USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 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+ 143:sc= 0.0133 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= 0.225 (180deg=0.0127) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.81! K(o=-2.8!,f=-1.3) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 134:sc= 0.799 USER MOD Single : A 55 GLN : amide:sc= -2.06! C(o=-2.1!,f=-6.1!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -5.28 K(o=-5.3,f=-14!) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= -1.07 (180deg=-1.28) USER MOD Single : A 63 SER OG : rot 8:sc= -1.12 USER MOD Single : A 75 SER OG : rot -99:sc= 1.3 USER MOD Single : A 92 SER OG : rot 7:sc= -1.82! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.406 0.244 -7.492 1.00 0.00 N ATOM 2 CA ALA A 1 -9.554 1.667 -7.894 1.00 0.00 C ATOM 3 C ALA A 1 -8.265 2.447 -7.650 1.00 0.00 C ATOM 4 O ALA A 1 -7.553 2.202 -6.675 1.00 0.00 O ATOM 5 CB ALA A 1 -10.711 2.310 -7.144 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.295 -0.092 -7.071 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.180 -0.331 -8.328 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.639 0.158 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.767 1.695 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.808 3.352 -7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.634 1.778 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.521 2.261 -6.072 1.00 0.00 H new ATOM 13 N VAL A 2 -7.972 3.384 -8.547 1.00 0.00 N ATOM 14 CA VAL A 2 -6.769 4.203 -8.446 1.00 0.00 C ATOM 15 C VAL A 2 -6.982 5.400 -7.521 1.00 0.00 C ATOM 16 O VAL A 2 -7.876 5.403 -6.675 1.00 0.00 O ATOM 17 CB VAL A 2 -6.314 4.681 -9.851 1.00 0.00 C ATOM 18 CG1 VAL A 2 -7.099 5.901 -10.332 1.00 0.00 C ATOM 19 CG2 VAL A 2 -4.814 4.949 -9.878 1.00 0.00 C ATOM 0 H VAL A 2 -8.555 3.595 -9.357 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.984 3.583 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.530 3.871 -10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.743 6.196 -11.319 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.159 5.653 -10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.955 6.725 -9.633 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.522 5.282 -10.874 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.569 5.722 -9.150 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.276 4.034 -9.630 1.00 0.00 H new ATOM 29 N LEU A 3 -6.131 6.399 -7.688 1.00 0.00 N ATOM 30 CA LEU A 3 -6.166 7.606 -6.900 1.00 0.00 C ATOM 31 C LEU A 3 -7.340 8.484 -7.267 1.00 0.00 C ATOM 32 O LEU A 3 -7.985 8.285 -8.296 1.00 0.00 O ATOM 33 CB LEU A 3 -4.880 8.406 -7.139 1.00 0.00 C ATOM 34 CG LEU A 3 -3.802 8.252 -6.073 1.00 0.00 C ATOM 35 CD1 LEU A 3 -4.438 7.771 -4.793 1.00 0.00 C ATOM 36 CD2 LEU A 3 -2.718 7.289 -6.539 1.00 0.00 C ATOM 0 H LEU A 3 -5.388 6.388 -8.387 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.261 7.312 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.461 8.108 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.139 9.462 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.328 9.217 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.672 7.659 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.181 8.496 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.922 6.810 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.958 7.193 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.160 6.312 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.259 7.671 -7.451 1.00 0.00 H new ATOM 48 N ASP A 4 -7.587 9.489 -6.435 1.00 0.00 N ATOM 49 CA ASP A 4 -8.653 10.410 -6.705 1.00 0.00 C ATOM 50 C ASP A 4 -8.183 11.365 -7.793 1.00 0.00 C ATOM 51 O ASP A 4 -8.313 11.083 -8.984 1.00 0.00 O ATOM 52 CB ASP A 4 -9.097 11.167 -5.443 1.00 0.00 C ATOM 53 CG ASP A 4 -9.843 12.458 -5.752 1.00 0.00 C ATOM 54 OD1 ASP A 4 -11.059 12.389 -6.033 1.00 0.00 O ATOM 55 OD2 ASP A 4 -9.210 13.535 -5.715 1.00 0.00 O ATOM 0 H ASP A 4 -7.063 9.675 -5.580 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.531 9.860 -7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.737 10.519 -4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.220 11.397 -4.837 1.00 0.00 H new ATOM 60 N LEU A 5 -7.598 12.471 -7.371 1.00 0.00 N ATOM 61 CA LEU A 5 -7.059 13.447 -8.290 1.00 0.00 C ATOM 62 C LEU A 5 -5.661 13.042 -8.722 1.00 0.00 C ATOM 63 O LEU A 5 -5.443 12.550 -9.829 1.00 0.00 O ATOM 64 CB LEU A 5 -7.117 14.888 -7.709 1.00 0.00 C ATOM 65 CG LEU A 5 -6.218 15.287 -6.510 1.00 0.00 C ATOM 66 CD1 LEU A 5 -6.024 14.167 -5.494 1.00 0.00 C ATOM 67 CD2 LEU A 5 -4.900 15.890 -6.992 1.00 0.00 C ATOM 0 H LEU A 5 -7.485 12.714 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.686 13.466 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.889 15.574 -8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.149 15.075 -7.414 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.751 16.063 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.385 14.518 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.992 13.870 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.556 13.311 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.288 16.161 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.367 15.160 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.103 16.780 -7.588 1.00 0.00 H new ATOM 79 N ASP A 6 -4.743 13.246 -7.824 1.00 0.00 N ATOM 80 CA ASP A 6 -3.359 12.929 -8.003 1.00 0.00 C ATOM 81 C ASP A 6 -2.712 12.722 -6.643 1.00 0.00 C ATOM 82 O ASP A 6 -1.958 11.773 -6.431 1.00 0.00 O ATOM 83 CB ASP A 6 -2.678 14.054 -8.760 1.00 0.00 C ATOM 84 CG ASP A 6 -1.985 13.574 -10.020 1.00 0.00 C ATOM 85 OD1 ASP A 6 -1.514 12.417 -10.035 1.00 0.00 O ATOM 86 OD2 ASP A 6 -1.916 14.354 -10.993 1.00 0.00 O ATOM 0 H ASP A 6 -4.947 13.654 -6.912 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.256 12.011 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.418 14.810 -9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.948 14.535 -8.109 1.00 0.00 H new ATOM 91 N VAL A 7 -3.024 13.628 -5.726 1.00 0.00 N ATOM 92 CA VAL A 7 -2.501 13.574 -4.375 1.00 0.00 C ATOM 93 C VAL A 7 -3.599 13.362 -3.329 1.00 0.00 C ATOM 94 O VAL A 7 -4.096 14.326 -2.747 1.00 0.00 O ATOM 95 CB VAL A 7 -1.733 14.862 -4.030 1.00 0.00 C ATOM 96 CG1 VAL A 7 -0.552 15.036 -4.969 1.00 0.00 C ATOM 97 CG2 VAL A 7 -2.652 16.077 -4.093 1.00 0.00 C ATOM 0 H VAL A 7 -3.645 14.418 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.827 12.718 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.359 14.776 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.017 15.951 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.120 14.183 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.910 15.099 -5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.086 16.975 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.061 16.172 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.467 15.954 -3.380 1.00 0.00 H new ATOM 107 N ARG A 8 -3.979 12.114 -3.078 1.00 0.00 N ATOM 108 CA ARG A 8 -5.001 11.831 -2.107 1.00 0.00 C ATOM 109 C ARG A 8 -4.493 11.971 -0.679 1.00 0.00 C ATOM 110 O ARG A 8 -3.306 12.199 -0.442 1.00 0.00 O ATOM 111 CB ARG A 8 -5.523 10.429 -2.317 1.00 0.00 C ATOM 112 CG ARG A 8 -6.649 10.389 -3.304 1.00 0.00 C ATOM 113 CD ARG A 8 -7.305 9.025 -3.332 1.00 0.00 C ATOM 114 NE ARG A 8 -8.741 9.105 -3.575 1.00 0.00 N ATOM 115 CZ ARG A 8 -9.612 9.638 -2.721 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.199 10.143 -1.567 1.00 0.00 N ATOM 117 NH2 ARG A 8 -10.904 9.661 -3.024 1.00 0.00 N ATOM 0 H ARG A 8 -3.589 11.292 -3.538 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.799 12.560 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.712 9.789 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.862 10.022 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.389 11.146 -3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.274 10.636 -4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.841 8.417 -4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.127 8.519 -2.383 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.100 8.730 -4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.208 10.125 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.873 10.550 -0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.227 9.271 -3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.574 10.069 -2.372 1.00 0.00 H new ATOM 131 N THR A 9 -5.409 11.818 0.265 1.00 0.00 N ATOM 132 CA THR A 9 -5.092 11.907 1.668 1.00 0.00 C ATOM 133 C THR A 9 -6.178 11.237 2.496 1.00 0.00 C ATOM 134 O THR A 9 -6.579 11.738 3.547 1.00 0.00 O ATOM 135 CB THR A 9 -4.922 13.356 2.087 1.00 0.00 C ATOM 136 OG1 THR A 9 -4.847 14.207 0.957 1.00 0.00 O ATOM 137 CG2 THR A 9 -3.689 13.596 2.935 1.00 0.00 C ATOM 0 H THR A 9 -6.392 11.629 0.072 1.00 0.00 H new ATOM 0 HA THR A 9 -4.150 11.388 1.844 1.00 0.00 H new ATOM 0 HB THR A 9 -5.803 13.584 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.739 15.135 1.253 