USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 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 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00819 USER MOD Single : A 17 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.8!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 158:sc= -0.899 (180deg=-1.92) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.961 K(o=-0.96,f=-2.5) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= -0.0195 (180deg=-0.0803) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -11.180 1.807 -2.818 1.00 0.00 N ATOM 2 CA ALA A 2 -12.527 1.531 -3.385 1.00 0.00 C ATOM 3 C ALA A 2 -12.667 2.134 -4.779 1.00 0.00 C ATOM 4 O ALA A 2 -13.128 3.265 -4.933 1.00 0.00 O ATOM 5 CB ALA A 2 -13.607 2.076 -2.463 1.00 0.00 C ATOM 0 HA ALA A 2 -12.646 0.451 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.588 1.868 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.527 1.599 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.481 3.153 -2.352 1.00 0.00 H new ATOM 13 N SER A 3 -12.266 1.372 -5.791 1.00 0.00 N ATOM 14 CA SER A 3 -12.348 1.831 -7.172 1.00 0.00 C ATOM 15 C SER A 3 -13.786 1.781 -7.677 1.00 0.00 C ATOM 16 O SER A 3 -14.287 2.751 -8.247 1.00 0.00 O ATOM 17 CB SER A 3 -11.450 0.977 -8.069 1.00 0.00 C ATOM 18 OG SER A 3 -10.106 1.426 -8.022 1.00 0.00 O ATOM 0 H SER A 3 -11.881 0.434 -5.680 1.00 0.00 H new ATOM 0 HA SER A 3 -12.006 2.865 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.500 -0.065 -7.752 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.814 1.016 -9.096 1.00 0.00 H new ATOM 0 HG SER A 3 -9.552 0.863 -8.602 1.00 0.00 H new ATOM 24 N THR A 4 -14.443 0.646 -7.466 1.00 0.00 N ATOM 25 CA THR A 4 -15.824 0.470 -7.900 1.00 0.00 C ATOM 26 C THR A 4 -16.718 0.081 -6.727 1.00 0.00 C ATOM 27 O THR A 4 -16.481 -0.925 -6.060 1.00 0.00 O ATOM 28 CB THR A 4 -15.905 -0.598 -8.992 1.00 0.00 C ATOM 29 OG1 THR A 4 -14.869 -0.424 -9.942 1.00 0.00 O ATOM 30 CG2 THR A 4 -17.220 -0.589 -9.741 1.00 0.00 C ATOM 0 H THR A 4 -14.042 -0.166 -6.997 1.00 0.00 H new ATOM 0 HA THR A 4 -16.175 1.420 -8.303 1.00 0.00 H new ATOM 0 HB THR A 4 -15.808 -1.551 -8.472 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.937 -1.118 -10.631 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.211 -1.370 -10.501 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.037 -0.770 -9.043 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.360 0.380 -10.219 1.00 0.00 H new ATOM 38 N SER A 5 -17.747 0.887 -6.482 1.00 0.00 N ATOM 39 CA SER A 5 -18.676 0.626 -5.389 1.00 0.00 C ATOM 40 C SER A 5 -19.938 -0.060 -5.901 1.00 0.00 C ATOM 41 O SER A 5 -20.793 0.571 -6.522 1.00 0.00 O ATOM 42 CB SER A 5 -19.044 1.932 -4.682 1.00 0.00 C ATOM 43 OG SER A 5 -19.167 1.739 -3.284 1.00 0.00 O ATOM 0 H SER A 5 -17.958 1.724 -7.025 1.00 0.00 H new ATOM 0 HA SER A 5 -18.185 -0.038 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.282 2.685 -4.882 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.983 2.314 -5.083 1.00 0.00 H new ATOM 0 HG SER A 5 -19.401 2.589 -2.856 1.00 0.00 H new ATOM 49 N ARG A 6 -20.048 -1.358 -5.634 1.00 0.00 N ATOM 50 CA ARG A 6 -21.205 -2.132 -6.067 1.00 0.00 C ATOM 51 C ARG A 6 -21.143 -3.554 -5.519 1.00 0.00 C ATOM 52 O ARG A 6 -22.153 -4.107 -5.085 1.00 0.00 O ATOM 53 CB ARG A 6 -21.282 -2.164 -7.594 1.00 0.00 C ATOM 54 CG ARG A 6 -22.684 -2.400 -8.129 1.00 0.00 C ATOM 55 CD ARG A 6 -22.816 -1.940 -9.571 1.00 0.00 C ATOM 56 NE ARG A 6 -22.643 -0.495 -9.703 1.00 0.00 N ATOM 57 CZ ARG A 6 -23.591 0.394 -9.419 1.00 0.00 C ATOM 58 NH1 ARG A 6 -24.781 -0.009 -8.988 1.00 0.00 N ATOM 59 NH2 ARG A 6 -23.351 1.690 -9.568 1.00 0.00 N ATOM 0 H ARG A 6 -19.350 -1.895 -5.120 1.00 0.00 H new ATOM 0 HA ARG A 6 -22.101 -1.649 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -20.906 -1.220 -7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -20.624 -2.949 -7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -22.927 -3.461 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -23.405 -1.868 -7.509 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -22.074 -2.451 -10.184 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -23.796 -2.224 -9.954 1.00 0.00 H new ATOM 0 HE ARG A 6 -21.742 -0.148 -10.032 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -24.972 -1.004 -8.873 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -25.504 0.677 -8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -22.440 2.005 -9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -24.078 2.372 -9.350 1.00 0.00 H new ATOM 73 N LEU A 7 -19.952 -4.141 -5.544 1.00 0.00 N ATOM 74 CA LEU A 7 -19.756 -5.498 -5.050 1.00 0.00 C ATOM 75 C LEU A 7 -18.276 -5.791 -4.832 1.00 0.00 C ATOM 76 O LEU A 7 -17.425 -4.925 -5.040 1.00 0.00 O ATOM 77 CB LEU A 7 -20.351 -6.511 -6.032 1.00 0.00 C ATOM 78 CG LEU A 7 -20.092 -6.210 -7.511 1.00 0.00 C ATOM 79 CD1 LEU A 7 -19.074 -7.183 -8.086 1.00 0.00 C ATOM 80 CD2 LEU A 7 -21.390 -6.263 -8.304 1.00 0.00 C ATOM 0 H LEU A 7 -19.106 -3.697 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 7 -20.268 -5.586 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.948 -7.497 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.428 -6.561 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.684 -5.202 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.904 -6.952 -9.138 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -18.136 -7.094 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -19.452 -8.201 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -21.185 -6.046 -9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -21.829 -7.257 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -22.087 -5.523 -7.910 1.00 0.00 H new ATOM 92 N ASP A 8 -17.974 -7.015 -4.411 1.00 0.00 N ATOM 93 CA ASP A 8 -16.596 -7.421 -4.164 1.00 0.00 C ATOM 94 C ASP A 8 -15.752 -7.285 -5.426 1.00 0.00 C ATOM 95 O ASP A 8 -14.624 -6.794 -5.383 1.00 0.00 O ATOM 96 CB ASP A 8 -16.550 -8.864 -3.659 1.00 0.00 C ATOM 97 CG ASP A 8 -16.619 -8.951 -2.147 1.00 0.00 C ATOM 98 OD1 ASP A 8 -16.041 -8.071 -1.475 1.00 0.00 O ATOM 99 OD2 ASP A 8 -17.252 -9.898 -1.635 1.00 0.00 O ATOM 0 H ASP A 8 -18.666 -7.743 -4.234 1.00 0.00 H new ATOM 0 HA ASP A 8 -16.182 -6.762 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -17.380 -9.423 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.632 -9.338 -4.006 1.00 0.00 H new ATOM 104 N ALA A 9 -16.308 -7.724 -6.548 1.00 0.00 N ATOM 105 CA ALA A 9 -15.611 -7.654 -7.827 1.00 0.00 C ATOM 106 C ALA A 9 -14.267 -8.375 -7.763 1.00 0.00 C ATOM 107 O ALA A 9 -13.225 -7.799 -8.074 1.00 0.00 O ATOM 108 CB ALA A 9 -15.416 -6.202 -8.242 1.00 0.00 C ATOM 0 H ALA A 9 -17.241 -8.133 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.225 -8.155 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.894 -6.164 -9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.388 -5.718 -8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.826 -5.684 -7.486 1.00 0.00 H new ATOM 114 N LEU A 10 -14.299 -9.641 -7.357 1.00 0.00 N ATOM 115 CA LEU A 10 -13.085 -10.442 -7.251 1.00 0.00 C ATOM 116 C LEU A 10 -12.138 -9.856 -6.203 1.00 0.00 C ATOM 117 O LEU A 10 -12.041 -8.637 -6.057 1.00 0.00 O ATOM 118 CB LEU A 10 -12.381 -10.523 -8.608 1.00 0.00 C ATOM 119 CG LEU A 10 -11.991 -11.935 -9.053 1.00 0.00 C ATOM 120 CD1 LEU A 10 -13.040 -12.507 -9.993 1.00 0.00 C ATOM 121 CD2 LEU A 10 -10.623 -11.926 -9.719 1.00 0.00 C ATOM 0 H LEU A 10 -15.153 -10.134 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.367 -11.447 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.033 -10.087 -9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.481 -9.909 -8.571 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.938 -12.572 -8.170 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.746 -13.511 -10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.002 -12.551 -9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.126 -11.870 -10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.362 -12.938 -10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.648 -11.274 -10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.877 -11.559 -9.014 1.00 0.00 H new ATOM 133 N PRO A 11 -11.422 -10.718 -5.459 1.00 0.00 N ATOM 134 CA PRO A 11 -10.482 -10.273 -4.426 1.00 0.00 C ATOM 135 C PRO A 11 -9.468 -9.268 -4.963 1.00 0.00 C ATOM 136 O PRO A 11 -9.188 -9.235 -6.161 1.00 0.00 O ATOM 137 CB PRO A 11 -9.778 -11.564 -4.001 1.00 0.00 C ATOM 138 CG PRO A 11 -10.741 -12.650 -4.335 1.00 0.00 C ATOM 139 CD PRO A 11 -11.471 -12.189 -5.566 1.00 0.00 C ATOM 0 HA PRO A 11 -10.989 -9.761 -3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.835 -11.694 -4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.545 -11.555 -2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.221 -13.590 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.434 -12.824 -3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.987 -12.542 -6.477 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.497 -12.557 -5.587 1.00 0.00 H new ATOM 147 N ARG A 12 -8.922 -8.450 -4.070 1.00 0.00 N ATOM 148 CA ARG A 12 -7.940 -7.444 -4.454 1.00 0.00 C ATOM 149 C ARG A 12 -6.617 -7.669 -3.730 1.00 0.00 C ATOM 150 O ARG A 12 -6.538 -8.471 -2.800 1.00 0.00 O ATOM 151 CB ARG A 12 -8.469 -6.040 -4.149 1.00 0.00 C ATOM 152 CG ARG A 12 -8.071 -5.001 -5.185 1.00 0.00 C ATOM 153 CD ARG A 12 -7.000 -4.060 -4.655 1.00 0.00 C ATOM 154 NE ARG A 12 -7.303 -2.662 -4.956 1.00 0.00 N ATOM 155 CZ ARG A 12 -8.259 -1.964 -4.349 1.00 0.00 C ATOM 156 NH1 ARG A 12 -9.004 -2.527 -3.405 1.00 0.00 N ATOM 157 NH2 ARG A 12 -8.470 -0.698 -4.684 1.00 0.00 N ATOM 0 H ARG A 12 -9.143 -8.464 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.766 -7.535 -5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.556 -6.077 -4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.101 -5.726 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.704 -5.502 -6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.949 -4.425 -5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.907 -4.187 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.037 -4.324 -5.091 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.749 -2.194 -5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.845 -3.500 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.736 -1.987 -2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.899 -0.260 -5.407 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.203 -0.163 -4.219 1.00 0.00 H new ATOM 171 N VAL A 13 -5.580 -6.956 -4.169 1.00 0.00 N ATOM 172 CA VAL A 13 -4.251 -7.068 -3.571 1.00 0.00 C ATOM 173 C VAL A 13 -3.875 -8.526 -3.307 1.00 0.00 C ATOM 174 O VAL A 13 -3.361 -8.866 -2.240 1.00 0.00 O ATOM 175 CB VAL A 13 -4.154 -6.265 -2.256 1.00 0.00 C ATOM 176 CG1 VAL A 13 -5.117 -6.815 -1.212 1.00 0.00 C ATOM 177 CG2 VAL A 13 -2.725 -6.266 -1.730 1.00 0.00 C ATOM 0 H VAL A 13 -5.636 -6.291 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.548 -6.650 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.439 -5.234 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.030 -6.233 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.138 -6.749 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.873 -7.857 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.678 -5.695 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.408 -7.291 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.065 -5.812 -2.469 1.00 0.00 H new ATOM 187 N THR A 14 -4.137 -9.384 -4.287 1.00 0.00 N ATOM 188 CA THR A 14 -3.828 -10.804 -4.163 1.00 0.00 C ATOM 189 C THR A 14 -2.572 -11.159 -4.952 1.00 0.00 C ATOM 190 O THR A 14 -2.235 -10.498 -5.935 1.00 0.00 O ATOM 191 CB THR A 14 -5.009 -11.652 -4.647 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.976 -10.845 -5.297 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.708 -12.394 -3.529 1.00 0.00 C ATOM 0 H THR A 14 -4.563 -9.121 -5.176 1.00 0.00 H new ATOM 0 HA THR A 14 -3.646 -11.019 -3.110 1.00 0.00 H new ATOM 0 HB THR A 14 -4.579 -12.381 -5.334 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.720 -11.406 -5.600 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.534 -12.975 -3.939 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.001 -13.064 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.093 -11.678 -2.802 1.00 0.00 H new ATOM 201 N CYS A 15 -1.884 -12.208 -4.515 1.00 0.00 N ATOM 202 CA CYS A 15 -0.666 -12.659 -5.177 1.00 0.00 C ATOM 203 C CYS A 15 -0.936 -12.981 -6.648 1.00 0.00 C ATOM 204 O CYS A 15 -1.937 -13.618 -6.975 1.00 0.00 O ATOM 205 CB CYS A 15 -0.111 -13.892 -4.463 1.00 0.00 C ATOM 206 SG CYS A 15 1.442 -14.517 -5.148 1.00 0.00 S ATOM 0 H CYS A 15 -2.151 -12.764 -3.702 1.00 0.00 H new ATOM 0 HA CYS A 15 0.070 -11.857 -5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.041 -13.650 -3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.857 -14.686 -4.502 1.00 0.00 H new ATOM 211 N PRO A 16 -0.050 -12.538 -7.559 1.00 0.00 N ATOM 212 CA PRO A 16 -0.209 -12.781 -8.998 1.00 0.00 C ATOM 213 C PRO A 16 -0.094 -14.258 -9.361 