USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 3 THR OG1 : rot -173:sc= 0.536 USER MOD Set 1.2: A 53 GLN : amide:sc= 0.591 K(o=1.1,f=0.59) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0133 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -130:sc= 0.987 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= 1.27 (180deg=0.461) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 83:sc=-0.00422 USER MOD Single : A 33 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.64) USER MOD Single : A 40 SER OG : rot 180:sc= 0.102 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 73:sc= 1.11 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= 2.35 (180deg=2.29) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 67 ASN : amide:sc= 0.872 K(o=0.87,f=-5.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.5!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 76 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.048) USER MOD Single : A 79 ASN : amide:sc= 1.03 K(o=1,f=-0.00082) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.991 6.592 6.085 1.00 0.00 N ATOM 2 CA ALA A 1 -7.080 5.441 6.271 1.00 0.00 C ATOM 3 C ALA A 1 -7.875 4.183 6.593 1.00 0.00 C ATOM 4 O ALA A 1 -8.842 4.229 7.353 1.00 0.00 O ATOM 5 CB ALA A 1 -6.075 5.732 7.375 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.545 7.452 6.462 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.187 6.719 5.072 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.882 6.415 6.591 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.534 5.277 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.413 4.875 7.499 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.487 6.610 7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.605 5.919 8.309 1.00 0.00 H new ATOM 13 N THR A 2 -7.465 3.059 6.019 1.00 0.00 N ATOM 14 CA THR A 2 -8.174 1.808 6.216 1.00 0.00 C ATOM 15 C THR A 2 -7.733 1.117 7.501 1.00 0.00 C ATOM 16 O THR A 2 -6.550 0.826 7.690 1.00 0.00 O ATOM 17 CB THR A 2 -7.964 0.845 5.029 1.00 0.00 C ATOM 18 OG1 THR A 2 -8.131 1.546 3.790 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.945 -0.319 5.093 1.00 0.00 C ATOM 0 H THR A 2 -6.646 2.991 5.415 1.00 0.00 H new ATOM 0 HA THR A 2 -9.233 2.058 6.288 1.00 0.00 H new ATOM 0 HB THR A 2 -6.950 0.450 5.089 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.994 0.927 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.777 -0.984 4.246 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.796 -0.870 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.965 0.063 5.058 1.00 0.00 H new ATOM 27 N THR A 3 -8.688 0.878 8.385 1.00 0.00 N ATOM 28 CA THR A 3 -8.444 0.101 9.587 1.00 0.00 C ATOM 29 C THR A 3 -8.688 -1.373 9.286 1.00 0.00 C ATOM 30 O THR A 3 -9.830 -1.797 9.116 1.00 0.00 O ATOM 31 CB THR A 3 -9.367 0.547 10.739 1.00 0.00 C ATOM 32 OG1 THR A 3 -9.708 1.937 10.584 1.00 0.00 O ATOM 33 CG2 THR A 3 -8.699 0.328 12.088 1.00 0.00 C ATOM 0 H THR A 3 -9.646 1.214 8.290 1.00 0.00 H new ATOM 0 HA THR A 3 -7.411 0.260 9.897 1.00 0.00 H new ATOM 0 HB THR A 3 -10.274 -0.056 10.703 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.202 2.243 11.373 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.371 0.651 12.883 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.470 -0.730 12.213 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.776 0.907 12.135 1.00 0.00 H new ATOM 41 N ILE A 4 -7.614 -2.140 9.199 1.00 0.00 N ATOM 42 CA ILE A 4 -7.708 -3.528 8.784 1.00 0.00 C ATOM 43 C ILE A 4 -8.091 -4.432 9.950 1.00 0.00 C ATOM 44 O ILE A 4 -7.509 -4.360 11.035 1.00 0.00 O ATOM 45 CB ILE A 4 -6.385 -4.014 8.146 1.00 0.00 C ATOM 46 CG1 ILE A 4 -6.135 -3.263 6.839 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.427 -5.516 7.894 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.674 -2.993 6.565 1.00 0.00 C ATOM 0 H ILE A 4 -6.667 -1.824 9.410 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.495 -3.586 8.032 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.568 -3.809 8.837 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.550 -3.841 6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.672 -2.315 6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.487 -5.836 7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.575 -6.039 8.839 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.250 -5.749 7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.574 -2.457 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.258 -2.389 7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.134 -3.938 6.505 1.00 0.00 H new ATOM 60 N GLY A 5 -9.095 -5.262 9.713 1.00 0.00 N ATOM 61 CA GLY A 5 -9.525 -6.231 10.685 1.00 0.00 C ATOM 62 C GLY A 5 -9.707 -7.594 10.045 1.00 0.00 C ATOM 63 O GLY A 5 -9.367 -7.773 8.874 1.00 0.00 O ATOM 0 H GLY A 5 -9.627 -5.276 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.791 -6.297 11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.463 -5.908 11.136 1.00 0.00 H new ATOM 67 N PRO A 6 -10.262 -8.569 10.774 1.00 0.00 N ATOM 68 CA PRO A 6 -10.439 -9.934 10.263 1.00 0.00 C ATOM 69 C PRO A 6 -11.435 -10.006 9.110 1.00 0.00 C ATOM 70 O PRO A 6 -11.339 -10.877 8.250 1.00 0.00 O ATOM 71 CB PRO A 6 -10.965 -10.707 11.473 1.00 0.00 C ATOM 72 CG PRO A 6 -11.564 -9.673 12.363 1.00 0.00 C ATOM 73 CD PRO A 6 -10.755 -8.425 12.153 1.00 0.00 C ATOM 0 HA PRO A 6 -9.510 -10.334 9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.706 -11.448 11.175 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.162 -11.244 11.977 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.612 -9.505 12.115 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.530 -9.989 13.406 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.362 -7.527 12.271 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.935 -8.352 12.868 1.00 0.00 H new ATOM 81 N ASN A 7 -12.381 -9.076 9.086 1.00 0.00 N ATOM 82 CA ASN A 7 -13.429 -9.089 8.072 1.00 0.00 C ATOM 83 C ASN A 7 -13.092 -8.164 6.910 1.00 0.00 C ATOM 84 O ASN A 7 -13.955 -7.831 6.100 1.00 0.00 O ATOM 85 CB ASN A 7 -14.777 -8.696 8.679 1.00 0.00 C ATOM 86 CG ASN A 7 -15.555 -9.899 9.172 1.00 0.00 C ATOM 87 OD1 ASN A 7 -16.059 -10.695 8.377 1.00 0.00 O ATOM 88 ND2 ASN A 7 -15.650 -10.045 10.483 1.00 0.00 N ATOM 0 H ASN A 7 -12.445 -8.307 9.753 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.497 -10.107 7.688 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.613 -8.007 9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.368 -8.164 7.934 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -16.156 -10.841 10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.217 -9.362 11.105 1.00 0.00 H new ATOM 95 N THR A 8 -11.838 -7.738 6.835 1.00 0.00 N ATOM 96 CA THR A 8 -11.379 -6.935 5.711 1.00 0.00 C ATOM 97 C THR A 8 -10.925 -7.837 4.565 1.00 0.00 C ATOM 98 O THR A 8 -10.899 -7.430 3.404 1.00 0.00 O ATOM 99 CB THR A 8 -10.232 -5.994 6.133 1.00 0.00 C ATOM 100 OG1 THR A 8 -10.530 -5.417 7.412 1.00 0.00 O ATOM 101 CG2 THR A 8 -10.027 -4.883 5.114 1.00 0.00 C ATOM 0 H THR A 8 -11.124 -7.934 7.536 1.00 0.00 H new ATOM 0 HA THR A 8 -12.214 -6.323 5.371 1.00 0.00 H new ATOM 0 HB THR A 8 -9.315 -6.581 6.191 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.410 -4.445 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.212 -4.237 5.440 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.780 -5.318 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.942 -4.297 5.026 1.00 0.00 H new ATOM 109 N CYS A 9 -10.578 -9.069 4.904 1.00 0.00 N ATOM 110 CA CYS A 9 -10.200 -10.062 3.913 1.00 0.00 C ATOM 111 C CYS A 9 -10.884 -11.384 4.228 1.00 0.00 C ATOM 112 O CYS A 9 -10.499 -12.092 5.160 1.00 0.00 O ATOM 113 CB CYS A 9 -8.683 -10.243 3.875 1.00 0.00 C ATOM 114 SG CYS A 9 -8.075 -11.121 2.396 1.00 0.00 S ATOM 0 H CYS A 9 -10.551 -9.406 5.866 1.00 0.00 H new ATOM 0 HA CYS A 9 -10.522 -9.717 2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.209 -9.262 3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.371 -10.791 4.764 1.00 0.00 H new ATOM 119 N SER A 10 -11.904 -11.706 3.449 1.00 0.00 N ATOM 120 CA SER A 10 -12.725 -12.880 3.707 1.00 0.00 C ATOM 121 C SER A 10 -12.447 -13.990 2.695 1.00 0.00 C ATOM 122 O SER A 10 -13.341 -14.764 2.339 1.00 0.00 O ATOM 123 CB SER A 10 -14.204 -12.487 3.671 1.00 0.00 C ATOM 124 OG SER A 10 -14.367 -11.094 3.908 1.00 0.00 O ATOM 0 H SER A 10 -12.185 -11.169 2.629 1.00 0.00 H new ATOM 0 HA SER A 10 -12.473 -13.265 