USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 78 HIS HD1 : A 78 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 LYS NZ :NH3+ -140:sc= 0.00265 (180deg=-0.866) USER MOD Set 2.2: A 58 ASN : amide:sc= -4.47! C(o=-4.5!,f=-6.1!) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0482 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 0.543 USER MOD Single : A 3 SER OG : rot 12:sc= 0.433 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 33:sc= 0.032 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.551 K(o=-0.55,f=-0.026) USER MOD Single : A 21 SER OG : rot 36:sc= 0.818 USER MOD Single : A 23 GLN : amide:sc= -0.832 K(o=-0.83,f=-6.3!) USER MOD Single : A 25 MET CE :methyl -117:sc= -0.275 (180deg=-2.34!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.28 K(o=-1.3,f=-1.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -132:sc= -1.13 (180deg=-4.46!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 148:sc= 0.258 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -57:sc= 0.956 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.615 27.092 57.289 1.00 0.00 N ATOM 2 CA GLY A 1 -39.256 27.590 56.086 1.00 0.00 C ATOM 3 C GLY A 1 -40.399 26.704 55.630 1.00 0.00 C ATOM 4 O GLY A 1 -40.973 25.961 56.425 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.417 27.886 57.931 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.244 26.412 57.762 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.723 26.620 57.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.631 28.597 56.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.517 27.664 55.288 1.00 0.00 H new ATOM 8 N SER A 2 -40.732 26.784 54.345 1.00 0.00 N ATOM 9 CA SER A 2 -41.817 25.988 53.785 1.00 0.00 C ATOM 10 C SER A 2 -41.611 25.764 52.290 1.00 0.00 C ATOM 11 O SER A 2 -41.376 26.708 51.536 1.00 0.00 O ATOM 12 CB SER A 2 -43.161 26.676 54.029 1.00 0.00 C ATOM 13 OG SER A 2 -43.602 26.478 55.361 1.00 0.00 O ATOM 0 H SER A 2 -40.265 27.393 53.673 1.00 0.00 H new ATOM 0 HA SER A 2 -41.818 25.018 54.283 1.00 0.00 H new ATOM 0 HB2 SER A 2 -43.068 27.743 53.828 1.00 0.00 H new ATOM 0 HB3 SER A 2 -43.905 26.285 53.335 1.00 0.00 H new ATOM 0 HG SER A 2 -42.861 26.137 55.904 1.00 0.00 H new ATOM 19 N SER A 3 -41.701 24.506 51.869 1.00 0.00 N ATOM 20 CA SER A 3 -41.522 24.156 50.465 1.00 0.00 C ATOM 21 C SER A 3 -42.293 22.885 50.119 1.00 0.00 C ATOM 22 O SER A 3 -42.504 22.023 50.971 1.00 0.00 O ATOM 23 CB SER A 3 -40.036 23.966 50.151 1.00 0.00 C ATOM 24 OG SER A 3 -39.377 25.214 50.028 1.00 0.00 O ATOM 0 H SER A 3 -41.897 23.713 52.480 1.00 0.00 H new ATOM 0 HA SER A 3 -41.913 24.973 49.859 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.566 23.380 50.941 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.926 23.400 49.226 1.00 0.00 H new ATOM 0 HG SER A 3 -39.963 25.927 50.357 1.00 0.00 H new ATOM 30 N GLY A 4 -42.711 22.778 48.861 1.00 0.00 N ATOM 31 CA GLY A 4 -43.454 21.611 48.424 1.00 0.00 C ATOM 32 C GLY A 4 -43.165 21.248 46.981 1.00 0.00 C ATOM 33 O GLY A 4 -43.100 22.120 46.115 1.00 0.00 O ATOM 0 H GLY A 4 -42.548 23.478 48.138 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -43.206 20.765 49.065 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -44.521 21.798 48.542 1.00 0.00 H new ATOM 37 N SER A 5 -42.989 19.956 46.721 1.00 0.00 N ATOM 38 CA SER A 5 -42.700 19.479 45.374 1.00 0.00 C ATOM 39 C SER A 5 -43.221 18.059 45.176 1.00 0.00 C ATOM 40 O SER A 5 -43.036 17.193 46.031 1.00 0.00 O ATOM 41 CB SER A 5 -41.194 19.523 45.107 1.00 0.00 C ATOM 42 OG SER A 5 -40.859 18.771 43.953 1.00 0.00 O ATOM 0 H SER A 5 -43.042 19.221 47.426 1.00 0.00 H new ATOM 0 HA SER A 5 -43.207 20.135 44.667 1.00 0.00 H new ATOM 0 HB2 SER A 5 -40.875 20.557 44.977 1.00 0.00 H new ATOM 0 HB3 SER A 5 -40.657 19.130 45.970 1.00 0.00 H new ATOM 0 HG SER A 5 -39.892 18.816 43.803 1.00 0.00 H new ATOM 48 N SER A 6 -43.875 17.828 44.042 1.00 0.00 N ATOM 49 CA SER A 6 -44.428 16.514 43.733 1.00 0.00 C ATOM 50 C SER A 6 -44.502 16.298 42.224 1.00 0.00 C ATOM 51 O SER A 6 -44.626 17.250 41.455 1.00 0.00 O ATOM 52 CB SER A 6 -45.819 16.365 44.350 1.00 0.00 C ATOM 53 OG SER A 6 -46.361 15.083 44.083 1.00 0.00 O ATOM 0 H SER A 6 -44.035 18.533 43.322 1.00 0.00 H new ATOM 0 HA SER A 6 -43.767 15.759 44.159 1.00 0.00 H new ATOM 0 HB2 SER A 6 -45.761 16.522 45.427 1.00 0.00 H new ATOM 0 HB3 SER A 6 -46.481 17.133 43.951 1.00 0.00 H new ATOM 0 HG SER A 6 -47.250 15.012 44.490 1.00 0.00 H new ATOM 59 N GLY A 7 -44.426 15.038 41.809 1.00 0.00 N ATOM 60 CA GLY A 7 -44.486 14.718 40.394 1.00 0.00 C ATOM 61 C GLY A 7 -43.449 13.689 39.988 1.00 0.00 C ATOM 62 O GLY A 7 -42.256 13.987 39.938 1.00 0.00 O ATOM 0 H GLY A 7 -44.324 14.233 42.427 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -45.480 14.343 40.151 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -44.338 15.628 39.812 1.00 0.00 H new ATOM 66 N VAL A 8 -43.905 12.475 39.698 1.00 0.00 N ATOM 67 CA VAL A 8 -43.008 11.398 39.295 1.00 0.00 C ATOM 68 C VAL A 8 -43.618 10.566 38.172 1.00 0.00 C ATOM 69 O VAL A 8 -44.833 10.371 38.120 1.00 0.00 O ATOM 70 CB VAL A 8 -42.672 10.473 40.480 1.00 0.00 C ATOM 71 CG1 VAL A 8 -43.939 9.849 41.046 1.00 0.00 C ATOM 72 CG2 VAL A 8 -41.683 9.399 40.053 1.00 0.00 C ATOM 0 H VAL A 8 -44.890 12.212 39.734 1.00 0.00 H new ATOM 0 HA VAL A 8 -42.091 11.867 38.939 1.00 0.00 H new ATOM 0 HB VAL A 8 -42.208 11.070 41.265 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -43.682 9.199 41.882 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -44.609 10.636 41.391 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -44.434 9.264 40.271 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -41.457 8.754 40.902 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -42.117 8.803 39.251 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -40.765 9.869 39.700 1.00 0.00 H new ATOM 82 N ARG A 9 -42.768 10.078 37.275 1.00 0.00 N ATOM 83 CA ARG A 9 -43.224 9.267 36.152 1.00 0.00 C ATOM 84 C ARG A 9 -42.191 8.201 35.798 1.00 0.00 C ATOM 85 O ARG A 9 -41.025 8.301 36.178 1.00 0.00 O ATOM 86 CB ARG A 9 -43.498 10.152 34.935 1.00 0.00 C ATOM 87 CG ARG A 9 -44.641 11.133 35.140 1.00 0.00 C ATOM 88 CD ARG A 9 -44.865 11.992 33.906 1.00 0.00 C ATOM 89 NE ARG A 9 -43.805 12.980 33.726 1.00 0.00 N ATOM 90 CZ ARG A 9 -43.966 14.119 33.061 1.00 0.00 C ATOM 91 NH1 ARG A 9 -45.138 14.411 32.515 1.00 0.00 N ATOM 92 NH2 ARG A 9 -42.953 14.967 32.941 1.00 0.00 N ATOM 0 H ARG A 9 -41.760 10.230 37.304 1.00 0.00 H new ATOM 0 HA ARG A 9 -44.148 8.770 36.446 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -42.593 10.708 34.689 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -43.724 9.517 34.078 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -45.554 10.586 35.374 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -44.424 11.773 35.996 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -44.918 11.353 33.025 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -45.825 12.502 33.989 1.00 0.00 H new ATOM 0 HE ARG A 9 -42.890 12.785 34.133 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -45.919 13.761 32.605 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -45.259 15.286 32.005 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -42.050 14.745 33.359 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -43.077 15.841 32.430 1.00 0.00 H new ATOM 106 N ALA A 10 -42.629 7.181 35.067 1.00 0.00 N ATOM 107 CA ALA A 10 -41.744 6.097 34.660 1.00 0.00 C ATOM 108 C ALA A 10 -41.897 5.792 33.174 1.00 0.00 C ATOM 109 O ALA A 10 -42.968 5.413 32.700 1.00 0.00 O ATOM 110 CB ALA A 10 -42.020 4.850 35.488 1.00 0.00 C ATOM 0 H ALA A 10 -43.592 7.083 34.745 1.00 0.00 H new ATOM 0 HA ALA A 10 -40.716 6.415 34.835 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -41.352 4.049 35.173 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -41.852 5.069 36.543 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -43.054 4.538 35.342 1.00 0.00 H new ATOM 116 N PRO A 11 -40.801 5.960 32.419 1.00 0.00 N ATOM 117 CA PRO A 11 -40.789 5.708 30.974 1.00 0.00 C ATOM 118 C PRO A 11 -40.908 4.225 30.644 1.00 0.00 C ATOM 119 O PRO A 11 -41.017 3.386 31.538 1.00 0.00 O ATOM 120 CB PRO A 11 -39.426 6.247 30.532 1.00 0.00 C ATOM 121 CG PRO A 11 -38.572 6.164 31.750 1.00 0.00 C ATOM 122 CD PRO A 11 -39.490 6.409 32.916 1.00 0.00 C ATOM 0 HA PRO A 11 -41.633 6.180 30.470 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -39.011 5.654 29.717 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -39.504 7.273 30.172 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -38.096 5.187 31.827 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -37.774 6.906 31.719 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -39.180 5.846 33.797 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -39.507 7.461 33.200 1.00 0.00 H new ATOM 130 N VAL A 12 -40.887 3.907 29.353 1.00 0.00 N ATOM 131 CA VAL A 12 -40.991 2.524 28.904 1.00 0.00 C ATOM 132 C VAL A 12 -40.271 2.321 27.576 1.00 0.00 C ATOM 133 O VAL A 12 -40.076 3.267 26.811 1.00 0.00 O ATOM 134 CB VAL A 12 -42.462 2.093 28.749 1.00 0.00 C ATOM 135 CG1 VAL A 12 -43.176 2.139 30.091 1.00 0.00 C ATOM 136 CG2 VAL A 12 -43.169 2.973 27.729 1.00 0.00 C ATOM 0 H VAL A 12 -40.799 4.589 28.600 1.00 0.00 H new ATOM 0 HA VAL A 12 -40.518 1.907 29.668 1.00 0.00 H new ATOM 0 HB VAL A 12 -42.486 1.065 28.387 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -44.214 1.831 29.962 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -42.682 1.464 30.789 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -43.145 3.155 30.485 