -6.918 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.572 -3.940 -5.968 1.00 0.00 C ATOM 1026 NE1 TRP A 73 8.935 -6.049 -5.798 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.746 -5.117 -5.182 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.234 -2.769 -5.547 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.586 -5.145 -4.056 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 11.055 -2.775 -4.406 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.253 -3.963 -3.677 1.00 0.00 C ATOM 0 H TRP A 73 6.607 -1.192 -9.376 1.00 0.00 H new ATOM 0 HA TRP A 73 6.185 -3.752 -8.079 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.469 -3.870 -9.155 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.942 -2.474 -8.207 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.636 -6.072 -7.558 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.807 -7.004 -5.465 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.109 -1.855 -6.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.718 -6.056 -3.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.537 -1.863 -4.087 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.917 -3.968 -2.826 1.00 0.00 H new ATOM 1041 N PRO A 74 6.989 -0.742 -6.841 1.00 0.00 N ATOM 1042 CA PRO A 74 6.535 0.164 -5.800 1.00 0.00 C ATOM 1043 C PRO A 74 5.086 0.572 -6.096 1.00 0.00 C ATOM 1044 O PRO A 74 4.804 1.463 -6.903 1.00 0.00 O ATOM 1045 CB PRO A 74 7.508 1.343 -5.800 1.00 0.00 C ATOM 1046 CG PRO A 74 7.911 1.432 -7.268 1.00 0.00 C ATOM 1047 CD PRO A 74 7.976 -0.037 -7.665 1.00 0.00 C ATOM 0 HA PRO A 74 6.530 -0.287 -4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.034 2.261 -5.452 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.366 1.162 -5.153 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.180 1.983 -7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.870 1.933 -7.399 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.754 -0.161 -8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.976 -0.439 -7.499 1.00 0.00 H new ATOM 1052 N THR A 75 4.151 -0.164 -5.495 1.00 0.00 N ATOM 1053 CA THR A 75 2.718 -0.127 -5.793 1.00 0.00 C ATOM 1054 C THR A 75 1.968 -0.481 -4.522 1.00 0.00 C ATOM 1055 O THR A 75 2.419 -1.324 -3.742 1.00 0.00 O ATOM 1056 CB THR A 75 2.375 -1.138 -6.895 1.00 0.00 C ATOM 1057 OG1 THR A 75 3.052 -0.764 -8.067 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.876 -1.200 -7.226 1.00 0.00 C ATOM 0 H THR A 75 4.380 -0.830 -4.757 1.00 0.00 H new ATOM 0 HA THR A 75 2.435 0.866 -6.142 1.00 0.00 H new ATOM 0 HB THR A 75 2.674 -2.119 -6.527 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.466 -0.899 -8.841 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.707 -1.935 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.318 -1.488 -6.335 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.538 -0.221 -7.565 1.00 0.00 H new ATOM 1066 N PHE A 76 0.826 0.169 -4.314 1.00 0.00 N ATOM 1067 CA PHE A 76 -0.001 -0.024 -3.133 1.00 0.00 C ATOM 1068 C PHE A 76 -1.486 -0.070 -3.519 1.00 0.00 C ATOM 1069 O PHE A 76 -2.012 0.825 -4.186 1.00 0.00 O ATOM 1070 CB PHE A 76 0.334 1.022 -2.059 1.00 0.00 C ATOM 1071 CG PHE A 76 0.816 2.357 -2.573 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.166 2.533 -2.936 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.093 3.414 -2.695 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.594 3.754 -3.474 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.353 4.649 -3.174 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.679 4.809 -3.604 1.00 0.00 C ATOM 0 H PHE A 76 0.447 0.852 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 76 0.222 -0.992 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.554 1.187 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.099 0.609 -1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.871 1.726 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.129 3.277 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.620 3.882 -3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.328 5.486 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.996 5.747 -4.036 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.147 -1.153 -3.107 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.544 -1.487 -3.430 1.00 0.00 C ATOM 1087 C VAL A 77 -4.429 -1.137 -2.236 1.00 0.00 C ATOM 1088 O VAL A 77 -4.195 -1.618 -1.127 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.706 -2.971 -3.847 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.150 -3.262 -4.293 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.771 -3.325 -5.016 1.00 0.00 C ATOM 0 H VAL A 77 -1.708 -1.856 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.856 -0.897 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.453 -3.573 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.238 -4.310 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.834 -3.053 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.402 -2.630 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.907 -4.372 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.007 -2.695 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.736 -3.159 -4.717 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.433 -0.289 -2.466 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.415 0.113 -1.461 1.00 0.00 C ATOM 1103 C PHE A 78 -7.530 -0.931 -1.408 1.00 0.00 C ATOM 1104 O PHE A 78 -8.255 -1.149 -2.388 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.977 1.517 -1.756 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.960 2.651 -1.709 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -5.055 2.804 -2.776 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.864 3.508 -0.594 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -4.047 3.778 -2.726 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.880 4.516 -0.567 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.972 4.647 -1.635 1.00 0.00 C ATOM 0 H PHE A 78 -5.588 0.146 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.928 0.167 -0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.438 1.505 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.768 1.731 -1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.138 2.165 -3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.543 3.392 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.330 3.856 -3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.822 5.190 0.275 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.218 5.419 -1.611 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.663 -1.573 -0.253 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.724 -2.513 0.066 1.00 0.00 C ATOM 1122 C LEU A 79 -9.757 -1.836 0.970 1.00 0.00 C ATOM 1123 O LEU A 79 -9.453 -0.906 1.726 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.174 -3.749 0.812 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.371 -4.792 0.022 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -8.232 -5.732 -0.815 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -6.282 -4.199 -0.860 1.00 0.00 C ATOM 0 H LEU A 79 -7.006 -1.445 0.517 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.176 -2.831 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.541 -3.390 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.020 -4.261 1.270 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.893 -5.373 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.592 -6.439 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.915 -6.277 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.806 -5.153 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.761 -5.001 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.731 -3.522 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.572 -3.649 -0.242 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.970 -2.379 0.920 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.099 -2.063 1.805 1.00 0.00 C ATOM 1140 C ARG A 80 -13.139 -3.185 1.727 1.00 0.00 C ATOM 1141 O ARG A 80 -13.451 -3.669 0.642 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.677 -0.668 1.480 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.410 -0.038 2.672 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.682 1.458 2.431 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.321 2.072 3.610 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.267 3.349 3.985 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.596 4.268 3.322 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -14.906 3.736 5.069 1.00 0.00 N ATOM 0 H ARG A 80 -11.210 -3.088 0.227 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.758 -2.010 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.868 -0.008 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.365 -0.751 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.353 -0.559 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.813 -0.161 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.746 1.971 2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.325 1.579 1.559 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.866 1.448 4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.084 4.015 2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.588 5.232 3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.438 3.059 5.616 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.869 4.712 5.362 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.602 -3.664 2.885 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.498 -4.831 3.029 1.00 0.00 C ATOM 1161 C ASP A 81 -13.876 -6.140 2.478 1.00 0.00 C ATOM 1162 O ASP A 81 -14.582 -7.045 2.027 1.00 0.00 O ATOM 1163 CB ASP A 81 -15.877 -4.518 2.413 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.003 -5.449 2.907 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.110 -5.673 4.138 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.797 -5.927 2.063 1.00 0.00 O ATOM 0 H ASP A 81 -13.360 -3.241 3.781 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.639 -5.016 4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.143 -3.487 2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.806 -4.593 1.328 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.538 -6.211 2.457 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.759 -7.331 1.898 1.00 0.00 C ATOM 1172 C GLY A 82 -11.646 -7.338 0.367 1.00 0.00 C ATOM 1173 O GLY A 82 -11.083 -8.273 -0.196 1.00 0.00 O ATOM 0 H GLY A 82 -11.948 -5.471 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.755 -7.304 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.215 -8.268 2.219 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.151 -6.300 -0.310 1.00 0.00 N ATOM 1178 CA ARG A 83 -12.169 -6.137 -1.765 1.00 0.00 C ATOM 1179 C ARG A 83 -11.266 -4.969 -2.157 1.00 0.00 C ATOM 1180 O ARG A 83 -11.224 -3.965 -1.450 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.615 -5.847 -2.210 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.795 -6.042 -3.720 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.119 -5.437 -4.211 1.00 0.00 C ATOM 1184 NE ARG A 83 -15.386 -5.767 -5.626 1.00 0.00 N ATOM 1185 CZ ARG A 83 -14.858 -5.203 -6.708 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -13.923 -4.275 -6.642 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -15.277 -5.577 -7.900 1.00 0.00 N ATOM 0 H ARG A 83 -12.581 -5.509 0.170 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.807 -7.045 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.299 -6.505 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.880 -4.824 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.963 -5.578 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.770 -7.106 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.937 -5.805 -3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.090 -4.354 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.056 -6.518 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.577 -3.963 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.546 -3.869 -7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.999 -6.292 -7.986 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.879 -5.151 -8.737 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.555 -5.064 -3.276 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.868 -3.912 -3.862 1.00 0.00 C ATOM 1200 C GLU A 84 -10.904 -2.845 -4.248 1.00 0.00 C ATOM 1201 O GLU A 84 -11.874 -3.134 -4.951 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.980 -4.326 -5.048 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.429 -3.136 -5.843 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.450 -3.529 -6.959 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -7.185 -4.732 -7.181 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.925 -2.619 -7.639 1.00 0.00 O ATOM 0 H GLU A 84 -10.438 -5.931 -3.800 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.194 -3.481 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.146 -4.922 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.556 -4.965 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.263 -2.588 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.926 -2.455 -5.156 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.674 -1.614 -3.787 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.434 -0.413 -4.191 1.00 0.00 C ATOM 1213 C VAL A 85 -10.648 0.459 -5.180 1.00 0.00 C ATOM 1214 O VAL A 85 -11.256 1.181 -5.966 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.876 0.430 -2.974 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.985 -0.294 -2.214 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.729 0.771 -2.001 1.00 0.00 C ATOM 0 H VAL A 85 -9.940 -1.412 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.329 -0.777 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.236 1.376 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.291 0.307 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.839 -0.446 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.618 -1.260 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.118 1.364 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.294 -0.151 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.963 1.341 -2.527 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.313 0.353 -5.168 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.382 1.091 -6.027 1.00 0.00 C ATOM 1229 C ALA A 86 -6.949 0.583 -5.841 1.00 0.00 C ATOM 1230 O ALA A 86 -6.684 -0.244 -4.968 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.433 2.581 -5.659 1.00 0.00 C ATOM 0 H ALA A 86 -8.832 -0.280 -4.529 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.675 0.943 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.743 3.136 -6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.445 2.958 -5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.147 2.708 -4.615 1.00 0.00 H new ATOM 1237 N ARG A 87 -6.010 1.187 -6.571 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.577 1.101 -6.313 1.00 0.00 C ATOM 1239 C ARG A 