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.630 -12.747 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.753 -13.054 4.423 1.00 0.00 H new ATOM 0 HG SER A 10 -15.320 -10.866 3.878 1.00 0.00 H new ATOM 130 N ILE A 11 -11.204 -14.076 2.246 1.00 0.00 N ATOM 131 CA ILE A 11 -10.821 -15.077 1.266 1.00 0.00 C ATOM 132 C ILE A 11 -9.952 -16.148 1.916 1.00 0.00 C ATOM 133 O ILE A 11 -9.413 -15.943 3.006 1.00 0.00 O ATOM 134 CB ILE A 11 -10.076 -14.457 0.063 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.287 -12.940 0.018 1.00 0.00 C ATOM 136 CG2 ILE A 11 -10.546 -15.101 -1.235 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.576 -12.255 -1.130 1.00 0.00 C ATOM 0 H ILE A 11 -10.445 -13.464 2.545 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.739 -15.529 0.891 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.009 -14.648 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.355 -12.734 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.941 -12.507 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.014 -14.656 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.344 -16.172 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.617 -14.937 -1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.774 -11.184 -1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.503 -12.429 -1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.939 -12.659 -2.075 1.00 0.00 H new ATOM 149 N ASP A 12 -9.823 -17.281 1.243 1.00 0.00 N ATOM 150 CA ASP A 12 -9.135 -18.443 1.799 1.00 0.00 C ATOM 151 C ASP A 12 -7.631 -18.220 1.925 1.00 0.00 C ATOM 152 O ASP A 12 -6.914 -18.160 0.921 1.00 0.00 O ATOM 153 CB ASP A 12 -9.400 -19.674 0.938 1.00 0.00 C ATOM 154 CG ASP A 12 -8.764 -20.927 1.510 1.00 0.00 C ATOM 155 OD1 ASP A 12 -9.278 -21.445 2.523 1.00 0.00 O ATOM 156 OD2 ASP A 12 -7.749 -21.396 0.955 1.00 0.00 O ATOM 0 H ASP A 12 -10.189 -17.424 0.302 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.532 -18.600 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.476 -19.825 0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.015 -19.501 -0.067 1.00 0.00 H new ATOM 161 N ASP A 13 -7.176 -18.096 3.172 1.00 0.00 N ATOM 162 CA ASP A 13 -5.748 -17.981 3.507 1.00 0.00 C ATOM 163 C ASP A 13 -5.091 -16.781 2.836 1.00 0.00 C ATOM 164 O ASP A 13 -3.886 -16.775 2.582 1.00 0.00 O ATOM 165 CB ASP A 13 -4.993 -19.260 3.137 1.00 0.00 C ATOM 166 CG ASP A 13 -4.048 -19.708 4.234 1.00 0.00 C ATOM 167 OD1 ASP A 13 -4.520 -20.308 5.224 1.00 0.00 O ATOM 168 OD2 ASP A 13 -2.825 -19.458 4.117 1.00 0.00 O ATOM 0 H ASP A 13 -7.789 -18.072 3.987 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.693 -17.831 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.709 -20.055 2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.428 -19.093 2.220 1.00 0.00 H new ATOM 173 N TYR A 14 -5.881 -15.758 2.560 1.00 0.00 N ATOM 174 CA TYR A 14 -5.362 -14.551 1.950 1.00 0.00 C ATOM 175 C TYR A 14 -5.057 -13.517 3.020 1.00 0.00 C ATOM 176 O TYR A 14 -5.928 -13.155 3.811 1.00 0.00 O ATOM 177 CB TYR A 14 -6.361 -13.995 0.936 1.00 0.00 C ATOM 178 CG TYR A 14 -6.159 -14.544 -0.456 1.00 0.00 C ATOM 179 CD1 TYR A 14 -5.136 -14.074 -1.266 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.990 -15.531 -0.960 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.941 -14.578 -2.538 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.804 -16.044 -2.228 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.780 -15.562 -3.015 1.00 0.00 C ATOM 184 OH TYR A 14 -5.590 -16.075 -4.277 1.00 0.00 O ATOM 0 H TYR A 14 -6.883 -15.741 2.749 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.438 -14.792 1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.373 -14.226 1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.275 -12.909 0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.480 -13.300 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.798 -15.906 -0.350 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.137 -14.203 -3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.457 -16.819 -2.601 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.267 -16.760 -4.457 1.00 0.00 H new ATOM 194 N LYS A 15 -3.817 -13.059 3.056 1.00 0.00 N ATOM 195 CA LYS A 15 -3.398 -12.079 4.044 1.00 0.00 C ATOM 196 C LYS A 15 -3.579 -10.671 3.493 1.00 0.00 C ATOM 197 O LYS A 15 -3.236 -10.404 2.342 1.00 0.00 O ATOM 198 CB LYS A 15 -1.932 -12.304 4.433 1.00 0.00 C ATOM 199 CG LYS A 15 -1.646 -13.704 4.954 1.00 0.00 C ATOM 200 CD LYS A 15 -0.166 -14.038 4.871 1.00 0.00 C ATOM 201 CE LYS A 15 0.057 -15.443 4.338 1.00 0.00 C ATOM 202 NZ LYS A 15 1.468 -15.881 4.491 1.00 0.00 N ATOM 0 H LYS A 15 -3.082 -13.350 2.412 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.017 -12.196 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.301 -12.113 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.652 -11.578 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.981 -13.784 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.217 -14.432 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.335 -13.318 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.285 -13.946 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.597 -16.138 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.221 -15.479 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.496 -16.903 4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.992 -15.676 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.906 -15.371 5.285 1.00 0.00 H new ATOM 216 N PRO A 16 -4.149 -9.762 4.291 1.00 0.00 N ATOM 217 CA PRO A 16 -4.316 -8.365 3.900 1.00 0.00 C ATOM 218 C PRO A 16 -2.976 -7.641 3.859 1.00 0.00 C ATOM 219 O PRO A 16 -2.131 -7.838 4.729 1.00 0.00 O ATOM 220 CB PRO A 16 -5.212 -7.771 4.999 1.00 0.00 C ATOM 221 CG PRO A 16 -5.703 -8.936 5.794 1.00 0.00 C ATOM 222 CD PRO A 16 -4.672 -10.014 5.637 1.00 0.00 C ATOM 0 HA PRO A 16 -4.745 -8.266 2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.654 -7.076 5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.043 -7.213 4.568 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.828 -8.667 6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.675 -9.272 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.892 -9.942 6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.109 -11.009 5.722 1.00 0.00 H new ATOM 230 N TYR A 17 -2.778 -6.827 2.838 1.00 0.00 N ATOM 231 CA TYR A 17 -1.546 -6.069 2.686 1.00 0.00 C ATOM 232 C TYR A 17 -1.859 -4.614 2.388 1.00 0.00 C ATOM 233 O TYR A 17 -2.766 -4.314 1.610 1.00 0.00 O ATOM 234 CB TYR A 17 -0.698 -6.633 1.544 1.00 0.00 C ATOM 235 CG TYR A 17 0.137 -7.842 1.910 1.00 0.00 C ATOM 236 CD1 TYR A 17 -0.454 -9.070 2.160 1.00 0.00 C ATOM 237 CD2 TYR A 17 1.523 -7.757 1.978 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.305 -10.179 2.472 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.291 -8.861 2.293 1.00 0.00 C ATOM 240 CZ TYR A 17 1.678 -10.072 2.536 1.00 0.00 C ATOM 241 OH TYR A 17 2.436 -11.178 2.845 1.00 0.00 O ATOM 0 H TYR A 17 -3.460 -6.672 2.095 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.990 -6.146 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.358 -6.901 0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.035 -5.848 1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.529 -9.161 2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.007 -6.812 1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.174 -11.127 2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.366 -8.776 2.349 1.00 0.00 H new ATOM 0 HH TYR A 17 3.385 -10.934 2.848 1.00 0.00 H new ATOM 251 N CYS A 18 -1.113 -3.718 3.005 1.00 0.00 N ATOM 252 CA CYS A 18 -1.229 -2.301 2.696 1.00 0.00 C ATOM 253 C CYS A 18 -0.170 -1.925 1.673 1.00 0.00 C ATOM 254 O CYS A 18 1.028 -1.950 1.966 1.00 0.00 O ATOM 255 CB CYS A 18 -1.066 -1.448 3.955 1.00 0.00 C ATOM 256 SG CYS A 18 -1.437 -2.328 5.507 1.00 0.00 S ATOM 0 H CYS A 18 -0.422 -3.942 3.721 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.222 -2.111 2.289 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.043 -1.075 3.998 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.719 -0.579 3.878 1.00 0.00 H new ATOM 261 N CYS A 19 -0.611 -1.577 0.477 1.00 0.00 N ATOM 262 CA CYS A 19 0.302 -1.279 -0.613 1.00 0.00 C ATOM 263 C CYS A 19 0.223 0.187 -1.005 1.00 0.00 C ATOM 264 O CYS A 19 -0.836 0.681 -1.395 1.00 0.00 O ATOM 265 CB CYS A 19 -0.020 -2.158 -1.821 1.00 0.00 C ATOM 266 SG CYS A 19 0.560 -3.874 -1.658 1.00 0.00 S ATOM 0 H