USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 134:sc= 0.0291 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 54:sc= 0.123 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.175 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.043) USER MOD Single : A 48 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.12) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.71 K(o=-2.7,f=-0.83) USER MOD Single : A 56 SER OG : rot 180:sc= -0.697 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -55:sc= 0.693 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 143:sc= -0.276 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.606 -15.310 -22.460 1.00 0.00 N ATOM 2 CA ALA A 1 1.285 -15.510 -21.810 1.00 0.00 C ATOM 3 C ALA A 1 1.431 -16.245 -20.481 1.00 0.00 C ATOM 4 O ALA A 1 2.318 -17.084 -20.319 1.00 0.00 O ATOM 5 CB ALA A 1 0.352 -16.277 -22.735 1.00 0.00 C ATOM 0 H1 ALA A 1 2.540 -15.564 -23.466 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.888 -14.313 -22.373 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.316 -15.913 -21.997 1.00 0.00 H new ATOM 0 HA ALA A 1 0.857 -14.528 -21.609 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.612 -16.416 -22.246 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.212 -15.715 -23.659 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.786 -17.250 -22.965 1.00 0.00 H new ATOM 13 N VAL A 2 0.552 -15.929 -19.535 1.00 0.00 N ATOM 14 CA VAL A 2 0.579 -16.564 -18.221 1.00 0.00 C ATOM 15 C VAL A 2 1.851 -16.189 -17.465 1.00 0.00 C ATOM 16 O VAL A 2 2.803 -15.672 -18.049 1.00 0.00 O ATOM 17 CB VAL A 2 0.483 -18.106 -18.335 1.00 0.00 C ATOM 18 CG1 VAL A 2 0.067 -18.729 -17.008 1.00 0.00 C ATOM 19 CG2 VAL A 2 -0.489 -18.510 -19.441 1.00 0.00 C ATOM 0 H VAL A 2 -0.188 -15.237 -19.653 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.288 -16.201 -17.670 1.00 0.00 H new ATOM 0 HB VAL A 2 1.473 -18.482 -18.592 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.008 -19.812 -17.117 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.803 -18.481 -16.243 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.908 -18.340 -16.713 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.539 -19.597 -19.502 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.479 -18.113 -19.218 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.143 -18.109 -20.394 1.00 0.00 H new ATOM 29 N LEU A 3 1.848 -16.428 -16.160 1.00 0.00 N ATOM 30 CA LEU A 3 2.965 -16.103 -15.304 1.00 0.00 C ATOM 31 C LEU A 3 4.173 -16.975 -15.571 1.00 0.00 C ATOM 32 O LEU A 3 4.081 -18.013 -16.227 1.00 0.00 O ATOM 33 CB LEU A 3 2.551 -16.302 -13.840 1.00 0.00 C ATOM 34 CG LEU A 3 2.178 -15.038 -13.075 1.00 0.00 C ATOM 35 CD1 LEU A 3 2.781 -13.840 -13.760 1.00 0.00 C ATOM 36 CD2 LEU A 3 0.666 -14.898 -12.978 1.00 0.00 C ATOM 0 H LEU A 3 1.062 -16.856 -15.670 1.00 0.00 H new ATOM 0 HA LEU A 3 3.238 -15.068 -15.510 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.701 -16.984 -13.813 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.370 -16.793 -13.315 1.00 0.00 H new ATOM 0 HG LEU A 3 2.574 -15.104 -12.061 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.514 -12.936 -13.213 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.866 -13.943 -13.784 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.400 -13.773 -14.779 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.419 -13.990 -12.428 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.241 -14.843 -13.980 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.253 -15.761 -12.456 1.00 0.00 H new ATOM 48 N ASP A 4 5.302 -16.559 -15.008 1.00 0.00 N ATOM 49 CA ASP A 4 6.522 -17.307 -15.127 1.00 0.00 C ATOM 50 C ASP A 4 6.485 -18.422 -14.099 1.00 0.00 C ATOM 51 O ASP A 4 6.248 -19.589 -14.414 1.00 0.00 O ATOM 52 CB ASP A 4 7.754 -16.412 -14.913 1.00 0.00 C ATOM 53 CG ASP A 4 9.021 -17.038 -15.456 1.00 0.00 C ATOM 54 OD1 ASP A 4 9.218 -18.253 -15.249 1.00 0.00 O ATOM 55 OD2 ASP A 4 9.820 -16.312 -16.085 1.00 0.00 O ATOM 0 H ASP A 4 5.385 -15.700 -14.464 1.00 0.00 H new ATOM 0 HA ASP A 4 6.603 -17.718 -16.133 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.590 -15.450 -15.398 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.876 -16.215 -13.848 1.00 0.00 H new ATOM 60 N LEU A 5 6.692 -18.020 -12.860 1.00 0.00 N ATOM 61 CA LEU A 5 6.664 -18.912 -11.718 1.00 0.00 C ATOM 62 C LEU A 5 5.232 -19.288 -11.347 1.00 0.00 C ATOM 63 O LEU A 5 4.740 -20.366 -11.679 1.00 0.00 O ATOM 64 CB LEU A 5 7.387 -18.266 -10.513 1.00 0.00 C ATOM 65 CG LEU A 5 6.795 -16.964 -9.907 1.00 0.00 C ATOM 66 CD1 LEU A 5 5.885 -16.198 -10.885 1.00 0.00 C ATOM 67 CD2 LEU A 5 6.113 -17.263 -8.574 1.00 0.00 C ATOM 0 H LEU A 5 6.887 -17.049 -12.615 1.00 0.00 H new ATOM 0 HA LEU A 5 7.189 -19.827 -11.991 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.436 -19.010 -9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.413 -18.055 -10.816 1.00 0.00 H new ATOM 0 HG LEU A 5 7.626 -16.285 -9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.504 -15.299 -10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.456 -15.918 -11.770 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.049 -16.834 -11.178 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.703 -16.342 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.308 -17.981 -8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.841 -17.680 -7.878 1.00 0.00 H new ATOM 79 N ASP A 6 4.592 -18.381 -10.646 1.00 0.00 N ATOM 80 CA ASP A 6 3.253 -18.523 -10.184 1.00 0.00 C ATOM 81 C ASP A 6 2.625 -17.160 -9.879 1.00 0.00 C ATOM 82 O ASP A 6 1.585 -16.811 -10.434 1.00 0.00 O ATOM 83 CB ASP A 6 3.260 -19.395 -8.940 1.00 0.00 C ATOM 84 CG ASP A 6 2.374 -20.620 -9.073 1.00 0.00 C ATOM 85 OD1 ASP A 6 1.150 -20.451 -9.255 1.00 0.00 O ATOM 86 OD2 ASP A 6 2.906 -21.748 -8.994 1.00 0.00 O ATOM 0 H ASP A 6 5.017 -17.493 -10.378 1.00 0.00 H new ATOM 0 HA ASP A 6 2.651 -18.990 -10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.281 -19.713 -8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.929 -18.804 -8.086 1.00 0.00 H new ATOM 91 N VAL A 7 3.247 -16.405 -8.970 1.00 0.00 N ATOM 92 CA VAL A 7 2.706 -15.092 -8.585 1.00 0.00 C ATOM 93 C VAL A 7 3.619 -13.880 -8.826 1.00 0.00 C ATOM 94 O VAL A 7 3.210 -12.745 -8.575 1.00 0.00 O ATOM 95 CB VAL A 7 2.276 -15.089 -7.108 1.00 0.00 C ATOM 96 CG1 VAL A 7 1.294 -16.219 -6.841 1.00 0.00 C ATOM 97 CG2 VAL A 7 3.487 -15.192 -6.191 1.00 0.00 C ATOM 0 H VAL A 7 4.109 -16.670 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 7 1.858 -14.966 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 7 1.777 -14.144 -6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.999 -16.204 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.412 -16.090 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.767 -17.174 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.158 -15.188 -5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.023 -16.118 -6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.149 -14.343 -6.365 1.00 0.00 H new ATOM 107 N ARG A 8 4.839 -14.098 -9.279 1.00 0.00 N ATOM 108 CA ARG A 8 5.771 -13.022 -9.510 1.00 0.00 C ATOM 109 C ARG A 8 5.548 -12.346 -10.854 1.00 0.00 C ATOM 110 O ARG A 8 4.745 -12.798 -11.670 1.00 0.00 O ATOM 111 CB ARG A 8 7.190 -13.560 -9.421 1.00 0.00 C ATOM 112 CG ARG A 8 7.664 -13.784 -8.003 1.00 0.00 C ATOM 113 CD ARG A 8 8.948 -14.587 -7.977 1.00 0.00 C ATOM 114 NE ARG A 8 9.638 -14.477 -6.696 1.00 0.00 N ATOM 115 CZ ARG A 8 10.620 -13.611 -6.452 1.00 0.00 C ATOM 116 NH1 ARG A 8 11.015 -12.757 -7.388 1.00 0.00 N ATOM 117 NH2 ARG A 8 11.200 -13.589 -5.261 1.00 0.00 N ATOM 0 H ARG A 8 5.207 -15.025 -9.495 1.00 0.00 H new ATOM 0 HA ARG A 8 5.609 -12.265 -8.742 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.248 -14.501 -9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.866 -12.862 -9.915 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.823 -12.823 -7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.893 -14.307 -7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.724 -15.634 -8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.607 -14.242 -8.774 1.00 0.00 H new ATOM 0 HE ARG A 8 9.351 -15.101 -5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.566 -12.760 -8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.768 -12.097 -7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.894 -14.235 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.952 -12.927 -5.072 1.00 0.00 H new ATOM 131 N THR A 9 6.276 -11.259 -11.072 1.00 0.00 N ATOM 132 CA THR A 9 6.193 -10.501 -12.295 1.00 0.00 C ATOM 133 C THR A 9 7.060 -11.136 -13.380 1.00 0.00 C ATOM 134 O THR A 9 7.568 -12.243 -13.210 1.00 0.00 O ATOM 135 CB THR A 9 6.644 -9.066 -12.023 1.00 0.00 C ATOM 136 OG1 THR A 9 7.551 -9.027 -10.930 1.00 0.00 O ATOM 137 CG2 THR A 9 5.498 -8.126 -11.712 1.00 0.00 C ATOM 0 H THR A 9 6.942 -10.883 -10.397 1.00 0.00 H new ATOM 0 HA THR A 9 5.162 -10.498 -12.649 1.00 0.00 H new ATOM 0 HB THR A 9 7.122 -8.730 -12.943 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.290 -9.649 -11.096 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.888 -7.125 -11.529 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.810 -8.099 -12.557 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.970 -8.477 -10.826 1.00 0.00 H new ATOM 145 N CYS A 10 7.235 -10.423 -14.486 1.00 