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.629 14.652 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.750 12.998 3.844 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.800 13.311 2.373 1.00 0.00 H new ATOM 145 N CYS A 10 -6.651 10.098 2.004 1.00 0.00 N ATOM 146 CA CYS A 10 -7.699 9.344 2.681 1.00 0.00 C ATOM 147 C CYS A 10 -7.187 8.762 3.997 1.00 0.00 C ATOM 148 O CYS A 10 -7.365 9.361 5.058 1.00 0.00 O ATOM 149 CB CYS A 10 -8.228 8.223 1.776 1.00 0.00 C ATOM 150 SG CYS A 10 -9.804 8.610 0.938 1.00 0.00 S ATOM 0 H CYS A 10 -6.324 9.675 1.135 1.00 0.00 H new ATOM 0 HA CYS A 10 -8.517 10.029 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.475 7.997 1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.361 7.322 2.374 1.00 0.00 H new ATOM 155 N LEU A 11 -6.564 7.585 3.927 1.00 0.00 N ATOM 156 CA LEU A 11 -6.046 6.927 5.118 1.00 0.00 C ATOM 157 C LEU A 11 -4.588 6.485 4.973 1.00 0.00 C ATOM 158 O LEU A 11 -4.304 5.396 4.452 1.00 0.00 O ATOM 159 CB LEU A 11 -6.912 5.757 5.476 1.00 0.00 C ATOM 160 CG LEU A 11 -7.366 5.765 6.928 1.00 0.00 C ATOM 161 CD1 LEU A 11 -6.339 5.091 7.818 1.00 0.00 C ATOM 162 CD2 LEU A 11 -7.680 7.171 7.450 1.00 0.00 C ATOM 0 H LEU A 11 -6.408 7.072 3.059 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.069 7.663 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.789 5.752 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.365 4.835 5.279 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.297 5.199 6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.685 5.109 8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.203 4.058 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.390 5.621 7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.998 7.110 8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.788 7.793 7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.478 7.611 6.852 1.00 0.00 H new ATOM 174 N PRO A 12 -3.635 7.316 5.446 1.00 0.00 N ATOM 175 CA PRO A 12 -2.216 6.983 5.378 1.00 0.00 C ATOM 176 C PRO A 12 -1.889 5.738 6.186 1.00 0.00 C ATOM 177 O PRO A 12 -2.781 5.055 6.692 1.00 0.00 O ATOM 178 CB PRO A 12 -1.500 8.191 5.993 1.00 0.00 C ATOM 179 CG PRO A 12 -2.511 9.279 6.077 1.00 0.00 C ATOM 180 CD PRO A 12 -3.868 8.622 6.090 1.00 0.00 C ATOM 0 HA PRO A 12 -1.912 6.777 4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.107 7.949 6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.652 8.495 5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.362 9.874 6.978 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.419 9.957 5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.246 8.505 7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.603 9.212 5.543 1.00 0.00 H new ATOM 188 N CYS A 13 -0.600 5.468 6.324 1.00 0.00 N ATOM 189 CA CYS A 13 -0.134 4.326 7.069 1.00 0.00 C ATOM 190 C CYS A 13 1.291 4.539 7.537 1.00 0.00 C ATOM 191 O CYS A 13 1.891 5.583 7.278 1.00 0.00 O ATOM 192 CB CYS A 13 -0.211 3.072 6.213 1.00 0.00 C ATOM 193 SG CYS A 13 -0.507 1.541 7.144 1.00 0.00 S ATOM 0 H CYS A 13 0.144 6.037 5.921 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.775 4.203 7.942 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.008 3.196 5.480 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.721 2.969 5.657 1.00 0.00 H new ATOM 198 N GLY A 14 1.841 3.536 8.203 1.00 0.00 N ATOM 199 CA GLY A 14 3.198 3.633 8.665 1.00 0.00 C ATOM 200 C GLY A 14 3.422 4.758 9.650 1.00 0.00 C ATOM 201 O GLY A 14 2.665 4.935 10.604 1.00 0.00 O ATOM 0 H GLY A 14 1.369 2.661 8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.482 2.690 9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.856 3.775 7.808 1.00 0.00 H new ATOM 205 N PRO A 15 4.500 5.506 9.438 1.00 0.00 N ATOM 206 CA PRO A 15 4.919 6.612 10.287 1.00 0.00 C ATOM 207 C PRO A 15 4.365 7.958 9.821 1.00 0.00 C ATOM 208 O PRO A 15 4.889 8.565 8.887 1.00 0.00 O ATOM 209 CB PRO A 15 6.427 6.533 10.089 1.00 0.00 C ATOM 210 CG PRO A 15 6.558 6.256 8.640 1.00 0.00 C ATOM 211 CD PRO A 15 5.448 5.290 8.338 1.00 0.00 C ATOM 0 HA PRO A 15 4.575 6.542 11.319 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.920 7.464 10.368 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.873 5.743 10.693 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.461 7.168 8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.532 5.827 8.405 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.992 5.492 7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.807 4.261 8.313 1.00 0.00 H new ATOM 219 N GLY A 16 3.300 8.416 10.474 1.00 0.00 N ATOM 220 CA GLY A 16 2.691 9.682 10.106 1.00 0.00 C ATOM 221 C GLY A 16 1.689 9.523 8.980 1.00 0.00 C ATOM 222 O GLY A 16 0.483 9.657 9.185 1.00 0.00 O ATOM 0 H GLY A 16 2.848 7.933 11.251 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.194 10.112 10.976 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.468 10.384 9.804 1.00 0.00 H new ATOM 226 N GLY A 17 2.194 9.209 7.793 1.00 0.00 N ATOM 227 CA GLY A 17 1.345 9.003 6.645 1.00 0.00 C ATOM 228 C GLY A 17 2.124 8.710 5.390 1.00 0.00 C ATOM 229 O GLY A 17 1.707 9.050 4.283 1.00 0.00 O ATOM 0 H GLY A 17 3.190 9.093 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.664 8.176 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.732 9.890 6.488 1.00 0.00 H new ATOM 233 N LYS A 18 3.254 8.066 5.579 1.00 0.00 N ATOM 234 CA LYS A 18 4.126 7.691 4.499 1.00 0.00 C ATOM 235 C LYS A 18 3.484 6.590 3.680 1.00 0.00 C ATOM 236 O LYS A 18 3.610 6.538 2.457 1.00 0.00 O ATOM 237 CB LYS A 18 5.445 7.208 5.085 1.00 0.00 C ATOM 238 CG LYS A 18 6.557 8.228 5.065 1.00 0.00 C ATOM 239 CD LYS A 18 6.011 9.618 5.252 1.00 0.00 C ATOM 240 CE LYS A 18 7.117 10.661 5.285 1.00 0.00 C ATOM 241 NZ LYS A 18 7.378 11.239 3.939 1.00 0.00 N ATOM 0 H LYS A 18 3.593 7.787 6.499 1.00 0.00 H new ATOM 0 HA LYS A 18 4.305 8.547 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.276 6.896 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.770 6.326 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.275 8.005 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.095 8.168 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.319 9.848 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.442 9.663 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.843 11.459 5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.031 10.208 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.398 11.409 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.055 10.575 3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.864 12.138 3.842 1.00 0.00 H new ATOM 255 N GLY A 19 2.784 5.726 4.385 1.00 0.00 N ATOM 256 CA GLY A 19 2.094 4.629 3.767 1.00 0.00 C ATOM 257 C GLY A 19 0.591 4.838 3.749 1.00 0.00 C ATOM 258 O GLY A 19 0.102 5.911 4.099 1.00 0.00 O ATOM 0 H GLY A 19 2.682 5.770 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.454 4.503 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.325 3.708 4.302 1.00 0.00 H new ATOM 262 N ARG A 20 -0.138 3.813 3.337 1.00 0.00 N ATOM 263 CA ARG A 20 -1.583 3.872 3.264 1.00 0.00 C ATOM 264 C ARG A 20 -2.157 2.462 3.152 1.00 0.00 C ATOM 265 O ARG A 20 -1.409 1.486 3.084 1.00 0.00 O ATOM 266 CB ARG A 20 -1.993 4.719 2.066 1.00 0.00 C ATOM 267 CG ARG A 20 -1.700 4.053 0.742 1.00 0.00 C ATOM 268 CD ARG A 20 -2.873 4.180 -0.212 1.00 0.00 C ATOM 269 NE ARG A 20 -2.663 5.241 -1.191 1.00 0.00 N ATOM 270 CZ ARG A 20 -1.982 5.083 -2.322 1.00 0.00 C ATOM 271 NH1 ARG A 20 -1.429 3.913 -2.616 1.00 0.00 N ATOM 272 NH2 ARG A 20 -1.848 6.101 -3.161 1.00 0.00 N ATOM 0 H ARG A 20 0.258 2.919 3.045 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.978 4.330 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.059 4.935 2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.471 5.675 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.814 4.504 0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.474 2.999 0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.025 3.233 -0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.782 4.383 0.354 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.063 6.159 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.525 3.127 -1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.908 3.799 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.267 7.004 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.326 5.981 -4.029 1.00 0.00 H new ATOM 286 N CYS A 21 -3.475 2.355 3.091 1.00 0.00 N ATOM 287 CA CYS A 21 -4.121 1.064 2.943 1.00 0.00 C ATOM 288 C CYS A 21 -3.987 0.588 1.499 1.00 0.00 C ATOM 289 O CYS A 21 -3.815 1.405 0.594 1.00 0.00 O ATOM 290 CB CYS A 21 -5.581 1.191 3.322 1.00 0.00 C ATOM 291 SG CYS A 21 -5.895 1.123 5.117 1.00 0.00 S ATOM 0 H CYS A 21 -4.116 3.147 3.142 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.645 0.334 3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.965 2.134 2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.142 0.393 2.836 1.00 0.00 H new ATOM 296 N PHE A 22 -4.041 -0.725 1.275 1.00 0.00 N ATOM 297 CA PHE A 22 -3.888 -1.256 -0.084 1.00 0.00 C ATOM 298 C