1.00 0.00 C ATOM 214 O PRO A 16 -0.679 -14.711 -10.346 1.00 0.00 O ATOM 215 CB PRO A 16 0.939 -11.987 -9.629 1.00 0.00 C ATOM 216 CG PRO A 16 1.950 -11.852 -8.544 1.00 0.00 C ATOM 217 CD PRO A 16 1.170 -11.764 -7.263 1.00 0.00 C ATOM 0 HA PRO A 16 -1.197 -12.480 -9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.353 -12.508 -10.492 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.600 -11.011 -9.978 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.626 -12.707 -8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.563 -10.963 -8.690 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.723 -12.188 -6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.939 -10.731 -7.002 1.00 0.00 H new ATOM 225 N ASN A 17 0.663 -15.003 -8.565 1.00 0.00 N ATOM 226 CA ASN A 17 0.855 -16.429 -8.810 1.00 0.00 C ATOM 227 C ASN A 17 0.077 -17.281 -7.806 1.00 0.00 C ATOM 228 O ASN A 17 -0.035 -18.495 -7.971 1.00 0.00 O ATOM 229 CB ASN A 17 2.342 -16.782 -8.749 1.00 0.00 C ATOM 230 CG ASN A 17 2.697 -17.945 -9.655 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.033 -18.187 -10.663 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.751 -18.670 -9.301 1.00 0.00 N ATOM 0 H ASN A 17 1.154 -14.645 -7.745 1.00 0.00 H new ATOM 0 HA ASN A 17 0.472 -16.647 -9.807 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.932 -15.910 -9.033 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.612 -17.029 -7.722 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.039 -19.464 -9.873 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.273 -18.433 -8.457 1.00 0.00 H new ATOM 239 N HIS A 18 -0.456 -16.643 -6.768 1.00 0.00 N ATOM 240 CA HIS A 18 -1.216 -17.354 -5.746 1.00 0.00 C ATOM 241 C HIS A 18 -2.594 -16.728 -5.553 1.00 0.00 C ATOM 242 O HIS A 18 -2.784 -15.884 -4.676 1.00 0.00 O ATOM 243 CB HIS A 18 -0.453 -17.355 -4.421 1.00 0.00 C ATOM 244 CG HIS A 18 0.754 -18.235 -4.430 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.998 -17.763 -4.066 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.847 -19.548 -4.743 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.808 -18.808 -4.159 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.157 -19.905 -4.569 1.00 0.00 N ATOM 0 H HIS A 18 -0.376 -15.638 -6.613 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.350 -18.382 -6.081 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.148 -16.335 -4.186 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.123 -17.679 -3.625 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.042 -20.191 -5.068 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.863 -18.779 -3.932 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.560 -20.829 -4.722 1.00 0.00 H new ATOM 256 N PRO A 19 -3.580 -17.137 -6.369 1.00 0.00 N ATOM 257 CA PRO A 19 -4.947 -16.615 -6.277 1.00 0.00 C ATOM 258 C PRO A 19 -5.657 -17.093 -5.014 1.00 0.00 C ATOM 259 O PRO A 19 -6.424 -16.351 -4.402 1.00 0.00 O ATOM 260 CB PRO A 19 -5.629 -17.182 -7.523 1.00 0.00 C ATOM 261 CG PRO A 19 -4.865 -18.418 -7.844 1.00 0.00 C ATOM 262 CD PRO A 19 -3.443 -18.143 -7.438 1.00 0.00 C ATOM 0 HA PRO A 19 -4.969 -15.526 -6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.679 -17.404 -7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.598 -16.472 -8.349 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.266 -19.276 -7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.929 -18.652 -8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.946 -19.045 -7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.853 -17.764 -8.273 1.00 0.00 H new ATOM 270 N ASP A 20 -5.391 -18.338 -4.629 1.00 0.00 N ATOM 271 CA ASP A 20 -5.999 -18.916 -3.437 1.00 0.00 C ATOM 272 C ASP A 20 -5.163 -18.622 -2.191 1.00 0.00 C ATOM 273 O ASP A 20 -5.460 -19.117 -1.104 1.00 0.00 O ATOM 274 CB ASP A 20 -6.165 -20.428 -3.607 1.00 0.00 C ATOM 275 CG ASP A 20 -7.537 -20.804 -4.131 1.00 0.00 C ATOM 276 OD1 ASP A 20 -8.483 -20.878 -3.320 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.665 -21.024 -5.355 1.00 0.00 O ATOM 0 H ASP A 20 -4.758 -18.965 -5.126 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.980 -18.459 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.403 -20.800 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.998 -20.919 -2.648 1.00 0.00 H new ATOM 282 N ALA A 21 -4.120 -17.810 -2.352 1.00 0.00 N ATOM 283 CA ALA A 21 -3.249 -17.451 -1.241 1.00 0.00 C ATOM 284 C ALA A 21 -2.906 -15.967 -1.282 1.00 0.00 C ATOM 285 O ALA A 21 -1.856 -15.575 -1.792 1.00 0.00 O ATOM 286 CB ALA A 21 -1.982 -18.294 -1.268 1.00 0.00 C ATOM 0 H ALA A 21 -3.859 -17.389 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.779 -17.651 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.341 -18.014 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.245 -19.349 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.451 -18.123 -2.205 1.00 0.00 H new ATOM 292 N ILE A 22 -3.802 -15.144 -0.748 1.00 0.00 N ATOM 293 CA ILE A 22 -3.600 -13.701 -0.729 1.00 0.00 C ATOM 294 C ILE A 22 -2.449 -13.319 0.195 1.00 0.00 C ATOM 295 O ILE A 22 -2.322 -13.849 1.299 1.00 0.00 O ATOM 296 CB ILE A 22 -4.877 -12.960 -0.283 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.674 -11.445 -0.371 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.267 -13.370 1.132 1.00 0.00 C ATOM 299 CD1 ILE A 22 -5.854 -10.712 -0.973 1.00 0.00 C ATOM 0 H ILE A 22 -4.676 -15.453 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.355 -13.401 -1.748 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.690 -13.237 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.484 -11.053 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.786 -11.239 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.170 -12.837 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.453 -14.444 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.457 -13.123 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.641 -9.643 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.031 -11.077 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.741 -10.887 -0.364 1.00 0.00 H new ATOM 311 N LEU A 23 -1.612 -12.393 -0.265 1.00 0.00 N ATOM 312 CA LEU A 23 -0.471 -11.937 0.522 1.00 0.00 C ATOM 313 C LEU A 23 -0.921 -11.437 1.892 1.00 0.00 C ATOM 314 O LEU A 23 -2.098 -11.531 2.241 1.00 0.00 O ATOM 315 CB LEU A 23 0.278 -10.832 -0.219 1.00 0.00 C ATOM 316 CG LEU A 23 -0.634 -9.834 -0.906 1.00 0.00 C ATOM 317 CD1 LEU A 23 -0.361 -8.420 -0.417 1.00 0.00 C ATOM 318 CD2 LEU A 23 -0.493 -9.922 -2.419 1.00 0.00 C ATOM 