0.00 N ATOM 146 CA CYS A 10 8.056 -10.907 -15.592 1.00 0.00 C ATOM 147 C CYS A 10 8.744 -9.742 -16.291 1.00 0.00 C ATOM 148 O CYS A 10 9.945 -9.786 -16.550 1.00 0.00 O ATOM 149 CB CYS A 10 7.218 -11.701 -16.595 1.00 0.00 C ATOM 150 SG CYS A 10 6.386 -13.153 -15.875 1.00 0.00 S ATOM 0 H CYS A 10 6.819 -9.505 -14.642 1.00 0.00 H new ATOM 0 HA CYS A 10 8.815 -11.572 -15.180 1.00 0.00 H new ATOM 0 HB2 CYS A 10 6.466 -11.041 -17.028 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.861 -12.030 -17.411 1.00 0.00 H new ATOM 155 N LEU A 11 7.980 -8.690 -16.584 1.00 0.00 N ATOM 156 CA LEU A 11 8.539 -7.511 -17.238 1.00 0.00 C ATOM 157 C LEU A 11 8.177 -6.239 -16.471 1.00 0.00 C ATOM 158 O LEU A 11 7.144 -5.607 -16.733 1.00 0.00 O ATOM 159 CB LEU A 11 8.028 -7.414 -18.678 1.00 0.00 C ATOM 160 CG LEU A 11 9.039 -6.874 -19.691 1.00 0.00 C ATOM 161 CD1 LEU A 11 10.177 -7.866 -19.895 1.00 0.00 C ATOM 162 CD2 LEU A 11 8.353 -6.565 -21.015 1.00 0.00 C ATOM 0 H LEU A 11 6.982 -8.631 -16.381 1.00 0.00 H new ATOM 0 HA LEU A 11 9.624 -7.611 -17.249 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.708 -8.405 -19.001 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.146 -6.774 -18.692 1.00 0.00 H new ATOM 0 HG LEU A 11 9.460 -5.949 -19.297 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.885 -7.463 -20.619 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.685 -8.037 -18.946 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.776 -8.809 -20.266 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.087 -6.182 -21.724 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.904 -7.475 -21.413 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.576 -5.817 -20.856 1.00 0.00 H new ATOM 174 N PRO A 12 9.035 -5.841 -15.512 1.00 0.00 N ATOM 175 CA PRO A 12 8.819 -4.649 -14.713 1.00 0.00 C ATOM 176 C PRO A 12 9.233 -3.377 -15.432 1.00 0.00 C ATOM 177 O PRO A 12 9.751 -3.411 -16.548 1.00 0.00 O ATOM 178 CB PRO A 12 9.724 -4.828 -13.498 1.00 0.00 C ATOM 179 CG PRO A 12 10.443 -6.113 -13.683 1.00 0.00 C ATOM 180 CD PRO A 12 10.272 -6.521 -15.124 1.00 0.00 C ATOM 0 HA PRO A 12 7.760 -4.543 -14.476 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.428 -4.000 -13.415 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.138 -4.842 -12.579 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.499 -6.001 -13.439 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.041 -6.877 -13.017 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.116 -6.204 -15.736 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.189 -7.603 -15.230 1.00 0.00 H new ATOM 188 N CYS A 13 8.986 -2.255 -14.778 1.00 0.00 N ATOM 189 CA CYS A 13 9.303 -0.970 -15.337 1.00 0.00 C ATOM 190 C CYS A 13 9.811 -0.003 -14.274 1.00 0.00 C ATOM 191 O CYS A 13 10.175 -0.406 -13.170 1.00 0.00 O ATOM 192 CB CYS A 13 8.069 -0.415 -16.037 1.00 0.00 C ATOM 193 SG CYS A 13 8.416 0.816 -17.322 1.00 0.00 S ATOM 0 H CYS A 13 8.563 -2.218 -13.851 1.00 0.00 H new ATOM 0 HA CYS A 13 10.109 -1.091 -16.061 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.519 -1.243 -16.485 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.415 0.034 -15.289 1.00 0.00 H new ATOM 198 N GLY A 14 9.813 1.275 -14.618 1.00 0.00 N ATOM 199 CA GLY A 14 10.254 2.287 -13.695 1.00 0.00 C ATOM 200 C GLY A 14 11.663 2.067 -13.198 1.00 0.00 C ATOM 201 O GLY A 14 12.554 1.675 -13.952 1.00 0.00 O ATOM 0 H GLY A 14 9.514 1.627 -15.528 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.195 3.262 -14.179 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.575 2.313 -12.843 1.00 0.00 H new ATOM 205 N PRO A 15 11.880 2.353 -11.918 1.00 0.00 N ATOM 206 CA PRO A 15 13.181 2.233 -11.267 1.00 0.00 C ATOM 207 C PRO A 15 13.476 0.818 -10.763 1.00 0.00 C ATOM 208 O PRO A 15 13.034 0.425 -9.682 1.00 0.00 O ATOM 209 CB PRO A 15 13.015 3.218 -10.113 1.00 0.00 C ATOM 210 CG PRO A 15 11.600 3.047 -9.707 1.00 0.00 C ATOM 211 CD PRO A 15 10.851 2.863 -10.996 1.00 0.00 C ATOM 0 HA PRO A 15 14.020 2.438 -11.932 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.697 2.993 -9.293 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.221 4.241 -10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.478 2.184 -9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.238 3.917 -9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.026 2.159 -10.885 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.424 3.801 -11.350 1.00 0.00 H new ATOM 219 N GLY A 16 14.231 0.058 -11.561 1.00 0.00 N ATOM 220 CA GLY A 16 14.583 -1.310 -11.194 1.00 0.00 C ATOM 221 C GLY A 16 13.590 -2.322 -11.731 1.00 0.00 C ATOM 222 O GLY A 16 13.886 -3.066 -12.667 1.00 0.00 O ATOM 0 H GLY A 16 14.606 0.367 -12.458 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.577 -1.542 -11.575 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.631 -1.392 -10.108 1.00 0.00 H new ATOM 226 N GLY A 17 12.396 -2.313 -11.156 1.00 0.00 N ATOM 227 CA GLY A 17 11.338 -3.192 -11.590 1.00 0.00 C ATOM 228 C GLY A 17 10.029 -2.897 -10.901 1.00 0.00 C ATOM 229 O GLY A 17 9.214 -3.787 -10.655 1.00 0.00 O ATOM 0 H GLY A 17 12.142 -1.699 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.208 -3.096 -12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.624 -4.225 -11.394 1.00 0.00 H new ATOM 233 N LYS A 18 9.872 -1.638 -10.549 1.00 0.00 N ATOM 234 CA LYS A 18 8.719 -1.174 -9.839 1.00 0.00 C ATOM 235 C LYS A 18 7.495 -1.324 -10.694 1.00 0.00 C ATOM 236 O LYS A 18 6.546 -2.020 -10.329 1.00 0.00 O ATOM 237 CB LYS A 18 8.927 0.292 -9.484 1.00 0.00 C ATOM 238 CG LYS A 18 9.255 0.562 -8.033 1.00 0.00 C ATOM 239 CD LYS A 18 10.114 -0.531 -7.467 1.00 0.00 C ATOM 240 CE LYS A 18 10.477 -0.258 -6.033 1.00 0.00 C ATOM 241 NZ LYS A 18 11.773 -0.881 -5.649 1.00 0.00 N ATOM 0 H LYS A 18 10.554 -0.908 -10.754 1.00 0.00 H new ATOM 0 HA LYS A 18 8.581 -1.761 -8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.733 0.688 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.024 0.844 -9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.770 1.518 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.334 0.642 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.587 -1.482 -7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.022 -0.627 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.533 0.819 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.688 -0.636 -5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.980 -0.665 -4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.714 -1.912 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.532 -0.502 -6.250 1.00 0.00 H new ATOM 255 N GLY A 19 7.507 -0.658 -11.818 1.00 0.00 N ATOM 256 CA GLY A 19 6.381 -0.714 -12.698 1.00 0.00 C ATOM 257 C GLY A 19 6.317 -1.944 -13.593 1.00 0.00 C ATOM 258 O GLY A 19 6.904 -2.988 -13.315 1.00 0.00 O ATOM 0 H GLY A 19 8.280 -0.076 -12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.471 -0.672 -12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.389 0.175 -13.329 1.00 0.00 H new ATOM 262 N ARG A 20 5.562 -1.761 -14.670 1.00 0.00 N ATOM 263 CA ARG A 20 5.309 -2.745 -15.654 1.00 0.00 C ATOM 264 C ARG A 20 4.992 -2.163 -17.001 1.00 0.00 C ATOM 265 O ARG A 20 4.569 -1.019 -17.127 1.00 0.00 O ATOM 266 CB ARG A 20 4.133 -3.533 -15.186 1.00 0.00 C ATOM 267 CG ARG A 20 4.598 -4.579 -14.259 1.00 0.00 C ATOM 268 CD ARG A 20 3.919 -4.480 -12.903 1.00 0.00 C ATOM 269 NE ARG A 20 2.477 -4.690 -13.007 1.00 0.00 N ATOM 270 CZ ARG A 20 1.845 -5.784 -12.587 1.00 0.00 C ATOM 271 NH1 ARG A 20 2.512 -6.770 -12.001 1.00 0.00 N ATOM 272 NH2 ARG A 20 0.535 -5.892 -12.749 1.00 0.00 N ATOM 0 H ARG A 20 5.100 -0.874 -14.868 1.00 0.00 H new ATOM 0 HA ARG A 20 6.206 -3.351 -15.777 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.416 -2.880 -14.689 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.619 -3.983 -16.035 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.402 -5.560 -14.692 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.677 -4.496 -14.131 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.347 -5.220 -12.226 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.114 -3.500 -12.468 1.00 0.00 H new ATOM 0 HE ARG A 20 1.917 -3.949 -13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.520 -6.695 -11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.016 -7.603 -11.684 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.012 -5.138 -13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.049 -6.729 -12.428 1.00 0.00 H new ATOM 286 N CYS A 21 5.151 -3.007 -17.991 1.00 0.00 N ATOM 287 CA CYS A 21 4.837 -2.639 -19.373 1.00 0.00 C ATOM 288 C CYS A 21 3.483 -3.214 -19.753 1.00 0.00 C ATOM 289 O CYS A 21 3.230 -4.400 -19.541 1.00 0.00 O ATOM 290 CB CYS A 21 5.906 -3.141 -20.326 1.00 0.00 C ATOM 291 SG CYS A 21 6.894 -1.815 -21.095 1.00 0.00 S ATOM 0 H CYS A 21 5.497 -3.960 -17.877 1.00 0.00 H new ATOM 0 HA CYS A 21 4.806 -1.552 -19.447 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.574 -3.812 -19.786 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.431 -3.729 -21.112 1.00 0.00 H new ATOM 296 N PHE A 22 2.591 -2.373 -20.273 1.00 0.00 N ATOM 297 CA PHE A 22 1.250 -2.826 -20.618 1.00 0.00 C ATOM 298 C PHE A 22 1.031 -2.950 -22.127 1.00 0.00 C ATOM 299 O PHE A 22 -0.099 -3.116 -22.588 1.00 0.00 O ATOM 300 CB PHE A 22 0.224 -1.903 -19.964 1.00 0.00 C ATOM 301 CG PHE A 22 0.166 -2.110 -18.481 1.00 0.00 C ATOM 302 