USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 590 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 Single : A 2 SER OG : rot 33:sc= 0.0998 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -2.04! USER MOD Single : A 13 MET CE :methyl 164:sc=-0.00803 (180deg=-0.153) USER MOD Single : A 17 ASN : amide:sc= -6.99! C(o=-7!,f=-15!) USER MOD Single : A 18 SER OG : rot -156:sc= 1.58 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= -0.544 (180deg=-2.7!) USER MOD Single : A 27 ASN : amide:sc= -3.92! C(o=-3.9!,f=-8.1!) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= 0.663 (180deg=0.252) USER MOD Single : A 33 THR OG1 : rot 81:sc= 0.118 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -172:sc= -7.77! (180deg=-8.23!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.56 K(o=-1.6,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -4.206 7.728 -2.368 1.00 0.00 N ATOM 2 CA SER A 2 -4.683 8.411 -3.602 1.00 0.00 C ATOM 3 C SER A 2 -3.611 8.314 -4.688 1.00 0.00 C ATOM 4 O SER A 2 -2.692 7.525 -4.599 1.00 0.00 O ATOM 5 CB SER A 2 -4.963 9.882 -3.294 1.00 0.00 C ATOM 6 OG SER A 2 -5.980 9.968 -2.305 1.00 0.00 O ATOM 0 HA SER A 2 -5.597 7.931 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.055 10.371 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.275 10.402 -4.200 1.00 0.00 H new ATOM 0 HG SER A 2 -5.909 9.204 -1.695 1.00 0.00 H new ATOM 12 N ASP A 3 -3.724 9.113 -5.714 1.00 0.00 N ATOM 13 CA ASP A 3 -2.716 9.072 -6.810 1.00 0.00 C ATOM 14 C ASP A 3 -2.983 7.859 -7.701 1.00 0.00 C ATOM 15 O ASP A 3 -3.569 6.883 -7.275 1.00 0.00 O ATOM 16 CB ASP A 3 -1.311 8.966 -6.214 1.00 0.00 C ATOM 17 CG ASP A 3 -1.227 9.820 -4.947 1.00 0.00 C ATOM 18 OD1 ASP A 3 -1.431 11.019 -5.049 1.00 0.00 O ATOM 19 OD2 ASP A 3 -0.960 9.261 -3.896 1.00 0.00 O ATOM 0 H ASP A 3 -4.473 9.794 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.789 9.984 -7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.081 7.926 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.570 9.301 -6.940 1.00 0.00 H new ATOM 24 N LYS A 4 -2.558 7.906 -8.937 1.00 0.00 N ATOM 25 CA LYS A 4 -2.793 6.745 -9.838 1.00 0.00 C ATOM 26 C LYS A 4 -1.465 6.128 -10.325 1.00 0.00 C ATOM 27 O LYS A 4 -1.373 5.729 -11.469 1.00 0.00 O ATOM 28 CB LYS A 4 -3.597 7.215 -11.050 1.00 0.00 C ATOM 29 CG LYS A 4 -4.187 6.003 -11.775 1.00 0.00 C ATOM 30 CD LYS A 4 -3.440 5.784 -13.092 1.00 0.00 C ATOM 31 CE LYS A 4 -4.352 6.154 -14.264 1.00 0.00 C ATOM 32 NZ LYS A 4 -3.822 5.546 -15.517 1.00 0.00 N ATOM 0 H LYS A 4 -2.062 8.693 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.338 5.983 -9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.395 7.885 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.957 7.780 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.107 5.116 -11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.248 6.162 -11.968 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.536 6.392 -13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.126 4.743 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.366 5.800 -14.076 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.407 7.238 -14.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.441 5.797 -16.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.863 5.904 -15.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.792 4.511 -15.415 1.00 0.00 H new ATOM 46 N PRO A 5 -0.479 6.037 -9.455 1.00 0.00 N ATOM 47 CA PRO A 5 0.821 5.441 -9.807 1.00 0.00 C ATOM 48 C PRO A 5 0.726 3.923 -9.909 1.00 0.00 C ATOM 49 O PRO A 5 -0.263 3.323 -9.544 1.00 0.00 O ATOM 50 CB PRO A 5 1.737 5.840 -8.670 1.00 0.00 C ATOM 51 CG PRO A 5 0.822 6.147 -7.481 1.00 0.00 C ATOM 52 CD PRO A 5 -0.552 6.512 -8.061 1.00 0.00 C ATOM 0 HA PRO A 5 1.178 5.785 -10.778 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.434 5.037 -8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.335 6.711 -8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.745 5.284 -6.819 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.222 6.969 -6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.360 6.026 -7.514 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.735 7.585 -8.013 1.00 0.00 H new ATOM 60 N LYS A 6 1.758 3.307 -10.407 1.00 0.00 N ATOM 61 CA LYS A 6 1.757 1.823 -10.547 1.00 0.00 C ATOM 62 C LYS A 6 1.541 1.168 -9.177 1.00 0.00 C ATOM 63 O LYS A 6 2.480 0.854 -8.473 1.00 0.00 O ATOM 64 CB LYS A 6 3.088 1.375 -11.145 1.00 0.00 C ATOM 65 CG LYS A 6 3.344 -0.105 -10.834 1.00 0.00 C ATOM 66 CD LYS A 6 4.387 -0.657 -11.807 1.00 0.00 C ATOM 67 CE LYS A 6 3.704 -1.578 -12.820 1.00 0.00 C ATOM 68 NZ LYS A 6 4.726 -2.143 -13.746 1.00 0.00 N ATOM 0 H LYS A 6 2.609 3.769 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 6 0.945 1.518 -11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.080 1.530 -12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.898 1.983 -10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.693 -0.217 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.416 -0.671 -10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.887 0.162 -12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.155 -1.205 -11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.183 -2.383 -12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.954 -1.023 -13.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.262 -2.769 -14.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.204 -1.369 -14.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.426 -2.686 -13.201 1.00 0.00 H new ATOM 82 N ARG A 7 0.304 0.977 -8.799 1.00 0.00 N ATOM 83 CA ARG A 7 -0.018 0.357 -7.485 1.00 0.00 C ATOM 84 C ARG A 7 1.031 -0.708 -7.106 1.00 0.00 C ATOM 85 O ARG A 7 1.140 -1.735 -7.746 1.00 0.00 O ATOM 86 CB ARG A 7 -1.401 -0.297 -7.556 1.00 0.00 C ATOM 87 CG ARG A 7 -1.384 -1.421 -8.594 1.00 0.00 C ATOM 88 CD ARG A 7 -2.585 -1.269 -9.531 1.00 0.00 C ATOM 89 NE ARG A 7 -3.724 -2.083 -9.019 1.00 0.00 N ATOM 90 CZ ARG A 7 -4.867 -2.076 -9.649 1.00 0.00 C ATOM 91 NH1 ARG A 7 -4.913 -2.354 -10.923 1.00 0.00 N ATOM 92 NH2 ARG A 7 -5.966 -1.789 -9.004 1.00 0.00 N ATOM 0 H ARG A 7 -0.510 1.231 -9.359 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.011 1.137 -6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.677 -0.694 -6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.153 0.446 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.457 -1.388 -9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.418 -2.390 -8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.876 -0.221 -9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.317 -1.592 -10.537 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.610 -2.646 -8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.055 -2.577 -11.428 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.807 -2.348 -11.414 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.931 -1.570 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.859 -1.783 -9.496 1.00 0.00 H new ATOM 106 N PRO A 8 1.767 -0.409 -6.066 1.00 0.00 N ATOM 107 CA PRO A 8 2.829 -1.272 -5.531 1.00 0.00 C ATOM 108 C PRO A 8 2.234 -2.366 -4.639 1.00 0.00 C ATOM 109 O PRO A 8 1.321 -2.130 -3.873 1.00 0.00 O ATOM 110 CB PRO A 8 3.681 -0.298 -4.705 1.00 0.00 C ATOM 111 CG PRO A 8 2.756 0.901 -4.355 1.00 0.00 C ATOM 112 CD PRO A 8 1.600 0.850 -5.340 1.00 0.00 C ATOM 0 HA PRO A 8 3.397 -1.790 -6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.054 -0.778 -3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.551 0.034 -5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.396 0.828 -3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.295 1.845 -4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.641 0.882 -4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.624 1.702 -6.019 1.00 0.00 H new ATOM 120 N LEU A 9 2.746 -3.561 -4.738 1.00 0.00 N ATOM 121 CA LEU A 9 2.217 -4.672 -3.905 1.00 0.00 C ATOM 122 C LEU A 9 3.336 -5.664 -3.586 1.00 0.00 C ATOM 123 O LEU A 9 4.406 -5.622 -4.160 1.00 0.00 O ATOM 124 CB LEU A 9 1.080 -5.359 -4.654 1.00 0.00 C ATOM 125 CG LEU A 9 1.466 -5.546 -6.113 1.00 0.00 C ATOM 126 CD1 LEU A 9 2.661 -6.481 -6.181 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.290 -6.160 -6.872 1.00 0.00 C ATOM 0 H LEU A 9 3.511 -3.815 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 9 1.835 -4.279 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.863 -6.325 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.171 -4.762 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 9 1.720 -4.586 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.951 -6.626 -7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.495 -6.047 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.396 -7.442 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.563 -6.295 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.039 -7.126 -6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.572 -5.497 -6.805 1.00 0.00 H new ATOM 139 N SER A 10 3.091 -6.547 -2.662 1.00 0.00 N ATOM 140 CA SER A 10 4.129 -7.548 -2.273 1.00 0.00 C ATOM 141 C SER A 10 4.490 -8.441 -3.466 1.00 0.00 C ATOM 142 O SER A 10 3.720 -8.614 -4.392 1.00 0.00 O ATOM 143 CB SER A 10 3.594 -8.417 -1.135 1.00 0.00 C ATOM 144 OG SER A 10 4.064 -7.905 0.105 1.00 0.00 O ATOM 0 H SER A 10 2.210 -6.622 -2.153 1.00 0.00 H new ATOM 0 HA SER A 10 5.024 -7.017 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.504 -8.425 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.922 -9.448 -1.264 1.00 0.00 H new ATOM 0 HG SER A 10 3.722 -8.458 0.838 1.00 0.00 H new ATOM 150 N ALA A 11 5.662 -9.013 -3.441 1.00 0.00 N ATOM 151 CA ALA A 11 6.095 -9.900 -4.559 1.00 0.00 C ATOM 152 C ALA A 11 5.074 -11.024 -4.752 1.00 0.00 C ATOM 153 O ALA A 11 4.572 -11.246 -5.839 1.00 0.00 O ATOM 154 CB ALA A 11 7.459 -10.504 -4.223 1.00 0.00 C ATOM 0 H ALA A 11 6.343 -8.904 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 11 6.166 -9.318 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.780 -11.153 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.188 -9.705 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.383 -11.085 -3.304 1.00 0.00 H new ATOM 160 N TYR A 12 4.759 -11.735 -3.704 1.00 0.00 N ATOM 161 CA TYR A 12 3.774 -12.837 -3.818 1.00 0.00 C ATOM 162 C TYR A 12 2.539 -12.324 -4.561 1.00 0.00 C ATOM 163 O TYR A 12 1.827 -13.073 -5.201 1.00 0.00 O ATOM 164 CB TYR A 12 3.397 -13.282 -2.409 1.00 0.00 C ATOM 165 CG TYR A 12 2.136 -14.109 -2.450 1.00 0.00 C ATOM 166 CD1 TYR A 12 1.980 -15.091 -3.434 1.00 0.00 C ATOM 167 CD2 TYR A 12 1.128 -13.896 -1.504 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.813 -15.861 -3.474 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.041 -14.666 -1.544 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.198 -15.649 -2.529 1.00 0.00 C ATOM 171 OH TYR A 12 -1.349 -16.409 -2.569 1.00 0.00 O ATOM 0 H TYR A 12 5.146 -11.596 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 12 4.192 -13.679 -4.370 1.00 0.00 H new ATOM 0 HB2 TYR A 12 4.209 -13.863 -1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.250 -12.411 -1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.760 -15.255 -4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.251 -13.139 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.692 -16.619 -4.234 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.821 -14.502 -0.815 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.947 -16.135 -1.843 1.00 0.00 H new ATOM 181 N MET A 13 2.283 -11.048 -4.480 1.00 0.00 N ATOM 182 CA MET A 13 1.102 -10.476 -5.172 1.00 0.00 C ATOM 183 C MET A 13 1.370 -10.395 -6.677 1.00 0.00 C ATOM 184 O MET A 13 0.528 -10.747 -7.477 1.00 0.00 O ATOM 185 CB MET A 13 0.829 -9.075 -4.628 1.00 0.00 C ATOM 186 CG MET A 13 1.084 -9.049 -3.120 1.00 0.00 C ATOM 187 SD MET A 13 -0.416 -8.500 -2.266 1.00 0.00 S ATOM 188 CE MET A 13 -1.398 -9.992 -2.558 1.00 0.00 C ATOM 0 H MET A 13 2.847 -10.375 -3.960 1.00 0.00 H new ATOM 0 HA MET A 13 0.236 -11.115 -4.997 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.470 -8.349 -5.128 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.201 -8.787 -4.837 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.372 -10.041 -2.772 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.912 -8.378 -2.892 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.256 -10.000 -1.886 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.746 -10.002 -3.591 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.784 -10.874 -2.373 1.00 0.00 H new ATOM 198 N LEU A 14 2.528 -9.937 -7.079 1.00 0.00 N ATOM 199 CA LEU A 14 2.802 -9.849 -8.545 1.00 0.00 C ATOM 200 C LEU A 14 2.536 -11.210 -9.179 1.00 0.00 C ATOM 201 O LEU A 14 1.976 -11.308 -10.253 1.00 0.00 O ATOM 202 CB LEU A 14 4.259 -9.448 -8.810 1.00 0.00 C ATOM 203 CG LEU A 14 4.588 -8.164 -8.037 1.00 0.00 C ATOM 204 CD1 LEU A 14 6.106 -7.982 -7.934 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.988 -6.970 -8.781 1.00 0.00 C ATOM 0 H LEU A 14 3.283 -9.625 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 14 2.151 -9.089 -8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.929 -10.251 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.416 -9.292 -9.877 1.00 0.00 H new ATOM 0 HG LEU A 14 4.170 -8.232 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.326 -7.067 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.540 -8.834 -7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.533 -7.915 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.216 -6.052 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.413 -6.915 -9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.907 -7.091 -8.851 1.00 0.00 H new ATOM 217 N TRP A 15 2.928 -12.262 -8.520 1.00 0.00 N ATOM 218 CA TRP A 15 2.692 -13.618 -9.082 1.00 0.00 C ATOM 219 C TRP A 15 1.189 -13.903 -9.092 1.00 0.00 C ATOM 220 O TRP A 15 0.665 -14.499 -10.012 1.00 0.00 O ATOM 221 CB TRP A 15 3.411 -14.655 -8.217 1.00 0.00 C ATOM 222 CG TRP A 15 3.039 -16.030 -8.666 1.00 0.00 C ATOM 223 CD1 TRP A 15 3.672 -16.730 -9.634 1.00 0.00 C ATOM 224 CD2 TRP A 15 1.965 -16.884 -8.180 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.057 -17.960 -9.770 1.00 0.00 N ATOM 226 CE2 TRP A 15 1.999 -18.103 -8.896 1.00 0.00 C ATOM 227 CE3 TRP A 15 0.975 -16.720 -7.194 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.083 -19.124 -8.644 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.051 -17.745 -6.938 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.105 -18.946 -7.661 1.00 0.00 C ATOM 0 H TRP A 15 3.401 -12.241 -7.617 1.00 0.00 H new ATOM 0 HA TRP A 15 3.077 -13.670 -10.101 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.490 -14.518 -8.289 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.142 -14.519 -7.170 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.520 -16.384 -10.207 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.350 -18.675 -10.436 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.926 -15.800 -6.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.129 -20.046 -9.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.706 -17.608 -6.180 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.608 -19.732 -7.459 1.00 0.00 H new ATOM 241 N LEU A 16 0.489 -13.480 -8.073 1.00 0.00 N ATOM 242 CA LEU A 16 -0.979 -13.726 -8.023 1.00 0.00 C ATOM 243 C LEU A 16 -1.659 -13.082 -9.236 1.00 0.00 C ATOM 244 O LEU A 16 -2.544 -13.662 -9.834 1.00 0.00 O ATOM 245 CB LEU A 16 -1.549 -13.130 -6.734 1.00 0.00 C ATOM 246 CG LEU A 16 -1.000 -13.901 -5.533 1.00 0.00 C ATOM 247 CD1 LEU A 16 -0.958 -12.986 -4.310 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.905 -15.100 -5.242 1.00 0.00 C ATOM 0 H LEU A 16 0.872 -12.975 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.166 -14.800 -8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.281 -12.076 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.638 -13.181 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 16 0.008 -14.250 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.566 -13.538 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.313 -12.132 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.965 -12.634 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.515 -15.651 -4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.913 -14.750 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.933 -15.755 -6.113 1.00 0.00 H new ATOM 260 N ASN A 17 -1.263 -11.892 -9.609 1.00 0.00 N ATOM 261 CA ASN A 17 -1.909 -11.242 -10.784 1.00 0.00 C ATOM 262 C ASN A 17 -1.363 -11.857 -12.072 1.00 0.00 C ATOM 263 O ASN A 17 -2.014 -11.848 -13.099 1.00 0.00 O ATOM 264 CB ASN A 17 -1.645 -9.738 -10.758 1.00 0.00 C ATOM 265 CG ASN A 17 -0.160 -9.449 -10.993 1.00 0.00 C ATOM 266 OD1 ASN A 17 0.479 -10.092 -11.801 1.00 0.00 O ATOM 267 ND2 ASN A 17 0.420 -8.492 -10.316 1.00 0.00 N ATOM 0 H ASN A 17 -0.528 -11.349 -9.155 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.986 -11.405 -10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.243 -9.245 -11.524 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.954 -9.325 -9.798 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.408 -8.287 -10.467 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.115 -7.951 -9.637 1.00 0.00 H new ATOM 274 N SER A 18 -0.185 -12.414 -12.023 1.00 0.00 N ATOM 275 CA SER A 18 0.385 -13.050 -13.240 1.00 0.00 C ATOM 276 C SER A 18 -0.024 -14.524 -13.266 1.00 0.00 C ATOM 277 O SER A 18 0.231 -15.235 -14.218 1.00 0.00 O ATOM 278 CB SER A 18 1.905 -12.930 -13.222 1.00 0.00 C ATOM 279 OG SER A 18 2.477 -14.176 -12.845 1.00 0.00 O ATOM 0 H SER A 18 0.406 -12.456 -11.193 1.00 0.00 H new ATOM 0 HA SER A 18 0.006 -12.549 -14.131 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.268 -12.634 -14.206 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.210 -12.152 -12.523 1.00 0.00 H new ATOM 0 HG SER A 18 3.371 -14.026 -12.474 1.00 0.00 H new ATOM 285 N ALA A 19 -0.665 -14.987 -12.225 1.00 0.00 N ATOM 286 CA ALA A 19 -1.100 -16.408 -12.184 1.00 0.00 C ATOM 287 C ALA A 19 -2.622 -16.476 -12.315 1.00 0.00 C ATOM 288 O ALA A 19 -3.205 -17.537 -12.258 1.00 0.00 O ATOM 289 CB ALA A 19 -0.684 -17.037 -10.853 