0 H LEU A 23 -1.702 -11.945 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 23 0.200 -12.783 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.917 -10.301 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.933 -11.285 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.663 -10.086 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.028 -7.724 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.532 -8.367 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.674 -8.154 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.157 -9.197 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.538 -9.707 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.758 -10.926 -2.751 1.00 0.00 H new ATOM 330 N VAL A 24 0.019 -10.908 2.665 1.00 0.00 N ATOM 331 CA VAL A 24 -0.286 -10.395 3.995 1.00 0.00 C ATOM 332 C VAL A 24 0.104 -8.926 4.115 1.00 0.00 C ATOM 333 O VAL A 24 0.906 -8.423 3.331 1.00 0.00 O ATOM 334 CB VAL A 24 0.442 -11.200 5.090 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.072 -10.814 6.469 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.282 -12.695 4.851 1.00 0.00 C ATOM 0 H VAL A 24 0.999 -10.823 2.394 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.362 -10.498 4.137 1.00 0.00 H new ATOM 0 HB VAL A 24 1.504 -10.961 5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.454 -11.393 7.228 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.102 -9.751 6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.140 -11.021 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.803 -13.246 5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.776 -12.955 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.705 -12.956 3.881 1.00 0.00 H new ATOM 346 N GLU A 25 -0.469 -8.243 5.101 1.00 0.00 N ATOM 347 CA GLU A 25 -0.178 -6.831 5.320 1.00 0.00 C ATOM 348 C GLU A 25 0.391 -6.603 6.717 1.00 0.00 C ATOM 349 O GLU A 25 -0.348 -6.329 7.663 1.00 0.00 O ATOM 350 CB GLU A 25 -1.443 -5.991 5.129 1.00 0.00 C ATOM 351 CG GLU A 25 -1.161 -4.535 4.801 1.00 0.00 C ATOM 352 CD GLU A 25 -2.332 -3.853 4.120 1.00 0.00 C ATOM 353 OE1 GLU A 25 -3.043 -4.527 3.346 1.00 0.00 O ATOM 354 OE2 GLU A 25 -2.537 -2.645 4.361 1.00 0.00 O ATOM 0 H GLU A 25 -1.136 -8.644 5.760 1.00 0.00 H new ATOM 0 HA GLU A 25 0.568 -6.522 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.041 -6.426 4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.043 -6.041 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.918 -4.000 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.285 -4.475 4.155 1.00 0.00 H new ATOM 361 N ASP A 26 1.709 -6.720 6.839 1.00 0.00 N ATOM 362 CA ASP A 26 2.379 -6.528 8.120 1.00 0.00 C ATOM 363 C ASP A 26 2.127 -5.125 8.662 1.00 0.00 C ATOM 364 O ASP A 26 2.040 -4.161 7.901 1.00 0.00 O ATOM 365 CB ASP A 26 3.883 -6.768 7.974 1.00 0.00 C ATOM 366 CG ASP A 26 4.463 -7.534 9.145 1.00 0.00 C ATOM 367 OD1 ASP A 26 3.937 -7.391 10.269 1.00 0.00 O ATOM 368 OD2 ASP A 26 5.445 -8.279 8.940 1.00 0.00 O ATOM 0 H ASP A 26 2.335 -6.947 6.066 1.00 0.00 H new ATOM 0 HA ASP A 26 1.969 -7.250 8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.072 -7.320 7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.394 -5.809 7.882 1.00 0.00 H new ATOM 373 N TYR A 27 2.013 -5.017 9.981 1.00 0.00 N ATOM 374 CA TYR A 27 1.773 -3.732 10.625 1.00 0.00 C ATOM 375 C TYR A 27 3.089 -3.001 10.883 1.00 0.00 C ATOM 376 O TYR A 27 3.400 -2.637 12.017 1.00 0.00 O ATOM 377 CB TYR A 27 1.009 -3.932 11.938 1.00 0.00 C ATOM 378 CG TYR A 27 -0.464 -3.610 11.836 1.00 0.00 C ATOM 379 CD1 TYR A 27 -0.893 -2.339 11.471 1.00 0.00 C ATOM 380 CD2 TYR A 27 -1.427 -4.575 12.104 1.00 0.00 C ATOM 381 CE1 TYR A 27 -2.239 -2.041 11.376 1.00 0.00 C ATOM 382 CE2 TYR A 27 -2.775 -4.283 12.013 1.00 0.00 C ATOM 383 CZ TYR A 27 -3.175 -3.016 11.648 1.00 0.00 C ATOM 384 OH TYR A 27 -4.516 -2.722 11.555 1.00 0.00 O ATOM 0 H TYR A 27 2.083 -5.805 10.625 1.00 0.00 H new ATOM 0 HA TYR A 27 1.168 -3.120 9.956 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.125 -4.966 12.262 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.457 -3.305 12.709 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.163 -1.572 11.258 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.117 -5.570 12.388 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.556 -1.049 11.090 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.511 -5.044 12.227 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.042 -3.519 11.778 1.00 0.00 H new ATOM 394 N ARG A 28 3.855 -2.788 9.819 1.00 0.00 N ATOM 395 CA ARG A 28 5.135 -2.100 9.915 1.00 0.00 C ATOM 396 C ARG A 28 5.607 -1.658 8.537 1.00 0.00 C ATOM 397 O ARG A 28 5.976 -2.479 7.698 1.00 0.00 O ATOM 398 CB ARG A 28 6.192 -3.000 10.555 1.00 0.00 C ATOM 399 CG ARG A 28 6.428 -2.721 12.031 1.00 0.00 C ATOM 400 CD ARG A 28 7.043 -1.348 12.248 1.00 0.00 C ATOM 401 NE ARG A 28 6.913 -0.903 13.634 1.00 0.00 N ATOM 402 CZ ARG A 28 5.786 -0.421 14.155 1.00 0.00 C ATOM 403 NH1 ARG A 28 4.693 -0.319 13.410 1.00 0.00 N ATOM 404 NH2 ARG A 28 5.754 -0.041 15.425 1.00 0.00 N ATOM 0 H ARG A 28 3.609 -3.084 8.875 1.00 0.00 H new ATOM 0 HA ARG A 28 4.995 -1.221 10.545 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.889 -4.040 10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.132 -2.878 10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.483 -2.787 12.570 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.086 -3.485 12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.097 -1.376 11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.561 -0.626 11.589 1.00 0.00 H new ATOM 0 HE ARG A 28 7.733 -0.965 14.237 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.713 -0.610 12.433 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.833 0.051 13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.592 -0.118 16.002 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.892 0.328 15.825 1.00 0.00 H new ATOM 418 N ALA A 29 5.589 -0.355 8.318 1.00 0.00 N ATOM 419 CA ALA A 29 6.012 0.218 7.045 1.00 0.00 C ATOM 420 C ALA A 29 5.125 -0.260 5.899 1.00 0.00 C ATOM 421 O ALA A 29 5.535 -0.246 4.738 1.00 0.00 O ATOM 422 CB ALA A 29 7.467 -0.128 6.768 1.00 0.00 C ATOM 0 H ALA A 29 5.285 0.333 9.007 1.00 0.00 H new ATOM 0 HA ALA A 29 5.913 1.301 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.769 0.306 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.094 0.273 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.582 -1.211 6.726 1.00 0.00 H new ATOM 428 N GLY A 30 3.907 -0.682 6.229 1.00 