USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -79:sc= 1.25 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 106 GLN : amide:sc= 1.67 K(o=1.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 71 -7.588 3.073 9.036 1.00 1.00 N ATOM 2 CA MET A 71 -6.985 3.368 7.698 1.00 1.00 C ATOM 3 C MET A 71 -6.913 4.878 7.437 1.00 1.00 C ATOM 4 O MET A 71 -7.879 5.594 7.688 1.00 1.00 O ATOM 5 CB MET A 71 -7.669 2.607 6.527 1.00 1.00 C ATOM 6 CG MET A 71 -9.145 2.936 6.228 1.00 1.00 C ATOM 7 SD MET A 71 -10.362 2.340 7.443 1.00 1.00 S ATOM 8 CE MET A 71 -11.896 2.916 6.663 1.00 1.00 C ATOM 0 HA MET A 71 -5.965 2.986 7.736 1.00 1.00 H new ATOM 0 HB2 MET A 71 -7.093 2.796 5.621 1.00 1.00 H new ATOM 0 HB3 MET A 71 -7.598 1.539 6.733 1.00 1.00 H new ATOM 0 HG2 MET A 71 -9.245 4.018 6.145 1.00 1.00 H new ATOM 0 HG3 MET A 71 -9.399 2.517 5.254 1.00 1.00 H new ATOM 0 HE1 MET A 71 -12.747 2.632 7.281 1.00 1.00 H new ATOM 0 HE2 MET A 71 -11.867 4.001 6.561 1.00 1.00 H new ATOM 0 HE3 MET A 71 -11.996 2.462 5.677 1.00 1.00 H new ATOM 20 N SER A 72 -5.767 5.379 6.955 1.00 1.00 N ATOM 21 CA SER A 72 -5.510 6.822 6.749 1.00 1.00 C ATOM 22 C SER A 72 -6.268 7.439 5.559 1.00 1.00 C ATOM 23 O SER A 72 -6.494 8.649 5.532 1.00 1.00 O ATOM 24 CB SER A 72 -4.008 7.058 6.542 1.00 1.00 C ATOM 25 OG SER A 72 -3.240 6.488 7.597 1.00 1.00 O ATOM 0 H SER A 72 -4.977 4.789 6.692 1.00 1.00 H new ATOM 0 HA SER A 72 -5.877 7.315 7.649 1.00 1.00 H new ATOM 0 HB2 SER A 72 -3.698 6.626 5.591 1.00 1.00 H new ATOM 0 HB3 SER A 72 -3.811 8.129 6.485 1.00 1.00 H new ATOM 0 HG SER A 72 -2.288 6.654 7.435 1.00 1.00 H new ATOM 31 N THR A 73 -6.663 6.620 4.576 1.00 1.00 N ATOM 32 CA THR A 73 -7.439 7.022 3.383 1.00 1.00 C ATOM 33 C THR A 73 -8.400 5.909 2.923 1.00 1.00 C ATOM 34 O THR A 73 -8.294 4.766 3.379 1.00 1.00 O ATOM 35 CB THR A 73 -6.507 7.502 2.270 1.00 1.00 C ATOM 36 OG1 THR A 73 -7.247 8.028 1.187 1.00 1.00 O ATOM 37 CG2 THR A 73 -5.551 6.435 1.727 1.00 1.00 C ATOM 0 H THR A 73 -6.446 5.623 4.584 1.00 1.00 H new ATOM 0 HA THR A 73 -8.072 7.866 3.656 1.00 1.00 H new ATOM 0 HB THR A 73 -5.894 8.270 2.743 1.00 1.00 H new ATOM 0 HG1 THR A 73 -6.632 8.331 0.487 1.00 1.00 H new ATOM 0 HG21 THR A 73 -4.930 6.868 0.942 1.00 1.00 H new ATOM 0 HG22 THR A 73 -4.915 6.072 2.534 1.00 1.00 H new ATOM 0 HG23 THR A 73 -6.127 5.605 1.318 1.00 1.00 H new ATOM 45 N VAL A 74 -9.350 6.231 2.037 1.00 1.00 N ATOM 46 CA VAL A 74 -10.384 5.322 1.497 1.00 1.00 C ATOM 47 C VAL A 74 -10.628 5.568 -0.005 1.00 1.00 C ATOM 48 O VAL A 74 -10.436 6.693 -0.478 1.00 1.00 O ATOM 49 CB VAL A 74 -11.719 5.459 2.269 1.00 1.00 C ATOM 50 CG1 VAL A 74 -11.612 4.903 3.693 1.00 1.00 C ATOM 51 CG2 VAL A 74 -12.251 6.901 2.347 1.00 1.00 C ATOM 0 H VAL A 74 -9.428 7.174 1.656 1.00 1.00 H new ATOM 0 HA VAL A 74 -10.006 4.308 1.627 1.00 1.00 H new ATOM 0 HB VAL A 74 -12.429 4.871 1.687 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -12.569 5.018 4.201 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -11.347 3.846 3.652 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -10.843 5.449 4.240 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -13.188 6.913 2.903 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -11.520 7.531 2.854 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -12.422 7.281 1.340 1.00 1.00 H new ATOM 61 N PRO A 75 -11.068 4.549 -0.775 1.00 1.00 N ATOM 62 CA PRO A 75 -11.422 4.708 -2.188 1.00 1.00 C ATOM 63 C PRO A 75 -12.714 5.519 -2.400 1.00 1.00 C ATOM 64 O PRO A 75 -13.516 5.726 -1.489 1.00 1.00 O ATOM 65 CB PRO A 75 -11.532 3.279 -2.737 1.00 1.00 C ATOM 66 CG PRO A 75 -11.979 2.474 -1.523 1.00 1.00 C ATOM 67 CD PRO A 75 -11.241 3.158 -0.373 1.00 1.00 C ATOM 0 HA PRO A 75 -10.666 5.288 -2.718 1.00 1.00 H new ATOM 0 HB2 PRO A 75 -12.254 3.215 -3.551 1.00 1.00 H new ATOM 0 HB3 PRO A 75 -10.579 2.923 -3.128 1.00 1.00 H new ATOM 0 HG2 PRO A 75 -13.060 2.511 -1.389 1.00 1.00 H new ATOM 0 HG3 PRO A 75 -11.705 1.423 -1.611 1.00 1.00 H new ATOM 0 HD2 PRO A 75 -11.812 3.088 0.553 1.00 1.00 H new ATOM 0 HD3 PRO A 75 -10.277 2.682 -0.190 1.00 1.00 H new ATOM 75 N LYS A 76 -12.912 5.926 -3.660 1.00 1.00 N ATOM 76 CA LYS A 76 -14.089 6.644 -4.191 1.00 1.00 C ATOM 77 C LYS A 76 -14.716 5.922 -5.399 1.00 1.00 C ATOM 78 O LYS A 76 -15.913 6.052 -5.643 1.00 1.00 O ATOM 79 CB LYS A 76 -13.696 8.109 -4.477 1.00 1.00 C ATOM 80 CG LYS A 76 -14.891 8.998 -4.864 1.00 1.00 C ATOM 81 CD LYS A 76 -14.480 10.479 -4.932 1.00 1.00 C ATOM 82 CE LYS A 76 -15.605 11.394 -5.446 1.00 1.00 C ATOM 83 NZ LYS A 76 -16.703 11.573 -4.450 1.00 1.00 N ATOM 0 H LYS A 76 -12.215 5.755 -4.385 1.00 1.00 H new ATOM 0 HA LYS A 76 -14.881 6.651 -3.442 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -13.213 8.527 -3.594 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -12.961 8.130 -5.282 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -15.286 8.682 -5.830 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -15.692 8.873 -4.136 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -14.174 