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -44.207 2.655 27.632 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -43.137 4.011 28.060 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -42.670 2.884 26.764 1.00 0.00 H new ATOM 146 N THR A 13 -39.877 1.081 27.306 1.00 0.00 N ATOM 147 CA THR A 13 -39.177 0.753 26.070 1.00 0.00 C ATOM 148 C THR A 13 -39.522 -0.656 25.600 1.00 0.00 C ATOM 149 O THR A 13 -39.556 -1.596 26.394 1.00 0.00 O ATOM 150 CB THR A 13 -37.651 0.865 26.242 1.00 0.00 C ATOM 151 OG1 THR A 13 -37.209 -0.009 27.286 1.00 0.00 O ATOM 152 CG2 THR A 13 -37.247 2.296 26.567 1.00 0.00 C ATOM 0 H THR A 13 -40.031 0.287 27.927 1.00 0.00 H new ATOM 0 HA THR A 13 -39.505 1.474 25.321 1.00 0.00 H new ATOM 0 HB THR A 13 -37.180 0.575 25.303 1.00 0.00 H new ATOM 0 HG1 THR A 13 -37.778 -0.807 27.307 1.00 0.00 H new ATOM 0 HG21 THR A 13 -36.165 2.351 26.684 1.00 0.00 H new ATOM 0 HG22 THR A 13 -37.558 2.955 25.756 1.00 0.00 H new ATOM 0 HG23 THR A 13 -37.728 2.608 27.494 1.00 0.00 H new ATOM 160 N LYS A 14 -39.776 -0.796 24.304 1.00 0.00 N ATOM 161 CA LYS A 14 -40.117 -2.091 23.726 1.00 0.00 C ATOM 162 C LYS A 14 -39.730 -2.147 22.252 1.00 0.00 C ATOM 163 O LYS A 14 -40.384 -1.540 21.404 1.00 0.00 O ATOM 164 CB LYS A 14 -41.614 -2.364 23.882 1.00 0.00 C ATOM 165 CG LYS A 14 -41.957 -3.841 23.972 1.00 0.00 C ATOM 166 CD LYS A 14 -43.236 -4.070 24.758 1.00 0.00 C ATOM 167 CE LYS A 14 -42.956 -4.225 26.245 1.00 0.00 C ATOM 168 NZ LYS A 14 -44.006 -5.031 26.927 1.00 0.00 N ATOM 0 H LYS A 14 -39.752 -0.028 23.633 1.00 0.00 H new ATOM 0 HA LYS A 14 -39.557 -2.858 24.260 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -41.975 -1.861 24.779 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.145 -1.927 23.036 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -42.067 -4.251 22.968 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -41.136 -4.378 24.447 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.916 -3.233 24.600 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.738 -4.963 24.386 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -41.985 -4.701 26.384 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -42.897 -3.240 26.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -43.778 -5.113 27.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -44.929 -4.564 26.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -44.046 -5.980 26.503 1.00 0.00 H new ATOM 182 N VAL A 15 -38.663 -2.882 21.952 1.00 0.00 N ATOM 183 CA VAL A 15 -38.191 -3.020 20.580 1.00 0.00 C ATOM 184 C VAL A 15 -37.600 -4.404 20.338 1.00 0.00 C ATOM 185 O VAL A 15 -37.414 -5.183 21.274 1.00 0.00 O ATOM 186 CB VAL A 15 -37.130 -1.955 20.241 1.00 0.00 C ATOM 187 CG1 VAL A 15 -37.731 -0.560 20.317 1.00 0.00 C ATOM 188 CG2 VAL A 15 -35.934 -2.081 21.173 1.00 0.00 C ATOM 0 H VAL A 15 -38.110 -3.391 22.641 1.00 0.00 H new ATOM 0 HA VAL A 15 -39.057 -2.879 19.933 1.00 0.00 H new ATOM 0 HB VAL A 15 -36.786 -2.121 19.220 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -36.967 0.179 20.075 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -38.553 -0.479 19.606 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -38.104 -0.379 21.325 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -35.194 -1.322 20.920 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -36.260 -1.941 22.204 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -35.490 -3.071 21.064 1.00 0.00 H new ATOM 198 N HIS A 16 -37.307 -4.705 19.077 1.00 0.00 N ATOM 199 CA HIS A 16 -36.736 -5.997 18.712 1.00 0.00 C ATOM 200 C HIS A 16 -35.622 -5.827 17.683 1.00 0.00 C ATOM 201 O HIS A 16 -35.575 -4.830 16.964 1.00 0.00 O ATOM 202 CB HIS A 16 -37.821 -6.920 18.158 1.00 0.00 C ATOM 203 CG HIS A 16 -38.418 -6.439 16.872 1.00 0.00 C ATOM 204 ND1 HIS A 16 -38.581 -7.249 15.768 1.00 0.00 N ATOM 205 CD2 HIS A 16 -38.894 -5.222 16.517 1.00 0.00 C ATOM 206 CE1 HIS A 16 -39.130 -6.552 14.790 1.00 0.00 C ATOM 207 NE2 HIS A 16 -39.330 -5.318 15.218 1.00 0.00 N ATOM 0 H HIS A 16 -37.455 -4.072 18.291 1.00 0.00 H new ATOM 0 HA HIS A 16 -36.312 -6.446 19.610 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -37.398 -7.913 18.004 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -38.613 -7.023 18.900 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -38.925 -4.340 17.139 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -39.374 -6.927 13.807 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -39.741 -4.560 14.673 1.00 0.00 H new ATOM 216 N GLY A 17 -34.727 -6.808 17.619 1.00 0.00 N ATOM 217 CA GLY A 17 -33.626 -6.747 16.676 1.00 0.00 C ATOM 218 C GLY A 17 -33.631 -7.909 15.702 1.00 0.00 C ATOM 219 O GLY A 17 -33.967 -9.034 16.070 1.00 0.00 O ATOM 0 H GLY A 17 -34.745 -7.644 18.203 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -33.679 -5.811 16.120 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -32.683 -6.740 17.223 1.00 0.00 H new ATOM 223 N GLY A 18 -33.260 -7.636 14.455 1.00 0.00 N ATOM 224 CA GLY A 18 -33.232 -8.677 13.445 1.00 0.00 C ATOM 225 C GLY A 18 -32.200 -8.412 12.367 1.00 0.00 C ATOM 226 O GLY A 18 -32.477 -7.716 11.390 1.00 0.00 O ATOM 0 H GLY A 18 -32.978 -6.712 14.126 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -33.019 -9.634 13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -34.218 -8.761 12.987 1.00 0.00 H new ATOM 230 N ALA A 19 -31.005 -8.966 12.545 1.00 0.00 N ATOM 231 CA ALA A 19 -29.928 -8.786 11.580 1.00 0.00 C ATOM 232 C ALA A 19 -29.192 -10.098 11.327 1.00 0.00 C ATOM 233 O ALA A 19 -29.144 -10.970 12.193 1.00 0.00 O ATOM 234 CB ALA A 19 -28.958 -7.719 12.065 1.00 0.00 C ATOM 0 H ALA A 19 -30.759 -9.543 13.349 1.00 0.00 H new ATOM 0 HA ALA A 19 -30.368 -8.460 10.638 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -28.159 -7.595 11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -29.488 -6.774 12.187 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -28.532 -8.022 13.021 1.00 0.00 H new ATOM 240 N GLY A 20 -28.621 -10.230 10.134 1.00 0.00 N ATOM 241 CA GLY A 20 -27.896 -11.439 9.788 1.00 0.00 C ATOM 242 C GLY A 20 -28.122 -11.860 8.350 1.00 0.00 C ATOM 243 O GLY A 20 -29.262 -11.980 7.902 1.00 0.00 O ATOM 0 H GLY A 20 -28.647 -9.521 9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -26.830 -11.280 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -28.204 -12.246 10.452 1.00 0.00 H new ATOM 247 N SER A 21 -27.032 -12.082 7.622 1.00 0.00 N ATOM 248 CA SER A 21 -27.116 -12.486 6.223 1.00 0.00 C ATOM 249 C SER A 21 -25.787 -13.062 5.744 1.00 0.00 C ATOM 250 O SER A 21 -24.739 -12.813 6.338 1.00 0.00 O ATOM 251 CB SER A 21 -27.513 -11.295 5.350 1.00 0.00 C ATOM 252 OG SER A 21 -28.922 -11.197 5.230 1.00 0.00 O ATOM 0 H SER A 21 -26.081 -11.989 7.978 1.00 0.00 H new ATOM 0 HA SER A 21 -27.879 -13.260 6.138 1.00 0.00 H new ATOM 0 HB2 SER A 21 -27.117 -10.376 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 21 -27.067 -11.401 4.361 1.00 0.00 H new ATOM 0 HG SER A 21 -29.342 -11.466 6.074 1.00 0.00 H new ATOM 258 N ALA A 22 -25.840 -13.834 4.663 1.00 0.00 N ATOM 259 CA ALA A 22 -24.641 -14.445 4.102 1.00 0.00 C ATOM 260 C ALA A 22 -23.780 -13.409 3.387 1.00 0.00 C ATOM 261 O ALA A 22 -24.238 -12.742 2.459 1.00 0.00 O ATOM 262 CB ALA A 22 -25.019 -15.568 3.147 1.00 0.00 C ATOM 0 H ALA A 22 -26.700 -14.051 4.159 1.00 0.00 H new ATOM 0 HA ALA A 22 -24.057 -14.861 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -24.114 -16.015 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -25.587 -16.327 3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -25.627 -15.167 2.336 1.00 0.00 H new ATOM 268 N GLN A 23 -22.533 -13.278 3.827 1.00 0.00 N ATOM 269 CA GLN A 23 -21.609 -12.321 3.229 1.00 0.00 C ATOM 270 C GLN A 23 -20.279 -12.987 2.891 1.00 0.00 C ATOM 271 O GLN A 23 -19.566 -13.456 3.778 1.00 0.00 O ATOM 272 CB GLN A 23 -21.377 -11.144 4.178 1.00 0.00 C ATOM 273 CG GLN A 23 -22.427 -10.051 4.059 1.00 0.00 C ATOM 274 CD GLN A 23 -23.599 -10.263 4.996 1.00 0.00 C ATOM 275 OE1 GLN A 23 -24.670 -10.706 4.580 1.00 0.00 O ATOM 276 NE2 GLN A 23 -23.403 -9.946 6.271 1.00 0.00 N ATOM 0 H GLN A 23 -22.139 -13.822 4.595 1.00 0.00 H new ATOM 0 HA GLN A 23 -22.054 -11.952 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.363 -11.512 5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -20.395 -10.716 3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -21.967 -9.086 4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.790 -10.012 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.499 -9.582 6.573 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.156 -10.067 6.948 1.00 0.00 H new ATOM 285 N ARG A 24 -19.952 -13.023 1.604 1.00 0.00 N ATOM 286 CA ARG A 24 -18.708 -13.633 1.148 1.00 0.00 C ATOM 287 C ARG A 24 -17.810 -12.598 0.477 1.00 0.00 C ATOM 288 O ARG A 24 -16.885 -12.947 -0.256 1.00 0.00 O ATOM 289 CB ARG A 24 -19.002 -14.776 0.176 1.00 0.00 C ATOM 290 CG ARG A 24 -17.817 -15.701 -0.053 1.00 0.00 C ATOM 291 CD ARG A 24 -17.865 -16.336 -1.434 1.00 0.00 C ATOM 292 NE ARG A 24 -17.976 -15.337 -2.493 1.00 0.00 N ATOM 293 CZ ARG A 24 -17.973 -15.635 -3.788 1.00 0.00 C ATOM 294 NH1 ARG A 24 -17.867 -16.897 -4.181 1.00 0.00 N ATOM 295 NH2 ARG A 24 -18.078 -14.670 -4.692 1.00 0.00 N ATOM 0 H ARG A 24 -20.531 -12.637 0.858 1.00 0.00 H new ATOM 0 HA ARG A 24 -18.187 -14.031 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.839 -15.360 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.315 -14.357 -0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -16.889 -15.140 0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -17.811 -16.482 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.966 -16.931 -1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -18.713 -17.019 -1.490 1.00 0.00 H new ATOM 0 HE ARG A 24 -18.060 -14.357 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -17.788 -17.642 -3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -17.865 -17.123 -5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.161 -13.698 -4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -18.076 -14.900 -5.686 1.00 0.00 H new ATOM 309 N MET A 25 -18.089 -11.324 0.733 1.00 0.00 N ATOM 310 CA MET A 25 -17.305 -10.239 0.155 1.00 0.00 C ATOM 311 C MET A 25 -15.951 -10.118 0.846 1.00 0.00 C ATOM 312 O MET A 25 -15.781 -10.504 2.002 1.00 0.00 O ATOM 313 CB MET A 25 -18.067 -8.917 0.264 1.00 0.00 C ATOM 314 CG MET A 25 -17.860 -8.204 1.590 1.00 0.00 C ATOM 315 SD MET A 25 -18.516 -9.135 2.989 1.00 0.00 S ATOM 316 CE MET A 25 -17.181 -8.956 4.170 1.00 0.00 C ATOM 0 H MET A 25 -18.852 -11.018 1.337 1.00 0.00 H new ATOM 0 HA MET A 25 -17.136 -10.467 -0.897 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.753 -8.259 -0.546 1.00 0.00 H new ATOM 0 HB3 MET A 25 -19.131 -9.108 0.126 1.00 0.00 H new ATOM 0 HG2 MET A 25 -16.795 -8.030 1.742 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.341 -7.226 1.551 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.760 -9.936 4.394 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.406 -8.316 3.749 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.564 -8.507 5.087 1.00 0.00 H new ATOM 326 N PRO A 26 -14.963 -9.570 0.123 1.00 0.00 N ATOM 327 CA PRO A 26 -13.607 -9.385 0.647 1.00 0.00 C ATOM 328 C PRO A 26 -13.544 -8.311 1.727 1.00 0.00 C ATOM 329 O PRO A 26 -14.327 -7.360 1.718 1.00 0.00 O ATOM 330 CB PRO A 26 -12.807 -8.953 -0.584 1.00 0.00 C ATOM 331 CG PRO A 26 -13.813 -8.336 -1.493 1.00 0.00 C ATOM 332 CD PRO A 26 -15.095 -9.088 -1.263 1.00 0.00 C ATOM 0 HA PRO A 26 -13.228 -10.289 1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.025 -8.242 -0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.317 -9.804 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.938 -7.275 -1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.497 -8.412 -2.534 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.966 -8.444 -1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.209 -9.913 -1.966 1.00 0.00 H new ATOM 340 N LEU A 27 -12.609 -8.468 2.657 1.00 0.00 N ATOM 341 CA LEU A 27 -12.444 -7.511 3.746 1.00 0.00 C ATOM 342 C LEU A 27 -11.263 -6.582 3.479 1.00 0.00 C ATOM 343 O LEU A 27 -10.118 -7.026 3.392 1.00 0.00 O ATOM 344 CB LEU A 27 -12.239 -8.246 5.071 1.00 0.00 C ATOM 345 CG LEU A 27 -12.883 -7.604 6.301 1.00 0.00 C ATOM 346 CD1 LEU A 27 -12.407 -6.169 6.465 1.00 0.00 C ATOM 347 CD2 LEU A 27 -14.400 -7.656 6.197 1.00 0.00 C ATOM 0 H LEU A 27 -11.953 -9.249 2.679 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.351 -6.909 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.631 -9.258 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.168 -8.336 5.252 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.580 -8.169 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.876 -5.729 7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.324 -6.157 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.680 -5.592 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.841 -7.195 7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.722 -7.116 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.725 -8.694 6.129 1.00 0.00 H new ATOM 359 N CYS A 28 -11.550 -5.291 3.353 1.00 0.00 N ATOM 360 CA CYS A 28 -10.513 -4.298 3.099 1.00 0.00 C ATOM 361 C CYS A 28 -9.381 -4.422 4.114 1.00 0.00 C ATOM 362 O CYS A 28 -9.576 -4.195 5.308 1.00 0.00 O ATOM 363 CB CYS A 28 -11.105 -2.888 3.148 1.00 0.00 C ATOM 364 SG CYS A 28 -9.998 -1.595 2.499 1.00 0.00 S ATOM 0 H CYS A 28 -12.493 -4.908 3.423 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.107 -4.480 2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.034 -2.875 2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.361 -2.648 4.180 1.00 0.00 H new ATOM 369 N ASP A 29 -8.197 -4.783 3.631 1.00 0.00 N ATOM 370 CA ASP A 29 -7.032 -4.936 4.495 1.00 0.00 C ATOM 371 C ASP A 29 -6.522 -3.578 4.964 1.00 0.00 C ATOM 372 O ASP A 29 -5.533 -3.491 5.692 1.00 0.00 O ATOM 373 CB ASP A 29 -5.921 -5.687 3.760 1.00 0.00 C ATOM 374 CG ASP A 29 -4.903 -6.288 4.709 1.00 0.00 C ATOM 375 OD1 ASP A 29 -5.103 -7.443 5.139 1.00 0.00 O ATOM 376 OD2 ASP A 29 -3.907 -5.603 5.023 1.00 0.00 O ATOM 0 H ASP A 29 -8.019 -4.975 2.645 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.332 -5.513 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.361 -6.479 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.417 -5.005 3.075 1.00 0.00 H new ATOM 381 N LYS A 30 -7.202 -2.517 4.541 1.00 0.00 N ATOM 382 CA LYS A 30 -6.818 -1.162 4.917 1.00 0.00 C ATOM 383 C LYS A 30 -7.654 -0.667 6.093 1.00 0.00 C ATOM 384 O LYS A 30 -7.115 -0.268 7.126 1.00 0.00 O ATOM 385 CB LYS A 30 -6.983 -0.215 3.726 1.00 0.00 C ATOM 386 CG LYS A 30 -6.588 1.220 4.031 1.00 0.00 C ATOM 387 CD LYS A 30 -5.164 1.512 3.589 1.00 0.00 C ATOM 388 CE LYS A 30 -4.645 2.805 4.200 1.00 0.00 C ATOM 389 NZ LYS A 30 -5.281 4.003 3.585 1.00 0.00 N ATOM 0 H LYS A 30 -8.022 -2.570 3.937 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.771 -1.178 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.379 -0.581 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.022 -0.235 3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.273 1.902 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.683 1.405 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.515 0.685 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.126 1.581 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.837 2.802 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.564 2.860 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.567 4.748 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.682 3.747 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.039 4.351 4.207 1.00 0.00 H new ATOM 403 N CYS A 31 -8.972 -0.695 5.930 1.00 0.00 N ATOM 404 CA CYS A 31 -9.882 -0.251 6.979 1.00 0.00 C ATOM 405 C CYS A 31 -10.677 -1.425 7.543 1.00 0.00 C ATOM 406 O CYS A 31 -11.682 -1.236 8.228 1.00 0.00 O ATOM 407 CB CYS A 31 -10.839 0.813 6.435 1.00 0.00 C ATOM 408 SG CYS A 31 -12.018 0.188 5.196 1.00 0.00 S ATOM 0 H CYS A 31 -9.434 -1.021 5.081 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.287 0.181 7.783 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.397 1.244 7.266 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.255 1.619 5.991 1.00 0.00 H new ATOM 413 N GLY A 32 -10.219 -2.638 7.250 1.00 0.00 N ATOM 414 CA GLY A 32 -10.899 -3.825 7.736 1.00 0.00 C ATOM 415 C GLY A 32 -12.406 -3.669 7.740 1.00 0.00 C ATOM 416 O GLY A 32 -13.073 -4.044 8.704 1.00 0.00 O ATOM 0 H GLY A 32 -9.390 -2.820 6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.627 -4.677 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.557 -4.048 8.747 1.00 0.00 H new ATOM 420 N SER A 33 -12.945 -3.112 6.659 1.00 0.00 N ATOM 421 CA SER A 33 -14.383 -2.903 6.544 1.00 0.00 C ATOM 422 C SER A 33 -14.946 -3.647 5.337 1.00 0.00 C ATOM 423 O SER A 33 -14.421 -3.543 4.229 1.00 0.00 O ATOM 424 CB SER A 33 -14.695 -1.409 6.427 1.00 0.00 C ATOM 425 OG SER A 33 -15.957 -1.106 6.994 1.00 0.00 O ATOM 0 H SER A 33 -12.407 -2.798 5.851 1.00 0.00 H new ATOM 0 HA SER A 33 -14.855 -3.297 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.919 -0.832 6.930 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.684 -1.113 5.378 1.00 0.00 H new ATOM 0 HG SER A 33 -16.132 -0.146 6.908 1.00 0.00 H new ATOM 431 N GLY A 34 -16.019 -4.399 5.561 1.00 0.00 N ATOM 432 CA GLY A 34 -16.637 -5.151 4.484 1.00 0.00 C ATOM 433 C GLY A 34 -16.687 -4.369 3.186 1.00 0.00 C ATOM 434 O GLY A 34 -16.974 -3.171 3.186 1.00 0.00 O ATOM 0 H GLY A 34 -16.472 -4.501 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.083 -6.076 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.649 -5.432 4.775 1.00 0.00 H new ATOM 438 N ILE A 35 -16.405 -5.045 2.078 1.00 0.00 N ATOM 439 CA ILE A 35 -16.418 -4.406 0.768 1.00 0.00 C ATOM 440 C ILE A 35 -17.598 -4.890 -0.068 1.00 0.00 C ATOM 441 O ILE A 35 -17.788 -6.092 -0.256 1.00 0.00 O ATOM 442 CB ILE A 35 -15.113 -4.674 -0.003 1.00 0.00 C ATOM 443 CG1 ILE A 35 -13.907 -4.206 0.814 1.00 0.00 C ATOM 444 CG2 ILE A 35 -15.144 -3.979 -1.356 1.00 0.00 C ATOM 445 CD1 ILE A 35 -12.600 -4.826 0.372 1.00 0.00 C ATOM 0 H ILE A 35 -16.164 -6.036 2.061 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.514 -3.334 0.941 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.021 -5.747 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.828 -3.121 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.076 -4.444 1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.214 -4.178 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -15.984 -4.356 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.256 -2.905 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.789 -4.449 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.660 -5.910 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.408 -4.567 -0.669 1.00 0.00 H new ATOM 457 N VAL A 36 -18.388 -3.946 -0.569 1.00 0.00 N ATOM 458 CA VAL A 36 -19.548 -4.276 -1.388 1.00 0.00 C ATOM 459 C VAL A 36 -19.916 -3.120 -2.311 1.00 0.00 C ATOM 460 O VAL A 36 -20.217 -2.018 -1.854 1.00 0.00 O ATOM 461 CB VAL A 36 -20.768 -4.631 -0.517 1.00 0.00 C ATOM 462 CG1 VAL A 36 -20.968 -3.588 0.571 1.00 0.00 C ATOM 463 CG2 VAL A 36 -22.016 -4.763 -1.377 1.00 0.00 C ATOM 0 H VAL A 36 -18.246 -2.947 