USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 SER OG : rot 134:sc= 0.749 USER MOD Set 2.2: A 67 MET CE :methyl -169:sc=-0.00298 (180deg=-0.0663) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc=-0.00826 (180deg=-0.185) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 89:sc= 0.397 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.26 K(o=-3.3,f=-4.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -164:sc= -0.814! USER MOD Single : A 59 THR OG1 : rot 73:sc= 0.935 USER MOD Single : A 65 THR OG1 : rot 87:sc= 0.0506 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0688 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -114:sc= -5.82 (180deg=-11.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -49.960 -2.231 -0.360 1.00 0.00 N ATOM 2 CA MET A 1 -48.915 -3.237 -0.437 1.00 0.00 C ATOM 3 C MET A 1 -47.607 -2.715 0.161 1.00 0.00 C ATOM 4 O MET A 1 -46.829 -2.050 -0.522 1.00 0.00 O ATOM 5 CB MET A 1 -48.689 -3.627 -1.898 1.00 0.00 C ATOM 6 CG MET A 1 -49.817 -4.528 -2.406 1.00 0.00 C ATOM 7 SD MET A 1 -50.016 -4.321 -4.168 1.00 0.00 S ATOM 8 CE MET A 1 -50.856 -5.845 -4.566 1.00 0.00 C ATOM 0 H1 MET A 1 -50.884 -2.697 -0.257 1.00 0.00 H new ATOM 0 H2 MET A 1 -49.790 -1.616 0.461 1.00 0.00 H new ATOM 0 H3 MET A 1 -49.956 -1.659 -1.228 1.00 0.00 H new ATOM 0 HA MET A 1 -49.232 -4.109 0.136 1.00 0.00 H new ATOM 0 HB2 MET A 1 -48.631 -2.729 -2.513 1.00 0.00 H new ATOM 0 HB3 MET A 1 -47.734 -4.143 -1.997 1.00 0.00 H new ATOM 0 HG2 MET A 1 -49.593 -5.570 -2.177 1.00 0.00 H new ATOM 0 HG3 MET A 1 -50.748 -4.282 -1.895 1.00 0.00 H new ATOM 0 HE1 MET A 1 -51.058 -5.880 -5.636 1.00 0.00 H new ATOM 0 HE2 MET A 1 -50.227 -6.691 -4.288 1.00 0.00 H new ATOM 0 HE3 MET A 1 -51.796 -5.896 -4.017 1.00 0.00 H new ATOM 18 N ASP A 2 -47.403 -3.037 1.430 1.00 0.00 N ATOM 19 CA ASP A 2 -46.203 -2.609 2.128 1.00 0.00 C ATOM 20 C ASP A 2 -46.096 -1.084 2.061 1.00 0.00 C ATOM 21 O ASP A 2 -45.675 -0.531 1.046 1.00 0.00 O ATOM 22 CB ASP A 2 -44.949 -3.199 1.479 1.00 0.00 C ATOM 23 CG ASP A 2 -44.553 -4.588 1.985 1.00 0.00 C ATOM 24 OD1 ASP A 2 -45.046 -5.055 3.022 1.00 0.00 O ATOM 25 OD2 ASP A 2 -43.686 -5.206 1.257 1.00 0.00 O ATOM 0 H ASP A 2 -48.049 -3.590 1.993 1.00 0.00 H new ATOM 0 HA ASP A 2 -46.272 -2.953 3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -45.106 -3.252 0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -44.116 -2.516 1.646 1.00 0.00 H new ATOM 30 N LEU A 3 -46.484 -0.447 3.156 1.00 0.00 N ATOM 31 CA LEU A 3 -46.437 1.003 3.235 1.00 0.00 C ATOM 32 C LEU A 3 -45.008 1.478 2.960 1.00 0.00 C ATOM 33 O LEU A 3 -44.728 2.031 1.897 1.00 0.00 O ATOM 34 CB LEU A 3 -46.998 1.486 4.574 1.00 0.00 C ATOM 35 CG LEU A 3 -48.406 2.082 4.536 1.00 0.00 C ATOM 36 CD1 LEU A 3 -49.152 1.813 5.844 1.00 0.00 C ATOM 37 CD2 LEU A 3 -48.361 3.573 4.197 1.00 0.00 C ATOM 0 H LEU A 3 -46.832 -0.909 3.996 1.00 0.00 H new ATOM 0 HA LEU A 3 -47.075 1.447 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -46.999 0.646 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -46.319 2.235 4.981 1.00 0.00 H new ATOM 0 HG LEU A 3 -48.964 1.588 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -50.150 2.248 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -49.233 0.738 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -48.606 2.262 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -49.375 3.972 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -47.779 4.100 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -47.897 3.710 3.220 1.00 0.00 H new ATOM 49 N ILE A 4 -44.143 1.246 3.936 1.00 0.00 N ATOM 50 CA ILE A 4 -42.751 1.643 3.812 1.00 0.00 C ATOM 51 C ILE A 4 -42.228 1.231 2.435 1.00 0.00 C ATOM 52 O ILE A 4 -42.371 1.973 1.464 1.00 0.00 O ATOM 53 CB ILE A 4 -41.929 1.084 4.975 1.00 0.00 C ATOM 54 CG1 ILE A 4 -40.432 1.125 4.658 1.00 0.00 C ATOM 55 CG2 ILE A 4 -42.396 -0.323 5.351 1.00 0.00 C ATOM 56 CD1 ILE A 4 -39.629 1.613 5.866 1.00 0.00 C ATOM 0 H ILE A 4 -44.379 0.788 4.816 1.00 0.00 H new ATOM 0 HA ILE A 4 -42.657 2.727 3.877 1.00 0.00 H new ATOM 0 HB ILE A 4 -42.092 1.720 5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -40.091 0.131 4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -40.254 1.784 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -41.795 -0.696 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -43.444 -0.291 5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -42.282 -0.986 4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -38.569 1.633 5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -39.956 2.616 6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -39.790 0.938 6.707 1.00 0.00 H new ATOM 68 N GLY A 5 -41.632 0.048 2.393 1.00 0.00 N ATOM 69 CA GLY A 5 -41.087 -0.472 1.151 1.00 0.00 C ATOM 70 C GLY A 5 -39.661 0.035 0.923 1.00 0.00 C ATOM 71 O GLY A 5 -38.758 -0.749 0.636 1.00 0.00 O ATOM 0 H GLY A 5 -41.515 -0.565 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -41.090 -1.562 1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -41.721 -0.171 0.317 1.00 0.00 H new ATOM 75 N PHE A 6 -39.504 1.344 1.059 1.00 0.00 N ATOM 76 CA PHE A 6 -38.204 1.965 0.871 1.00 0.00 C ATOM 77 C PHE A 6 -37.170 1.372 1.829 1.00 0.00 C ATOM 78 O PHE A 6 -36.130 0.877 1.397 1.00 0.00 O ATOM 79 CB PHE A 6 -38.372 3.454 1.178 1.00 0.00 C ATOM 80 CG PHE A 6 -37.278 4.340 0.578 1.00 0.00 C ATOM 81 CD1 PHE A 6 -37.283 4.620 -0.753 1.00 0.00 C ATOM 82 CD2 PHE A 6 -36.301 4.848 1.376 1.00 0.00 C ATOM 83 CE1 PHE A 6 -36.268 5.442 -1.309 1.00 0.00 C ATOM 84 CE2 PHE A 6 -35.286 5.670 0.820 1.00 0.00 C ATOM 85 CZ PHE A 6 -35.291 5.950 -0.511 1.00 0.00 C ATOM 0 H PHE A 6 -40.256 1.991 1.297 1.00 0.00 H new ATOM 0 HA PHE A 6 -37.854 1.796 -0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -39.340 3.785 0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.385 3.592 2.259 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -38.059 4.217 -1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -36.297 4.626 2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -36.272 5.664 -2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -34.510 6.073 1.454 1.00 0.00 H new ATOM 0 HZ PHE A 6 -34.519 6.576 -0.934 1.00 0.00 H new ATOM 95 N GLY A 7 -37.491 1.442 3.113 1.00 0.00 N ATOM 96 CA GLY A 7 -36.602 0.918 4.136 1.00 0.00 C ATOM 97 C GLY A 7 -36.102 -0.480 3.765 1.00 0.00 C ATOM 98 O GLY A 7 -34.898 -0.732 3.760 1.00 0.00 O ATOM 0 H GLY A 7 -38.354 1.854 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -35.753 1.590 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -37.125 0.879 5.092 1.00 0.00 H new ATOM 102 N TYR A 8 -37.052 -1.352 3.463 1.00 0.00 N ATOM 103 CA TYR A 8 -36.724 -2.718 3.091 1.00 0.00 C ATOM 104 C TYR A 8 -35.711 -2.746 1.945 1.00 0.00 C ATOM 105 O TYR A 8 -34.745 -3.506 1.983 1.00 0.00 O ATOM 106 CB TYR A 8 -38.032 -3.352 2.615 1.00 0.00 C ATOM 107 CG TYR A 8 -38.097 -4.868 2.812 1.00 0.00 C ATOM 108 CD1 TYR A 8 -37.216 -5.690 2.139 1.00 0.00 C ATOM 109 CD2 TYR A 8 -39.037 -5.413 3.663 1.00 0.00 C ATOM 110 CE1 TYR A 8 -37.277 -7.116 2.325 1.00 0.00 C ATOM 111 CE2 TYR A 8 -39.098 -6.840 3.848 1.00 0.00 C ATOM 112 CZ TYR A 8 -38.215 -7.621 3.170 1.00 0.00 C ATOM 113 OH TYR A 8 -38.273 -8.969 3.346 1.00 0.00 O ATOM 0 H TYR A 8 -38.050 -1.139 3.468 1.00 0.00 H new ATOM 0 HA TYR A 8 -36.285 -3.250 3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -38.863 -2.891 3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -38.169 -3.127 1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -36.481 -5.263 1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -39.726 -4.770 4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -36.593 -7.770 1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -39.829 -7.280 4.510 1.00 0.00 H new ATOM 0 HH TYR A 8 -38.990 -9.186 3.978 1.00 0.00 H new ATOM 123 N ALA A 9 -35.966 -1.907 0.951 1.00 0.00 N ATOM 124 CA ALA A 9 -35.089 -1.826 -0.204 1.00 0.00 C ATOM 125 C ALA A 9 -33.781 -1.143 0.201 1.00 0.00 C ATOM 126 O ALA A 9 -32.732 -1.405 -0.385 1.00 0.00 O ATOM 127 CB ALA A 9 -35.804 -1.089 -1.338 1.00 0.00 C ATOM 0 H ALA A 9 -36.768 -1.277 0.922 1.00 0.00 H new ATOM 0 HA ALA A 9 -34.842 -2.823 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -35.146 -1.028 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -36.711 -1.630 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -36.066 -0.083 -1.010 1.00 0.00 H new ATOM 133 N ALA A 10 -33.886 -0.281 1.202 1.00 0.00 N ATOM 134 CA ALA A 10 -32.725 0.441 1.692 1.00 0.00 C ATOM 135 C ALA A 10 -31.774 -0.539 2.383 1.00 0.00 C ATOM 136 O ALA A 10 -30.612 -0.657 1.998 1.00 0.00 O ATOM 137 CB ALA A 10 -33.179 1.567 2.624 1.00 0.00 C ATOM 0 H ALA A 10 -34.758 -0.067 1.687 1.00 0.00 H new ATOM 0 HA ALA A 10 -32.183 0.900 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -32.307 2.109 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -33.828 2.252 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -33.725 1.144 3.467 1.00 0.00 H new ATOM 143 N LEU A 11 -32.304 -1.217 3.390 1.00 0.00 N ATOM 144 CA LEU A 11 -31.517 -2.183 4.138 1.00 0.00 C ATOM 145 C LEU A 11 -30.968 -3.240 3.177 1.00 0.00 C ATOM 146 O LEU A 11 -29.812 -3.644 3.288 1.00 0.00 O ATOM 147 CB LEU A 11 -32.338 -2.766 5.290 1.00 0.00 C ATOM 148 CG LEU A 11 -33.325 -3.874 4.916 1.00 0.00 C ATOM 149 CD1 LEU A 11 -32.642 -5.244 4.932 1.00 0.00 C ATOM 150 CD2 LEU A 11 -34.558 -3.838 5.821 1.00 0.00 C ATOM 0 H LEU A 11 -33.269 -1.117 3.706 1.00 0.00 H new ATOM 0 HA LEU A 11 -30.659 -1.698 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -31.650 -3.157 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -32.894 -1.955 5.761 1.00 0.00 H new ATOM 0 HG LEU A 11 -33.668 -3.697 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -33.365 -6.014 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -31.821 -5.250 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -32.253 -5.445 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -35.243 -4.636 5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -34.252 -3.978 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -35.058 -2.875 5.717 1.00 0.00 H new ATOM 162 N VAL A 12 -31.824 -3.658 2.256 1.00 0.00 N ATOM 163 CA VAL A 12 -31.440 -4.660 1.277 1.00 0.00 C ATOM 164 C VAL A 12 -30.185 -4.190 0.538 1.00 0.00 C ATOM 165 O VAL A 12 -29.207 -4.930 0.435 1.00 0.00 O ATOM 166 CB VAL A 12 -32.612 -4.951 0.338 1.00 0.00 C ATOM 167 CG1 VAL A 12 -32.133 -5.651 -0.936 1.00 0.00 C ATOM 168 CG2 VAL A 12 -33.689 -5.777 1.045 1.00 0.00 C ATOM 0 H VAL A 12 -32.782 -3.321 2.167 1.00 0.00 H new ATOM 0 HA VAL A 12 -31.195 -5.601 1.770 1.00 0.00 H new ATOM 0 HB VAL A 12 -33.055 -3.998 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -32.986 -5.847 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -31.419 -5.012 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -31.653 -6.594 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -34.511 -5.970 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -33.263 -6.724 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -34.062 -5.226 1.908 1.00 0.00 H new ATOM 178 N THR A 13 -30.253 -2.962 0.044 1.00 0.00 N ATOM 179 CA THR A 13 -29.134 -2.385 -0.682 1.00 0.00 C ATOM 180 C THR A 13 -27.913 -2.261 0.232 1.00 0.00 C ATOM 181 O THR A 13 -26.777 -2.362 -0.229 1.00 0.00 O ATOM 182 CB THR A 13 -29.592 -1.048 -1.269 1.00 0.00 C ATOM 183 OG1 THR A 13 -30.494 -1.417 -2.308 1.00 0.00 O ATOM 184 CG2 THR A 13 -28.465 -0.313 -1.998 1.00 0.00 C ATOM 0 H THR A 13 -31.065 -2.351 0.132 1.00 0.00 H new ATOM 0 HA THR A 13 -28.821 -3.028 -1.505 1.00 0.00 H new ATOM 0 HB THR A 13 -29.982 -0.415 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 13 -31.399 -1.499 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 13 -28.843 0.629 -2.396 1.00 0.00 H new ATOM 0 HG22 THR A 13 -27.651 -0.113 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 13 -28.098 -0.931 -2.817 1.00 0.00 H new ATOM 192 N PHE A 14 -28.189 -2.044 1.509 1.00 0.00 N ATOM 193 CA PHE A 14 -27.126 -1.905 2.491 1.00 0.00 C ATOM 194 C PHE A 14 -26.369 -3.222 2.669 1.00 0.00 C ATOM 195 O PHE A 14 -25.141 -3.251 2.599 1.00 0.00 O ATOM 196 CB PHE A 14 -27.790 -1.528 3.817 1.00 0.00 C ATOM 197 CG PHE A 14 -26.828 -0.931 4.846 1.00 0.00 C ATOM 198 CD1 PHE A 14 -25.945 -1.735 5.498 1.00 0.00 C ATOM 199 CD2 PHE A 14 -26.855 0.403 5.110 1.00 0.00 C ATOM 200 CE1 PHE A 14 -25.052 -1.181 6.453 1.00 0.00 C ATOM 201 CE2 PHE A 14 -25.962 0.957 6.065 1.00 0.00 C ATOM 202 CZ PHE A 14 -25.080 0.153 6.717 1.00 0.00 C ATOM 0 H PHE A 14 -29.133 -1.961 1.887 1.00 0.00 H new ATOM 0 HA PHE A 14 -26.413 -1.149 2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -28.588 -0.811 3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -28.257 -2.416 4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -25.923 -2.794 5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -27.556 1.041 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.350 -1.819 6.970 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.983 2.016 6.273 1.00 0.00 H new ATOM 0 HZ PHE A 14 -24.402 0.574 7.445 1.00 0.00 H new ATOM 212 N GLY A 15 -27.133 -4.281 2.897 1.00 0.00 N ATOM 213 CA GLY A 15 -26.549 -5.598 3.086 1.00 0.00 C ATOM 214 C GLY A 15 -25.948 -6.124 1.781 1.00 0.00 C ATOM 215 O GLY A 15 -25.041 -6.954 1.801 1.00 0.00 O ATOM 0 H GLY A 15 -28.151 -4.253 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -25.776 -5.550 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -27.311 -6.290 3.444 1.00 0.00 H new ATOM 219 N SER A 16 -26.478 -5.618 0.676 1.00 0.00 N ATOM 220 CA SER A 16 -26.005 -6.027 -0.635 1.00 0.00 C ATOM 221 C SER A 16 -24.619 -5.435 -0.899 1.00 0.00 C ATOM 222 O SER A 16 -23.683 -6.162 -1.228 1.00 0.00 O ATOM 223 CB SER A 16 -26.983 -5.598 -1.731 1.00 0.00 C ATOM 224 OG SER A 16 -27.436 -6.704 -2.506 1.00 0.00 O ATOM 0 H SER A 16 -27.230 -4.929 0.663 1.00 0.00 H new ATOM 0 HA SER A 16 -25.937 -7.115 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 16 -27.839 -5.098 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 16 -26.499 -4.872 -2.384 1.00 0.00 H new ATOM 0 HG SER A 16 -28.059 -6.388 -3.193 1.00 0.00 H new ATOM 230 N ILE A 17 -24.532 -4.122 -0.746 1.00 0.00 N ATOM 231 CA ILE A 17 -23.276 -3.425 -0.963 1.00 0.00 C ATOM 232 C ILE A 17 -22.268 -3.853 0.106 1.00 0.00 C ATOM 233 O ILE A 17 -21.217 -4.407 -0.213 1.00 0.00 O ATOM 234 CB ILE A 17 -23.505 -1.914 -1.023 1.00 0.00 C ATOM 235 CG1 ILE A 17 -24.444 -1.546 -2.174 1.00 0.00 C ATOM 236 CG2 ILE A 17 -22.176 -1.160 -1.105 1.00 0.00 C ATOM 237 CD1 ILE A 17 -23.893 -2.044 -3.511 1.00 0.00 C ATOM 0 H ILE A 17 -25.311 -3.522 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 17 -22.851 -3.698 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.993 -1.607 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -25.428 -1.980 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -24.574 -0.464 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.368 -0.088 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -21.574 -1.387 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.638 -1.467 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -24.579 -1.770 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.920 -1.590 -3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -23.787 -3.128 -3.480 1.00 0.00 H new ATOM 249 N PHE A 18 -22.624 -3.578 1.352 1.00 0.00 N ATOM 250 CA PHE A 18 -21.764 -3.928 2.470 1.00 0.00 C ATOM 251 C PHE A 18 -21.387 -5.410 2.430 1.00 0.00 C ATOM 252 O PHE A 18 -20.225 -5.764 2.620 1.00 0.00 O ATOM 253 CB PHE A 18 -22.558 -3.650 3.749 1.00 0.00 C ATOM 254 CG PHE A 18 -21.686 -3.372 4.975 1.00 0.00 C ATOM 255 CD1 PHE A 18 -21.166 -2.131 5.172 1.00 0.00 C ATOM 256 CD2 PHE A 18 -21.431 -4.367 5.867 1.00 0.00 C ATOM 257 CE1 PHE A 18 -20.356 -1.873 6.310 1.00 0.00 C ATOM 258 CE2 PHE A 18 -20.621 -4.109 7.005 1.00 0.00 C ATOM 259 CZ PHE A 18 -20.101 -2.868 7.202 1.00 0.00 C ATOM 0 H PHE A 18 -23.496 -3.117 1.612 1.00 0.00 H new ATOM 0 HA PHE A 18 -20.843 -3.346 2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -23.212 -2.795 3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -23.200 -4.505 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -21.369 -1.342 4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -21.844 -5.352 5.710 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.943 -0.888 6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.418 -4.898 7.714 1.00 0.00 H new ATOM 0 HZ PHE A 18 -19.485 -2.672 8.067 1.00 0.00 H new ATOM 269 N GLY A 19 -22.392 -6.237 2.180 1.00 0.00 N ATOM 270 CA GLY A 19 -22.181 -7.673 2.112 1.00 0.00 C ATOM 271 C GLY A 19 -21.163 -8.127 3.161 1.00 0.00 C ATOM 272 O GLY A 19 -20.205 -8.828 2.838 1.00 0.00 O ATOM 0 H GLY A 19 -23.355 -5.940 2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -23.127 -8.191 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -21.830 -7.946 1.117 1.00 0.00 H new ATOM 276 N TYR A 20 -21.405 -7.709 4.394 1.00 0.00 N ATOM 277 CA TYR A 20 -20.522 -8.064 5.492 1.00 0.00 C ATOM 278 C TYR A 20 -19.073 -7.688 5.174 1.00 0.00 C ATOM 279 O TYR A 20 -18.375 -8.424 4.479 1.00 0.00 O ATOM 280 CB TYR A 20 -20.621 -9.584 5.638 1.00 0.00 C ATOM 281 CG TYR A 20 -21.422 -10.041 6.859 1.00 0.00 C ATOM 282 CD1 TYR A 20 -20.818 -10.098 8.098 1.00 0.00 C ATOM 283 CD2 TYR A 20 -22.749 -10.396 6.720 1.00 0.00 C ATOM 284 CE1 TYR A 20 -21.572 -10.529 9.247 1.00 0.00 C ATOM 285 CE2 TYR A 20 -23.503 -10.826 7.869 1.00 0.00 C ATOM 286 CZ TYR A 20 -22.877 -10.871 9.076 1.00 0.00 C ATOM 287 OH TYR A 20 -23.590 -11.277 10.161 1.00 0.00 O ATOM 0 H TYR A 20 -22.200 -7.127 4.658 1.00 0.00 H new ATOM 0 HA TYR A 20 -20.810 -7.537 6.402 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -21.081 -9.996 4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.615 -9.999 5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -19.780 -9.820 8.206 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -23.221 -10.351 5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -21.111 -10.579 10.222 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -24.542 -11.106 7.775 1.00 0.00 H new ATOM 0 HH TYR A 20 -24.508 -11.488 9.889 1.00 0.00 H new ATOM 297 N LYS A 21 -18.665 -6.541 5.698 1.00 0.00 N ATOM 298 CA LYS A 21 -17.312 -6.058 5.479 1.00 0.00 C ATOM 299 C LYS A 21 -16.323 -7.202 5.709 1.00 0.00 C ATOM 300 O LYS A 21 -16.355 -7.855 6.751 1.00 0.00 O ATOM 301 CB LYS A 21 -17.038 -4.825 6.341 1.00 0.00 C ATOM 302 CG LYS A 21 -15.867 -4.013 5.781 1.00 0.00 C ATOM 303 CD LYS A 21 -15.835 -2.608 6.385 1.00 0.00 C ATOM 304 CE LYS A 21 -15.473 -1.564 5.327 1.00 0.00 C ATOM 305 NZ LYS A 21 -16.295 -0.346 5.498 1.00 0.00 N ATOM 0 H LYS A 21 -19.247 -5.933 6.273 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.186 -5.731 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -17.931 -4.201 6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.816 -5.133 7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.929 -4.526 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.953 -3.945 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.808 -2.372 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.109 -2.574 7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.416 -1.310 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.629 -1.978 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.036 0.352 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.301 -0.590 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.126 0.057 6.442 1.00 0.00 H new ATOM 319 N ARG A 22 -15.467 -7.410 4.719 1.00 0.00 N ATOM 320 CA ARG A 22 -14.470 -8.464 4.801 1.00 0.00 C ATOM 321 C ARG A 22 -13.346 -8.210 3.795 1.00 0.00 C ATOM 322 O ARG A 22 -13.601 -8.042 2.603 1.00 0.00 O ATOM 323 CB ARG A 22 -15.093 -9.834 4.525 1.00 0.00 C ATOM 324 CG ARG A 22 -14.758 -10.823 5.643 1.00 0.00 C ATOM 325 CD ARG A 22 -15.636 -12.074 5.549 1.00 0.00 C ATOM 326 NE ARG A 22 -15.279 -13.024 6.626 1.00 0.00 N ATOM 327 CZ ARG A 22 -15.579 -14.330 6.604 1.00 0.00 C ATOM 328 NH1 ARG A 22 -16.242 -14.849 5.562 1.00 0.00 N ATOM 329 NH2 ARG A 22 -15.215 -15.118 7.626 1.00 0.00 N ATOM 0 H ARG A 22 -15.443 -6.867 3.856 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.065 -8.459 5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.175 -9.734 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.728 -10.219 3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.707 -11.106 5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.902 -10.345 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.687 -11.798 5.630 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.505 -12.548 4.576 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.774 -12.663 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.519 -14.250 4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.470 -15.843 5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.710 -14.723 8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.443 -16.112 7.610 1.00 0.00 H new ATOM 343 N ARG A 23 -12.126 -8.191 4.311 1.00 0.00 N ATOM 344 CA ARG A 23 -10.962 -7.961 3.472 1.00 0.00 C ATOM 345 C ARG A 23 -10.857 -9.047 2.400 1.00 0.00 C ATOM 346 O ARG A 23 -11.868 -9.602 1.973 1.00 0.00 O ATOM 347 CB ARG A 23 -9.677 -7.949 4.304 1.00 0.00 C ATOM 348 CG ARG A 23 -8.720 -6.858 3.819 1.00 0.00 C ATOM 349 CD ARG A 23 -7.271 -7.209 4.161 1.00 0.00 C ATOM 350 NE ARG A 23 -7.012 -6.948 5.595 1.00 0.00 N ATOM 351 CZ ARG A 23 -5.790 -6.924 6.145 1.00 0.00 C ATOM 352 NH1 ARG A 23 -4.709 -7.146 5.386 1.00 0.00 N ATOM 353 NH2 ARG A 23 -5.650 -6.679 7.455 1.00 0.00 N ATOM 0 H ARG A 23 -11.918 -8.331 5.300 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.083 -6.988 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.921 -7.784 5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.189 -8.921 4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.823 -6.732 2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.985 -5.906 4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.079 -8.257 3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.591 -6.619 3.547 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.813 -6.776 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.816 -7.333 4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.779 -7.128 5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.473 -6.511 8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.720 -6.661 7.874 1.00 0.00 H new ATOM 367 N GLY A 24 -9.625 -9.318 1.996 1.00 0.00 N ATOM 368 CA GLY A 24 -9.375 -10.328 0.981 1.00 0.00 C ATOM 369 C GLY A 24 -8.204 -9.925 0.083 1.00 0.00 C ATOM 370 O GLY A 24 -7.413 -9.053 0.441 1.00 0.00 O ATOM 0 H GLY A 24 -8.789 -8.856 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.159 -11.283 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.270 -10.470 0.376 1.00 0.00 H new ATOM 374 N GLY A 25 -8.130 -10.578 -1.068 1.00 0.00 N ATOM 375 CA GLY A 25 -7.069 -10.298 -2.020 1.00 0.00 C ATOM 376 C GLY A 25 -6.146 -11.507 -2.184 1.00 0.00 C ATOM 377 O GLY A 25 -4.992 -11.473 -1.760 1.00 0.00 O ATOM 0 H GLY A 25 -8.788 -11.300 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.502 -10.033 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.491 -9.438 -1.683 1.00 0.00 H new ATOM 381 N VAL A 26 -6.689 -12.547 -2.799 1.00 0.00 N ATOM 382 CA VAL A 26 -5.929 -13.765 -3.024 1.00 0.00 C ATOM 383 C VAL A 26 -4.918 -13.530 -4.148 1.00 0.00 C ATOM 384 O VAL A 26 -3.730 -13.806 -3.987 1.00 0.00 O ATOM 385 CB VAL A 26 -6.879 -14.930 -3.308 1.00 0.00 C ATOM 386 CG1 VAL A 26 -6.370 -15.780 -4.474 1.00 0.00 C ATOM 387 CG2 VAL A 26 -7.089 -15.785 -2.057 1.00 0.00 C ATOM 0 H VAL A 26 -7.647 -12.571 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.365 -14.034 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.845 -14.513 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.063 -16.601 -4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.296 -15.163 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.387 -16.182 -4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.768 -16.606 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.132 -16.188 -1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.517 -15.171 -1.264 1.00 0.00 H new ATOM 397 N PRO A 27 -5.440 -13.009 -5.290 1.00 0.00 N ATOM 398 CA PRO A 27 -4.596 -12.733 -6.441 1.00 0.00 C ATOM 399 C PRO A 27 -3.751 -11.478 -6.213 1.00 0.00 C ATOM 400 O PRO A 27 -3.756 -10.912 -5.121 1.00 0.00 O ATOM 401 CB PRO A 27 -5.557 -12.598 -7.610 1.00 0.00 C ATOM 402 CG PRO A 27 -6.925 -12.341 -6.999 1.00 0.00 C ATOM 403 CD PRO A 27 -6.842 -12.669 -5.517 1.00 0.00 C ATOM 0 HA PRO A 27 -3.870 -13.524 -6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.262 -11.778 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.564 -13.504 -8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.219 -11.301 -7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.682 -12.957 -7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.147 -11.820 -4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.498 -13.500 -5.258 1.00 0.00 H new ATOM 411 N SER A 28 -3.047 -11.079 -7.262 1.00 0.00 N ATOM 412 CA SER A 28 -2.199 -9.901 -7.190 1.00 0.00 C ATOM 413 C SER A 28 -2.874 -8.727 -7.902 1.00 0.00 C ATOM 414 O SER A 28 -2.757 -7.583 -7.466 1.00 0.00 O ATOM 415 CB SER A 28 -0.824 -10.174 -7.804 1.00 0.00 C ATOM 416 OG SER A 28 0.123 -10.596 -6.826 1.00 0.00 O ATOM 0 H SER A 28 -3.046 -11.550 -8.167 1.00 0.00 H new ATOM 0 HA SER A 28 -2.054 -9.647 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.916 -10.940 -8.574 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.460 -9.271 -8.295 1.00 0.00 H new ATOM 0 HG SER A 28 0.612 -11.377 -7.159 1.00 0.00 H new ATOM 422 N LEU A 29 -3.565 -9.050 -8.984 1.00 0.00 N ATOM 423 CA LEU A 29 -4.259 -8.036 -9.760 1.00 0.00 C ATOM 424 C LEU A 29 -5.036 -7.119 -8.814 1.00 0.00 C ATOM 425 O LEU A 29 -4.896 -5.899 -8.871 1.00 0.00 O ATOM 426 CB LEU A 29 -5.128 -8.687 -10.838 1.00 0.00 C ATOM 427 CG LEU A 29 -5.925 -9.920 -10.403 1.00 0.00 C ATOM 428 CD1 LEU A 29 -7.428 -9.687 -10.568 1.00 0.00 C ATOM 429 CD2 LEU A 29 -5.452 -11.169 -11.149 1.00 0.00 C ATOM 0 H LEU A 29 -3.660 -10.000 -9.343 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.544 -7.411 -10.295 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.828 -7.940 -11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.486 -8.969 -11.673 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.741 -10.090 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.971 -10.578 -10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.734 -8.839 -9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.651 -9.478 -11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.034 -12.031 -10.822 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.587 -11.026 -12.221 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.397 -11.342 -10.937 1.00 0.00 H new ATOM 441 N ILE A 30 -5.840 -7.743 -7.964 1.00 0.00 N ATOM 442 CA ILE A 30 -6.640 -6.998 -7.007 1.00 0.00 C ATOM 443 C ILE A 30 -5.713 -6.223 -6.068 1.00 0.00 C ATOM 444 O ILE A 30 -6.094 -5.182 -5.534 1.00 0.00 O ATOM 445 CB ILE A 30 -7.611 -7.931 -6.280 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.567 -7.138 -5.386 1.00 0.00 C ATOM 447 CG2 ILE A 30 -6.855 -9.007 -5.498 1.00 0.00 C ATOM 448 CD1 ILE A 30 -9.276 -6.040 -6.181 1.00 0.00 C ATOM 0 H ILE A 30 -5.954 -8.756 -7.919 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.262 -6.264 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.218 -8.442 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.305 -7.811 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.013 -6.694 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.568 -9.657 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.250 -9.599 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.207 -8.533 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.950 -5.491 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.536 -5.355 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.848 -6.490 -6.992 1.00 0.00 H new ATOM 460 N ALA A 31 -4.514 -6.759 -5.896 1.00 0.00 N ATOM 461 CA ALA A 31 -3.530 -6.131 -5.032 1.00 0.00 C ATOM 462 C ALA A 31 -3.068 -4.816 -5.663 1.00 0.00 C ATOM 463 O ALA A 31 -2.868 -3.824 -4.964 1.00 0.00 O ATOM 464 CB ALA A 31 -2.370 -7.099 -4.789 1.00 0.00 C ATOM 0 H ALA A 31 -4.202 -7.622 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.967 -5.896 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.632 -6.627 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.745 -8.005 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.905 -7.356 -5.741 1.00 0.00 H new ATOM 470 N GLY A 32 -2.913 -4.850 -6.978 1.00 0.00 N ATOM 471 CA GLY A 32 -2.479 -3.673 -7.712 1.00 0.00 C ATOM 472 C GLY A 32 -3.567 -2.598 -7.717 1.00 0.00 C ATOM 473 O GLY A 32 -3.321 -1.458 -7.325 1.00 0.00 O ATOM 0 H GLY A 32 -3.080 -5.674 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.570 -3.274 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.232 -3.950 -8.737 1.00 0.00 H new ATOM 477 N LEU A 33 -4.748 -2.998 -8.164 1.00 0.00 N ATOM 478 CA LEU A 33 -5.875 -2.083 -8.225 1.00 0.00 C ATOM 479 C LEU A 33 -6.039 -1.391 -6.870 1.00 0.00 C ATOM 480 O LEU A 33 -6.089 -0.165 -6.797 1.00 0.00 O ATOM 481 CB LEU A 33 -7.134 -2.813 -8.698 1.00 0.00 C ATOM 482 CG LEU A 33 -8.441 -2.022 -8.612 1.00 0.00 C ATOM 483 CD1 LEU A 33 -8.978 -1.697 -10.007 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.473 -2.761 -7.758 1.00 0.00 C ATOM 0 H LEU A 33 -4.949 -3.944 -8.488 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.691 -1.302 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.985 -3.119 -9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.244 -3.724 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.234 -1.073 -8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.907 -1.135 -9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.244 -1.101 -10.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.166 -2.624 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.393 -2.178 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.682 -3.735 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.080 -2.898 -6.750 1.00 0.00 H new ATOM 496 N PHE A 34 -6.117 -2.209 -5.830 1.00 0.00 N ATOM 497 CA PHE A 34 -6.274 -1.691 -4.481 1.00 0.00 C ATOM 498 C PHE A 34 -5.156 -0.703 -4.140 1.00 0.00 C ATOM 499 O PHE A 34 -5.420 0.391 -3.643 1.00 0.00 O ATOM 500 CB PHE A 34 -6.189 -2.887 -3.530 1.00 0.00 C ATOM 501 CG PHE A 34 -6.497 -2.544 -2.071 1.00 0.00 C ATOM 502 CD1 PHE A 34 -7.776 -2.282 -1.690 1.00 0.00 C ATOM 503 CD2 PHE A 34 -5.492 -2.503 -1.156 1.00 0.00 C ATOM 504 CE1 PHE A 34 -8.062 -1.964 -0.336 1.00 0.00 C ATOM 505 CE2 PHE A 34 -5.778 -2.185 0.198 1.00 0.00 C ATOM 506 CZ PHE A 34 -7.057 -1.923 0.580 1.00 0.00 C ATOM 0 H PHE A 34 -6.074 -3.226 -5.894 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.226 -1.167 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.884 -3.656 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.188 -3.315 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.574 -2.316 -2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.477 -2.712 -1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.077 -1.755 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.980 -2.151 0.925 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.275 -1.683 1.610 1.00 0.00 H new ATOM 516 N VAL A 35 -3.932 -1.124 -4.421 1.00 0.00 N ATOM 517 CA VAL A 35 -2.773 -0.290 -4.150 1.00 0.00 C ATOM 518 C VAL A 35 -2.946 1.060 -4.851 1.00 0.00 C ATOM 519 O VAL A 35 -2.587 2.099 -4.301 1.00 0.00 O ATOM 520 CB VAL A 35 -1.494 -1.019 -4.566 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.391 -0.025 -4.935 1.00 0.00 C ATOM 522 CG2 VAL A 35 -1.026 -1.975 -3.467 1.00 0.00 C ATOM 0 H VAL A 35 -3.717 -2.032 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.686 -0.093 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.720 -1.612 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.507 -0.570 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.724 0.597 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.169 0.607 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.115 -2.480 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.826 -1.412 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.803 -2.715 -3.273 1.00 0.00 H new ATOM 532 N GLY A 36 -3.498 0.999 -6.054 1.00 0.00 N ATOM 533 CA GLY A 36 -3.723 2.203 -6.836 1.00 0.00 C ATOM 534 C GLY A 36 -4.877 3.024 -6.257 1.00 0.00 C ATOM 535 O GLY A 36 -4.856 4.253 -6.308 1.00 0.00 O ATOM 0 H GLY A 36 -3.796 0.135 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.815 2.806 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.945 1.934 -7.869 1.00 0.00 H new ATOM 539 N CYS A 37 -5.857 2.312 -5.721 1.00 0.00 N ATOM 540 CA CYS A 37 -7.018 2.959 -5.134 1.00 0.00 C ATOM 541 C CYS A 37 -6.552 3.782 -3.931 1.00 0.00 C ATOM 542 O CYS A 37 -6.848 4.972 -3.836 1.00 0.00 O ATOM 543 CB CYS A 37 -8.096 1.945 -4.748 1.00 0.00 C ATOM 544 SG CYS A 37 -9.414 1.920 -6.017 1.00 0.00 S ATOM 0 H CYS A 37 -5.871 1.293 -5.681 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.479 3.619 -5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.655 0.953 -4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.519 2.203 -3.777 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.324 1.054 -5.681 1.00 0.00 H new ATOM 550 N LEU A 38 -5.829 3.116 -3.043 1.00 0.00 N ATOM 551 CA LEU A 38 -5.319 3.770 -1.850 1.00 0.00 C ATOM 552 C LEU A 38 -4.303 4.840 -2.256 1.00 0.00 C ATOM 553 O LEU A 38 -4.196 5.878 -1.604 1.00 0.00 O ATOM 554 CB LEU A 38 -4.764 2.737 -0.867 1.00 0.00 C ATOM 555 CG LEU A 38 -3.295 2.353 -1.057 1.00 0.00 C ATOM 556 CD1 LEU A 38 -2.370 3.390 -0.417 1.00 0.00 C ATOM 557 CD2 LEU A 38 -3.026 0.942 -0.530 1.00 0.00 C ATOM 0 H LEU A 38 -5.584 2.129 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.125 4.278 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.890 3.123 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.368 1.833 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.079 2.345 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.332 3.093 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.539 4.363 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.579 3.454 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.975 0.693 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.264 0.899 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.647 0.227 -1.070 1.00 0.00 H new ATOM 569 N ALA A 39 -3.584 4.551 -3.330 1.00 0.00 N ATOM 570 CA ALA A 39 -2.581 5.476 -3.831 1.00 0.00 C ATOM 571 C ALA A 39 -3.257 6.792 -4.221 1.00 0.00 C ATOM 572 O ALA A 39 -2.723 7.869 -3.960 1.00 0.00 O ATOM 573 CB ALA A 39 -1.834 4.834 -5.002 1.00 0.00 C ATOM 0 H ALA A 39 -3.676 3.689 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.845 5.700 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.082 5.528 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.348 3.919 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.540 4.598 -5.798 1.00 0.00 H new ATOM 579 N GLY A 40 -4.421 6.662 -4.840 1.00 0.00 N ATOM 580 CA GLY A 40 -5.175 7.827 -5.269 1.00 0.00 C ATOM 581 C GLY A 40 -5.798 8.548 -4.072 1.00 0.00 C ATOM 582 O GLY A 40 -5.613 9.753 -3.904 1.00 0.00 O ATOM 0 H GLY A 40 -4.860 5.767 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.519 8.510 -5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.959 7.522 -5.963 1.00 0.00 H new ATOM 586 N TYR A 41 -6.523 7.781 -3.272 1.00 0.00 N ATOM 587 CA TYR A 41 -7.174 8.331 -2.096 1.00 0.00 C ATOM 588 C TYR A 41 -6.189 9.144 -1.253 1.00 0.00 C ATOM 589 O TYR A 41 -6.556 10.167 -0.677 1.00 0.00 O ATOM 590 CB TYR A 41 -7.656 7.130 -1.280 1.00 0.00 C ATOM 591 CG TYR A 41 -8.470 7.506 -0.040 1.00 0.00 C ATOM 592 CD1 TYR A 41 -9.837 7.671 -0.135 1.00 0.00 C ATOM 593 CD2 TYR A 41 -7.837 7.682 1.174 1.00 0.00 C ATOM 594 CE1 TYR A 41 -10.603 