10.811 -3.940 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -13.612 10.580 -5.583 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -15.188 12.369 -5.700 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -16.017 10.975 -6.364 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -17.434 12.197 -4.847 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -17.123 10.648 -4.226 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -16.319 11.998 -3.582 1.00 1.00 H new ATOM 97 N TYR A 77 -13.942 5.089 -6.101 1.00 1.00 N ATOM 98 CA TYR A 77 -14.350 4.367 -7.314 1.00 1.00 C ATOM 99 C TYR A 77 -13.801 2.932 -7.294 1.00 1.00 C ATOM 100 O TYR A 77 -12.697 2.704 -6.792 1.00 1.00 O ATOM 101 CB TYR A 77 -13.808 5.101 -8.554 1.00 1.00 C ATOM 102 CG TYR A 77 -14.059 6.594 -8.629 1.00 1.00 C ATOM 103 CD1 TYR A 77 -13.211 7.473 -7.931 1.00 1.00 C ATOM 104 CD2 TYR A 77 -15.072 7.116 -9.458 1.00 1.00 C ATOM 105 CE1 TYR A 77 -13.389 8.865 -8.032 1.00 1.00 C ATOM 106 CE2 TYR A 77 -15.224 8.511 -9.592 1.00 1.00 C ATOM 107 CZ TYR A 77 -14.394 9.392 -8.866 1.00 1.00 C ATOM 108 OH TYR A 77 -14.549 10.742 -8.968 1.00 1.00 O ATOM 0 H TYR A 77 -12.978 4.890 -5.832 1.00 1.00 H new ATOM 0 HA TYR A 77 -15.439 4.329 -7.350 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -12.732 4.935 -8.604 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -14.243 4.638 -9.440 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -12.418 7.077 -7.314 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -15.732 6.447 -9.991 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -12.753 9.531 -7.468 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -15.980 8.908 -10.254 1.00 1.00 H new ATOM 0 HH TYR A 77 -15.285 10.941 -9.584 1.00 1.00 H new ATOM 118 N ARG A 78 -14.530 1.984 -7.894 1.00 1.00 N ATOM 119 CA ARG A 78 -14.143 0.573 -8.058 1.00 1.00 C ATOM 120 C ARG A 78 -14.651 0.014 -9.394 1.00 1.00 C ATOM 121 O ARG A 78 -15.855 -0.090 -9.607 1.00 1.00 O ATOM 122 CB ARG A 78 -14.683 -0.244 -6.869 1.00 1.00 C ATOM 123 CG ARG A 78 -14.213 -1.710 -6.925 1.00 1.00 C ATOM 124 CD ARG A 78 -14.602 -2.495 -5.665 1.00 1.00 C ATOM 125 NE ARG A 78 -16.067 -2.676 -5.554 1.00 1.00 N ATOM 126 CZ ARG A 78 -16.721 -3.198 -4.528 1.00 1.00 C ATOM 127 NH1 ARG A 78 -16.112 -3.618 -3.456 1.00 1.00 N ATOM 128 NH2 ARG A 78 -18.017 -3.313 -4.564 1.00 1.00 N ATOM 0 H ARG A 78 -15.445 2.185 -8.297 1.00 1.00 H new ATOM 0 HA ARG A 78 -13.056 0.500 -8.073 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -14.351 0.209 -5.935 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -15.772 -0.211 -6.869 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -14.646 -2.195 -7.800 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -13.130 -1.738 -7.048 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -14.116 -3.471 -5.682 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -14.234 -1.971 -4.783 1.00 1.00 H new ATOM 0 HE ARG A 78 -16.629 -2.368 -6.347 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -15.097 -3.550 -3.387 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -16.650 -4.014 -2.686 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -18.534 -3.000 -5.386 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -18.515 -3.716 -3.771 1.00 1.00 H new ATOM 142 N ASP A 79 -13.732 -0.366 -10.276 1.00 1.00 N ATOM 143 CA ASP A 79 -14.017 -0.991 -11.569 1.00 1.00 C ATOM 144 C ASP A 79 -14.697 -2.372 -11.395 1.00 1.00 C ATOM 145 O ASP A 79 -14.091 -3.265 -10.792 1.00 1.00 O ATOM 146 CB ASP A 79 -12.701 -1.176 -12.331 1.00 1.00 C ATOM 147 CG ASP A 79 -12.942 -1.946 -13.636 1.00 1.00 C ATOM 148 OD1 ASP A 79 -13.628 -1.414 -14.541 1.00 1.00 O ATOM 149 OD2 ASP A 79 -12.494 -3.112 -13.716 1.00 1.00 O ATOM 0 H ASP A 79 -12.733 -0.244 -10.107 1.00 1.00 H new ATOM 0 HA ASP A 79 -14.698 -0.343 -12.121 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -12.261 -0.203 -12.551 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -11.986 -1.716 -11.710 1.00 1.00 H new ATOM 154 N PRO A 80 -15.920 -2.603 -11.917 1.00 1.00 N ATOM 155 CA PRO A 80 -16.640 -3.864 -11.717 1.00 1.00 C ATOM 156 C PRO A 80 -16.052 -5.059 -12.494 1.00 1.00 C ATOM 157 O PRO A 80 -16.292 -6.207 -12.113 1.00 1.00 O ATOM 158 CB PRO A 80 -18.083 -3.574 -12.147 1.00 1.00 C ATOM 159 CG PRO A 80 -17.934 -2.453 -13.173 1.00 1.00 C ATOM 160 CD PRO A 80 -16.759 -1.650 -12.626 1.00 1.00 C ATOM 0 HA PRO A 80 -16.562 -4.175 -10.675 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -18.556 -4.455 -12.581 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -18.699 -3.265 -11.302 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -17.729 -2.842 -14.170 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -18.838 -1.849 -13.246 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -16.207 -1.168 -13.432 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -17.103 -0.860 -11.958 1.00 1.00 H new ATOM 168 N ALA A 81 -15.295 -4.821 -13.570 1.00 1.00 N ATOM 169 CA ALA A 81 -14.722 -5.876 -14.410 1.00 1.00 C ATOM 