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.275 -5.144 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 36 -20.583 -5.592 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -21.834 -3.855 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.081 -3.548 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -21.132 -2.612 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -22.868 -5.014 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -22.208 -3.819 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -21.867 -5.551 -2.116 1.00 0.00 H new ATOM 473 N GLY A 37 -19.890 -3.379 -3.615 1.00 0.00 N ATOM 474 CA GLY A 37 -20.223 -2.350 -4.583 1.00 0.00 C ATOM 475 C GLY A 37 -19.050 -1.989 -5.473 1.00 0.00 C ATOM 476 O GLY A 37 -19.171 -1.980 -6.697 1.00 0.00 O ATOM 0 H GLY A 37 -19.644 -4.283 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.052 -2.692 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.564 -1.458 -4.058 1.00 0.00 H new ATOM 480 N ALA A 38 -17.911 -1.690 -4.856 1.00 0.00 N ATOM 481 CA ALA A 38 -16.712 -1.328 -5.600 1.00 0.00 C ATOM 482 C ALA A 38 -15.452 -1.671 -4.812 1.00 0.00 C ATOM 483 O ALA A 38 -15.294 -1.257 -3.664 1.00 0.00 O ATOM 484 CB ALA A 38 -16.733 0.154 -5.945 1.00 0.00 C ATOM 0 H ALA A 38 -17.794 -1.692 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.700 -1.906 -6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.831 0.411 -6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.610 0.373 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.773 0.741 -5.027 1.00 0.00 H new ATOM 490 N VAL A 39 -14.558 -2.432 -5.437 1.00 0.00 N ATOM 491 CA VAL A 39 -13.312 -2.831 -4.794 1.00 0.00 C ATOM 492 C VAL A 39 -12.140 -2.740 -5.764 1.00 0.00 C ATOM 493 O VAL A 39 -12.329 -2.583 -6.970 1.00 0.00 O ATOM 494 CB VAL A 39 -13.399 -4.267 -4.244 1.00 0.00 C ATOM 495 CG1 VAL A 39 -12.936 -5.269 -5.291 1.00 0.00 C ATOM 496 CG2 VAL A 39 -12.581 -4.400 -2.969 1.00 0.00 C ATOM 0 H VAL A 39 -14.674 -2.784 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 39 -13.148 -2.142 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.440 -4.483 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.004 -6.278 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.569 -5.190 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.902 -5.058 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.654 -5.421 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.538 -4.165 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.964 -3.710 -2.217 1.00 0.00 H new ATOM 506 N VAL A 40 -10.927 -2.841 -5.229 1.00 0.00 N ATOM 507 CA VAL A 40 -9.722 -2.772 -6.048 1.00 0.00 C ATOM 508 C VAL A 40 -8.712 -3.834 -5.630 1.00 0.00 C ATOM 509 O VAL A 40 -8.012 -3.682 -4.628 1.00 0.00 O ATOM 510 CB VAL A 40 -9.060 -1.385 -5.956 1.00 0.00 C ATOM 511 CG1 VAL A 40 -7.744 -1.369 -6.719 1.00 0.00 C ATOM 512 CG2 VAL A 40 -10.001 -0.310 -6.478 1.00 0.00 C ATOM 0 H VAL A 40 -10.753 -2.971 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.029 -2.952 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.847 -1.172 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.291 -0.381 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.068 -2.112 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.928 -1.603 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.517 0.664 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.247 -0.516 -7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.915 -0.306 -5.883 1.00 0.00 H new ATOM 522 N LYS A 41 -8.640 -4.912 -6.404 1.00 0.00 N ATOM 523 CA LYS A 41 -7.714 -6.001 -6.116 1.00 0.00 C ATOM 524 C LYS A 41 -6.527 -5.973 -7.074 1.00 0.00 C ATOM 525 O LYS A 41 -6.699 -6.032 -8.291 1.00 0.00 O ATOM 526 CB LYS A 41 -8.433 -7.349 -6.216 1.00 0.00 C ATOM 527 CG LYS A 41 -7.537 -8.481 -6.688 1.00 0.00 C ATOM 528 CD LYS A 41 -8.344 -9.721 -7.038 1.00 0.00 C ATOM 529 CE LYS A 41 -7.513 -10.986 -6.891 1.00 0.00 C ATOM 530 NZ LYS A 41 -8.078 -12.116 -7.680 1.00 0.00 N ATOM 0 H LYS A 41 -9.212 -5.055 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.342 -5.870 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.845 -7.605 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.275 -7.253 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.969 -8.157 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.814 -8.724 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.219 -9.782 -6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.710 -9.641 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.492 -10.790 -7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.462 -11.267 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.483 -12.960 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.043 -12.321 -7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.103 -11.858 -8.687 1.00 0.00 H new ATOM 544 N ALA A 42 -5.324 -5.885 -6.516 1.00 0.00 N ATOM 545 CA ALA A 42 -4.109 -5.853 -7.320 1.00 0.00 C ATOM 546 C ALA A 42 -3.660 -7.262 -7.691 1.00 0.00 C ATOM 547 O ALA A 42 -3.892 -7.724 -8.808 1.00 0.00 O ATOM 548 CB ALA A 42 -3.002 -5.122 -6.575 1.00 0.00 C ATOM 0 H ALA A 42 -5.165 -5.835 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.327 -5.315 -8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.100 -5.106 -7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.317 -4.100 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.794 -5.636 -5.637 1.00 0.00 H new ATOM 554 N ARG A 43 -3.014 -7.940 -6.747 1.00 0.00 N ATOM 555 CA ARG A 43 -2.530 -9.296 -6.976 1.00 0.00 C ATOM 556 C ARG A 43 -3.504 -10.324 -6.409 1.00 0.00 C ATOM 557 O ARG A 43 -4.357 -10.848 -7.125 1.00 0.00 O ATOM 558 CB ARG A 43 -1.150 -9.481 -6.343 1.00 0.00 C ATOM 559 CG ARG A 43 -0.550 -10.857 -6.582 1.00 0.00 C ATOM 560 CD ARG A 43 0.341 -10.871 -7.814 1.00 0.00 C ATOM 561 NE ARG A 43 0.440 -12.203 -8.403 1.00 0.00 N ATOM 562 CZ ARG A 43 1.169 -13.184 -7.883 1.00 0.00 C ATOM 563 NH1 ARG A 43 1.858 -12.984 -6.768 1.00 0.00 N ATOM 564 NH2 ARG A 43 1.209 -14.370 -8.478 1.00 0.00 N ATOM 0 H ARG A 43 -2.814 -7.572 -5.817 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.452 -9.450 -8.052 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.473 -8.725 -6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.226 -9.308 -5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.029 -11.159 -5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.350 -11.588 -6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.054 -10.176 -8.555 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.337 -10.519 -7.545 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.079 -12.391 -9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.829 -12.075 -6.307 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.417 -13.740 -6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.680 -14.529 -9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.769 -15.123 -8.078 1.00 0.00 H new ATOM 578 N ASP A 44 -3.370 -10.608 -5.118 1.00 0.00 N ATOM 579 CA ASP A 44 -4.238 -11.573 -4.453 1.00 0.00 C ATOM 580 C ASP A 44 -5.044 -10.905 -3.343 1.00 0.00 C ATOM 581 O ASP A 44 -6.008 -11.475 -2.832 1.00 0.00 O ATOM 582 CB ASP A 44 -3.412 -12.724 -3.879 1.00 0.00 C ATOM 583 CG ASP A 44 -2.458 -13.317 -4.898 1.00 0.00 C ATOM 584 OD1 ASP A 44 -2.884 -13.540 -6.050 1.00 0.00 O ATOM 585 OD2 ASP A 44 -1.285 -13.557 -4.543 1.00 0.00 O ATOM 0 H ASP A 44 -2.669 -10.184 -4.511 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.933 -11.969 -5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.845 -12.367 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.083 -13.503 -3.517 1.00 0.00 H new ATOM 590 N LYS A 45 -4.641 -9.694 -2.973 1.00 0.00 N ATOM 591 CA LYS A 45 -5.324 -8.947 -1.924 1.00 0.00 C ATOM 592 C LYS A 45 -6.399 -8.041 -2.513 1.00 0.00 C ATOM 593 O LYS A 45 -6.518 -7.913 -3.732 1.00 0.00 O ATOM 594 CB LYS A 45 -4.319 -8.113 -1.127 1.00 0.00 C ATOM 595 CG LYS A 45 -3.674 -8.870 0.021 1.00 0.00 C ATOM 596 CD LYS A 45 -3.119 -7.923 1.072 1.00 0.00 C ATOM 597 CE LYS A 45 -1.883 -7.194 0.568 1.00 0.00 C ATOM 598 NZ LYS A 45 -0.640 -7.979 0.809 1.00 0.00 N ATOM 0 H LYS A 45 -3.844 -9.209 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.804 -9.663 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.539 -7.758 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.824 -7.232 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.408 -9.533 0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.871 -9.500 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.883 -7.197 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.870 -8.483 1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.987 -6.997 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.804 -6.227 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.180 -7.449 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.527 -8.145 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.704 -8.892 0.314 1.00 0.00 H new ATOM 612 N TYR A 46 -7.180 -7.412 -1.641 1.00 0.00 N ATOM 613 CA TYR A 46 -8.246 -6.518 -2.076 1.00 0.00 C ATOM 614 C TYR A 46 -8.239 -5.227 -1.263 1.00 0.00 C ATOM 615 O TYR A 46 -7.941 -5.234 -0.068 1.00 0.00 O ATOM 616 CB TYR A 46 -9.604 -7.209 -1.946 1.00 0.00 C ATOM 617 CG TYR A 46 -9.721 -8.474 -2.765 1.00 0.00 C ATOM 618 CD1 TYR A 46 -8.904 -9.569 -2.508 1.00 0.00 C ATOM 619 CD2 TYR A 46 -10.647 -8.575 -3.796 1.00 0.00 C ATOM 620 CE1 TYR A 46 -9.007 -10.727 -3.254 1.00 0.00 C ATOM 621 CE2 TYR A 46 -10.757 -9.730 -4.546 1.00 0.00 C ATOM 622 CZ TYR A 46 -9.935 -10.803 -4.272 1.00 0.00 C ATOM 623 OH TYR A 46 -10.041 -11.954 -5.018 1.00 0.00 O ATOM 0 H TYR A 46 -7.094 -7.505 -0.629 