CYS A 19 -1.598 -1.494 0.235 1.00 0.00 H new ATOM 0 HA CYS A 19 1.316 -1.489 -0.274 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.099 -2.163 -1.978 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.429 -1.716 -2.710 1.00 0.00 H new ATOM 271 N GLN A 20 1.343 0.883 -0.898 1.00 0.00 N ATOM 272 CA GLN A 20 1.401 2.281 -1.280 1.00 0.00 C ATOM 273 C GLN A 20 1.956 2.409 -2.689 1.00 0.00 C ATOM 274 O GLN A 20 3.152 2.231 -2.917 1.00 0.00 O ATOM 275 CB GLN A 20 2.265 3.069 -0.302 1.00 0.00 C ATOM 276 CG GLN A 20 1.794 4.496 -0.093 1.00 0.00 C ATOM 277 CD GLN A 20 2.926 5.496 -0.167 1.00 0.00 C ATOM 278 OE1 GLN A 20 3.452 5.783 -1.243 1.00 0.00 O ATOM 279 NE2 GLN A 20 3.317 6.028 0.978 1.00 0.00 N ATOM 0 H GLN A 20 2.223 0.502 -0.550 1.00 0.00 H new ATOM 0 HA GLN A 20 0.392 2.692 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.275 2.554 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.292 3.083 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.046 4.742 -0.847 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.306 4.576 0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.855 5.763 1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.081 6.703 0.992 1.00 0.00 H new ATOM 288 N SER A 21 1.078 2.709 -3.628 1.00 0.00 N ATOM 289 CA SER A 21 1.464 2.836 -5.025 1.00 0.00 C ATOM 290 C SER A 21 0.774 4.037 -5.661 1.00 0.00 C ATOM 291 O SER A 21 -0.390 4.316 -5.369 1.00 0.00 O ATOM 292 CB SER A 21 1.114 1.553 -5.786 1.00 0.00 C ATOM 293 OG SER A 21 1.040 0.447 -4.901 1.00 0.00 O ATOM 0 H SER A 21 0.087 2.870 -3.449 1.00 0.00 H new ATOM 0 HA SER A 21 2.542 2.992 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.161 1.678 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.866 1.362 -6.552 1.00 0.00 H new ATOM 0 HG SER A 21 0.814 -0.362 -5.406 1.00 0.00 H new ATOM 299 N MET A 22 1.501 4.748 -6.508 1.00 0.00 N ATOM 300 CA MET A 22 0.967 5.926 -7.178 1.00 0.00 C ATOM 301 C MET A 22 0.492 5.572 -8.586 1.00 0.00 C ATOM 302 O MET A 22 0.886 4.546 -9.146 1.00 0.00 O ATOM 303 CB MET A 22 2.025 7.035 -7.236 1.00 0.00 C ATOM 304 CG MET A 22 3.095 6.820 -8.296 1.00 0.00 C ATOM 305 SD MET A 22 3.356 8.274 -9.325 1.00 0.00 S ATOM 306 CE MET A 22 5.032 8.714 -8.876 1.00 0.00 C ATOM 0 H MET A 22 2.468 4.529 -6.750 1.00 0.00 H new ATOM 0 HA MET A 22 0.113 6.290 -6.606 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.528 7.987 -7.425 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.506 7.115 -6.261 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.033 6.551 -7.810 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.810 5.979 -8.928 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.337 9.600 -9.433 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.079 8.923 -7.807 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.701 7.887 -9.114 1.00 0.00 H new ATOM 316 N SER A 23 -0.345 6.422 -9.152 1.00 0.00 N ATOM 317 CA SER A 23 -0.897 6.191 -10.476 1.00 0.00 C ATOM 318 C SER A 23 -0.310 7.178 -11.482 1.00 0.00 C ATOM 319 O SER A 23 -1.034 7.935 -12.129 1.00 0.00 O ATOM 320 CB SER A 23 -2.420 6.319 -10.427 1.00 0.00 C ATOM 321 OG SER A 23 -2.877 6.500 -9.092 1.00 0.00 O ATOM 0 H SER A 23 -0.660 7.286 -8.711 1.00 0.00 H new ATOM 0 HA SER A 23 -0.635 5.183 -10.798 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.737 7.162 -11.040 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.877 5.426 -10.853 1.00 0.00 H new ATOM 0 HG SER A 23 -3.854 6.581 -9.089 1.00 0.00 H new ATOM 327 N GLY A 24 1.010 7.176 -11.600 1.00 0.00 N ATOM 328 CA GLY A 24 1.674 8.095 -12.503 1.00 0.00 C ATOM 329 C GLY A 24 1.995 7.461 -13.845 1.00 0.00 C ATOM 330 O GLY A 24 1.437 6.418 -14.190 1.00 0.00 O ATOM 0 H GLY A 24 1.634 6.554 -11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.040 8.968 -12.659 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.596 8.450 -12.042 1.00 0.00 H new ATOM 334 N PRO A 25 2.890 8.076 -14.631 1.00 0.00 N ATOM 335 CA PRO A 25 3.297 7.552 -15.934 1.00 0.00 C ATOM 336 C PRO A 25 4.277 6.388 -15.798 1.00 0.00 C ATOM 337 O PRO A 25 5.360 6.535 -15.222 1.00 0.00 O ATOM 338 CB PRO A 25 3.979 8.749 -16.617 1.00 0.00 C ATOM 339 CG PRO A 25 3.811 9.911 -15.689 1.00 0.00 C ATOM 340 CD PRO A 25 3.577 9.331 -14.325 1.00 0.00 C ATOM 0 HA PRO A 25 2.450 7.159 -16.497 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.034 8.545 -16.798 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.524 8.956 -17.586 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.698 10.545 -15.695 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.971 10.535 -15.995 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.511 9.163 -13.789 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.967 9.987 -13.704 1.00 0.00 H new ATOM 348 N ALA A 26 3.889 5.232 -16.313 1.00 0.00 N ATOM 349 CA ALA A 26 4.733 4.047 -16.253 1.00 0.00 C ATOM 350 C ALA A 26 4.979 3.479 -17.647 1.00 0.00 C ATOM 351 O ALA A 26 5.862 2.646 -17.843 1.00 0.00 O ATOM 352 CB ALA A 26 4.109 2.994 -15.349 1.00 0.00 C ATOM 0 H ALA A 26 2.993 5.088 -16.779 1.00 0.00 H new ATOM 0 HA ALA A 26 5.696 4.338 -15.833 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.753 2.115 -15.316 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.995 3.399 -14.343 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.131 2.713 -15.739 1.00 0.00 H new ATOM 358 N GLY A 27 4.192 3.933 -18.614 1.00 0.00 N ATOM 359 CA GLY A 27 4.354 3.475 -19.978 1.00 0.00 C ATOM 360 C GLY A 27 4.928 4.557 -20.866 1.00 0.00 C ATOM 361 O GLY A 27 4.728 4.548 -22.083 1.00 0.00 O ATOM 0 H GLY A 27 3.443 4.612 -18.476 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.010 2.605 -19.994 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.389 3.155 -20.372 1.00 0.00 H new ATOM 365 N SER A 28 5.637 5.489 -20.248 1.00 0.00 N ATOM 366 CA SER A 28 6.216 6.626 -20.944 1.00 0.00 C ATOM 367 C SER A 28 7.491 6.234 -21.690 1.00 0.00 C ATOM 368 O SER A 28 8.483 5.838 -21.074 1.00 0.00 O ATOM 369 CB SER A 28 6.513 7.721 -19.925 1.00 0.00 C ATOM 370 OG SER A 28 6.117 7.308 -18.624 1.00 0.00 O ATOM 0 H SER A 28 5.827 5.477 -19.246 1.00 0.00 H new ATOM 0 HA SER A 28 5.505 6.988 -21.687 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.578 7.953 -19.931 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.986 8.635 -20.200 1.00 0.00 H new ATOM 0 HG SER A 28 6.823 6.757 -18.227 1.00 0.00 H new ATOM 376 N PRO A 29 7.472 6.316 -23.030 1.00 0.00 N ATOM 377 CA PRO A 29 8.628 6.030 -23.864 1.00 0.00 C ATOM 378 C PRO A 29 9.439 7.289 -24.168 1.00 0.00 C ATOM 379 O PRO A 29 9.136 8.025 -25.111 1.00 0.00 O ATOM 380 CB PRO A 29 7.986 5.476 -25.136 1.00 0.00 C ATOM 381 CG PRO A 29 6.623 6.099 -25.209 1.00 0.00 C ATOM 382 CD PRO A 29 6.310 6.687 -23.850 1.00 0.00 C ATOM 0 HA PRO A 29 9.336 5.349 -23.391 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.579 5.728 -26.015 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.918 4.389 -25.098 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.598 6.874 -25.975 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.877 5.354 -25.484 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.186 7.769 -23.901 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.386 6.279 -23.441 1.00 0.00 H new ATOM 390 N GLY A 30 10.462 7.538 -23.364 1.00 0.00 N ATOM 391 CA GLY A 30 11.265 8.732 -23.546 1.00 0.00 C ATOM 392 C GLY A 30 12.745 8.437 -23.648 1.00 0.00 C ATOM 393 O GLY A 30 13.467 9.100 -24.394 1.00 0.00 O ATOM 0 H GLY A 30 10.751 6.938 -22.591 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.940 9.248 -24.449 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.092 9.411 -22.711 1.00 0.00 H new ATOM 397 N LEU A 31 13.208 7.440 -22.907 1.00 0.00 N ATOM 398 CA LEU A 31 14.627 7.122 -22.868 1.00 0.00 C ATOM 399 C LEU A 31 14.955 5.945 -23.779 1.00 0.00 C ATOM 400 O LEU A 31 14.707 4.791 -23.438 1.00 0.00 O ATOM 401 CB LEU A 31 15.067 6.815 -21.435 1.00 0.00 C ATOM 402 CG LEU A 31 15.962 7.877 -20.792 1.00 0.00 C ATOM 403 CD1 LEU A 31 15.648 8.013 -19.311 1.00 0.00 C ATOM 404 CD2 LEU A 31 17.431 7.535 -20.994 1.00 0.00 C ATOM 0 H LEU A 31 12.623 6.839 -22.326 1.00 0.00 H new ATOM 0 HA LEU A 31 15.173 7.994 -23.229 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.178 6.688 -20.817 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.597 5.863 -21.430 1.00 0.00 H new ATOM 0 HG LEU A 31 15.762 8.832 -21.277 1.00 0.00 H new ATOM 0 HD11 LEU A 31 16.294 8.772 -18.870 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.606 