87 -3.826 2.289 -6.917 1.00 0.00 C ATOM 1240 O ARG A 87 -4.299 2.910 -7.868 1.00 0.00 O ATOM 1241 CB ARG A 87 -4.036 -0.246 -6.791 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.097 -0.423 -8.311 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.379 -1.715 -8.679 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.217 -2.900 -8.436 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.866 -4.156 -8.657 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.696 -4.490 -9.159 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.715 -5.118 -8.390 1.00 0.00 N ATOM 0 H ARG A 87 -6.235 1.765 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.410 1.157 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.002 -0.351 -6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.604 -1.046 -6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.133 -0.457 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.629 0.425 -8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.092 -1.683 -9.730 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.459 -1.796 -8.100 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.153 -2.738 -8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.017 -3.766 -9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.469 -5.472 -9.312 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.637 -4.895 -8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.454 -6.090 -8.557 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.666 2.601 -6.359 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.760 3.673 -6.816 1.00 0.00 C ATOM 1260 C VAL A 88 -0.357 3.095 -7.019 1.00 0.00 C ATOM 1261 O VAL A 88 0.065 2.199 -6.293 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.732 4.822 -5.786 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.688 5.915 -6.098 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -3.086 5.519 -5.595 1.00 0.00 C ATOM 0 H VAL A 88 -2.306 2.103 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.120 4.076 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.456 4.306 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.729 6.687 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.308 5.473 -6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.905 6.358 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.985 6.314 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.413 5.944 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.823 4.794 -5.249 1.00 0.00 H new ATOM 1274 N VAL A 89 0.358 3.604 -8.018 1.00 0.00 N ATOM 1275 CA VAL A 89 1.699 3.154 -8.430 1.00 0.00 C ATOM 1276 C VAL A 89 2.557 4.370 -8.796 1.00 0.00 C ATOM 1277 O VAL A 89 2.037 5.351 -9.330 1.00 0.00 O ATOM 1278 CB VAL A 89 1.605 2.120 -9.585 1.00 0.00 C ATOM 1279 CG1 VAL A 89 0.676 2.548 -10.733 1.00 0.00 C ATOM 1280 CG2 VAL A 89 2.974 1.759 -10.178 1.00 0.00 C ATOM 0 H VAL A 89 0.011 4.373 -8.591 1.00 0.00 H new ATOM 0 HA VAL A 89 2.185 2.642 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 89 1.174 1.242 -9.103 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.664 1.773 -11.500 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.334 2.694 -10.349 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.038 3.481 -11.165 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.843 1.033 -10.980 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.447 2.657 -10.575 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.606 1.330 -9.400 1.00 0.00 H new ATOM 1290 N ARG A 90 3.858 4.310 -8.479 1.00 0.00 N ATOM 1291 CA ARG A 90 4.879 5.322 -8.742 1.00 0.00 C ATOM 1292 C ARG A 90 4.422 6.772 -8.395 1.00 0.00 C ATOM 1293 O ARG A 90 4.198 7.574 -9.310 1.00 0.00 O ATOM 1294 CB ARG A 90 5.382 5.130 -10.179 1.00 0.00 C ATOM 1295 CG ARG A 90 6.834 5.581 -10.389 1.00 0.00 C ATOM 1296 CD ARG A 90 7.852 4.995 -9.388 1.00 0.00 C ATOM 1297 NE ARG A 90 9.238 4.948 -9.894 1.00 0.00 N ATOM 1298 CZ ARG A 90 10.029 5.954 -10.238 1.00 0.00 C ATOM 1299 NH1 ARG A 90 9.627 7.208 -10.264 1.00 0.00 N ATOM 1300 NH2 ARG A 90 11.274 5.685 -10.557 1.00 0.00 N ATOM 0 H ARG A 90 4.246 3.497 -8.000 1.00 0.00 H new ATOM 0 HA ARG A 90 5.721 5.180 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.295 4.077 -10.447 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.736 5.686 -10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.141 5.307 -11.398 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.873 6.669 -10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.830 5.589 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.541 3.986 -9.119 1.00 0.00 H new ATOM 0 HE ARG A 90 9.641 4.016 -9.992 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.667 7.441 -10.012 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.276 7.946 -10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.609 4.722 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.906 6.439 -10.826 1.00 0.00 H new ATOM 1311 N PRO A 91 4.236 7.113 -7.099 1.00 0.00 N ATOM 1312 CA PRO A 91 3.453 8.280 -6.647 