CD1 PHE A 22 1.317 -2.001 -17.712 1.00 0.00 C ATOM 303 CD2 PHE A 22 -1.026 -2.426 -17.855 1.00 0.00 C ATOM 304 CE1 PHE A 22 1.274 -2.205 -16.348 1.00 0.00 C ATOM 305 CE2 PHE A 22 -1.071 -2.629 -16.489 1.00 0.00 C ATOM 306 CZ PHE A 22 0.079 -2.518 -15.736 1.00 0.00 C ATOM 0 H PHE A 22 2.771 -1.387 -20.462 1.00 0.00 H new ATOM 0 HA PHE A 22 1.122 -3.836 -20.229 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.478 -0.865 -20.178 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.760 -2.086 -20.397 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.255 -1.754 -18.186 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.930 -2.515 -18.439 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.176 -2.120 -15.760 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.008 -2.875 -16.011 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.043 -2.676 -14.668 1.00 0.00 H new ATOM 316 N GLY A 23 2.128 -2.957 -22.882 1.00 0.00 N ATOM 317 CA GLY A 23 2.014 -3.165 -24.318 1.00 0.00 C ATOM 318 C GLY A 23 2.596 -2.100 -25.236 1.00 0.00 C ATOM 319 O GLY A 23 3.636 -2.329 -25.852 1.00 0.00 O ATOM 0 H GLY A 23 3.078 -2.825 -22.534 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.494 -4.114 -24.558 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.956 -3.273 -24.558 1.00 0.00 H new ATOM 323 N PRO A 24 1.907 -0.960 -25.438 1.00 0.00 N ATOM 324 CA PRO A 24 2.345 0.059 -26.384 1.00 0.00 C ATOM 325 C PRO A 24 3.041 1.251 -25.756 1.00 0.00 C ATOM 326 O PRO A 24 2.386 2.137 -25.207 1.00 0.00 O ATOM 327 CB PRO A 24 1.010 0.474 -26.983 1.00 0.00 C ATOM 328 CG PRO A 24 0.034 0.379 -25.851 1.00 0.00 C ATOM 329 CD PRO A 24 0.602 -0.598 -24.848 1.00 0.00 C ATOM 0 HA PRO A 24 3.094 -0.316 -27.081 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.054 1.487 -27.383 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.725 -0.181 -27.806 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.118 1.356 -25.392 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.938 0.040 -26.209 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.716 -0.145 -23.863 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.041 -1.470 -24.725 1.00 0.00 H new ATOM 337 N SER A 25 4.377 1.278 -25.844 1.00 0.00 N ATOM 338 CA SER A 25 5.158 2.380 -25.279 1.00 0.00 C ATOM 339 C SER A 25 4.626 2.749 -23.913 1.00 0.00 C ATOM 340 O SER A 25 4.772 3.881 -23.470 1.00 0.00 O ATOM 341 CB SER A 25 5.058 3.614 -26.176 1.00 0.00 C ATOM 342 OG SER A 25 6.274 4.340 -26.182 1.00 0.00 O ATOM 0 H SER A 25 4.934 0.554 -26.298 1.00 0.00 H new ATOM 0 HA SER A 25 6.195 2.054 -25.204 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.808 3.309 -27.192 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.249 4.256 -25.827 1.00 0.00 H new ATOM 0 HG SER A 25 6.184 5.123 -26.764 1.00 0.00 H new ATOM 348 N ILE A 26 3.957 1.812 -23.272 1.00 0.00 N ATOM 349 CA ILE A 26 3.348 2.090 -22.004 1.00 0.00 C ATOM 350 C ILE A 26 3.987 1.337 -20.858 1.00 0.00 C ATOM 351 O ILE A 26 4.594 0.279 -21.025 1.00 0.00 O ATOM 352 CB ILE A 26 1.852 1.776 -22.063 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.059 2.800 -21.284 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.577 0.395 -21.521 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.399 2.810 -21.697 1.00 0.00 C ATOM 0 H ILE A 26 3.826 0.859 -23.612 1.00 0.00 H new ATOM 0 HA ILE A 26 3.503 3.151 -21.808 1.00 0.00 H new ATOM 0 HB ILE A 26 1.542 1.813 -23.107 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.134 2.585 -20.218 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.489 3.789 -21.441 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.508 0.191 -21.572 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.116 -0.343 -22.115 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.909 0.338 -20.484 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.937 3.559 -21.115 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.475 3.051 -22.757 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.835 1.828 -21.516 1.00 0.00 H new ATOM 367 N CYS A 27 3.825 1.922 -19.693 1.00 0.00 N ATOM 368 CA CYS A 27 4.343 1.396 -18.472 1.00 0.00 C ATOM 369 C CYS A 27 3.556 1.976 -17.313 1.00 0.00 C ATOM 370 O CYS A 27 3.234 3.161 -17.321 1.00 0.00 O ATOM 371 CB CYS A 27 5.787 1.796 -18.364 1.00 0.00 C ATOM 372 SG CYS A 27 6.963 0.452 -18.674 1.00 0.00 S ATOM 0 H CYS A 27 3.315 2.798 -19.576 1.00 0.00 H new ATOM 0 HA CYS A 27 4.258 0.309 -18.451 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.982 2.603 -19.071 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.967 2.196 -17.366 1.00 0.00 H new ATOM 377 N CYS A 28 3.224 1.167 -16.331 1.00 0.00 N ATOM 378 CA CYS A 28 2.470 1.637 -15.231 1.00 0.00 C ATOM 379 C CYS A 28 2.916 0.960 -13.953 1.00 0.00 C ATOM 380 O CYS A 28 2.763 -0.252 -13.797 1.00 0.00 O ATOM 381 CB CYS A 28 1.030 1.377 -15.535 1.00 0.00 C ATOM 382 SG CYS A 28 0.312 2.589 -16.694 1.00 0.00 S ATOM 0 H CYS A 28 3.474 0.179 -16.288 1.00 0.00 H new ATOM 0 HA CYS A 28 2.622 2.705 -15.078 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.929 0.377 -15.956 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.461 1.391 -14.606 1.00 0.00 H new ATOM 387 N GLY A 29 3.483 1.733 -13.043 1.00 0.00 N ATOM 388 CA GLY A 29 3.937 1.175 -11.820 1.00 0.00 C ATOM 389 C GLY A 29 2.884 1.264 -10.727 1.00 0.00 C ATOM 390 O GLY A 29 1.961 2.073 -10.822 1.00 0.00 O ATOM 0 H GLY A 29 3.631 2.737 -13.143 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.209 0.131 -11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.839 1.695 -11.497 1.00 0.00 H new ATOM 394 N ASP A 30 3.013 0.457 -9.681 1.00 0.00 N ATOM 395 CA ASP A 30 2.057 0.495 -8.591 1.00 0.00 C ATOM 396 C ASP A 30 2.308 1.762 -7.789 1.00 0.00 C ATOM 397 O ASP A 30 1.575 2.744 -7.900 1.00 0.00 O ATOM 398 CB ASP A 30 2.209 -0.745 -7.703 1.00 0.00 C ATOM 399 CG ASP A 30 1.037 -1.699 -7.830 1.00 0.00 C ATOM 400 OD1 ASP A 30 1.039 -2.518 -8.773 1.00 0.00 O ATOM 401 OD2 ASP A 30 0.119 -1.627 -6.987 1.00 0.00 O ATOM 0 H ASP A 30 3.764 -0.224 -9.568 1.00 0.00 H new ATOM 0 HA ASP A 30 1.040 0.497 -8.982 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.128 -1.267 -7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.308 -0.433 -6.663 1.00 0.00 H new ATOM 406 N GLU A 31 3.403 1.749 -7.048 1.00 0.00 N ATOM 407 CA GLU A 31 3.848 2.895 -6.286 1.00 0.00 C ATOM 408 C GLU A 31 4.508 3.893 -7.234 1.00 0.00 C ATOM 409 O GLU A 31 5.069 4.907 -6.819 1.00 0.00 O ATOM 410 CB GLU A 31 4.897 2.439 -5.280 1.00 0.00 C ATOM 411 CG GLU A 31 6.122 1.807 -5.950 1.00 0.00 C ATOM 412 CD GLU A 31 7.429 2.356 -5.412 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.735 3.536 -5.685 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.148 1.605 -4.719 1.00 0.00 O ATOM 0 H GLU A 31 4.011 0.934 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 31 2.999 3.352 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.215 3.292 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.449 1.718 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.097 0.728 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.074 1.981 -7.025 1.00 0.00 H new ATOM 421 N LEU A 32 4.526 3.502 -8.499 1.00 0.00 N ATOM 422 CA LEU A 32 5.204 4.222 -9.551 1.00 0.00 C ATOM 423 C LEU A 32 4.267 4.953 -10.525 1.00 0.00 C ATOM 424 O LEU A 32 4.729 5.703 -11.383 1.00 0.00 O ATOM 425 CB LEU A 32 6.005 3.153 -10.250 1.00 0.00 C ATOM 426 CG LEU A 32 7.285 3.513 -10.962 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.265 2.797 -12.284 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.487 5.010 -11.155 1.00 0.00 C ATOM 0 H LEU A 32 4.058 2.656 -8.824 1.00 0.00 H new ATOM 0 HA LEU A 32 5.810 5.031 -9.143 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.250 2.394 -9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.348 2.683 -10.982 1.00 0.00 H new ATOM 0 HG LEU A 32 8.128 3.203 -10.345 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.175 3.028 -12.837 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.207 1.722 -12.115 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.398 3.121 -12.860 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.429 5.186 -11.674 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.666 5.415 -11.746 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.511 5.502 -10.183 1.00 0.00 H new ATOM 440 N GLY A 33 2.962 4.779 -10.364 1.00 0.00 N ATOM 441 CA GLY A 33 2.014 5.478 -11.217 1.00 0.00 C ATOM 442 C GLY A 33 1.729 4.792 -12.535 1.00 0.00 C ATOM 443 O GLY A 33 1.864 3.579 -12.661 1.00 0.00 O ATOM 0 H GLY A 33 2.542 4.170 -9.662 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.076 5.598 -10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.396 6.479 -11.418 1.00 0.00 H new ATOM 447 N CYS A 34 1.321 5.582 -13.523 1.00 0.00 N ATOM 448 CA CYS A 34 0.990 5.066 -14.848 1.00 0.00 C ATOM 449 C CYS A 34 1.564 5.965 -15.946 1.00 0.00 C ATOM 450 O CYS A 34 1.094 7.083 -16.146 1.00 0.00 O ATOM 451 CB CYS A 34 -0.530 5.005 -14.999 1.00 0.00 C ATOM 452 SG CYS A 34 -1.202 3.445 -15.657 1.00 0.00 S ATOM 0 H CYS A 34 1.211 6.592 -13.430 1.00 0.00 H new ATOM 0 HA CYS A 34 1.424 4.071 -14.949 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.980 5.189 -14.024 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.844 5.818 -15.654 1.00 0.00 H new ATOM 457 N PHE A 35 2.579 5.473 -16.654 1.00 0.00 N ATOM 458 CA PHE A 35 