USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.165 K(o=-0.16,f=-0.85) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -66:sc= 1.23 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0649 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.57) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 4.248 -8.425 16.448 1.00 0.00 N ATOM 2 CA ALA A 2 3.865 -9.033 17.749 1.00 0.00 C ATOM 3 C ALA A 2 2.365 -8.910 17.989 1.00 0.00 C ATOM 4 O ALA A 2 1.819 -7.807 18.021 1.00 0.00 O ATOM 5 CB ALA A 2 4.636 -8.377 18.885 1.00 0.00 C ATOM 0 HA ALA A 2 4.118 -10.093 17.716 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.346 -8.832 19.832 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.705 -8.517 18.728 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.410 -7.311 18.910 1.00 0.00 H new ATOM 13 N SER A 3 1.703 -10.049 18.156 1.00 0.00 N ATOM 14 CA SER A 3 0.264 -10.071 18.393 1.00 0.00 C ATOM 15 C SER A 3 -0.488 -9.439 17.227 1.00 0.00 C ATOM 16 O SER A 3 -1.537 -8.821 17.413 1.00 0.00 O ATOM 17 CB SER A 3 -0.070 -9.332 19.691 1.00 0.00 C ATOM 18 OG SER A 3 0.808 -9.712 20.736 1.00 0.00 O ATOM 0 H SER A 3 2.140 -10.970 18.132 1.00 0.00 H new ATOM 0 HA SER A 3 -0.050 -11.111 18.483 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.002 -8.256 19.528 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.099 -9.546 19.980 1.00 0.00 H new ATOM 0 HG SER A 3 0.574 -9.224 21.553 1.00 0.00 H new ATOM 24 N THR A 4 0.054 -9.599 16.024 1.00 0.00 N ATOM 25 CA THR A 4 -0.567 -9.044 14.827 1.00 0.00 C ATOM 26 C THR A 4 -1.797 -9.852 14.427 1.00 0.00 C ATOM 27 O THR A 4 -1.694 -11.029 14.082 1.00 0.00 O ATOM 28 CB THR A 4 0.437 -9.016 13.673 1.00 0.00 C ATOM 29 OG1 THR A 4 1.763 -8.914 14.165 1.00 0.00 O ATOM 30 CG2 THR A 4 0.214 -7.869 12.713 1.00 0.00 C ATOM 0 H THR A 4 0.921 -10.108 15.852 1.00 0.00 H new ATOM 0 HA THR A 4 -0.882 -8.025 15.051 1.00 0.00 H new ATOM 0 HB THR A 4 0.286 -9.952 13.135 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.391 -8.899 13.413 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.960 -7.909 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.783 -7.947 12.278 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.304 -6.924 13.248 1.00 0.00 H new ATOM 38 N SER A 5 -2.960 -9.210 14.474 1.00 0.00 N ATOM 39 CA SER A 5 -4.211 -9.869 14.116 1.00 0.00 C ATOM 40 C SER A 5 -5.011 -9.021 13.132 1.00 0.00 C ATOM 41 O SER A 5 -4.586 -7.931 12.749 1.00 0.00 O ATOM 42 CB SER A 5 -5.046 -10.140 15.369 1.00 0.00 C ATOM 43 OG SER A 5 -4.415 -11.095 16.205 1.00 0.00 O ATOM 0 H SER A 5 -3.062 -8.235 14.756 1.00 0.00 H new ATOM 0 HA SER A 5 -3.968 -10.818 13.637 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.194 -9.211 15.920 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.034 -10.500 15.081 1.00 0.00 H new ATOM 0 HG SER A 5 -4.967 -11.250 17.000 1.00 0.00 H new ATOM 49 N ARG A 6 -6.170 -9.529 12.727 1.00 0.00 N ATOM 50 CA ARG A 6 -7.029 -8.818 11.787 1.00 0.00 C ATOM 51 C ARG A 6 -8.346 -8.424 12.446 1.00 0.00 C ATOM 52 O ARG A 6 -9.157 -9.281 12.799 1.00 0.00 O ATOM 53 CB ARG A 6 -7.299 -9.684 10.554 1.00 0.00 C ATOM 54 CG ARG A 6 -6.399 -9.356 9.373 1.00 0.00 C ATOM 55 CD ARG A 6 -5.492 -10.523 9.017 1.00 0.00 C ATOM 56 NE ARG A 6 -6.252 -11.723 8.677 1.00 0.00 N ATOM 57 CZ ARG A 6 -6.881 -11.899 7.516 1.00 0.00 C ATOM 58 NH1 ARG A 6 -6.843 -10.954 6.584 1.00 0.00 N ATOM 59 NH2 ARG A 6 -7.549 -13.021 7.287 1.00 0.00 N ATOM 0 H ARG A 6 -6.536 -10.430 13.035 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.513 -7.909 11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.167 -10.733 10.821 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.339 -9.560 10.253 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.012 -9.095 8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.792 -8.482 9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.857 -10.245 8.175 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.831 -10.738 9.857 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.304 -12.470 9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.331 -10.089 6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.326 -11.093 5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.581 -13.750 8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.031 -13.155 6.398 1.00 0.00 H new ATOM 73 N LEU A 7 -8.555 -7.121 12.610 1.00 0.00 N ATOM 74 CA LEU A 7 -9.774 -6.613 13.226 1.00 0.00 C ATOM 75 C LEU A 7 -10.558 -5.745 12.246 1.00 0.00 C ATOM 76 O LEU A 7 -11.688 -6.069 11.881 1.00 0.00 O ATOM 77 CB LEU A 7 -9.437 -5.807 14.483 1.00 0.00 C ATOM 78 CG LEU A 7 -9.112 -6.643 15.720 1.00 0.00 C ATOM 79 CD1 LEU A 7 -8.181 -5.880 16.651 1.00 0.00 C ATOM 80 CD2 LEU A 7 -10.390 -7.037 16.446 1.00 0.00 C ATOM 0 H LEU A 7 -7.895 -6.398 12.324 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.394 -7.465 13.504 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.586 -5.162 14.265 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.279 -5.155 14.715 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.604 -7.552 15.398 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.961 -6.491 17.526 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.253 -5.648 16.128 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.661 -4.954 16.967 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.141 -7.632 17.325 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.924 -6.139 16.756 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.022 -7.623 15.778 1.00 0.00 H new ATOM 92 N ASP A 8 -9.949 -4.642 11.823 1.00 0.00 N ATOM 93 CA ASP A 8 -10.590 -3.728 10.884 1.00 0.00 C ATOM 94 C ASP A 8 -9.816 -3.667 9.572 1.00 0.00 C ATOM 95 O ASP A 8 -8.686 -4.149 9.483 1.00 0.00 O ATOM 96 CB ASP A 8 -10.695 -2.329 11.494 1.00 0.00 C ATOM 97 CG ASP A 8 -9.385 -1.862 12.099 1.00 0.00 C ATOM 98 OD1 ASP A 8 -8.338 -2.013 11.437 1.00 0.00 O ATOM 99 OD2 ASP A 8 -9.408 -1.345 13.236 1.00 0.00 O ATOM 0 H ASP A 8 -9.013 -4.359 12.115 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.592 -4.102 10.676 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.009 -1.623 10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.468 -2.328 12.263 1.00 0.00 H new ATOM 104 N ALA A 9 -10.431 -3.073 8.555 1.00 0.00 N ATOM 105 CA ALA A 9 -9.801 -2.949 7.245 1.00 0.00 C ATOM 106 C ALA A 9 -9.528 -4.321 6.636 1.00 0.00 C ATOM 107 O ALA A 9 -8.788 -5.125 7.201 1.00 0.00 O ATOM 108 CB ALA A 9 -8.511 -2.150 7.354 1.00 0.00 C ATOM 0 H ALA A 9 -11.366 -2.669 8.613 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.488 -2.419 6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.051 -2.065 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.731 -1.154 7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.825 -2.657 8.032 1.00 0.00 H new ATOM 114 N LEU A 10 -10.131 -4.580 5.481 1.00 0.00 N ATOM 115 CA LEU A 10 -9.954 -5.855 4.794 1.00 0.00 C ATOM 116 C LEU A 10 -8.898 -5.740 3.694 1.00 0.00 C ATOM 117 O LEU A 10 -9.134 -5.109 2.663 1.00 0.00 O ATOM 118 CB LEU A 10 -11.282 -6.321 4.193 1.00 0.00 C ATOM 119 CG LEU A 10 -12.161 -7.151 5.130 1.00 0.00 C ATOM 120 CD1 LEU A 10 -12.852 -6.253 6.146 1.00 0.00 C ATOM 121 CD2 LEU A 10 -13.184 -7.946 4.334 1.00 0.00 C ATOM 0 H LEU A 10 -10.747 -3.924 5.000 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.614 -6.589 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.845 -5.445 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.072 -6.910 3.300 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.525 -7.853 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.473 -6.860 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.102 -5.728 6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.477 -5.527 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.801 -8.531 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.817 -7.262 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.669 -8.616 3.646 1.00 0.00 H new ATOM 133 N PRO A 11 -7.713 -6.347 3.895 1.00 0.00 N ATOM 134 CA PRO A 11 -6.628 -6.302 2.909 1.00 0.00 C ATOM 135 C PRO A 11 -7.066 -6.817 1.542 1.00 0.00 C ATOM 136 O PRO A 11 -7.036 -8.021 1.283 1.00 0.00 O ATOM 137 CB PRO A 11 -5.557 -7.221 3.506 1.00 0.00 C ATOM 138 CG PRO A 11 -5.847 -7.247 4.966 1.00 0.00 C ATOM 139 CD PRO A 11 -7.339 -7.121 5.093 1.00 0.00 C ATOM 0 HA PRO A 11 -6.283 -5.283 2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.609 -8.221 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.555 -6.840 3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.494 -8.174 5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.341 -6.429 5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.826 -8.096 5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.623 -6.606 6.011 1.00 0.00 H new ATOM 147 N ARG A 12 -7.473 -5.900 0.671 1.00 0.00 N ATOM 148 CA ARG A 12 -7.916 -6.266 -0.670 1.00 0.00 C ATOM 149 C ARG A 12 -6.723 -6.446 -1.606 1.00 0.00 C ATOM 150 O ARG A 12 -6.430 -5.579 -2.429 1.00 0.00 O ATOM 151 CB ARG A 12 -8.867 -5.200 -1.225 1.00 0.00 C ATOM 152 CG ARG A 12 -10.310 -5.665 -1.324 1.00 0.00 C ATOM 153 CD ARG A 12 -11.038 -5.516 0.002 1.00 0.00 C ATOM 154 NE ARG A 12 -11.983 -4.400 -0.014 1.00 0.00 N ATOM 155 CZ ARG A 12 -13.200 -4.466 -0.551 1.00 0.00 C ATOM 156 NH1 ARG A 12 -13.623 -5.587 -1.120 1.00 0.00 N ATOM 157 NH2 ARG A 12 -13.995 -3.404 -0.519 1.00 0.00 N ATOM 0 H ARG A 12 -7.505 -4.900 0.869 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.448 -7.215 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.821 -4.317 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.523 -4.897 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.827 -5.088 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.336 -6.708 -1.639 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.571 -6.439 0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.311 -5.364 0.800 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.693 -3.519 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.015 -6.406 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.556 -5.631 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.674 -2.539 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.927 -3.452 -0.930 1.00 0.00 H new ATOM 171 N VAL A 13 -6.040 -7.578 -1.473 1.00 0.00 N ATOM 172 CA VAL A 13 -4.881 -7.874 -2.305 1.00 0.00 C ATOM 173 C VAL A 13 -4.791 -9.366 -2.608 1.00 0.00 C ATOM 174 O VAL A 13 -5.367 -10.188 -1.896 1.00 0.00 O ATOM 175 CB VAL A 13 -3.573 -7.420 -1.630 1.00 0.00 C ATOM 176 CG1 VAL A 13 -2.402 -7.549 -2.592 1.00 0.00 C ATOM 177 CG2 VAL A 13 -3.701 -5.992 -1.123 1.00 0.00 C ATOM 0 H VAL A 13 -6.270 -8.306 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.011 -7.322 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.383 -8.069 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.487 -7.224 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.297 -8.589 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.581 -6.927 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.767 -5.689 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.916 -5.327 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.512 -5.935 -0.396 1.00 0.00 H new ATOM 187 N THR A 14 -4.067 -9.709 -3.668 1.00 0.00 N ATOM 188 CA THR A 14 -3.907 -11.105 -4.063 1.00 0.00 C ATOM 189 C THR A 14 -2.562 -11.330 -4.745 1.00 0.00 C ATOM 190 O THR A 14 -1.864 -10.378 -5.097 1.00 0.00 O ATOM 191 CB THR A 14 -5.042 -11.525 -4.996 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.456 -10.438 -5.803 1.00 0.00 O ATOM 193 CG2 THR A 14 -6.260 -12.042 -4.263 1.00 0.00 C ATOM 0 H THR A 14 -3.582 -9.042 -4.268 1.00 0.00 H new ATOM 0 HA THR A 14 -3.941 -11.717 -3.161 1.00 0.00 H new ATOM 0 HB THR A 14 -4.633 -12.333 -5.602 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.182 -10.727 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.027 -12.322 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.985 -12.914 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.647 -11.263 -3.606 1.00 0.00 H new ATOM 201 N CYS A 15 -2.206 -12.597 -4.928 1.00 0.00 N ATOM 202 CA CYS A 15 -0.945 -12.956 -5.568 1.00 0.00 C ATOM 203 C CYS A 15 -1.194 -13.507 -6.973 1.00 0.00 C ATOM 204 O CYS A 15 -2.125 -14.284 -7.186 1.00 0.00 O ATOM 205 CB CYS A 15 -0.203 -13.990 -4.715 1.00 0.00 C ATOM 206 SG CYS A 15 1.288 -14.672 -5.483 1.00 0.00 S ATOM 0 H CYS A 15 -2.774 -13.394 -4.642 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.329 -12.061 -5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.072 -13.529 -3.766 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.885 -14.809 -4.486 1.00 0.00 H new ATOM 211 N PRO A 16 -0.363 -13.112 -7.955 1.00 0.00 N ATOM 212 CA PRO A 16 -0.504 -13.572 -9.343 1.00 0.00 C ATOM 213 C PRO A 16 -0.351 -15.082 -9.472 1.00 0.00 C ATOM 214 O PRO A 16 -1.112 -15.736 -10.184 1.00 0.00 O ATOM 215 CB PRO A 16 0.629 -12.852 -10.085 1.00 0.00 C ATOM 216 CG PRO A 16 1.596 -12.455 -9.023 1.00 0.00 C ATOM 217 CD PRO A 16 0.773 -12.189 -7.797 1.00 0.00 C ATOM 0 HA PRO A 16 -1.494 -13.351 -9.742 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.097 -13.506 -10.820 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.256 -11.981 -10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.323 -13.246 -8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.157 -11.568 -9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.333 -12.390 -6.884 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.446 -11.150 -7.748 1.00 0.00 H new ATOM 225 N ASN A 17 0.640 -15.627 -8.780 1.00 0.00 N ATOM 226 CA ASN A 17 0.899 -17.062 -8.815 1.00 0.00 C ATOM 227 C ASN A 17 0.168 -17.788 -7.683 1.00 0.00 C ATOM 228 O ASN A 17 0.201 -19.015 -7.604 1.00 0.00 O ATOM 229 CB ASN A 17 2.404 -17.331 -8.722 1.00 0.00 C ATOM 230 CG ASN A 17 2.999 -17.743 -10.054 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.367 -18.452 -10.837 1.00 0.00 O ATOM 232 ND2 ASN A 17 4.223 -17.299 -10.318 1.00 0.00 N ATOM 0 H ASN A 17 1.279 -15.098 -8.187 1.00 0.00 H new ATOM 0 HA ASN A 17 0.522 -17.446 -9.763 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.909 -16.435 -8.363 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.586 -18.115 -7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.675 -17.544 -11.199 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.710 -16.713 -9.640 1.00 0.00 H new ATOM 239 N HIS A 18 -0.489 -17.026 -6.813 1.00 0.00 N ATOM 240 CA HIS A 18 -1.223 -17.607 -5.694 1.00 0.00 C ATOM 241 C HIS A 18 -2.543 -16.872 -5.469 1.00 0.00 C ATOM 242 O HIS A 18 -2.682 -16.106 -4.515 1.00 0.00 O ATOM 243 CB HIS A 18 -0.374 -17.563 -4.421 1.00 0.00 C ATOM 244 CG HIS A 18 0.886 -18.363 -4.517 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.119 -17.789 -4.307 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.047 -19.679 -4.792 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.996 -18.770 -4.459 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.392 -19.931 -4.754 1.00 0.00 N ATOM 0 H HIS A 18 -0.528 -16.008 -6.861 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.445 -18.646 -5.937 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.121 -16.526 -4.198 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.967 -17.933 -3.585 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.264 -20.393 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.065 -18.650 -4.358 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.847 -20.829 -4.918 1.00 0.00 H new ATOM 256 N PRO A 19 -3.534 -17.099 -6.348 1.00 0.00 N ATOM 257 CA PRO A 19 -4.849 -16.458 -6.240 1.00 0.00 C ATOM 258 C PRO A 19 -5.572 -16.834 -4.951 1.00 0.00 C ATOM 259 O PRO A 19 -6.424 -16.090 -4.465 1.00 0.00 O ATOM 260 CB PRO A 19 -5.616 -16.984 -7.457 1.00 0.00 C ATOM 261 CG PRO A 19 -4.897 -18.226 -7.862 1.00 0.00 C ATOM 262 CD PRO A 19 -3.455 -17.999 -7.511 1.00 0.00 C ATOM 0 HA PRO A 19 -4.766 -15.371 -6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.656 -17.194 -7.207 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.624 -16.252 -8.265 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.294 -19.096 -7.339 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.014 -18.415 -8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.948 -18.932 -7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.906 -17.545 -8.336 1.00 0.00 H new ATOM 270 N ASP A 20 -5.228 -17.995 -4.402 1.00 0.00 N ATOM 271 CA ASP A 20 -5.845 -18.469 -3.169 1.00 0.00 C ATOM 272 C ASP A 20 -5.172 -17.847 -1.950 1.00 0.00 C ATOM 273 O ASP A 20 -5.838 -17.471 -0.985 1.00 0.00 O ATOM 274 CB ASP A 20 -5.763 -19.996 -3.089 1.00 0.00 C ATOM 275 CG ASP A 20 -4.356 -20.512 -3.311 1.00 0.00 C ATOM 276 OD1 ASP A 20 -3.496 -20.289 -2.433 1.00 0.00 O ATOM 277 OD2 ASP A 20 -4.113 -21.141 -4.362 1.00 0.00 O ATOM 0 H ASP A 20 -4.526 -18.624 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.892 -18.168 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.118 -20.325 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.429 -20.432 -3.834 1.00 0.00 H new ATOM 282 N ALA A 21 -3.848 -17.738 -2.001 1.00 0.00 N ATOM 283 CA ALA A 21 -3.085 -17.159 -0.902 1.00 0.00 C ATOM 284 C ALA A 21 -2.936 -15.652 -1.074 1.00 0.00 C ATOM 285 O ALA A 21 -2.256 -15.185 -1.987 1.00 0.00 O ATOM 286 CB ALA A 21 -1.718 -17.819 -0.801 1.00 0.00 C ATOM 0 H ALA A 21 -3.282 -18.043 -2.792 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.632 -17.341 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.160 -17.376 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.842 -18.887 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.171 -17.667 -1.732 1.00 0.00 H new ATOM 292 N ILE A 22 -3.581 -14.894 -0.193 1.00 0.00 N ATOM 293 CA ILE A 22 -3.528 -13.443 -0.246 1.00 0.00 C ATOM 294 C ILE A 22 -2.271 -12.907 0.431 1.00 0.00 C ATOM 295 O ILE A 22 -1.846 -13.417 1.468 1.00 0.00 O ATOM 296 CB ILE A 22 -4.763 -12.821 0.430 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.999 -13.454 1.804 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.990 -12.984 -0.453 1.00 0.00 C ATOM 299 CD1 ILE A 22 -5.425 -12.460 2.862 1.00 0.00 C ATOM 0 H ILE A 22 -4.148 -15.266 0.569 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.511 -13.164 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.580 -11.756 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.763 -14.226 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.084 -13.949 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.854 -12.539 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.820 -12.486 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.176 -14.044 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.574 -12.978 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.651 -11.702 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.357 -11.983 2.559 1.00 0.00 H new ATOM 311 N LEU A 23 -1.683 -11.872 -0.161 1.00 0.00 N ATOM 312 CA LEU A 23 -0.478 -11.260 0.387 1.00 0.00 C ATOM 313 C LEU A 23 -0.777 -10.584 1.722 1.00 0.00 C ATOM 314 O LEU A 23 -1.309 -9.474 1.760 1.00 0.00 O ATOM 315 CB LEU A 23 0.089 -10.237 -0.599 1.00 0.00 C ATOM 316 CG LEU A 23 1.324 -10.704 -1.368 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.916 -11.382 -2.666 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.257 -9.535 -1.644 1.00 0.00 C ATOM 0 H LEU A 23 -2.022 -11.440 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 23 0.261 -12.044 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.689 -9.974 