8.024 1.032 1.00 0.00 C ATOM 595 CE2 TYR A 41 -8.603 8.036 2.341 1.00 0.00 C ATOM 596 CZ TYR A 41 -9.948 8.190 2.212 1.00 0.00 C ATOM 597 OH TYR A 41 -10.671 8.524 3.314 1.00 0.00 O ATOM 0 H TYR A 41 -6.674 6.782 -3.415 1.00 0.00 H new ATOM 0 HA TYR A 41 -7.989 8.995 -2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.263 6.489 -1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.791 6.544 -0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.332 7.535 -1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.767 7.554 1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.673 8.154 0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.120 8.176 3.297 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.072 8.608 4.085 1.00 0.00 H new ATOM 607 N GLY A 42 -4.958 8.657 -1.208 1.00 0.00 N ATOM 608 CA GLY A 42 -3.917 9.325 -0.445 1.00 0.00 C ATOM 609 C GLY A 42 -3.306 10.478 -1.244 1.00 0.00 C ATOM 610 O GLY A 42 -3.182 11.592 -0.737 1.00 0.00 O ATOM 0 H GLY A 42 -4.658 7.808 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.332 9.705 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.139 8.609 -0.180 1.00 0.00 H new ATOM 614 N ALA A 43 -2.941 10.172 -2.480 1.00 0.00 N ATOM 615 CA ALA A 43 -2.347 11.169 -3.354 1.00 0.00 C ATOM 616 C ALA A 43 -3.158 12.463 -3.270 1.00 0.00 C ATOM 617 O ALA A 43 -2.598 13.556 -3.333 1.00 0.00 O ATOM 618 CB ALA A 43 -2.272 10.619 -4.780 1.00 0.00 C ATOM 0 H ALA A 43 -3.045 9.247 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.329 11.397 -3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.826 11.367 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.660 9.717 -4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.276 10.381 -5.131 1.00 0.00 H new ATOM 624 N TYR A 44 -4.465 12.297 -3.130 1.00 0.00 N ATOM 625 CA TYR A 44 -5.359 13.438 -3.037 1.00 0.00 C ATOM 626 C TYR A 44 -4.718 14.573 -2.235 1.00 0.00 C ATOM 627 O TYR A 44 -4.673 15.713 -2.693 1.00 0.00 O ATOM 628 CB TYR A 44 -6.600 12.942 -2.293 1.00 0.00 C ATOM 629 CG TYR A 44 -7.902 13.097 -3.082 1.00 0.00 C ATOM 630 CD1 TYR A 44 -8.191 12.227 -4.113 1.00 0.00 C ATOM 631 CD2 TYR A 44 -8.787 14.107 -2.762 1.00 0.00 C ATOM 632 CE1 TYR A 44 -9.416 12.373 -4.856 1.00 0.00 C ATOM 633 CE2 TYR A 44 -10.012 14.252 -3.504 1.00 0.00 C ATOM 634 CZ TYR A 44 -10.266 13.379 -4.515 1.00 0.00 C ATOM 635 OH TYR A 44 -11.423 13.516 -5.216 1.00 0.00 O ATOM 0 H TYR A 44 -4.926 11.389 -3.079 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.593 13.824 -4.029 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.463 11.891 -2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.690 13.487 -1.353 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.499 11.437 -4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.560 14.788 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.654 11.699 -5.666 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.714 15.037 -3.263 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.932 14.275 -4.862 1.00 0.00 H new ATOM 645 N ARG A 45 -4.238 14.220 -1.051 1.00 0.00 N ATOM 646 CA ARG A 45 -3.602 15.195 -0.181 1.00 0.00 C ATOM 647 C ARG A 45 -2.081 15.139 -0.345 1.00 0.00 C ATOM 648 O ARG A 45 -1.373 16.048 0.087 1.00 0.00 O ATOM 649 CB ARG A 45 -3.960 14.942 1.284 1.00 0.00 C ATOM 650 CG ARG A 45 -5.064 15.893 1.751 1.00 0.00 C ATOM 651 CD ARG A 45 -6.113 15.150 2.580 1.00 0.00 C ATOM 652 NE ARG A 45 -7.113 16.106 3.105 1.00 0.00 N ATOM 653 CZ ARG A 45 -6.948 16.830 4.221 1.00 0.00 C ATOM 654 NH1 ARG A 45 -5.821 16.710 4.936 1.00 0.00 N ATOM 655 NH2 ARG A 45 -7.909 17.673 4.622 1.00 0.00 N ATOM 0 H ARG A 45 -4.277 13.273 -0.674 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.966 16.182 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.287 13.910 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.075 15.073 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.629 16.697 2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.540 16.356 0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.606 14.396 1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.631 14.625 3.405 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.983 16.221 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.089 16.068 4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.695 17.261 5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.767 17.764 4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.783 18.224 5.471 1.00 0.00 H new ATOM 669 N VAL A 46 -1.624 14.063 -0.969 1.00 0.00 N ATOM 670 CA VAL A 46 -0.201 13.877 -1.194 1.00 0.00 C ATOM 671 C VAL A 46 0.445 13.328 0.080 1.00 0.00 C ATOM 672 O VAL A 46 1.625 12.980 0.081 1.00 0.00 O ATOM 673 CB VAL A 46 0.430 15.188 -1.667 1.00 0.00 C ATOM 674 CG1 VAL A 46 1.339 15.780 -0.588 1.00 0.00 C ATOM 675 CG2 VAL A 46 1.193 14.988 -2.978 1.00 0.00 C ATOM 0 H VAL A 46 -2.214 13.311 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.032 13.147 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.375 15.899 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.775 16.711 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.755 15.978 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.135 15.073 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.632 15.935 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.984 14.253 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.507 14.633 -3.747 1.00 0.00 H new ATOM 685 N SER A 47 -0.356 13.268 1.133 1.00 0.00 N ATOM 686 CA SER A 47 0.123 12.768 2.410 1.00 0.00 C ATOM 687 C SER A 47 -0.432 11.365 2.664 1.00 0.00 C ATOM 688 O SER A 47 -1.602 11.098 2.393 1.00 0.00 O ATOM 689 CB SER A 47 -0.268 13.708 3.552 1.00 0.00 C ATOM 690 OG SER A 47 0.150 13.210 4.820 1.00 0.00 O ATOM 0 H SER A 47 -1.334 13.557 1.128 1.00 0.00 H new ATOM 0 HA SER A 47 1.211 12.720 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.177 14.689 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.349 13.845 3.555 1.00 0.00 H new ATOM 0 HG SER A 47 -0.117 13.839 5.523 1.00 0.00 H new ATOM 696 N ASN A 48 0.433 10.505 3.181 1.00 0.00 N ATOM 697 CA ASN A 48 0.044 9.136 3.474 1.00 0.00 C ATOM 698 C ASN A 48 1.300 8.288 3.687 1.00 0.00 C ATOM 699 O ASN A 48 1.407 7.570 4.680 1.00 0.00 O ATOM 700 CB ASN A 48 -0.747 8.528 2.314 1.00 0.00 C ATOM 701 CG ASN A 48 -2.240 8.469 2.641 1.00 0.00 C ATOM 702 OD1 ASN A 48 -2.743 9.173 3.501 1.00 0.00 O ATOM 703 ND2 ASN A 48 -2.920 7.591 1.908 1.00 0.00 N ATOM 0 H ASN A 48 1.402 10.730 3.405 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.579 9.146 4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.592 9.121 1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.377 7.525 2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.924 7.477 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.438 7.032 1.204 1.00 0.00 H new ATOM 710 N ASP A 49 2.217 8.398 2.737 1.00 0.00 N ATOM 711 CA ASP A 49 3.461 7.650 2.808 1.00 0.00 C ATOM 712 C ASP A 49 4.520 8.347 1.951 1.00 0.00 C ATOM 713 O ASP A 49 5.660 8.515 2.382 1.00 0.00 O ATOM 714 CB ASP A 49 3.280 6.229 2.272 1.00 0.00 C ATOM 715 CG ASP A 49 4.236 5.189 2.860 1.00 0.00 C ATOM 716 OD1 ASP A 49 4.882 5.427 3.891 1.00 0.00 O ATOM 717 OD2 ASP A 49 4.304 4.079 2.206 1.00 0.00 O ATOM 0 H ASP A 49 2.124 8.994 1.914 1.00 0.00 H new ATOM 0 HA ASP A 49 3.768 7.605 3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.256 5.911 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.407 6.246 1.190 1.00 0.00 H new ATOM 722 N LYS A 50 4.105 8.735 0.754 1.00 0.00 N ATOM 723 CA LYS A 50 5.004 9.410 -0.167 1.00 0.00 C ATOM 724 C LYS A 50 4.185 10.255 -1.144 1.00 0.00 C ATOM 725 O LYS A 50 2.963 10.335 -1.029 1.00 0.00 O ATOM 726 CB LYS A 50 5.928 8.401 -0.851 1.00 0.00 C ATOM 727 CG LYS A 50 7.364 8.539 -0.342 1.00 0.00 C ATOM 728 CD LYS A 50 8.004 7.166 -0.125 1.00 0.00 C ATOM 729 CE LYS A 50 9.186 7.259 0.841 1.00 0.00 C ATOM 730 NZ LYS A 50 10.456 6.978 0.135 1.00 0.00 N ATOM 0 H LYS A 50 3.158 8.595 0.401 1.00 0.00 H new ATOM 0 HA LYS A 50 5.661 10.092 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.568 7.389 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.905 8.554 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.954 9.110 -1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.370 9.099 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.261 6.473 0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.341 6.763 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.223 8.254 1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.052 6.550 1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.248 7.045 0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.424 6.020 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.589 7.671 -0.629 1.00 0.00 H new ATOM 744 N ARG A 51 4.891 10.864 -2.086 1.00 0.00 N ATOM 745 CA ARG A 51 4.244 11.700 -3.083 1.00 0.00 C ATOM 746 C ARG A 51 3.120 10.927 -3.775 1.00 0.00 C ATOM 747 O ARG A 51 1.952 11.072 -3.419 1.00 0.00 O ATOM 748 CB ARG A 51 5.247 12.179 -4.134 1.00 0.00 C ATOM 749 CG ARG A 51 6.385 11.170 -4.306 1.00 0.00 C ATOM 750 CD ARG A 51 6.820 11.079 -5.770 1.00 0.00 C ATOM 751 NE ARG A 51 6.930 12.436 -6.351 1.00 0.00 N ATOM 752 CZ ARG A 51 7.648 12.730 -7.443 1.00 0.00 C ATOM 753 NH1 ARG A 51 8.326 11.765 -8.079 1.00 0.00 N ATOM 754 NH2 ARG A 51 7.690 13.990 -7.898 1.00 0.00 N ATOM 0 H ARG A 51 5.904 10.795 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 51 3.830 12.568 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.739 12.325 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.655 13.146 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.233 11.465 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.062 10.189 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.779 10.565 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.099 10.489 -6.336 1.00 0.00 H new ATOM 0 HE ARG A 51 6.427 13.195 -5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.295 10.806 -7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.873 11.989 -8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.175 14.725 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.237 14.214 -8.729 1.00 0.00 H new ATOM 768 N ASP A 52 3.512 10.124 -4.753 1.00 0.00 N ATOM 769 CA ASP A 52 2.552 9.328 -5.498 1.00 0.00 C ATOM 770 C ASP A 52 3.287 8.201 -6.227 1.00 0.00 C ATOM 771 O ASP A 52 2.940 7.030 -6.077 1.00 0.00 O ATOM 772 CB ASP A 52 1.829 10.176 -6.547 1.00 0.00 C ATOM 773 CG ASP A 52 0.346 9.851 -6.732 1.00 0.00 C ATOM 774 OD1 ASP A 52 -0.145 8.816 -6.256 1.00 0.00 O ATOM 775 OD2 ASP A 52 -0.324 10.723 -7.405 1.00 0.00 O ATOM 0 H ASP A 52 4.482 10.008 -5.047 1.00 0.00 H new ATOM 0 HA ASP A 52 1.824 8.930 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.923 11.226 -6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.335 10.051 -7.504 1.00 0.00 H new ATOM 780 N VAL A 53 4.288 8.594 -7.001 1.00 0.00 N ATOM 781 CA VAL A 53 5.074 7.631 -7.753 1.00 0.00 C ATOM 782 C VAL A 53 6.001 6.877 -6.797 1.00 0.00 C ATOM 783 O VAL A 53 6.195 5.671 -6.936 1.00 0.00 O ATOM 784 CB VAL A 53 5.827 8.338 -8.882 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.467 7.325 -9.833 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.905 9.295 -9.640 1.00 0.00 C ATOM 0 H VAL A 53 4.573 9.566 -7.123 1.00 0.00 H new ATOM 0 HA VAL A 53 4.425 6.894 -8.225 1.00 0.00 H new ATOM 0 HB VAL A 53 6.627 8.928 -8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.996 7.854 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.170 6.702 -9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.691 6.696 -10.271 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.465 9.785 -10.437 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.075 8.736 -10.071 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.518 10.048 -8.953 1.00 0.00 H new ATOM 796 N LYS A 54 6.549 7.621 -5.847 1.00 0.00 N ATOM 797 CA LYS A 54 7.451 7.038 -4.867 1.00 0.00 C ATOM 798 C LYS A 54 6.706 5.967 -4.068 1.00 0.00 C ATOM 799 O LYS A 