3.217 6.244 -17.731 1.00 0.00 C ATOM 459 C PHE A 35 2.870 5.690 -19.109 1.00 0.00 C ATOM 460 O PHE A 35 2.601 4.498 -19.263 1.00 0.00 O ATOM 461 CB PHE A 35 4.742 6.220 -17.589 1.00 0.00 C ATOM 462 CG PHE A 35 5.239 6.379 -16.185 1.00 0.00 C ATOM 463 CD1 PHE A 35 5.036 5.379 -15.250 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.915 7.526 -15.801 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.494 5.517 -13.959 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.377 7.669 -14.506 1.00 0.00 C ATOM 467 CZ PHE A 35 6.165 6.663 -13.586 1.00 0.00 C ATOM 0 H PHE A 35 2.980 4.547 -16.505 1.00 0.00 H new ATOM 0 HA PHE A 35 2.840 7.263 -17.643 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.116 5.278 -17.989 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.164 7.016 -18.202 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.512 4.479 -15.537 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.082 8.315 -16.519 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.328 4.729 -13.239 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.903 8.566 -14.215 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.524 6.773 -12.574 1.00 0.00 H new ATOM 477 N VAL A 36 2.928 6.557 -20.115 1.00 0.00 N ATOM 478 CA VAL A 36 2.679 6.159 -21.494 1.00 0.00 C ATOM 479 C VAL A 36 3.632 6.891 -22.419 1.00 0.00 C ATOM 480 O VAL A 36 3.524 8.100 -22.626 1.00 0.00 O ATOM 481 CB VAL A 36 1.238 6.418 -21.965 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.935 5.586 -23.208 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.244 6.120 -20.856 1.00 0.00 C ATOM 0 H VAL A 36 3.147 7.546 -19.998 1.00 0.00 H new ATOM 0 HA VAL A 36 2.839 5.081 -21.529 1.00 0.00 H new ATOM 0 HB VAL A 36 1.141 7.473 -22.222 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.088 5.777 -23.533 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.626 5.858 -24.006 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.050 4.528 -22.974 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.768 6.311 -21.213 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.333 5.075 -20.559 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.453 6.760 -19.999 1.00 0.00 H new ATOM 493 N GLY A 37 4.566 6.143 -22.965 1.00 0.00 N ATOM 494 CA GLY A 37 5.554 6.716 -23.869 1.00 0.00 C ATOM 495 C GLY A 37 6.505 7.680 -23.170 1.00 0.00 C ATOM 496 O GLY A 37 7.084 8.560 -23.806 1.00 0.00 O ATOM 0 H GLY A 37 4.667 5.141 -22.803 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.130 5.912 -24.327 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.041 7.240 -24.676 1.00 0.00 H new ATOM 500 N THR A 38 6.665 7.510 -21.860 1.00 0.00 N ATOM 501 CA THR A 38 7.551 8.362 -21.065 1.00 0.00 C ATOM 502 C THR A 38 8.807 7.584 -20.678 1.00 0.00 C ATOM 503 O THR A 38 8.796 6.358 -20.705 1.00 0.00 O ATOM 504 CB THR A 38 6.816 8.830 -19.799 1.00 0.00 C ATOM 505 OG1 THR A 38 5.522 9.311 -20.123 1.00 0.00 O ATOM 506 CG2 THR A 38 7.529 9.924 -19.028 1.00 0.00 C ATOM 0 H THR A 38 6.190 6.785 -21.322 1.00 0.00 H new ATOM 0 HA THR A 38 7.840 9.232 -21.655 1.00 0.00 H new ATOM 0 HB THR A 38 6.774 7.946 -19.163 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.067 9.603 -19.305 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.941 10.193 -18.151 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.509 9.567 -18.712 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.650 10.799 -19.666 1.00 0.00 H new ATOM 514 N ALA A 39 9.880 8.290 -20.301 1.00 0.00 N ATOM 515 CA ALA A 39 11.122 7.627 -19.885 1.00 0.00 C ATOM 516 C ALA A 39 10.789 6.427 -19.006 1.00 0.00 C ATOM 517 O ALA A 39 11.184 5.298 -19.284 1.00 0.00 O ATOM 518 CB ALA A 39 12.018 8.606 -19.142 1.00 0.00 C ATOM 0 H ALA A 39 9.914 9.309 -20.275 1.00 0.00 H new ATOM 0 HA ALA A 39 11.659 7.279 -20.768 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.936 8.102 -18.839 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.263 9.443 -19.796 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.498 8.976 -18.258 1.00 0.00 H new ATOM 524 N GLU A 40 10.016 6.690 -17.967 1.00 0.00 N ATOM 525 CA GLU A 40 9.552 5.662 -17.044 1.00 0.00 C ATOM 526 C GLU A 40 8.717 4.598 -17.771 1.00 0.00 C ATOM 527 O GLU A 40 8.044 3.788 -17.132 1.00 0.00 O ATOM 528 CB GLU A 40 8.736 6.294 -15.922 1.00 0.00 C ATOM 529 CG GLU A 40 9.437 6.259 -14.576 1.00 0.00 C ATOM 530 CD GLU A 40 10.522 7.311 -14.457 1.00 0.00 C ATOM 531 OE1 GLU A 40 11.652 7.054 -14.924 1.00 0.00 O ATOM 532 OE2 GLU A 40 10.241 8.392 -13.900 1.00 0.00 O ATOM 0 H GLU A 40 9.689 7.628 -17.736 1.00 0.00 H new ATOM 0 HA GLU A 40 10.427 5.171 -16.618 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.515 7.329 -16.182 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.781 5.775 -15.840 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.703 6.408 -13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.874 5.272 -14.424 1.00 0.00 H new ATOM 539 N ALA A 41 8.729 4.630 -19.106 1.00 0.00 N ATOM 540 CA ALA A 41 7.951 3.699 -19.910 1.00 0.00 C ATOM 541 C ALA A 41 8.721 3.155 -21.110 1.00 0.00 C ATOM 542 O ALA A 41 8.186 2.394 -21.922 1.00 0.00 O ATOM 543 CB ALA A 41 6.744 4.417 -20.416 1.00 0.00 C ATOM 0 H ALA A 41 9.275 5.298 -19.651 1.00 0.00 H new ATOM 0 HA ALA A 41 7.695 2.851 -19.274 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.144 3.738 -21.022 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.151 4.770 -19.573 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.054 5.268 -21.023 1.00 0.00 H new ATOM 549 N LEU A 42 9.983 3.499 -21.185 1.00 0.00 N ATOM 550 CA LEU A 42 10.856 3.020 -22.238 1.00 0.00 C ATOM 551 C LEU A 42 11.132 1.522 -22.094 1.00 0.00 C ATOM 552 O LEU A 42 11.691 0.891 -22.992 1.00 0.00 O ATOM 553 CB LEU A 42 12.179 3.799 -22.217 1.00 0.00 C ATOM 554 CG LEU A 42 12.912 3.888 -20.860 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.297 2.973 -19.800 1.00 0.00 C ATOM 556 CD2 LEU A 42 14.389 3.566 -21.036 1.00 0.00 C ATOM 0 H LEU A 42 10.439 4.121 -20.517 1.00 0.00 H new ATOM 0 HA LEU A 42 10.353 3.181 -23.192 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.855 3.341 -22.939 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.982 4.813 -22.564 1.00 0.00 H new ATOM 0 HG LEU A 42 12.801 4.912 -20.505 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.850 3.075 -18.866 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.256 3.253 -19.637 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.346 1.938 -20.140 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.893 3.633 -20.072 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.497 2.557 -21.433 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.837 4.278 -21.729 1.00 0.00 H new ATOM 568 N ARG A 43 10.754 0.967 -20.947 1.00 0.00 N ATOM 569 CA ARG A 43 10.972 -0.440 -20.653 1.00 0.00 C ATOM 570 C ARG A 43 10.329 -1.367 -21.670 1.00 0.00 C ATOM 571 O ARG A 43 10.604 -2.562 -21.679 1.00 0.00 O ATOM 572 CB ARG A 43 10.433 -0.758 -19.275 1.00 0.00 C ATOM 573 CG ARG A 43 11.447 -1.445 -18.381 1.00 0.00 C ATOM 574 CD ARG A 43 12.617 -0.523 -18.087 1.00 0.00 C ATOM 575 NE ARG A 43 13.150 -0.719 -16.741 1.00 0.00 N ATOM 576 CZ ARG A 43 14.396 -1.116 -16.482 1.00 0.00 C ATOM 577 NH1 ARG A 43 15.241 -1.386 -17.470 1.00 0.00 N ATOM 578 NH2 ARG A 43 14.796 -1.247 -15.226 1.00 0.00 N ATOM 0 H ARG A 43 10.289 1.481 -20.198 1.00 0.00 H new ATOM 0 HA ARG A 43 12.048 -0.611 -20.698 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.105 0.166 -18.798 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.554 -1.395 -19.374 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.971 -1.746 -17.448 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.807 -2.354 -18.863 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.407 -0.697 -18.818 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.299 0.513 -18.203 1.00 0.00 H new ATOM 0 HE ARG A 43 12.530 -0.541 -15.950 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.939 -1.290 -18.440 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.192 -1.689 -17.259 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.152 -1.044 -14.462 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.748 -1.551 -15.023 1.00 0.00 H new ATOM 592 N CYS A 44 9.465 -0.839 -22.515 1.00 0.00 N ATOM 593 CA CYS A 44 8.812 -1.684 -23.503 1.00 0.00 C ATOM 594 C CYS A 44 9.742 -2.023 -24.661 1.00 0.00 C ATOM 595 O CYS A 44 9.521 -2.999 -25.377 1.00 0.00 O ATOM 596 CB CYS A 44 7.510 -1.069 -23.969 1.00 0.00 C ATOM 597 SG CYS A 44 6.082 -1.562 -22.945 1.00 0.00 S ATOM 0 H CYS A 44 9.201 0.146 -22.541 1.00 0.00 H new ATOM 0 HA CYS A 44 8.566 -2.630 -23.022 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.602 0.017 -23.955 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.326 -1.360 -25.003 1.00 0.00 H new ATOM 602 N GLN A 45 10.816 -1.257 -24.802 1.00 0.00 N ATOM 603 CA GLN A 45 11.811 -1.527 -25.820 1.00 0.00 C ATOM 604 C GLN A 45 12.452 -2.874 -25.491 1.00 0.00 C ATOM 605 O GLN A 45 12.897 -3.625 -26.360 1.00 0.00 O ATOM 606 CB GLN A 45 12.859 -0.420 -25.820 1.00 0.00 C ATOM 607 CG GLN A 45 12.650 0.622 -26.905 1.00 0.00 C ATOM 608 CD GLN A 45 11.938 1.859 -26.393 1.00 0.00 C ATOM 609 OE1 GLN A 45 10.917 2.274 -26.942 1.00 0.00 O ATOM 610 NE2 GLN A 45 12.474 2.456 -25.334 1.00 0.00 N ATOM 0 H GLN A 45 11.017 -0.443 -24.221 1.00 0.00 H new ATOM 0 HA GLN A 45 11.357 -1.560 -26.811 