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.072 -6.268 -3.123 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.782 -7.447 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.386 -6.514 -2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.177 -9.513 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.292 -7.737 -4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.364 -11.569 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.483 -9.792 -5.343 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.743 -11.843 -5.693 1.00 0.00 H new ATOM 633 N ARG A 47 -8.571 -4.120 -1.919 1.00 0.00 N ATOM 634 CA ARG A 47 -8.604 -2.820 -1.259 1.00 0.00 C ATOM 635 C ARG A 47 -9.704 -1.940 -1.845 1.00 0.00 C ATOM 636 O ARG A 47 -9.994 -2.004 -3.040 1.00 0.00 O ATOM 637 CB ARG A 47 -7.250 -2.121 -1.396 1.00 0.00 C ATOM 638 CG ARG A 47 -6.097 -2.901 -0.784 1.00 0.00 C ATOM 639 CD ARG A 47 -5.838 -2.477 0.653 1.00 0.00 C ATOM 640 NE ARG A 47 -4.663 -3.138 1.215 1.00 0.00 N ATOM 641 CZ ARG A 47 -3.442 -2.617 1.185 1.00 0.00 C ATOM 642 NH1 ARG A 47 -3.236 -1.433 0.624 1.00 0.00 N ATOM 643 NH2 ARG A 47 -2.423 -3.279 1.719 1.00 0.00 N ATOM 0 H ARG A 47 -8.821 -4.097 -2.908 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.817 -2.982 -0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.043 -1.952 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.307 -1.141 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.321 -3.967 -0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.196 -2.747 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.700 -1.397 0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.711 -2.710 1.263 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.787 -4.050 1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.017 -0.920 0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.297 -1.035 0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.577 -4.189 2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.486 -2.878 1.695 1.00 0.00 H new ATOM 657 N HIS A 48 -10.313 -1.119 -0.995 1.00 0.00 N ATOM 658 CA HIS A 48 -11.382 -0.226 -1.429 1.00 0.00 C ATOM 659 C HIS A 48 -10.899 0.697 -2.543 1.00 0.00 C ATOM 660 O HIS A 48 -9.701 0.872 -2.762 1.00 0.00 O ATOM 661 CB HIS A 48 -11.893 0.602 -0.249 1.00 0.00 C ATOM 662 CG HIS A 48 -13.009 -0.053 0.504 1.00 0.00 C ATOM 663 ND1 HIS A 48 -13.076 -0.076 1.881 1.00 0.00 N ATOM 664 CD2 HIS A 48 -14.108 -0.711 0.064 1.00 0.00 C ATOM 665 CE1 HIS A 48 -14.167 -0.720 2.256 1.00 0.00 C ATOM 666 NE2 HIS A 48 -14.811 -1.116 1.172 1.00 0.00 N ATOM 0 H HIS A 48 -10.085 -1.054 -0.003 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.198 -0.836 -1.815 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.066 0.792 0.436 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.233 1.571 -0.616 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.381 -0.885 -0.966 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.479 -0.893 3.275 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.688 -1.638 1.160 1.00 0.00 H new ATOM 674 N PRO A 49 -11.854 1.303 -3.266 1.00 0.00 N ATOM 675 CA PRO A 49 -11.550 2.218 -4.370 1.00 0.00 C ATOM 676 C PRO A 49 -10.947 3.532 -3.884 1.00 0.00 C ATOM 677 O PRO A 49 -10.452 4.329 -4.680 1.00 0.00 O ATOM 678 CB PRO A 49 -12.917 2.463 -5.014 1.00 0.00 C ATOM 679 CG PRO A 49 -13.900 2.219 -3.921 1.00 0.00 C ATOM 680 CD PRO A 49 -13.303 1.140 -3.060 1.00 0.00 C ATOM 0 HA PRO A 49 -10.810 1.801 -5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.997 3.480 -5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.085 1.790 -5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.075 3.127 -3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.863 1.908 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.577 1.264 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.643 0.150 -3.363 1.00 0.00 H new ATOM 688 N GLU A 50 -10.992 3.750 -2.574 1.00 0.00 N ATOM 689 CA GLU A 50 -10.450 4.968 -1.984 1.00 0.00 C ATOM 690 C GLU A 50 -9.309 4.646 -1.023 1.00 0.00 C ATOM 691 O GLU A 50 -8.431 5.476 -0.784 1.00 0.00 O ATOM 692 CB GLU A 50 -11.549 5.737 -1.247 1.00 0.00 C ATOM 693 CG GLU A 50 -12.036 5.045 0.014 1.00 0.00 C ATOM 694 CD GLU A 50 -13.039 5.879 0.788 1.00 0.00 C ATOM 695 OE1 GLU A 50 -13.964 6.432 0.157 1.00 0.00 O ATOM 696 OE2 GLU A 50 -12.899 5.978 2.025 1.00 0.00 O ATOM 0 H GLU A 50 -11.398 3.100 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.059 5.589 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.175 6.727 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.393 5.882 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.491 4.091 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.183 4.823 0.655 1.00 0.00 H new ATOM 703 N CYS A 51 -9.328 3.436 -0.475 1.00 0.00 N ATOM 704 CA CYS A 51 -8.297 3.003 0.460 1.00 0.00 C ATOM 705 C CYS A 51 -6.983 2.731 -0.267 1.00 0.00 C ATOM 706 O CYS A 51 -5.902 2.938 0.283 1.00 0.00 O ATOM 707 CB CYS A 51 -8.750 1.746 1.205 1.00 0.00 C ATOM 708 SG CYS A 51 -10.066 2.041 2.430 1.00 0.00 S ATOM 0 H CYS A 51 -10.047 2.737 -0.663 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.134 3.805 1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.102 1.013 0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.890 1.306 1.710 1.00 0.00 H new ATOM 713 N PHE A 52 -7.085 2.265 -1.508 1.00 0.00 N ATOM 714 CA PHE A 52 -5.906 1.964 -2.311 1.00 0.00 C ATOM 715 C PHE A 52 -4.953 3.155 -2.346 1.00 0.00 C ATOM 716 O PHE A 52 -5.178 4.123 -3.073 1.00 0.00 O ATOM 717 CB PHE A 52 -6.316 1.582 -3.734 1.00 0.00 C ATOM 718 CG PHE A 52 -5.437 0.531 -4.350 1.00 0.00 C ATOM 719 CD1 PHE A 52 -5.141 -0.634 -3.661 1.00 0.00 C ATOM 720 CD2 PHE A 52 -4.907 0.707 -5.618 1.00 0.00 C ATOM 721 CE1 PHE A 52 -4.332 -1.603 -4.225 1.00 0.00 C ATOM 722 CE2 PHE A 52 -4.098 -0.258 -6.187 1.00 0.00 C ATOM 723 CZ PHE A 52 -3.811 -1.415 -5.490 1.00 0.00 C ATOM 0 H PHE A 52 -7.972 2.088 -1.979 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.389 1.122 -1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.345 1.223 -3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.296 2.474 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.547 -0.787 -2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.129 1.609 -6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.108 -2.506 -3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.691 -0.107 -7.176 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.180 -2.171 -5.933 1.00 0.00 H new ATOM 733 N VAL A 53 -3.888 3.077 -1.555 1.00 0.00 N ATOM 734 CA VAL A 53 -2.900 4.147 -1.495 1.00 0.00 C ATOM 735 C VAL A 53 -1.563 3.633 -0.973 1.00 0.00 C ATOM 736 O VAL A 53 -1.444 2.474 -0.573 1.00 0.00 O ATOM 737 CB VAL A 53 -3.378 5.303 -0.598 1.00 0.00 C ATOM 738 CG1 VAL A 53 -4.722 5.831 -1.077 1.00 0.00 C ATOM 739 CG2 VAL A 53 -3.460 4.853 0.853 1.00 0.00 C ATOM 0 H VAL A 53 -3.687 2.283 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.772 4.516 -2.513 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.652 6.113 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.043 6.648 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.626 6.194 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.460 5.030 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.800 5.683 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.164 4.025 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.475 4.528 1.189 1.00 0.00 H new ATOM 749 N CYS A 54 -0.558 4.502 -0.979 1.00 0.00 N ATOM 750 CA CYS A 54 0.772 4.137 -0.506 1.00 0.00 C ATOM 751 C CYS A 54 0.782 3.968 1.011 1.00 0.00 C ATOM 752 O CYS A 54 -0.168 4.347 1.695 1.00 0.00 O ATOM 753 CB CYS A 54 1.793 5.199 -0.918 1.00 0.00 C ATOM 754 SG CYS A 54 3.528 4.689 -0.699 1.00 0.00 S ATOM 0 H CYS A 54 -0.639 5.465 -1.306 1.00 0.00 H new ATOM 0 HA CYS A 54 1.044 3.185 -0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.631 5.457 -1.965 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.615 6.103 -0.336 1.00 0.00 H new ATOM 759 N ALA A 55 1.864 3.396 1.530 1.00 0.00 N ATOM 760 CA ALA A 55 2.000 3.178 2.965 1.00 0.00 C ATOM 761 C ALA A 55 2.965 4.184 3.583 1.00 0.00 C ATOM 762 O ALA A 55 3.196 4.174 4.793 1.00 0.00 O ATOM 763 CB ALA A 55 2.466 1.757 3.242 1.00 0.00 C ATOM 0 H ALA A 55 2.659 3.075 0.978 1.00 0.00 H new ATOM 0 HA ALA A 55 1.022 3.323 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.563 1.609 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.738 1.051 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.432 1.591 2.764 1.00 0.00 H new ATOM 769 N ASP A 56 3.526 5.050 2.747 1.00 0.00 N ATOM 770 CA ASP A 56 4.467 6.063 3.212 1.00 0.00 C ATOM 771 C ASP A 56 3.930 7.466 2.947 1.00 0.00 C ATOM 772 O ASP A 56 4.091 8.369 3.767 1.00 0.00 O ATOM 773 CB ASP A 56 5.822 5.884 2.526 1.00 0.00 C ATOM 774 CG ASP A 56 6.968 6.422 3.360 1.00 0.00 C ATOM 775 OD1 ASP A 56 6.837 7.543 3.895 1.00 0.00 O ATOM 776 OD2 ASP A 56 7.997 5.724 3.476 1.00 0.00 O ATOM 0 H ASP A 56 3.346 5.071 1.743 1.00 0.00 H new ATOM 0 HA ASP A 56 4.594 5.939 4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.988 4.825 2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.808 6.392 1.562 1.00 0.00 H new ATOM 781 N CYS A 57 3.291 7.641 1.795 1.00 0.00 N ATOM 782 CA CYS A 57 2.731 8.934 1.419 1.00 0.00 C ATOM 783 C CYS A 57 1.216 8.845 1.259 1.00 0.00 C ATOM 784 O CYS A 57 0.531 9.862 1.161 1.00 0.00 O ATOM 785 CB CYS A 57 3.364 9.428 0.117 1.00 0.00 C ATOM 786 SG CYS A 57 3.206 8.265 -1.276 1.00 0.00 S ATOM 0 H CYS A 57 3.148 6.903 1.105 1.00 0.00 H new ATOM 0 HA CYS A 57 2.953 9.644 2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.904 