1.00 0.00 C ATOM 0 H ALA A 19 -0.905 -14.437 -11.400 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.632 -16.951 -13.005 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.005 -18.078 -10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.400 -16.988 -10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.151 -16.493 -10.032 1.00 0.00 H new ATOM 295 N ARG A 20 -3.273 -15.356 -12.481 1.00 0.00 N ATOM 296 CA ARG A 20 -4.759 -15.377 -12.606 1.00 0.00 C ATOM 297 C ARG A 20 -5.167 -16.296 -13.757 1.00 0.00 C ATOM 298 O ARG A 20 -6.226 -16.892 -13.738 1.00 0.00 O ATOM 299 CB ARG A 20 -5.275 -13.961 -12.878 1.00 0.00 C ATOM 300 CG ARG A 20 -6.168 -13.508 -11.721 1.00 0.00 C ATOM 301 CD ARG A 20 -6.854 -12.190 -12.092 1.00 0.00 C ATOM 302 NE ARG A 20 -8.296 -12.258 -11.722 1.00 0.00 N ATOM 303 CZ ARG A 20 -8.642 -12.485 -10.485 1.00 0.00 C ATOM 304 NH1 ARG A 20 -8.606 -11.517 -9.609 1.00 0.00 N ATOM 305 NH2 ARG A 20 -9.024 -13.679 -10.123 1.00 0.00 N ATOM 0 H ARG A 20 -2.843 -14.433 -12.535 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.190 -15.748 -11.676 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.437 -13.274 -12.994 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.836 -13.941 -13.813 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.916 -14.271 -11.504 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.573 -13.379 -10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.374 -11.360 -11.574 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.750 -12.002 -13.161 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.012 -12.127 -12.436 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.307 -10.584 -9.892 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.877 -11.694 -8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.052 -14.435 -10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.295 -13.857 -9.156 1.00 0.00 H new ATOM 319 N GLU A 21 -4.344 -16.422 -14.759 1.00 0.00 N ATOM 320 CA GLU A 21 -4.703 -17.309 -15.897 1.00 0.00 C ATOM 321 C GLU A 21 -4.435 -18.760 -15.506 1.00 0.00 C ATOM 322 O GLU A 21 -5.293 -19.613 -15.613 1.00 0.00 O ATOM 323 CB GLU A 21 -3.867 -16.941 -17.124 1.00 0.00 C ATOM 324 CG GLU A 21 -4.646 -17.292 -18.394 1.00 0.00 C ATOM 325 CD GLU A 21 -4.452 -16.189 -19.435 1.00 0.00 C ATOM 326 OE1 GLU A 21 -3.487 -15.450 -19.315 1.00 0.00 O ATOM 327 OE2 GLU A 21 -5.269 -16.102 -20.336 1.00 0.00 O ATOM 0 H GLU A 21 -3.443 -15.951 -14.839 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.759 -17.185 -16.137 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.631 -15.877 -17.111 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.919 -17.478 -17.106 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.302 -18.246 -18.792 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.705 -17.406 -18.163 1.00 0.00 H new ATOM 334 N SER A 22 -3.252 -19.045 -15.045 1.00 0.00 N ATOM 335 CA SER A 22 -2.930 -20.440 -14.636 1.00 0.00 C ATOM 336 C SER A 22 -3.682 -20.778 -13.349 1.00 0.00 C ATOM 337 O SER A 22 -3.654 -21.897 -12.877 1.00 0.00 O ATOM 338 CB SER A 22 -1.425 -20.572 -14.397 1.00 0.00 C ATOM 339 OG SER A 22 -0.965 -19.441 -13.668 1.00 0.00 O ATOM 0 H SER A 22 -2.493 -18.373 -14.933 1.00 0.00 H new ATOM 0 HA SER A 22 -3.231 -21.128 -15.426 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.212 -21.487 -13.844 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.899 -20.644 -15.349 1.00 0.00 H new ATOM 0 HG SER A 22 -0.001 -19.523 -13.511 1.00 0.00 H new ATOM 345 N ILE A 23 -4.365 -19.821 -12.780 1.00 0.00 N ATOM 346 CA ILE A 23 -5.124 -20.092 -11.533 1.00 0.00 C ATOM 347 C ILE A 23 -6.560 -20.440 -11.908 1.00 0.00 C ATOM 348 O ILE A 23 -7.128 -21.397 -11.420 1.00 0.00 O ATOM 349 CB ILE A 23 -5.098 -18.842 -10.643 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.805 -18.841 -9.822 1.00 0.00 C ATOM 351 CG2 ILE A 23 -6.303 -18.834 -9.693 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.551 -17.441 -9.263 1.00 0.00 C ATOM 0 H ILE A 23 -4.428 -18.864 -13.128 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.677 -20.922 -10.986 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.144 -17.955 -11.274 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.880 -19.561 -9.007 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.967 -19.152 -10.445 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.269 -17.941 -9.069 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.225 -18.835 -10.275 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.273 -19.720 -9.059 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.630 -17.444 -8.679 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.457 -16.732 -10.086 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.384 -17.147 -8.625 1.00 0.00 H new ATOM 364 N LYS A 24 -7.156 -19.662 -12.764 1.00 0.00 N ATOM 365 CA LYS A 24 -8.550 -19.936 -13.161 1.00 0.00 C ATOM 366 C LYS A 24 -8.596 -21.186 -14.046 1.00 0.00 C ATOM 367 O LYS A 24 -9.630 -21.806 -14.206 1.00 0.00 O ATOM 368 CB LYS A 24 -9.069 -18.732 -13.936 1.00 0.00 C ATOM 369 CG LYS A 24 -9.535 -17.660 -12.954 1.00 0.00 C ATOM 370 CD LYS A 24 -10.924 -18.020 -12.425 1.00 0.00 C ATOM 371 CE LYS A 24 -10.798 -18.616 -11.022 1.00 0.00 C ATOM 372 NZ LYS A 24 -11.543 -19.905 -10.961 1.00 0.00 N ATOM 0 H LYS A 24 -6.731 -18.846 -13.204 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.169 -20.109 -12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.285 -18.335 -14.580 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.893 -19.030 -14.584 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.830 -17.578 -12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.563 -16.688 -13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.556 -17.132 -12.399 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.405 -18.734 -13.093 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.748 -18.778 -10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.194 -17.920 -10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.911 -20.048 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.335 -19.880 -11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.904 -20.687 -11.207 1.00 0.00 H new ATOM 386 N ARG A 25 -7.485 -21.560 -14.628 1.00 0.00 N ATOM 387 CA ARG A 25 -7.472 -22.765 -15.505 1.00 0.00 C ATOM 388 C ARG A 25 -7.194 -24.014 -14.665 1.00 0.00 C ATOM 389 O ARG A 25 -8.089 -24.774 -14.349 1.00 0.00 O ATOM 390 CB ARG A 25 -6.381 -22.614 -16.568 1.00 0.00 C ATOM 391 CG ARG A 25 -6.728 -21.447 -17.498 1.00 0.00 C ATOM 392 CD ARG A 25 -5.783 -21.437 -18.693 1.00 0.00 C ATOM 393 NE ARG A 25 -5.341 -22.827 -19.002 1.00 0.00 N ATOM 394 CZ ARG A 25 -5.954 -23.516 -19.926 1.00 0.00 C ATOM 395 NH1 ARG A 25 -5.959 -23.094 -21.160 1.00 0.00 N ATOM 396 NH2 ARG A 25 -6.563 -24.627 -19.615 1.00 0.00 N ATOM 0 H ARG A 25 -6.589 -21.083 -14.533 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.443 -22.865 -15.990 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.417 -22.438 -16.091 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.289 -23.536 -17.143 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.759 -21.537 -17.840 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.653 -20.504 -16.956 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.283 -21.004 -19.559 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.918 -20.810 -18.478 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.560 -23.239 -18.492 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.484 -22.225 -21.404 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.438 -23.633 -21.881 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.560 -24.957 -18.650 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.042 -25.165 -20.337 1.00 0.00 H new ATOM 410 N GLU A 26 -5.957 -24.236 -14.306 1.00 0.00 N ATOM 411 CA GLU A 26 -5.618 -25.438 -13.493 1.00 0.00 C ATOM 412 C GLU A 26 -6.665 -25.634 -12.394 1.00 0.00 C ATOM 413 O GLU A 26 -6.898 -26.736 -11.939 1.00 0.00 O ATOM 414 CB GLU A 26 -4.240 -25.246 -12.855 1.00 0.00 C ATOM 415 CG GLU A 26 -3.185 -25.095 -13.953 1.00 0.00 C ATOM 416 CD GLU A 26 -2.406 -26.403 -14.097 1.00 0.00 C ATOM 417 OE1 GLU A 26 -3.023 -27.451 -14.003 1.00 0.00 O ATOM 418 OE2 GLU A 26 -1.205 -26.334 -14.299 1.00 0.00 O ATOM 0 H GLU A 26 -5.167 -23.635 -14.542 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.606 -26.317 -14.137 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.243 -24.363 -12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.000 -26.099 -12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.663 -24.838 -14.898 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.505 -24.279 -13.708 1.00 0.00 H new ATOM 425 N ASN A 27 -7.294 -24.577 -11.959 1.00 0.00 N ATOM 426 CA ASN A 27 -8.318 -24.710 -10.886 1.00 0.00 C ATOM 427 C ASN A 27 -9.696 -24.953 -11.507 1.00 0.00 C ATOM 428 O ASN A 27 -9.999 -24.443 -12.566 1.00 0.00 O ATOM 429 CB ASN A 27 -8.354 -23.426 -10.055 1.00 0.00 C ATOM 430 CG ASN A 27 -6.954 -23.130 -9.514 1.00 0.00 C ATOM 431 OD1 ASN A 27 -5.994 -23.770 -9.897 1.00 0.00 