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.341 -9.328 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 23 1.859 -11.429 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.807 -11.709 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.289 -12.246 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.359 -10.678 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.130 -9.888 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.735 -8.785 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.576 -9.093 -0.700 1.00 0.00 H new ATOM 330 N VAL A 24 -0.433 -11.257 2.814 1.00 0.00 N ATOM 331 CA VAL A 24 -0.666 -10.717 4.150 1.00 0.00 C ATOM 332 C VAL A 24 -0.030 -9.339 4.301 1.00 0.00 C ATOM 333 O VAL A 24 0.864 -8.974 3.540 1.00 0.00 O ATOM 334 CB VAL A 24 -0.108 -11.650 5.241 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.574 -11.201 6.618 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.518 -13.090 4.975 1.00 0.00 C ATOM 0 H VAL A 24 0.008 -12.177 2.802 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.746 -10.634 4.274 1.00 0.00 H new ATOM 0 HB VAL A 24 0.980 -11.597 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.170 -11.872 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.224 -10.186 6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.663 -11.222 6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.114 -13.734 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.605 -13.164 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.129 -13.406 4.007 1.00 0.00 H new ATOM 346 N GLU A 25 -0.497 -8.578 5.285 1.00 0.00 N ATOM 347 CA GLU A 25 0.028 -7.239 5.530 1.00 0.00 C ATOM 348 C GLU A 25 0.786 -7.180 6.853 1.00 0.00 C ATOM 349 O GLU A 25 0.734 -8.115 7.652 1.00 0.00 O ATOM 350 CB GLU A 25 -1.108 -6.214 5.533 1.00 0.00 C ATOM 351 CG GLU A 25 -2.097 -6.403 6.671 1.00 0.00 C ATOM 352 CD GLU A 25 -3.009 -5.206 6.856 1.00 0.00 C ATOM 353 OE1 GLU A 25 -3.776 -4.894 5.920 1.00 0.00 O ATOM 354 OE2 GLU A 25 -2.957 -4.580 7.935 1.00 0.00 O ATOM 0 H GLU A 25 -1.237 -8.865 5.925 1.00 0.00 H new ATOM 0 HA GLU A 25 0.723 -6.999 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.682 -5.213 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.642 -6.274 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.702 -7.289 6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.550 -6.585 7.596 1.00 0.00 H new ATOM 361 N ASP A 26 1.488 -6.073 7.077 1.00 0.00 N ATOM 362 CA ASP A 26 2.257 -5.890 8.303 1.00 0.00 C ATOM 363 C ASP A 26 1.393 -5.282 9.403 1.00 0.00 C ATOM 364 O ASP A 26 0.168 -5.230 9.286 1.00 0.00 O ATOM 365 CB ASP A 26 3.471 -4.995 8.037 1.00 0.00 C ATOM 366 CG ASP A 26 4.710 -5.468 8.771 1.00 0.00 C ATOM 367 OD1 ASP A 26 5.136 -6.619 8.538 1.00 0.00 O ATOM 368 OD2 ASP A 26 5.255 -4.688 9.580 1.00 0.00 O ATOM 0 H ASP A 26 1.540 -5.290 6.426 1.00 0.00 H new ATOM 0 HA ASP A 26 2.601 -6.869 8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.673 -4.971 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.240 -3.974 8.341 1.00 0.00 H new ATOM 373 N TYR A 27 2.038 -4.825 10.472 1.00 0.00 N ATOM 374 CA TYR A 27 1.329 -4.220 11.594 1.00 0.00 C ATOM 375 C TYR A 27 0.565 -2.977 11.149 1.00 0.00 C ATOM 376 O TYR A 27 -0.651 -2.890 11.313 1.00 0.00 O ATOM 377 CB TYR A 27 2.311 -3.857 12.708 1.00 0.00 C ATOM 378 CG TYR A 27 1.771 -4.104 14.099 1.00 0.00 C ATOM 379 CD1 TYR A 27 0.520 -3.629 14.474 1.00 0.00 C ATOM 380 CD2 TYR A 27 2.512 -4.811 15.037 1.00 0.00 C ATOM 381 CE1 TYR A 27 0.023 -3.852 15.744 1.00 0.00 C ATOM 382 CE2 TYR A 27 2.022 -5.038 16.309 1.00 0.00 C ATOM 383 CZ TYR A 27 0.778 -4.557 16.657 1.00 0.00 C ATOM 384 OH TYR A 27 0.288 -4.780 17.924 1.00 0.00 O ATOM 0 H TYR A 27 3.051 -4.862 10.585 1.00 0.00 H new ATOM 0 HA TYR A 27 0.612 -4.948 11.973 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.226 -4.434 12.576 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.581 -2.805 12.614 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.074 -3.076 13.761 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.487 -5.190 14.768 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.951 -3.476 16.020 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.611 -5.590 17.027 1.00 0.00 H new ATOM 0 HH TYR A 27 0.943 -5.293 18.442 1.00 0.00 H new ATOM 394 N ARG A 28 1.289 -2.015 10.584 1.00 0.00 N ATOM 395 CA ARG A 28 0.680 -0.774 10.113 1.00 0.00 C ATOM 396 C ARG A 28 0.422 -0.820 8.615 1.00 0.00 C ATOM 397 O ARG A 28 0.269 0.212 7.962 1.00 0.00 O ATOM 398 CB ARG A 28 1.582 0.406 10.441 1.00 0.00 C ATOM 399 CG ARG A 28 0.826 1.685 10.763 1.00 0.00 C ATOM 400 CD ARG A 28 1.576 2.913 10.275 1.00 0.00 C ATOM 401 NE ARG A 28 2.617 3.328 11.213 1.00 0.00 N ATOM 402 CZ ARG A 28 3.629 4.130 10.889 1.00 0.00 C ATOM 403 NH1 ARG A 28 3.741 4.605 9.655 1.00 0.00 N ATOM 404 NH2 ARG A 28 4.532 4.458 11.803 1.00 0.00 N ATOM 0 H ARG A 28 2.297 -2.070 10.441 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.277 -0.655 10.622 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.213 0.144 11.291 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.246 0.590 9.596 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.160 1.652 10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.671 1.756 11.840 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.026 2.701 9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.873 3.733 10.128 1.00 0.00 H new ATOM 0 HE ARG A 28 2.565 2.983 12.172 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.049 4.356 8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.519 5.219 9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.451 4.096 12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.308 5.072 11.556 1.00 0.00 H new ATOM 418 N ALA A 29 0.376 -2.026 8.085 1.00 0.00 N ATOM 419 CA ALA A 29 0.137 -2.236 6.661 1.00 0.00 C ATOM 420 C ALA A 29 1.223 -1.574 5.818 1.00 0.00 C ATOM 421 O ALA A 29 0.979 -1.173 4.680 1.00 0.00 O ATOM 422 CB ALA A 29 -1.233 -1.704 6.272 1.00 0.00 C ATOM 0 H ALA A 29 0.501 -2.885 8.620 1.00 0.00 H new ATOM 0 HA ALA A 29 0.167 -3.308 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.398 -1.867 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.001 -2.226 6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.283 -0.637 6.487 1.00 0.00 H new ATOM 428 N GLY A 30 2.421 -1.465 6.383 1.00 0.00 N ATOM 429 CA GLY A 30 3.525 -0.853 5.667 1.00 0.00 C ATOM 430 C GLY A 30 3.988 -1.693 4.493 1.00 0.00 C ATOM 431 O GLY A 30 4.380 -1.160 3.455 1.00 0.00 O ATOM 0 H GLY A 30 2.647 -1.789 7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.222 0.131 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.359 -0.700 6.352 1.00 0.00 H new ATOM 435 N ASP A 31 3.943 -3.010 4.659 1.00 0.00 N ATOM 436 CA ASP A 31 4.359 -3.929 3.607 1.00 0.00 C ATOM 437 C ASP A 31 3.499 -5.189 3.619 1.00 0.00 C ATOM 438 O ASP A 31 2.746 -5.428 4.563 1.00 0.00 O ATOM 439 CB ASP A 31 5.833 -4.301 3.778 1.00 0.00 C ATOM 440 CG ASP A 31 6.120 -4.918 5.134 1.00 0.00 C ATOM 441 OD1 ASP A 31 5.396 -5.859 5.523 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.068 -4.460 5.805 1.00 0.00 O ATOM 0 H ASP A 31 3.622 -3.465 5.513 1.00 0.00 H new ATOM 0 HA ASP A 31 4.229 -3.429 2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.121 -5.002 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.447 -3.410 3.650 1.00 0.00 H new ATOM 447 N MET A 32 3.614 -5.991 2.566 1.00 0.00 N ATOM 448 CA MET A 32 2.844 -7.225 2.460 1.00 0.00 C ATOM 449 C MET A 32 3.758 -8.418 2.203 1.00 0.00 C ATOM 450 O MET A 32 4.924 -8.252 1.847 1.00 0.00 O ATOM 451 CB MET A 32 1.808 -7.111 1.340 1.00 0.00 C ATOM 452 CG MET A 32 0.651 -6.182 1.673 1.00 0.00 C ATOM 453 SD MET A 32 0.440 -4.865 0.459 1.00 0.00 S ATOM 454 CE MET A 32 1.050 -3.455 1.379 1.00 0.00 C ATOM 0 H MET A 32 4.232 -5.809 1.775 1.00 0.00 H new ATOM 0 HA MET A 32 2.329 -7.383 3.407 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.301 -6.754 0.436 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.414 -8.103 1.118 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.269 -6.763 1.735 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.817 -5.741 2.656 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.984 -2.560 0.760 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.449 -3.319 2.278 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.089 -3.626 1.660 1.00 0.00 H new ATOM 464 N ILE A 33 3.220 -9.621 2.384 1.00 0.00 N ATOM 465 CA ILE A 33 3.988 -10.842 2.171 1.00 0.00 C ATOM 466 C ILE A 33 3.073 -12.017 1.842 1.00 0.00 C ATOM 467 O ILE A 33 2.053 -12.221 2.499 1.00 0.00 O ATOM 468 CB ILE A 33 4.841 -11.188 3.410 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.706 -12.430 3.145 1.00 0.00 C ATOM 470 CG2 ILE A 33 3.950 -11.383 4.631 1.00 0.00 C ATOM 471 CD1 ILE A 33 5.053 -13.745 3.528 1.00 0.00 C ATOM 0 H ILE A 33 2.255 -9.775 2.678 1.00 0.00 H new ATOM 0 HA ILE A 33 4.651 -10.661 1.325 1.00 0.00 H new ATOM 0 HB ILE A 33 5.513 -10.355 3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.961 -12.460 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.642 -12.330 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.567 -11.626 5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.396 -10.465 4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.250 -12.197 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.734 -14.567 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.823 -13.740 4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.132 -13.873 2.959 1.00 0.00 H new ATOM 483 N CYS A 34 3.442 -12.792 0.823 1.00 0.00 N ATOM 484 CA CYS A 34 2.642 -13.945 0.418 1.00 0.00 C ATOM 485 C CYS A 34 3.180 -15.228 1.050 1.00 0.00 C ATOM 486 O CYS A 34 4.272 -15.683 0.713 1.00 0.00 O ATOM 487 CB CYS A 34 2.639 -14.069 -1.105 1.00 0.00 C ATOM 488 SG CYS A 34 1.673 -15.456 -1.749 1.00 0.00 S ATOM 0 H CYS A 34 4.284 -12.643 0.267 1.00 0.00 H new ATOM 0 HA CYS A 34 1.620 -13.795 0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.249 -13.144 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.668 -14.170 -1.450 1.00 0.00 H new ATOM 493 N PRO A 35 2.422 -15.829 1.985 1.00 0.00 N ATOM 494 CA PRO A 35 2.837 -17.060 2.667 1.00 0.00 C ATOM 495 C PRO A 35 3.263 -18.162 1.699 1.00 0.00 C ATOM 496 O PRO A 35 3.992 -19.079 2.076 1.00 0.00 O ATOM 497 CB PRO A 35 1.582 -17.483 3.433 1.00 0.00 C ATOM 498 CG PRO A 35 0.832 -16.217 3.658 1.00 0.00 C ATOM 499 CD PRO A 35 1.107 -15.355 2.457 1.00 0.00 C ATOM 0 HA PRO A 35 3.709 -16.892 3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.990 -18.197 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.838 -17.965 4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.236 -16.409 3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.160 -15.726 4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.339 -15.475 1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.132 -14.297 2.720 1.00 0.00 H new ATOM 507 N GLU A 36 2.799 -18.078 0.455 1.00 0.00 N ATOM 508 CA GLU A 36 3.134 -19.082 -0.548 1.00 0.00 C ATOM 509 C GLU A 36 4.512 -18.825 -1.163 1.00 0.00 C ATOM 510 O GLU A 36 5.503 -19.414 -0.732 1.00 0.00 O ATOM 511 CB GLU A 36 2.060 -19.122 -1.635 1.00 0.00 C ATOM 512 CG GLU A 36 0.697 -19.559 -1.127 1.00 0.00 C ATOM 513 CD GLU A 36 0.633 -21.046 -0.833 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.701 -21.652 -0.606 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.484 -21.603 -0.831 1.00 0.00 O ATOM 0 H GLU A 36 2.193 -17.329 0.120 1.00 0.00 H new ATOM 0 HA GLU A 36 3.172 -20.052 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.971 -18.132 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.379 -19.802 -2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.455 -19.003 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.061 -19.306 -1.868 1.00 0.00 H new ATOM 522 N CYS A 37 4.578 -17.949 -2.167 1.00 0.00 N ATOM 523 CA CYS A 37 5.854 -17.645 -2.815 1.00 0.00 C ATOM 524 C CYS A 37 6.795 -16.927 -1.854 1.00 0.00 C ATOM 525 O CYS A 37 8.013 -16.962 -2.022 1.00 0.00 O ATOM 526 CB CYS A 37 5.660 -16.791 -4.074 1.00 0.00 C ATOM 527 SG CYS A 37 4.676 -15.298 -3.837 1.00 0.00 S ATOM 0 H CYS A 37 3.776 -17.444 -2.544 1.00 0.00 H new ATOM 0 HA CYS A 37 6.297 -18.597 -3.108 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.640 -16.505 -4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.185 -17.403 -4.841 1.00 0.00 H new ATOM 532 N GLY A 38 6.224 -16.273 -0.848 1.00 0.00 N ATOM 533 CA GLY A 38 7.031 -15.555 0.116 1.00 0.00 C ATOM 534 C GLY A 38 7.617 -14.285 -0.462 1.00 0.00 C ATOM 535 O GLY A 38 8.818 -14.040 -0.349 1.00 0.00 O ATOM 0 H GLY A 38 5.218 -16.228 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.422 -15.309 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.838 -16.200 0.464 1.00 0.00 H new ATOM 539 N LEU A 39 6.768 -13.471 -1.081 1.00 0.00 N ATOM 540 CA LEU A 39 7.217 -12.219 -1.675 1.00 0.00 C ATOM 541 C LEU A 39 6.960 -11.060 -0.723 1.00 0.00 C ATOM 542 O LEU A 39 6.305 -11.228 0.304 1.00 0.00 O ATOM 543 CB LEU