0.00 N ATOM 429 CA GLY A 30 2.983 -1.156 5.214 1.00 0.00 C ATOM 430 C GLY A 30 3.576 -2.250 4.346 1.00 0.00 C ATOM 431 O GLY A 30 3.226 -2.377 3.173 1.00 0.00 O ATOM 0 H GLY A 30 3.544 -0.704 7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.080 -1.530 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.683 -0.320 4.583 1.00 0.00 H new ATOM 435 N ASP A 31 4.475 -3.040 4.923 1.00 0.00 N ATOM 436 CA ASP A 31 5.117 -4.127 4.192 1.00 0.00 C ATOM 437 C ASP A 31 4.196 -5.340 4.099 1.00 0.00 C ATOM 438 O ASP A 31 3.514 -5.689 5.063 1.00 0.00 O ATOM 439 CB ASP A 31 6.430 -4.521 4.871 1.00 0.00 C ATOM 440 CG ASP A 31 7.576 -3.606 4.487 1.00 0.00 C ATOM 441 OD1 ASP A 31 7.853 -3.478 3.276 1.00 0.00 O ATOM 442 OD2 ASP A 31 8.195 -3.015 5.396 1.00 0.00 O ATOM 0 H ASP A 31 4.776 -2.948 5.893 1.00 0.00 H new ATOM 0 HA ASP A 31 5.329 -3.776 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.298 -4.499 5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.682 -5.547 4.602 1.00 0.00 H new ATOM 447 N MET A 32 4.180 -5.977 2.932 1.00 0.00 N ATOM 448 CA MET A 32 3.342 -7.152 2.714 1.00 0.00 C ATOM 449 C MET A 32 4.192 -8.376 2.391 1.00 0.00 C ATOM 450 O MET A 32 5.318 -8.251 1.909 1.00 0.00 O ATOM 451 CB MET A 32 2.350 -6.890 1.580 1.00 0.00 C ATOM 452 CG MET A 32 1.208 -5.965 1.970 1.00 0.00 C ATOM 453 SD MET A 32 0.760 -4.818 0.653 1.00 0.00 S ATOM 454 CE MET A 32 0.006 -3.495 1.596 1.00 0.00 C ATOM 0 H MET A 32 4.737 -5.700 2.124 1.00 0.00 H new ATOM 0 HA MET A 32 2.790 -7.350 3.633 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.884 -6.457 0.734 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.937 -7.841 1.243 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.337 -6.563 2.237 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.491 -5.400 2.858 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.032 -2.573 1.015 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.029 -3.753 1.821 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.555 -3.353 2.527 1.00 0.00 H new ATOM 464 N ILE A 33 3.648 -9.560 2.660 1.00 0.00 N ATOM 465 CA ILE A 33 4.363 -10.806 2.402 1.00 0.00 C ATOM 466 C ILE A 33 3.391 -11.951 2.112 1.00 0.00 C ATOM 467 O ILE A 33 2.411 -12.136 2.832 1.00 0.00 O ATOM 468 CB ILE A 33 5.266 -11.181 3.601 1.00 0.00 C ATOM 469 CG1 ILE A 33 6.300 -12.237 3.199 1.00 0.00 C ATOM 470 CG2 ILE A 33 4.430 -11.666 4.779 1.00 0.00 C ATOM 471 CD1 ILE A 33 5.704 -13.594 2.889 1.00 0.00 C ATOM 0 H ILE A 33 2.716 -9.682 3.056 1.00 0.00 H new ATOM 0 HA ILE A 33 4.988 -10.648 1.523 1.00 0.00 H new ATOM 0 HB ILE A 33 5.802 -10.284 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.845 -11.882 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.026 -12.346 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.087 -11.924 5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.746 -10.876 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.859 -12.545 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.499 -14.286 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.183 -13.972 3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.000 -13.502 2.062 1.00 0.00 H new ATOM 483 N CYS A 34 3.671 -12.724 1.062 1.00 0.00 N ATOM 484 CA CYS A 34 2.816 -13.849 0.701 1.00 0.00 C ATOM 485 C CYS A 34 3.243 -15.105 1.458 1.00 0.00 C ATOM 486 O CYS A 34 4.398 -15.521 1.379 1.00 0.00 O ATOM 487 CB CYS A 34 2.877 -14.092 -0.807 1.00 0.00 C ATOM 488 SG CYS A 34 1.754 -15.374 -1.422 1.00 0.00 S ATOM 0 H CYS A 34 4.478 -12.591 0.452 1.00 0.00 H new ATOM 0 HA CYS A 34 1.789 -13.611 0.977 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.652 -13.157 -1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.898 -14.365 -1.075 1.00 0.00 H new ATOM 493 N PRO A 35 2.319 -15.726 2.211 1.00 0.00 N ATOM 494 CA PRO A 35 2.619 -16.933 2.989 1.00 0.00 C ATOM 495 C PRO A 35 2.891 -18.153 2.114 1.00 0.00 C ATOM 496 O PRO A 35 3.241 -19.220 2.618 1.00 0.00 O ATOM 497 CB PRO A 35 1.352 -17.147 3.821 1.00 0.00 C ATOM 498 CG PRO A 35 0.270 -16.478 3.046 1.00 0.00 C ATOM 499 CD PRO A 35 0.915 -15.299 2.374 1.00 0.00 C ATOM 0 HA PRO A 35 3.524 -16.809 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.143 -18.208 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.453 -16.712 4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.163 -17.158 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.540 -16.159 3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.448 -15.078 1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.837 -14.397 2.982 1.00 0.00 H new ATOM 507 N GLU A 36 2.725 -18.000 0.803 1.00 0.00 N ATOM 508 CA GLU A 36 2.952 -19.100 -0.122 1.00 0.00 C ATOM 509 C GLU A 36 4.319 -18.986 -0.801 1.00 0.00 C ATOM 510 O GLU A 36 5.226 -19.763 -0.503 1.00 0.00 O ATOM 511 CB GLU A 36 1.836 -19.144 -1.164 1.00 0.00 C ATOM 512 CG GLU A 36 1.690 -20.495 -1.842 1.00 0.00 C ATOM 513 CD GLU A 36 1.526 -21.631 -0.852 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.121 -21.361 0.298 1.00 0.00 O ATOM 515 OE2 GLU A 36 1.806 -22.789 -1.225 1.00 0.00 O ATOM 0 H GLU A 36 2.435 -17.128 0.361 1.00 0.00 H new ATOM 0 HA GLU A 36 2.944 -20.030 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.892 -18.884 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.028 -18.385 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.827 -20.471 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.567 -20.682 -2.462 1.00 0.00 H new ATOM 522 N CYS A 37 4.474 -18.017 -1.706 1.00 0.00 N ATOM 523 CA CYS A 37 5.749 -17.834 -2.398 1.00 0.00 C ATOM 524 C CYS A 37 6.756 -17.121 -1.504 1.00 0.00 C ATOM 525 O CYS A 37 7.966 -17.288 -1.662 1.00 0.00 O ATOM 526 CB CYS A 37 5.583 -17.034 -3.698 1.00 0.00 C ATOM 527 SG CYS A 37 4.708 -15.468 -3.520 1.00 0.00 S ATOM 0 H CYS A 37 3.744 -17.357 -1.973 1.00 0.00 H new ATOM 0 HA CYS A 37 6.117 -18.830 -2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.571 -16.836 -4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.050 -17.651 -4.421 1.00 0.00 H new ATOM 532 N GLY A 38 6.252 -16.316 -0.576 1.00 0.00 N ATOM 533 CA GLY A 38 7.130 -15.581 0.312 1.00 0.00 C ATOM 534 C GLY A 38 7.692 -14.345 -0.360 1.00 0.00 C ATOM 535 O GLY A 38 8.893 -14.083 -0.292 1.00 0.00 O ATOM 0 H GLY A 38 5.256 -16.160 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.583 -15.292 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.948 -16.226 0.632 1.00 0.00 H new ATOM 539 N LEU A 39 6.819 -13.590 -1.018 1.00 0.00 N ATOM 540 CA LEU A 39 7.232 -12.378 -1.717 1.00 0.00 C ATOM 541 C LEU A 39 