PHE A 22 -4.970 -2.266 -0.468 1.00 0.00 C ATOM 299 O PHE A 22 -5.484 -2.224 -1.586 1.00 0.00 O ATOM 300 CB PHE A 22 -2.507 -1.891 -0.235 1.00 0.00 C ATOM 301 CG PHE A 22 -1.477 -0.881 -0.630 1.00 0.00 C ATOM 302 CD1 PHE A 22 -1.156 0.161 0.225 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.848 -0.954 -1.861 1.00 0.00 C ATOM 304 CE1 PHE A 22 -0.224 1.108 -0.142 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.086 -0.009 -2.231 1.00 0.00 C ATOM 306 CZ PHE A 22 0.398 1.023 -1.371 1.00 0.00 C ATOM 0 H PHE A 22 -4.186 -1.429 1.998 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.997 -0.412 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.216 -2.359 0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.549 -2.681 -0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.640 0.232 1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.091 -1.759 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.019 1.916 0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.572 -0.077 -3.193 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.129 1.764 -1.659 1.00 0.00 H new ATOM 316 N GLY A 23 -5.310 -3.180 0.437 1.00 0.00 N ATOM 317 CA GLY A 23 -6.316 -4.178 0.114 1.00 0.00 C ATOM 318 C GLY A 23 -6.974 -4.814 1.327 1.00 0.00 C ATOM 319 O GLY A 23 -7.852 -4.207 1.940 1.00 0.00 O ATOM 0 H GLY A 23 -4.914 -3.248 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.087 -3.715 -0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.855 -4.961 -0.488 1.00 0.00 H new ATOM 323 N PRO A 24 -6.596 -6.060 1.683 1.00 0.00 N ATOM 324 CA PRO A 24 -7.183 -6.778 2.805 1.00 0.00 C ATOM 325 C PRO A 24 -6.339 -6.691 4.069 1.00 0.00 C ATOM 326 O PRO A 24 -5.305 -7.350 4.176 1.00 0.00 O ATOM 327 CB PRO A 24 -7.189 -8.204 2.269 1.00 0.00 C ATOM 328 CG PRO A 24 -5.932 -8.304 1.461 1.00 0.00 C ATOM 329 CD PRO A 24 -5.584 -6.899 1.007 1.00 0.00 C ATOM 0 HA PRO A 24 -8.155 -6.385 3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.199 -8.933 3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.071 -8.395 1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.124 -8.728 2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.076 -8.962 0.604 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.571 -6.621 1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.640 -6.801 -0.077 1.00 0.00 H new ATOM 337 N SER A 25 -6.777 -5.875 5.027 1.00 0.00 N ATOM 338 CA SER A 25 -6.041 -5.717 6.280 1.00 0.00 C ATOM 339 C SER A 25 -4.566 -5.468 6.001 1.00 0.00 C ATOM 340 O SER A 25 -3.704 -5.822 6.805 1.00 0.00 O ATOM 341 CB SER A 25 -6.180 -6.977 7.137 1.00 0.00 C ATOM 342 OG SER A 25 -6.343 -6.650 8.505 1.00 0.00 O ATOM 0 H SER A 25 -7.629 -5.318 4.961 1.00 0.00 H new ATOM 0 HA SER A 25 -6.458 -4.863 6.814 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.035 -7.560 6.795 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.297 -7.604 7.013 1.00 0.00 H new ATOM 0 HG SER A 25 -6.431 -7.473 9.030 1.00 0.00 H new ATOM 348 N ILE A 26 -4.279 -4.900 4.838 1.00 0.00 N ATOM 349 CA ILE A 26 -2.907 -4.664 4.438 1.00 0.00 C ATOM 350 C ILE A 26 -2.554 -3.184 4.332 1.00 0.00 C ATOM 351 O ILE A 26 -3.419 -2.307 4.278 1.00 0.00 O ATOM 352 CB ILE A 26 -2.625 -5.349 3.091 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.178 -5.784 2.993 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.945 -4.417 1.945 1.00 0.00 C ATOM 355 CD1 ILE A 26 -1.021 -7.067 2.202 1.00 0.00 C ATOM 0 H ILE A 26 -4.978 -4.597 4.160 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.282 -5.089 5.224 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.263 -6.231 3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.594 -4.994 2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.773 -5.925 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.739 -4.919 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.998 -4.138 1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.329 -3.521 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.033 -7.341 2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.583 -7.865 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.400 -6.920 1.191 1.00 0.00 H new ATOM 367 N CYS A 27 -1.254 -2.947 4.282 1.00 0.00 N ATOM 368 CA CYS A 27 -0.687 -1.627 4.169 1.00 0.00 C ATOM 369 C CYS A 27 0.651 -1.741 3.454 1.00 0.00 C ATOM 370 O CYS A 27 1.390 -2.702 3.669 1.00 0.00 O ATOM 371 CB CYS A 27 -0.520 -1.027 5.549 1.00 0.00 C ATOM 372 SG CYS A 27 -1.585 0.414 5.856 1.00 0.00 S ATOM 0 H CYS A 27 -0.554 -3.688 4.320 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.344 -0.972 3.596 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.735 -1.791 6.296 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.521 -0.733 5.684 1.00 0.00 H new ATOM 377 N CYS A 28 0.957 -0.793 2.584 1.00 0.00 N ATOM 378 CA CYS A 28 2.185 -0.864 1.832 1.00 0.00 C ATOM 379 C CYS A 28 2.763 0.513 1.560 1.00 0.00 C ATOM 380 O CYS A 28 2.291 1.212 0.663 1.00 0.00 O ATOM 381 CB CYS A 28 1.898 -1.581 0.508 1.00 0.00 C ATOM 382 SG CYS A 28 3.008 -2.967 0.103 1.00 0.00 S ATOM 0 H CYS A 28 0.377 0.022 2.387 1.00 0.00 H new ATOM 0 HA CYS A 28 2.924 -1.412 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.874 -1.955 0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.951 -0.850 -0.299 1.00 0.00 H new ATOM 387 N GLY A 29 3.783 0.916 2.308 1.00 0.00 N ATOM 388 CA GLY A 29 4.368 2.166 2.061 1.00 0.00 C ATOM 389 C GLY A 29 5.455 2.033 1.016 1.00 0.00 C ATOM 390 O GLY A 29 6.465 1.377 1.269 1.00 0.00 O ATOM 0 H GLY A 29 4.196 0.382 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.609 2.871 1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.786 2.569 2.983 1.00 0.00 H new ATOM 394 N ASP A 30 5.275 2.620 -0.163 1.00 0.00 N ATOM 395 CA ASP A 30 6.294 2.510 -1.202 1.00 0.00 C ATOM 396 C ASP A 30 7.582 3.067 -0.628 1.00 0.00 C ATOM 397 O ASP A 30 8.593 2.370 -0.536 1.00 0.00 O ATOM 398 CB ASP A 30 5.886 3.298 -2.449 1.00 0.00 C ATOM 399 CG ASP A 30 6.772 2.989 -3.641 1.00 0.00 C ATOM 400 OD1 ASP A 30 8.008 2.935 -3.465 1.00 0.00 O ATOM 401 OD2 ASP A 30 6.230 2.799 -4.750 1.00 0.00 O ATOM 0 H ASP A 30 4.452 3.165 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 30 6.419 1.469 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.851 3.067 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.931 4.365 -2.233 1.00 0.00 H new ATOM 406 N GLU A 31 7.502 4.286 -0.140 1.00 0.00 N ATOM 407 CA GLU A 31 8.606 4.902 0.545 1.00 0.00 C ATOM 408 C GLU A 31 8.582 4.442 2.003 1.00 0.00 C ATOM 409 O GLU A 31 9.158 5.089 2.877 1.00 0.00 O ATOM 410 CB GLU A 31 8.457 6.418 0.501 1.00 0.00 C ATOM 411 CG GLU A 31 7.172 6.912 1.158 1.00 0.00 C ATOM 412 CD GLU A 31 7.348 8.262 1.819 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.486 8.579 2.226 1.00 0.00 O ATOM 414 OE2 GLU A 31 6.351 9.005 1.931 1.00 0.00 O ATOM 0 H GLU A 31 6.670 4.872 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 31 9.544 4.619 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.312 6.876 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.478 6.749 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.384 6.977 0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.844 6.186 1.902 1.00 0.00 H new ATOM 421 N LEU A 32 7.824 3.371 2.268 1.00 0.00 N ATOM 422 CA LEU A 32 7.629 2.900 3.627 1.00 0.00 C ATOM 423 C LEU A 32 7.364 1.395 3.728 1.00 0.00 C ATOM 424 O LEU A 32 6.522 0.963 4.507 1.00 0.00 O ATOM 425 CB LEU A 32 6.463 3.703 4.186 1.00 0.00 C ATOM 426 CG LEU A 32 6.038 3.451 5.627 1.00 0.00 C ATOM 427 CD1 LEU A 32 4.733 2.688 5.619 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.102 2.716 6.443 1.00 0.00 C ATOM 0 H LEU A 32 7.341 2.822 1.556 1.00 0.00 H new ATOM 0 HA LEU A 32 8.545 3.049 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.712 4.760 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.598 3.522 3.548 1.00 0.00 H new ATOM 0 HG LEU A 32 5.907 4.415 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.415 2.500 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.972 3.275 5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.870 1.739 5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.741 2.566 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.308 1.749 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.016 3.309 6.466 1.00 0.00 H new ATOM 440 N GLY A 33 8.103 0.607 2.951 1.00 0.00 N ATOM 441 CA GLY A 33 7.966 -0.849 2.978 1.00 0.00 C ATOM 442 C GLY A 33 6.537 -1.342 3.094 1.00 0.00 C ATOM 443 O GLY A 33 5.596 -0.578 2.900 1.00 0.00 O ATOM 0 H GLY A 33 8.803 0.951 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.407 -1.260 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.542 -1.240 3.817 1.00 0.00 H new ATOM 447 N CYS A 34 6.366 -2.636 3.377 1.00 0.00 N ATOM 448 CA CYS A 34 5.027 -3.211 3.464 1.00 0.00 C ATOM 449 C CYS A 34 4.789 -4.016 4.728 1.00 0.00 C ATOM 450 O CYS A 34 5.601 -4.853 5.119 1.00 0.00 O ATOM 451 CB CYS A 34 4.758 -4.112 2.267 1.00 0.00 C ATOM 452 SG CYS A 34 3.014 -4.126 1.761 1.00 0.00 S ATOM 0 H CYS A 34 7.127 -3.294 3.547 1.00 0.00 H new ATOM 0 