A 39 6.519 -11.978 -3.019 1.00 0.00 C ATOM 544 CG LEU A 39 5.126 -11.344 -2.937 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.158 -9.913 -3.451 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.115 -12.170 -3.720 1.00 0.00 C ATOM 0 H LEU A 39 5.770 -13.655 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 39 8.290 -12.287 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.155 -11.336 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.435 -12.931 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 39 4.819 -11.326 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.160 -9.480 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.849 -9.325 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.488 -9.907 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.132 -11.704 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.419 -12.221 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.069 -13.177 -3.306 1.00 0.00 H new ATOM 558 N VAL A 40 7.479 -9.888 -1.068 1.00 0.00 N ATOM 559 CA VAL A 40 7.304 -8.704 -0.238 1.00 0.00 C ATOM 560 C VAL A 40 7.034 -7.469 -1.088 1.00 0.00 C ATOM 561 O VAL A 40 7.905 -7.006 -1.823 1.00 0.00 O ATOM 562 CB VAL A 40 8.539 -8.446 0.645 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.260 -7.337 1.645 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.963 -9.723 1.356 1.00 0.00 C ATOM 0 H VAL A 40 8.024 -9.733 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 40 6.443 -8.895 0.403 1.00 0.00 H new ATOM 0 HB VAL A 40 9.360 -8.125 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.145 -7.170 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.010 -6.420 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.424 -7.624 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.837 -9.522 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.146 -10.077 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.210 -10.486 0.618 1.00 0.00 H new ATOM 574 N VAL A 41 5.822 -6.939 -0.981 1.00 0.00 N ATOM 575 CA VAL A 41 5.435 -5.755 -1.738 1.00 0.00 C ATOM 576 C VAL A 41 5.678 -4.483 -0.933 1.00 0.00 C ATOM 577 O VAL A 41 5.186 -4.340 0.186 1.00 0.00 O ATOM 578 CB VAL A 41 3.952 -5.811 -2.152 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.609 -4.657 -3.081 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.633 -7.145 -2.809 1.00 0.00 C ATOM 0 H VAL A 41 5.089 -7.311 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 41 6.054 -5.738 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 41 3.341 -5.716 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.557 -4.716 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.797 -3.712 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.227 -4.715 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.581 -7.167 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.253 -7.271 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.835 -7.954 -2.107 1.00 0.00 H new ATOM 590 N GLY A 42 6.441 -3.560 -1.511 1.00 0.00 N ATOM 591 CA GLY A 42 6.736 -2.310 -0.834 1.00 0.00 C ATOM 592 C GLY A 42 7.769 -2.473 0.264 1.00 0.00 C ATOM 593 O GLY A 42 7.443 -2.395 1.448 1.00 0.00 O ATOM 0 H GLY A 42 6.860 -3.655 -2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.096 -1.583 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.818 -1.906 -0.407 1.00 0.00 H new ATOM 597 N ASP A 43 9.018 -2.700 -0.130 1.00 0.00 N ATOM 598 CA ASP A 43 10.102 -2.873 0.830 1.00 0.00 C ATOM 599 C ASP A 43 10.823 -1.553 1.080 1.00 0.00 C ATOM 600 O ASP A 43 10.980 -0.738 0.171 1.00 0.00 O ATOM 601 CB ASP A 43 11.095 -3.922 0.326 1.00 0.00 C ATOM 602 CG ASP A 43 11.559 -3.644 -1.091 1.00 0.00 C ATOM 603 OD1 ASP A 43 10.889 -4.109 -2.036 1.00 0.00 O ATOM 604 OD2 ASP A 43 12.591 -2.960 -1.253 1.00 0.00 O ATOM 0 H ASP A 43 9.304 -2.768 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 43 9.670 -3.214 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.959 -3.949 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.631 -4.907 0.367 1.00 0.00 H new ATOM 609 N ARG A 44 11.260 -1.346 2.318 1.00 0.00 N ATOM 610 CA ARG A 44 11.964 -0.123 2.687 1.00 0.00 C ATOM 611 C ARG A 44 12.961 -0.387 3.811 1.00 0.00 C ATOM 612 O ARG A 44 12.968 -1.464 4.407 1.00 0.00 O ATOM 613 CB ARG A 44 10.967 0.954 3.115 1.00 0.00 C ATOM 614 CG ARG A 44 10.044 0.514 4.240 1.00 0.00 C ATOM 615 CD ARG A 44 9.649 1.684 5.127 1.00 0.00 C ATOM 616 NE ARG A 44 8.583 1.327 6.060 1.00 0.00 N ATOM 617 CZ ARG A 44 8.772 0.599 7.159 1.00 0.00 C ATOM 618 NH1 ARG A 44 9.983 0.147 7.463 1.00 0.00 N ATOM 619 NH2 ARG A 44 7.749 0.321 7.955 1.00 0.00 N ATOM 0 H ARG A 44 11.139 -2.010 3.083 1.00 0.00 H new ATOM 0 HA ARG A 44 12.514 0.228 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.516 1.841 3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.365 1.243 2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.149 0.057 3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.539 -0.249 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.520 2.026 5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.322 2.517 4.504 1.00 0.00 H new ATOM 0 HE ARG A 44 7.638 1.655 5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.774 0.357 6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.123 -0.410 8.306 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.816 0.665 7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.894 -0.237 8.797 1.00 0.00 H new ATOM 633 N VAL A 45 13.799 0.604 4.097 1.00 0.00 N ATOM 634 CA VAL A 45 14.798 0.481 5.151 1.00 0.00 C ATOM 635 C VAL A 45 14.620 1.567 6.207 1.00 0.00 C ATOM 636 O VAL A 45 14.297 2.710 5.886 1.00 0.00 O ATOM 637 CB VAL A 45 16.227 0.562 4.582 1.00 0.00 C ATOM 638 CG1 VAL A 45 17.250 0.232 5.658 1.00 0.00 C ATOM 639 CG2 VAL A 45 16.380 -0.367 3.387 1.00 0.00 C ATOM 0 H VAL A 45 13.806 1.502 3.613 1.00 0.00 H new ATOM 0 HA VAL A 45 14.653 -0.496 5.612 1.00 0.00 H new ATOM 0 HB VAL A 45 16.406 1.583 4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 45 18.254 0.294 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 45 17.156 0.942 6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 45 17.074 -0.778 6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 45 17.396 -0.296 2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.181 -1.393 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.673 -0.078 2.609 1.00 0.00 H new ATOM 649 N ILE A 46 14.831 1.200 7.468 1.00 0.00 N ATOM 650 CA ILE A 46 14.691 2.145 8.570 1.00 0.00 C ATOM 651 C ILE A 46 16.016 2.332 9.307 