7.022 -11.149 -0.841 1.00 0.00 C ATOM 542 O LEU A 39 6.505 -11.253 0.268 1.00 0.00 O ATOM 543 CB LEU A 39 6.459 -12.234 -3.035 1.00 0.00 C ATOM 544 CG LEU A 39 5.073 -11.590 -2.918 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.120 -10.139 -3.372 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.051 -12.371 -3.731 1.00 0.00 C ATOM 0 H LEU A 39 5.822 -13.795 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 39 8.296 -12.458 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.059 -11.641 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.345 -13.223 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 39 4.770 -11.614 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.128 -9.697 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.821 -9.585 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.445 -10.093 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.073 -11.899 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.350 -12.379 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.997 -13.395 -3.361 1.00 0.00 H new ATOM 558 N VAL A 40 7.430 -9.990 -1.344 1.00 0.00 N ATOM 559 CA VAL A 40 7.285 -8.745 -0.600 1.00 0.00 C ATOM 560 C VAL A 40 6.696 -7.643 -1.474 1.00 0.00 C ATOM 561 O VAL A 40 7.342 -7.164 -2.405 1.00 0.00 O ATOM 562 CB VAL A 40 8.637 -8.267 -0.036 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.436 -7.088 0.904 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.353 -9.407 0.673 1.00 0.00 C ATOM 0 H VAL A 40 7.863 -9.886 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 40 6.605 -8.951 0.226 1.00 0.00 H new ATOM 0 HB VAL A 40 9.261 -7.938 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.401 -6.764 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.969 -6.266 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.794 -7.388 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.306 -9.051 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.735 -9.769 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.531 -10.219 -0.032 1.00 0.00 H new ATOM 574 N VAL A 41 5.466 -7.245 -1.165 1.00 0.00 N ATOM 575 CA VAL A 41 4.792 -6.195 -1.922 1.00 0.00 C ATOM 576 C VAL A 41 4.928 -4.847 -1.224 1.00 0.00 C ATOM 577 O VAL A 41 4.708 -4.735 -0.018 1.00 0.00 O ATOM 578 CB VAL A 41 3.295 -6.507 -2.119 1.00 0.00 C ATOM 579 CG1 VAL A 41 2.689 -5.572 -3.154 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.096 -7.959 -2.523 1.00 0.00 C ATOM 0 H VAL A 41 4.917 -7.632 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 41 5.275 -6.152 -2.898 1.00 0.00 H new ATOM 0 HB VAL A 41 2.783 -6.347 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.632 -5.806 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.795 -4.540 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.205 -5.699 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.032 -8.157 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.621 -8.152 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.491 -8.611 -1.744 1.00 0.00 H new ATOM 590 N GLY A 42 5.291 -3.823 -1.990 1.00 0.00 N ATOM 591 CA GLY A 42 5.451 -2.495 -1.426 1.00 0.00 C ATOM 592 C GLY A 42 6.758 -2.338 -0.675 1.00 0.00 C ATOM 593 O GLY A 42 6.812 -2.540 0.539 1.00 0.00 O ATOM 0 H GLY A 42 5.477 -3.889 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.404 -1.756 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.621 -2.288 -0.751 1.00 0.00 H new ATOM 597 N ASP A 43 7.814 -1.978 -1.397 1.00 0.00 N ATOM 598 CA ASP A 43 9.126 -1.794 -0.791 1.00 0.00 C ATOM 599 C ASP A 43 9.343 -0.339 -0.391 1.00 0.00 C ATOM 600 O ASP A 43 8.692 0.564 -0.916 1.00 0.00 O ATOM 601 CB ASP A 43 10.224 -2.237 -1.760 1.00 0.00 C ATOM 602 CG ASP A 43 10.230 -3.737 -1.983 1.00 0.00 C ATOM 603 OD1 ASP A 43 9.199 -4.271 -2.443 1.00 0.00 O ATOM 604 OD2 ASP A 43 11.264 -4.376 -1.696 1.00 0.00 O ATOM 0 H ASP A 43 7.786 -1.808 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 43 9.172 -2.409 0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.087 -1.731 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.194 -1.927 -1.372 1.00 0.00 H new ATOM 609 N ARG A 44 10.263 -0.118 0.543 1.00 0.00 N ATOM 610 CA ARG A 44 10.567 1.228 1.015 1.00 0.00 C ATOM 611 C ARG A 44 11.605 1.897 0.119 1.00 0.00 C ATOM 612 O ARG A 44 12.010 1.340 -0.901 1.00 0.00 O ATOM 613 CB ARG A 44 11.074 1.182 2.457 1.00 0.00 C ATOM 614 CG ARG A 44 12.352 0.373 2.628 1.00 0.00 C ATOM 615 CD ARG A 44 13.408 1.150 3.398 1.00 0.00 C ATOM 616 NE ARG A 44 14.757 0.867 2.915 1.00 0.00 N ATOM 617 CZ ARG A 44 15.809 1.648 3.153 1.00 0.00 C ATOM 618 NH1 ARG A 44 15.672 2.758 3.868 1.00 0.00 N ATOM 619 NH2 ARG A 44 17.001 1.318 2.674 1.00 0.00 N ATOM 0 H ARG A 44 10.811 -0.854 0.988 1.00 0.00 H new ATOM 0 HA ARG A 44 9.650 1.816 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.249 2.200 2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.297 0.757 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.128 -0.556 3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.743 0.099 1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.208 2.218 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.342 0.900 4.457 1.00 0.00 H new ATOM 0 HE ARG A 44 14.902 0.022 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.757 3.016 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.481 3.352 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.112 0.466 2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.807 1.916 2.856 1.00 0.00 H new ATOM 633 N VAL A 45 12.032 3.094 0.508 1.00 0.00 N ATOM 634 CA VAL A 45 13.021 3.839 -0.259 1.00 0.00 C ATOM 635 C VAL A 45 13.931 4.649 0.661 1.00 0.00 C ATOM 636 O VAL A 45 13.471 5.252 1.631 1.00 0.00 O ATOM 637 CB VAL A 45 12.350 4.786 -1.274 1.00 0.00 C ATOM 638 CG1 VAL A 45 11.509 5.834 -0.559 1.00 0.00 C ATOM 639 CG2 VAL A 45 13.392 5.446 -2.165 1.00 0.00 C ATOM 0 H VAL A 45 11.708 3.568 1.351 1.00 0.00 H new ATOM 0 HA VAL A 45 13.619 3.108 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 45 11.689 4.194 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.045 6.491 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.734 5.340 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.145 6.422 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.897 6.110 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 45 14.084 6.022 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.943 4.679 -2.710 1.00 0.00 H new ATOM 649 N ILE A 46 15.224 4.657 0.352 1.00 0.00 N ATOM 650 CA ILE A 46 16.198 5.392 1.149 1.00 0.00 C ATOM 