54 7.274 4.926 -3.739 1.00 0.00 O ATOM 800 CB LYS A 54 8.076 8.130 -3.998 1.00 0.00 C ATOM 801 CG LYS A 54 9.602 8.115 -4.110 1.00 0.00 C ATOM 802 CD LYS A 54 10.188 9.495 -3.805 1.00 0.00 C ATOM 803 CE LYS A 54 11.652 9.577 -4.241 1.00 0.00 C ATOM 804 NZ LYS A 54 12.282 10.808 -3.714 1.00 0.00 N ATOM 0 H LYS A 54 6.386 8.622 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 54 8.285 6.543 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.695 9.105 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.783 7.984 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.014 7.380 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.893 7.806 -5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.608 10.262 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.111 9.699 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.194 8.702 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.715 9.567 -5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.275 10.848 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.775 11.640 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.239 10.802 -2.675 1.00 0.00 H new ATOM 818 N VAL A 55 5.446 6.258 -3.780 1.00 0.00 N ATOM 819 CA VAL A 55 4.618 5.333 -3.026 1.00 0.00 C ATOM 820 C VAL A 55 4.178 4.187 -3.940 1.00 0.00 C ATOM 821 O VAL A 55 4.016 3.055 -3.488 1.00 0.00 O ATOM 822 CB VAL A 55 3.441 6.079 -2.395 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.505 6.637 -3.470 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.680 5.179 -1.419 1.00 0.00 C ATOM 0 H VAL A 55 4.978 7.122 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 55 5.186 4.895 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 55 3.843 6.921 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.677 7.163 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.055 7.329 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.115 5.818 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.849 5.734 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.297 4.308 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.352 4.853 -0.625 1.00 0.00 H new ATOM 834 N SER A 56 3.997 4.521 -5.209 1.00 0.00 N ATOM 835 CA SER A 56 3.580 3.535 -6.191 1.00 0.00 C ATOM 836 C SER A 56 4.578 2.376 -6.226 1.00 0.00 C ATOM 837 O SER A 56 4.202 1.222 -6.032 1.00 0.00 O ATOM 838 CB SER A 56 3.445 4.162 -7.580 1.00 0.00 C ATOM 839 OG SER A 56 2.299 3.679 -8.275 1.00 0.00 O ATOM 0 H SER A 56 4.132 5.462 -5.580 1.00 0.00 H new ATOM 0 HA SER A 56 2.601 3.155 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.380 5.246 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.340 3.947 -8.163 1.00 0.00 H new ATOM 0 HG SER A 56 2.380 3.894 -9.228 1.00 0.00 H new ATOM 845 N LEU A 57 5.832 2.725 -6.475 1.00 0.00 N ATOM 846 CA LEU A 57 6.888 1.729 -6.538 1.00 0.00 C ATOM 847 C LEU A 57 7.125 1.154 -5.140 1.00 0.00 C ATOM 848 O LEU A 57 7.003 -0.052 -4.932 1.00 0.00 O ATOM 849 CB LEU A 57 8.144 2.319 -7.181 1.00 0.00 C ATOM 850 CG LEU A 57 9.335 1.369 -7.324 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.803 0.868 -5.956 1.00 0.00 C ATOM 852 CD2 LEU A 57 9.005 0.216 -8.274 1.00 0.00 C ATOM 0 H LEU A 57 6.140 3.684 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 57 6.590 0.899 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.881 2.691 -8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.460 3.179 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 57 10.164 1.923 -7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.650 0.195 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.104 1.716 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.988 0.336 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.868 -0.444 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.155 -0.345 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.756 0.615 -9.257 1.00 0.00 H new ATOM 864 N PHE A 58 7.459 2.044 -4.218 1.00 0.00 N ATOM 865 CA PHE A 58 7.715 1.641 -2.846 1.00 0.00 C ATOM 866 C PHE A 58 6.648 0.659 -2.355 1.00 0.00 C ATOM 867 O PHE A 58 6.938 -0.230 -1.557 1.00 0.00 O ATOM 868 CB PHE A 58 7.658 2.907 -1.989 1.00 0.00 C ATOM 869 CG PHE A 58 7.928 2.665 -0.502 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.201 2.704 -0.027 1.00 0.00 C ATOM 871 CD2 PHE A 58 6.894 2.412 0.344 1.00 0.00 C ATOM 872 CE1 PHE A 58 9.452 2.480 1.352 1.00 0.00 C ATOM 873 CE2 PHE A 58 7.144 2.188 1.724 1.00 0.00 C ATOM 874 CZ PHE A 58 8.418 2.227 2.199 1.00 0.00 C ATOM 0 H PHE A 58 7.558 3.044 -4.394 1.00 0.00 H new ATOM 0 HA PHE A 58 8.684 1.147 -2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.387 3.623 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.675 3.364 -2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.022 2.906 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.883 2.381 -0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.464 2.510 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.323 1.987 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.609 2.057 3.248 1.00 0.00 H new ATOM 884 N THR A 59 5.436 0.854 -2.854 1.00 0.00 N ATOM 885 CA THR A 59 4.325 -0.002 -2.477 1.00 0.00 C ATOM 886 C THR A 59 4.452 -1.369 -3.153 1.00 0.00 C ATOM 887 O THR A 59 4.531 -2.395 -2.477 1.00 0.00 O ATOM 888 CB THR A 59 3.026 0.728 -2.824 1.00 0.00 C ATOM 889 OG1 THR A 59 2.917 1.736 -1.823 1.00 0.00 O ATOM 890 CG2 THR A 59 1.788 -0.146 -2.610 1.00 0.00 C ATOM 0 H THR A 59 5.199 1.593 -3.516 1.00 0.00 H new ATOM 0 HA THR A 59 4.326 -0.202 -1.406 1.00 0.00 H new ATOM 0 HB THR A 59 3.061 1.059 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.578 2.439 -1.993 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.894 0.420 -2.871 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.854 -1.032 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.733 -0.450 -1.565 1.00 0.00 H new ATOM 898 N ALA A 60 4.469 -1.340 -4.477 1.00 0.00 N ATOM 899 CA ALA A 60 4.585 -2.564 -5.251 1.00 0.00 C ATOM 900 C ALA A 60 5.595 -3.495 -4.577 1.00 0.00 C ATOM 901 O ALA A 60 5.348 -4.692 -4.444 1.00 0.00 O ATOM 902 CB ALA A 60 4.977 -2.223 -6.690 1.00 0.00 C ATOM 0 H ALA A 60 4.404 -0.488 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 60 3.629 -3.086 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.064 -3.141 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.213 -1.584 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.933 -1.700 -6.692 1.00 0.00 H new ATOM 908 N PHE A 61 6.712 -2.909 -4.170 1.00 0.00 N ATOM 909 CA PHE A 61 7.760 -3.671 -3.513 1.00 0.00 C ATOM 910 C PHE A 61 7.332 -4.091 -2.105 1.00 0.00 C ATOM 911 O PHE A 61 7.546 -5.234 -1.703 1.00 0.00 O ATOM 912 CB PHE A 61 8.981 -2.754 -3.409 1.00 0.00 C ATOM 913 CG PHE A 61 10.307 -3.446 -3.733 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.502 -4.004 -4.957 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.290 -3.503 -2.795 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.733 -4.645 -5.258 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.521 -4.144 -3.095 1.00 0.00 C ATOM 918 CZ PHE A 61 12.716 -4.702 -4.320 1.00 0.00 C ATOM 0 H PHE A 61 6.914 -1.916 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 61 7.976 -4.575 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.848 -1.910 -4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.032 -2.347 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.720 -3.960 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.134 -3.061 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.888 -5.087 -6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.302 -4.188 -2.351 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.652 -5.191 -4.548 1.00 0.00 H new ATOM 928 N PHE A 62 6.736 -3.145 -1.395 1.00 0.00 N ATOM 929 CA PHE A 62 6.276 -3.403 -0.041 1.00 0.00 C ATOM 930 C PHE A 62 5.267 -4.552 -0.015 1.00 0.00 C ATOM 931 O PHE A 62 5.521 -5.593 0.591 1.00 0.00 O ATOM 932 CB PHE A 62 5.590 -2.126 0.449 1.00 0.00 C ATOM 933 CG PHE A 62 5.254 -2.134 1.942 1.00 0.00 C ATOM 934 CD1 PHE A 62 4.241 -2.914 2.407 1.00 0.00 C ATOM 935 CD2 PHE A 62 5.968 -1.361 2.804 1.00 0.00 C ATOM 936 CE1 PHE A 62 3.930 -2.921 3.792 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.656 -1.369 4.189 1.00 0.00 C ATOM 938 CZ PHE A 62 4.644 -2.149 4.654 1.00 0.00 C ATOM 0 H PHE A 62 6.561 -2.198 -1.732 1.00 0.00 H new ATOM 0 HA PHE A 62 7.119 -3.681 0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.236 -1.274 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.671 -1.978 -0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.674 -3.528 1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.772 -0.741 2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.126 -3.540 4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.223 -0.755 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.407 -2.155 5.708 1.00 0.00 H new ATOM 948 N LEU A 63 4.143 -4.326 -0.678 1.00 0.00 N ATOM 949 CA LEU A 63 3.094 -5.330 -0.738 1.00 0.00 C ATOM 950 C LEU A 63 3.679 -6.641 -1.268 1.00 0.00 C ATOM 951 O LEU A 63 3.396 -7.712 -0.733 1.00 0.00 O ATOM 952 CB LEU A 63 1.904 -4.815 -1.551 1.00 0.00 C ATOM 953 CG LEU A 63 0.519 -5.113 -0.975 1.00 0.00 C ATOM 954 CD1 LEU A 63 0.393 -6.587 -0.583 1.00 0.00 C ATOM 955 CD2 LEU A 63 0.199 -4.180 0.195 1.00 0.00 C ATOM 0 H LEU A 63 3.935 -3.462 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 63 2.705 -5.534 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.005 -3.735 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.960 -5.244 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.222 -4.922 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.601 -6.772 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.547 -7.212 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.143 -6.829 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.791 -4.413 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.941 -4.316 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.219 -3.146 -0.148 1.00 0.00 H new ATOM 967 N ALA A 64 4.483 -6.514 -2.314 1.00 0.00 N ATOM 968 CA ALA A 64 5.109 -7.675 -2.922 1.00 0.00 C ATOM 969 C ALA A 64 5.785 -8.512 -1.834 1.00 0.00 C ATOM 970 O ALA A 64 5.669 -9.737 -1.827 1.00 0.00 O ATOM 971 CB ALA A 64 6.093 -7.218 -4.001 1.00 0.00 C ATOM 0 H ALA A 64 4.715 -5.624 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 64 4.362 -8.304 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.563 -8.089 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.559 -6.652 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.859 -6.587 -3.551 1.00 0.00 H new ATOM 977 N THR A 65 6.475 -7.819 -0.941 1.00 0.00 N ATOM 978 CA THR A 65 7.169 -8.484 0.149 1.00 0.00 C ATOM 979 C THR A 65 6.165 -9.035 1.163 1.00 0.00 C ATOM 980 O THR A 65 6.232 -10.207 1.533 1.00 0.00 O ATOM 981 CB THR A 65 8.160 -7.488 0.755 1.00 0.00 C ATOM 982 OG1 THR A 65 9.223 -7.435 -0.192 1.00 0.00 O ATOM 983 CG2 THR A 65 8.822 -8.021 2.028 1.00 0.00 C ATOM 0 H THR A 65 6.569 -6.803 -0.950 1.00 0.00 H new ATOM 0 HA THR A 65 7.730 -9.348 -0.208 1.00 0.00 H new ATOM 0 HB THR A 65 7.644 -6.554 0.977 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.018 -6.765 -0.877 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.516 -7.275 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.057 -8.230 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.366 -8.938 1.799 1.00 0.00 H new ATOM 991 N ILE A 66 5.259 -8.166 1.583 1.00 0.00 N ATOM 992 CA ILE A 66 4.242 -8.551 2.547 1.00 0.00 C ATOM 993 C ILE A 66 3.644 -9.899 2.139 1.00 0.00 C ATOM 994 O ILE A 66 3.608 -10.834 2.938 1.00 0.00 O ATOM 995 CB ILE A 66 3.202 -7.440 2.703 1.00 0.00 C ATOM 996 CG1 ILE A 66 3.786 -6.245 3.461 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.928 -7.969 3.363 1.00 0.00 C ATOM 998 CD1 ILE A 66 4.293 -6.667 4.841 1.00 0.00 C ATOM 0 H ILE A 66 5.207 -7.195 1.274 1.00 0.00 H new ATOM 0 HA ILE A 66 4.684 -8.682 3.535 1.00 0.00 H new ATOM 0 HB ILE A 66 2.927 -7.088 1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.604 -5.810 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.026 -5.472 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.206 -7.159 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.502 -8.762 2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.167 -8.364 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.703 -5.800 5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.468 -7.080 5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.070 -7.423 4.728 1.00 0.00 H new ATOM 1010 N MET A 67 3.190 -9.957 0.896 1.00 0.00 N ATOM 1011 CA MET A 67 2.595 -11.176 0.373 1.00 0.00 C ATOM 1012 C MET A 67 3.643 -12.282 0.236 1.00 0.00 C ATOM 1013 O MET A 67 3.437 -13.398 0.711 1.00 0.00 O ATOM 1014 CB MET A 67 1.971 -10.892 -0.995 1.00 0.00 C ATOM 1015 CG MET A 67 0.443 -10.872 -0.907 1.00 0.00 C ATOM 1016 SD MET A 67 -0.265 -11.436 -2.445 1.00 0.00 S ATOM 1017 CE MET A 67 -0.945 -9.903 -3.055 1.00 0.00 C ATOM 0 H MET A 67 3.222 -9.180 0.236 1.00 0.00 H new ATOM 0 HA MET A 67 1.828 -11.513 1.070 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.330 -9.934 -1.371 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.288 -11.653 -1.708 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.109 -11.510 -0.088 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.096 -9.862 -0.686 1.00 0.00 H new ATOM 0 HE1 MET A 67 -1.591 -10.106 -3.909 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.525 -9.423 -2.267 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.134 -9.242 -3.362 1.00 0.00 H new ATOM 1027 N GLY A 68 4.743 -11.934 -0.415 1.00 0.00 N ATOM 1028 CA GLY A 68 5.823 -12.884 -0.619 1.00 0.00 C ATOM 1029 C GLY A 68 6.047 -13.147 -2.110 1.00 0.00 C ATOM 1030 O GLY A 68 6.336 -14.274 -2.509 1.00 0.00 O ATOM 0 H GLY A 68 4.910 -11.008 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.740 -12.499 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.589 -13.820 -0.112 1.00 0.00 H new ATOM 1034 N VAL A 69 5.905 -12.088 -2.893 1.00 0.00 N ATOM 1035 CA VAL A 69 6.089 -12.190 -4.331 1.00 0.00 C ATOM 1036 C VAL A 69 7.572 -12.407 -4.637 1.00 0.00 C ATOM 1037 O VAL A 69 7.954 -13.452 -5.162 1.00 0.00 O ATOM 1038 CB VAL A 69 5.510 -10.952 -5.021 1.00 0.00 C ATOM 1039 CG1 VAL A 69 5.689 -11.037 -6.538 1.00 0.00 C ATOM 1040 CG2 VAL A 69 4.038 -10.757 -4.652 1.00 0.00 C ATOM 0 H VAL A 69 5.665 -11.155 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 69 5.547 -13.049 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 69 6.062 -10.081 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.269 -10.146 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.751 -11.105 -6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.175 -11.921 -6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.651 -9.871 -5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.466 -11.631 -4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.947 -10.630 -3.573 1.00 0.00 H new ATOM 1050 N ARG A 70 8.367 -11.403 -4.297 1.00 0.00 N ATOM 1051 CA ARG A 70 9.799 -11.471 -4.530 1.00 0.00 C ATOM 1052 C ARG A 70 10.389 -12.710 -3.853 1.00 0.00 C ATOM 1053 O ARG A 70 10.717 -12.677 -2.668 1.00 0.00 O ATOM 1054 CB ARG A 70 10.504 -10.222 -3.996 1.00 0.00 C ATOM 1055 CG ARG A 70 11.665 -9.816 -4.906 1.00 0.00 C ATOM 1056 CD ARG A 70 11.154 -9.119 -6.168 1.00 0.00 C ATOM 1057 NE ARG A 70 12.293 -8.734 -7.030 1.00 0.00 N ATOM 1058 CZ ARG A 70 12.207 -7.859 -8.042 1.00 0.00 C ATOM 1059 NH1 ARG A 70 11.035 -7.275 -8.325 1.00 0.00 N ATOM 1060 NH2 ARG A 70 13.294 -7.570 -8.771 1.00 0.00 N ATOM 0 H ARG A 70 8.046 -10.538 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 70 9.957 -11.531 -5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.791 -9.401 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.876 -10.412 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.339 -9.151 -4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.242 -10.699 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.483 -9.782 -6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.577 -8.235 -5.897 1.00 0.00 H new ATOM 0 HE ARG A 70 13.200 -9.161 -6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.208 -7.496 -7.770 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.970 -6.609 -9.095 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.186 -8.016 -8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.229 -6.904 -9.541 1.00 0.00 H new ATOM 1074 N PHE A 71 10.505 -13.773 -4.635 1.00 0.00 N ATOM 1075 CA PHE A 71 11.049 -15.021 -4.125 1.00 0.00 C ATOM 1076 C PHE A 71 11.426 -15.962 -5.271 1.00 0.00 C ATOM 1077 O PHE A 71 10.555 -16.461 -5.981 1.00 0.00 O ATOM 1078 CB PHE A 71 9.954 -15.675 -3.282 1.00 0.00 C ATOM 1079 CG PHE A 71 10.483 -16.587 -2.173 1.00 0.00 C ATOM 1080 CD1 PHE A 71 10.982 -16.046 -1.029 1.00 0.00 C ATOM 1081 CD2 PHE A 71 10.454 -17.937 -2.331 1.00 0.00 C ATOM 1082 CE1 PHE A 71 11.473 -16.892 0.000 1.00 0.00 C ATOM 1083 CE2 PHE A 71 10.945 -18.783 -1.301 1.00 0.00 C ATOM 1084 CZ PHE A 71 11.444 -18.243 -0.157 1.00 0.00 C ATOM 0 H PHE A 71 10.232 -13.796 -5.617 1.00 0.00 H new ATOM 0 HA PHE A 71 11.948 -14.825 -3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.340 -14.894 -2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.304 -16.256 -3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 71 11.005 -14.974 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.058 -18.366 -3.239 1.00 0.00 H new ATOM 0 HE1 PHE A 71 11.870 -16.463 0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.922 -19.855 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.817 -18.886 0.626 1.00 0.00 H new ATOM 1094 N LYS A 72 12.726 -16.177 -5.414 1.00 0.00 N ATOM 1095 CA LYS A 72 13.229 -17.050 -6.461 1.00 0.00 C ATOM 1096 C LYS A 72 13.128 -16.334 -7.809 1.00 0.00 C ATOM 1097 O LYS A 72 14.137 -15.903 -8.364 1.00 0.00 O ATOM 1098 CB LYS A 72 12.508 -18.399 -6.426 1.00 0.00 C ATOM 1099 CG LYS A 72 13.507 -19.557 -6.485 1.00 0.00 C ATOM 1100 CD LYS A 72 12.978 -20.777 -5.729 1.00 0.00 C ATOM 1101 CE LYS A 72 13.372 -22.075 -6.437 1.00 0.00 C ATOM 1102 NZ LYS A 72 12.975 -23.248 -5.628 1.00 0.00 N ATOM 0 H LYS A 72 13.446 -15.762 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 72 14.283 -17.273 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.913 -18.474 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.816 -18.468 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.699 -19.824 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.459 -19.243 -6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.373 -20.779 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.893 -20.717 -5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.894 -22.122 -7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.448 -22.091 -6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.250 -24.120 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.451 -23.210 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.945 -23.240 -5.487 1.00 0.00 H new ATOM 1116 N ARG A 73 11.900 -16.229 -8.297 1.00 0.00 N ATOM 1117 CA ARG A 73 11.654 -15.573 -9.569 1.00 0.00 C ATOM 1118 C ARG A 73 10.254 -14.956 -9.587 1.00 0.00 C ATOM 1119 O ARG A 73 9.396 -15.334 -8.791 1.00 0.00 O ATOM 1120 CB ARG A 73 11.784 -16.558 -10.732 1.00 0.00 C ATOM 1121 CG ARG A 73 12.783 -16.049 -11.774 1.00 0.00 C ATOM 1122 CD ARG A 73 12.713 -16.883 -13.054 1.00 0.00 C ATOM 1123 NE ARG A 73 13.806 -16.493 -13.973 1.00 0.00 N ATOM 1124 CZ ARG A 73 13.954 -16.978 -15.213 1.00 0.00 C ATOM 1125 NH1 ARG A 73 13.080 -17.875 -15.691 1.00 0.00 N ATOM 1126 NH2 ARG A 73 14.976 -16.567 -15.976 1.00 0.00 N ATOM 0 H ARG A 73 11.065 -16.588 -7.834 1.00 0.00 H new ATOM 0 HA ARG A 73 12.402 -14.789 -9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 73 12.108 -17.529 -10.356 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.810 -16.706 -11.199 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.573 -15.005 -12.004 1.00 0.00 H new ATOM 0 HG3 ARG A 73 13.793 -16.088 -11.365 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.791 -17.943 -12.812 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.748 -16.737 -13.540 1.00 0.00 H new ATOM 0 HE ARG A 73 14.489 -15.812 -13.641 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.302 -18.188 -15.111 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.193 -18.244 -16.635 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.642 -15.885 -15.613 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.088 -16.936 -16.920 1.00 0.00 H new ATOM 1140 N SER A 74 10.067 -14.017 -10.503 1.00 0.00 N ATOM 1141 CA SER A 74 8.785 -13.345 -10.634 1.00 0.00 C ATOM 1142 C SER A 74 8.437 -13.167 -12.113 1.00 0.00 C ATOM 1143 O SER A 74 7.486 -13.771 -12.608 1.00 0.00 O ATOM 1144 CB SER A 74 8.799 -11.989 -9.925 1.00 0.00 C ATOM 1145 OG SER A 74 9.986 -11.252 -10.206 1.00 0.00 O ATOM 0 H SER A 74 10.781 -13.706 -11.161 1.00 0.00 H new ATOM 0 HA SER A 74 8.024 -13.964 -10.160 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.930 -11.409 -10.235 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.713 -12.141 -8.849 1.00 0.00 H new ATOM 0 HG SER A 74 9.956 -10.392 -9.737 1.00 0.00 H new ATOM 1151 N LYS A 75 9.225 -12.335 -12.778 1.00 0.00 N ATOM 1152 CA LYS A 75 9.012 -12.070 -14.190 1.00 0.00 C ATOM 1153 C LYS A 75 7.558 -11.648 -14.412 1.00 0.00 C ATOM 1154 O LYS A 75 6.926 -12.069 -15.380 1.00 0.00 O ATOM 1155 CB LYS A 75 9.437 -13.275 -15.032 1.00 0.00 C ATOM 1156 CG LYS A 75 10.306 -12.839 -16.214 1.00 0.00 C ATOM 1157 CD LYS A 75 10.775 -14.049 -17.025 1.00 0.00 C ATOM 1158 CE LYS A 75 10.898 -13.699 -18.509 1.00 0.00 C ATOM 1159 NZ LYS A 75 11.321 -14.884 -19.288 1.00 0.00 N ATOM 0 H LYS A 75 10.012 -11.835 -12.364 1.00 0.00 H new ATOM 0 HA LYS A 75 9.639 -11.242 -14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.989 -13.981 -14.411 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.553 -13.797 -15.399 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.741 -12.163 -16.856 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.170 -12.284 -15.849 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.738 -14.393 -16.648 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.071 -14.871 -16.899 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.942 -13.333 -18.883 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.621 -12.894 -18.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.400 -14.629 -20.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.244 -15.216 -18.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.617 -15.642 -19.177 1.00 0.00 H new ATOM 1173 N LYS A 76 7.069 -10.822 -13.499 1.00 0.00 N ATOM 1174 CA LYS A 76 5.702 -10.338 -13.582 1.00 0.00 C ATOM 1175 C LYS A 76 4.755 -11.528 -13.756 1.00 0.00 C ATOM 1176 O LYS A 76 4.005 -11.592 -14.728 1.00 0.00 O ATOM 1177 CB LYS A 76 5.572 -9.284 -14.683 1.00 0.00 C ATOM 1178 CG LYS A 76 6.317 -8.002 -14.304 1.00 0.00 C ATOM 1179 CD LYS A 76 7.664 -7.917 -15.025 1.00 0.00 C ATOM 1180 CE LYS A 76 8.286 -6.528 -14.864 1.00 0.00 C ATOM 1181 NZ LYS A 76 8.061 -5.717 -16.081 1.00 0.00 N ATOM 0 H LYS A 76 7.596 -10.475 -12.697 1.00 0.00 H new ATOM 0 HA LYS A 76 5.419 -9.836 -12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.971 -9.678 -15.618 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.519 -9.060 -14.855 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.708 -7.135 -14.559 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.475 -7.974 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.342 -8.671 -14.626 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.528 -8.138 -16.084 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.851 -6.026 -14.000 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.355 -6.621 -14.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.489 -4.777 -15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.496 -6.190 -16.