1.00 0.00 C ATOM 1313 C PRO A 91 4.011 9.645 -7.071 1.00 0.00 C ATOM 1314 O PRO A 91 3.237 10.509 -7.479 1.00 0.00 O ATOM 1315 CB PRO A 91 3.393 8.174 -5.126 1.00 0.00 C ATOM 1316 CG PRO A 91 4.562 7.258 -4.749 1.00 0.00 C ATOM 1317 CD PRO A 91 4.650 6.320 -5.948 1.00 0.00 C ATOM 0 HA PRO A 91 2.473 8.246 -7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.491 9.153 -4.657 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.442 7.757 -4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.486 7.818 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.370 6.716 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.665 5.943 -6.077 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.002 5.453 -5.816 1.00 0.00 H new ATOM 1322 N GLY A 92 5.330 9.863 -6.964 1.00 0.00 N ATOM 1323 CA GLY A 92 5.997 11.116 -7.356 1.00 0.00 C ATOM 1324 C GLY A 92 5.852 12.257 -6.345 1.00 0.00 C ATOM 1325 O GLY A 92 6.861 12.792 -5.887 1.00 0.00 O ATOM 0 H GLY A 92 5.975 9.163 -6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.057 10.916 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.593 11.443 -8.314 1.00 0.00 H new ATOM 1329 N SER A 93 4.621 12.628 -5.981 1.00 0.00 N ATOM 1330 CA SER A 93 4.316 13.787 -5.129 1.00 0.00 C ATOM 1331 C SER A 93 3.052 13.550 -4.280 1.00 0.00 C ATOM 1332 O SER A 93 2.069 12.982 -4.772 1.00 0.00 O ATOM 1333 CB SER A 93 4.072 15.035 -5.996 1.00 0.00 C ATOM 1334 OG SER A 93 5.198 15.408 -6.791 1.00 0.00 O ATOM 0 H SER A 93 3.787 12.120 -6.276 1.00 0.00 H new ATOM 0 HA SER A 93 5.173 13.933 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.220 14.851 -6.651 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.802 15.870 -5.349 1.00 0.00 H new ATOM 0 HG SER A 93 4.977 16.205 -7.318 1.00 0.00 H new ATOM 1339 N ALA A 94 3.045 14.027 -3.022 1.00 0.00 N ATOM 1340 CA ALA A 94 1.931 13.882 -2.074 1.00 0.00 C ATOM 1341 C ALA A 94 0.595 14.317 -2.683 1.00 0.00 C ATOM 1342 O ALA A 94 -0.408 13.654 -2.471 1.00 0.00 O ATOM 1343 CB ALA A 94 2.271 14.659 -0.802 1.00 0.00 C ATOM 0 H ALA A 94 3.836 14.537 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 94 1.804 12.829 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.454 14.562 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.186 14.259 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.416 15.711 -1.046 1.00 0.00 H new ATOM 1349 N SER A 95 0.581 15.333 -3.544 1.00 0.00 N ATOM 1350 CA SER A 95 -0.630 15.796 -4.244 1.00 0.00 C ATOM 1351 C SER A 95 -1.337 14.691 -5.062 1.00 0.00 C ATOM 1352 O SER A 95 -2.562 14.709 -5.164 1.00 0.00 O ATOM 1353 CB SER A 95 -0.273 16.968 -5.168 1.00 0.00 C ATOM 1354 OG SER A 95 0.458 17.979 -4.485 1.00 0.00 O ATOM 0 H SER A 95 1.416 15.868 -3.782 1.00 0.00 H new ATOM 0 HA SER A 95 -1.333 16.108 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.315 16.601 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.187 17.396 -5.580 1.00 0.00 H new ATOM 0 HG SER A 95 0.668 18.707 -5.106 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.603 13.704 -5.604 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.166 12.585 -6.385 1.00 0.00 C ATOM 1361 C VAL A 96 -1.577 11.428 -5.472 1.00 0.00 C ATOM 1362 O VAL A 96 -2.610 10.787 -5.693 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.137 12.089 -7.437 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.664 10.907 -8.265 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.277 13.212 -8.400 1.00 0.00 C ATOM 0 H VAL A 96 0.412 13.659 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.055 12.949 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 96 0.729 11.759 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.095 10.600 -8.985 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.894 10.073 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.567 11.209 -8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.998 12.826 -9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.602 13.581 -8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.730 14.027 -7.835 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.799 11.166 -4.421 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.076 10.114 -3.444 1.00 0.00 C ATOM 1377 C LEU A 97 -2.266 10.486 -2.537 1.00 0.00 C ATOM 1378 O LEU A 97 -3.201 9.702 -2.398 1.00 0.00 O ATOM 1379 CB LEU A 97 0.232 9.843 -2.674 1.00 0.00 C ATOM 1380 CG LEU A 97 0.566 8.342 -2.569 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.914 8.078 -1.917 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.526 7.665 -1.755 1.00 0.00 C ATOM 0 H LEU A 97 0.055 11.687 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.388 9.193 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.054 10.359 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.151 10.263 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 97 0.620 7.941 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.092 7.004 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.701 8.552 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.917 