651 C ILE A 46 15.822 6.868 1.254 1.00 0.00 C ATOM 652 O ILE A 46 15.441 7.493 0.264 1.00 0.00 O ATOM 653 CB ILE A 46 17.617 5.270 0.556 1.00 0.00 C ATOM 654 CG1 ILE A 46 18.637 5.958 1.464 1.00 0.00 C ATOM 655 CG2 ILE A 46 17.661 5.860 -0.845 1.00 0.00 C ATOM 656 CD1 ILE A 46 19.962 5.232 1.545 1.00 0.00 C ATOM 0 H ILE A 46 15.621 4.162 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 46 16.192 4.949 2.145 1.00 0.00 H new ATOM 0 HB ILE A 46 17.875 4.213 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 46 18.809 6.971 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 46 18.218 6.045 2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 46 18.669 5.765 -1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.962 5.325 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.384 6.913 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 46 20.636 5.777 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 46 19.803 4.227 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.403 5.168 0.550 1.00 0.00 H new ATOM 668 N ASP A 47 15.932 7.417 2.459 1.00 0.00 N ATOM 669 CA ASP A 47 15.603 8.818 2.693 1.00 0.00 C ATOM 670 C ASP A 47 14.138 9.095 2.367 1.00 0.00 C ATOM 671 O ASP A 47 13.471 8.281 1.728 1.00 0.00 O ATOM 672 CB ASP A 47 16.507 9.724 1.853 1.00 0.00 C ATOM 673 CG ASP A 47 17.704 10.230 2.632 1.00 0.00 C ATOM 674 OD1 ASP A 47 18.512 9.393 3.088 1.00 0.00 O ATOM 675 OD2 ASP A 47 17.834 11.462 2.788 1.00 0.00 O ATOM 0 H ASP A 47 16.246 6.913 3.288 1.00 0.00 H new ATOM 0 HA ASP A 47 15.767 9.033 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.853 9.175 0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.928 10.573 1.489 1.00 0.00 H new ATOM 680 N VAL A 48 13.647 10.247 2.808 1.00 0.00 N ATOM 681 CA VAL A 48 12.262 10.631 2.563 1.00 0.00 C ATOM 682 C VAL A 48 12.124 11.369 1.234 1.00 0.00 C ATOM 683 O VAL A 48 11.594 12.480 1.178 1.00 0.00 O ATOM 684 CB VAL A 48 11.716 11.518 3.701 1.00 0.00 C ATOM 685 CG1 VAL A 48 12.503 12.817 3.795 1.00 0.00 C ATOM 686 CG2 VAL A 48 10.233 11.796 3.498 1.00 0.00 C ATOM 0 H VAL A 48 14.187 10.932 3.337 1.00 0.00 H new ATOM 0 HA VAL A 48 11.677 9.712 2.522 1.00 0.00 H new ATOM 0 HB VAL A 48 11.836 10.981 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.102 13.428 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.551 12.594 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.421 13.361 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.866 12.423 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.086 12.310 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.684 10.854 3.490 1.00 0.00 H new ATOM 696 N GLY A 49 12.607 10.745 0.164 1.00 0.00 N ATOM 697 CA GLY A 49 12.528 11.357 -1.149 1.00 0.00 C ATOM 698 C GLY A 49 11.379 10.814 -1.974 1.00 0.00 C ATOM 699 O GLY A 49 11.189 9.601 -2.064 1.00 0.00 O ATOM 0 H GLY A 49 13.051 9.827 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.413 12.435 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.464 11.189 -1.681 1.00 0.00 H new ATOM 703 N SER A 50 10.609 11.713 -2.578 1.00 0.00 N ATOM 704 CA SER A 50 9.472 11.317 -3.400 1.00 0.00 C ATOM 705 C SER A 50 9.922 10.449 -4.571 1.00 0.00 C ATOM 706 O SER A 50 10.351 10.959 -5.607 1.00 0.00 O ATOM 707 CB SER A 50 8.737 12.554 -3.921 1.00 0.00 C ATOM 708 OG SER A 50 7.336 12.343 -3.943 1.00 0.00 O ATOM 0 H SER A 50 10.752 12.721 -2.514 1.00 0.00 H new ATOM 0 HA SER A 50 8.793 10.733 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.969 13.412 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.088 12.793 -4.925 1.00 0.00 H new ATOM 0 HG SER A 50 6.889 13.148 -4.278 1.00 0.00 H new ATOM 714 N GLU A 51 9.823 9.135 -4.400 1.00 0.00 N ATOM 715 CA GLU A 51 10.220 8.196 -5.442 1.00 0.00 C ATOM 716 C GLU A 51 9.292 6.985 -5.465 1.00 0.00 C ATOM 717 O GLU A 51 9.063 6.347 -4.438 1.00 0.00 O ATOM 718 CB GLU A 51 11.664 7.742 -5.226 1.00 0.00 C ATOM 719 CG GLU A 51 12.693 8.813 -5.551 1.00 0.00 C ATOM 720 CD GLU A 51 14.034 8.551 -4.893 1.00 0.00 C ATOM 721 OE1 GLU A 51 14.065 7.828 -3.875 1.00 0.00 O ATOM 722 OE2 GLU A 51 15.053 9.070 -5.395 1.00 0.00 O ATOM 0 H GLU A 51 9.471 8.696 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 51 10.147 8.706 -6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.788 7.434 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.857 6.865 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.827 8.867 -6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.317 9.783 -5.227 1.00 0.00 H new ATOM 729 N TRP A 52 8.762 6.675 -6.643 1.00 0.00 N ATOM 730 CA TRP A 52 7.858 5.540 -6.801 1.00 0.00 C ATOM 731 C TRP A 52 8.522 4.423 -7.599 1.00 0.00 C ATOM 732 O TRP A 52 9.653 4.565 -8.063 1.00 0.00 O ATOM 733 CB TRP A 52 6.568 5.982 -7.493 1.00 0.00 C ATOM 734 CG TRP A 52 5.548 6.541 -6.549 1.00 0.00 C ATOM 735 CD1 TRP A 52 5.265 7.859 -6.337 1.00 0.00 C ATOM 736 CD2 TRP A 52 4.677 5.798 -5.689 1.00 0.00 C ATOM 737 NE1 TRP A 52 4.269 7.981 -5.397 1.00 0.00 N ATOM 738 CE2 TRP A 52 3.893 6.730 -4.984 1.00 0.00 C ATOM 739 CE3 TRP A 52 4.483 4.435 -5.447 1.00 0.00 C ATOM 740 CZ2 TRP A 52 2.931 6.343 -4.054 1.00 0.00 C ATOM 741 CZ3 TRP A 52 3.528 4.051 -4.523 1.00 0.00 C ATOM 742 CH2 TRP A 52 2.763 5.002 -3.837 1.00 0.00 C ATOM 0 H TRP A 52 8.942 7.193 -7.503 1.00 0.00 H new ATOM 0 HA TRP A 52 7.617 5.158 -5.809 1.00 0.00 H new ATOM 0 HB2 TRP A 52 6.807 6.734 -8.245 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.137 5.131 -8.020 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.752 8.685 -6.834 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.874 8.860 -5.062 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.068 3.695 -5.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.339 7.074 -3.