HA CYS A 34 4.346 -2.360 3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.371 -3.783 1.428 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.068 -5.129 2.509 1.00 0.00 H new ATOM 457 N PHE A 35 3.637 -3.762 5.339 1.00 0.00 N ATOM 458 CA PHE A 35 3.213 -4.461 6.545 1.00 0.00 C ATOM 459 C PHE A 35 1.767 -4.924 6.383 1.00 0.00 C ATOM 460 O PHE A 35 0.887 -4.108 6.124 1.00 0.00 O ATOM 461 CB PHE A 35 3.328 -3.550 7.772 1.00 0.00 C ATOM 462 CG PHE A 35 4.452 -2.558 7.701 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.509 -1.635 6.672 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.453 -2.554 8.660 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.537 -0.728 6.594 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.491 -1.640 8.585 1.00 0.00 C ATOM 467 CZ PHE A 35 6.531 -0.726 7.546 1.00 0.00 C ATOM 0 H PHE A 35 2.970 -3.064 5.011 1.00 0.00 H new ATOM 0 HA PHE A 35 3.863 -5.323 6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.390 -3.010 7.898 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.461 -4.170 8.659 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.734 -1.628 5.920 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.423 -3.268 9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.566 -0.015 5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.268 -1.640 9.336 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.340 -0.013 7.483 1.00 0.00 H new ATOM 477 N VAL A 36 1.506 -6.215 6.550 1.00 0.00 N ATOM 478 CA VAL A 36 0.138 -6.709 6.427 1.00 0.00 C ATOM 479 C VAL A 36 -0.522 -6.759 7.790 1.00 0.00 C ATOM 480 O VAL A 36 -0.273 -7.665 8.585 1.00 0.00 O ATOM 481 CB VAL A 36 0.062 -8.102 5.775 1.00 0.00 C ATOM 482 CG1 VAL A 36 -1.370 -8.415 5.337 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.020 -8.191 4.598 1.00 0.00 C ATOM 0 H VAL A 36 2.205 -6.926 6.766 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.388 -6.012 5.775 1.00 0.00 H new ATOM 0 HB VAL A 36 0.360 -8.846 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.402 -9.403 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.029 -8.396 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.701 -7.669 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.954 -9.182 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.756 -7.438 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.039 -8.017 4.944 1.00 0.00 H new ATOM 493 N GLY A 37 -1.354 -5.765 8.056 1.00 0.00 N ATOM 494 CA GLY A 37 -2.029 -5.691 9.340 1.00 0.00 C ATOM 495 C GLY A 37 -1.042 -5.690 10.497 1.00 0.00 C ATOM 496 O GLY A 37 -1.373 -6.088 11.614 1.00 0.00 O ATOM 0 H GLY A 37 -1.576 -5.008 7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.637 -4.787 9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.709 -6.537 9.443 1.00 0.00 H new ATOM 500 N THR A 38 0.175 -5.244 10.209 1.00 0.00 N ATOM 501 CA THR A 38 1.244 -5.168 11.196 1.00 0.00 C ATOM 502 C THR A 38 1.174 -3.833 11.930 1.00 0.00 C ATOM 503 O THR A 38 0.389 -2.962 11.557 1.00 0.00 O ATOM 504 CB THR A 38 2.589 -5.301 10.479 1.00 0.00 C ATOM 505 OG1 THR A 38 2.535 -6.330 9.505 1.00 0.00 O ATOM 506 CG2 THR A 38 3.769 -5.587 11.385 1.00 0.00 C ATOM 0 H THR A 38 0.449 -4.924 9.280 1.00 0.00 H new ATOM 0 HA THR A 38 1.135 -5.973 11.923 1.00 0.00 H new ATOM 0 HB THR A 38 2.753 -4.322 10.030 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.403 -6.400 9.055 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.677 -5.664 10.787 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.878 -4.778 12.107 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.602 -6.525 11.914 1.00 0.00 H new ATOM 514 N ALA A 39 2.000 -3.660 12.959 1.00 0.00 N ATOM 515 CA ALA A 39 2.024 -2.413 13.719 1.00 0.00 C ATOM 516 C ALA A 39 1.954 -1.198 12.793 1.00 0.00 C ATOM 517 O ALA A 39 1.101 -0.336 12.950 1.00 0.00 O ATOM 518 CB ALA A 39 3.273 -2.348 14.587 1.00 0.00 C ATOM 0 H ALA A 39 2.660 -4.366 13.285 1.00 0.00 H new ATOM 0 HA ALA A 39 1.145 -2.394 14.363 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.278 -1.413 15.148 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.278 -3.188 15.281 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.159 -2.396 13.954 1.00 0.00 H new ATOM 524 N GLU A 40 2.854 -1.141 11.823 1.00 0.00 N ATOM 525 CA GLU A 40 2.888 -0.036 10.870 1.00 0.00 C ATOM 526 C GLU A 40 1.730 -0.111 9.863 1.00 0.00 C ATOM 527 O GLU A 40 1.541 0.800 9.057 1.00 0.00 O ATOM 528 CB GLU A 40 4.226 -0.038 10.137 1.00 0.00 C ATOM 529 CG GLU A 40 5.185 1.047 10.600 1.00 0.00 C ATOM 530 CD GLU A 40 5.804 0.739 11.949 1.00 0.00 C ATOM 531 OE1 GLU A 40 5.094 0.187 12.816 1.00 0.00 O ATOM 532 OE2 GLU A 40 6.999 1.050 12.140 1.00 0.00 O ATOM 0 H GLU A 40 3.574 -1.848 11.673 1.00 0.00 H new ATOM 0 HA GLU A 40 2.773 0.894 11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.701 -1.010 10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.044 0.083 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.976 1.168 9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.654 1.997 10.656 1.00 0.00 H new ATOM 539 N ALA A 41 0.987 -1.216 9.890 1.00 0.00 N ATOM 540 CA ALA A 41 -0.128 -1.432 8.967 1.00 0.00 C ATOM 541 C ALA A 41 -1.498 -1.225 9.612 1.00 0.00 C ATOM 542 O ALA A 41 -2.511 -1.146 8.918 1.00 0.00 O ATOM 543 CB ALA A 41 -0.059 -2.846 8.439 1.00 0.00 C ATOM 0 H ALA A 41 1.138 -1.982 10.546 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.027 -0.694 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.886 -3.018 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.886 -2.993 7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.127 -3.548 9.270 1.00 0.00 H new ATOM 549 N LEU A 42 -1.532 -1.187 10.934 1.00 0.00 N ATOM 550 CA LEU A 42 -2.782 -1.041 11.670 1.00 0.00 C ATOM 551 C LEU A 42 -3.631 0.149 11.225 1.00 0.00 C ATOM 552 O LEU A 42 -4.819 0.200 11.535 1.00 0.00 O ATOM 553 CB LEU A 42 -2.517 -0.965 13.178 1.00 0.00 C ATOM 554 CG LEU A 42 -1.478 0.071 13.647 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.023 0.985 12.513 1.00 0.00 C ATOM 556 CD2 LEU A 42 -2.035 0.897 14.796 1.00 0.00 C ATOM 0 H LEU A 42 -0.703 -1.256 11.525 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.364 -1.934 11.440 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.461 -0.751 13.679 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.193 -1.949 13.516 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.604 -0.482 13.991 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.291 1.698 12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.571 0.386 11.722 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.882 1.524 12.113 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.289 1.624 15.116 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.933 1.419 14.467 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.282 0.240 15.630 1.00 0.00 H new ATOM 568 N ARG A 43 -3.052 1.095 10.500 1.00 0.00 N ATOM 569 CA ARG A 43 -3.817 2.252 10.038 1.00 0.00 C ATOM 570 C ARG A 43 -5.118 1.816 9.363 1.00 0.00 C ATOM 571 O ARG A 43 -6.108 2.556 9.347 1.00 0.00 O ATOM 572 CB ARG A 43 -2.984 3.097 9.080 1.00 0.00 C ATOM 573 CG ARG A 43 -2.641 4.470 9.635 1.00 0.00 C ATOM 574 CD ARG A 43 -1.833 4.365 10.919 1.00 0.00 C ATOM 575 NE ARG A 43 -0.568 5.096 10.836 1.00 0.00 N ATOM 576 CZ ARG A 43 -0.193 6.044 11.695 1.00 0.00 C ATOM 577 NH1 ARG A 43 -0.983 6.398 12.701 1.00 0.00 N ATOM 578 NH2 ARG A 43 0.979 6.646 11.546 1.00 0.00 N ATOM 0 H ARG A 43 -2.071 1.089 10.221 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.070 2.856 10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.061 2.566 8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.529 3.217 8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.075 5.033 8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.559 5.026 9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.422 4.754 11.750 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.631 3.316 11.135 1.00 0.00 H new ATOM 0 HE ARG A 43 0.067 4.865 10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.888 5.943 12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.685 7.125 13.352 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.593 6.384 10.775 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.267 7.371 12.203 1.00 0.00 H new ATOM 592 N CYS A 44 -5.116 0.606 8.817 1.00 0.00 N ATOM 593 CA CYS A 44 -6.292 0.078 8.148 1.00 0.00 C ATOM 594 C CYS A 44 -7.357 -0.352 9.148 1.00 0.00 C ATOM 595 O CYS A 44 -8.423 -0.827 8.759 1.00 0.00 O ATOM 596 CB CYS A 44 -5.912 -1.076 7.225 1.00 0.00 C ATOM 597 SG CYS A 44 -6.372 -0.820 5.476 1.00 0.00 S ATOM 0 H CYS A 44 -4.314 -0.024 8.826 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.718 0.877 7.541 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.835 -1.236 7.286 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.390 -1.987 7.585 1.00 0.00 H new ATOM 602 N GLN A 45 -7.085 -0.154 10.437 1.00 0.00 N ATOM 603 CA GLN A 45 -8.045 -0.483 11.469 1.00 0.00 C ATOM 604 C GLN A 45 -9.356 0.225 11.170 1.00 0.00 C ATOM 605 O GLN A 45 -10.437 -0.260 11.508 1.00 0.00 O ATOM 606 CB GLN A 45 -7.520 -0.041 12.831 1.00 0.00 C ATOM 607 CG GLN A 45 -7.138 -1.192 13.748 1.00 0.00 C ATOM 608 CD GLN A 45 -6.281 -0.746 14.919 1.00 0.00 C ATOM 609 OE1 GLN A 45 -6.536 -1.117 16.065 1.00 0.00 O ATOM 610 NE2 GLN A 45 -5.259 0.055 14.639 1.00 0.00 N ATOM 0 H GLN A 45 -6.207 0.232 10.783 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.204 -1.561 11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.649 0.598 12.684 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.280 0.565 13.323 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.044 -1.667 14.125 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.599 -1.945 13.174 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.083 0.339 13.675 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.651 0.386 15.388 1.00 0.00 H new ATOM 619 N GLU A 46 -9.242 1.381 10.516 1.00 0.00 N ATOM 620 CA GLU A 46 -10.408 2.164 10.150 1.00 0.00 C ATOM 621 C GLU A 46 -11.053 1.596 8.889 1.00 0.00 C ATOM 622 O GLU A 46 -12.220 1.865 8.602 1.00 0.00 O ATOM 623 CB GLU A 46 -10.011 3.630 9.948 1.00 0.00 C ATOM 624 CG GLU A 46 -9.421 3.934 8.583 1.00 0.00 C ATOM 625 CD GLU A 46 -10.482 4.215 7.538 1.00 0.00 C ATOM 626 OE1 GLU A 46 -11.451 4.937 7.853 1.00 0.00 O ATOM 627 OE2 GLU A 46 -10.343 3.713 6.402 1.00 0.00 O ATOM 0 H GLU A 46 -8.352 1.790 10.232 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.139 2.112 10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.890 4.257 10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.287 3.907 10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.757 4.795 8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.812 3.090 8.259 1.00 0.00 H new ATOM 634 N GLU A 47 -10.291 0.789 8.149 1.00 0.00 N ATOM 635 CA GLU A 47 -10.805 0.169 6.933 1.00 0.00 C ATOM 636 C GLU A 47 -11.683 -1.035 7.272 1.00 0.00 C ATOM 637 O GLU A 47 -12.200 -1.709 6.381 1.00 0.00 O ATOM 638 CB GLU A 47 -9.653 -0.260 6.018 1.00 0.00 C ATOM 639 CG GLU A 47 -9.409 0.693 4.860 1.00 0.00 C ATOM 640 CD GLU A 47 -10.419 0.522 3.743 1.00 0.00 C ATOM 641 OE1 GLU A 47 -11.631 0.647 4.015 1.00 0.00 O ATOM 642 OE2 GLU A 47 -9.996 0.263 2.596 1.00 0.00 O ATOM 0 H GLU A 47 -9.324 0.553 8.370 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.412 0.906 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.741 -0.341 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.865 -1.253 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.446 1.719 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.406 0.531 4.466 1.00 0.00 H new ATOM 649 N ASN A 48 -11.852 -1.294 8.569 1.00 0.00 N ATOM 650 CA ASN A 48 -12.661 -2.399 9.034 1.00 0.00 C ATOM 651 C ASN A 48 -14.048 -1.916 9.453 1.00 0.00 C ATOM 652 O ASN A 48 -15.006 -2.687 9.463 1.00 0.00 O ATOM 653 CB ASN A 48 -11.970 -3.091 10.214 1.00 0.00 C ATOM 654 CG ASN A 48 -11.741 -4.568 9.970 1.00 0.00 C ATOM 655 OD1 ASN A 48 -12.689 -5.348 9.881 1.00 0.00 O ATOM 656 ND2 ASN A 48 -10.476 -4.963 9.867 1.00 0.00 N ATOM 0 H ASN A 48 -11.431 -0.742 9.316 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.777 -3.110 8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.013 -2.605 10.405 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.577 -2.964 11.111 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.260 -5.947 9.708 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.721 -4.282 9.947 1.00 0.00 H new ATOM 663 N TYR A 49 -14.144 -0.633 9.794 1.00 0.00 N ATOM 664 CA TYR A 49 -15.409 -0.038 10.223 1.00 0.00 C ATOM 665 C TYR A 49 -16.184 0.531 9.047 1.00 0.00 C ATOM 666 O TYR A 49 -17.190 -0.030 8.613 1.00 0.00 O ATOM 667 CB TYR A 49 -15.141 1.068 11.252 1.00 0.00 C ATOM 668 CG TYR A 49 -14.699 0.569 12.609 1.00 0.00 C ATOM 669 CD1 TYR A 49 -14.503 -0.775 12.829 1.00 0.00 C ATOM 670 CD2 TYR A 49 -14.490 1.445 13.665 1.00 0.00 C ATOM 671 CE1 TYR A 49 -14.109 -1.252 14.064 1.00 0.00 C ATOM 672 CE2 TYR A 49 -14.094 0.984 14.905 1.00 0.00 C ATOM 673 CZ TYR A 49 -13.906 -0.367 15.101 1.00 0.00 C ATOM 674 OH TYR A 49 -13.511 -0.834 16.334 1.00 0.00 O ATOM 0 H TYR A 49 -13.358 0.017 9.782 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.013 -0.824 10.676 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.375 1.736 10.858 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.048 1.660 11.375 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.661 -1.472 12.019 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -14.639 2.504 13.515 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.961 -2.311 14.216 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -13.933 1.678 15.716 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.411 -0.081 16.953 1.00 0.00 H new ATOM 684 N LEU A 50 -15.710 1.657 8.559 1.00 0.00 N ATOM 685 CA LEU A 50 -16.334 2.347 7.450 1.00 0.00 C ATOM 686 C LEU A 50 -15.547 2.147 6.157 1.00 0.00 C ATOM 687 O LEU A 50 -14.602 2.885 5.880 1.00 0.00 O ATOM 688 CB LEU A 50 -16.452 3.842 7.761 1.00 0.00 C ATOM 689 CG LEU A 50 -17.838 4.449 7.528 1.00 0.00 C ATOM 690 CD1 LEU A 50 -18.741 4.189 8.723 1.00 0.00 C ATOM 691 CD2 LEU A 50 -17.726 5.942 7.257 1.00 0.00 C ATOM 0 H LEU A 50 -14.878 2.122 8.922 1.00 0.00 H new ATOM 0 HA LEU A 50 -17.329 1.925 7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -16.173 4.003 8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -15.729 4.382 7.150 1.00 0.00 H new ATOM 0 HG LEU A 50 -18.281 3.973 6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -19.722 4.627 8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -18.846 3.114 8.873 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -18.303 4.638 9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -18.720 6.358 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -17.263 6.433 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -17.114 6.106 6.370 1.00 0.00 H new ATOM 703 N PRO A 51 -15.922 1.145 5.340 1.00 0.00 N ATOM 704 CA PRO A 51 -15.241 0.865 4.073 1.00 0.00 C ATOM 705 C PRO A 51 -14.995 2.130 3.259 1.00 0.00 C ATOM 706 O PRO A 51 -15.932 2.731 2.737 1.00 0.00 O ATOM 707 CB PRO A 51 -16.227 -0.051 3.357 1.00 0.00 C ATOM 708 CG PRO A 51 -16.868 -0.797 4.468 1.00 0.00 C ATOM 709 CD PRO A 51 -17.036 0.206 5.577 1.00 0.00 C ATOM 0 HA PRO A 51 -14.253 0.428 4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -16.957 0.516 2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.722 -0.721 2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -17.830 -1.209 4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.249 -1.636 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.004 0.706 5.527 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -16.969 -0.262 6.559 1.00 0.00 H new ATOM 717 N SER A 52 -13.733 2.532 3.163 1.00 0.00 N ATOM 718 CA SER A 52 -13.370 3.732 2.417 1.00 0.00 C ATOM 719 C SER A 52 -12.855 3.373 1.025 1.00 0.00 C ATOM 720 O SER A 52 -11.680 3.044 0.858 1.00 0.00 O ATOM 721 CB SER A 52 -12.303 4.522 3.178 1.00 0.00 C ATOM 722 OG SER A 52 -12.377 4.268 4.570 1.00 0.00 O ATOM 0 H SER A 52 -12.945 2.046 3.591 1.00 0.00 H new ATOM 0 HA SER A 52 -14.263 4.347 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.314 4.253 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.434 5.588 2.992 1.00 0.00 H new ATOM 0 HG SER A 52 -11.476 4.107 4.921 1.00 0.00 H new ATOM 728 N PRO A 53 -13.723 3.439 -0.002 1.00 0.00 N ATOM 729 CA PRO A 53 -13.337 3.125 -1.374 1.00 0.00 C ATOM 730 C PRO A 53 -12.628 4.298 -2.033 1.00 0.00 C ATOM 731 O PRO A 53 -13.191 4.984 -2.885 1.00 0.00 O ATOM 732 CB PRO A 53 -14.677 2.859 -2.051 1.00 0.00 C ATOM 733 CG PRO A 53 -15.626 3.759 -1.338 1.00 0.00 C ATOM 734 CD PRO A 53 -15.144 3.829 0.090 1.00 0.00 C ATOM 0 HA PRO A 53 -12.640 2.289 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -14.637 3.084 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.971 1.814 -1.957 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -15.641 4.749 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -16.643 3.370 -1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.258 4.831 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.704 3.153 0.736 1.00 0.00 H new ATOM 742 N CYS A 54 -11.391 4.529 -1.613 1.00 0.00 N ATOM 743 CA CYS A 54 -10.591 5.627 -2.139 1.00 0.00 C ATOM 744 C CYS A 54 -9.109 5.307 -2.023 1.00 0.00 C ATOM 745 O CYS A 54 -8.737 4.223 -1.578 1.00 0.00 O ATOM 746 CB CYS A 54 -10.892 6.913 -1.362 1.00 0.00 C ATOM 747 SG CYS A 54 -10.559 6.790 0.430 1.00 0.00 S ATOM 0 H CYS A 54 -10.918 3.967 -0.905 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.846 5.766 -3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.295 7.725 -1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -11.939 7.179 -1.510 1.00 0.00 H new ATOM 752 N GLN A 55 -8.270 6.257 -2.423 1.00 0.00 N ATOM 753 CA GLN A 55 -6.820 6.082 -2.350 1.00 0.00 C ATOM 754 C GLN A 55 -6.388 4.742 -2.940 1.00 0.00 C ATOM 755 O GLN A 55 -7.057 4.198 -3.818 1.00 0.00 O ATOM 756 CB GLN A 55 -6.340 6.220 -0.893 1.00 0.00 C ATOM 757 CG GLN A 55 -6.536 4.971 -0.039 1.00 0.00 C ATOM 