170 C ALA A 81 -13.467 -6.544 -13.804 1.00 1.00 C ATOM 171 O ALA A 81 -13.211 -7.722 -14.072 1.00 1.00 O ATOM 172 CB ALA A 81 -14.419 -5.276 -15.789 1.00 1.00 C ATOM 0 H ALA A 81 -15.061 -3.880 -13.885 1.00 1.00 H new ATOM 0 HA ALA A 81 -15.454 -6.680 -14.489 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -13.991 -6.044 -16.434 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -15.341 -4.902 -16.234 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -13.709 -4.456 -15.681 1.00 1.00 H new ATOM 178 N THR A 82 -12.700 -5.821 -12.979 1.00 1.00 N ATOM 179 CA THR A 82 -11.385 -6.255 -12.456 1.00 1.00 C ATOM 180 C THR A 82 -11.191 -6.068 -10.946 1.00 1.00 C ATOM 181 O THR A 82 -10.284 -6.672 -10.367 1.00 1.00 O ATOM 182 CB THR A 82 -10.233 -5.542 -13.163 1.00 1.00 C ATOM 183 OG1 THR A 82 -10.249 -4.159 -12.917 1.00 1.00 O ATOM 184 CG2 THR A 82 -10.243 -5.805 -14.662 1.00 1.00 C ATOM 0 H THR A 82 -12.976 -4.897 -12.645 1.00 1.00 H new ATOM 0 HA THR A 82 -11.375 -7.326 -12.661 1.00 1.00 H new ATOM 0 HB THR A 82 -9.313 -5.954 -12.749 1.00 1.00 H new ATOM 0 HG1 THR A 82 -10.922 -3.733 -13.488 1.00 1.00 H new ATOM 0 HG21 THR A 82 -9.409 -5.281 -15.129 1.00 1.00 H new ATOM 0 HG22 THR A 82 -10.147 -6.875 -14.844 1.00 1.00 H new ATOM 0 HG23 THR A 82 -11.180 -5.447 -15.088 1.00 1.00 H new ATOM 192 N GLY A 83 -12.012 -5.240 -10.287 1.00 1.00 N ATOM 193 CA GLY A 83 -11.889 -4.916 -8.861 1.00 1.00 C ATOM 194 C GLY A 83 -10.855 -3.823 -8.535 1.00 1.00 C ATOM 195 O GLY A 83 -10.645 -3.529 -7.354 1.00 1.00 O ATOM 0 H GLY A 83 -12.795 -4.768 -10.739 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -12.863 -4.598 -8.490 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.622 -5.823 -8.318 1.00 1.00 H new ATOM 199 N LYS A 84 -10.212 -3.213 -9.546 1.00 1.00 N ATOM 200 CA LYS A 84 -9.307 -2.052 -9.401 1.00 1.00 C ATOM 201 C LYS A 84 -10.032 -0.852 -8.782 1.00 1.00 C ATOM 202 O LYS A 84 -11.226 -0.668 -9.006 1.00 1.00 O ATOM 203 CB LYS A 84 -8.711 -1.682 -10.769 1.00 1.00 C ATOM 204 CG LYS A 84 -7.682 -2.734 -11.200 1.00 1.00 C ATOM 205 CD LYS A 84 -7.101 -2.417 -12.587 1.00 1.00 C ATOM 206 CE LYS A 84 -6.117 -3.519 -13.001 1.00 1.00 C ATOM 207 NZ LYS A 84 -5.518 -3.256 -14.341 1.00 1.00 N ATOM 0 H LYS A 84 -10.308 -3.520 -10.514 1.00 1.00 H new ATOM 0 HA LYS A 84 -8.499 -2.329 -8.724 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -9.505 -1.613 -11.513 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -8.238 -0.701 -10.715 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -6.876 -2.778 -10.468 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -8.151 -3.718 -11.217 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -7.905 -2.340 -13.319 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -6.594 -1.452 -12.568 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -5.324 -3.595 -12.257 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -6.633 -4.479 -13.016 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -4.859 -4.023 -14.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -6.272 -3.209 -15.055 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -5.004 -2.352 -14.320 1.00 1.00 H new ATOM 221 N THR A 85 -9.310 -0.013 -8.040 1.00 1.00 N ATOM 222 CA THR A 85 -9.877 1.125 -7.278 1.00 1.00 C ATOM 223 C THR A 85 -9.113 2.437 -7.477 1.00 1.00 C ATOM 224 O THR A 85 -7.938 2.445 -7.853 1.00 1.00 O ATOM 225 CB THR A 85 -9.940 0.823 -5.767 1.00 1.00 C ATOM 226 OG1 THR A 85 -8.682 0.383 -5.292 1.00 1.00 O ATOM 227 CG2 THR A 85 -10.981 -0.244 -5.428 1.00 1.00 C ATOM 0 H THR A 85 -8.298 -0.097 -7.943 1.00 1.00 H new ATOM 0 HA THR A 85 -10.882 1.253 -7.680 1.00 1.00 H new ATOM 0 HB THR A 85 -10.226 1.756 -5.282 1.00 1.00 H new ATOM 0 HG1 THR A 85 -8.741 0.198 -4.331 1.00 1.00 H new ATOM 0 HG21 THR A 85 -10.985 -0.419 -4.352 1.00 1.00 H new ATOM 0 HG22 THR A 85 -11.967 0.096 -5.744 1.00 1.00 H new ATOM 0 HG23 THR A 85 -10.734 -1.171 -5.946 1.00 1.00 H new ATOM 235 N TRP A 86 -9.793 3.557 -7.196 1.00 1.00 N ATOM 236 CA TRP A 86 -9.222 4.913 -7.179 1.00 1.00 C ATOM 237 C TRP A 86 -9.939 5.778 -6.125 1.00 1.00 C ATOM 238 O TRP A 86 -11.018 5.407 -5.662 1.00 1.00 O ATOM 239 CB TRP A 86 -9.284 5.504 -8.596 1.00 1.00 C ATOM 240 CG TRP A 86 -8.620 6.836 -8.766 1.00 1.00 C ATOM 241 CD1 TRP A 86 -7.320 7.115 -8.512 1.00 1.00 C ATOM 242 CD2 TRP A 86 -9.223 8.103 -9.169 1.00 1.00 C ATOM 243 NE1 TRP A 86 -7.094 8.467 -8.687 1.00 1.00 N ATOM 244 CE2 TRP A 86 -8.234 9.128 -9.079 1.00 1.00 C ATOM 245 CE3 TRP A 86 -10.517 8.497 -9.550 1.00 1.00 C ATOM 246 CZ2 TRP A 86 -8.531 10.478 -9.312 1.00 1.00 C ATOM 247 CZ3 TRP A 86 -10.831 9.850 -9.771 1.00 1.00 C ATOM 248 CH2 TRP A 86 -9.848 10.839 -9.637 1.00 1.00 C ATOM 0 H TRP A 86 -10.787 3.545 -6.967 1.00 1.00 H new ATOM 0 HA TRP A 86 -8.173 4.884 -6.886 1.00 1.00 H new ATOM 0 HB2 TRP A 86 -8.824 4.797 -9.287 1.00 1.00 H new ATOM 0 HB3 TRP A 86 -10.330 5.599 -8.886 1.00 1.00 H new ATOM 0 HD1 TRP A 86 -6.574 6.392 -8.218 1.00 1.00 H new ATOM 0 HE1 TRP A 86 -6.191 8.919 -8.543 1.00 