8.306 -19.185 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.819 7.058 -18.814 1.00 0.00 H new ATOM 0 HD21 LEU A 31 18.050 8.302 -20.530 1.00 0.00 H new ATOM 0 HD22 LEU A 31 17.646 6.569 -20.537 1.00 0.00 H new ATOM 0 HD23 LEU A 31 17.650 7.488 -22.061 1.00 0.00 H new ATOM 416 N LEU A 32 15.543 6.248 -24.931 1.00 0.00 N ATOM 417 CA LEU A 32 15.917 5.221 -25.898 1.00 0.00 C ATOM 418 C LEU A 32 17.266 4.616 -25.528 1.00 0.00 C ATOM 419 O LEU A 32 17.757 3.697 -26.183 1.00 0.00 O ATOM 420 CB LEU A 32 15.977 5.806 -27.313 1.00 0.00 C ATOM 421 CG LEU A 32 15.105 7.042 -27.541 1.00 0.00 C ATOM 422 CD1 LEU A 32 15.642 7.868 -28.699 1.00 0.00 C ATOM 423 CD2 LEU A 32 13.661 6.637 -27.793 1.00 0.00 C ATOM 0 H LEU A 32 15.772 7.199 -25.219 1.00 0.00 H new ATOM 0 HA LEU A 32 15.158 4.439 -25.878 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.012 6.063 -27.540 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.678 5.034 -28.022 1.00 0.00 H new ATOM 0 HG LEU A 32 15.135 7.656 -26.641 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.009 8.743 -28.846 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.659 8.190 -28.476 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.643 7.264 -29.607 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.056 7.529 -27.953 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.610 6.001 -28.677 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.281 6.090 -26.930 1.00 0.00 H new ATOM 435 N ASN A 33 17.867 5.155 -24.478 1.00 0.00 N ATOM 436 CA ASN A 33 19.124 4.635 -23.965 1.00 0.00 C ATOM 437 C ASN A 33 18.863 3.731 -22.766 1.00 0.00 C ATOM 438 O ASN A 33 19.785 3.203 -22.152 1.00 0.00 O ATOM 439 CB ASN A 33 20.055 5.783 -23.571 1.00 0.00 C ATOM 440 CG ASN A 33 21.479 5.322 -23.321 1.00 0.00 C ATOM 441 OD1 ASN A 33 22.012 4.478 -24.044 1.00 0.00 O ATOM 442 ND2 ASN A 33 22.100 5.878 -22.296 1.00 0.00 N ATOM 0 H ASN A 33 17.502 5.956 -23.963 1.00 0.00 H new ATOM 0 HA ASN A 33 19.608 4.052 -24.748 1.00 0.00 H new ATOM 0 HB2 ASN A 33 20.054 6.534 -24.361 1.00 0.00 H new ATOM 0 HB3 ASN A 33 19.670 6.265 -22.672 1.00 0.00 H new ATOM 0 HD21 ASN A 33 23.060 5.612 -22.076 1.00 0.00 H new ATOM 0 HD22 ASN A 33 21.619 6.573 -21.724 1.00 0.00 H new ATOM 449 N LEU A 34 17.592 3.548 -22.443 1.00 0.00 N ATOM 450 CA LEU A 34 17.212 2.723 -21.311 1.00 0.00 C ATOM 451 C LEU A 34 16.773 1.345 -21.787 1.00 0.00 C ATOM 452 O LEU A 34 16.455 1.158 -22.963 1.00 0.00 O ATOM 453 CB LEU A 34 16.083 3.391 -20.517 1.00 0.00 C ATOM 454 CG LEU A 34 16.412 3.731 -19.059 1.00 0.00 C ATOM 455 CD1 LEU A 34 16.203 2.522 -18.162 1.00 0.00 C ATOM 456 CD2 LEU A 34 17.837 4.250 -18.934 1.00 0.00 C ATOM 0 H LEU A 34 16.808 3.960 -22.949 1.00 0.00 H new ATOM 0 HA LEU A 34 18.078 2.611 -20.659 1.00 0.00 H new ATOM 0 HB2 LEU A 34 15.796 4.309 -21.030 1.00 0.00 H new ATOM 0 HB3 LEU A 34 15.214 2.733 -20.531 1.00 0.00 H new ATOM 0 HG LEU A 34 15.732 4.518 -18.734 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.443 2.787 -17.132 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.163 2.200 -18.221 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.853 1.710 -18.488 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.048 4.485 -17.891 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.534 3.488 -19.283 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.951 5.150 -19.539 1.00 0.00 H new ATOM 468 N ILE A 35 16.760 0.388 -20.874 1.00 0.00 N ATOM 469 CA ILE A 35 16.351 -0.972 -21.186 1.00 0.00 C ATOM 470 C ILE A 35 14.953 -1.234 -20.640 1.00 0.00 C ATOM 471 O ILE A 35 14.486 -0.510 -19.755 1.00 0.00 O ATOM 472 CB ILE A 35 17.325 -2.012 -20.588 1.00 0.00 C ATOM 473 CG1 ILE A 35 17.691 -1.645 -19.147 1.00 0.00 C ATOM 474 CG2 ILE A 35 18.575 -2.123 -21.446 1.00 0.00 C ATOM 475 CD1 ILE A 35 17.197 -2.650 -18.124 1.00 0.00 C ATOM 0 H ILE A 35 17.031 0.530 -19.901 1.00 0.00 H new ATOM 0 HA ILE A 35 16.358 -1.074 -22.271 1.00 0.00 H new ATOM 0 HB ILE A 35 16.827 -2.982 -20.576 1.00 0.00 H new ATOM 0 HG12 ILE A 35 18.775 -1.559 -19.066 1.00 0.00 H new ATOM 0 HG13 ILE A 35 17.275 -0.665 -18.913 1.00 0.00 H new ATOM 0 HG21 ILE A 35 19.251 -2.860 -21.011 1.00 0.00 H new ATOM 0 HG22 ILE A 35 18.298 -2.434 -22.453 1.00 0.00 H new ATOM 0 HG23 ILE A 35 19.073 -1.155 -21.490 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.491 -2.327 -17.125 1.00 0.00 H new ATOM 0 HD12 ILE A 35 16.111 -2.719 -18.177 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.634 -3.627 -18.333 1.00 0.00 H new ATOM 487 N PRO A 36 14.253 -2.245 -21.177 1.00 0.00 N ATOM 488 CA PRO A 36 12.947 -2.654 -20.661 1.00 0.00 C ATOM 489 C PRO A 36 13.039 -3.113 -19.210 1.00 0.00 C ATOM 490 O PRO A 36 13.831 -3.998 -18.875 1.00 0.00 O ATOM 491 CB PRO A 36 12.531 -3.815 -21.578 1.00 0.00 C ATOM 492 CG PRO A 36 13.795 -4.275 -22.221 1.00 0.00 C ATOM 493 CD PRO A 36 14.662 -3.055 -22.335 1.00 0.00 C ATOM 0 HA PRO A 36 12.228 -1.835 -20.663 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.063 -4.618 -21.009 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.806 -3.488 -22.323 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.281 -5.046 -21.622 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.600 -4.709 -23.202 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.721 -3.308 -22.296 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.495 -2.528 -23.275 1.00 0.00 H new ATOM 501 N VAL A 37 12.241 -2.496 -18.347 1.00 0.00 N ATOM 502 CA VAL A 37 12.243 -2.830 -16.928 1.00 0.00 C ATOM 503 C VAL A 37 11.538 -4.163 -16.682 1.00 0.00 C ATOM 504 O VAL A 37 11.152 -4.857 -17.626 1.00 0.00 O ATOM 505 CB VAL A 37 11.568 -1.731 -16.075 1.00 0.00 C ATOM 506 CG1 VAL A 37 12.331 -1.520 -14.775 1.00 0.00 C ATOM 507 CG2 VAL A 37 11.462 -0.420 -16.842 1.00 0.00 C ATOM 0 H VAL A 37 11.583 -1.761 -18.606 1.00 0.00 H new ATOM 0 HA VAL A 37 13.287 -2.908 -16.625 1.00 0.00 H new ATOM 0 HB VAL A 37 10.558 -2.067 -15.841 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.841 -0.743 -14.188 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.345 -2.450 -14.206 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.354 -1.216 -14.999 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.983 0.331 -16.214 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.459 -0.079 -17.119 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.868 -0.573 -17.743 1.00 0.00 H new ATOM 517 N ASP A 38 11.361 -4.506 -15.413 1.00 0.00 N ATOM 518 CA ASP A 38 10.779 -5.781 -15.028 1.00 0.00 C ATOM 519 C ASP A 38 9.263 -5.734 -15.122 1.00 0.00 C ATOM 520 O ASP A 38 8.670 -4.676 -15.343 1.00 0.00 O ATOM 521 CB ASP A 38 11.191 -6.138 -13.596 1.00 0.00 C ATOM 522 CG ASP A 38 11.347 -7.630 -13.373 1.00 0.00 C ATOM 523 OD1 ASP A 38 10.521 -8.412 -13.888 1.00 0.00 O ATOM 524 OD2 ASP A 38 12.299 -8.026 -12.667 1.00 0.00 O ATOM 0 H ASP A 38 11.616 -3.910 -14.626 1.00 0.00 H new ATOM 0 HA ASP A 38 11.149 -6.543 -15.714 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.133 -5.642 -13.361 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.445 -5.750 -12.903 1.00 0.00 H new ATOM 529 N LEU A 39 8.649 -6.885 -14.949 1.00 0.00 N ATOM 530 CA LEU A 39 7.207 -6.995 -14.940 1.00 0.00 C ATOM 531 C LEU A 39 6.691 -6.802 -13.521 1.00 0.00 C ATOM 532 O LEU A 39 5.734 -6.067 -13.290 1.00 0.00 O ATOM 533 CB LEU A 39 6.801 -8.367 -15.465 1.00 0.00 C ATOM 534 CG LEU A 39 6.383 -8.406 -16.934 1.00 0.00 C ATOM 535 CD1 LEU A 39 7.154 -9.489 -17.674 1.00 0.00 C ATOM 536 CD2 LEU A 39 4.887 -8.640 -17.056 1.00 0.00 C ATOM 0 H LEU A 39 9.136 -7.771 -14.811 1.00 0.00 H new ATOM 0 HA LEU A 39 6.775 -6.226 -15.581 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.636 -9.054 -15.323 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.975 -8.740 -14.859 1.00 0.00 H new ATOM 0 HG LEU A 39 6.617 -7.443 -17.387 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.846 -9.505 -18.719 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.222 -9.281 -17.614 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.947 -10.458 -17.220 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.607 -8.665 -18.109 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.628 -9.590 -16.589 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.351 -7.833 -16.557 1.00 0.00 H new ATOM 548 N SER A 40 7.353 -7.469 -12.579 1.00 0.00 N ATOM 549 CA SER A 40 7.015 -7.369 -11.165 1.00 0.00 C ATOM 550 C SER A 40 8.066 -8.095 -10.326 1.00 0.00 C ATOM 551 O SER A 