758 CD GLN A 55 -6.592 5.274 1.445 1.00 0.00 C ATOM 759 OE1 GLN A 55 -5.586 5.634 2.056 1.00 0.00 O ATOM 760 NE2 GLN A 55 -7.771 5.120 2.034 1.00 0.00 N ATOM 0 H GLN A 55 -8.567 7.156 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 55 -6.355 6.866 -2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.281 6.480 -0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.870 7.050 -0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.459 4.474 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.721 4.274 -0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.579 4.820 1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.870 5.302 3.033 1.00 0.00 H new ATOM 769 N SER A 56 -5.261 4.218 -2.461 1.00 0.00 N ATOM 770 CA SER A 56 -4.737 2.954 -2.951 1.00 0.00 C ATOM 771 C SER A 56 -4.149 3.148 -4.338 1.00 0.00 C ATOM 772 O SER A 56 -4.790 3.719 -5.220 1.00 0.00 O ATOM 773 CB SER A 56 -5.829 1.878 -2.973 1.00 0.00 C ATOM 774 OG SER A 56 -6.571 1.886 -1.765 1.00 0.00 O ATOM 0 H SER A 56 -4.696 4.654 -1.733 1.00 0.00 H new ATOM 0 HA SER A 56 -3.952 2.615 -2.275 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.498 2.050 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.376 0.897 -3.120 1.00 0.00 H new ATOM 0 HG SER A 56 -7.263 1.193 -1.802 1.00 0.00 H new ATOM 780 N GLY A 57 -2.923 2.683 -4.523 1.00 0.00 N ATOM 781 CA GLY A 57 -2.267 2.826 -5.808 1.00 0.00 C ATOM 782 C GLY A 57 -1.302 1.706 -6.056 1.00 0.00 C ATOM 783 O GLY A 57 -0.242 1.640 -5.434 1.00 0.00 O ATOM 0 H GLY A 57 -2.370 2.210 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.015 2.846 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.739 3.779 -5.845 1.00 0.00 H new ATOM 787 N GLN A 58 -1.687 0.793 -6.931 1.00 0.00 N ATOM 788 CA GLN A 58 -0.867 -0.359 -7.208 1.00 0.00 C ATOM 789 C GLN A 58 -0.389 -0.426 -8.661 1.00 0.00 C ATOM 790 O GLN A 58 -1.022 -1.057 -9.504 1.00 0.00 O ATOM 791 CB GLN A 58 -1.691 -1.585 -6.856 1.00 0.00 C ATOM 792 CG GLN A 58 -1.386 -2.115 -5.469 1.00 0.00 C ATOM 793 CD GLN A 58 -0.734 -3.483 -5.492 1.00 0.00 C ATOM 794 OE1 GLN A 58 0.284 -3.712 -4.838 1.00 0.00 O ATOM 795 NE2 GLN A 58 -1.323 -4.406 -6.244 1.00 0.00 N ATOM 0 H GLN A 58 -2.560 0.832 -7.457 1.00 0.00 H new ATOM 0 HA GLN A 58 0.043 -0.300 -6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.750 -1.337 -6.921 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.501 -2.368 -7.590 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.730 -1.414 -4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.311 -2.168 -4.894 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.165 -4.174 -6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.933 -5.347 -6.295 1.00 0.00 H new ATOM 804 N LYS A 59 0.764 0.192 -8.922 1.00 0.00 N ATOM 805 CA LYS A 59 1.384 0.184 -10.236 1.00 0.00 C ATOM 806 C LYS A 59 1.838 -1.242 -10.595 1.00 0.00 C ATOM 807 O LYS A 59 2.776 -1.766 -10.006 1.00 0.00 O ATOM 808 CB LYS A 59 2.557 1.164 -10.241 1.00 0.00 C ATOM 809 CG LYS A 59 3.288 1.263 -8.912 1.00 0.00 C ATOM 810 CD LYS A 59 2.837 2.497 -8.144 1.00 0.00 C ATOM 811 CE LYS A 59 2.776 2.248 -6.642 1.00 0.00 C ATOM 812 NZ LYS A 59 3.935 1.449 -6.155 1.00 0.00 N ATOM 0 H LYS A 59 1.291 0.713 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 59 0.665 0.501 -10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.266 0.862 -11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.190 2.153 -10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.098 0.369 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.363 1.308 -9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.522 3.320 -8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.854 2.806 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.750 3.203 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.850 1.726 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.905 1.391 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.889 0.491 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.821 1.907 -6.451 1.00 0.00 H new ATOM 826 N PRO A 60 1.132 -1.905 -11.528 1.00 0.00 N ATOM 827 CA PRO A 60 1.402 -3.297 -11.928 1.00 0.00 C ATOM 828 C PRO A 60 2.864 -3.716 -12.092 1.00 0.00 C ATOM 829 O PRO A 60 3.749 -2.907 -12.369 1.00 0.00 O ATOM 830 CB PRO A 60 0.685 -3.403 -13.267 1.00 0.00 C ATOM 831 CG PRO A 60 -0.490 -2.504 -13.124 1.00 0.00 C ATOM 832 CD PRO A 60 -0.046 -1.368 -12.240 1.00 0.00 C ATOM 0 HA PRO A 60 1.067 -3.965 -11.134 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.328 -3.090 -14.089 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.379 -4.428 -13.475 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.818 -2.135 -14.096 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.334 -3.034 -12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.210 -0.484 -12.825 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.832 -1.073 -11.545 1.00 0.00 H new ATOM 840 N CYS A 61 3.062 -5.040 -11.972 1.00 0.00 N ATOM 841 CA CYS A 61 4.355 -5.690 -12.148 1.00 0.00 C ATOM 842 C CYS A 61 4.173 -7.198 -12.321 1.00 0.00 C ATOM 843 O CYS A 61 3.196 -7.791 -11.843 1.00 0.00 O ATOM 844 CB CYS A 61 5.331 -5.425 -10.997 1.00 0.00 C ATOM 845 SG CYS A 61 4.572 -4.882 -9.435 1.00 0.00 S ATOM 0 H CYS A 61 2.311 -5.692 -11.746 1.00 0.00 H new ATOM 0 HA CYS A 61 4.792 -5.255 -13.047 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.898 -6.336 -10.808 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.045 -4.666 -11.317 1.00 0.00 H new ATOM 850 N GLY A 62 5.126 -7.808 -13.013 1.00 0.00 N ATOM 851 CA GLY A 62 5.080 -9.232 -13.271 1.00 0.00 C ATOM 852 C GLY A 62 5.227 -10.092 -12.026 1.00 0.00 C ATOM 853 O GLY A 62 5.271 -11.318 -12.126 1.00 0.00 O ATOM 0 H GLY A 62 5.940 -7.334 -13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.134 -9.472 -13.756 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.873 -9.489 -13.973 1.00 0.00 H new ATOM 857 N SER A 63 5.320 -9.469 -10.856 1.00 0.00 N ATOM 858 CA SER A 63 5.476 -10.210 -9.626 1.00 0.00 C ATOM 859 C SER A 63 4.124 -10.573 -9.014 1.00 0.00 C ATOM 860 O SER A 63 3.857 -10.281 -7.848 1.00 0.00 O ATOM 861 CB SER A 63 6.316 -9.414 -8.630 1.00 0.00 C ATOM 862 OG SER A 63 6.546 -10.156 -7.445 1.00 0.00 O ATOM 0 H SER A 63 5.289 -8.456 -10.742 1.00 0.00 H new ATOM 0 HA SER A 63 5.993 -11.140 -9.861 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.269 -9.147 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.808 -8.481 -8.385 1.00 0.00 H new ATOM 0 HG SER A 63 6.229 -11.075 -7.568 1.00 0.00 H new ATOM 868 N GLY A 64 3.285 -11.229 -9.810 1.00 0.00 N ATOM 869 CA GLY A 64 1.979 -11.654 -9.345 1.00 0.00 C ATOM 870 C GLY A 64 1.122 -10.536 -8.794 1.00 0.00 C ATOM 871 O GLY A 64 0.313 -10.752 -7.892 1.00 0.00 O ATOM 0 H GLY A 64 3.491 -11.475 -10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.449 -12.130 -10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.110 -12.411 -8.572 1.00 0.00 H new ATOM 875 N GLY A 65 1.285 -9.352 -9.344 1.00 0.00 N ATOM 876 CA GLY A 65 0.502 -8.223 -8.905 1.00 0.00 C ATOM 877 C GLY A 65 1.043 -6.888 -9.313 1.00 0.00 C ATOM 878 O GLY A 65 1.688 -6.751 -10.349 1.00 0.00 O ATOM 0 H GLY A 65 1.949 -9.149 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.509 -8.325 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.426 -8.252 -7.818 1.00 0.00 H new ATOM 882 N ARG A 66 0.761 -5.891 -8.497 1.00 0.00 N ATOM 883 CA ARG A 66 1.207 -4.553 -8.772 1.00 0.00 C ATOM 884 C ARG A 66 2.157 -4.067 -7.698 1.00 0.00 C ATOM 885 O ARG A 66 2.109 -4.518 -6.561 1.00 0.00 O ATOM 886 CB ARG A 66 0.049 -3.572 -8.888 1.00 0.00 C ATOM 887 CG ARG A 66 -1.273 -4.195 -9.325 1.00 0.00 C ATOM 888 CD ARG A 66 -1.111 -5.011 -10.597 1.00 0.00 C ATOM 889 NE ARG A 66 -2.390 -5.357 -11.209 1.00 0.00 N ATOM 890 CZ ARG A 66 -2.506 -6.174 -12.255 1.00 0.00 C ATOM 891 NH1 ARG A 66 -1.425 -6.723 -12.798 1.00 0.00 N ATOM 892 NH2 ARG A 66 -3.702 -6.447 -12.757 1.00 0.00 N ATOM 0 H ARG A 66 0.222 -5.990 -7.637 1.00 0.00 H new ATOM 0 HA ARG A 66 1.723 -4.593 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.095 -3.086 -7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.321 -2.793 -9.600 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.657 -4.833 -8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.011 -3.409 -9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.511 -4.448 -11.312 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.562 -5.925 -10.370 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.239 -4.952 -10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.502 -6.520 -12.414 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.518 -7.348 -13.599 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.536 -6.031 -12.342 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.788 -7.073 -13.558 1.00 0.00 H new ATOM 906 N CYS A 67 3.013 -3.137 -8.076 1.00 0.00 N ATOM 907 CA CYS A 67 3.983 -2.565 -7.170 1.00 0.00 C ATOM 908 C CYS A 67 3.288 -1.825 -6.047 1.00 0.00 C ATOM 909 O CYS A 67 2.107 -1.497 -6.146 1.00 0.00 O ATOM 910 CB CYS A 67 4.923 -1.635 -7.931 