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.852 0.074 -24.848 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.846 -0.867 -25.943 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.616 0.909 -27.320 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.071 0.184 -27.718 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.321 2.078 -24.910 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.038 3.292 -24.945 1.00 0.00 H new ATOM 619 N GLU A 46 12.457 -3.139 -24.190 1.00 0.00 N ATOM 620 CA GLU A 46 12.989 -4.353 -23.636 1.00 0.00 C ATOM 621 C GLU A 46 12.166 -5.535 -24.135 1.00 0.00 C ATOM 622 O GLU A 46 12.686 -6.631 -24.345 1.00 0.00 O ATOM 623 CB GLU A 46 12.913 -4.260 -22.125 1.00 0.00 C ATOM 624 CG GLU A 46 14.149 -3.651 -21.500 1.00 0.00 C ATOM 625 CD GLU A 46 14.190 -3.824 -19.996 1.00 0.00 C ATOM 626 OE1 GLU A 46 14.465 -4.952 -19.535 1.00 0.00 O ATOM 627 OE2 GLU A 46 13.944 -2.833 -19.278 1.00 0.00 O ATOM 0 H GLU A 46 12.083 -2.499 -23.489 1.00 0.00 H new ATOM 0 HA GLU A 46 14.025 -4.494 -23.942 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.043 -3.664 -21.848 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.760 -5.258 -21.714 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.036 -4.109 -21.938 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.187 -2.589 -21.740 1.00 0.00 H new ATOM 634 N GLU A 47 10.883 -5.282 -24.365 1.00 0.00 N ATOM 635 CA GLU A 47 9.979 -6.304 -24.875 1.00 0.00 C ATOM 636 C GLU A 47 10.097 -6.416 -26.395 1.00 0.00 C ATOM 637 O GLU A 47 9.472 -7.275 -27.015 1.00 0.00 O ATOM 638 CB GLU A 47 8.538 -5.960 -24.492 1.00 0.00 C ATOM 639 CG GLU A 47 7.589 -7.145 -24.538 1.00 0.00 C ATOM 640 CD GLU A 47 6.138 -6.729 -24.387 1.00 0.00 C ATOM 641 OE1 GLU A 47 5.565 -6.203 -25.364 1.00 0.00 O ATOM 642 OE2 GLU A 47 5.576 -6.925 -23.289 1.00 0.00 O ATOM 0 H GLU A 47 10.445 -4.375 -24.206 1.00 0.00 H new ATOM 0 HA GLU A 47 10.253 -7.262 -24.433 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.530 -5.540 -23.486 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.169 -5.185 -25.164 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.716 -7.673 -25.483 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.848 -7.846 -23.744 1.00 0.00 H new ATOM 649 N ASN A 48 10.908 -5.539 -26.987 1.00 0.00 N ATOM 650 CA ASN A 48 11.117 -5.525 -28.419 1.00 0.00 C ATOM 651 C ASN A 48 12.434 -6.199 -28.803 1.00 0.00 C ATOM 652 O ASN A 48 12.704 -6.406 -29.986 1.00 0.00 O ATOM 653 CB ASN A 48 11.101 -4.086 -28.940 1.00 0.00 C ATOM 654 CG ASN A 48 11.068 -4.020 -30.455 1.00 0.00 C ATOM 655 OD1 ASN A 48 10.092 -4.430 -31.083 1.00 0.00 O ATOM 656 ND2 ASN A 48 12.137 -3.502 -31.048 1.00 0.00 N ATOM 0 H ASN A 48 11.433 -4.825 -26.482 1.00 0.00 H new ATOM 0 HA ASN A 48 10.304 -6.088 -28.877 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.232 -3.566 -28.537 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.984 -3.561 -28.575 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.172 -3.431 -32.065 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.923 -3.175 -30.487 1.00 0.00 H new ATOM 663 N TYR A 49 13.254 -6.542 -27.807 1.00 0.00 N ATOM 664 CA TYR A 49 14.540 -7.187 -28.075 1.00 0.00 C ATOM 665 C TYR A 49 14.448 -8.700 -27.894 1.00 0.00 C ATOM 666 O TYR A 49 15.278 -9.448 -28.412 1.00 0.00 O ATOM 667 CB TYR A 49 15.622 -6.618 -27.154 1.00 0.00 C ATOM 668 CG TYR A 49 16.196 -5.309 -27.645 1.00 0.00 C ATOM 669 CD1 TYR A 49 17.127 -5.280 -28.676 1.00 0.00 C ATOM 670 CD2 TYR A 49 15.797 -4.100 -27.088 1.00 0.00 C ATOM 671 CE1 TYR A 49 17.643 -4.083 -29.137 1.00 0.00 C ATOM 672 CE2 TYR A 49 16.310 -2.900 -27.542 1.00 0.00 C ATOM 673 CZ TYR A 49 17.231 -2.897 -28.566 1.00 0.00 C ATOM 674 OH TYR A 49 17.743 -1.704 -29.022 1.00 0.00 O ATOM 0 H TYR A 49 13.054 -6.386 -26.819 1.00 0.00 H new ATOM 0 HA TYR A 49 14.806 -6.982 -29.112 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.202 -6.472 -26.159 1.00 0.00 H new ATOM 0 HB3 TYR A 49 16.427 -7.346 -27.057 1.00 0.00 H new ATOM 0 HD1 TYR A 49 17.453 -6.207 -29.124 1.00 0.00 H new ATOM 0 HD2 TYR A 49 15.073 -4.098 -26.286 1.00 0.00 H new ATOM 0 HE1 TYR A 49 18.365 -4.077 -29.940 1.00 0.00 H new ATOM 0 HE2 TYR A 49 15.991 -1.970 -27.096 1.00 0.00 H new ATOM 0 HH TYR A 49 17.349 -0.964 -28.515 1.00 0.00 H new ATOM 684 N LEU A 50 13.430 -9.147 -27.166 1.00 0.00 N ATOM 685 CA LEU A 50 13.226 -10.569 -26.925 1.00 0.00 C ATOM 686 C LEU A 50 11.737 -10.898 -26.904 1.00 0.00 C ATOM 687 O LEU A 50 11.090 -10.803 -25.863 1.00 0.00 O ATOM 688 CB LEU A 50 13.876 -10.981 -25.602 1.00 0.00 C ATOM 689 CG LEU A 50 14.257 -12.459 -25.502 1.00 0.00 C ATOM 690 CD1 LEU A 50 15.566 -12.724 -26.231 1.00 0.00 C ATOM 691 CD2 LEU A 50 14.359 -12.882 -24.043 1.00 0.00 C ATOM 0 H LEU A 50 12.732 -8.542 -26.732 1.00 0.00 H new ATOM 0 HA LEU A 50 13.694 -11.128 -27.735 1.00 0.00 H new ATOM 0 HB2 LEU A 50 14.772 -10.379 -25.452 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.192 -10.742 -24.788 1.00 0.00 H new ATOM 0 HG LEU A 50 13.476 -13.051 -25.979 1.00 0.00 H new ATOM 0 HD11 LEU A 50 15.821 -13.781 -26.149 1.00 0.00 H new ATOM 0 HD12 LEU A 50 15.457 -12.458 -27.282 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.359 -12.124 -25.785 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.631 -13.936 -23.988 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.121 -12.284 -23.543 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.398 -12.729 -23.552 1.00 0.00 H new ATOM 703 N PRO A 51 11.171 -11.277 -28.065 1.00 0.00 N ATOM 704 CA PRO A 51 9.744 -11.611 -28.193 1.00 0.00 C ATOM 705 C PRO A 51 9.236 -12.523 -27.082 1.00 0.00 C ATOM 706 O PRO A 51 9.171 -13.740 -27.249 1.00 0.00 O ATOM 707 CB PRO A 51 9.692 -12.324 -29.539 1.00 0.00 C ATOM 708 CG PRO A 51 10.742 -11.636 -30.328 1.00 0.00 C ATOM 709 CD PRO A 51 11.869 -11.400 -29.361 1.00 0.00 C ATOM 0 HA PRO A 51 9.109 -10.728 -28.122 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.897 -13.390 -29.438 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.712 -12.231 -30.006 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.067 -12.248 -31.170 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.373 -10.697 -30.740 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.580 -12.226 -29.360 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.429 -10.497 -29.606 1.00 0.00 H new ATOM 717 N SER A 52 8.869 -11.922 -25.953 1.00 0.00 N ATOM 718 CA SER A 52 8.358 -12.669 -24.806 1.00 0.00 C ATOM 719 C SER A 52 8.189 -11.750 -23.598 1.00 0.00 C ATOM 720 O SER A 52 9.172 -11.233 -23.066 1.00 0.00 O ATOM 721 CB SER A 52 9.300 -13.822 -24.442 1.00 0.00 C ATOM 722 OG SER A 52 8.820 -14.531 -23.313 1.00 0.00 O ATOM 0 H SER A 52 8.916 -10.914 -25.807 1.00 0.00 H new ATOM 0 HA SER A 52 7.387 -13.079 -25.083 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.394 -14.501 -25.289 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.296 -13.431 -24.234 1.00 0.00 H new ATOM 0 HG SER A 52 9.436 -15.263 -23.100 1.00 0.00 H new ATOM 728 N PRO A 53 6.943 -11.521 -23.149 1.00 0.00 N ATOM 729 CA PRO A 53 6.656 -10.655 -22.016 1.00 0.00 C ATOM 730 C PRO A 53 6.528 -11.426 -20.705 1.00 0.00 C ATOM 731 O PRO A 53 7.283 -11.187 -19.764 1.00 0.00 O ATOM 732 CB PRO A 53 5.313 -10.044 -22.410 1.00 0.00 C ATOM 733 CG PRO A 53 4.648 -11.058 -23.297 1.00 0.00 C ATOM 734 CD PRO A 53 5.701 -12.060 -23.722 1.00 0.00 C ATOM 0 HA PRO A 53 7.449 -9.930 -21.832 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.705 -9.835 -21.530 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.452 -9.098 -22.933 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.837 -11.557 -22.766 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.208 -10.573 -24.168 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.483 -13.057 -23.340 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.762 -12.141 -24.807 1.00 0.00 H new ATOM 742 N CYS A 54 5.551 -12.334 -20.650 1.00 0.00 N ATOM 743 CA CYS A 54 5.283 -13.141 -19.471 1.00 0.00 C ATOM 744 C CYS A 54 4.491 -12.328 -18.450 1.00 0.00 C ATOM 745 O CYS A 54 4.618 -11.105 -18.387 1.00 0.00 O ATOM 746 CB CYS A 54 6.585 -13.659 -18.894 1.00 0.00 C ATOM 747 SG CYS A 54 6.415 -14.573 -17.329 1.00 0.00 S ATOM 0 H CYS A 54 4.923 -12.527 -21.430 1.00 0.00 H new ATOM 0 HA CYS A 54 4.676 -14.003 -19.747 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.059 -14.310 -19.629 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.257 -12.816 -18.735 1.00 0.00 H new ATOM 752 N GLN A 55 3.636 -13.007 -17.692 1.00 0.00 N ATOM 753 CA GLN A 55 2.780 -12.337 -16.716 1.00 0.00 C ATOM 754 C GLN A 55 1.797 -11.398 -17.420 1.00 0.00 C ATOM 755 O GLN A 55 1.126 -10.589 -16.782 1.00 0.00 O ATOM 756 CB GLN A 55 3.606 -11.563 -15.679 1.00 0.00 C ATOM 757 CG GLN A 55 2.768 -10.811 -14.651 1.00 0.00 C ATOM 758 CD GLN A 55 3.102 -9.334 -14.584 1.00 0.00 C ATOM 759 OE1 GLN A 55 2.219 -8.490 -14.436 1.00 0.00 O ATOM 760 NE2 GLN A 55 4.386 -9.017 -14.687 1.00 0.00 N ATOM 0 H GLN A 55 3.517 -14.019 -17.734 1.00 0.00 H new ATOM 0 HA GLN A 55 2.217 -13.107 -16.188 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.261 -12.261 -15.157 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.248 -10.852 -16.199 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.712 -10.929 -14.894 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.921 -11.258 -13.669 