40 9.005 -7.471 -9.821 1.00 0.00 O ATOM 552 CB SER A 40 5.625 -7.963 -10.899 1.00 0.00 C ATOM 553 OG SER A 40 5.389 -9.090 -11.727 1.00 0.00 O ATOM 0 H SER A 40 8.136 -8.092 -12.775 1.00 0.00 H new ATOM 0 HA SER A 40 6.999 -6.316 -10.884 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.544 -8.253 -9.851 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.861 -7.207 -11.081 1.00 0.00 H new ATOM 0 HG SER A 40 4.498 -9.453 -11.539 1.00 0.00 H new ATOM 559 N ALA A 41 7.898 -9.417 -10.203 1.00 0.00 N ATOM 560 CA ALA A 41 8.811 -10.295 -9.453 1.00 0.00 C ATOM 561 C ALA A 41 8.710 -10.082 -7.939 1.00 0.00 C ATOM 562 O ALA A 41 8.578 -11.043 -7.181 1.00 0.00 O ATOM 563 CB ALA A 41 10.251 -10.133 -9.929 1.00 0.00 C ATOM 0 H ALA A 41 7.115 -9.916 -10.626 1.00 0.00 H new ATOM 0 HA ALA A 41 8.497 -11.319 -9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.900 -10.795 -9.356 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.315 -10.388 -10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.568 -9.100 -9.785 1.00 0.00 H new ATOM 569 N SER A 42 8.784 -8.838 -7.498 1.00 0.00 N ATOM 570 CA SER A 42 8.674 -8.517 -6.083 1.00 0.00 C ATOM 571 C SER A 42 7.603 -7.462 -5.856 1.00 0.00 C ATOM 572 O SER A 42 7.119 -6.848 -6.806 1.00 0.00 O ATOM 573 CB SER A 42 10.002 -7.992 -5.548 1.00 0.00 C ATOM 574 OG SER A 42 11.036 -8.109 -6.514 1.00 0.00 O ATOM 0 H SER A 42 8.921 -8.028 -8.103 1.00 0.00 H new ATOM 0 HA SER A 42 8.403 -9.431 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.891 -6.947 -5.258 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.278 -8.545 -4.650 1.00 0.00 H new ATOM 0 HG SER A 42 11.873 -7.762 -6.141 1.00 0.00 H new ATOM 580 N LEU A 43 7.235 -7.268 -4.598 1.00 0.00 N ATOM 581 CA LEU A 43 6.353 -6.182 -4.206 1.00 0.00 C ATOM 582 C LEU A 43 6.665 -5.749 -2.780 1.00 0.00 C ATOM 583 O LEU A 43 6.972 -6.584 -1.923 1.00 0.00 O ATOM 584 CB LEU A 43 4.886 -6.600 -4.335 1.00 0.00 C ATOM 585 CG LEU A 43 4.038 -5.734 -5.278 1.00 0.00 C ATOM 586 CD1 LEU A 43 3.006 -4.940 -4.494 1.00 0.00 C ATOM 587 CD2 LEU A 43 4.924 -4.800 -6.094 1.00 0.00 C ATOM 0 H LEU A 43 7.539 -7.858 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 43 6.521 -5.337 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.849 -7.632 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.432 -6.582 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 43 3.512 -6.395 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.416 -4.333 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.349 -5.626 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.512 -4.291 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.303 -4.195 -6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.481 -4.147 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.622 -5.389 -6.689 1.00 0.00 H new ATOM 599 N GLY A 44 6.598 -4.451 -2.529 1.00 0.00 N ATOM 600 CA GLY A 44 6.952 -3.929 -1.226 1.00 0.00 C ATOM 601 C GLY A 44 5.749 -3.459 -0.441 1.00 0.00 C ATOM 602 O GLY A 44 5.367 -2.292 -0.518 1.00 0.00 O ATOM 0 H GLY A 44 6.304 -3.748 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.472 -4.701 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.648 -3.099 -1.348 1.00 0.00 H new ATOM 606 N CYS A 45 5.145 -4.369 0.308 1.00 0.00 N ATOM 607 CA CYS A 45 4.009 -4.035 1.152 1.00 0.00 C ATOM 608 C CYS A 45 4.091 -4.790 2.468 1.00 0.00 C ATOM 609 O CYS A 45 4.859 -5.736 2.592 1.00 0.00 O ATOM 610 CB CYS A 45 2.693 -4.364 0.452 1.00 0.00 C ATOM 611 SG CYS A 45 2.532 -3.669 -1.226 1.00 0.00 S ATOM 0 H CYS A 45 5.425 -5.349 0.348 1.00 0.00 H new ATOM 0 HA CYS A 45 4.040 -2.963 1.349 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.588 -5.447 0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.869 -3.997 1.064 1.00 0.00 H new ATOM 616 N VAL A 46 3.302 -4.385 3.449 1.00 0.00 N ATOM 617 CA VAL A 46 3.301 -5.057 4.740 1.00 0.00 C ATOM 618 C VAL A 46 1.927 -5.628 5.036 1.00 0.00 C ATOM 619 O VAL A 46 0.921 -5.126 4.532 1.00 0.00 O ATOM 620 CB VAL A 46 3.719 -4.118 5.895 1.00 0.00 C ATOM 621 CG1 VAL A 46 5.137 -4.429 6.348 1.00 0.00 C ATOM 622 CG2 VAL A 46 3.590 -2.656 5.487 1.00 0.00 C ATOM 0 H VAL A 46 2.657 -3.598 3.378 1.00 0.00 H new ATOM 0 HA VAL A 46 4.036 -5.859 4.676 1.00 0.00 H new ATOM 0 HB VAL A 46 3.044 -4.291 6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.414 -3.759 7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.190 -5.461 6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.824 -4.291 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.890 -2.018 6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.232 -2.460 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.555 -2.442 5.222 1.00 0.00 H new ATOM 632 N VAL A 47 1.896 -6.689 5.830 1.00 0.00 N ATOM 633 CA VAL A 47 0.644 -7.322 6.212 1.00 0.00 C ATOM 634 C VAL A 47 -0.182 -6.381 7.081 1.00 0.00 C ATOM 635 O VAL A 47 0.338 -5.752 8.007 1.00 0.00 O ATOM 636 CB VAL A 47 0.884 -8.652 6.961 1.00 0.00 C ATOM 637 CG1 VAL A 47 -0.413 -9.199 7.548 1.00 0.00 C ATOM 638 CG2 VAL A 47 1.514 -9.674 6.031 1.00 0.00 C ATOM 0 H VAL A 47 2.728 -7.130 6.223 1.00 0.00 H new ATOM 0 HA VAL A 47 0.096 -7.544 5.296 1.00 0.00 H new ATOM 0 HB VAL A 47 1.568 -8.454 7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.211 -10.135 8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.828 -8.476 8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.129 -9.378 6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.677 -10.606 6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.849 -9.856 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.468 -9.294 5.666 1.00 0.00 H new ATOM 648 N GLY A 48 -1.458 -6.279 6.754 1.00 0.00 N ATOM 649 CA GLY A 48 -2.359 -5.435 7.498 1.00 0.00 C ATOM 650 C GLY A 48 -2.645 -5.991 8.876 1.00 0.00 C ATOM 651 O GLY A 48 -3.572 -6.782 9.056 1.00 0.00 O ATOM 0 H GLY A 48 -1.889 -6.775 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.929 -4.438 7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.294 -5.329 6.948 1.00 0.00 H new ATOM 655 N VAL A 49 -1.823 -5.601 9.838 1.00 0.00 N ATOM 656 CA VAL A 49 -1.998 -6.018 11.219 1.00 0.00 C ATOM 657 C VAL A 49 -3.338 -5.530 11.758 1.00 0.00 C ATOM 658 O VAL A 49 -3.587 -4.324 11.819 1.00 0.00 O ATOM 659 CB VAL A 49 -0.864 -5.498 12.132 1.00 0.00 C ATOM 660 CG1 VAL A 49 0.013 -6.646 12.603 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.023 -4.437 11.428 1.00 0.00 C ATOM 0 H VAL A 49 -1.021 -4.990 9.684 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.969 -7.108 11.226 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.327 -5.033 13.002 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.805 -6.259 13.244 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.591 -7.360 13.163 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.455 -7.144 11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.765 -4.093 12.098 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.425 -4.864 10.531 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.657 -3.595 11.151 1.00 0.00 H new ATOM 671 N ILE A 50 -4.193 -6.472 12.130 1.00 0.00 N ATOM 672 CA ILE A 50 -5.524 -6.161 12.633 1.00 0.00 C ATOM 673 C ILE A 50 -5.442 -5.236 13.842 1.00 0.00 C ATOM 674 O ILE A 50 -4.886 -5.598 14.881 1.00 0.00 O ATOM 675 CB ILE A 50 -6.296 -7.446 13.008 1.00 0.00 C ATOM 676 CG1 ILE A 50 -6.540 -8.304 11.764 1.00 0.00 C ATOM 677 CG2 ILE A 50 -7.617 -7.101 13.682 1.00 0.00 C ATOM 678 CD1 ILE A 50 -5.645 -9.523 11.679 1.00 0.00 C ATOM 0 H ILE A 50 -3.985 -7.470 12.092 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.065 -5.654 11.834 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.690 -8.017 13.711 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.581 -8.627 11.755 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.389 -7.691 10.875 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.145 -8.019 13.938 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.424 -6.528 14.589 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.229 -6.508 13.002 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.876 -10.081 10.772 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.602 -9.208 11.655 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.812 -10.159 12.549 1.00 0.00 H new ATOM 690 N GLY A 51 -5.985 -4.038 13.686 1.00 0.00 N ATOM 691 CA GLY A 51 -5.928 -3.050 14.741 1.00 0.00 C ATOM 692 C GLY A 51 -5.127 -1.831 14.329 1.00 0.00 C ATOM 693 O GLY A 51 -5.111 -0.817 15.029 1.00 0.00 