O ATOM 432 ND2 ASN A 27 -6.795 -22.181 -8.632 1.00 0.00 N ATOM 0 H ASN A 27 -7.143 -23.628 -12.300 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.059 -25.554 -10.247 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.703 -22.594 -10.667 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.059 -23.533 -9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.866 -21.977 -8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.600 -21.644 -8.310 1.00 0.00 H new ATOM 439 N PRO A 28 -10.492 -25.729 -10.813 1.00 0.00 N ATOM 440 CA PRO A 28 -11.854 -26.070 -11.248 1.00 0.00 C ATOM 441 C PRO A 28 -12.815 -24.916 -10.974 1.00 0.00 C ATOM 442 O PRO A 28 -13.627 -24.985 -10.072 1.00 0.00 O ATOM 443 CB PRO A 28 -12.218 -27.276 -10.399 1.00 0.00 C ATOM 444 CG PRO A 28 -11.306 -27.226 -9.168 1.00 0.00 C ATOM 445 CD PRO A 28 -10.107 -26.337 -9.530 1.00 0.00 C ATOM 0 HA PRO A 28 -11.913 -26.271 -12.318 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.268 -27.243 -10.107 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.070 -28.202 -10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.841 -26.821 -8.309 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.974 -28.227 -8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.926 -25.580 -8.767 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.191 -26.920 -9.623 1.00 0.00 H new ATOM 453 N GLY A 29 -12.731 -23.854 -11.730 1.00 0.00 N ATOM 454 CA GLY A 29 -13.642 -22.702 -11.482 1.00 0.00 C ATOM 455 C GLY A 29 -13.681 -22.444 -9.978 1.00 0.00 C ATOM 456 O GLY A 29 -14.666 -21.984 -9.435 1.00 0.00 O ATOM 0 H GLY A 29 -12.076 -23.736 -12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.289 -21.817 -12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.642 -22.920 -11.857 1.00 0.00 H new ATOM 460 N ILE A 30 -12.605 -22.763 -9.306 1.00 0.00 N ATOM 461 CA ILE A 30 -12.534 -22.577 -7.837 1.00 0.00 C ATOM 462 C ILE A 30 -13.272 -21.302 -7.420 1.00 0.00 C ATOM 463 O ILE A 30 -13.376 -20.357 -8.176 1.00 0.00 O ATOM 464 CB ILE A 30 -11.071 -22.481 -7.442 1.00 0.00 C ATOM 465 CG1 ILE A 30 -10.947 -22.317 -5.926 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.477 -21.278 -8.142 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.482 -22.480 -5.514 1.00 0.00 C ATOM 0 H ILE A 30 -11.761 -23.151 -9.727 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.009 -23.420 -7.335 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.541 -23.388 -7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.314 -21.336 -5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.564 -23.058 -5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.424 -21.185 -7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.568 -21.403 -9.221 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.010 -20.378 -7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.393 -22.363 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.131 -23.471 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.877 -21.722 -6.012 1.00 0.00 H new ATOM 479 N LYS A 31 -13.786 -21.274 -6.222 1.00 0.00 N ATOM 480 CA LYS A 31 -14.522 -20.067 -5.751 1.00 0.00 C ATOM 481 C LYS A 31 -13.526 -18.966 -5.384 1.00 0.00 C ATOM 482 O LYS A 31 -12.326 -19.163 -5.416 1.00 0.00 O ATOM 483 CB LYS A 31 -15.357 -20.428 -4.524 1.00 0.00 C ATOM 484 CG LYS A 31 -16.815 -20.629 -4.939 1.00 0.00 C ATOM 485 CD LYS A 31 -16.898 -21.727 -6.002 1.00 0.00 C ATOM 486 CE LYS A 31 -17.394 -21.128 -7.320 1.00 0.00 C ATOM 487 NZ LYS A 31 -17.433 -22.190 -8.364 1.00 0.00 N ATOM 0 H LYS A 31 -13.728 -22.037 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.176 -19.710 -6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.971 -21.337 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.286 -19.637 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.416 -20.902 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.224 -19.698 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.919 -22.184 -6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.574 -22.516 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.387 -20.698 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.736 -20.318 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.165 -21.960 -9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.508 -22.248 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.653 -23.105 -7.921 1.00 0.00 H new ATOM 501 N VAL A 32 -14.012 -17.807 -5.038 1.00 0.00 N ATOM 502 CA VAL A 32 -13.110 -16.693 -4.671 1.00 0.00 C ATOM 503 C VAL A 32 -12.587 -16.904 -3.245 1.00 0.00 C ATOM 504 O VAL A 32 -11.576 -16.352 -2.859 1.00 0.00 O ATOM 505 CB VAL A 32 -13.880 -15.376 -4.776 1.00 0.00 C ATOM 506 CG1 VAL A 32 -15.307 -15.593 -4.315 1.00 0.00 C ATOM 507 CG2 VAL A 32 -13.234 -14.324 -3.893 1.00 0.00 C ATOM 0 H VAL A 32 -15.007 -17.587 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.257 -16.661 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.866 -15.038 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.859 -14.656 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.782 -16.345 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -15.307 -15.934 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.789 -13.390 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.244 -14.663 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.204 -14.163 -4.213 1.00 0.00 H new ATOM 517 N THR A 33 -13.266 -17.692 -2.458 1.00 0.00 N ATOM 518 CA THR A 33 -12.801 -17.927 -1.061 1.00 0.00 C ATOM 519 C THR A 33 -11.720 -19.009 -1.051 1.00 0.00 C ATOM 520 O THR A 33 -11.187 -19.355 -0.016 1.00 0.00 O ATOM 521 CB THR A 33 -13.982 -18.381 -0.196 1.00 0.00 C ATOM 522 OG1 THR A 33 -15.148 -18.480 -1.002 1.00 0.00 O ATOM 523 CG2 THR A 33 -14.214 -17.366 0.925 1.00 0.00 C ATOM 0 H THR A 33 -14.121 -18.183 -2.720 1.00 0.00 H new ATOM 0 HA THR A 33 -12.390 -17.001 -0.660 1.00 0.00 H new ATOM 0 HB THR A 33 -13.761 -19.355 0.241 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.139 -19.331 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.054 -17.689 1.540 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.318 -17.295 1.542 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.435 -16.390 0.492 1.00 0.00 H new ATOM 531 N GLU A 34 -11.391 -19.548 -2.193 1.00 0.00 N ATOM 532 CA GLU A 34 -10.347 -20.610 -2.238 1.00 0.00 C ATOM 533 C GLU A 34 -9.307 -20.272 -3.311 1.00 0.00 C ATOM 534 O GLU A 34 -8.325 -20.970 -3.477 1.00 0.00 O ATOM 535 CB GLU A 34 -11.003 -21.950 -2.572 1.00 0.00 C ATOM 536 CG GLU A 34 -11.913 -22.376 -1.418 1.00 0.00 C ATOM 537 CD GLU A 34 -13.138 -23.102 -1.976 1.00 0.00 C ATOM 538 OE1 GLU A 34 -13.046 -24.299 -2.193 1.00 0.00 O ATOM 539 OE2 GLU A 34 -14.148 -22.449 -2.180 1.00 0.00 O ATOM 0 H GLU A 34 -11.799 -19.300 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.855 -20.672 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.581 -21.864 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.239 -22.708 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.370 -23.029 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.224 -21.503 -0.845 1.00 0.00 H new ATOM 546 N VAL A 35 -9.511 -19.212 -4.042 1.00 0.00 N ATOM 547 CA VAL A 35 -8.536 -18.838 -5.102 1.00 0.00 C ATOM 548 C VAL A 35 -7.241 -18.340 -4.459 1.00 0.00 C ATOM 549 O VAL A 35 -6.193 -18.939 -4.596 1.00 0.00 O ATOM 550 CB VAL A 35 -9.136 -17.734 -5.971 1.00 0.00 C ATOM 551 CG1 VAL A 35 -8.038 -17.082 -6.817 1.00 0.00 C ATOM 552 CG2 VAL A 35 -10.198 -18.332 -6.895 1.00 0.00 C ATOM 0 H VAL A 35 -10.313 -18.588 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.316 -19.709 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.591 -16.981 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.473 -16.296 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.281 -16.652 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.578 -17.834 -7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.626 -17.544 -7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.741 -19.088 -7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.985 -18.790 -6.296 1.00 0.00 H new ATOM 562 N ALA A 36 -7.309 -17.240 -3.768 1.00 0.00 N ATOM 563 CA ALA A 36 -6.087 -16.685 -3.118 1.00 0.00 C ATOM 564 C ALA A 36 -5.441 -17.749 -2.227 1.00 0.00 C ATOM 565 O ALA A 36 -4.237 -17.786 -2.066 1.00 0.00 O ATOM 566 CB ALA A 36 -6.474 -15.474 -2.266 1.00 0.00 C ATOM 0 H ALA A 36 -8.160 -16.697 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.376 -16.383 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.583 -15.065 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.928 -14.713 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.187 -15.780 -1.501 1.00 0.00 H new ATOM 572 N LYS A 37 -6.227 -18.612 -1.643 1.00 0.00 N ATOM 573 CA LYS A 37 -5.648 -19.665 -0.764 1.00 0.00 C ATOM 574 C LYS A 37 -4.841 -20.650 -1.618 1.00 0.00 C ATOM 575 O LYS A 37 -3.813 -21.149 -1.208 1.00 0.00 O ATOM 576 CB LYS A 37 -6.790 -20.372 -0.011 1.00 0.00 C ATOM 577 CG LYS A 37 -6.802 -21.885 -0.282 1.00 0.00 C ATOM 578 CD LYS A 37 -7.667 -22.586 0.766 1.00 0.00 C ATOM 579 CE