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.084 -9.751 -14.809 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.675 -8.040 -14.644 1.00 0.00 H new ATOM 769 N SER A 56 1.716 -11.504 -18.745 1.00 0.00 N ATOM 770 CA SER A 56 0.816 -10.669 -19.515 1.00 0.00 C ATOM 771 C SER A 56 -0.629 -10.955 -19.134 1.00 0.00 C ATOM 772 O SER A 56 -0.938 -12.013 -18.587 1.00 0.00 O ATOM 773 CB SER A 56 1.022 -10.897 -21.013 1.00 0.00 C ATOM 774 OG SER A 56 0.797 -12.253 -21.360 1.00 0.00 O ATOM 0 H SER A 56 2.264 -12.161 -19.301 1.00 0.00 H new ATOM 0 HA SER A 56 1.038 -9.626 -19.289 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.344 -10.257 -21.578 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.036 -10.611 -21.291 1.00 0.00 H new ATOM 0 HG SER A 56 0.934 -12.371 -22.323 1.00 0.00 H new ATOM 780 N GLY A 57 -1.510 -10.008 -19.424 1.00 0.00 N ATOM 781 CA GLY A 57 -2.910 -10.186 -19.099 1.00 0.00 C ATOM 782 C GLY A 57 -3.628 -8.874 -18.866 1.00 0.00 C ATOM 783 O GLY A 57 -3.567 -8.310 -17.773 1.00 0.00 O ATOM 0 H GLY A 57 -1.281 -9.123 -19.877 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.401 -10.725 -19.909 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.995 -10.806 -18.206 1.00 0.00 H new ATOM 787 N GLN A 58 -4.318 -8.393 -19.893 1.00 0.00 N ATOM 788 CA GLN A 58 -5.056 -7.154 -19.807 1.00 0.00 C ATOM 789 C GLN A 58 -6.079 -7.222 -18.677 1.00 0.00 C ATOM 790 O GLN A 58 -6.898 -8.137 -18.627 1.00 0.00 O ATOM 791 CB GLN A 58 -5.743 -6.895 -21.140 1.00 0.00 C ATOM 792 CG GLN A 58 -4.826 -7.057 -22.344 1.00 0.00 C ATOM 793 CD GLN A 58 -5.525 -6.750 -23.652 1.00 0.00 C ATOM 794 OE1 GLN A 58 -6.571 -7.320 -23.960 1.00 0.00 O ATOM 795 NE2 GLN A 58 -4.947 -5.843 -24.430 1.00 0.00 N ATOM 0 H GLN A 58 -4.377 -8.853 -20.801 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.372 -6.334 -19.589 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.586 -7.578 -21.243 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.150 -5.884 -21.138 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.965 -6.397 -22.232 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.444 -8.078 -22.371 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.079 -5.396 -24.134 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.370 -5.593 -25.324 1.00 0.00 H new ATOM 804 N LYS A 59 -6.074 -6.201 -17.825 1.00 0.00 N ATOM 805 CA LYS A 59 -7.045 -6.053 -16.756 1.00 0.00 C ATOM 806 C LYS A 59 -8.258 -5.165 -17.151 1.00 0.00 C ATOM 807 O LYS A 59 -8.617 -4.281 -16.371 1.00 0.00 O ATOM 808 CB LYS A 59 -6.356 -5.521 -15.508 1.00 0.00 C ATOM 809 CG LYS A 59 -7.071 -5.876 -14.209 1.00 0.00 C ATOM 810 CD LYS A 59 -6.162 -5.695 -12.999 1.00 0.00 C ATOM 811 CE LYS A 59 -6.060 -6.967 -12.169 1.00 0.00 C ATOM 812 NZ LYS A 59 -6.488 -6.747 -10.758 1.00 0.00 N ATOM 0 H LYS A 59 -5.387 -5.448 -17.861 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.457 -7.041 -16.551 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.340 -5.913 -15.471 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.277 -4.436 -15.583 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.955 -5.249 -14.097 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.416 -6.909 -14.254 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.168 -5.399 -13.333 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.543 -4.885 -12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.678 -7.744 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.032 -7.329 -12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.404 -7.637 -10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.882 -6.024 -10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.477 -6.426 -10.741 1.00 0.00 H new ATOM 826 N PRO A 60 -8.867 -5.292 -18.350 1.00 0.00 N ATOM 827 CA PRO A 60 -9.965 -4.409 -18.764 1.00 0.00 C ATOM 828 C PRO A 60 -10.995 -4.132 -17.683 1.00 0.00 C ATOM 829 O PRO A 60 -11.375 -5.033 -16.936 1.00 0.00 O ATOM 830 CB PRO A 60 -10.611 -5.157 -19.917 1.00 0.00 C ATOM 831 CG PRO A 60 -9.512 -5.966 -20.513 1.00 0.00 C ATOM 832 CD PRO A 60 -8.512 -6.232 -19.413 1.00 0.00 C ATOM 0 HA PRO A 60 -9.579 -3.422 -19.018 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.425 -5.793 -19.569 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.035 -4.468 -20.647 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.898 -6.902 -20.918 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.043 -5.431 -21.339 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.572 -7.263 -19.065 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.491 -6.071 -19.759 1.00 0.00 H new ATOM 840 N CYS A 61 -11.432 -2.870 -17.575 1.00 0.00 N ATOM 841 CA CYS A 61 -12.385 -2.484 -16.558 1.00 0.00 C ATOM 842 C CYS A 61 -13.239 -1.292 -16.962 1.00 0.00 C ATOM 843 O CYS A 61 -12.808 -0.397 -17.689 1.00 0.00 O ATOM 844 CB CYS A 61 -11.687 -2.099 -15.259 1.00 0.00 C ATOM 845 SG CYS A 61 -9.991 -1.394 -15.443 1.00 0.00 S ATOM 0 H CYS A 61 -11.134 -2.109 -18.185 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.018 -3.361 -16.425 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.308 -1.372 -14.735 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.627 -2.983 -14.624 1.00 0.00 H new ATOM 850 N GLY A 62 -14.477 -1.344 -16.479 1.00 0.00 N ATOM 851 CA GLY A 62 -15.480 -0.326 -16.754 1.00 0.00 C ATOM 852 C GLY A 62 -15.004 1.126 -16.659 1.00 0.00 C ATOM 853 O GLY A 62 -15.796 2.036 -16.911 1.00 0.00 O ATOM 0 H GLY A 62 -14.812 -2.100 -15.882 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.874 -0.494 -17.756 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.308 -0.463 -16.059 1.00 0.00 H new ATOM 857 N SER A 63 -13.746 1.366 -16.351 1.00 0.00 N ATOM 858 CA SER A 63 -13.258 2.719 -16.303 1.00 0.00 C ATOM 859 C SER A 63 -12.659 3.096 -17.657 1.00 0.00 C ATOM 860 O SER A 63 -11.656 3.803 -17.746 1.00 0.00 O ATOM 861 CB SER A 63 -12.261 2.903 -15.169 1.00 0.00 C ATOM 862 OG SER A 63 -11.946 4.272 -14.980 1.00 0.00 O ATOM 0 H SER A 63 -13.054 0.649 -16.133 1.00 0.00 H new ATOM 0 HA SER A 63 -14.091 3.392 -16.098 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.674 2.492 -14.248 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.351 2.345 -15.387 1.00 0.00 H new ATOM 0 HG SER A 63 -11.632 4.655 -15.826 1.00 0.00 H new ATOM 868 N GLY A 64 -13.322 2.611 -18.710 1.00 0.00 N ATOM 869 CA GLY A 64 -12.922 2.879 -20.076 1.00 0.00 C ATOM 870 C GLY A 64 -11.507 2.486 -20.412 1.00 0.00 C ATOM 871 O GLY A 64 -10.735 3.307 -20.909 1.00 0.00 O ATOM 0 H GLY A 64 -14.151 2.022 -18.630 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.599 2.351 -20.748 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.044 3.944 -20.272 1.00 0.00 H new ATOM 875 N GLY A 65 -11.156 1.245 -20.152 1.00 0.00 N ATOM 876 CA GLY A 65 -9.825 0.770 -20.440 1.00 0.00 C ATOM 877 C GLY A 65 -9.431 -0.443 -19.624 1.00 0.00 C ATOM 878 O GLY A 65 -10.282 -1.188 -19.143 1.00 0.00 O ATOM 0 H GLY A 65 -11.777 0.548 -19.741 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.756 0.524 -21.500 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.112 1.573 -20.252 1.00 0.00 H new ATOM 882 N ARG A 66 -8.134 -0.618 -19.453 1.00 0.00 N ATOM 883 CA ARG A 66 -7.629 -1.719 -18.660 1.00 0.00 C ATOM 884 C ARG A 66 -7.137 -1.218 -17.339 1.00 0.00 C ATOM 885 O ARG A 66 -6.739 -0.077 -17.222 1.00 0.00 O ATOM 886 CB ARG A 66 -6.519 -2.512 -19.338 1.00 0.00 C ATOM 887 CG ARG A 66 -6.596 -2.512 -20.853 1.00 0.00 C ATOM 888 CD ARG A 66 -7.973 -2.943 -21.327 1.00 0.00 C ATOM 889 NE ARG A 66 -7.971 -3.354 -22.728 1.00 0.00 N ATOM 890 CZ ARG A 66 -8.986 -3.149 -23.567 1.00 0.00 C ATOM 891 NH1 ARG A 66 -10.088 -2.529 -23.159 1.00 0.00 N ATOM 892 NH2 ARG A 66 -8.900 -3.570 -24.820 1.00 0.00 N ATOM 0 H ARG A 66 -7.415 -0.014 -19.851 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.470 -2.401 -18.530 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.556 -2.102 -19.034 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.554 -3.542 -18.983 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.372 -1.515 -21.232 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.840 -3.184 -21.259 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.326 -3.768 -20.709 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.675 -2.120 -21.193 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.142 -3.827 -23.087 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.163 -2.204 -22.195 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.859 -2.378 -23.810 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.059 -4.050 -25.140 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.675 -3.415 -25.465 1.00 0.00 H new ATOM 906 N CYS A 67 -7.129 -2.079 -16.348 1.00 0.00 N ATOM 907 CA CYS A 67 -6.647 -1.714 -15.035 1.00 0.00 C ATOM 908 C CYS A 67 -5.135 -1.565 -15.004 1.00 0.00 C ATOM 909 O CYS A 67 -4.444 -2.258 -14.259 1.00 0.00 O ATOM 910 CB CYS A 67 -7.091 -2.752 -14.040 1.00 0.00 C ATOM 911 SG CYS A 67 -6.827 -2.308 -12.315 1.00 0.00 S ATOM 0 H CYS A 67 -7.453 -3.043 -16.427 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.068 -0.743 -14.774 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.152 -2.949 -14.191 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.561 -3.682 -14.246 1.00 0.00 H new ATOM 916 N ALA A 68 -4.637 -0.681 -15.846 1.00 0.00 N ATOM 917 CA ALA A 68 -3.210 -0.442 -15.956 1.00 0.00 C ATOM 918 C