10.376 -0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.421 9.627 0.292 1.00 0.00 H new ATOM 791 N ASN A 58 0.700 7.620 1.235 1.00 0.00 N ATOM 792 CA ASN A 58 -0.733 7.398 1.087 1.00 0.00 C ATOM 793 C ASN A 58 -1.229 7.922 -0.257 1.00 0.00 C ATOM 794 O ASN A 58 -2.268 8.580 -0.334 1.00 0.00 O ATOM 795 CB ASN A 58 -1.496 8.077 2.225 1.00 0.00 C ATOM 796 CG ASN A 58 -2.819 7.397 2.522 1.00 0.00 C ATOM 797 OD1 ASN A 58 -2.866 6.389 3.227 1.00 0.00 O ATOM 798 ND2 ASN A 58 -3.901 7.947 1.984 1.00 0.00 N ATOM 0 H ASN A 58 1.253 6.767 1.316 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.915 6.324 1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.880 8.075 3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.677 9.120 1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.819 7.534 2.149 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.814 8.783 1.406 1.00 0.00 H new ATOM 805 N LEU A 59 -0.481 7.627 -1.314 1.00 0.00 N ATOM 806 CA LEU A 59 -0.844 8.068 -2.656 1.00 0.00 C ATOM 807 C LEU A 59 -1.665 7.003 -3.376 1.00 0.00 C ATOM 808 O LEU A 59 -1.292 5.831 -3.403 1.00 0.00 O ATOM 809 CB LEU A 59 0.413 8.393 -3.465 1.00 0.00 C ATOM 810 CG LEU A 59 0.267 9.491 -4.520 1.00 0.00 C ATOM 811 CD1 LEU A 59 1.605 9.769 -5.189 1.00 0.00 C ATOM 812 CD2 LEU A 59 -0.778 9.101 -5.555 1.00 0.00 C ATOM 0 H LEU A 59 0.381 7.084 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.452 8.968 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.202 8.686 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.747 7.482 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.065 10.403 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.482 10.553 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.326 10.093 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.966 8.861 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.868 9.894 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.476 8.176 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.740 8.953 -5.063 1.00 0.00 H new ATOM 824 N ASN A 60 -2.784 7.420 -3.960 1.00 0.00 N ATOM 825 CA ASN A 60 -3.657 6.501 -4.682 1.00 0.00 C ATOM 826 C ASN A 60 -2.869 5.699 -5.713 1.00 0.00 C ATOM 827 O ASN A 60 -2.444 6.233 -6.739 1.00 0.00 O ATOM 828 CB ASN A 60 -4.784 7.272 -5.372 1.00 0.00 C ATOM 829 CG ASN A 60 -6.101 6.521 -5.343 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.639 6.148 -6.385 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.626 6.296 -4.144 1.00 0.00 N ATOM 0 H ASN A 60 -3.107 8.387 -3.947 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.089 5.807 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.910 8.239 -4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.505 7.470 -6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.511 5.795 -4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.144 6.624 -3.307 1.00 0.00 H new ATOM 838 N LEU A 61 -2.678 4.414 -5.435 1.00 0.00 N ATOM 839 CA LEU A 61 -1.942 3.537 -6.338 1.00 0.00 C ATOM 840 C LEU A 61 -2.883 2.871 -7.338 1.00 0.00 C ATOM 841 O LEU A 61 -2.512 1.909 -8.011 1.00 0.00 O ATOM 842 CB LEU A 61 -1.188 2.470 -5.543 1.00 0.00 C ATOM 843 CG LEU A 61 -0.353 2.976 -4.366 1.00 0.00 C ATOM 844 CD1 LEU A 61 0.184 1.809 -3.551 1.00 0.00 C ATOM 845 CD2 LEU A 61 0.788 3.854 -4.859 1.00 0.00 C ATOM 0 H LEU A 61 -3.023 3.956 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.225 4.145 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.912 1.748 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.529 1.934 -6.226 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.995 3.577 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.776 2.189 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.649 1.220 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.810 1.181 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.371 4.205 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.429 3.277 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.382 4.710 -5.398 1.00 0.00 H new ATOM 857 N LYS A 62 -4.102 3.391 -7.431 1.00 0.00 N ATOM 858 CA LYS A 62 -5.096 2.850 -8.351 1.00 0.00 C ATOM 859 C LYS A 62 -4.641 3.008 -9.798 1.00 0.00 C ATOM 860 O LYS A 62 -4.451 2.021 -10.509 1.00 0.00 O ATOM 861 CB LYS A 62 -6.442 3.551 -8.149 1.00 0.00 C ATOM 862 CG LYS A 62 -7.417 3.335 -9.293 1.00 0.00 C ATOM 863 CD LYS A 62 -8.100 1.981 -9.195 1.00 0.00 C ATOM 864 CE LYS A 62 -8.470 1.443 -10.569 1.00 0.00 C ATOM 865 NZ LYS A 62 -9.188 0.141 -10.480 1.00 0.00 N ATOM 0 H LYS A 62 -4.426 4.186 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.211 1.787 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.894 3.192 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.271 4.620 -8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.169 4.124 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.887 3.408 -10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.439 1.275 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.998 2.069 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.097 2.169 -11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.566 1.319 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.423 -0.192 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.580 -0.559 -10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.063 0.264 -9.932 1.00 0.00 H new ATOM 879 N GLN A 63 -4.467 4.254 -10.227 1.00 0.00 N ATOM 880 CA GLN A 63 -4.033 4.539 -11.589 1.00 0.00 C ATOM 881 C GLN A 63 -2.531 4.324 -11.738 1.00 0.00 C ATOM 882 O GLN A 63 -2.065 3.798 -12.749 1.00 0.00 O ATOM 883 CB GLN A 63 -4.396 5.975 -11.973 1.00 0.00 C ATOM 884 CG GLN A 63 -4.016 7.001 -10.917 1.00 0.00 C ATOM 885 CD GLN A 63 -4.063 8.422 -11.441 1.00 0.00 C ATOM 886 OE1 GLN A 63 -3.056 9.131 -11.438 1.00 0.00 O ATOM 887 NE2 GLN A 63 -5.236 8.847 -11.896 1.00 0.00 N ATOM 0 H GLN A 63 -4.620 5.082 -9.651 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.548 3.850 -12.259 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.899 6.229 -12.910 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.469 6.034 -12.155 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.692 6.909 -10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.012 6.786 -10.551 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.045 8.226 -11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.328 9.795 -12.262 1.00 0.00 H new ATOM 896 N LYS A 64 -1.776 4.736 -10.725 1.00 0.00 N ATOM 897 CA LYS A 64 -0.326 4.588 -10.742 1.00 0.00 C ATOM 898 C LYS A 64 0.076 3.134 -10.518 1.00 0.00 C ATOM 899 O LYS A 64 -0.562 2.415 -9.750 1.00 0.00 O ATOM 900 CB LYS A 64 0.310 5.475 -9.669 1.00 0.00 C ATOM 901 CG LYS A 64 -0.046 6.945 -9.806 1.00 0.00 C ATOM 902 CD LYS A 64 0.608 7.781 -8.718 1.00 0.00 C ATOM 903 CE LYS A 64 0.248 9.253 -8.854 1.00 0.00 C ATOM 904 NZ LYS A 64 1.317 10.137 -8.312 1.00 0.00 N ATOM 0 H LYS A 64 -2.145 5.175 -9.882 1.00 0.00 H new ATOM 0 HA LYS A 64 0.034 4.899 -11.723 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.004 5.124 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.394 5.366 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.270 7.307 -10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.128 7.064 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.294 7.417 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.690 7.664 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.078 9.490 -9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.687 9.449 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.892 10.853 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.997 9.567 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.809 10.609 -9.098 1.00 0.00 H new ATOM 918 N GLY A 65 1.139 2.707 -11.193 1.00 0.00 N ATOM 919 CA GLY A 65 1.608 1.341 -11.052 1.00 0.00 C ATOM 920 C GLY A 65 1.872 0.965 -9.608 1.00 0.00 C ATOM 921 O GLY A 65 2.888 1.358 -9.033 1.00 0.00 O ATOM 0 H GLY A 65 1.684 3.283 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.867 0.661 -11.472 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.523 1.213 -11.631 1.00 0.00 H new ATOM 925 N TYR A 66 0.957 0.203 -9.020 1.00 0.00 N ATOM 926 CA TYR A 66 1.095 -0.223 -7.632 1.00 0.00 C ATOM 927 C TYR A 66 2.325 -1.108 -7.453 1.00 0.00 C ATOM 928 O TYR A 66 2.923 -1.564 -8.428 1.00 0.00 O ATOM 929 CB TYR A 66 -0.158 -0.976 -7.181 1.00 0.00 C ATOM 930 CG TYR A 66 -0.258 -2.377 -7.742 1.00 0.00 C ATOM 931 CD1 TYR A 66 0.323 -3.453 -7.083 1.00 0.00 C ATOM 932 CD2 TYR A 66 -0.933 -2.623 -8.931 1.00 0.00 C ATOM 933 CE1 TYR A 66 0.235 -4.734 -7.593 1.00 0.00 C ATOM 934 CE2 TYR A 66 -1.028 -3.901 -9.447 1.00 0.00 C ATOM 935 CZ TYR A 66 -0.441 -4.953 -8.775 1.00 0.00 C ATOM 936 OH TYR A 66 -0.532 -6.228 -9.285 1.00 0.00 O ATOM 0 H TYR A 66 0.112 -0.132 -9.482 1.00 0.00 H new ATOM 0 HA TYR A 66 1.218 0.668 -7.016 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.168 -1.028 -6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.040 -0.410 -7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.852 -3.285 -6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.391 -1.801 -9.461 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.693 -5.560 -7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.559 -4.075 -10.371 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.041 -6.210 -10.122 1.00 0.00 H new ATOM 946 N PHE A 67 2.697 -1.345 -6.200 1.00 0.00 N ATOM 947 CA PHE A 67 3.857 -2.174 -5.891 1.00 0.00 C ATOM 948 C PHE A 67 3.597 -3.034 -4.657 1.00 0.00 C ATOM 949 O PHE A 67 2.734 -2.719 -3.837 1.00 0.00 O ATOM 950 CB PHE A 67 5.091 -1.299 -5.665 1.00 0.00 C ATOM 951 CG PHE A 67 5.806 -0.933 -6.934 1.00 0.00 C