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.039 -5.613 -16.245 1.00 0.00 H new ATOM 1195 N ILE A 77 4.820 -12.440 -12.797 1.00 0.00 N ATOM 1196 CA ILE A 77 3.978 -13.623 -12.832 1.00 0.00 C ATOM 1197 C ILE A 77 3.040 -13.612 -11.623 1.00 0.00 C ATOM 1198 O ILE A 77 1.825 -13.729 -11.774 1.00 0.00 O ATOM 1199 CB ILE A 77 4.833 -14.887 -12.934 1.00 0.00 C ATOM 1200 CG1 ILE A 77 5.588 -14.932 -14.264 1.00 0.00 C ATOM 1201 CG2 ILE A 77 3.987 -16.142 -12.712 1.00 0.00 C ATOM 1202 CD1 ILE A 77 6.650 -16.034 -14.255 1.00 0.00 C ATOM 0 H ILE A 77 5.443 -12.383 -11.991 1.00 0.00 H new ATOM 0 HA ILE A 77 3.351 -13.617 -13.724 1.00 0.00 H new ATOM 0 HB ILE A 77 5.580 -14.859 -12.140 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.886 -15.106 -15.079 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.061 -13.968 -14.451 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.620 -17.026 -12.790 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.535 -16.106 -11.721 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.202 -16.190 -13.467 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.172 -16.044 -15.212 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.365 -15.844 -13.454 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.171 -17.000 -14.093 1.00 0.00 H new ATOM 1214 N MET A 78 3.640 -13.469 -10.450 1.00 0.00 N ATOM 1215 CA MET A 78 2.873 -13.441 -9.216 1.00 0.00 C ATOM 1216 C MET A 78 2.193 -12.084 -9.024 1.00 0.00 C ATOM 1217 O MET A 78 0.986 -12.017 -8.798 1.00 0.00 O ATOM 1218 CB MET A 78 3.801 -13.719 -8.032 1.00 0.00 C ATOM 1219 CG MET A 78 3.308 -14.917 -7.218 1.00 0.00 C ATOM 1220 SD MET A 78 4.138 -16.403 -7.754 1.00 0.00 S ATOM 1221 CE MET A 78 3.815 -17.462 -6.354 1.00 0.00 C ATOM 0 H MET A 78 4.648 -13.371 -10.328 1.00 0.00 H new ATOM 0 HA MET A 78 2.101 -14.208 -9.272 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.811 -13.912 -8.394 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.855 -12.838 -7.393 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.495 -14.748 -6.158 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.230 -15.029 -7.337 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.267 -18.439 -6.525 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.241 -17.017 -5.455 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.739 -17.578 -6.226 1.00 0.00 H new ATOM 1231 N PRO A 79 3.018 -11.008 -9.124 1.00 0.00 N ATOM 1232 CA PRO A 79 2.509 -9.656 -8.964 1.00 0.00 C ATOM 1233 C PRO A 79 1.727 -9.215 -10.203 1.00 0.00 C ATOM 1234 O PRO A 79 0.509 -9.374 -10.261 1.00 0.00 O ATOM 1235 CB PRO A 79 3.739 -8.802 -8.702 1.00 0.00 C ATOM 1236 CG PRO A 79 4.926 -9.619 -9.184 1.00 0.00 C ATOM 1237 CD PRO A 79 4.453 -11.049 -9.392 1.00 0.00 C ATOM 0 HA PRO A 79 1.797 -9.568 -8.143 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.676 -7.853 -9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.832 -8.567 -7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.320 -9.208 -10.113 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.734 -9.587 -8.453 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.657 -11.390 -10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.962 -11.737 -8.717 1.00 0.00 H new ATOM 1245 N ALA A 80 2.459 -8.669 -11.162 1.00 0.00 N ATOM 1246 CA ALA A 80 1.849 -8.203 -12.396 1.00 0.00 C ATOM 1247 C ALA A 80 1.006 -6.960 -12.105 1.00 0.00 C ATOM 1248 O ALA A 80 1.277 -5.884 -12.634 1.00 0.00 O ATOM 1249 CB ALA A 80 1.027 -9.334 -13.018 1.00 0.00 C ATOM 0 H ALA A 80 3.469 -8.539 -11.110 1.00 0.00 H new ATOM 0 HA ALA A 80 2.613 -7.920 -13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.569 -8.985 -13.944 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.678 -10.182 -13.232 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.247 -9.643 -12.322 1.00 0.00 H new ATOM 1255 N GLY A 81 -0.001 -7.151 -11.265 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.886 -6.058 -10.898 1.00 0.00 C ATOM 1257 C GLY A 81 -0.178 -5.066 -9.973 1.00 0.00 C ATOM 1258 O GLY A 81 -0.454 -3.868 -10.014 1.00 0.00 O ATOM 0 H GLY A 81 -0.224 -8.046 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.226 -5.543 -11.797 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.772 -6.454 -10.402 1.00 0.00 H new ATOM 1262 N LEU A 82 0.721 -5.602 -9.161 1.00 0.00 N ATOM 1263 CA LEU A 82 1.471 -4.778 -8.228 1.00 0.00 C ATOM 1264 C LEU A 82 2.250 -3.714 -9.004 1.00 0.00 C ATOM 1265 O LEU A 82 2.052 -2.519 -8.794 1.00 0.00 O ATOM 1266 CB LEU A 82 2.351 -5.651 -7.330 1.00 0.00 C ATOM 1267 CG LEU A 82 2.021 -5.624 -5.837 1.00 0.00 C ATOM 1268 CD1 LEU A 82 0.508 -5.616 -5.610 1.00 0.00 C ATOM 1269 CD2 LEU A 82 2.704 -6.779 -5.103 1.00 0.00 C ATOM 0 H LEU A 82 0.947 -6.596 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 82 0.793 -4.251 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.282 -6.681 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.388 -5.340 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 82 2.415 -4.698 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.301 -5.597 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.074 -4.733 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.070 -6.512 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.453 -6.736 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.363 -7.727 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.784 -6.698 -5.223 1.00 0.00 H new ATOM 1281 N VAL A 83 3.118 -4.188 -9.886 1.00 0.00 N ATOM 1282 CA VAL A 83 3.927 -3.292 -10.695 1.00 0.00 C ATOM 1283 C VAL A 83 3.032 -2.585 -11.715 1.00 0.00 C ATOM 1284 O VAL A 83 2.858 -1.369 -11.656 1.00 0.00 O ATOM 1285 CB VAL A 83 5.076 -4.067 -11.343 1.00 0.00 C ATOM 1286 CG1 VAL A 83 5.832 -3.191 -12.344 1.00 0.00 C ATOM 1287 CG2 VAL A 83 6.024 -4.630 -10.283 1.00 0.00 C ATOM 0 H VAL A 83 3.279 -5.180 -10.058 1.00 0.00 H new ATOM 0 HA VAL A 83 4.382 -2.521 -10.073 1.00 0.00 H new ATOM 0 HB VAL A 83 4.647 -4.907 -11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.644 -3.766 -12.790 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.149 -2.860 -13.126 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.243 -2.322 -11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.832 -5.176 -10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.442 -3.811 -9.697 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.475 -5.304 -9.625 1.00 0.00 H new ATOM 1297 N ALA A 84 2.489 -3.378 -12.628 1.00 0.00 N ATOM 1298 CA ALA A 84 1.617 -2.843 -13.659 1.00 0.00 C ATOM 1299 C ALA A 84 0.670 -1.814 -13.038 1.00 0.00 C ATOM 1300 O ALA A 84 0.261 -0.862 -13.700 1.00 0.00 O ATOM 1301 CB ALA A 84 0.866 -3.991 -14.339 1.00 0.00 C ATOM 0 H ALA A 84 2.636 -4.386 -12.675 1.00 0.00 H new ATOM 0 HA ALA A 84 2.199 -2.333 -14.427 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.211 -3.590 -15.113 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.582 -4.678 -14.790 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.269 -4.524 -13.599 1.00 0.00 H new ATOM 1307 N GLY A 85 0.349 -2.041 -11.772 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.542 -1.146 -11.054 1.00 0.00 C ATOM 1309 C GLY A 85 0.159 0.172 -10.719 1.00 0.00 C ATOM 1310 O GLY A 85 -0.347 1.247 -11.040 1.00 0.00 O ATOM 0 H GLY A 85 0.690 -2.832 -11.226 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.428 -0.948 -11.657 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.882 -1.625 -10.136 1.00 0.00 H new ATOM 1314 N LEU A 86 1.311 0.047 -10.078 1.00 0.00 N ATOM 1315 CA LEU A 86 2.086 1.215 -9.696 1.00 0.00 C ATOM 1316 C LEU A 86 2.212 2.154 -10.898 1.00 0.00 C ATOM 1317 O LEU A 86 2.076 3.368 -10.758 1.00 0.00 O ATOM 1318 CB LEU A 86 3.432 0.794 -9.102 1.00 0.00 C ATOM 1319 CG LEU A 86 4.590 0.658 -10.093 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.237 2.016 -10.370 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.609 -0.374 -9.607 1.00 0.00 C ATOM 0 H LEU A 86 1.727 -0.846 -9.813 1.00 0.00 H new ATOM 0 HA LEU A 86 1.575 1.770 -8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.715 1.522 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.300 -0.162 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 86 4.189 0.294 -11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.057 1.891 -11.077 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.494 2.694 -10.791 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.621 2.433 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.422 -0.451 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.010 -0.063 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.123 -1.344 -9.503 1.00 0.00 H new ATOM 1333 N SER A 87 2.469 1.555 -12.052 1.00 0.00 N ATOM 1334 CA SER A 87 2.614 2.323 -13.277 1.00 0.00 C ATOM 1335 C SER A 87 1.279 2.970 -13.650 1.00 0.00 C ATOM 1336 O SER A 87 1.205 4.183 -13.844 1.00 0.00 O ATOM 1337 CB SER A 87 3.115 1.442 -14.423 1.00 0.00 C ATOM 1338 OG SER A 87 3.921 2.172 -15.344 1.00 0.00 O ATOM 0 H SER A 87 2.580 0.547 -12.164 1.00 0.00 H new ATOM 0 HA SER A 87 3.354 3.105 -13.105 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.691 0.611 -14.016 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.263 1.012 -14.949 1.00 0.00 H new ATOM 0 HG SER A 87 4.223 1.574 -16.060 1.00 0.00 H new ATOM 1344 N LEU A 88 0.256 2.133 -13.740 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.072 2.608 -14.086 1.00 0.00 C ATOM 1346 C LEU A 88 -1.443 3.781 -13.176 1.00 0.00 C ATOM 1347 O LEU A 88 -2.275 4.612 -13.537 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.080 1.458 -14.047 1.00 0.00 C ATOM 1349 CG LEU A 88 -3.078 1.401 -15.206 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.426 -0.046 -15.560 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -4.326 2.230 -14.896 1.00 0.00 C ATOM 0 H LEU A 88 0.321 1.128 -13.579 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.088 2.981 -15.110 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.528 0.518 -14.022 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.640 1.524 -13.114 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.607 1.843 -16.084 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.137 -0.058 -16.386 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.520 -0.577 -15.853 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.869 -0.536 -14.693 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.019 2.173 -15.736 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.809 1.840 -14.000 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.041 3.269 -14.731 1.00 0.00 H new ATOM 1363 N MET A 89 -0.808 3.811 -12.014 1.00 0.00 N ATOM 1364 CA MET A 89 -1.060 4.868 -11.050 1.00 0.00 C ATOM 1365 C MET A 89 -0.324 6.152 -11.439 1.00 0.00 C ATOM 1366 O MET A 89 -0.952 7.145 -11.803 1.00 0.00 O ATOM 1367 CB MET A 89 -0.599 4.415 -9.663 1.00 0.00 C ATOM 1368 CG MET A 89 -1.441 5.068 -8.565 1.00 0.00 C ATOM 1369 SD MET A 89 -0.491 6.333 -7.738 1.00 0.00 S ATOM 1370 CE MET A 89 -0.755 7.700 -8.855 1.00 0.00 C ATOM 0 H MET A 89 -0.119 3.120 -11.718 1.00 0.00 H new ATOM 0 HA MET A 89 -2.130 5.075 -11.037 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.674 3.330 -9.587 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.451 4.672 -9.523 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.343 5.503 -8.997 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.763 4.315 -7.846 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.189 7.971 -9.328 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.475 7.411 -9.620 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.140 8.555 -8.299 1.00 0.00 H new ATOM 1380 N MET A 90 0.996 6.090 -11.349 1.00 0.00 N ATOM 1381 CA MET A 90 1.824 7.235 -11.686 1.00 0.00 C ATOM 1382 C MET A 90 1.399 7.843 -13.025 1.00 0.00 C ATOM 1383 O MET A 90 1.674 9.011 -13.295 1.00 0.00 O ATOM 1384 CB MET A 90 3.289 6.801 -11.765 1.00 0.00 C ATOM 1385 CG MET A 90 3.560 6.015 -13.049 1.00 0.00 C ATOM 1386 SD MET A 90 4.654 6.942 -14.112 1.00 0.00 S ATOM 1387 CE MET A 90 5.896 5.702 -14.436 1.00 0.00 C ATOM 0 H MET A 90 1.513 5.264 -11.047 1.00 0.00 H new ATOM 0 HA MET