8.489 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.308 6.600 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.567 8.109 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.487 7.800 -2.252 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.293 11.705 -1.997 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.389 12.216 -1.176 1.00 0.00 C ATOM 1395 C GLU A 98 -4.717 12.259 -1.959 1.00 0.00 C ATOM 1396 O GLU A 98 -5.762 11.932 -1.399 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.102 13.629 -0.636 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.967 13.841 0.366 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.838 15.335 0.706 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -1.194 16.090 -0.062 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.400 15.772 1.736 1.00 0.00 O ATOM 0 H GLU A 98 -1.537 12.378 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.476 11.522 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.903 14.271 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.019 13.992 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.160 13.268 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.030 13.472 -0.050 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.681 12.620 -3.251 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.847 12.640 -4.153 1.00 0.00 C ATOM 1408 C GLU A 99 -6.514 11.264 -4.265 1.00 0.00 C ATOM 1409 O GLU A 99 -7.741 11.165 -4.345 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.386 13.116 -5.545 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.429 12.909 -6.648 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.115 13.761 -7.884 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.547 14.934 -7.940 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.455 13.249 -8.821 1.00 0.00 O ATOM 0 H GLU A 99 -3.819 12.914 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.590 13.323 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.134 14.175 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.474 12.584 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.460 11.856 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.418 13.167 -6.269 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.728 10.190 -4.264 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.273 8.846 -4.178 1.00 0.00 C ATOM 1421 C ALA A 100 -6.765 8.533 -2.754 1.00 0.00 C ATOM 1422 O ALA A 100 -7.880 8.048 -2.591 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.218 7.862 -4.672 1.00 0.00 C ATOM 0 H ALA A 100 -4.710 10.229 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.152 8.756 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.611 6.847 -4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.961 8.093 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.327 7.942 -4.050 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.001 8.866 -1.707 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.373 8.551 -0.327 1.00 0.00 C ATOM 1431 C PHE A 101 -7.736 9.133 0.049 1.00 0.00 C ATOM 1432 O PHE A 101 -8.600 8.396 0.519 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.307 9.063 0.635 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.321 8.007 1.069 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.367 7.486 0.174 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.338 7.563 2.407 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.408 6.579 0.638 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.363 6.668 2.867 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.381 6.210 1.979 1.00 0.00 C ATOM 0 H PHE A 101 -5.112 9.359 -1.794 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.445 7.466 -0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.764 9.880 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.795 9.476 1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.375 7.785 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.106 7.914 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.685 6.163 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.368 6.335 3.894 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.595 5.563 2.339 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.955 10.423 -0.215 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.253 11.069 0.023 1.00 0.00 C ATOM 1450 C GLU A 102 -10.392 10.429 -0.776 1.00 0.00 C ATOM 1451 O GLU A 102 -11.517 10.330 -0.284 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.202 12.576 -0.225 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.723 13.040 -1.606 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.811 13.793 -2.395 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -9.984 15.014 -2.157 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.485 13.182 -3.256 1.00 0.00 O ATOM 0 H GLU A 102 -7.245 11.048 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.469 10.908 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.201 12.980 