1.00 H new ATOM 0 HE3 TRP A 86 -11.284 7.747 -9.675 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 -7.758 11.229 -9.243 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 -11.838 10.129 -10.046 1.00 1.00 H new ATOM 0 HH2 TRP A 86 -10.103 11.878 -9.784 1.00 1.00 H new ATOM 259 N SER A 87 -9.388 6.936 -5.749 1.00 1.00 N ATOM 260 CA SER A 87 -9.841 7.731 -4.583 1.00 1.00 C ATOM 261 C SER A 87 -10.047 9.240 -4.797 1.00 1.00 C ATOM 262 O SER A 87 -10.242 9.975 -3.826 1.00 1.00 O ATOM 263 CB SER A 87 -8.834 7.497 -3.444 1.00 1.00 C ATOM 264 OG SER A 87 -7.537 7.916 -3.852 1.00 1.00 O ATOM 0 H SER A 87 -8.605 7.360 -6.246 1.00 1.00 H new ATOM 0 HA SER A 87 -10.846 7.375 -4.357 1.00 1.00 H new ATOM 0 HB2 SER A 87 -9.141 8.049 -2.556 1.00 1.00 H new ATOM 0 HB3 SER A 87 -8.816 6.441 -3.173 1.00 1.00 H new ATOM 0 HG SER A 87 -6.900 7.766 -3.122 1.00 1.00 H new ATOM 270 N GLY A 88 -10.051 9.727 -6.043 1.00 1.00 N ATOM 271 CA GLY A 88 -10.374 11.134 -6.341 1.00 1.00 C ATOM 272 C GLY A 88 -9.176 12.097 -6.342 1.00 1.00 C ATOM 273 O GLY A 88 -9.383 13.312 -6.406 1.00 1.00 O ATOM 0 H GLY A 88 -9.834 9.167 -6.867 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.857 11.180 -7.317 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -11.101 11.486 -5.609 1.00 1.00 H new ATOM 277 N ARG A 89 -7.939 11.581 -6.253 1.00 1.00 N ATOM 278 CA ARG A 89 -6.683 12.360 -6.222 1.00 1.00 C ATOM 279 C ARG A 89 -5.584 11.758 -7.109 1.00 1.00 C ATOM 280 O ARG A 89 -5.577 10.554 -7.375 1.00 1.00 O ATOM 281 CB ARG A 89 -6.226 12.548 -4.761 1.00 1.00 C ATOM 282 CG ARG A 89 -5.878 11.234 -4.033 1.00 1.00 C ATOM 283 CD ARG A 89 -5.474 11.471 -2.572 1.00 1.00 C ATOM 284 NE ARG A 89 -6.615 11.925 -1.750 1.00 1.00 N ATOM 285 CZ ARG A 89 -6.561 12.443 -0.534 1.00 1.00 C ATOM 286 NH1 ARG A 89 -5.437 12.607 0.106 1.00 1.00 N ATOM 287 NH2 ARG A 89 -7.657 12.804 0.072 1.00 1.00 N ATOM 0 H ARG A 89 -7.777 10.575 -6.199 1.00 1.00 H new ATOM 0 HA ARG A 89 -6.883 13.342 -6.651 1.00 1.00 H new ATOM 0 HB2 ARG A 89 -5.353 13.200 -4.746 1.00 1.00 H new ATOM 0 HB3 ARG A 89 -7.015 13.058 -4.208 1.00 1.00 H new ATOM 0 HG2 ARG A 89 -6.737 10.563 -4.067 1.00 1.00 H new ATOM 0 HG3 ARG A 89 -5.063 10.735 -4.557 1.00 1.00 H new ATOM 0 HD2 ARG A 89 -5.069 10.549 -2.153 1.00 1.00 H new ATOM 0 HD3 ARG A 89 -4.679 12.215 -2.532 1.00 1.00 H new ATOM 0 HE ARG A 89 -7.542 11.829 -2.164 1.00 1.00 H new ATOM 0 HH11 ARG A 89 -4.557 12.332 -0.330 1.00 1.00 H new ATOM 0 HH12 ARG A 89 -5.438 13.010 1.043 1.00 1.00 H new ATOM 0 HH21 ARG A 89 -8.558 12.687 -0.391 1.00 1.00 H new ATOM 0 HH22 ARG A 89 -7.614 13.203 1.010 1.00 1.00 H new ATOM 301 N GLY A 90 -4.651 12.600 -7.559 1.00 1.00 N ATOM 302 CA GLY A 90 -3.658 12.240 -8.584 1.00 1.00 C ATOM 303 C GLY A 90 -4.274 11.982 -9.972 1.00 1.00 C ATOM 304 O GLY A 90 -5.463 12.223 -10.201 1.00 1.00 O ATOM 0 H GLY A 90 -4.559 13.559 -7.222 1.00 1.00 H new ATOM 0 HA2 GLY A 90 -2.924 13.041 -8.664 1.00 1.00 H new ATOM 0 HA3 GLY A 90 -3.122 11.347 -8.262 1.00 1.00 H new ATOM 308 N ARG A 91 -3.457 11.498 -10.919 1.00 1.00 N ATOM 309 CA ARG A 91 -3.903 11.111 -12.274 1.00 1.00 C ATOM 310 C ARG A 91 -4.883 9.927 -12.219 1.00 1.00 C ATOM 311 O ARG A 91 -4.553 8.873 -11.670 1.00 1.00 O ATOM 312 CB ARG A 91 -2.668 10.817 -13.135 1.00 1.00 C ATOM 313 CG ARG A 91 -3.011 10.467 -14.592 1.00 1.00 C ATOM 314 CD ARG A 91 -1.738 10.323 -15.432 1.00 1.00 C ATOM 315 NE ARG A 91 -2.058 10.017 -16.842 1.00 1.00 N ATOM 316 CZ ARG A 91 -2.185 8.824 -17.402 1.00 1.00 C ATOM 317 NH1 ARG A 91 -2.050 7.714 -16.728 1.00 1.00 N ATOM 318 NH2 ARG A 91 -2.448 8.725 -18.673 1.00 1.00 N ATOM 0 H ARG A 91 -2.457 11.361 -10.769 1.00 1.00 H new ATOM 0 HA ARG A 91 -4.454 11.932 -12.733 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -2.010 11.686 -13.123 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -2.113 9.991 -12.691 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -3.579 9.538 -14.623 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -3.647 11.244 -15.017 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -1.159 11.245 -15.380 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -1.114 9.531 -15.018 1.00 1.00 H new ATOM 0 HE ARG A 91 -2.197 10.819 -17.456 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -1.839 7.745 -15.731 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -2.156 6.815 -17.199 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -2.556 9.567 -19.238 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -2.546 7.805 -19.103 1.00 1.00 H new ATOM 332 N GLN A 92 -6.076 10.096 -12.798 1.00 1.00 N ATOM 333 CA GLN A 92 -7.087 9.029 -12.896 1.00 1.00 C ATOM 334 C GLN A 92 -6.599 7.801 -13.705 1.00 1.00 C ATOM 335 O GLN A 92 -5.819 7.966 -14.653 1.00 1.00 O ATOM 336 CB GLN A 92 -8.398 9.585 -13.487 1.00 1.00 C ATOM 337 CG GLN A 92 -8.281 10.233 -14.879 1.00 1.00 C ATOM 338 CD GLN A 92 -9.654 10.580 -15.459 1.00 1.00 C ATOM 339 OE1 GLN A 92 -10.189 9.895 -16.321 1.00 1.00 O ATOM 340 NE2 GLN A 92 -10.281 11.655 -15.025 1.00 