ATOM 952 CD1 PHE A 67 5.204 -0.111 -7.872 1.00 0.00 C ATOM 953 CD2 PHE A 67 7.081 -1.412 -7.189 1.00 0.00 C ATOM 954 CE1 PHE A 67 5.860 0.228 -9.041 1.00 0.00 C ATOM 955 CE2 PHE A 67 7.742 -1.076 -8.355 1.00 0.00 C ATOM 956 CZ PHE A 67 7.130 -0.256 -9.283 1.00 0.00 C ATOM 0 H PHE A 67 2.213 -0.975 -5.382 1.00 0.00 H new ATOM 0 HA PHE A 67 4.038 -2.832 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.790 -0.386 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.783 -1.823 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.210 0.270 -7.688 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.564 -2.055 -6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.379 0.871 -9.764 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.736 -1.454 -8.541 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.644 0.006 -10.196 1.00 0.00 H new ATOM 966 N PHE A 68 4.349 -4.123 -4.533 1.00 0.00 N ATOM 967 CA PHE A 68 4.200 -5.030 -3.401 1.00 0.00 C ATOM 968 C PHE A 68 5.550 -5.310 -2.747 1.00 0.00 C ATOM 969 O PHE A 68 6.346 -6.100 -3.254 1.00 0.00 O ATOM 970 CB PHE A 68 3.558 -6.343 -3.854 1.00 0.00 C ATOM 971 CG PHE A 68 2.059 -6.343 -3.755 1.00 0.00 C ATOM 972 CD1 PHE A 68 1.432 -6.135 -2.537 1.00 0.00 C ATOM 973 CD2 PHE A 68 1.277 -6.552 -4.880 1.00 0.00 C ATOM 974 CE1 PHE A 68 0.053 -6.135 -2.442 1.00 0.00 C ATOM 975 CE2 PHE A 68 -0.102 -6.552 -4.791 1.00 0.00 C ATOM 976 CZ PHE A 68 -0.715 -6.344 -3.571 1.00 0.00 C ATOM 0 H PHE A 68 5.068 -4.399 -5.202 1.00 0.00 H new ATOM 0 HA PHE A 68 3.553 -4.551 -2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.846 -6.542 -4.886 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.954 -7.159 -3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.028 -5.971 -1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.751 -6.717 -5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.423 -5.972 -1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.700 -6.715 -5.675 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.793 -6.345 -3.500 1.00 0.00 H new ATOM 986 N VAL A 69 5.800 -4.655 -1.617 1.00 0.00 N ATOM 987 CA VAL A 69 7.052 -4.833 -0.892 1.00 0.00 C ATOM 988 C VAL A 69 6.797 -5.244 0.553 1.00 0.00 C ATOM 989 O VAL A 69 6.174 -4.507 1.317 1.00 0.00 O ATOM 990 CB VAL A 69 7.897 -3.545 -0.907 1.00 0.00 C ATOM 991 CG1 VAL A 69 9.186 -3.743 -0.125 1.00 0.00 C ATOM 992 CG2 VAL A 69 8.191 -3.118 -2.337 1.00 0.00 C ATOM 0 H VAL A 69 5.152 -3.997 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 69 7.602 -5.625 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 69 7.327 -2.751 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.770 -2.823 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.949 -3.998 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.764 -4.550 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.789 -2.207 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.742 -3.909 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.254 -2.932 -2.861 1.00 0.00 H new ATOM 1002 N GLU A 70 7.284 -6.424 0.922 1.00 0.00 N ATOM 1003 CA GLU A 70 7.107 -6.933 2.278 1.00 0.00 C ATOM 1004 C GLU A 70 5.630 -6.958 2.661 1.00 0.00 C ATOM 1005 O GLU A 70 5.249 -6.498 3.737 1.00 0.00 O ATOM 1006 CB GLU A 70 7.890 -6.075 3.274 1.00 0.00 C ATOM 1007 CG GLU A 70 9.396 -6.156 3.095 1.00 0.00 C ATOM 1008 CD GLU A 70 10.155 -5.670 4.315 1.00 0.00 C ATOM 1009 OE1 GLU A 70 9.987 -6.270 5.397 1.00 0.00 O ATOM 1010 OE2 GLU A 70 10.918 -4.690 4.187 1.00 0.00 O ATOM 0 H GLU A 70 7.804 -7.045 0.302 1.00 0.00 H new ATOM 0 HA GLU A 70 7.489 -7.953 2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.576 -5.036 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.636 -6.386 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.678 -7.187 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.688 -5.561 2.229 1.00 0.00 H new ATOM 1017 N GLY A 71 4.803 -7.499 1.772 1.00 0.00 N ATOM 1018 CA GLY A 71 3.378 -7.574 2.035 1.00 0.00 C ATOM 1019 C GLY A 71 2.750 -6.207 2.222 1.00 0.00 C ATOM 1020 O GLY A 71 1.760 -6.065 2.938 1.00 0.00 O ATOM 0 H GLY A 71 5.094 -7.887 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.886 -8.087 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.208 -8.174 2.929 1.00 0.00 H new ATOM 1024 N GLU A 72 3.328 -5.199 1.577 1.00 0.00 N ATOM 1025 CA GLU A 72 2.820 -3.836 1.679 1.00 0.00 C ATOM 1026 C GLU A 72 2.813 -3.155 0.314 1.00 0.00 C ATOM 1027 O GLU A 72 3.558 -3.539 -0.589 1.00 0.00 O ATOM 1028 CB GLU A 72 3.666 -3.024 2.662 1.00 0.00 C ATOM 1029 CG GLU A 72 3.044 -1.692 3.045 1.00 0.00 C ATOM 1030 CD GLU A 72 3.447 -1.238 4.435 1.00 0.00 C ATOM 1031 OE1 GLU A 72 4.558 -1.598 4.877 1.00 0.00 O ATOM 1032 OE2 GLU A 72 2.651 -0.524 5.080 1.00 0.00 O ATOM 0 H GLU A 72 4.148 -5.300 0.979 1.00 0.00 H new ATOM 0 HA GLU A 72 1.795 -3.884 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.825 -3.614 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.647 -2.844 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.341 -0.935 2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.958 -1.774 2.994 1.00 0.00 H new ATOM 1039 N LEU A 73 1.966 -2.141 0.169 1.00 0.00 N ATOM 1040 CA LEU A 73 1.860 -1.405 -1.086 1.00 0.00 C ATOM 1041 C LEU A 73 2.690 -0.126 -1.039 1.00 0.00 C ATOM 1042 O LEU A 73 2.937 0.426 0.034 1.00 0.00 O ATOM 1043 CB LEU A 73 0.398 -1.068 -1.380 1.00 0.00 C ATOM 1044 CG LEU A 73 -0.369 -2.085 -2.226 1.00 0.00 C ATOM 1045 CD1 LEU A 73 -1.854 -2.037 -1.902 1.00 0.00 C ATOM 1046 CD2 LEU A 73 -0.136 -1.829 -3.708 1.00 0.00 C ATOM 0 H LEU A 73 1.343 -1.810 0.905 1.00 0.00 H new ATOM 0 HA LEU A 73 2.248 -2.038 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.124 -0.948 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.363 -0.104 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 73 0.002 -3.082 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.384 -2.767 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.004 -2.269 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.240 -1.040 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.689 -2.562 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.479 -0.826 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.928 -1.915 -3.929 1.00 0.00 H new ATOM 1058 N TYR A 74 3.115 0.340 -2.207 1.00 0.00 N ATOM 1059 CA TYR A 74 3.917 1.554 -2.300 1.00 0.00 C ATOM 1060 C TYR A 74 3.835 2.156 -3.699 1.00 0.00 C ATOM 1061 O TYR A 74 3.635 1.444 -4.684 1.00 0.00 O ATOM 1062 CB TYR A 74 5.375 1.256 -1.945 1.00 0.00 C ATOM 1063 CG TYR A 74 5.593 0.960 -0.479 1.00 0.00 C ATOM 1064 CD1 TYR A 74 5.604 1.982 0.462 1.00 0.00 C ATOM 1065 CD2 TYR A 74 5.788 -0.342 -0.034 1.00 0.00 C ATOM 1066 CE1 TYR A 74 5.804 1.717 1.803 1.00 0.00 C ATOM 1067 CE2 TYR A 74 5.987 -0.617 1.305 1.00 0.00 C ATOM 1068 CZ TYR A 74 5.995 0.416 2.220 1.00 0.00 C ATOM 1069 OH TYR A 74 6.193 0.147 3.555 1.00 0.00 O ATOM 0 H TYR A 74 2.918 -0.105 -3.104 1.00 0.00 H new ATOM 0 HA TYR A 74 3.518 2.278 -1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.717 0.405 -2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.991 2.109 -2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.454 3.002 0.139 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.784 -1.153 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.811 2.524 2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.136 -1.635 1.634 1.00 0.00 H new ATOM 0 HH TYR A 74 5.816 -0.732 3.771 1.00 0.00 H new ATOM 1079 N CYS A 75 3.993 3.473 -3.779 1.00 0.00 N ATOM 1080 CA CYS A 75 3.937 4.174 -5.057 1.00 0.00 C ATOM 1081 C CYS A 75 5.195 3.907 -5.879 1.00 0.00 C ATOM 1082 O CYS A 75 6.205 3.442 -5.352 1.00 0.00 O ATOM 1083 CB CYS A 75 3.773 5.678 -4.830 1.00 0.00 C ATOM 1084 SG CYS A 75 5.068 6.419 -3.785 1.00 0.00 S ATOM 0 H CYS A 75 4.161 4.077 -2.974 1.00 0.00 H new ATOM 0 HA CYS A 75 3.076 3.801 -5.611 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.769 6.182 -5.797 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.802 5.861 -4.371 1.00 0.00 H new ATOM 1089 N GLU A 76 5.123 4.204 -7.173 1.00 0.00 N ATOM 1090 CA GLU A 76 6.256 3.995 -8.067 1.00 0.00 C ATOM 1091 C GLU A 76 7.526 4.613 -7.490 1.00 0.00 C ATOM 1092 O GLU A 76 8.627 4.095 -7.684 1.00 0.00 O ATOM 1093 CB GLU A 76 5.964 4.595 -9.444 1.00 0.00 C ATOM 1094 CG GLU A 76 6.789 3.981 -10.563 1.00 0.00 C ATOM 1095 CD GLU A 76 6.504 4.613 -11.912 1.00 0.00 C ATOM 1096 OE1 GLU A 76 5.401 4.386 -12.451 1.00 0.00 O ATOM 1097 OE2 GLU A 76 7.384 5.332 -12.428 1.00 0.00 O ATOM 0 H GLU A 76 4.294 4.589 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 76 6.411 2.921 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.906 4.465 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.153 5.668 -9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.848 4.091 -10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.584 2.912 -10.616 1.00 0.00 H new ATOM 1104 N THR A 77 7.367 5.725 -6.779 1.00 0.00 N ATOM 1105 CA THR A 77 8.499 6.416 -6.175 1.00 0.00 C ATOM 1106 C THR A 77 9.086 5.606 -5.024 1.00 0.00 C ATOM 1107 O THR A 77 10.182 5.057 -5.134 1.00 0.00 O ATOM 1108 CB THR A 77 8.096 7.808 -5.655 1.00 0.00 C ATOM 1109 OG1 THR A 77 7.547 8.590 -6.722 1.00 0.00 O ATOM 1110 CG2 THR A 77 9.293 8.530 -5.056 1.00 0.00 C ATOM 0 H THR A 77 6.464 6.167 -6.607 1.00 0.00 H new ATOM 0 HA THR A 77 9.251 6.532 -6.955 1.00 0.00 H new ATOM 0 HB THR A 77 7.344 7.676 -4.877 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.292 9.473 -6.382 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.983 9.511 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.691 7.947 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.064 