LYS A 37 -6.804 -22.953 1.976 1.00 0.00 C ATOM 580 NZ LYS A 37 -7.429 -24.094 2.705 1.00 0.00 N ATOM 0 H LYS A 37 -7.242 -18.633 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.974 -19.225 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.684 -20.195 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.745 -19.941 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.191 -22.083 -1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.786 -22.278 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.485 -21.934 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.117 -23.483 0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.799 -23.222 1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.705 -22.094 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.843 -24.344 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.379 -23.821 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.501 -24.914 2.070 1.00 0.00 H new ATOM 594 N ARG A 38 -5.309 -20.935 -2.800 1.00 0.00 N ATOM 595 CA ARG A 38 -4.583 -21.887 -3.681 1.00 0.00 C ATOM 596 C ARG A 38 -3.387 -21.184 -4.326 1.00 0.00 C ATOM 597 O ARG A 38 -2.434 -21.813 -4.734 1.00 0.00 O ATOM 598 CB ARG A 38 -5.531 -22.384 -4.771 1.00 0.00 C ATOM 599 CG ARG A 38 -5.762 -23.887 -4.600 1.00 0.00 C ATOM 600 CD ARG A 38 -6.839 -24.120 -3.541 1.00 0.00 C ATOM 601 NE ARG A 38 -7.418 -25.483 -3.713 1.00 0.00 N ATOM 602 CZ ARG A 38 -7.240 -26.390 -2.791 1.00 0.00 C ATOM 603 NH1 ARG A 38 -7.942 -26.350 -1.692 1.00 0.00 N ATOM 604 NH2 ARG A 38 -6.359 -27.337 -2.969 1.00 0.00 N ATOM 0 H ARG A 38 -6.166 -20.548 -3.194 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.227 -22.731 -3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.480 -21.851 -4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.110 -22.180 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.068 -24.329 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.834 -24.377 -4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.411 -24.018 -2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.622 -23.367 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.954 -25.707 -4.552 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.630 -25.610 -1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.803 -27.059 -0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.810 -27.368 -3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.220 -28.046 -2.249 1.00 0.00 H new ATOM 618 N GLY A 39 -3.426 -19.884 -4.423 1.00 0.00 N ATOM 619 CA GLY A 39 -2.286 -19.154 -5.047 1.00 0.00 C ATOM 620 C GLY A 39 -1.079 -19.192 -4.107 1.00 0.00 C ATOM 621 O GLY A 39 0.044 -18.964 -4.514 1.00 0.00 O ATOM 0 H GLY A 39 -4.195 -19.297 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.029 -19.609 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.569 -18.121 -5.250 1.00 0.00 H new ATOM 625 N GLY A 40 -1.299 -19.479 -2.854 1.00 0.00 N ATOM 626 CA GLY A 40 -0.163 -19.530 -1.891 1.00 0.00 C ATOM 627 C GLY A 40 0.539 -20.885 -1.994 1.00 0.00 C ATOM 628 O GLY A 40 1.605 -21.084 -1.445 1.00 0.00 O ATOM 0 H GLY A 40 -2.216 -19.680 -2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.543 -18.727 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.527 -19.374 -0.875 1.00 0.00 H new ATOM 632 N GLU A 41 -0.047 -21.822 -2.691 1.00 0.00 N ATOM 633 CA GLU A 41 0.595 -23.158 -2.822 1.00 0.00 C ATOM 634 C GLU A 41 1.583 -23.143 -3.994 1.00 0.00 C ATOM 635 O GLU A 41 2.642 -23.733 -3.932 1.00 0.00 O ATOM 636 CB GLU A 41 -0.481 -24.229 -3.045 1.00 0.00 C ATOM 637 CG GLU A 41 -0.812 -24.360 -4.538 1.00 0.00 C ATOM 638 CD GLU A 41 -1.939 -25.377 -4.726 1.00 0.00 C ATOM 639 OE1 GLU A 41 -2.469 -25.838 -3.728 1.00 0.00 O ATOM 640 OE2 GLU A 41 -2.253 -25.680 -5.866 1.00 0.00 O ATOM 0 H GLU A 41 -0.940 -21.719 -3.173 1.00 0.00 H new ATOM 0 HA GLU A 41 1.139 -23.392 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.134 -25.187 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.382 -23.969 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.111 -23.392 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.073 -24.676 -5.091 1.00 0.00 H new ATOM 647 N LEU A 42 1.238 -22.475 -5.062 1.00 0.00 N ATOM 648 CA LEU A 42 2.148 -22.422 -6.237 1.00 0.00 C ATOM 649 C LEU A 42 3.187 -21.320 -6.032 1.00 0.00 C ATOM 650 O LEU A 42 4.296 -21.400 -6.520 1.00 0.00 O ATOM 651 CB LEU A 42 1.328 -22.121 -7.492 1.00 0.00 C ATOM 652 CG LEU A 42 0.733 -23.420 -8.039 1.00 0.00 C ATOM 653 CD1 LEU A 42 -0.104 -23.114 -9.282 1.00 0.00 C ATOM 654 CD2 LEU A 42 1.862 -24.382 -8.409 1.00 0.00 C ATOM 0 H LEU A 42 0.362 -21.963 -5.169 1.00 0.00 H new ATOM 0 HA LEU A 42 2.656 -23.380 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.532 -21.415 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.959 -21.652 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 42 0.100 -23.878 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.528 -24.039 -9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.909 -22.428 -9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.528 -22.656 -10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.438 -25.308 -8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.495 -23.925 -9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.459 -24.601 -7.523 1.00 0.00 H new ATOM 666 N TRP A 43 2.834 -20.286 -5.319 1.00 0.00 N ATOM 667 CA TRP A 43 3.796 -19.173 -5.084 1.00 0.00 C ATOM 668 C TRP A 43 5.044 -19.704 -4.367 1.00 0.00 C ATOM 669 O TRP A 43 6.148 -19.591 -4.858 1.00 0.00 O ATOM 670 CB TRP A 43 3.117 -18.101 -4.219 1.00 0.00 C ATOM 671 CG TRP A 43 4.151 -17.215 -3.601 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.560 -17.281 -2.315 1.00 0.00 C ATOM 673 CD2 TRP A 43 4.914 -16.144 -4.220 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.528 -16.316 -2.104 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.780 -15.588 -3.250 1.00 0.00 C ATOM 676 CE3 TRP A 43 4.937 -15.606 -5.517 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.639 -14.533 -3.557 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.799 -14.544 -5.831 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.649 -14.008 -4.853 1.00 0.00 C ATOM 0 H TRP A 43 1.918 -20.164 -4.888 1.00 0.00 H new ATOM 0 HA TRP A 43 4.096 -18.741 -6.039 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.435 -17.508 -4.828 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.519 -18.575 -3.440 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.191 -17.974 -1.573 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.998 -16.161 -1.212 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.287 -16.012 -6.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.292 -14.125 -2.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.808 -14.137 -6.831 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.310 -13.191 -5.100 1.00 0.00 H new ATOM 690 N ARG A 44 4.877 -20.263 -3.203 1.00 0.00 N ATOM 691 CA ARG A 44 6.053 -20.782 -2.451 1.00 0.00 C ATOM 692 C ARG A 44 6.503 -22.121 -3.043 1.00 0.00 C ATOM 693 O ARG A 44 7.516 -22.669 -2.656 1.00 0.00 O ATOM 694 CB ARG A 44 5.662 -20.977 -0.982 1.00 0.00 C ATOM 695 CG ARG A 44 6.842 -21.566 -0.205 1.00 0.00 C ATOM 696 CD ARG A 44 8.039 -20.618 -0.291 1.00 0.00 C ATOM 697 NE ARG A 44 9.058 -21.012 0.724 1.00 0.00 N ATOM 698 CZ ARG A 44 9.826 -22.049 0.517 1.00 0.00 C ATOM 699 NH1 ARG A 44 9.752 -22.708 -0.608 1.00 0.00 N ATOM 700 NH2 ARG A 44 10.671 -22.426 1.436 1.00 0.00 N ATOM 0 H ARG A 44 3.977 -20.383 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 44 6.874 -20.068 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.367 -20.023 -0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.800 -21.641 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.563 -21.721 0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.108 -22.541 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.473 -20.653 -1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.717 -19.591 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 44 9.156 -20.470 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.093 -22.414 -1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.353 -23.517 -0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.732 -21.912 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.271 -23.235 1.276 1.00 0.00 H new ATOM 714 N ALA A 45 5.760 -22.663 -3.968 1.00 0.00 N ATOM 715 CA ALA A 45 6.153 -23.973 -4.553 1.00 0.00 C ATOM 716 C ALA A 45 6.521 -23.820 -6.033 1.00 0.00 C ATOM 717 O ALA A 45 6.811 -24.791 -6.704 1.00 0.00 O ATOM 718 CB ALA A 45 4.978 -24.937 -4.426 1.00 0.00 C ATOM 0 H ALA A 45 4.902 -22.257 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 45 7.023 -24.354 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.252 -25.903 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.723 -25.063 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.118 -24.535 -4.962 1.00 0.00 H new ATOM 724 N MET A 46 6.512 -22.625 -6.559 1.00 0.00 N ATOM 725 CA MET A 46 6.859 -22.453 -7.985 1.00 0.00 C ATOM 726 C MET A 46 8.384 -22.480 -8.147 1.00 0.00 C ATOM 727 