O ATOM 0 H GLY A 51 -6.467 -3.732 12.841 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.940 -2.746 15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.482 -3.494 15.631 1.00 0.00 H new ATOM 697 N SER A 52 -4.458 -1.934 13.190 1.00 0.00 N ATOM 698 CA SER A 52 -3.666 -0.835 12.666 1.00 0.00 C ATOM 699 C SER A 52 -4.384 -0.176 11.494 1.00 0.00 C ATOM 700 O SER A 52 -5.347 -0.729 10.950 1.00 0.00 O ATOM 701 CB SER A 52 -2.293 -1.342 12.231 1.00 0.00 C ATOM 702 OG SER A 52 -1.927 -2.494 12.972 1.00 0.00 O ATOM 0 H SER A 52 -4.449 -2.773 12.610 1.00 0.00 H new ATOM 0 HA SER A 52 -3.533 -0.091 13.452 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.307 -1.577 11.167 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.548 -0.559 12.375 1.00 0.00 H new ATOM 0 HG SER A 52 -2.455 -3.261 12.666 1.00 0.00 H new ATOM 708 N GLN A 53 -3.919 1.003 11.115 1.00 0.00 N ATOM 709 CA GLN A 53 -4.511 1.734 10.009 1.00 0.00 C ATOM 710 C GLN A 53 -3.469 1.989 8.933 1.00 0.00 C ATOM 711 O GLN A 53 -2.402 2.539 9.205 1.00 0.00 O ATOM 712 CB GLN A 53 -5.099 3.059 10.494 1.00 0.00 C ATOM 713 CG GLN A 53 -6.240 2.884 11.477 1.00 0.00 C ATOM 714 CD GLN A 53 -6.889 4.196 11.861 1.00 0.00 C ATOM 715 OE1 GLN A 53 -6.214 5.136 12.288 1.00 0.00 O ATOM 716 NE2 GLN A 53 -8.200 4.272 11.704 1.00 0.00 N ATOM 0 H GLN A 53 -3.131 1.475 11.559 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.316 1.131 9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.311 3.648 10.963 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.453 3.628 9.634 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.992 2.226 11.041 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.868 2.391 12.375 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.718 3.469 11.347 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.693 5.133 11.939 1.00 0.00 H new ATOM 725 N CYS A 54 -3.777 1.580 7.718 1.00 0.00 N ATOM 726 CA CYS A 54 -2.868 1.771 6.602 1.00 0.00 C ATOM 727 C CYS A 54 -3.412 2.843 5.665 1.00 0.00 C ATOM 728 O CYS A 54 -4.535 2.734 5.167 1.00 0.00 O ATOM 729 CB CYS A 54 -2.661 0.450 5.851 1.00 0.00 C ATOM 730 SG CYS A 54 -1.846 -0.847 6.842 1.00 0.00 S ATOM 0 H CYS A 54 -4.651 1.112 7.477 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.902 2.101 6.985 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.629 0.080 5.513 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.064 0.641 4.959 1.00 0.00 H new ATOM 735 N GLY A 55 -2.621 3.884 5.446 1.00 0.00 N ATOM 736 CA GLY A 55 -3.045 4.972 4.583 1.00 0.00 C ATOM 737 C GLY A 55 -2.693 4.724 3.133 1.00 0.00 C ATOM 738 O GLY A 55 -2.010 5.531 2.504 1.00 0.00 O ATOM 0 H GLY A 55 -1.691 3.996 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.123 5.107 4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.578 5.899 4.915 1.00 0.00 H new ATOM 742 N ALA A 56 -3.166 3.605 2.605 1.00 0.00 N ATOM 743 CA ALA A 56 -2.881 3.211 1.236 1.00 0.00 C ATOM 744 C ALA A 56 -3.936 2.232 0.741 1.00 0.00 C ATOM 745 O ALA A 56 -4.990 2.086 1.363 1.00 0.00 O ATOM 746 CB ALA A 56 -1.493 2.593 1.144 1.00 0.00 C ATOM 0 H ALA A 56 -3.757 2.947 3.113 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.907 4.097 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.292 2.302 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.749 3.321 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.443 1.713 1.786 1.00 0.00 H new ATOM 752 N SER A 57 -3.660 1.566 -0.369 1.00 0.00 N ATOM 753 CA SER A 57 -4.582 0.580 -0.910 1.00 0.00 C ATOM 754 C SER A 57 -4.417 -0.756 -0.184 1.00 0.00 C ATOM 755 O SER A 57 -3.295 -1.203 0.067 1.00 0.00 O ATOM 756 CB SER A 57 -4.331 0.409 -2.407 1.00 0.00 C ATOM 757 OG SER A 57 -3.582 1.500 -2.922 1.00 0.00 O ATOM 0 H SER A 57 -2.806 1.690 -0.912 1.00 0.00 H new ATOM 0 HA SER A 57 -5.604 0.927 -0.760 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.794 -0.523 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.283 0.335 -2.933 1.00 0.00 H new ATOM 0 HG SER A 57 -3.431 1.369 -3.881 1.00 0.00 H new ATOM 763 N VAL A 58 -5.532 -1.386 0.155 1.00 0.00 N ATOM 764 CA VAL A 58 -5.501 -2.649 0.872 1.00 0.00 C ATOM 765 C VAL A 58 -5.917 -3.798 -0.038 1.00 0.00 C ATOM 766 O VAL A 58 -6.997 -3.783 -0.633 1.00 0.00 O ATOM 767 CB VAL A 58 -6.409 -2.617 2.121 1.00 0.00 C ATOM 768 CG1 VAL A 58 -6.487 -3.988 2.781 1.00 0.00 C ATOM 769 CG2 VAL A 58 -5.903 -1.584 3.115 1.00 0.00 C ATOM 0 H VAL A 58 -6.469 -1.042 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.474 -2.807 1.201 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.413 -2.339 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.133 -3.934 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.895 -4.710 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.489 -4.303 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.553 -1.572 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.888 -1.839 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.905 -0.599 2.649 1.00 0.00 H new ATOM 779 N LYS A 59 -5.047 -4.783 -0.144 1.00 0.00 N ATOM 780 CA LYS A 59 -5.286 -5.929 -1.002 1.00 0.00 C ATOM 781 C LYS A 59 -5.047 -7.216 -0.233 1.00 0.00 C ATOM 782 O LYS A 59 -4.557 -7.189 0.892 1.00 0.00 O ATOM 783 CB LYS A 59 -4.376 -5.876 -2.228 1.00 0.00 C ATOM 784 CG LYS A 59 -2.895 -5.816 -1.887 1.00 0.00 C ATOM 785 CD LYS A 59 -2.034 -6.191 -3.079 1.00 0.00 C ATOM 786 CE LYS A 59 -2.358 -5.331 -4.290 1.00 0.00 C ATOM 787 NZ LYS A 59 -1.979 -5.993 -5.562 1.00 0.00 N ATOM 0 H LYS A 59 -4.160 -4.813 0.358 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.323 -5.902 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.562 -6.754 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.638 -5.003 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.638 -4.811 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.684 -6.491 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.981 -6.076 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.188 -7.242 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.425 -5.109 -4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.835 -4.378 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.218 -5.372 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.956 -6.182 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.497 -6.890 -5.654 1.00 0.00 H new ATOM 801 N CYS A 60 -5.401 -8.334 -0.836 1.00 0.00 N ATOM 802 CA CYS A 60 -5.217 -9.631 -0.205 1.00 0.00 C ATOM 803 C CYS A 60 -4.205 -10.451 -0.989 1.00 0.00 C ATOM 804 O CYS A 60 -4.393 -10.724 -2.173 1.00 0.00 O ATOM 805 CB CYS A 60 -6.550 -10.374 -0.119 1.00 0.00 C ATOM 806 SG CYS A 60 -7.744 -9.641 1.047 1.00 0.00 S ATOM 0 H CYS A 60 -5.819 -8.373 -1.765 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.840 -9.480 0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.000 -10.404 -1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.359 -11.406 0.176 1.00 0.00 H new ATOM 811 N CYS A 61 -3.126 -10.837 -0.334 1.00 0.00 N ATOM 812 CA CYS A 61 -2.073 -11.574 -1.003 1.00 0.00 C ATOM 813 C CYS A 61 -1.766 -12.884 -0.290 1.00 0.00 C ATOM 814 O CYS A 61 -1.462 -12.908 0.905 1.00 0.00 O ATOM 815 CB CYS A 61 -0.803 -10.729 -1.099 1.00 0.00 C ATOM 816 SG CYS A 61 -0.884 -9.384 -2.333 1.00 0.00 S ATOM 0 H CYS A 61 -2.957 -10.653 0.655 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.427 -11.807 -2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.594 -10.296 -0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.035 -11.381 -1.345 1.00 0.00 H new ATOM 821 N LYS A 62 -1.875 -13.970 -1.031 1.00 0.00 N ATOM 822 CA LYS A 62 -1.395 -15.255 -0.583 1.00 0.00 C ATOM 823 C LYS A 62 0.063 -15.376 -0.992 1.00 0.00 C ATOM 824 O LYS A 62 0.393 -15.765 -2.121 1.00 0.00 O ATOM 825 CB LYS A 62 -2.232 -16.399 -1.177 1.00 0.00 C ATOM 826 CG LYS A 62 -1.693 -17.787 -0.861 1.00 0.00 C ATOM 827 CD LYS A 62 -1.967 -18.182 0.582 1.00 0.00 C ATOM 828 CE LYS A 62 -1.405 -19.558 0.899 1.00 0.00 C ATOM 829 NZ LYS A 62 -0.873 -19.638 2.283 1.00 0.00 N ATOM 0 H LYS A 62 -2.299 -13.982 -1.959 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.488 -15.330 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.252 -16.322 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.280 -16.277 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.150 -18.516 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.619 -17.812 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.526 -17.444 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.042 -18.176 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.186 -20.307 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.611 -19.797 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.641 -20.626 2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.016 -19.055 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.590 -19.289 2.951 1.00 0.00 H new ATOM 843 N ASP A 63 0.923 -14.947 -0.096 1.00 0.00 N ATOM 844 CA ASP A 63 2.353 -15.042 -0.290 1.00 0.00 C ATOM 845 C ASP A 63 2.966 -15.660 0.948 1.00 0.00 C ATOM 846 O ASP A 63 2.668 -15.236 2.069 1.00 0.00 O ATOM 847 CB ASP A 63 2.947 -13.663 -0.554 1.00 0.00 C ATOM 848 CG ASP A 63 3.924 -13.672 -1.708 1.00 0.00 C ATOM 849 OD1 ASP A 63 3.488 -13.489 -2.870 1.00 0.00 O ATOM 850 OD2 ASP A 63 5.131 -13.843 -1.459 1.00 0.00 O ATOM 0 H ASP A 63 0.650 -14.521 0.790 1.00 0.00 H new ATOM 0 HA ASP A 63 2.569 -15.667 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.143 -12.958 -0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.452 -13.309 0.345 1.00 0.00 H new ATOM 855 N ASP A 64 3.795 -16.665 0.762 1.00 0.00 N ATOM 856 CA ASP A 64 4.301 -17.430 1.885 1.00 0.00 C ATOM 857 C ASP A 64 5.807 -17.265 2.024 1.00 0.00 C ATOM 858 O ASP A 64 6.552 -18.243 2.076 1.00 0.00 O ATOM 859 CB ASP A 64 3.927 -18.902 1.724 1.00 0.00 C ATOM 860 CG ASP A 64 2.692 -19.268 2.520 1.00 0.00 C ATOM 861 OD1 ASP A 64 1.613 -18.689 2.265 1.00 0.00 O ATOM 862 OD2 ASP A 64 2.791 -20.133 3.414 1.00 0.00 O ATOM 0 H ASP A 64 4.132 -16.971 -0.151 1.00 0.00 H new ATOM 0 HA ASP A 64 3.842 -17.050 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.755 -19.118 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.762 -19.525 2.045 1.00 0.00 H new ATOM 867 N VAL A 65 6.241 -16.016 2.070 1.00 0.00 N ATOM 868 CA VAL A 65 7.643 -15.704 2.291 1.00 0.00 C ATOM 869 C VAL A 65 8.031 -16.041 3.727 1.00 0.00 C ATOM 870 O VAL A 65 7.358 -15.633 4.677 1.00 0.00 O ATOM 871 CB VAL A 65 7.944 -14.220 1.980 1.00 0.00 C ATOM 872 CG1 VAL A 65 6.883 -13.304 2.583 1.00 0.00 C ATOM 873 CG2 VAL A 65 9.334 -13.824 2.462 1.00 0.00 C ATOM 0 H VAL A 65 5.640 -15.200 1.957 1.00 0.00 H new ATOM 0 HA VAL A 65 8.240 -16.311 1.610 1.00 0.00 H new ATOM 0 HB VAL A 65 7.918 -14.102 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.122 -12.267 2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.907 -13.555 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.862 -13.435 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.515 -12.775 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.401 -13.973 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.082 -14.441 1.963 1.00 0.00 H new ATOM 883 N THR A 66 9.099 -16.804 3.875 1.00 0.00 N ATOM 884 CA THR A 66 9.531 -17.259 5.183 1.00 0.00 C ATOM 885 C THR A 66 10.404 -16.212 5.860 1.00 0.00 C ATOM 886 O THR A 66 11.146 -15.484 5.196 1.00 0.00 O ATOM 887 CB THR A 66 10.296 -18.585 5.068 1.00 0.00 C ATOM 888 OG1 THR A 66 11.283 -18.491 4.030 1.00 0.00 O ATOM 889 CG2 THR A 66 9.332 -19.714 4.750 1.00 0.00 C ATOM 0 H THR A 66 9.684 -17.122 3.103 1.00 0.00 H new ATOM 0 HA THR A 66 8.642 -17.417 5.794 1.00 0.00 H new ATOM 0 HB THR A 66 10.790 -18.791 6.018 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.769 -19.339 3.963 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.883 -20.651 4.670 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.591 -19.795 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.829 -19.507 3.806 1.00 0.00 H new ATOM 897 N ASN A 67 10.311 -16.126 7.176 1.00 0.00 N ATOM 898 CA ASN A 67 11.077 -15.136 7.913 1.00 0.00 C ATOM 899 C ASN A 67 12.416 -15.700 8.357 1.00 0.00 C ATOM 900 O ASN A 67 12.515 -16.417 9.354 1.00 0.00 O ATOM 901 CB ASN A 67 10.293 -14.616 9.117 1.00 0.00 C ATOM 902 CG ASN A 67 11.169 -13.878 10.119 1.00 0.00 C ATOM 903 OD1 ASN A 67 11.921 -12.969 9.764 1.00 0.00 O ATOM 904 ND2 ASN A 67 11.075 -14.272 11.379 1.00 0.00 N ATOM 0 H ASN A 67 9.718 -16.724 7.752 1.00 0.00 H new ATOM 0 HA ASN A 67 11.264 -14.299 7.240 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.504 -13.948 8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.805 -15.453 9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.638 -13.819 12.099 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.439 -15.029 11.631 1.00 0.00 H new ATOM 911 N THR A 68 13.431 -15.394 7.579 1.00 0.00 N ATOM 912 CA THR A 68 14.805 -15.669 7.954 1.00 0.00 C ATOM 913 C THR A 68 15.465 -14.363 8.361 1.00 0.00 C ATOM 914 O THR A 68 16.417 -14.326 9.137 1.00 0.00 O ATOM 915 CB THR A 68 15.579 -16.304 6.785 1.00 0.00 C ATOM 916 OG1 THR A 68 14.658 -16.903 5.862 1.00 0.00 O ATOM 917 CG2 THR A 68 16.550 -17.357 7.285 1.00 0.00 C ATOM 0 H THR A 68 13.329 -14.947 6.668 1.00 0.00 H new ATOM 0 HA THR A 68 14.816 -16.374 8.785 1.00 0.00 H new ATOM 0 HB THR A 68 16.146 -15.519 6.284 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.155 -17.305 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 68 17.084 -17.790 6.439 1.00 0.00 H new ATOM 0 HG22 THR A 68 17.264 -16.898 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.000 -18.140 7.807 1.00 0.00 H new ATOM 925 N GLY A 69 14.906 -13.296 7.821 1.00 0.00 N ATOM 926 CA GLY A 69 15.336 -11.951 8.125 1.00 0.00 C ATOM 927 C GLY A 69 14.344 -10.961 7.563 1.00 0.00 C ATOM 928 O GLY A 69 14.687 -10.116 6.736 1.00 0.00 O ATOM 0 H GLY A 69 14.135 -13.343 7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.422 -11.821 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.324 -11.770 7.702 1.00 0.00 H new ATOM 932 N ASN A 70 13.099 -11.100 7.991 1.00 0.00 N ATOM 933 CA ASN A 70 12.005 -10.316 7.441 1.00 0.00 C ATOM 934 C ASN A 70 11.521 -9.271 8.437 1.00 0.00 C ATOM 935 O ASN A 70 10.732 -9.573 9.334 1.00 0.00 O ATOM 936 CB ASN A 70 10.844 -11.242 7.069 1.00 0.00 C ATOM 937 CG ASN A 70 10.510 -11.222 5.590 1.00 0.00 C ATOM 938 OD1 ASN A 70 11.332 -10.848 4.751 1.00 0.00 O ATOM 939 ND2 ASN A 70 9.298 -11.639 5.259 1.00 0.00 N ATOM 0 H ASN A 70 12.820 -11.753 8.723 1.00 0.00 H new ATOM 0 HA ASN A 70 12.370 -9.801 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.093 -12.261 7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.961 -10.952 7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.015 -11.659 4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.647 -11.940 5.984 1.00 0.00 H new ATOM 946 N SER A 71 12.004 -8.048 8.286 1.00 0.00 N ATOM 947 CA SER A 71 11.512 -6.934 9.082 1.00 0.00 C ATOM 948 C SER A 71 10.183 -6.459 8.514 1.00 0.00 C ATOM 949 O SER A 71 9.271 -6.064 9.244 1.00 0.00 O ATOM 950 CB SER A 71 12.540 -5.806 9.075 1.00 0.00 C ATOM 951 OG SER A 71 13.801 -6.281 8.631 1.00 0.00 O ATOM 0 H SER A 71 12.736 -7.801 7.620 1.00 0.00 H new ATOM 0 HA SER A 71 11.358 -7.252 10.113 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.199 -5.001 8.424 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.635 -5.388 10.077 1.00 0.00 H new ATOM 0 HG SER A 71 14.447 -5.544 8.631 1.00 0.00 H new ATOM 957 N PHE A 72 10.085 -6.523 7.196 1.00 0.00 N ATOM 958 CA PHE A 72 8.849 -6.250 6.495 1.00 0.00 C ATOM 959 C PHE A 72 8.568 -7.414 5.558 1.00 0.00 C ATOM 960 O PHE A 72 9.498 -8.044 5.053 1.00 0.00 O ATOM 961 CB PHE A 72 8.942 -4.902 5.746 1.00 0.00 C ATOM 962 CG PHE A 72 8.937 -4.994 4.243 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.095 -5.303 3.543 1.00 0.00 C ATOM 964 CD2 PHE A 72 7.774 -4.758 3.532 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.086 -5.373 2.162 1.00 0.00 C ATOM 966 CE2 PHE A 72 7.758 -4.825 2.155 1.00 0.00 C ATOM 967 CZ PHE A 72 8.916 -5.136 1.468 1.00 0.00 C ATOM 0 H PHE A 72 10.864 -6.767 6.584 1.00 0.00 H new ATOM 0 HA PHE A 72 8.020 -6.157 7.196 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.106 -4.275 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.855 -4.395 6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.012 -5.491 4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.865 -4.518 4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.993 -5.613 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.843 -4.635 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.906 -5.194 0.390 1.00 0.00 H new ATOM 977 N LEU A 73 7.300 -7.727 5.351 1.00 0.00 N ATOM 978 CA LEU A 73 6.945 -8.892 4.556 1.00 0.00 C ATOM 979 C LEU A 73 7.030 -8.584 3.071 1.00 0.00 C ATOM 980 O LEU A 73 6.067 -8.122 2.468 1.00 0.00 O ATOM 981 CB LEU A 73 5.537 -9.363 4.913 1.00 0.00 C ATOM 982 CG LEU A 73 5.461 -10.282 6.130 1.00 0.00 C ATOM 983 