ALA A 68 -2.505 -0.463 -14.590 1.00 0.00 C ATOM 919 O ALA A 68 -2.145 -1.529 -14.091 1.00 0.00 O ATOM 920 CB ALA A 68 -2.966 0.867 -16.671 1.00 0.00 C ATOM 0 H ALA A 68 -5.206 -0.110 -16.471 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.779 -1.257 -16.538 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.893 1.043 -16.752 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.403 0.823 -17.669 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.426 1.680 -16.109 1.00 0.00 H new ATOM 926 N ALA A 69 -2.253 0.716 -14.021 1.00 0.00 N ATOM 927 CA ALA A 69 -1.548 0.910 -12.748 1.00 0.00 C ATOM 928 C ALA A 69 -2.304 0.437 -11.504 1.00 0.00 C ATOM 929 O ALA A 69 -3.286 -0.302 -11.582 1.00 0.00 O ATOM 930 CB ALA A 69 -1.107 2.363 -12.605 1.00 0.00 C ATOM 0 H ALA A 69 -2.544 1.596 -14.447 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.676 0.259 -12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.585 2.493 -11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.438 2.623 -13.426 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.982 3.013 -12.630 1.00 0.00 H new ATOM 936 N ALA A 70 -1.868 0.987 -10.361 1.00 0.00 N ATOM 937 CA ALA A 70 -2.527 0.752 -9.096 1.00 0.00 C ATOM 938 C ALA A 70 -3.910 1.326 -9.175 1.00 0.00 C ATOM 939 O ALA A 70 -4.057 2.541 -9.116 1.00 0.00 O ATOM 940 CB ALA A 70 -1.836 1.448 -7.939 1.00 0.00 C ATOM 0 H ALA A 70 -1.055 1.600 -10.301 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.515 -0.324 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.373 1.237 -7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.812 1.084 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.826 2.524 -8.115 1.00 0.00 H new ATOM 946 N GLY A 71 -4.915 0.496 -9.319 1.00 0.00 N ATOM 947 CA GLY A 71 -6.243 1.026 -9.400 1.00 0.00 C ATOM 948 C GLY A 71 -6.424 1.986 -10.559 1.00 0.00 C ATOM 949 O GLY A 71 -7.235 2.905 -10.487 1.00 0.00 O ATOM 0 H GLY A 71 -4.839 -0.519 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.952 0.204 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.482 1.539 -8.469 1.00 0.00 H new ATOM 953 N ILE A 72 -5.659 1.770 -11.615 1.00 0.00 N ATOM 954 CA ILE A 72 -5.714 2.598 -12.812 1.00 0.00 C ATOM 955 C ILE A 72 -6.344 1.804 -13.933 1.00 0.00 C ATOM 956 O ILE A 72 -6.031 0.639 -14.124 1.00 0.00 O ATOM 957 CB ILE A 72 -4.322 3.133 -13.269 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.982 4.451 -12.572 1.00 0.00 C ATOM 959 CG2 ILE A 72 -4.265 3.351 -14.775 1.00 0.00 C ATOM 960 CD1 ILE A 72 -4.055 5.678 -13.473 1.00 0.00 C ATOM 0 H ILE A 72 -4.978 1.012 -11.669 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.313 3.474 -12.564 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.594 2.371 -12.992 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.664 4.590 -11.733 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.977 4.379 -12.157 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.279 3.724 -15.052 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.453 2.407 -15.287 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.023 4.078 -15.066 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.799 6.568 -12.898 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.352 5.565 -14.299 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.066 5.780 -13.868 1.00 0.00 H new ATOM 972 N CYS A 73 -7.205 2.447 -14.685 1.00 0.00 N ATOM 973 CA CYS A 73 -7.841 1.813 -15.797 1.00 0.00 C ATOM 974 C CYS A 73 -7.477 2.647 -17.006 1.00 0.00 C ATOM 975 O CYS A 73 -7.898 3.800 -17.167 1.00 0.00 O ATOM 976 CB CYS A 73 -9.356 1.630 -15.563 1.00 0.00 C ATOM 977 SG CYS A 73 -10.173 0.315 -16.560 1.00 0.00 S ATOM 0 H CYS A 73 -7.478 3.419 -14.538 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.496 0.790 -15.949 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.517 1.411 -14.507 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.853 2.578 -15.771 1.00 0.00 H new ATOM 982 N CYS A 74 -6.561 2.087 -17.766 1.00 0.00 N ATOM 983 CA CYS A 74 -5.971 2.751 -18.894 1.00 0.00 C ATOM 984 C CYS A 74 -5.907 1.854 -20.089 1.00 0.00 C ATOM 985 O CYS A 74 -5.939 0.628 -19.972 1.00 0.00 O ATOM 986 CB CYS A 74 -4.556 3.097 -18.488 1.00 0.00 C ATOM 987 SG CYS A 74 -3.441 3.719 -19.792 1.00 0.00 S ATOM 0 H CYS A 74 -6.204 1.144 -17.610 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.566 3.624 -19.161 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.605 3.848 -17.699 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.102 2.207 -18.052 1.00 0.00 H new ATOM 992 N SER A 75 -5.751 2.467 -21.232 1.00 0.00 N ATOM 993 CA SER A 75 -5.604 1.713 -22.441 1.00 0.00 C ATOM 994 C SER A 75 -4.184 1.970 -22.942 1.00 0.00 C ATOM 995 O SER A 75 -3.266 2.043 -22.125 1.00 0.00 O ATOM 996 CB SER A 75 -6.674 2.188 -23.429 1.00 0.00 C ATOM 997 OG SER A 75 -7.976 2.012 -22.893 1.00 0.00 O ATOM 0 H SER A 75 -5.723 3.480 -21.348 1.00 0.00 H new ATOM 0 HA SER A 75 -5.741 0.640 -22.303 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.514 3.240 -23.666 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.583 1.633 -24.363 1.00 0.00 H new ATOM 0 HG SER A 75 -8.642 2.324 -23.541 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.948 2.191 -24.240 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.621 2.520 -24.706 1.00 0.00 C ATOM 1005 C PRO A 76 -2.448 4.033 -24.742 1.00 0.00 C ATOM 1006 O PRO A 76 -1.339 4.562 -24.717 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.623 1.963 -26.121 1.00 0.00 C ATOM 1008 CG PRO A 76 -4.037 2.080 -26.590 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.911 2.164 -25.362 1.00 0.00 C ATOM 0 HA PRO A 76 -1.821 2.124 -24.080 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.947 2.525 -26.766 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.288 0.926 -26.136 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.163 2.965 -27.213 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.312 1.219 -27.200 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.534 3.059 -25.375 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.583 1.309 -25.291 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.584 4.688 -24.944 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.698 6.160 -25.162 1.00 0.00 C ATOM 1019 C ASP A 77 -3.420 6.963 -23.929 1.00 0.00 C ATOM 1020 O ASP A 77 -2.455 7.728 -23.894 1.00 0.00 O ATOM 1021 CB ASP A 77 -5.089 6.509 -25.694 1.00 0.00 C ATOM 1022 CG ASP A 77 -5.028 7.423 -26.902 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.169 8.330 -26.917 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -5.839 7.233 -27.832 1.00 0.00 O ATOM 0 H ASP A 77 -4.487 4.215 -24.965 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.935 6.422 -25.895 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.615 5.592 -25.961 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.667 6.990 -24.905 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.201 6.741 -22.856 1.00 0.00 N ATOM 1030 CA GLY A 78 -3.914 7.422 -21.594 1.00 0.00 C ATOM 1031 C GLY A 78 -4.460 6.688 -20.387 1.00 0.00 C ATOM 1032 O GLY A 78 -5.420 5.915 -20.514 1.00 0.00 O ATOM 0 H GLY A 78 -5.007 6.117 -22.840 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.835 7.535 -21.486 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.338 8.426 -21.625 1.00 0.00 H new ATOM 1036 N CYS A 79 -3.848 6.869 -19.221 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.293 6.175 -18.020 1.00 0.00 C ATOM 1038 C CYS A 79 -4.827 7.089 -16.942 1.00 0.00 C ATOM 1039 O CYS A 79 -4.296 8.169 -16.683 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.147 5.403 -17.414 1.00 0.00 C ATOM 1041 SG CYS A 79 -2.056 4.674 -18.667 1.00 0.00 S ATOM 0 H CYS A 79 -3.048 7.486 -19.083 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.104 5.526 -18.351 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.566 6.066 -16.773 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.543 4.612 -16.778 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.908 6.639 -16.346 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.587 7.393 -15.305 1.00 0.00 C ATOM 1048 C GLU A 80 -7.076 6.473 -14.194 1.00 0.00 C ATOM 1049 O GLU A 80 -7.808 5.514 -14.448 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.765 8.166 -15.899 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.758 7.276 -16.632 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.196 7.550 -16.237 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.562 8.736 -16.110 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.958 6.575 -16.059 1.00 0.00 O ATOM 0 H GLU A 80 -6.344 5.743 -16.565 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.874 8.098 -14.877 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.283 8.696 -15.100 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.386 8.920 -16.588 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.647 7.423 -17.706 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.523 6.232 -16.427 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.620 6.728 -12.968 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.942 5.892 -11.829 1.00 0.00 C ATOM 1063 C GLU A 81 -8.410 5.546 -11.724 1.00 0.00 C ATOM 1064 O GLU A 81 -9.262 6.416 -11.543 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.456 6.568 -10.546 1.00 0.00 C ATOM 1066 CG GLU A 81 -6.401 8.083 -10.619 1.00 0.00 C ATOM 1067 CD GLU A 81 -6.916 8.762 -9.368 