O MET A 46 9.012 -23.504 -7.963 1.00 0.00 O ATOM 728 CB MET A 46 6.274 -21.129 -8.475 1.00 0.00 C ATOM 729 CG MET A 46 6.573 -20.034 -7.456 1.00 0.00 C ATOM 730 SD MET A 46 7.086 -18.523 -8.315 1.00 0.00 S ATOM 731 CE MET A 46 6.009 -17.370 -7.430 1.00 0.00 C ATOM 0 H MET A 46 6.279 -21.767 -6.059 1.00 0.00 H new ATOM 0 HA MET A 46 6.442 -23.264 -8.582 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.701 -20.866 -9.443 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.198 -21.225 -8.617 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.689 -19.837 -6.850 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.359 -20.362 -6.776 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.060 -16.389 -7.902 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.982 -17.734 -7.461 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.335 -17.291 -6.393 1.00 0.00 H new ATOM 741 N LYS A 47 8.989 -21.378 -8.489 1.00 0.00 N ATOM 742 CA LYS A 47 10.461 -21.357 -8.661 1.00 0.00 C ATOM 743 C LYS A 47 11.103 -20.616 -7.488 1.00 0.00 C ATOM 744 O LYS A 47 11.671 -21.215 -6.596 1.00 0.00 O ATOM 745 CB LYS A 47 10.777 -20.628 -9.961 1.00 0.00 C ATOM 746 CG LYS A 47 11.154 -21.641 -11.043 1.00 0.00 C ATOM 747 CD LYS A 47 12.676 -21.681 -11.200 1.00 0.00 C ATOM 748 CE LYS A 47 13.033 -21.807 -12.683 1.00 0.00 C ATOM 749 NZ LYS A 47 14.145 -20.869 -13.009 1.00 0.00 N ATOM 0 H LYS A 47 8.521 -20.487 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 47 10.853 -22.374 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.914 -20.045 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.596 -19.926 -9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.780 -22.629 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.688 -21.368 -11.990 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.119 -20.776 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.088 -22.523 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.328 -22.831 -12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.162 -21.582 -13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.387 -20.955 -14.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.847 -19.893 -12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.978 -21.104 -12.432 1.00 0.00 H new ATOM 763 N ASP A 48 11.014 -19.314 -7.481 1.00 0.00 N ATOM 764 CA ASP A 48 11.615 -18.531 -6.366 1.00 0.00 C ATOM 765 C ASP A 48 10.795 -17.256 -6.145 1.00 0.00 C ATOM 766 O ASP A 48 9.751 -17.070 -6.738 1.00 0.00 O ATOM 767 CB ASP A 48 13.056 -18.158 -6.722 1.00 0.00 C ATOM 768 CG ASP A 48 14.017 -18.848 -5.752 1.00 0.00 C ATOM 769 OD1 ASP A 48 14.168 -20.054 -5.855 1.00 0.00 O ATOM 770 OD2 ASP A 48 14.586 -18.158 -4.922 1.00 0.00 O ATOM 0 H ASP A 48 10.550 -18.759 -8.200 1.00 0.00 H new ATOM 0 HA ASP A 48 11.612 -19.130 -5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.278 -18.459 -7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.186 -17.077 -6.672 1.00 0.00 H new ATOM 775 N LYS A 49 11.259 -16.377 -5.299 1.00 0.00 N ATOM 776 CA LYS A 49 10.504 -15.118 -5.045 1.00 0.00 C ATOM 777 C LYS A 49 11.397 -13.916 -5.354 1.00 0.00 C ATOM 778 O LYS A 49 10.951 -12.787 -5.360 1.00 0.00 O ATOM 779 CB LYS A 49 10.072 -15.070 -3.579 1.00 0.00 C ATOM 780 CG LYS A 49 9.366 -16.375 -3.217 1.00 0.00 C ATOM 781 CD LYS A 49 10.236 -17.170 -2.241 1.00 0.00 C ATOM 782 CE LYS A 49 9.925 -16.731 -0.809 1.00 0.00 C ATOM 783 NZ LYS A 49 11.188 -16.325 -0.128 1.00 0.00 N ATOM 0 H LYS A 49 12.127 -16.476 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 49 9.622 -15.088 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.940 -14.923 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.405 -14.224 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.396 -16.164 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.180 -16.962 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.047 -18.237 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.291 -17.008 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.220 -15.900 -0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.450 -17.546 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.977 -16.026 0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.846 -17.130 -0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.623 -15.535 -0.646 1.00 0.00 H new ATOM 797 N SER A 50 12.654 -14.146 -5.611 1.00 0.00 N ATOM 798 CA SER A 50 13.564 -13.009 -5.922 1.00 0.00 C ATOM 799 C SER A 50 13.136 -12.372 -7.246 1.00 0.00 C ATOM 800 O SER A 50 13.471 -11.241 -7.540 1.00 0.00 O ATOM 801 CB SER A 50 15.001 -13.521 -6.040 1.00 0.00 C ATOM 802 OG SER A 50 15.659 -13.362 -4.790 1.00 0.00 O ATOM 0 H SER A 50 13.089 -15.068 -5.619 1.00 0.00 H new ATOM 0 HA SER A 50 13.511 -12.268 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.003 -14.571 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.533 -12.971 -6.817 1.00 0.00 H new ATOM 0 HG SER A 50 16.580 -13.690 -4.861 1.00 0.00 H new ATOM 808 N GLU A 51 12.387 -13.089 -8.041 1.00 0.00 N ATOM 809 CA GLU A 51 11.927 -12.530 -9.340 1.00 0.00 C ATOM 810 C GLU A 51 11.006 -11.346 -9.074 1.00 0.00 C ATOM 811 O GLU A 51 11.349 -10.201 -9.307 1.00 0.00 O ATOM 812 CB GLU A 51 11.178 -13.605 -10.106 1.00 0.00 C ATOM 813 CG GLU A 51 10.294 -12.972 -11.187 1.00 0.00 C ATOM 814 CD GLU A 51 11.143 -12.046 -12.060 1.00 0.00 C ATOM 815 OE1 GLU A 51 12.353 -12.199 -12.048 1.00 0.00 O ATOM 816 OE2 GLU A 51 10.569 -11.201 -12.726 1.00 0.00 O ATOM 0 H GLU A 51 12.075 -14.040 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 51 12.782 -12.197 -9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.887 -14.295 -10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.564 -14.188 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.837 -13.749 -11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.482 -12.411 -10.725 1.00 0.00 H new ATOM 823 N TRP A 52 9.836 -11.620 -8.577 1.00 0.00 N ATOM 824 CA TRP A 52 8.877 -10.531 -8.279 1.00 0.00 C ATOM 825 C TRP A 52 9.472 -9.617 -7.228 1.00 0.00 C ATOM 826 O TRP A 52 9.508 -8.427 -7.395 1.00 0.00 O ATOM 827 CB TRP A 52 7.601 -11.134 -7.724 1.00 0.00 C ATOM 828 CG TRP A 52 7.137 -12.204 -8.619 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.372 -13.494 -8.419 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.364 -12.096 -9.833 1.00 0.00 C ATOM 831 NE1 TRP A 52 6.780 -14.219 -9.435 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.142 -13.393 -10.340 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.839 -11.006 -10.531 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.412 -13.601 -11.512 1.00 0.00 C ATOM 835 CZ3 TRP A 52 5.107 -11.202 -11.702 1.00 0.00 C ATOM 836 CH2 TRP A 52 4.888 -12.498 -12.196 1.00 0.00 C ATOM 0 H TRP A 52 9.502 -12.560 -8.363 1.00 0.00 H new ATOM 0 HA TRP A 52 8.666 -9.970 -9.189 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.778 -11.532 -6.725 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.834 -10.366 -7.629 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.934 -13.910 -7.596 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.810 -15.236 -9.508 1.00 0.00 H new ATOM 0 HE3 TRP A 52 6.001 -10.004 -10.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.254 -14.602 -11.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.706 -10.351 -12.232 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.317 -12.643 -13.101 1.00 0.00 H new ATOM 847 N GLU A 53 9.917 -10.179 -6.140 1.00 0.00 N ATOM 848 CA GLU A 53 10.505 -9.348 -5.043 1.00 0.00 C ATOM 849 C GLU A 53 11.256 -8.148 -5.629 1.00 0.00 C ATOM 850 O GLU A 53 10.964 -7.013 -5.307 1.00 0.00 O ATOM 851 CB GLU A 53 11.461 -10.203 -4.212 1.00 0.00 C ATOM 852 CG GLU A 53 10.678 -10.899 -3.096 1.00 0.00 C ATOM 853 CD GLU A 53 11.617 -11.808 -2.302 1.00 0.00 C ATOM 854 OE1 GLU A 53 11.856 -12.916 -2.751 1.00 0.00 O ATOM 855 OE2 GLU A 53 12.078 -11.379 -1.258 1.00 0.00 O ATOM 0 H GLU A 53 9.900 -11.183 -5.959 1.00 0.00 H new ATOM 0 HA GLU A 53 9.701 -8.979 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.949 -10.943 -4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.247 -9.580 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.229 -10.157 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.862 -11.484 -3.520 1.00 0.00 H new ATOM 862 N ALA A 54 12.205 -8.375 -6.495 1.00 0.00 N ATOM 863 CA ALA A 54 12.938 -7.222 -7.094 1.00 0.00 C ATOM 864 C ALA A 54 11.944 -6.368 -7.881 1.00 0.00 C ATOM 865 O ALA A 54 11.969 -5.155 -7.827 1.00 0.00 O ATOM 866 CB ALA A 54 14.031 -7.738 -8.035 1.00 0.00 C ATOM 0 H ALA A 54 12.503 -9.298 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 54 13.401 -6.626 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.564 -6.893 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.730 -8.359 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.577 -8.330 -8.830 1.00 0.00 H new ATOM 872 N LYS A 55 11.068 -7.000 -8.609 1.00 0.00 N ATOM 873 CA LYS A 55 10.058 -6.242 -9.404 1.00 0.00 C ATOM 874 C LYS A 55 9.294 -5.269 -8.499 1.00 0.00 C ATOM 875 O LYS A 55 9.005 -4.154 -8.881 1.00 0.00 O ATOM 876 CB LYS A 55 