1.00 0.00 C ATOM 652 O ILE A 46 16.084 2.205 10.529 1.00 0.00 O ATOM 653 CB ILE A 46 13.610 1.683 9.571 1.00 0.00 C ATOM 654 CG1 ILE A 46 13.382 2.754 10.641 1.00 0.00 C ATOM 655 CG2 ILE A 46 14.000 0.356 10.208 1.00 0.00 C ATOM 656 CD1 ILE A 46 12.127 3.570 10.420 1.00 0.00 C ATOM 0 H ILE A 46 15.099 0.257 7.751 1.00 0.00 H new ATOM 0 HA ILE A 46 14.387 3.098 8.137 1.00 0.00 H new ATOM 0 HB ILE A 46 12.676 1.536 9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.327 2.274 11.618 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.242 3.423 10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.225 0.048 10.910 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.109 -0.402 9.432 1.00 0.00 H new ATOM 0 HG23 ILE A 46 14.945 0.471 10.738 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.029 4.309 11.215 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.188 4.078 9.458 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.259 2.911 10.428 1.00 0.00 H new ATOM 668 N ASP A 47 17.068 2.637 8.552 1.00 0.00 N ATOM 669 CA ASP A 47 18.392 2.845 9.129 1.00 0.00 C ATOM 670 C ASP A 47 18.901 1.573 9.801 1.00 0.00 C ATOM 671 O ASP A 47 18.271 1.051 10.721 1.00 0.00 O ATOM 672 CB ASP A 47 18.356 3.991 10.142 1.00 0.00 C ATOM 673 CG ASP A 47 17.692 5.236 9.585 1.00 0.00 C ATOM 674 OD1 ASP A 47 17.691 5.404 8.347 1.00 0.00 O ATOM 675 OD2 ASP A 47 17.171 6.039 10.386 1.00 0.00 O ATOM 0 H ASP A 47 17.029 2.746 7.539 1.00 0.00 H new ATOM 0 HA ASP A 47 19.075 3.105 8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.822 3.666 11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 47 19.373 4.232 10.450 1.00 0.00 H new ATOM 680 N VAL A 48 20.048 1.084 9.338 1.00 0.00 N ATOM 681 CA VAL A 48 20.647 -0.122 9.891 1.00 0.00 C ATOM 682 C VAL A 48 19.735 -1.331 9.695 1.00 0.00 C ATOM 683 O VAL A 48 19.933 -2.126 8.776 1.00 0.00 O ATOM 684 CB VAL A 48 20.964 0.056 11.391 1.00 0.00 C ATOM 685 CG1 VAL A 48 21.472 -1.244 12.002 1.00 0.00 C ATOM 686 CG2 VAL A 48 21.976 1.174 11.591 1.00 0.00 C ATOM 0 H VAL A 48 20.581 1.508 8.579 1.00 0.00 H new ATOM 0 HA VAL A 48 21.579 -0.298 9.353 1.00 0.00 H new ATOM 0 HB VAL A 48 20.041 0.328 11.902 1.00 0.00 H new ATOM 0 HG11 VAL A 48 21.687 -1.089 13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 48 20.711 -2.017 11.896 1.00 0.00 H new ATOM 0 HG13 VAL A 48 22.381 -1.557 11.488 1.00 0.00 H new ATOM 0 HG21 VAL A 48 22.189 1.286 12.654 1.00 0.00 H new ATOM 0 HG22 VAL A 48 22.897 0.931 11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 48 21.569 2.107 11.202 1.00 0.00 H new ATOM 696 N GLY A 49 18.738 -1.464 10.561 1.00 0.00 N ATOM 697 CA GLY A 49 17.813 -2.578 10.464 1.00 0.00 C ATOM 698 C GLY A 49 18.051 -3.625 11.535 1.00 0.00 C ATOM 699 O GLY A 49 18.164 -3.299 12.716 1.00 0.00 O ATOM 0 H GLY A 49 18.553 -0.820 11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.792 -2.206 10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.907 -3.040 9.481 1.00 0.00 H new ATOM 703 N SER A 50 18.128 -4.886 11.119 1.00 0.00 N ATOM 704 CA SER A 50 18.354 -5.988 12.049 1.00 0.00 C ATOM 705 C SER A 50 17.200 -6.113 13.039 1.00 0.00 C ATOM 706 O SER A 50 16.695 -5.113 13.549 1.00 0.00 O ATOM 707 CB SER A 50 19.673 -5.789 12.802 1.00 0.00 C ATOM 708 OG SER A 50 19.492 -4.985 13.954 1.00 0.00 O ATOM 0 H SER A 50 18.037 -5.170 10.144 1.00 0.00 H new ATOM 0 HA SER A 50 18.412 -6.910 11.471 1.00 0.00 H new ATOM 0 HB2 SER A 50 20.078 -6.758 13.092 1.00 0.00 H new ATOM 0 HB3 SER A 50 20.404 -5.323 12.142 1.00 0.00 H new ATOM 0 HG SER A 50 19.240 -4.078 13.683 1.00 0.00 H new ATOM 714 N GLU A 51 16.786 -7.347 13.306 1.00 0.00 N ATOM 715 CA GLU A 51 15.691 -7.602 14.234 1.00 0.00 C ATOM 716 C GLU A 51 15.764 -9.021 14.787 1.00 0.00 C ATOM 717 O GLU A 51 15.616 -9.240 15.988 1.00 0.00 O ATOM 718 CB GLU A 51 14.344 -7.377 13.540 1.00 0.00 C ATOM 719 CG GLU A 51 13.594 -6.157 14.050 1.00 0.00 C ATOM 720 CD GLU A 51 12.136 -6.447 14.344 1.00 0.00 C ATOM 721 OE1 GLU A 51 11.577 -7.374 13.719 1.00 0.00 O ATOM 722 OE2 GLU A 51 11.552 -5.748 15.199 1.00 0.00 O ATOM 0 H GLU A 51 17.192 -8.186 12.893 1.00 0.00 H new ATOM 0 HA GLU A 51 15.783 -6.905 15.067 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.510 -7.269 12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.721 -8.261 13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.077 -5.791 14.956 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.659 -5.360 13.310 1.00 0.00 H new ATOM 729 N TRP A 52 15.995 -9.979 13.899 1.00 0.00 N ATOM 730 CA TRP A 52 16.089 -11.380 14.293 1.00 0.00 C ATOM 731 C TRP A 52 17.523 -11.746 14.660 1.00 0.00 C ATOM 732 O TRP A 52 18.465 -11.033 14.314 1.00 0.00 O ATOM 733 CB TRP A 52 15.593 -12.284 13.164 1.00 0.00 C ATOM 734 CG TRP A 52 15.523 -13.730 13.549 1.00 0.00 C ATOM 735 CD1 TRP A 52 16.326 -14.737 13.097 1.00 0.00 C ATOM 736 CD2 TRP A 52 14.600 -14.331 14.464 1.00 0.00 C ATOM 737 NE1 TRP A 52 15.959 -15.928 13.676 1.00 0.00 N ATOM 738 CE2 TRP A 52 14.901 -15.704 14.518 1.00 0.00 C ATOM 739 CE3 TRP A 52 13.548 -13.839 15.243 1.00 0.00 C ATOM 740 CZ2 TRP A 52 14.189 -16.591 15.321 1.00 0.00 C ATOM 741 CZ3 TRP A 52 12.842 -14.722 16.039 1.00 0.00 C ATOM 742 CH2 TRP A 52 13.165 -16.084 16.073 1.00 0.00 C ATOM 0 H TRP A 52 16.121 -9.812 12.901 1.00 0.00 H new ATOM 0 HA TRP A 52 15.459 -11.528 15.170 1.00 0.00 H new ATOM 0 HB2 TRP A 52 14.604 -11.951 12.849 1.00 0.00 H new ATOM 0 HB3 TRP A 52 16.254 -12.176 12.304 1.00 0.00 H new ATOM 0 HD1 TRP A 52 17.132 -14.616 12.388 1.00 0.00 H new ATOM 0 HE1 TRP A 52 16.402 -16.831 13.507 1.00 0.00 H new ATOM 0 HE3 TRP A 52 13.292 -12.790 15.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 14.436 -17.642 15.