A 90 1.701 7.990 -10.909 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.934 7.679 -11.729 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.537 6.187 -10.899 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.006 5.050 -12.807 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.622 5.813 -13.566 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.662 6.117 -15.090 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.352 5.389 -13.496 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.434 4.841 -14.919 1.00 0.00 H new ATOM 1397 N ILE A 91 0.736 7.023 -13.827 1.00 0.00 N ATOM 1398 CA ILE A 91 0.271 7.465 -15.130 1.00 0.00 C ATOM 1399 C ILE A 91 -1.104 8.118 -14.982 1.00 0.00 C ATOM 1400 O ILE A 91 -1.337 9.209 -15.500 1.00 0.00 O ATOM 1401 CB ILE A 91 0.297 6.306 -16.130 1.00 0.00 C ATOM 1402 CG1 ILE A 91 1.712 6.075 -16.664 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.712 6.533 -17.258 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.839 4.686 -17.294 1.00 0.00 C ATOM 0 H ILE A 91 0.510 6.055 -13.599 1.00 0.00 H new ATOM 0 HA ILE A 91 0.942 8.222 -15.537 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.003 5.397 -15.608 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.955 6.838 -17.404 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.432 6.178 -15.852 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.673 5.696 -17.955 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.715 6.610 -16.839 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.467 7.455 -17.785 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.854 4.547 -17.666 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.619 3.925 -16.545 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.134 4.596 -18.121 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.981 7.423 -14.271 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.327 7.921 -14.048 1.00 0.00 C ATOM 1418 C LEU A 92 -3.252 9.325 -13.443 1.00 0.00 C ATOM 1419 O LEU A 92 -4.182 10.117 -13.586 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.132 6.930 -13.205 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.065 7.543 -12.158 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.163 6.556 -11.757 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.275 8.045 -10.947 1.00 0.00 C ATOM 0 H LEU A 92 -1.785 6.519 -13.842 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.863 8.008 -14.993 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.728 6.312 -13.877 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.434 6.265 -12.696 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.557 8.408 -12.603 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.812 7.017 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.751 6.289 -12.635 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.710 5.658 -11.338 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.961 8.476 -10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.738 7.212 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.562 8.805 -11.267 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.137 9.590 -12.779 1.00 0.00 N ATOM 1436 CA ARG A 93 -1.929 10.884 -12.152 1.00 0.00 C ATOM 1437 C ARG A 93 -1.129 11.801 -13.079 1.00 0.00 C ATOM 1438 O ARG A 93 -1.469 12.972 -13.244 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.183 10.738 -10.824 1.00 0.00 C ATOM 1440 CG ARG A 93 -2.095 11.077 -9.643 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.721 12.428 -9.030 1.00 0.00 C ATOM 1442 NE ARG A 93 -2.511 12.663 -7.801 1.00 0.00 N ATOM 1443 CZ ARG A 93 -2.215 13.594 -6.884 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.145 14.383 -7.052 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -2.989 13.736 -5.799 1.00 0.00 N ATOM 0 H ARG A 93 -1.368 8.931 -12.661 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.909 11.321 -11.960 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.813 9.718 -10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.313 11.395 -10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.133 11.100 -9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.020 10.297 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.656 12.449 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.906 13.226 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.332 12.080 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.556 14.275 -7.878 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.919 15.092 -6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.803 13.135 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.764 14.445 -5.101 1.00 0.00 H new ATOM 1459 N LEU A 94 -0.083 11.234 -13.662 1.00 0.00 N ATOM 1460 CA LEU A 94 0.767 11.987 -14.569 1.00 0.00 C ATOM 1461 C LEU A 94 -0.070 12.491 -15.746 1.00 0.00 C ATOM 1462 O LEU A 94 0.332 13.418 -16.447 1.00 0.00 O ATOM 1463 CB LEU A 94 1.976 11.149 -14.989 1.00 0.00 C ATOM 1464 CG LEU A 94 2.882 11.766 -16.056 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.225 12.189 -15.457 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.058 10.817 -17.243 1.00 0.00 C ATOM 0 H LEU A 94 0.195 10.262 -13.524 1.00 0.00 H new ATOM 0 HA LEU A 94 1.175 12.865 -14.068 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.578 10.946 -14.103 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.617 10.188 -15.357 1.00 0.00 H new ATOM 0 HG LEU A 94 2.399 12.667 -16.434 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.850 12.624 -16.237 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.057 12.927 -14.672 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.726 11.318 -15.035 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.706 11.281 -17.986 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.507 9.885 -16.900 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.086 10.608 -17.689 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.220 11.858 -15.927 1.00 0.00 N ATOM 1479 CA VAL A 95 -2.118 12.230 -17.007 1.00 0.00 C ATOM 1480 C VAL A 95 -2.778 13.570 -16.676 1.00 0.00 C ATOM 1481 O VAL A 95 -2.387 14.608 -17.208 1.00 0.00 O ATOM 1482 CB VAL A 95 -3.130 11.110 -17.256 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -4.219 11.563 -18.231 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.434 9.845 -17.761 1.00 0.00 C ATOM 0 H VAL A 95 -1.551 11.089 -15.343 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.564 12.361 -17.937 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.608 10.872 -16.306 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.926 10.749 -18.391 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.744 12.423 -17.816 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.764 11.840 -19.182 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.176 9.064 -17.930 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.917 10.063 -18.695 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.713 9.505 -17.018 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.769 13.504 -15.799 1.00 0.00 N ATOM 1495 CA LEU A 96 -4.488 14.700 -15.391 1.00 0.00 C ATOM 1496 C LEU A 96 -3.485 15.814 -15.088 1.00 0.00 C ATOM 1497 O LEU A 96 -3.789 16.993 -15.265 1.00 0.00 O ATOM 1498 CB LEU A 96 -5.429 14.387 -14.226 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.822 14.492 -12.825 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.346 15.728 -12.092 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.058 13.209 -12.027 1.00 0.00 C ATOM 0 H LEU A 96 -4.091 12.642 -15.360 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.126 15.056 -16.200 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.282 15.063 -14.282 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.815 13.376 -14.358 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.744 14.612 -12.928 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.899 15.779 -11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.083 16.624 -12.655 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.430 15.664 -11.999 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.617 13.311 -11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.129 13.032 -11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.597 12.368 -12.545 1.00 0.00 H new ATOM 1513 N LEU A 97 -2.309 15.403 -14.638 1.00 0.00 N ATOM 1514 CA LEU A 97 -1.259 16.352 -14.309 1.00 0.00 C ATOM 1515 C LEU A 97 -1.877 17.573 -13.625 1.00 0.00 C ATOM 1516 O LEU A 97 -1.680 18.703 -14.069 1.00 0.00 O ATOM 1517 CB LEU A 97 -0.437 16.694 -15.554 1.00 0.00 C ATOM 1518 CG LEU A 97 0.991 17.182 -15.301 1.00 0.00 C ATOM 1519 CD1 LEU A 97 1.855 17.019 -16.553 1.00 0.00 C ATOM 1520 CD2 LEU A 97 0.994 18.623 -14.787 1.00 0.00 C ATOM 0 H LEU A 97 -2.060 14.425 -14.493 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.556 15.912 -13.602 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.390 15.809 -16.189 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.968 17.462 -16.116 1.00 0.00 H new ATOM 0 HG LEU A 97 1.432 16.561 -14.522 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.865 17.373 -16.347 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.890 15.967 -16.836 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.426 17.601 -17.369 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.021 18.946 -14.615 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.528 19.274 -15.527 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.435 18.677 -13.853 1.00 0.00 H new ATOM 1532 N LEU A 98 -2.613 17.304 -12.557 1.00 0.00 N ATOM 1533 CA LEU A 98 -3.261 18.367 -11.808 1.00 0.00 C ATOM 1534 C LEU A 98 -3.780 19.427 -12.781 1.00 0.00 C ATOM 1535 O LEU A 98 -3.625 20.624 -12.542 1.00 0.00 O ATOM 1536 CB LEU A 98 -2.317 18.922 -10.740 1.00 0.00 C ATOM 1537 CG LEU A 98 -1.260 17.951 -10.208 1.00 0.00 C ATOM 1538 CD1 LEU A 98 0.126 18.298 -10.754 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -1.279 17.904 -8.679 1.00 0.00 C ATOM 0 H LEU A 98 -2.775 16.365 -12.192 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.125 17.980 -11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.807 19.793 -11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.917 19.271 -9.899 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.505 16.950 -10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.859 17.593 -10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.113 18.239 -11.842 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.395 19.309 -10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.519 17.207 -8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.072 18.898 -8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.260 17.574 -8.337 1.00 0.00 H new ATOM 1551 N LEU A 99 -4.387 18.950 -13.858 1.00 0.00 N ATOM 1552 CA LEU A 99 -4.930 19.842 -14.868 1.00 0.00 C ATOM 1553 C LEU A 99 -5.589 21.041 -14.182 1.00 0.00 C ATOM 1554 O LEU A 99 -5.854 22.058 -14.822 1.00 0.00 O ATOM 1555 CB LEU A 99 -5.867 19.080 -15.808 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.362 19.344 -15.623 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -7.780 20.642 -16.316 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -8.192 18.148 -16.096 1.00 0.00 C ATOM 0 H LEU A 99 -4.515 17.957 -14.053 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.132 20.234 -15.499 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.599 19.327 -16.835 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.688 18.012 -15.680 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.557 19.471 -14.558 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.848 20.806 -16.169 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.223 21.477 -15.891 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.568 20.570 -17.383 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.251 18.361 -15.954 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.997 17.965 -17.153 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.919 17.265 -15.519 1.00 0.00 H new TER 1570 LEU A 99