9.070 -7.223 -10.037 1.00 0.00 C ATOM 877 CG LYS A 55 9.781 -8.040 -11.116 1.00 0.00 C ATOM 878 CD LYS A 55 9.044 -7.879 -12.447 1.00 0.00 C ATOM 879 CE LYS A 55 9.329 -6.490 -13.021 1.00 0.00 C ATOM 880 NZ LYS A 55 10.508 -6.559 -13.929 1.00 0.00 N ATOM 0 H LYS A 55 11.006 -8.015 -8.689 1.00 0.00 H new ATOM 0 HA LYS A 55 10.571 -5.677 -10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.661 -7.886 -9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.230 -6.680 -10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.814 -7.707 -11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.812 -9.091 -10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.366 -8.648 -13.149 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.972 -8.011 -12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.458 -6.124 -13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.520 -5.783 -12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.702 -5.615 -14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.338 -6.890 -13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.309 -7.221 -14.706 1.00 0.00 H new ATOM 894 N ALA A 56 8.964 -5.678 -7.302 1.00 0.00 N ATOM 895 CA ALA A 56 8.222 -4.770 -6.390 1.00 0.00 C ATOM 896 C ALA A 56 9.018 -3.477 -6.251 1.00 0.00 C ATOM 897 O ALA A 56 8.470 -2.393 -6.192 1.00 0.00 O ATOM 898 CB ALA A 56 8.070 -5.432 -5.019 1.00 0.00 C ATOM 0 H ALA A 56 9.177 -6.600 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 56 7.231 -4.559 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.525 -4.765 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.520 -6.367 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.056 -5.637 -4.602 1.00 0.00 H new ATOM 904 N ALA A 57 10.317 -3.591 -6.214 1.00 0.00 N ATOM 905 CA ALA A 57 11.176 -2.384 -6.098 1.00 0.00 C ATOM 906 C ALA A 57 10.913 -1.476 -7.297 1.00 0.00 C ATOM 907 O ALA A 57 10.763 -0.278 -7.167 1.00 0.00 O ATOM 908 CB ALA A 57 12.643 -2.813 -6.106 1.00 0.00 C ATOM 0 H ALA A 57 10.822 -4.476 -6.260 1.00 0.00 H new ATOM 0 HA ALA A 57 10.953 -1.853 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.280 -1.933 -6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.832 -3.480 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.865 -3.333 -7.038 1.00 0.00 H new ATOM 914 N LYS A 58 10.863 -2.048 -8.467 1.00 0.00 N ATOM 915 CA LYS A 58 10.614 -1.239 -9.692 1.00 0.00 C ATOM 916 C LYS A 58 9.317 -0.443 -9.533 1.00 0.00 C ATOM 917 O LYS A 58 9.270 0.731 -9.827 1.00 0.00 O ATOM 918 CB LYS A 58 10.501 -2.170 -10.900 1.00 0.00 C ATOM 919 CG LYS A 58 11.418 -1.671 -12.018 1.00 0.00 C ATOM 920 CD LYS A 58 12.854 -2.123 -11.744 1.00 0.00 C ATOM 921 CE LYS A 58 13.652 -2.103 -13.048 1.00 0.00 C ATOM 922 NZ LYS A 58 15.109 -2.055 -12.739 1.00 0.00 N ATOM 0 H LYS A 58 10.985 -3.048 -8.628 1.00 0.00 H new ATOM 0 HA LYS A 58 11.442 -0.546 -9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.776 -3.186 -10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.469 -2.205 -11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.081 -2.059 -12.979 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.374 -0.584 -12.080 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.320 -1.465 -11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.856 -3.127 -11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.424 -2.990 -13.640 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.368 -1.238 -13.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.652 -2.041 -13.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.320 -1.196 -12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.374 -2.894 -12.184 1.00 0.00 H new ATOM 936 N ALA A 59 8.264 -1.061 -9.067 1.00 0.00 N ATOM 937 CA ALA A 59 6.990 -0.306 -8.892 1.00 0.00 C ATOM 938 C ALA A 59 7.233 0.835 -7.907 1.00 0.00 C ATOM 939 O ALA A 59 6.590 1.861 -7.955 1.00 0.00 O ATOM 940 CB ALA A 59 5.903 -1.230 -8.336 1.00 0.00 C ATOM 0 H ALA A 59 8.231 -2.046 -8.803 1.00 0.00 H new ATOM 0 HA ALA A 59 6.662 0.086 -9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.977 -0.669 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.737 -2.055 -9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.220 -1.625 -7.371 1.00 0.00 H new ATOM 946 N LYS A 60 8.168 0.658 -7.015 1.00 0.00 N ATOM 947 CA LYS A 60 8.474 1.713 -6.022 1.00 0.00 C ATOM 948 C LYS A 60 9.009 2.950 -6.737 1.00 0.00 C ATOM 949 O LYS A 60 8.453 4.026 -6.649 1.00 0.00 O ATOM 950 CB LYS A 60 9.551 1.180 -5.087 1.00 0.00 C ATOM 951 CG LYS A 60 9.178 1.479 -3.634 1.00 0.00 C ATOM 952 CD LYS A 60 10.256 0.913 -2.708 1.00 0.00 C ATOM 953 CE LYS A 60 10.544 1.913 -1.588 1.00 0.00 C ATOM 954 NZ LYS A 60 11.537 1.328 -0.642 1.00 0.00 N ATOM 0 H LYS A 60 8.737 -0.185 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 60 7.574 1.979 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.667 0.105 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.511 1.638 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.083 2.555 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.210 1.037 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.926 -0.036 -2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.166 0.712 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.929 2.843 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.623 2.158 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.733 2.008 0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.153 0.452 -0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.418 1.115 -1.151 1.00 0.00 H new ATOM 968 N ASP A 61 10.099 2.800 -7.434 1.00 0.00 N ATOM 969 CA ASP A 61 10.696 3.963 -8.152 1.00 0.00 C ATOM 970 C ASP A 61 9.733 4.466 -9.231 1.00 0.00 C ATOM 971 O ASP A 61 9.758 5.621 -9.606 1.00 0.00 O ATOM 972 CB ASP A 61 12.014 3.532 -8.799 1.00 0.00 C ATOM 973 CG ASP A 61 13.106 3.460 -7.729 1.00 0.00 C ATOM 974 OD1 ASP A 61 13.015 2.592 -6.878 1.00 0.00 O ATOM 975 OD2 ASP A 61 14.013 4.273 -7.782 1.00 0.00 O ATOM 0 H ASP A 61 10.605 1.921 -7.539 1.00 0.00 H new ATOM 0 HA ASP A 61 10.881 4.769 -7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.896 2.561 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.298 4.240 -9.577 1.00 0.00 H new ATOM 980 N ASP A 62 8.880 3.615 -9.724 1.00 0.00 N ATOM 981 CA ASP A 62 7.912 4.049 -10.767 1.00 0.00 C ATOM 982 C ASP A 62 6.671 4.619 -10.081 1.00 0.00 C ATOM 983 O ASP A 62 5.838 5.245 -10.695 1.00 0.00 O ATOM 984 CB ASP A 62 7.517 2.850 -11.627 1.00 0.00 C ATOM 985 CG ASP A 62 7.427 3.280 -13.092 1.00 0.00 C ATOM 986 OD1 ASP A 62 8.413 3.790 -13.600 1.00 0.00 O ATOM 987 OD2 ASP A 62 6.375 3.095 -13.681 1.00 0.00 O ATOM 0 H ASP A 62 8.811 2.635 -9.449 1.00 0.00 H new ATOM 0 HA ASP A 62 8.366 4.810 -11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.251 2.052 -11.516 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.559 2.451 -11.295 1.00 0.00 H new ATOM 992 N TYR A 63 6.550 4.395 -8.806 1.00 0.00 N ATOM 993 CA TYR A 63 5.380 4.905 -8.046 1.00 0.00 C ATOM 994 C TYR A 63 5.669 6.327 -7.566 1.00 0.00 C ATOM 995 O TYR A 63 4.827 7.197 -7.638 1.00 0.00 O ATOM 996 CB TYR A 63 5.149 3.970 -6.863 1.00 0.00 C ATOM 997 CG TYR A 63 3.932 4.377 -6.117 1.00 0.00 C ATOM 998 CD1 TYR A 63 3.864 5.613 -5.476 1.00 0.00 C ATOM 999 CD2 TYR A 63 2.880 3.492 -6.048 1.00 0.00 C ATOM 1000 CE1 TYR A 63 2.713 5.959 -4.766 1.00 0.00 C ATOM 1001 CE2 TYR A 63 1.736 3.816 -5.342 1.00 0.00 C ATOM 1002 CZ TYR A 63 1.639 5.057 -4.697 1.00 0.00 C ATOM 1003 OH TYR A 63 0.501 5.386 -3.991 1.00 0.00 O ATOM 0 H TYR A 63 7.224 3.871 -8.249 1.00 0.00 H new ATOM 0 HA TYR A 63 4.487 4.933 -8.671 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.042 2.944 -7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 63 6.014 3.990 -6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.697 6.299 -5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.949 2.538 -6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.649 6.917 -4.272 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.918 3.113 -5.287 1.00 0.00 H new ATOM 0 HH TYR A 63 -0.143 4.650 -4.047 1.00 0.00 H new ATOM 1013 N ASP A 64 6.853 6.577 -7.090 1.00 0.00 N ATOM 1014 CA ASP A 64 7.191 7.947 -6.621 1.00 0.00 C ATOM 1015 C ASP A 64 7.363 8.848 -7.834 1.00 0.00 C ATOM 1016 O ASP A 64 7.082 10.029 -7.800 1.00 0.00 O ATOM 1017 CB ASP A 64 8.490 7.899 -5.848 1.00 0.00 C ATOM 1018 CG ASP A 64 8.575 9.100 -4.904 1.00 0.00 C ATOM 1019 OD1 ASP A 64 8.066 10.150 -5.263 1.00 0.00 O ATOM 1020 OD2 ASP A 64 9.147 8.951 -3.837 1.00 0.00 O ATOM 0 H ASP A 64 7.603 5.891 -7.005 1.00 0.00 H new ATOM 0 HA ASP A 64 6.398 8.331 -5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.551 6.972 -5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.335 7.906 -6.537 1.00 0.00 H new ATOM 1025 N ARG A 65 7.842 8.287 -8.902 1.00 0.00 N ATOM 1026 CA ARG A 65 8.061 9.088 -10.134 1.00 0.00 C ATOM 1027 C ARG A 65 6.773 9.166 -10.960 1.00 0.00 C ATOM 1028 O ARG A 65 6.458 10.188 -11.536 1.00 0.00 O ATOM 1029 CB ARG A 65 9.161 8.440 -10.974 1.00 0.00 C ATOM 1030 CG ARG A 65 9.549 9.376 -12.120 1.00 0.00 C ATOM 1031 CD