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.027 -14.355 16.645 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.594 -16.748 16.706 1.00 0.00 H new ATOM 753 N ARG A 53 17.681 -12.863 15.363 1.00 0.00 N ATOM 754 CA ARG A 53 19.000 -13.326 15.777 1.00 0.00 C ATOM 755 C ARG A 53 19.096 -14.845 15.693 1.00 0.00 C ATOM 756 O ARG A 53 18.124 -15.515 15.348 1.00 0.00 O ATOM 757 CB ARG A 53 19.299 -12.862 17.204 1.00 0.00 C ATOM 758 CG ARG A 53 19.399 -11.351 17.344 1.00 0.00 C ATOM 759 CD ARG A 53 19.690 -10.939 18.779 1.00 0.00 C ATOM 760 NE ARG A 53 20.731 -11.765 19.388 1.00 0.00 N ATOM 761 CZ ARG A 53 20.495 -12.906 20.034 1.00 0.00 C ATOM 762 NH1 ARG A 53 19.256 -13.364 20.163 1.00 0.00 N ATOM 763 NH2 ARG A 53 21.504 -13.592 20.555 1.00 0.00 N ATOM 0 H ARG A 53 16.912 -13.464 15.658 1.00 0.00 H new ATOM 0 HA ARG A 53 19.738 -12.897 15.099 1.00 0.00 H new ATOM 0 HB2 ARG A 53 18.516 -13.229 17.868 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.235 -13.312 17.535 1.00 0.00 H new ATOM 0 HG2 ARG A 53 20.187 -10.976 16.690 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.467 -10.892 17.015 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.999 -9.894 18.800 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.777 -11.014 19.369 1.00 0.00 H new ATOM 0 HE ARG A 53 21.698 -11.448 19.314 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.475 -12.841 19.766 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.085 -14.239 20.659 1.00 0.00 H new ATOM 0 HH21 ARG A 53 22.459 -13.246 20.461 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.325 -14.466 21.050 1.00 0.00 H new ATOM 777 N THR A 54 20.277 -15.374 16.011 1.00 0.00 N ATOM 778 CA THR A 54 20.522 -16.817 15.977 1.00 0.00 C ATOM 779 C THR A 54 20.097 -17.428 14.641 1.00 0.00 C ATOM 780 O THR A 54 19.476 -16.765 13.810 1.00 0.00 O ATOM 781 CB THR A 54 19.805 -17.514 17.140 1.00 0.00 C ATOM 782 OG1 THR A 54 20.277 -18.842 17.298 1.00 0.00 O ATOM 783 CG2 THR A 54 18.297 -17.577 16.986 1.00 0.00 C ATOM 0 H THR A 54 21.085 -14.821 16.297 1.00 0.00 H new ATOM 0 HA THR A 54 21.595 -16.972 16.085 1.00 0.00 H new ATOM 0 HB THR A 54 20.031 -16.903 18.014 1.00 0.00 H new ATOM 0 HG1 THR A 54 19.809 -19.269 18.046 1.00 0.00 H new ATOM 0 HG21 THR A 54 17.864 -18.084 17.848 1.00 0.00 H new ATOM 0 HG22 THR A 54 17.895 -16.566 16.920 1.00 0.00 H new ATOM 0 HG23 THR A 54 18.047 -18.126 16.078 1.00 0.00 H new ATOM 791 N PHE A 55 20.441 -18.694 14.441 1.00 0.00 N ATOM 792 CA PHE A 55 20.100 -19.393 13.207 1.00 0.00 C ATOM 793 C PHE A 55 20.084 -20.902 13.424 1.00 0.00 C ATOM 794 O PHE A 55 20.999 -21.463 14.028 1.00 0.00 O ATOM 795 CB PHE A 55 21.093 -19.034 12.101 1.00 0.00 C ATOM 796 CG PHE A 55 20.447 -18.801 10.766 1.00 0.00 C ATOM 797 CD1 PHE A 55 19.796 -17.607 10.495 1.00 0.00 C ATOM 798 CD2 PHE A 55 20.489 -19.776 9.781 1.00 0.00 C ATOM 799 CE1 PHE A 55 19.200 -17.390 9.267 1.00 0.00 C ATOM 800 CE2 PHE A 55 19.894 -19.565 8.552 1.00 0.00 C ATOM 801 CZ PHE A 55 19.249 -18.370 8.294 1.00 0.00 C ATOM 0 H PHE A 55 20.956 -19.258 15.117 1.00 0.00 H new ATOM 0 HA PHE A 55 19.102 -19.078 12.904 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.640 -18.137 12.392 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.824 -19.837 12.006 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.754 -16.838 11.252 1.00 0.00 H new ATOM 0 HD2 PHE A 55 20.993 -20.711 9.977 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.697 -16.455 9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 55 19.933 -20.333 7.794 1.00 0.00 H new ATOM 0 HZ PHE A 55 18.784 -18.203 7.334 1.00 0.00 H new ATOM 811 N SER A 56 19.037 -21.555 12.930 1.00 0.00 N ATOM 812 CA SER A 56 18.902 -22.999 13.069 1.00 0.00 C ATOM 813 C SER A 56 18.301 -23.614 11.810 1.00 0.00 C ATOM 814 O SER A 56 17.762 -22.907 10.958 1.00 0.00 O ATOM 815 CB SER A 56 18.030 -23.336 14.282 1.00 0.00 C ATOM 816 OG SER A 56 18.410 -24.575 14.854 1.00 0.00 O ATOM 0 H SER A 56 18.270 -21.106 12.430 1.00 0.00 H new ATOM 0 HA SER A 56 19.897 -23.419 13.216 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.117 -22.546 15.028 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.983 -23.376 13.981 1.00 0.00 H new ATOM 0 HG SER A 56 17.840 -24.767 15.628 1.00 0.00 H new ATOM 822 N ASN A 57 18.396 -24.934 11.699 1.00 0.00 N ATOM 823 CA ASN A 57 17.861 -25.644 10.543 1.00 0.00 C ATOM 824 C ASN A 57 16.565 -26.366 10.901 1.00 0.00 C ATOM 825 O ASN A 57 15.662 -26.488 10.074 1.00 0.00 O ATOM 826 CB ASN A 57 18.888 -26.646 10.013 1.00 0.00 C ATOM 827 CG ASN A 57 19.247 -27.703 11.040 1.00 0.00 C ATOM 828 OD1 ASN A 57 18.540 -28.699 11.195 1.00 0.00 O ATOM 829 ND2 ASN A 57 20.350 -27.490 11.748 1.00 0.00 N ATOM 0 H ASN A 57 18.838 -25.534 12.395 1.00 0.00 H new ATOM 0 HA ASN A 57 17.645 -24.911 9.765 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.492 -27.130 9.120 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.790 -26.113 9.713 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.641 -28.166 12.454 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.906 -26.650 11.586 1.00 0.00 H new ATOM 836 N ASP A 58 16.484 -26.843 12.138 1.00 0.00 N ATOM 837 CA ASP A 58 15.299 -27.552 12.608 1.00 0.00 C ATOM 838 C ASP A 58 14.309 -26.590 13.256 1.00 0.00 C ATOM 839 O ASP A 58 14.686 -25.760 14.082 1.00 0.00 O ATOM 840 CB ASP A 58 15.694 -28.643 13.604 1.00 0.00 C ATOM 841 CG ASP A 58 14.795 -29.860 13.517 1.00 0.00 C ATOM 842 OD1 ASP A 58 13.625 -29.766 13.945 1.00 0.00 O ATOM 843 OD2 ASP A 58 15.259 -30.907 13.020 1.00 0.00 O ATOM 0 H ASP A 58 17.224 -26.752 12.834 1.00 0.00 H new ATOM 0 HA ASP A 58 14.817 -28.013 11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.725 -28.943 13.419 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.656 -28.238 14.615 1.00 0.00 H new ATOM 848 N LYS A 59 13.042 -26.707 12.873 1.00 0.00 N ATOM 849 CA LYS A 59 11.997 -25.847 13.418 1.00 0.00 C ATOM 850 C LYS A 59 10.866 -26.677 14.016 1.00 0.00 C ATOM 851 O LYS A 59 10.735 -27.867 13.726 1.00 0.00 O ATOM 852 CB LYS A 59 11.447 -24.926 12.328 1.00 0.00 C ATOM 853 CG LYS A 59 10.954 -25.668 11.095 1.00 0.00 C ATOM 854 CD LYS A 59 9.534 -25.266 10.728 1.00 0.00 C ATOM 855 CE LYS A 59 8.520 -26.281 11.230 1.00 0.00 C ATOM 856 NZ LYS A 59 7.238 -26.206 10.476 1.00 0.00 N ATOM 857 OXT LYS A 59 9.946 -26.066 14.925 1.00 0.00 O ATOM 0 H LYS A 59 12.714 -27.388 12.188 1.00 0.00 H new ATOM 0 HA LYS A 59 12.436 -25.241 14.210 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.627 -24.339 12.740 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.225 -24.223 12.032 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.619 -25.462 10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.993 -26.742 11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.311 -24.287 11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.450 -25.171 9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.936 -27.284 11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.329 -26.109 12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.574 -26.914 10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.828 -25.256 10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.416 -26.395 9.469 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.441 -15.849 -3.874 1.00 0.00 ZN