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.550 13.021 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.855 13.688 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.397 12.174 -2.182 1.00 0.00 H new ATOM 1461 N SER A 103 -10.105 9.917 -1.973 1.00 0.00 N ATOM 1462 CA SER A 103 -11.098 9.203 -2.783 1.00 0.00 C ATOM 1463 C SER A 103 -11.496 7.839 -2.189 1.00 0.00 C ATOM 1464 O SER A 103 -12.639 7.406 -2.361 1.00 0.00 O ATOM 1465 CB SER A 103 -10.582 9.027 -4.221 1.00 0.00 C ATOM 1466 OG SER A 103 -11.631 8.707 -5.131 1.00 0.00 O ATOM 0 H SER A 103 -9.185 9.983 -2.408 1.00 0.00 H new ATOM 0 HA SER A 103 -11.999 9.816 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.090 9.944 -4.544 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.831 8.238 -4.242 1.00 0.00 H new ATOM 0 HG SER A 103 -11.262 8.605 -6.033 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.578 7.169 -1.471 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.821 5.831 -0.893 1.00 0.00 C ATOM 1473 C LEU A 104 -11.197 5.850 0.592 1.00 0.00 C ATOM 1474 O LEU A 104 -11.895 4.949 1.059 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.608 4.905 -1.142 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.435 4.378 -2.584 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.769 4.054 -3.261 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.646 5.329 -3.480 1.00 0.00 C ATOM 0 H LEU A 104 -9.647 7.537 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.694 5.435 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.703 5.445 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.688 4.049 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.864 3.457 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.585 3.688 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.292 3.288 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.382 4.954 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.560 4.901 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.163 6.287 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.650 5.480 -3.063 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.799 6.893 1.323 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.248 7.153 2.697 1.00 0.00 C ATOM 1491 C VAL A 105 -12.728 7.579 2.722 1.00 0.00 C ATOM 1492 O VAL A 105 -13.425 7.318 3.699 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.323 8.200 3.375 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.812 9.645 3.233 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.157 7.882 4.860 1.00 0.00 C ATOM 0 H VAL A 105 -10.145 7.593 0.974 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.177 6.230 3.273 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.370 8.128 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.113 10.316 3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.874 9.906 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.797 9.742 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.506 8.625 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.132 7.902 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.715 6.892 4.973 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.201 8.198 1.627 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.579 8.664 1.432 1.00 0.00 C ATOM 1507 C GLY A 106 -14.765 10.181 1.543 1.00 0.00 C ATOM 1508 O GLY A 106 -15.838 10.685 1.221 1.00 0.00 O ATOM 0 H GLY A 106 -12.607 8.394 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.921 8.341 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.220 8.178 2.168 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.729 10.919 1.959 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.756 12.382 2.114 1.00 0.00 C ATOM 1514 C GLU A 107 -13.887 13.124 0.774 1.00 0.00 C ATOM 1515 O GLU A 107 -14.386 14.251 0.741 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.499 12.842 2.878 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.598 12.621 4.393 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.626 13.555 5.058 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -13.326 14.760 5.257 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.732 13.086 5.409 1.00 0.00 O ATOM 0 H GLU A 107 -12.828 10.509 2.203 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.648 12.636 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.632 12.304 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.330 13.901 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.873 11.585 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.619 12.782 4.845 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.494 12.491 -0.342 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.651 13.005 -1.711 1.00 0.00 C ATOM 1527 C GLY A 108 -14.949 12.596 -2.421 1.00 0.00 C ATOM 1528 O GLY A 108 -15.106 12.902 -3.602 1.00 0.00 O ATOM 0 H GLY A 108 -13.043 11.577 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.600 14.093 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.806 12.663 -2.309 1.00 0.00 H new TER 1532 GLY A 108