1.00 N ATOM 0 H GLN A 92 -6.372 10.979 -13.215 1.00 1.00 H new ATOM 0 HA GLN A 92 -7.270 8.675 -11.881 1.00 1.00 H new ATOM 0 HB2 GLN A 92 -9.122 8.773 -13.544 1.00 1.00 H new ATOM 0 HB3 GLN A 92 -8.802 10.324 -12.795 1.00 1.00 H new ATOM 0 HG2 GLN A 92 -7.676 11.137 -14.810 1.00 1.00 H new ATOM 0 HG3 GLN A 92 -7.762 9.553 -15.554 1.00 1.00 H new ATOM 0 HE21 GLN A 92 -9.853 12.240 -14.307 1.00 1.00 H new ATOM 0 HE22 GLN A 92 -11.194 11.902 -15.407 1.00 1.00 H new ATOM 349 N PRO A 93 -7.070 6.576 -13.394 1.00 1.00 N ATOM 350 CA PRO A 93 -6.775 5.379 -14.185 1.00 1.00 C ATOM 351 C PRO A 93 -7.588 5.334 -15.491 1.00 1.00 C ATOM 352 O PRO A 93 -8.629 5.980 -15.616 1.00 1.00 O ATOM 353 CB PRO A 93 -7.129 4.211 -13.262 1.00 1.00 C ATOM 354 CG PRO A 93 -8.287 4.761 -12.431 1.00 1.00 C ATOM 355 CD PRO A 93 -7.913 6.231 -12.253 1.00 1.00 C ATOM 0 HA PRO A 93 -5.733 5.352 -14.504 1.00 1.00 H new ATOM 0 HB2 PRO A 93 -7.423 3.326 -13.827 1.00 1.00 H new ATOM 0 HB3 PRO A 93 -6.285 3.923 -12.635 1.00 1.00 H new ATOM 0 HG2 PRO A 93 -9.242 4.647 -12.944 1.00 1.00 H new ATOM 0 HG3 PRO A 93 -8.376 4.248 -11.473 1.00 1.00 H new ATOM 0 HD2 PRO A 93 -8.804 6.859 -12.223 1.00 1.00 H new ATOM 0 HD3 PRO A 93 -7.381 6.387 -11.314 1.00 1.00 H new ATOM 363 N ALA A 94 -7.141 4.529 -16.466 1.00 1.00 N ATOM 364 CA ALA A 94 -7.730 4.472 -17.811 1.00 1.00 C ATOM 365 C ALA A 94 -9.225 4.081 -17.829 1.00 1.00 C ATOM 366 O ALA A 94 -10.003 4.648 -18.598 1.00 1.00 O ATOM 367 CB ALA A 94 -6.894 3.507 -18.662 1.00 1.00 C ATOM 0 H ALA A 94 -6.353 3.893 -16.341 1.00 1.00 H new ATOM 0 HA ALA A 94 -7.704 5.479 -18.228 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.314 3.450 -19.666 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -5.867 3.868 -18.719 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.906 2.517 -18.207 1.00 1.00 H new ATOM 373 N TRP A 95 -9.649 3.155 -16.954 1.00 1.00 N ATOM 374 CA TRP A 95 -11.056 2.724 -16.844 1.00 1.00 C ATOM 375 C TRP A 95 -12.015 3.836 -16.386 1.00 1.00 C ATOM 376 O TRP A 95 -13.212 3.759 -16.665 1.00 1.00 O ATOM 377 CB TRP A 95 -11.175 1.499 -15.925 1.00 1.00 C ATOM 378 CG TRP A 95 -10.552 1.599 -14.570 1.00 1.00 C ATOM 379 CD1 TRP A 95 -9.303 1.185 -14.260 1.00 1.00 C ATOM 380 CD2 TRP A 95 -11.154 2.051 -13.314 1.00 1.00 C ATOM 381 NE1 TRP A 95 -9.071 1.374 -12.914 1.00 1.00 N ATOM 382 CE2 TRP A 95 -10.180 1.887 -12.281 1.00 1.00 C ATOM 383 CE3 TRP A 95 -12.431 2.526 -12.924 1.00 1.00 C ATOM 384 CZ2 TRP A 95 -10.441 2.201 -10.944 1.00 1.00 C ATOM 385 CZ3 TRP A 95 -12.703 2.832 -11.578 1.00 1.00 C ATOM 386 CH2 TRP A 95 -11.713 2.676 -10.594 1.00 1.00 C ATOM 0 H TRP A 95 -9.026 2.682 -16.300 1.00 1.00 H new ATOM 0 HA TRP A 95 -11.367 2.457 -17.854 1.00 1.00 H new ATOM 0 HB2 TRP A 95 -12.234 1.276 -15.794 1.00 1.00 H new ATOM 0 HB3 TRP A 95 -10.731 0.647 -16.439 1.00 1.00 H new ATOM 0 HD1 TRP A 95 -8.594 0.769 -14.961 1.00 1.00 H new ATOM 0 HE1 TRP A 95 -8.190 1.161 -12.447 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -13.203 2.654 -13.668 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -9.675 2.080 -10.192 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -13.683 3.190 -11.299 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -11.932 2.922 -9.566 1.00 1.00 H new ATOM 397 N LEU A 96 -11.505 4.893 -15.739 1.00 1.00 N ATOM 398 CA LEU A 96 -12.316 6.041 -15.325 1.00 1.00 C ATOM 399 C LEU A 96 -12.822 6.898 -16.510 1.00 1.00 C ATOM 400 O LEU A 96 -13.789 7.651 -16.372 1.00 1.00 O ATOM 401 CB LEU A 96 -11.508 6.921 -14.353 1.00 1.00 C ATOM 402 CG LEU A 96 -12.426 7.532 -13.281 1.00 1.00 C ATOM 403 CD1 LEU A 96 -12.514 6.589 -12.080 1.00 1.00 C ATOM 404 CD2 LEU A 96 -11.921 8.883 -12.793 1.00 1.00 C ATOM 0 H LEU A 96 -10.519 4.974 -15.489 1.00 1.00 H new ATOM 0 HA LEU A 96 -13.201 5.638 -14.833 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -10.730 6.325 -13.876 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.007 7.716 -14.905 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.404 7.674 -13.740 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -13.165 7.025 -11.322 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -12.921 5.630 -12.400 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -11.519 6.440 -11.661 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -12.602 9.275 -12.037 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -10.927 8.765 -12.360 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -11.872 9.578 -13.632 1.00 1.00 H new ATOM 416 N GLY A 97 -12.181 6.787 -17.679 1.00 1.00 N ATOM 417 CA GLY A 97 -12.373 7.660 -18.844 1.00 1.00 C ATOM 418 C GLY A 97 -13.577 7.314 -19.734 1.00 1.00 C ATOM 419 O GLY A 97 -13.430 7.258 -20.958 1.00 1.00 O ATOM 0 H GLY A 97 -11.487 6.058 -17.847 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -12.484 8.686 -18.494 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -11.470 7.628 -19.454 1.00 1.00 H new ATOM 423 N ASN A 98 -14.752 7.061 -19.143 1.00 1.00 N ATOM 424 CA ASN A 98 -15.986 6.756 -19.886 1.00 