1.00 0.00 C ATOM 911 SG CYS A 67 6.330 -1.019 -6.947 1.00 0.00 S ATOM 0 H CYS A 67 3.053 -2.758 -9.022 1.00 0.00 H new ATOM 0 HA CYS A 67 4.572 -3.370 -6.730 1.00 0.00 H new ATOM 0 HB2 CYS A 67 5.308 -2.162 -8.804 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.352 -0.783 -8.300 1.00 0.00 H new ATOM 916 N ALA A 68 4.008 -1.593 -4.965 1.00 0.00 N ATOM 917 CA ALA A 68 3.426 -0.921 -3.824 1.00 0.00 C ATOM 918 C ALA A 68 4.494 -0.325 -2.884 1.00 0.00 C ATOM 919 O ALA A 68 4.906 0.826 -3.040 1.00 0.00 O ATOM 920 CB ALA A 68 2.530 -1.926 -3.105 1.00 0.00 C ATOM 0 H ALA A 68 4.987 -1.858 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 68 2.838 -0.068 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.074 -1.451 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.749 -2.268 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.127 -2.778 -2.780 1.00 0.00 H new ATOM 926 N ALA A 69 4.884 -1.110 -1.893 1.00 0.00 N ATOM 927 CA ALA A 69 5.867 -0.728 -0.882 1.00 0.00 C ATOM 928 C ALA A 69 7.294 -0.714 -1.415 1.00 0.00 C ATOM 929 O ALA A 69 7.509 -0.842 -2.619 1.00 0.00 O ATOM 930 CB ALA A 69 5.777 -1.684 0.284 1.00 0.00 C ATOM 0 H ALA A 69 4.520 -2.054 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 69 5.632 0.290 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.509 -1.404 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.776 -1.641 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.981 -2.698 -0.060 1.00 0.00 H new ATOM 936 N ALA A 70 8.280 -0.558 -0.499 1.00 0.00 N ATOM 937 CA ALA A 70 9.689 -0.551 -0.897 1.00 0.00 C ATOM 938 C ALA A 70 9.941 -1.693 -1.831 1.00 0.00 C ATOM 939 O ALA A 70 10.204 -2.805 -1.378 1.00 0.00 O ATOM 940 CB ALA A 70 10.627 -0.732 0.283 1.00 0.00 C ATOM 0 H ALA A 70 8.120 -0.438 0.501 1.00 0.00 H new ATOM 0 HA ALA A 70 9.881 0.417 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.659 -0.719 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.476 0.079 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.421 -1.686 0.769 1.00 0.00 H new ATOM 946 N GLY A 71 9.801 -1.462 -3.116 1.00 0.00 N ATOM 947 CA GLY A 71 9.975 -2.546 -4.027 1.00 0.00 C ATOM 948 C GLY A 71 9.074 -3.688 -3.642 1.00 0.00 C ATOM 949 O GLY A 71 9.534 -4.776 -3.311 1.00 0.00 O ATOM 0 H GLY A 71 9.574 -0.560 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.749 -2.219 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.015 -2.874 -4.022 1.00 0.00 H new ATOM 953 N ILE A 72 7.785 -3.438 -3.695 1.00 0.00 N ATOM 954 CA ILE A 72 6.807 -4.434 -3.365 1.00 0.00 C ATOM 955 C ILE A 72 5.792 -4.489 -4.474 1.00 0.00 C ATOM 956 O ILE A 72 5.488 -3.485 -5.105 1.00 0.00 O ATOM 957 CB ILE A 72 6.112 -4.171 -1.996 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.025 -4.608 -0.837 1.00 0.00 C ATOM 959 CG2 ILE A 72 4.756 -4.879 -1.893 1.00 0.00 C ATOM 960 CD1 ILE A 72 6.822 -6.037 -0.373 1.00 0.00 C ATOM 0 H ILE A 72 7.392 -2.538 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 72 7.316 -5.392 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 72 5.930 -3.098 -1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.063 -4.485 -1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.861 -3.939 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.308 -4.667 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.097 -4.519 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.898 -5.954 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.508 -6.255 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.795 -6.166 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.016 -6.719 -1.200 1.00 0.00 H new ATOM 972 N CYS A 73 5.297 -5.672 -4.705 1.00 0.00 N ATOM 973 CA CYS A 73 4.326 -5.921 -5.720 1.00 0.00 C ATOM 974 C CYS A 73 3.272 -6.792 -5.066 1.00 0.00 C ATOM 975 O CYS A 73 3.520 -7.957 -4.741 1.00 0.00 O ATOM 976 CB CYS A 73 4.996 -6.575 -6.947 1.00 0.00 C ATOM 977 SG CYS A 73 4.003 -6.587 -8.478 1.00 0.00 S ATOM 0 H CYS A 73 5.566 -6.504 -4.180 1.00 0.00 H new ATOM 0 HA CYS A 73 3.863 -5.012 -6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.932 -6.054 -7.147 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.251 -7.604 -6.693 1.00 0.00 H new ATOM 982 N CYS A 74 2.146 -6.178 -4.742 1.00 0.00 N ATOM 983 CA CYS A 74 1.117 -6.866 -3.994 1.00 0.00 C ATOM 984 C CYS A 74 0.094 -7.619 -4.832 1.00 0.00 C ATOM 985 O CYS A 74 -0.223 -7.256 -5.964 1.00 0.00 O ATOM 986 CB CYS A 74 0.442 -5.876 -3.060 1.00 0.00 C ATOM 987 SG CYS A 74 -0.171 -6.626 -1.523 1.00 0.00 S ATOM 0 H CYS A 74 1.926 -5.212 -4.985 1.00 0.00 H new ATOM 0 HA CYS A 74 1.620 -7.652 -3.431 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.149 -5.084 -2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.391 -5.407 -3.583 1.00 0.00 H new ATOM 992 N SER A 75 -0.413 -8.687 -4.216 1.00 0.00 N ATOM 993 CA SER A 75 -1.406 -9.562 -4.799 1.00 0.00 C ATOM 994 C SER A 75 -2.689 -9.518 -3.966 1.00 0.00 C ATOM 995 O SER A 75 -2.760 -8.787 -2.977 1.00 0.00 O ATOM 996 CB SER A 75 -0.870 -10.996 -4.883 1.00 0.00 C ATOM 997 OG SER A 75 0.494 -11.011 -5.266 1.00 0.00 O ATOM 0 H SER A 75 -0.132 -8.966 -3.276 1.00 0.00 H new ATOM 0 HA SER A 75 -1.630 -9.221 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.985 -11.487 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.459 -11.566 -5.602 1.00 0.00 H new ATOM 0 HG SER A 75 0.562 -11.194 -6.226 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.726 -10.282 -4.349 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.002 -10.296 -3.622 1.00 0.00 C ATOM 1005 C PRO A 76 -4.908 -11.018 -2.277 1.00 0.00 C ATOM 1006 O PRO A 76 -5.824 -10.939 -1.458 1.00 0.00 O ATOM 1007 CB PRO A 76 -5.942 -11.074 -4.556 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.221 -11.183 -5.859 1.00 0.00 C ATOM 1009 CD PRO A 76 -3.763 -11.168 -5.519 1.00 0.00 C ATOM 0 HA PRO A 76 -5.335 -9.285 -3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.168 -12.060 -4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.892 -10.554 -4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.492 -12.101 -6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.478 -10.354 -6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.389 -12.165 -5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.158 -10.784 -6.340 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.802 -11.722 -2.052 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.608 -12.452 -0.798 1.00 0.00 C ATOM 1019 C ASP A 77 -2.581 -11.759 0.095 1.00 0.00 C ATOM 1020 O ASP A 77 -2.659 -11.837 1.322 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.162 -13.888 -1.083 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.177 -14.910 -0.609 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.330 -14.869 -1.086 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -3.818 -15.750 0.243 1.00 0.00 O ATOM 0 H ASP A 77 -3.031 -11.804 -2.714 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.563 -12.468 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.000 -14.010 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.206 -14.074 -0.593 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.621 -11.084 -0.526 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.597 -10.390 0.218 1.00 0.00 C ATOM 1031 C GLY A 78 0.481 -9.817 -0.683 1.00 0.00 C ATOM 1032 O GLY A 78 0.513 -10.108 -1.880 1.00 0.00 O ATOM 0 H GLY A 78 -1.537 -11.007 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.052 -9.584 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.143 -11.076 0.933 1.00 0.00 H new ATOM 1036 N CYS A 79 1.358 -8.991 -0.120 1.00 0.00 N ATOM 1037 CA CYS A 79 2.425 -8.389 -0.902 1.00 0.00 C ATOM 1038 C CYS A 79 3.727 -9.172 -0.797 1.00 0.00 C ATOM 1039 O CYS A 79 3.893 -10.018 0.082 1.00 0.00 O ATOM 1040 CB CYS A 79 2.670 -6.945 -0.470 1.00 0.00 C ATOM 1041 SG CYS A 79 1.161 -5.976 -0.141 1.00 0.00 S ATOM 0 H CYS A 79 1.349 -8.727 0.865 1.00 0.00 H new ATOM 0 HA CYS A 79 2.097 -8.409 -1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.285 -6.950 0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.246 -6.441 -1.247 1.00 0.00 H new ATOM 1046 N GLU A 80 4.655 -8.859 -1.699 1.00 0.00 N ATOM 1047 CA GLU A 80 5.955 -9.498 -1.725 1.00 0.00 C ATOM 1048 C GLU A 80 7.002 -8.554 -2.314 1.00 0.00 C ATOM 1049 O GLU A 80 6.718 -7.821 -3.262 1.00 0.00 O ATOM 1050 CB GLU A 80 5.899 -10.798 -2.529 1.00 0.00 C ATOM 1051 CG GLU A 80 5.661 -10.589 -4.017 1.00 0.00 C ATOM 1052 CD GLU A 80 6.755 -11.197 -4.873 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.940 -10.880 -4.635 1.00 0.00 O ATOM 1054 OE2 GLU A 80 6.428 -11.989 -5.782 1.00 0.00 O ATOM 0 H GLU A 80 4.521 -8.157 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 80 6.240 -9.738 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.835 -11.339 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.105 -11.428 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.702 -11.028 -4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.594 -9.521 -4.224 1.00 0.00 H new ATOM 1061 N GLU A 81 8.211 -8.567 -1.750 1.00 0.00 N ATOM 1062 CA