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -6.381 8.479 -8.277 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -7.857 9.576 -9.478 1.00 0.00 O ATOM 0 H GLU A 81 -6.018 7.521 -12.744 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.425 4.944 -11.976 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.113 6.279 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.462 6.191 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.371 8.394 -10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.987 8.420 -11.474 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.687 4.251 -11.815 1.00 0.00 N ATOM 1077 CA ASP A 82 -10.022 3.735 -11.717 1.00 0.00 C ATOM 1078 C ASP A 82 -10.299 3.272 -10.291 1.00 0.00 C ATOM 1079 O ASP A 82 -9.760 2.267 -9.833 1.00 0.00 O ATOM 1080 CB ASP A 82 -10.240 2.573 -12.704 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.235 1.468 -12.571 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.088 1.758 -12.240 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -9.608 0.298 -12.807 1.00 0.00 O ATOM 0 H ASP A 82 -7.976 3.534 -11.960 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.717 4.534 -11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.239 2.163 -12.553 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.206 2.962 -13.722 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.156 4.015 -9.575 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.551 3.705 -8.211 1.00 0.00 C ATOM 1090 C PRO A 83 -12.081 2.302 -8.170 1.00 0.00 C ATOM 1091 O PRO A 83 -12.073 1.619 -7.152 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.660 4.723 -7.932 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.351 5.852 -8.837 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.813 5.204 -10.073 1.00 0.00 C ATOM 0 HA PRO A 83 -10.744 3.762 -7.481 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.645 4.305 -8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.659 5.037 -6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.241 6.442 -9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.620 6.528 -8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.609 4.958 -10.776 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.116 5.858 -10.597 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.487 1.874 -9.332 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.968 0.556 -9.520 1.00 0.00 C ATOM 1104 C ALA A 84 -11.853 -0.421 -9.203 1.00 0.00 C ATOM 1105 O ALA A 84 -12.094 -1.543 -8.761 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.423 0.421 -10.957 1.00 0.00 C ATOM 0 H ALA A 84 -12.489 2.445 -10.177 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.809 0.342 -8.860 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.799 -0.588 -11.126 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.216 1.142 -11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.583 0.612 -11.624 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.622 0.012 -9.489 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.466 -0.823 -9.283 1.00 0.00 C ATOM 1114 C CYS A 85 -8.659 -0.596 -7.986 1.00 0.00 C ATOM 1115 O CYS A 85 -8.124 -1.584 -7.485 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.503 -0.792 -10.470 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.705 -2.173 -11.606 1.00 0.00 S ATOM 0 H CYS A 85 -10.414 0.938 -9.863 1.00 0.00 H new ATOM 0 HA CYS A 85 -9.927 -1.805 -9.178 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.645 0.140 -11.017 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.479 -0.789 -10.095 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.491 0.644 -7.429 1.00 0.00 N ATOM 1123 CA ASP A 86 -7.621 0.730 -6.210 1.00 0.00 C ATOM 1124 C ASP A 86 -7.095 2.095 -5.667 1.00 0.00 C ATOM 1125 O ASP A 86 -6.628 2.120 -4.528 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.321 0.024 -6.549 1.00 0.00 C ATOM 1127 CG ASP A 86 -5.577 -0.477 -5.329 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -6.236 -0.981 -4.396 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -4.332 -0.371 -5.309 1.00 0.00 O ATOM 0 H ASP A 86 -8.900 1.517 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.299 0.341 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.534 -0.818 -7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.678 0.708 -7.103 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.002 3.195 -6.435 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.363 4.427 -5.964 1.00 0.00 C ATOM 1136 C PRO A 87 -7.345 5.481 -5.559 1.00 0.00 C ATOM 1137 O PRO A 87 -7.526 5.793 -4.381 1.00 0.00 O ATOM 1138 CB PRO A 87 -5.593 4.869 -7.217 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.096 3.987 -8.320 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.365 3.369 -7.817 1.00 0.00 C ATOM 0 HA PRO A 87 -5.755 4.271 -5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.774 5.920 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.518 4.753 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.277 4.563 -9.227 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.363 3.221 -8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.230 4.020 -7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.599 2.427 -8.312 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.012 5.982 -6.567 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.040 6.962 -6.348 1.00 0.00 C ATOM 1150 C GLU A 88 -10.206 6.213 -5.700 1.00 0.00 C ATOM 1151 O GLU A 88 -11.273 6.755 -5.410 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.457 7.571 -7.693 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.199 8.892 -7.570 1.00 0.00 C ATOM 1154 CD GLU A 88 -10.789 9.350 -8.889 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -11.217 8.486 -9.682 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -10.822 10.576 -9.131 1.00 0.00 O ATOM 0 H GLU A 88 -7.861 5.728 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.704 7.779 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.567 7.722 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.090 6.859 -8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.997 8.790 -6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.516 9.655 -7.196 1.00 0.00 H new ATOM 1163 N ALA A 89 -9.964 4.906 -5.627 1.00 0.00 N ATOM 1164 CA ALA A 89 -10.881 3.877 -5.195 1.00 0.00 C ATOM 1165 C ALA A 89 -11.379 3.846 -3.751 1.00 0.00 C ATOM 1166 O ALA A 89 -11.067 4.652 -2.874 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.217 2.543 -5.488 1.00 0.00 C ATOM 0 H ALA A 89 -9.056 4.521 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.792 4.105 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.876 1.732 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.021 2.461 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.277 2.477 -4.941 1.00 0.00 H new ATOM 1173 N ALA A 90 -12.109 2.754 -3.614 1.00 0.00 N ATOM 1174 CA ALA A 90 -12.757 2.165 -2.475 1.00 0.00 C ATOM 1175 C ALA A 90 -11.862 1.040 -1.994 1.00 0.00 C ATOM 1176 O ALA A 90 -10.667 1.060 -2.289 1.00 0.00 O ATOM 1177 CB ALA A 90 -14.082 1.589 -2.934 1.00 0.00 C ATOM 0 H ALA A 90 -12.281 2.177 -4.437 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.928 2.892 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.595 1.135 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.701 2.385 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -13.905 0.832 -3.698 1.00 0.00 H new ATOM 1183 N PHE A 91 -12.374 0.066 -1.262 1.00 0.00 N ATOM 1184 CA PHE A 91 -11.503 -0.998 -0.782 1.00 0.00 C ATOM 1185 C PHE A 91 -10.896 -1.779 -1.945 1.00 0.00 C ATOM 1186 O PHE A 91 -10.163 -2.746 -1.733 1.00 0.00 O ATOM 1187 CB PHE A 91 -12.248 -1.952 0.154 1.00 0.00 C ATOM 1188 CG PHE A 91 -11.382 -2.454 1.274 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -10.746 -1.561 2.122 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -11.187 -3.813 1.472 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -9.936 -2.010 3.145 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -10.375 -4.268 2.494 1.00 0.00 C ATOM 1193 CZ PHE A 91 -9.749 -3.366 3.332 1.00 0.00 C ATOM 0 H PHE A 91 -13.355 -0.013 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.698 -0.524 -0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -13.116 -1.442 0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.622 -2.800 -0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -10.886 -0.500 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.675 -4.523 0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.449 -1.302 3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -10.230 -5.329 2.637 1.00 0.00 H new ATOM 0 HZ PHE A 91 -9.115 -3.720 4.131 1.00 0.00 H new ATOM 1203 N SER A 92 -11.206 -1.366 -3.176 1.00 0.00 N ATOM 1204 CA SER A 92 -10.696 -2.027 -4.367 1.00 0.00 C ATOM 1205 C SER A 92 -9.187 -1.862 -4.472 1.00 0.00 C ATOM 1206 O SER A 92 -8.632 -1.031 -3.722 1.00 0.00 O ATOM 1207 CB SER A 92 -11.352 -1.392 -5.605 1.00 0.00 C ATOM 1208 OG SER A 92 -10.804 -1.907 -6.811 1.00 0.00 O ATOM 1209 OXT SER A 92 -8.570 -2.568 -5.295 1.00 0.00 O ATOM 0 H SER A 92 -11.813 -0.570 -3.369 1.00 0.00 H new ATOM 0 HA SER A 92 -10.930 -3.090 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.426 -1.578 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.215 -0.311 -5.575 1.00 0.00 H new ATOM 0 HG SER A 92 -11.515 -2.001 -7.479 1.00 0.00 H new TER 1215 SER A 92