CD1 LEU A 73 4.914 -9.534 7.335 1.00 0.00 C ATOM 984 CD2 LEU A 73 4.610 -11.501 5.818 1.00 0.00 C ATOM 0 H LEU A 73 6.508 -7.199 5.717 1.00 0.00 H new ATOM 0 HA LEU A 73 7.656 -9.687 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.911 -8.489 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.114 -9.884 4.054 1.00 0.00 H new ATOM 0 HG LEU A 73 6.469 -10.619 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.868 -10.207 8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.567 -8.694 7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.914 -9.164 7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.565 -12.147 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.603 -11.183 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.051 -12.049 4.986 1.00 0.00 H new ATOM 996 N ILE A 74 8.183 -8.854 2.483 1.00 0.00 N ATOM 997 CA ILE A 74 8.366 -8.659 1.058 1.00 0.00 C ATOM 998 C ILE A 74 7.557 -9.695 0.284 1.00 0.00 C ATOM 999 O ILE A 74 7.669 -10.896 0.526 1.00 0.00 O ATOM 1000 CB ILE A 74 9.859 -8.722 0.656 1.00 0.00 C ATOM 1001 CG1 ILE A 74 10.010 -8.661 -0.865 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.523 -9.976 1.213 1.00 0.00 C ATOM 1003 CD1 ILE A 74 10.740 -7.426 -1.350 1.00 0.00 C ATOM 0 H ILE A 74 9.005 -9.209 2.972 1.00 0.00 H new ATOM 0 HA ILE A 74 8.006 -7.661 0.806 1.00 0.00 H new ATOM 0 HB ILE A 74 10.361 -7.856 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.546 -9.547 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.021 -8.692 -1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.571 -9.995 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.454 -9.971 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.019 -10.859 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.811 -7.449 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 74 10.193 -6.535 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 74 11.742 -7.404 -0.922 1.00 0.00 H new ATOM 1015 N ILE A 75 6.735 -9.221 -0.637 1.00 0.00 N ATOM 1016 CA ILE A 75 5.824 -10.091 -1.356 1.00 0.00 C ATOM 1017 C ILE A 75 6.450 -10.573 -2.654 1.00 0.00 C ATOM 1018 O ILE A 75 7.086 -9.801 -3.375 1.00 0.00 O ATOM 1019 CB ILE A 75 4.488 -9.379 -1.685 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.312 -8.126 -0.830 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.309 -10.314 -1.482 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.108 -7.300 -1.220 1.00 0.00 C ATOM 0 H ILE A 75 6.681 -8.238 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 75 5.621 -10.940 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 75 4.522 -9.084 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.220 -8.418 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.208 -7.510 -0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.384 -9.790 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.414 -11.179 -2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.282 -10.645 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.042 -6.425 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.208 -6.978 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.205 -7.900 -1.112 1.00 0.00 H new ATOM 1034 N ASN A 76 6.283 -11.856 -2.933 1.00 0.00 N ATOM 1035 CA ASN A 76 6.732 -12.439 -4.187 1.00 0.00 C ATOM 1036 C ASN A 76 5.730 -12.126 -5.288 1.00 0.00 C ATOM 1037 O ASN A 76 5.987 -12.367 -6.469 1.00 0.00 O ATOM 1038 CB ASN A 76 6.881 -13.955 -4.037 1.00 0.00 C ATOM 1039 CG ASN A 76 7.580 -14.591 -5.218 1.00 0.00 C ATOM 1040 OD1 ASN A 76 8.747 -14.308 -5.489 1.00 0.00 O ATOM 1041 ND2 ASN A 76 6.875 -15.455 -5.933 1.00 0.00 N ATOM 0 H ASN A 76 5.835 -12.519 -2.301 1.00 0.00 H new ATOM 0 HA ASN A 76 7.700 -12.012 -4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.441 -14.173 -3.128 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.894 -14.403 -3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.297 -15.913 -6.741 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.910 -15.663 -5.676 1.00 0.00 H new ATOM 1048 N ALA A 77 4.583 -11.586 -4.872 1.00 0.00 N ATOM 1049 CA ALA A 77 3.485 -11.274 -5.774 1.00 0.00 C ATOM 1050 C ALA A 77 2.975 -12.552 -6.413 1.00 0.00 C ATOM 1051 O ALA A 77 2.593 -12.575 -7.586 1.00 0.00 O ATOM 1052 CB ALA A 77 3.908 -10.258 -6.828 1.00 0.00 C ATOM 0 H ALA A 77 4.394 -11.354 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 77 2.676 -10.821 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.066 -10.045 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.227 -9.338 -6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.733 -10.663 -7.413 1.00 0.00 H new ATOM 1058 N ALA A 78 2.977 -13.620 -5.628 1.00 0.00 N ATOM 1059 CA ALA A 78 2.558 -14.923 -6.106 1.00 0.00 C ATOM 1060 C ALA A 78 1.055 -14.946 -6.325 1.00 0.00 C ATOM 1061 O ALA A 78 0.584 -15.052 -7.459 1.00 0.00 O ATOM 1062 CB ALA A 78 2.981 -16.013 -5.132 1.00 0.00 C ATOM 0 H ALA A 78 3.267 -13.605 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 78 3.047 -15.117 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.657 -16.983 -5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.066 -16.008 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.523 -15.830 -4.160 1.00 0.00 H new ATOM 1068 N ASN A 79 0.300 -14.833 -5.243 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.151 -14.874 -5.324 1.00 0.00 C ATOM 1070 C ASN A 79 -1.763 -13.609 -4.739 1.00 0.00 C ATOM 1071 O ASN A 79 -2.146 -13.586 -3.578 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.675 -16.088 -4.557 1.00 0.00 C ATOM 1073 CG ASN A 79 -0.932 -17.367 -4.896 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.332 -18.119 -5.785 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.161 -17.623 -4.191 1.00 0.00 N ATOM 0 H ASN A 79 0.668 -14.712 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.433 -14.947 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.592 -15.899 -3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.734 -16.220 -4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.702 -18.467 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.461 -16.976 -3.462 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.872 -12.560 -5.532 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.407 -11.305 -5.030 1.00 0.00 C ATOM 1084 C CYS A 80 -3.723 -10.955 -5.712 1.00 0.00 C ATOM 1085 O CYS A 80 -3.832 -10.990 -6.941 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.390 -10.179 -5.223 1.00 0.00 C ATOM 1087 SG CYS A 80 -0.039 -10.190 -3.994 1.00 0.00 S ATOM 0 H CYS A 80 -1.601 -12.549 -6.515 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.603 -11.424 -3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.961 -10.256 -6.222 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.908 -9.221 -5.172 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.720 -10.630 -4.899 1.00 0.00 N ATOM 1093 CA VAL A 81 -6.039 -10.250 -5.388 1.00 0.00 C ATOM 1094 C VAL A 81 -6.547 -9.030 -4.625 1.00 0.00 C ATOM 1095 O VAL A 81 -6.052 -8.714 -3.538 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.066 -11.397 -5.246 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -6.810 -12.487 -6.277 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -7.044 -11.977 -3.842 1.00 0.00 C ATOM 0 H VAL A 81 -4.637 -10.622 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.934 -10.018 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.057 -10.980 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.546 -13.282 -6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.892 -12.066 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.809 -12.894 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.776 -12.782 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.050 -12.369 -3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.290 -11.197 -3.122 1.00 0.00 H new ATOM 1108 N ALA A 82 -7.515 -8.338 -5.197 1.00 0.00 N ATOM 1109 CA ALA A 82 -8.076 -7.150 -4.574 1.00 0.00 C ATOM 1110 C ALA A 82 -9.446 -7.467 -3.991 1.00 0.00 C ATOM 1111 O ALA A 82 -9.776 -6.933 -2.913 1.00 0.00 O ATOM 1112 CB ALA A 82 -8.167 -6.013 -5.584 1.00 0.00 C ATOM 1113 OXT ALA A 82 -10.184 -8.263 -4.612 1.00 0.00 O ATOM 0 H ALA A 82 -7.932 -8.579 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.420 -6.831 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.589 -5.131 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.171 -5.780 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.807 -6.314 -6.414 1.00 0.00 H new TER 1119 ALA A 82