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.370 3.001 -4.328 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.025 4.671 -3.122 1.00 0.00 H new ATOM 753 N ARG A 53 7.810 3.312 -7.754 1.00 0.00 N ATOM 754 CA ARG A 53 8.329 2.169 -8.497 1.00 0.00 C ATOM 755 C ARG A 53 7.578 1.989 -9.812 1.00 0.00 C ATOM 756 O ARG A 53 6.768 2.832 -10.197 1.00 0.00 O ATOM 757 CB ARG A 53 8.224 0.897 -7.652 1.00 0.00 C ATOM 758 CG ARG A 53 9.546 0.462 -7.041 1.00 0.00 C ATOM 759 CD ARG A 53 10.532 0.008 -8.107 1.00 0.00 C ATOM 760 NE ARG A 53 11.877 0.523 -7.862 1.00 0.00 N ATOM 761 CZ ARG A 53 12.829 0.579 -8.791 1.00 0.00 C ATOM 762 NH1 ARG A 53 12.588 0.154 -10.024 1.00 0.00 N ATOM 763 NH2 ARG A 53 14.025 1.063 -8.484 1.00 0.00 N ATOM 0 H ARG A 53 6.872 3.178 -7.375 1.00 0.00 H new ATOM 0 HA ARG A 53 9.378 2.358 -8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.500 1.060 -6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.837 0.089 -8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.976 1.289 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.372 -0.351 -6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.560 -1.081 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.188 0.343 -9.086 1.00 0.00 H new ATOM 0 HE ARG A 53 12.100 0.859 -6.925 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.669 -0.218 -10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.321 0.199 -10.732 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.214 1.392 -7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.755 1.107 -9.195 1.00 0.00 H new ATOM 777 N THR A 54 7.852 0.884 -10.499 1.00 0.00 N ATOM 778 CA THR A 54 7.203 0.592 -11.772 1.00 0.00 C ATOM 779 C THR A 54 7.564 1.639 -12.820 1.00 0.00 C ATOM 780 O THR A 54 7.903 2.775 -12.486 1.00 0.00 O ATOM 781 CB THR A 54 5.685 0.533 -11.595 1.00 0.00 C ATOM 782 OG1 THR A 54 5.348 0.018 -10.318 1.00 0.00 O ATOM 783 CG2 THR A 54 4.994 -0.324 -12.633 1.00 0.00 C ATOM 0 H THR A 54 8.520 0.176 -10.195 1.00 0.00 H new ATOM 0 HA THR A 54 7.559 -0.379 -12.117 1.00 0.00 H new ATOM 0 HB THR A 54 5.341 1.561 -11.709 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.373 -0.010 -10.224 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.920 -0.322 -12.449 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.193 0.077 -13.627 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.371 -1.345 -12.572 1.00 0.00 H new ATOM 791 N PHE A 55 7.491 1.249 -14.088 1.00 0.00 N ATOM 792 CA PHE A 55 7.809 2.154 -15.186 1.00 0.00 C ATOM 793 C PHE A 55 6.540 2.765 -15.773 1.00 0.00 C ATOM 794 O PHE A 55 6.438 2.965 -16.983 1.00 0.00 O ATOM 795 CB PHE A 55 8.584 1.412 -16.276 1.00 0.00 C ATOM 796 CG PHE A 55 9.760 0.638 -15.754 1.00 0.00 C ATOM 797 CD1 PHE A 55 10.721 1.257 -14.970 1.00 0.00 C ATOM 798 CD2 PHE A 55 9.905 -0.709 -16.047 1.00 0.00 C ATOM 799 CE1 PHE A 55 11.805 0.546 -14.488 1.00 0.00 C ATOM 800 CE2 PHE A 55 10.987 -1.424 -15.568 1.00 0.00 C ATOM 801 CZ PHE A 55 11.937 -0.795 -14.788 1.00 0.00 C ATOM 0 H PHE A 55 7.214 0.312 -14.381 1.00 0.00 H new ATOM 0 HA PHE A 55 8.429 2.960 -14.793 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.908 0.728 -16.790 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.933 2.132 -17.017 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.622 2.306 -14.733 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.164 -1.206 -16.656 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.547 1.039 -13.878 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.089 -2.473 -15.804 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.783 -1.352 -14.413 1.00 0.00 H new ATOM 811 N SER A 56 5.578 3.060 -14.906 1.00 0.00 N ATOM 812 CA SER A 56 4.314 3.648 -15.337 1.00 0.00 C ATOM 813 C SER A 56 4.240 5.122 -14.951 1.00 0.00 C ATOM 814 O SER A 56 4.938 5.571 -14.041 1.00 0.00 O ATOM 815 CB SER A 56 3.138 2.887 -14.723 1.00 0.00 C ATOM 816 OG SER A 56 2.073 2.760 -15.648 1.00 0.00 O ATOM 0 H SER A 56 5.649 2.902 -13.901 1.00 0.00 H new ATOM 0 HA SER A 56 4.258 3.573 -16.423 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.467 1.898 -14.405 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.789 3.408 -13.832 1.00 0.00 H new ATOM 0 HG SER A 56 1.335 2.268 -15.231 1.00 0.00 H new ATOM 822 N ASN A 57 3.389 5.869 -15.647 1.00 0.00 N ATOM 823 CA ASN A 57 3.224 7.293 -15.376 1.00 0.00 C ATOM 824 C ASN A 57 1.764 7.709 -15.522 1.00 0.00 C ATOM 825 O ASN A 57 1.305 8.022 -16.620 1.00 0.00 O ATOM 826 CB ASN A 57 4.099 8.117 -16.322 1.00 0.00 C ATOM 827 CG ASN A 57 3.803 7.831 -17.781 1.00 0.00 C ATOM 828 OD1 ASN A 57 3.912 6.692 -18.236 1.00 0.00 O ATOM 829 ND2 ASN A 57 3.428 8.866 -18.523 1.00 0.00 N ATOM 0 H ASN A 57 2.803 5.513 -16.402 1.00 0.00 H new ATOM 0 HA ASN A 57 3.535 7.481 -14.348 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.944 9.178 -16.124 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.149 7.905 -16.119 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.217 8.734 -19.512 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.351 9.793 -18.104 1.00 0.00 H new ATOM 836 N ASP A 58 1.039 7.710 -14.407 1.00 0.00 N ATOM 837 CA ASP A 58 -0.369 8.087 -14.411 1.00 0.00 C ATOM 838 C ASP A 58 -0.528 9.587 -14.644 1.00 0.00 C ATOM 839 O ASP A 58 -0.534 10.376 -13.700 1.00 0.00 O ATOM 840 CB ASP A 58 -1.028 7.688 -13.088 1.00 0.00 C ATOM 841 CG ASP A 58 -2.138 6.672 -13.278 1.00 0.00 C ATOM 842 OD1 ASP A 58 -1.832 5.461 -13.323 1.00 0.00 O ATOM 843 OD2 ASP A 58 -3.311 7.086 -13.381 1.00 0.00 O ATOM 0 H ASP A 58 1.404 7.454 -13.490 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.862 7.558 -15.227 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.273 7.276 -12.419 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.432 8.577 -12.604 1.00 0.00 H new ATOM 848 N LYS A 59 -0.659 9.973 -15.910 1.00 0.00 N ATOM 849 CA LYS A 59 -0.819 11.378 -16.268 1.00 0.00 C ATOM 850 C LYS A 59 -2.235 11.859 -15.966 1.00 0.00 C ATOM 851 O LYS A 59 -3.166 11.059 -15.871 1.00 0.00 O ATOM 852 CB LYS A 59 -0.501 11.588 -17.749 1.00 0.00 C ATOM 853 CG LYS A 59 0.987 11.618 -18.055 1.00 0.00 C ATOM 854 CD LYS A 59 1.286 12.447 -19.293 1.00 0.00 C ATOM 855 CE LYS A 59 1.766 13.842 -18.927 1.00 0.00 C ATOM 856 NZ LYS A 59 0.763 14.580 -18.112 1.00 0.00 N ATOM 857 OXT LYS A 59 -2.483 13.256 -15.791 1.00 0.00 O ATOM 0 H LYS A 59 -0.657 9.333 -16.704 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.121 11.962 -15.668 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.966 10.790 -18.328 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.950 12.525 -18.079 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.526 12.029 -17.202 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.350 10.601 -18.201 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.045 11.946 -19.893 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.390 12.519 -19.909 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.702 13.770 -18.372 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.978 14.403 -19.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.076 15.564 -17.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.156 14.569 -18.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.667 14.124 -17.182 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.439 -15.856 -3.560 1.00 0.00 ZN