GLU A 81 9.279 -7.712 -2.220 1.00 0.00 C ATOM 1063 C GLU A 81 9.541 -7.959 -3.698 1.00 0.00 C ATOM 1064 O GLU A 81 9.976 -9.041 -4.089 1.00 0.00 O ATOM 1065 CB GLU A 81 10.542 -7.948 -1.383 1.00 0.00 C ATOM 1066 CG GLU A 81 10.733 -9.384 -0.930 1.00 0.00 C ATOM 1067 CD GLU A 81 12.090 -9.952 -1.288 1.00 0.00 C ATOM 1068 OE1 GLU A 81 13.092 -9.539 -0.665 1.00 0.00 O ATOM 1069 OE2 GLU A 81 12.152 -10.812 -2.191 1.00 0.00 O ATOM 0 H GLU A 81 8.466 -9.166 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 81 8.983 -6.669 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.412 -7.645 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.507 -7.304 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.599 -9.437 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.958 -10.005 -1.379 1.00 0.00 H new ATOM 1076 N ASP A 82 9.245 -6.952 -4.516 1.00 0.00 N ATOM 1077 CA ASP A 82 9.411 -7.062 -5.946 1.00 0.00 C ATOM 1078 C ASP A 82 10.730 -6.442 -6.429 1.00 0.00 C ATOM 1079 O ASP A 82 10.922 -5.228 -6.410 1.00 0.00 O ATOM 1080 CB ASP A 82 8.211 -6.433 -6.671 1.00 0.00 C ATOM 1081 CG ASP A 82 8.043 -4.973 -6.360 1.00 0.00 C ATOM 1082 OD1 ASP A 82 8.929 -4.412 -5.702 1.00 0.00 O ATOM 1083 OD2 ASP A 82 7.034 -4.381 -6.798 1.00 0.00 O ATOM 0 H ASP A 82 8.888 -6.050 -4.202 1.00 0.00 H new ATOM 0 HA ASP A 82 9.455 -8.124 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.336 -6.559 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.303 -6.966 -6.391 1.00 0.00 H new ATOM 1088 N PRO A 83 11.653 -7.305 -6.882 1.00 0.00 N ATOM 1089 CA PRO A 83 12.951 -6.912 -7.406 1.00 0.00 C ATOM 1090 C PRO A 83 12.775 -5.951 -8.552 1.00 0.00 C ATOM 1091 O PRO A 83 13.680 -5.225 -8.950 1.00 0.00 O ATOM 1092 CB PRO A 83 13.551 -8.239 -7.888 1.00 0.00 C ATOM 1093 CG PRO A 83 12.862 -9.262 -7.067 1.00 0.00 C ATOM 1094 CD PRO A 83 11.468 -8.738 -6.921 1.00 0.00 C ATOM 0 HA PRO A 83 13.582 -6.405 -6.677 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.373 -8.395 -8.952 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.630 -8.267 -7.738 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.872 -10.237 -7.555 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.345 -9.386 -6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.836 -9.039 -7.756 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.993 -9.107 -6.012 1.00 0.00 H new ATOM 1102 N ALA A 84 11.575 -5.953 -9.057 1.00 0.00 N ATOM 1103 CA ALA A 84 11.193 -5.097 -10.121 1.00 0.00 C ATOM 1104 C ALA A 84 11.073 -3.666 -9.638 1.00 0.00 C ATOM 1105 O ALA A 84 11.196 -2.716 -10.414 1.00 0.00 O ATOM 1106 CB ALA A 84 9.866 -5.590 -10.645 1.00 0.00 C ATOM 0 H ALA A 84 10.828 -6.564 -8.728 1.00 0.00 H new ATOM 0 HA ALA A 84 11.945 -5.113 -10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.540 -4.953 -11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.973 -6.615 -11.000 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.125 -5.559 -9.846 1.00 0.00 H new ATOM 1112 N CYS A 85 10.749 -3.524 -8.358 1.00 0.00 N ATOM 1113 CA CYS A 85 10.519 -2.215 -7.794 1.00 0.00 C ATOM 1114 C CYS A 85 11.553 -1.674 -6.771 1.00 0.00 C ATOM 1115 O CYS A 85 11.649 -0.450 -6.673 1.00 0.00 O ATOM 1116 CB CYS A 85 9.112 -2.146 -7.207 1.00 0.00 C ATOM 1117 SG CYS A 85 7.926 -1.178 -8.191 1.00 0.00 S ATOM 0 H CYS A 85 10.642 -4.298 -7.702 1.00 0.00 H new ATOM 0 HA CYS A 85 10.645 -1.546 -8.646 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.729 -3.160 -7.096 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.171 -1.716 -6.207 1.00 0.00 H new ATOM 1122 N ASP A 86 12.313 -2.487 -5.972 1.00 0.00 N ATOM 1123 CA ASP A 86 13.230 -1.807 -4.994 1.00 0.00 C ATOM 1124 C ASP A 86 14.052 -2.602 -3.939 1.00 0.00 C ATOM 1125 O ASP A 86 15.050 -2.063 -3.456 1.00 0.00 O ATOM 1126 CB ASP A 86 12.380 -0.885 -4.131 1.00 0.00 C ATOM 1127 CG ASP A 86 13.157 0.286 -3.564 1.00 0.00 C ATOM 1128 OD1 ASP A 86 14.051 0.054 -2.724 1.00 0.00 O ATOM 1129 OD2 ASP A 86 12.867 1.437 -3.954 1.00 0.00 O ATOM 0 H ASP A 86 12.319 -3.507 -5.975 1.00 0.00 H new ATOM 0 HA ASP A 86 13.969 -1.394 -5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.548 -0.507 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.951 -1.460 -3.310 1.00 0.00 H new ATOM 1134 N PRO A 87 13.634 -3.774 -3.432 1.00 0.00 N ATOM 1135 CA PRO A 87 14.316 -4.439 -2.323 1.00 0.00 C ATOM 1136 C PRO A 87 15.107 -5.626 -2.767 1.00 0.00 C ATOM 1137 O PRO A 87 16.335 -5.603 -2.845 1.00 0.00 O ATOM 1138 CB PRO A 87 13.118 -4.882 -1.466 1.00 0.00 C ATOM 1139 CG PRO A 87 11.919 -4.682 -2.344 1.00 0.00 C ATOM 1140 CD PRO A 87 12.449 -4.523 -3.739 1.00 0.00 C ATOM 0 HA PRO A 87 15.042 -3.802 -1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.215 -5.924 -1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.043 -4.289 -0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.241 -5.533 -2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.354 -3.801 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.664 -5.477 -4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.764 -3.983 -4.393 1.00 0.00 H new ATOM 1148 N GLU A 88 14.363 -6.639 -3.131 1.00 0.00 N ATOM 1149 CA GLU A 88 14.939 -7.841 -3.668 1.00 0.00 C ATOM 1150 C GLU A 88 15.486 -7.463 -5.038 1.00 0.00 C ATOM 1151 O GLU A 88 16.174 -8.227 -5.716 1.00 0.00 O ATOM 1152 CB GLU A 88 13.864 -8.931 -3.781 1.00 0.00 C ATOM 1153 CG GLU A 88 14.426 -10.342 -3.892 1.00 0.00 C ATOM 1154 CD GLU A 88 14.857 -10.909 -2.553 1.00 0.00 C ATOM 1155 OE1 GLU A 88 15.650 -10.244 -1.856 1.00 0.00 O ATOM 1156 OE2 GLU A 88 14.403 -12.019 -2.204 1.00 0.00 O ATOM 0 H GLU A 88 13.345 -6.652 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 88 15.728 -8.239 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.213 -8.877 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.244 -8.727 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.672 -10.995 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.279 -10.336 -4.571 1.00 0.00 H new ATOM 1163 N ALA A 89 15.142 -6.228 -5.391 1.00 0.00 N ATOM 1164 CA ALA A 89 15.506 -5.565 -6.613 1.00 0.00 C ATOM 1165 C ALA A 89 16.953 -5.111 -6.618 1.00 0.00 C ATOM 1166 O ALA A 89 17.800 -5.621 -5.885 1.00 0.00 O ATOM 1167 CB ALA A 89 14.612 -4.344 -6.729 1.00 0.00 C ATOM 0 H ALA A 89 14.568 -5.639 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 89 15.385 -6.259 -7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.851 -3.804 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.569 -4.658 -6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.774 -3.692 -5.871 1.00 0.00 H new ATOM 1173 N ALA A 90 17.187 -4.095 -7.429 1.00 0.00 N ATOM 1174 CA ALA A 90 18.468 -3.455 -7.545 1.00 0.00 C ATOM 1175 C ALA A 90 18.741 -2.726 -6.250 1.00 0.00 C ATOM 1176 O ALA A 90 17.905 -2.752 -5.347 1.00 0.00 O ATOM 1177 CB ALA A 90 18.430 -2.455 -8.683 1.00 0.00 C ATOM 0 H ALA A 90 16.472 -3.690 -8.034 1.00 0.00 H new ATOM 0 HA ALA A 90 19.246 -4.192 -7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.401 -1.968 -8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.196 -2.972 -9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.665 -1.705 -8.483 1.00 0.00 H new ATOM 1183 N PHE A 91 19.867 -2.038 -6.153 1.00 0.00 N ATOM 1184 CA PHE A 91 20.140 -1.283 -4.942 1.00 0.00 C ATOM 1185 C PHE A 91 19.259 -0.040 -4.978 1.00 0.00 C ATOM 1186 O PHE A 91 19.739 1.094 -5.017 1.00 0.00 O ATOM 1187 CB PHE A 91 21.622 -0.896 -4.851 1.00 0.00 C ATOM 1188 CG PHE A 91 22.179 -0.279 -6.105 1.00 0.00 C ATOM 1189 CD1 PHE A 91 22.585 -1.074 -7.163 1.00 0.00 C ATOM 1190 CD2 PHE A 91 22.303 1.096 -6.220 1.00 0.00 C ATOM 1191 CE1 PHE A 91 23.101 -0.512 -8.315 1.00 0.00 C ATOM 1192 CE2 PHE A 91 22.821 1.665 -7.369 1.00 0.00 C ATOM 1193 CZ PHE A 91 23.219 0.859 -8.418 1.00 0.00 C ATOM 0 H PHE A 91 20.587 -1.986 -6.874 1.00 0.00 H new ATOM 0 HA PHE A 91 19.920 -1.888 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 91 21.752 -0.195 -4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.203 -1.785 -4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 91 22.497 -2.148 -7.087 1.00 0.00 H new ATOM 0 HD2 PHE A 91 21.992 1.730 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 91 23.411 -1.145 -9.133 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.914 2.738 -7.446 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.622 1.301 -9.317 1.00 0.00 H new ATOM 1203 N SER A 92 17.948 -0.293 -4.983 1.00 0.00 N ATOM 1204 CA SER A 92 16.935 0.745 -5.040 1.00 0.00 C ATOM 1205 C SER A 92 16.391 1.065 -3.649 1.00 0.00 C ATOM 1206 O SER A 92 15.601 2.026 -3.529 1.00 0.00 O ATOM 1207 CB SER A 92 15.806 0.297 -5.988 1.00 0.00 C ATOM 1208 OG SER A 92 14.598 0.972 -5.692 1.00 0.00 O ATOM 1209 OXT SER A 92 16.758 0.353 -2.691 1.00 0.00 O ATOM 0 H SER A 92 17.563 -1.237 -4.947 1.00 0.00 H new ATOM 0 HA SER A 92 17.384 1.660 -5.425 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.094 0.494 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.657 -0.779 -5.899 1.00 0.00 H new ATOM 0 HG SER A 92 14.766 1.661 -5.016 1.00 0.00 H new TER 1215 SER A 92