8.650 -5.817 1.00 0.00 H new ATOM 1118 N HIS A 78 8.349 5.536 -3.920 1.00 0.00 N ATOM 1119 CA HIS A 78 8.797 4.792 -2.748 1.00 0.00 C ATOM 1120 C HIS A 78 9.136 3.351 -3.117 1.00 0.00 C ATOM 1121 O HIS A 78 10.250 2.885 -2.878 1.00 0.00 O ATOM 1122 CB HIS A 78 7.720 4.813 -1.663 1.00 0.00 C ATOM 1123 CG HIS A 78 7.694 6.082 -0.869 1.00 0.00 C ATOM 1124 ND1 HIS A 78 6.542 6.808 -0.648 1.00 0.00 N ATOM 1125 CD2 HIS A 78 8.687 6.754 -0.241 1.00 0.00 C ATOM 1126 CE1 HIS A 78 6.828 7.872 0.081 1.00 0.00 C ATOM 1127 NE2 HIS A 78 8.123 7.863 0.341 1.00 0.00 N ATOM 0 H HIS A 78 7.440 5.985 -3.812 1.00 0.00 H new ATOM 0 HA HIS A 78 9.698 5.272 -2.365 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.745 4.665 -2.128 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.881 3.974 -0.986 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.729 6.471 -0.204 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.123 8.622 0.409 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.623 8.566 0.886 1.00 0.00 H new ATOM 1135 N ALA A 79 8.169 2.650 -3.700 1.00 0.00 N ATOM 1136 CA ALA A 79 8.366 1.264 -4.102 1.00 0.00 C ATOM 1137 C ALA A 79 9.705 1.082 -4.809 1.00 0.00 C ATOM 1138 O ALA A 79 10.548 0.298 -4.372 1.00 0.00 O ATOM 1139 CB ALA A 79 7.227 0.808 -5.001 1.00 0.00 C ATOM 0 H ALA A 79 7.241 3.020 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 79 8.373 0.649 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.388 -0.230 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.283 0.891 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.193 1.435 -5.892 1.00 0.00 H new ATOM 1145 N ARG A 80 9.895 1.812 -5.904 1.00 0.00 N ATOM 1146 CA ARG A 80 11.131 1.729 -6.672 1.00 0.00 C ATOM 1147 C ARG A 80 12.347 1.782 -5.752 1.00 0.00 C ATOM 1148 O ARG A 80 13.316 1.049 -5.946 1.00 0.00 O ATOM 1149 CB ARG A 80 11.199 2.868 -7.692 1.00 0.00 C ATOM 1150 CG ARG A 80 10.486 2.559 -8.998 1.00 0.00 C ATOM 1151 CD ARG A 80 10.399 3.788 -9.889 1.00 0.00 C ATOM 1152 NE ARG A 80 11.700 4.160 -10.438 1.00 0.00 N ATOM 1153 CZ ARG A 80 12.009 5.393 -10.826 1.00 0.00 C ATOM 1154 NH1 ARG A 80 11.115 6.366 -10.726 1.00 0.00 N ATOM 1155 NH2 ARG A 80 13.215 5.653 -11.314 1.00 0.00 N ATOM 0 H ARG A 80 9.209 2.467 -6.279 1.00 0.00 H new ATOM 0 HA ARG A 80 11.139 0.776 -7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.762 3.765 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.244 3.094 -7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 80 11.015 1.764 -9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.483 2.189 -8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.703 3.595 -10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.995 4.623 -9.316 1.00 0.00 H new ATOM 0 HE ARG A 80 12.410 3.434 -10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.187 6.170 -10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.355 7.311 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.906 4.906 -11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.452 6.599 -11.612 1.00 0.00 H new ATOM 1169 N ALA A 81 12.289 2.655 -4.752 1.00 0.00 N ATOM 1170 CA ALA A 81 13.384 2.803 -3.802 1.00 0.00 C ATOM 1171 C ALA A 81 13.565 1.537 -2.972 1.00 0.00 C ATOM 1172 O ALA A 81 14.677 1.210 -2.555 1.00 0.00 O ATOM 1173 CB ALA A 81 13.139 4.000 -2.896 1.00 0.00 C ATOM 0 H ALA A 81 11.495 3.271 -4.579 1.00 0.00 H new ATOM 0 HA ALA A 81 14.301 2.971 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.965 4.098 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.067 4.905 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.209 3.856 -2.347 1.00 0.00 H new ATOM 1179 N ARG A 82 12.466 0.829 -2.734 1.00 0.00 N ATOM 1180 CA ARG A 82 12.504 -0.401 -1.951 1.00 0.00 C ATOM 1181 C ARG A 82 12.969 -1.576 -2.807 1.00 0.00 C ATOM 1182 O ARG A 82 14.032 -2.150 -2.568 1.00 0.00 O ATOM 1183 CB ARG A 82 11.123 -0.699 -1.363 1.00 0.00 C ATOM 1184 CG ARG A 82 10.566 0.432 -0.514 1.00 0.00 C ATOM 1185 CD ARG A 82 9.055 0.332 -0.376 1.00 0.00 C ATOM 1186 NE ARG A 82 8.662 -0.538 0.729 1.00 0.00 N ATOM 1187 CZ ARG A 82 8.902 -0.258 2.005 1.00 0.00 C ATOM 1188 NH1 ARG A 82 9.529 0.862 2.336 1.00 0.00 N ATOM 1189 NH2 ARG A 82 8.513 -1.100 2.955 1.00 0.00 N ATOM 0 H ARG A 82 11.538 1.086 -3.072 1.00 0.00 H new ATOM 0 HA ARG A 82 13.216 -0.263 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.428 -0.907 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.183 -1.602 -0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.025 0.407 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.829 1.390 -0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.639 1.327 -0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.631 -0.048 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 82 8.177 -1.408 0.509 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.829 1.512 1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.711 1.074 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.029 -1.963 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.698 -0.884 3.935 1.00 0.00 H new ATOM 1203 N THR A 83 12.164 -1.930 -3.804 1.00 0.00 N ATOM 1204 CA THR A 83 12.492 -3.037 -4.694 1.00 0.00 C ATOM 1205 C THR A 83 13.730 -2.725 -5.526 1.00 0.00 C ATOM 1206 O THR A 83 14.582 -3.589 -5.737 1.00 0.00 O ATOM 1207 CB THR A 83 11.320 -3.362 -5.640 1.00 0.00 C ATOM 1208 OG1 THR A 83 11.689 -4.422 -6.530 1.00 0.00 O ATOM 1209 CG2 THR A 83 10.917 -2.136 -6.444 1.00 0.00 C ATOM 0 H THR A 83 11.280 -1.466 -4.015 1.00 0.00 H new ATOM 0 HA THR A 83 12.691 -3.903 -4.062 1.00 0.00 H new ATOM 0 HB THR A 83 10.469 -3.675 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.939 -4.624 -7.127 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.088 -2.390 -7.104 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.609 -1.341 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.764 -1.797 -7.040 1.00 0.00 H new ATOM 1217 N SER A 84 13.825 -1.486 -5.997 1.00 0.00 N ATOM 1218 CA SER A 84 14.959 -1.061 -6.809 1.00 0.00 C ATOM 1219 C SER A 84 15.181 -2.019 -7.976 1.00 0.00 C ATOM 1220 O SER A 84 16.316 -2.301 -8.355 1.00 0.00 O ATOM 1221 CB SER A 84 16.225 -0.981 -5.954 1.00 0.00 C ATOM 1222 OG SER A 84 16.809 -2.261 -5.786 1.00 0.00 O ATOM 0 H SER A 84 13.130 -0.758 -5.830 1.00 0.00 H new ATOM 0 HA SER A 84 14.736 -0.072 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.943 -0.309 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.983 -0.557 -4.979 1.00 0.00 H new ATOM 0 HG SER A 84 16.154 -2.869 -5.383 1.00 0.00 H new ATOM 1228 N GLY A 85 14.085 -2.517 -8.541 1.00 0.00 N ATOM 1229 CA GLY A 85 14.179 -3.438 -9.659 1.00 0.00 C ATOM 1230 C GLY A 85 12.982 -4.363 -9.750 1.00 0.00 C ATOM 1231 O GLY A 85 13.086 -5.571 -9.532 1.00 0.00 O ATOM 0 H GLY A 85 13.134 -2.299 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.268 -2.871 -10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.087 -4.033 -9.561 1.00 0.00 H new ATOM 1235 N PRO A 86 11.813 -3.794 -10.078 1.00 0.00 N ATOM 1236 CA PRO A 86 10.568 -4.558 -10.204 1.00 0.00 C ATOM 1237 C PRO A 86 10.573 -5.477 -11.420 1.00 0.00 C ATOM 1238 O PRO A 86 9.533 -6.002 -11.817 1.00 0.00 O ATOM 1239 CB PRO A 86 9.500 -3.472 -10.358 1.00 0.00 C ATOM 1240 CG PRO A 86 10.227 -2.303 -10.926 1.00 0.00 C ATOM 1241 CD PRO A 86 11.616 -2.360 -10.351 1.00 0.00 C ATOM 0 HA PRO A 86 10.405 -5.217 -9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.697 -3.798 -11.019 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.044 -3.227 -9.399 1.00 0.00 H new ATOM 0 HG2 PRO A 86 10.253 -2.351 -12.015 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.732 -1.369 -10.660 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.358 -1.979 -11.053 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.700 -1.763 -9.443 1.00 0.00 H new ATOM 1249 N SER A 87 11.750 -5.669 -12.007 1.00 0.00 N ATOM 1250 CA SER A 87 11.889 -6.523 -13.180 1.00 0.00 C ATOM 1251 C SER A 87 11.268 -7.894 -12.931 1.00 0.00 C ATOM 1252 O SER A 87 10.559 -8.430 -13.783 1.00 0.00 O ATOM 1253 CB SER A 87 13.365 -6.679 -13.551 1.00 0.00 C ATOM 1254 OG SER A 87 13.509 -7.276 -14.829 1.00 0.00 O ATOM 0 H SER A 87 12.621 -5.244 -11.689 1.00 0.00 H new ATOM 0 HA SER A 87 11.361 -6.050 -14.008 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.850 -5.703 -13.545 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.869 -7.290 -12.802 1.00 0.00 H new ATOM 0 HG SER A 87 14.461 -7.363 -15.044 1.00 0.00 H new ATOM 1260 N SER A 88 11.539 -8.455 -11.757 1.00 0.00 N ATOM 1261 CA SER A 88 11.011 -9.766 -11.396 1.00 0.00 C ATOM 1262 C SER A 88 10.035 -9.654 -10.228 1.00 0.00 C ATOM 1263 O SER A 88 10.300 -8.961 -9.247 1.00 0.00 O ATOM 1264 CB SER A 88 12.153 -10.717 -11.033 1.00 0.00 C ATOM 1265 OG SER A 88 12.707 -10.390 -9.770 1.00 0.00 O ATOM 0 H SER A 88 12.121 -8.023 -11.040 1.00 0.00 H new ATOM 0 HA SER A 88 10.476 -10.166 -12.257 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.785 -11.743 -11.018 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.928 -10.668 -11.798 1.00 0.00 H new ATOM 0 HG SER A 88 13.434 -11.013 -9.560 1.00 0.00 H new ATOM 1271 N GLY A 89 8.904 -10.344 -10.343 1.00 0.00 N ATOM 1272 CA GLY A 89 7.905 -10.310 -9.291 1.00 0.00 C ATOM 1273 C GLY A 89 7.463 -8.899 -8.956 1.00 0.00 C ATOM 1274 O GLY A 89 6.856 -8.695 -7.906 1.00 0.00 O ATOM 0 H GLY A 89 8.662 -10.925 -11.145 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.038 -10.896 -9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.308 -10.783 -8.396 1.00 0.00 H new TER 1278 GLY A 89 HETATM 1279 ZN ZN A 201 -11.360 0.289 2.978 1.00 0.00 ZN HETATM 1280 ZN ZN A 401 4.679 6.582 -1.525 1.00 0.00 ZN