1.00 C ATOM 425 C ASN A 98 -17.257 7.322 -19.217 1.00 1.00 C ATOM 426 O ASN A 98 -17.884 8.228 -19.769 1.00 1.00 O ATOM 427 CB ASN A 98 -16.065 5.227 -20.094 1.00 1.00 C ATOM 428 CG ASN A 98 -17.300 4.804 -20.884 1.00 1.00 C ATOM 429 OD1 ASN A 98 -17.727 5.456 -21.827 1.00 1.00 O ATOM 430 ND2 ASN A 98 -17.918 3.699 -20.526 1.00 1.00 N ATOM 0 H ASN A 98 -14.876 7.062 -18.131 1.00 1.00 H new ATOM 0 HA ASN A 98 -15.942 7.257 -20.853 1.00 1.00 H new ATOM 0 HB2 ASN A 98 -15.171 4.889 -20.617 1.00 1.00 H new ATOM 0 HB3 ASN A 98 -16.073 4.732 -19.123 1.00 1.00 H new ATOM 0 HD21 ASN A 98 -18.747 3.391 -21.034 1.00 1.00 H new ATOM 0 HD22 ASN A 98 -17.568 3.150 -19.741 1.00 1.00 H new ATOM 437 N ASP A 99 -17.636 6.811 -18.038 1.00 1.00 N ATOM 438 CA ASP A 99 -18.891 7.164 -17.351 1.00 1.00 C ATOM 439 C ASP A 99 -18.792 6.925 -15.828 1.00 1.00 C ATOM 440 O ASP A 99 -19.119 5.828 -15.366 1.00 1.00 O ATOM 441 CB ASP A 99 -20.058 6.367 -17.966 1.00 1.00 C ATOM 442 CG ASP A 99 -21.410 6.671 -17.292 1.00 1.00 C ATOM 443 OD1 ASP A 99 -21.600 7.789 -16.751 1.00 1.00 O ATOM 444 OD2 ASP A 99 -22.313 5.800 -17.343 1.00 1.00 O ATOM 0 H ASP A 99 -17.074 6.131 -17.526 1.00 1.00 H new ATOM 0 HA ASP A 99 -19.076 8.229 -17.492 1.00 1.00 H new ATOM 0 HB2 ASP A 99 -20.128 6.596 -19.029 1.00 1.00 H new ATOM 0 HB3 ASP A 99 -19.847 5.301 -17.883 1.00 1.00 H new ATOM 449 N PRO A 100 -18.312 7.911 -15.038 1.00 1.00 N ATOM 450 CA PRO A 100 -18.076 7.796 -13.596 1.00 1.00 C ATOM 451 C PRO A 100 -19.143 7.063 -12.772 1.00 1.00 C ATOM 452 O PRO A 100 -18.811 6.280 -11.882 1.00 1.00 O ATOM 453 CB PRO A 100 -17.838 9.218 -13.104 1.00 1.00 C ATOM 454 CG PRO A 100 -17.165 9.878 -14.305 1.00 1.00 C ATOM 455 CD PRO A 100 -17.855 9.220 -15.499 1.00 1.00 C ATOM 0 HA PRO A 100 -17.218 7.141 -13.444 1.00 1.00 H new ATOM 0 HB2 PRO A 100 -18.770 9.716 -12.837 1.00 1.00 H new ATOM 0 HB3 PRO A 100 -17.201 9.240 -12.220 1.00 1.00 H new ATOM 0 HG2 PRO A 100 -17.308 10.959 -14.303 1.00 1.00 H new ATOM 0 HG3 PRO A 100 -16.090 9.699 -14.313 1.00 1.00 H new ATOM 0 HD2 PRO A 100 -18.693 9.825 -15.845 1.00 1.00 H new ATOM 0 HD3 PRO A 100 -17.167 9.118 -16.338 1.00 1.00 H new ATOM 463 N ALA A 101 -20.428 7.273 -13.070 1.00 1.00 N ATOM 464 CA ALA A 101 -21.528 6.654 -12.335 1.00 1.00 C ATOM 465 C ALA A 101 -21.577 5.112 -12.424 1.00 1.00 C ATOM 466 O ALA A 101 -22.146 4.473 -11.536 1.00 1.00 O ATOM 467 CB ALA A 101 -22.840 7.283 -12.809 1.00 1.00 C ATOM 0 H ALA A 101 -20.733 7.880 -13.831 1.00 1.00 H new ATOM 0 HA ALA A 101 -21.363 6.852 -11.276 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -23.674 6.833 -12.271 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -22.820 8.356 -12.616 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -22.962 7.109 -13.878 1.00 1.00 H new ATOM 473 N ALA A 102 -20.959 4.501 -13.443 1.00 1.00 N ATOM 474 CA ALA A 102 -20.894 3.046 -13.607 1.00 1.00 C ATOM 475 C ALA A 102 -19.997 2.338 -12.566 1.00 1.00 C ATOM 476 O ALA A 102 -20.180 1.145 -12.309 1.00 1.00 O ATOM 477 CB ALA A 102 -20.411 2.747 -15.033 1.00 1.00 C ATOM 0 H ALA A 102 -20.484 5.012 -14.187 1.00 1.00 H new ATOM 0 HA ALA A 102 -21.894 2.646 -13.438 1.00 1.00 H new ATOM 0 HB1 ALA A 102 -20.354 1.668 -15.179 1.00 1.00 H new ATOM 0 HB2 ALA A 102 -21.111 3.174 -15.751 1.00 1.00 H new ATOM 0 HB3 ALA A 102 -19.424 3.186 -15.182 1.00 1.00 H new ATOM 483 N PHE A 103 -19.039 3.057 -11.965 1.00 1.00 N ATOM 484 CA PHE A 103 -18.027 2.506 -11.045 1.00 1.00 C ATOM 485 C PHE A 103 -17.771 3.362 -9.787 1.00 1.00 C ATOM 486 O PHE A 103 -16.953 2.985 -8.947 1.00 1.00 O ATOM 487 CB PHE A 103 -16.747 2.182 -11.842 1.00 1.00 C ATOM 488 CG PHE A 103 -16.349 3.237 -12.848 1.00 1.00 C ATOM 489 CD1 PHE A 103 -15.837 4.462 -12.399 1.00 1.00 C ATOM 490 CD2 PHE A 103 -16.562 3.021 -14.222 1.00 1.00 C ATOM 491 CE1 PHE A 103 -15.555 5.478 -13.320 1.00 1.00 C ATOM 492 CE2 PHE A 103 -16.288 4.044 -15.145 1.00 1.00 C ATOM 493 CZ PHE A 103 -15.788 5.276 -14.693 1.00 1.00 C ATOM 0 H PHE A 103 -18.942 4.062 -12.107 1.00 1.00 H new ATOM 0 HA PHE A 103 -18.425 1.582 -10.626 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -15.925 2.038 -11.141 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -16.890 1.236 -12.364 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -15.661 4.622 -11.346 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -16.936 2.069 -14.567 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -15.157 6.421 -12.975 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -16.461 3.883 -16.199 1.00 1.00 H new ATOM 0 HZ PHE A 103 -15.583 6.068 -15.398 1.00 1.00 H new ATOM 503 N LEU A 104 -18.439 4.508 -9.619 1.00 1.00 N ATOM 504 CA LEU A 104 -18.438 5.267 -8.359 1.00 1.00 C ATOM 505 C LEU A 104 -18.955 4.389 -7.207 1.00 1.00 C ATOM 506 O LEU A 104 -19.962 3.696 -7.364 1.00 1.00 O ATOM 507 CB LEU A 104 -19.337 6.514 -8.494 1.00 1.00 C ATOM 508 CG LEU A 104 -18.564 7.801 -8.815 1.00 1.00 C ATOM 509 CD1 LEU A 104 -19.526 8.907 -9.248 1.00 1.00 C ATOM 510 CD2 LEU A 104 -17.779 8.309 -7.598 1.00 1.00 C ATOM 0 H LEU A 104 -18.999 4.939 -10.355 1.00 1.00 H new ATOM 0 HA LEU A 104 -17.416 5.577 -8.142 1.00 1.00 H new ATOM 0 HB2 LEU A 104 -20.073 6.337 -9.279 1.00 1.00 H new ATOM 0 HB3 LEU A 104 -19.890 6.655 -7.565 1.00 1.00 H new ATOM 0 HG LEU A 104 -17.869 7.559 -9.619 1.00 1.00 H new ATOM 0 HD11 LEU A 104 -18.962 9.813 -9.472 1.00 1.00 H new ATOM 0 HD12 LEU A 104 -20.070 8.589 -10.138 1.00 1.00 H new ATOM 0 HD13 LEU A 104 -20.233 9.110 -8.444 1.00 1.00 H new ATOM 0 HD21 LEU A 104 -17.245 9.221 -7.864 1.00 1.00 H new ATOM 0 HD22 LEU A 104 -18.470 8.518 -6.781 1.00 1.00 H new ATOM 0 HD23 LEU A 104 -17.064 7.549 -7.283 1.00 1.00 H new ATOM 522 N ILE A 105 -18.309 4.452 -6.042 1.00 1.00 N ATOM 523 CA ILE A 105 -18.831 3.837 -4.811 1.00 1.00 C ATOM 524 C ILE A 105 -20.070 4.644 -4.386 1.00 1.00 C ATOM 525 O ILE A 105 -19.982 5.855 -4.164 1.00 1.00 O ATOM 526 CB ILE A 105 -17.735 3.746 -3.724 1.00 1.00 C ATOM 527 CG1 ILE A 105 -16.597 2.815 -4.207 1.00 1.00 C ATOM 528 CG2 ILE A 105 -18.325 3.229 -2.398 1.00 1.00 C ATOM 529 CD1 ILE A 105 -15.365 2.885 -3.304 1.00 1.00 C ATOM 0 H ILE A 105 -17.414 4.927 -5.920 1.00 1.00 H new ATOM 0 HA ILE A 105 -19.133 2.803 -4.978 1.00 1.00 H new ATOM 0 HB ILE A 105 -17.330 4.743 -3.549 1.00 1.00 H new ATOM 0 HG12 ILE A 105 -16.961 1.788 -4.242 1.00 1.00 H new ATOM 0 HG13 ILE A 105 -16.315 3.088 -5.224 1.00 1.00 H new ATOM 0 HG21 ILE A 105 -17.537 3.172 -1.647 1.00 1.00 H new ATOM 0 HG22 ILE A 105 -19.104 3.910 -2.056 1.00 1.00 H new ATOM 0 HG23 ILE A 105 -18.752 2.238 -2.552 1.00 1.00 H new ATOM 0 HD11 ILE A 105 -14.596 2.214 -3.686 1.00 1.00 H new ATOM 0 HD12 ILE A 105 -14.982 3.905 -3.290 1.00 1.00 H new ATOM 0 HD13 ILE A 105 -15.638 2.586 -2.292 1.00 1.00 H new ATOM 541 N GLN A 106 -21.230 3.984 -4.325 1.00 1.00 N ATOM 542 CA GLN A 106 -22.550 4.617 -4.166 1.00 1.00 C ATOM 543 C GLN A 106 -23.505 3.810 -3.262 1.00 1.00 C ATOM 544 O GLN A 106 -23.375 2.585 -3.193 1.00 1.00 O ATOM 545 CB GLN A 106 -23.150 4.840 -5.574 1.00 1.00 C ATOM 546 CG GLN A 106 -23.331 3.568 -6.424 1.00 1.00 C ATOM 547 CD GLN A 106 -23.536 3.901 -7.901 1.00 1.00 C ATOM 548 OE1 GLN A 106 -24.640 4.145 -8.370 1.00 1.00 O ATOM 549 NE2 GLN A 106 -22.481 3.923 -8.688 1.00 1.00 N ATOM 0 H GLN A 106 -21.282 2.967 -4.386 1.00 1.00 H new ATOM 0 HA GLN A 106 -22.420 5.571 -3.656 1.00 1.00 H new ATOM 0 HB2 GLN A 106 -24.120 5.324 -5.464 1.00 1.00 H new ATOM 0 HB3 GLN A 106 -22.508 5.532 -6.119 1.00 1.00 H new ATOM 0 HG2 GLN A 106 -22.455 2.928 -6.313 1.00 1.00 H new ATOM 0 HG3 GLN A 106 -24.187 3.003 -6.056 1.00 1.00 H new ATOM 0 HE21 GLN A 106 -21.556 3.721 -8.307 1.00 1.00 H new ATOM 0 HE22 GLN A 106 -22.588 4.142 -9.678 1.00 1.00 H new ATOM 558 N PRO A 107 -24.500 4.453 -2.610 1.00 1.00 N ATOM 559 CA PRO A 107 -25.466 3.812 -1.706 1.00 1.00 C ATOM 560 C PRO A 107 -26.593 3.045 -2.441 1.00 1.00 C ATOM 561 O PRO A 107 -27.772 3.146 -2.098 1.00 1.00 O ATOM 562 CB PRO A 107 -25.969 4.953 -0.812 1.00 1.00 C ATOM 563 CG PRO A 107 -25.975 6.143 -1.763 1.00 1.00 C ATOM 564 CD PRO A 107 -24.712 5.902 -2.590 1.00 1.00 C ATOM 0 HA PRO A 107 -25.004 3.019 -1.118 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -26.963 4.748 -0.413 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -25.311 5.119 0.041 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -26.871 6.163 -2.384 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -25.936 7.092 -1.228 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -24.830 6.291 -3.601 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -23.856 6.414 -2.150 1.00 1.00 H new ATOM 572 N ASP A 108 -26.245 2.260 -3.468 1.00 1.00 N ATOM 573 CA ASP A 108 -27.142 1.305 -4.138 1.00 1.00 C ATOM 574 C ASP A 108 -27.799 0.292 -3.167 1.00 1.00 C ATOM 575 O ASP A 108 -28.891 -0.218 -3.424 1.00 1.00 O ATOM 576 CB ASP A 108 -26.387 0.589 -5.266 1.00 1.00 C ATOM 577 CG ASP A 108 -27.333 -0.225 -6.167 1.00 1.00 C ATOM 578 OD1 ASP A 108 -28.218 0.379 -6.819 1.00 1.00 O ATOM 579 OD2 ASP A 108 -27.169 -1.465 -6.264 1.00 1.00 O ATOM 0 H ASP A 108 -25.307 2.270 -3.868 1.00 1.00 H new ATOM 0 HA ASP A 108 -27.967 1.879 -4.560 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -25.855 1.324 -5.870 1.00 1.00 H new ATOM 0 HB3 ASP A 108 -25.636 -0.074 -4.836 1.00 1.00 H new ATOM 584 N LEU A 109 -27.139 0.058 -2.026 1.00 1.00 N ATOM 585 CA LEU A 109 -27.605 -0.665 -0.847 1.00 1.00 C ATOM 586 C LEU A 109 -27.531 0.291 0.368 1.00 1.00 C ATOM 587 O LEU A 109 -26.621 1.130 0.425 1.00 1.00 O ATOM 588 CB LEU A 109 -26.746 -1.926 -0.588 1.00 1.00 C ATOM 589 CG LEU A 109 -26.915 -3.152 -1.511 1.00 1.00 C ATOM 590 CD1 LEU A 109 -28.374 -3.589 -1.651 1.00 1.00 C ATOM 591 CD2 LEU A 109 -26.313 -2.965 -2.904 1.00 1.00 C ATOM 0 H LEU A 109 -26.187 0.400 -1.898 1.00 1.00 H new ATOM 0 HA LEU A 109 -28.631 -0.997 -1.008 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -25.699 -1.625 -0.630 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -26.943 -2.254 0.433 1.00 1.00 H new ATOM 0 HG LEU A 109 -26.353 -3.938 -1.007 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -28.433 -4.455 -2.311 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -28.771 -3.853 -0.670 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -28.960 -2.772 -2.072 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -26.472 -3.868 -3.493 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -26.794 -2.121 -3.398 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -25.244 -2.773 -2.815 1.00 1.00 H new ATOM 603 N PRO A 110 -28.459 0.194 1.341 1.00 1.00 N ATOM 604 CA PRO A 110 -28.550 1.148 2.448 1.00 1.00 C ATOM 605 C PRO A 110 -27.363 1.070 3.425 1.00 1.00 C ATOM 606 O PRO A 110 -26.782 0.006 3.658 1.00 1.00 O ATOM 607 CB PRO A 110 -29.877 0.841 3.152 1.00 1.00 C ATOM 608 CG PRO A 110 -30.130 -0.630 2.823 1.00 1.00 C ATOM 609 CD PRO A 110 -29.539 -0.779 1.421 1.00 1.00 C ATOM 0 HA PRO A 110 -28.514 2.168 2.066 1.00 1.00 H new ATOM 0 HB2 PRO A 110 -29.807 1.004 4.227 1.00 1.00 H new ATOM 0 HB3 PRO A 110 -30.682 1.478 2.785 1.00 1.00 H new ATOM 0 HG2 PRO A 110 -29.643 -1.293 3.538 1.00 1.00 H new ATOM 0 HG3 PRO A 110 -31.193 -0.870 2.840 1.00 1.00 H new ATOM 0 HD2 PRO A 110 -29.167 -1.791 1.259 1.00 1.00 H new ATOM 0 HD3 PRO A 110 -30.293 -0.590 0.657 1.00 1.00 H new ATOM 617 N ALA A 111 -27.069 2.212 4.056 1.00 1.00 N ATOM 618 CA ALA A 111 -26.065 2.368 5.118 1.00 1.00 C ATOM 619 C ALA A 111 -26.581 3.267 6.261 1.00 1.00 C ATOM 620 O ALA A 111 -25.843 4.062 6.853 1.00 1.00 O ATOM 621 CB ALA A 111 -24.755 2.853 4.474 1.00 1.00 C ATOM 0 H ALA A 111 -27.542 3.088 3.833 1.00 1.00 H new ATOM 0 HA ALA A 111 -25.865 1.412 5.602 1.00 1.00 H new ATOM 0 HB1 ALA A 111 -23.994 2.976 5.245 1.00 1.00 H new ATOM 0 HB2 ALA A 111 -24.416 2.119 3.743 1.00 1.00 H new ATOM 0 HB3 ALA A 111 -24.926 3.808 3.977 1.00 1.00 H new ATOM 627 N ILE A 112 -27.883 3.142 6.543 1.00 1.00 N ATOM 628 CA ILE A 112 -28.672 3.982 7.470 1.00 1.00 C ATOM 629 C ILE A 112 -29.597 3.123 8.345 1.00 1.00 C ATOM 630 O ILE A 112 -30.819 3.271 8.380 1.00 1.00 O ATOM 631 CB ILE A 112 -29.396 5.134 6.725 1.00 1.00 C ATOM 632 CG1 ILE A 112 -30.214 4.638 5.511 1.00 1.00 C ATOM 633 CG2 ILE A 112 -28.382 6.194 6.269 1.00 1.00 C ATOM 634 CD1 ILE A 112 -31.203 5.679 4.966 1.00 1.00 C ATOM 0 H ILE A 112 -28.451 2.414 6.110 1.00 1.00 H new ATOM 0 HA ILE A 112 -27.986 4.475 8.159 1.00 1.00 H new ATOM 0 HB ILE A 112 -30.099 5.573 7.433 1.00 1.00 H new ATOM 0 HG12 ILE A 112 -29.528 4.350 4.715 1.00 1.00 H new ATOM 0 HG13 ILE A 112 -30.764 3.742 5.797 1.00 1.00 H new ATOM 0 HG21 ILE A 112 -28.904 6.996 5.748 1.00 1.00 H new ATOM 0 HG22 ILE A 112 -27.866 6.602 7.138 1.00 1.00 H new ATOM 0 HG23 ILE A 112 -27.655 5.737 5.597 1.00 1.00 H new ATOM 0 HD11 ILE A 112 -31.741 5.260 4.116 1.00 1.00 H new ATOM 0 HD12 ILE A 112 -31.914 5.950 5.747 1.00 1.00 H new ATOM 0 HD13 ILE A 112 -30.658 6.568 4.648 1.00 1.00 H new ATOM 646 N LEU A 113 -28.954 2.181 9.033 1.00 1.00 N ATOM 647 CA LEU A 113 -29.569 1.126 9.845 1.00 1.00 C ATOM 648 C LEU A 113 -28.695 0.848 11.083 1.00 1.00 C ATOM 649 O LEU A 113 -27.497 0.577 10.954 1.00 1.00 O ATOM 650 CB LEU A 113 -29.739 -0.108 8.931 1.00 1.00 C ATOM 651 CG LEU A 113 -30.518 -1.327 9.472 1.00 1.00 C ATOM 652 CD1 LEU A 113 -29.740 -2.167 10.485 1.00 1.00 C ATOM 653 CD2 LEU A 113 -31.871 -0.946 10.076 1.00 1.00 C ATOM 0 H LEU A 113 -27.935 2.128 9.041 1.00 1.00 H new ATOM 0 HA LEU A 113 -30.548 1.416 10.227 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -30.234 0.222 8.018 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -28.743 -0.450 8.648 1.00 1.00 H new ATOM 0 HG LEU A 113 -30.680 -1.940 8.585 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -30.357 -3.003 10.815 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -28.831 -2.549 10.020 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -29.476 -1.549 11.343 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -32.373 -1.843 10.439 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -31.718 -0.255 10.905 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -32.488 -0.468 9.315 1.00 1.00 H new ATOM 665 N GLU A 114 -29.299 0.923 12.276 1.00 1.00 N ATOM 666 CA GLU A 114 -28.652 0.752 13.595 1.00 1.00 C ATOM 667 C GLU A 114 -29.528 -0.038 14.589 1.00 1.00 C ATOM 668 O GLU A 114 -30.741 0.264 14.714 1.00 1.00 O ATOM 669 CB GLU A 114 -28.272 2.107 14.208 1.00 1.00 C ATOM 670 CG GLU A 114 -27.274 2.933 13.381 1.00 1.00 C ATOM 671 CD GLU A 114 -26.852 4.213 14.136 1.00 1.00 C ATOM 672 OE1 GLU A 114 -27.513 5.272 13.985 1.00 1.00 O ATOM 673 OE2 GLU A 114 -25.841 4.182 14.884 1.00 1.00 O ATOM 0 H GLU A 114 -30.298 1.113 12.358 1.00 1.00 H new ATOM 0 HA GLU A 114 -27.747 0.172 13.414 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -29.180 2.694 14.347 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -27.848 1.936 15.197 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -26.393 2.330 13.160 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -27.724 3.202 12.425 1.00 1.00 H new TER 680 GLU A 114