ARG A 65 8.874 8.910 -13.410 1.00 0.00 C ATOM 1032 NE ARG A 65 9.902 8.355 -14.335 1.00 0.00 N ATOM 1033 CZ ARG A 65 9.539 7.642 -15.366 1.00 0.00 C ATOM 1034 NH1 ARG A 65 9.163 8.231 -16.468 1.00 0.00 N ATOM 1035 NH2 ARG A 65 9.553 6.338 -15.295 1.00 0.00 N ATOM 0 H ARG A 65 8.094 7.301 -8.977 1.00 0.00 H new ATOM 0 HA ARG A 65 8.358 10.097 -9.847 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.031 8.230 -10.352 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.815 7.486 -11.371 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.247 10.397 -11.888 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.632 9.384 -12.246 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.123 8.152 -13.187 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.355 9.744 -13.883 1.00 0.00 H new ATOM 0 HE ARG A 65 10.891 8.533 -14.162 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.153 9.249 -16.524 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.879 7.673 -17.273 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.848 5.877 -14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.269 5.780 -16.101 1.00 0.00 H new ATOM 1049 N ALA A 66 6.030 8.095 -11.034 1.00 0.00 N ATOM 1050 CA ALA A 66 4.770 8.120 -11.837 1.00 0.00 C ATOM 1051 C ALA A 66 3.757 9.050 -11.183 1.00 0.00 C ATOM 1052 O ALA A 66 2.884 9.569 -11.838 1.00 0.00 O ATOM 1053 CB ALA A 66 4.175 6.716 -11.922 1.00 0.00 C ATOM 0 H ALA A 66 6.238 7.207 -10.576 1.00 0.00 H new ATOM 0 HA ALA A 66 5.003 8.478 -12.840 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.257 6.745 -12.509 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.890 6.046 -12.399 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.952 6.354 -10.918 1.00 0.00 H new ATOM 1059 N VAL A 67 3.858 9.276 -9.902 1.00 0.00 N ATOM 1060 CA VAL A 67 2.889 10.194 -9.253 1.00 0.00 C ATOM 1061 C VAL A 67 3.166 11.608 -9.746 1.00 0.00 C ATOM 1062 O VAL A 67 2.283 12.425 -9.843 1.00 0.00 O ATOM 1063 CB VAL A 67 3.058 10.168 -7.757 1.00 0.00 C ATOM 1064 CG1 VAL A 67 2.647 8.807 -7.205 1.00 0.00 C ATOM 1065 CG2 VAL A 67 4.501 10.447 -7.448 1.00 0.00 C ATOM 0 H VAL A 67 4.561 8.869 -9.286 1.00 0.00 H new ATOM 0 HA VAL A 67 1.875 9.881 -9.502 1.00 0.00 H new ATOM 0 HB VAL A 67 2.424 10.922 -7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.774 8.800 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.602 8.616 -7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.271 8.031 -7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.651 10.434 -6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.126 9.683 -7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.774 11.426 -7.840 1.00 0.00 H new ATOM 1075 N LYS A 68 4.404 11.887 -10.049 1.00 0.00 N ATOM 1076 CA LYS A 68 4.790 13.242 -10.550 1.00 0.00 C ATOM 1077 C LYS A 68 4.172 13.453 -11.935 1.00 0.00 C ATOM 1078 O LYS A 68 3.405 14.368 -12.152 1.00 0.00 O ATOM 1079 CB LYS A 68 6.313 13.325 -10.659 1.00 0.00 C ATOM 1080 CG LYS A 68 6.785 14.711 -10.218 1.00 0.00 C ATOM 1081 CD LYS A 68 8.134 14.586 -9.508 1.00 0.00 C ATOM 1082 CE LYS A 68 8.918 15.890 -9.663 1.00 0.00 C ATOM 1083 NZ LYS A 68 10.149 15.831 -8.824 1.00 0.00 N ATOM 0 H LYS A 68 5.177 11.226 -9.970 1.00 0.00 H new ATOM 0 HA LYS A 68 4.431 14.008 -9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.774 12.558 -10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.625 13.133 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.876 15.368 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.051 15.162 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.981 14.365 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.702 13.756 -9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.184 16.045 -10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.300 16.736 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.683 16.717 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.884 15.702 -7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.740 15.032 -9.131 1.00 0.00 H new ATOM 1097 N GLU A 69 4.485 12.592 -12.868 1.00 0.00 N ATOM 1098 CA GLU A 69 3.892 12.712 -14.226 1.00 0.00 C ATOM 1099 C GLU A 69 2.378 12.635 -14.059 1.00 0.00 C ATOM 1100 O GLU A 69 1.604 13.246 -14.768 1.00 0.00 O ATOM 1101 CB GLU A 69 4.368 11.526 -15.061 1.00 0.00 C ATOM 1102 CG GLU A 69 5.590 11.936 -15.885 1.00 0.00 C ATOM 1103 CD GLU A 69 5.134 12.467 -17.245 1.00 0.00 C ATOM 1104 OE1 GLU A 69 3.937 12.509 -17.473 1.00 0.00 O ATOM 1105 OE2 GLU A 69 5.992 12.824 -18.037 1.00 0.00 O ATOM 0 H GLU A 69 5.128 11.810 -12.744 1.00 0.00 H new ATOM 0 HA GLU A 69 4.181 13.643 -14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.620 10.688 -14.411 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.569 11.189 -15.721 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.158 12.701 -15.356 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.254 11.082 -16.020 1.00 0.00 H new ATOM 1112 N PHE A 70 1.989 11.876 -13.085 1.00 0.00 N ATOM 1113 CA PHE A 70 0.561 11.671 -12.738 1.00 0.00 C ATOM 1114 C PHE A 70 -0.016 12.942 -12.119 1.00 0.00 C ATOM 1115 O PHE A 70 -1.194 13.223 -12.222 1.00 0.00 O ATOM 1116 CB PHE A 70 0.530 10.584 -11.692 1.00 0.00 C ATOM 1117 CG PHE A 70 -0.740 10.677 -10.934 1.00 0.00 C ATOM 1118 CD1 PHE A 70 -1.899 10.178 -11.491 1.00 0.00 C ATOM 1119 CD2 PHE A 70 -0.742 11.298 -9.697 1.00 0.00 C ATOM 1120 CE1 PHE A 70 -3.103 10.291 -10.801 1.00 0.00 C ATOM 1121 CE2 PHE A 70 -1.941 11.418 -8.989 1.00 0.00 C ATOM 1122 CZ PHE A 70 -3.129 10.912 -9.542 1.00 0.00 C ATOM 0 H PHE A 70 2.635 11.363 -12.485 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.018 11.414 -13.625 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.615 9.605 -12.164 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.379 10.687 -11.017 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.873 9.701 -12.460 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.176 11.687 -9.282 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.014 9.902 -11.233 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.954 11.897 -8.021 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.059 11.000 -9.001 1.00 0.00 H new ATOM 1132 N GLU A 71 0.804 13.691 -11.456 1.00 0.00 N ATOM 1133 CA GLU A 71 0.313 14.923 -10.801 1.00 0.00 C ATOM 1134 C GLU A 71 0.366 16.048 -11.822 1.00 0.00 C ATOM 1135 O GLU A 71 -0.199 17.109 -11.648 1.00 0.00 O ATOM 1136 CB GLU A 71 1.218 15.273 -9.615 1.00 0.00 C ATOM 1137 CG GLU A 71 1.050 14.225 -8.515 1.00 0.00 C ATOM 1138 CD GLU A 71 0.350 14.853 -7.308 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -0.606 15.581 -7.517 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.781 14.595 -6.197 1.00 0.00 O ATOM 0 H GLU A 71 1.800 13.503 -11.338 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.705 14.779 -10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.258 15.313 -9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.966 16.261 -9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.468 13.382 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.024 13.834 -8.220 1.00 0.00 H new ATOM 1147 N ALA A 72 1.080 15.806 -12.879 1.00 0.00 N ATOM 1148 CA ALA A 72 1.252 16.811 -13.942 1.00 0.00 C ATOM 1149 C ALA A 72 0.258 16.547 -15.076 1.00 0.00 C ATOM 1150 O ALA A 72 0.520 16.847 -16.224 1.00 0.00 O ATOM 1151 CB ALA A 72 2.677 16.655 -14.451 1.00 0.00 C ATOM 0 H ALA A 72 1.564 14.925 -13.050 1.00 0.00 H new ATOM 0 HA ALA A 72 1.072 17.819 -13.569 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.861 17.379 -15.245 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.376 16.828 -13.633 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.816 15.646 -14.840 1.00 0.00 H new ATOM 1157 N ASN A 73 -0.875 15.981 -14.767 1.00 0.00 N ATOM 1158 CA ASN A 73 -1.877 15.693 -15.832 1.00 0.00 C ATOM 1159 C ASN A 73 -2.962 16.771 -15.825 1.00 0.00 C ATOM 1160 O ASN A 73 -3.659 16.968 -16.802 1.00 0.00 O ATOM 1161 CB ASN A 73 -2.512 14.326 -15.575 1.00 0.00 C ATOM 1162 CG ASN A 73 -3.335 14.378 -14.295 1.00 0.00 C ATOM 1163 OD1 ASN A 73 -3.159 15.259 -13.477 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -4.235 13.463 -14.087 1.00 0.00 N ATOM 0 H ASN A 73 -1.151 15.705 -13.824 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.382 15.689 -16.803 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.146 14.044 -16.416 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.737 13.564 -15.491 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.796 13.483 -13.235 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.380 12.725 -14.776 1.00 0.00 H new ATOM 1171 N GLY A 74 -3.116 17.470 -14.734 1.00 0.00 N ATOM 1172 CA GLY A 74 -4.158 18.532 -14.671 1.00 0.00 C ATOM 1173 C GLY A 74 -3.542 19.880 -15.042 1.00 0.00 C ATOM 1174 O GLY A 74 -2.455 19.880 -15.596 1.00 0.00 O ATOM 1175 OXT GLY A 74 -4.167 20.890 -14.768 1.00 0.00 O ATOM 0 H GLY A 74 -2.565 17.351 -13.884 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.975 18.295 -15.353 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.583 18.579 -13.668 1.00 0.00 H new TER 1179 GLY A 74