USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 397 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 Set 1.1: A 16 CYS SG : rot 34:sc= -0.271 USER MOD Set 1.2: A 34 CYS SG : rot -97:sc= 2.56 USER MOD Set 1.3: A 38 TYR OH : rot -111:sc= 1.11 USER MOD Set 1.4: A 43 CYS SG : rot -78:sc= 0.603 USER MOD Set 2.1: A 8 CYS SG : rot 150:sc= 0.588 USER MOD Set 2.2: A 15 TYR OH : rot 178:sc= -1.47! USER MOD Set 2.3: A 21 CYS SG : rot 22:sc= -1.29! USER MOD Single : A 1 ARG N :NH3+ -172:sc= -0.0531 (180deg=-0.199) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -2.17! X(o=-2.2!,f=-2.1) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.065) USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -1.23! (180deg=-1.39!) USER MOD Single : A 28 GLN : amide:sc= -0.0643 X(o=-0.064,f=-0.018) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -77:sc= 0.0862 USER MOD Single : A 32 CYS SG : rot 31:sc= 0.751 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.024 18.242 -9.753 1.00 0.00 N ATOM 2 CA ARG A 1 2.279 19.204 -10.615 1.00 0.00 C ATOM 3 C ARG A 1 1.077 18.512 -11.263 1.00 0.00 C ATOM 4 O ARG A 1 0.137 19.152 -11.692 1.00 0.00 O ATOM 5 CB ARG A 1 3.286 19.641 -11.682 1.00 0.00 C ATOM 6 CG ARG A 1 3.518 21.149 -11.578 1.00 0.00 C ATOM 7 CD ARG A 1 5.021 21.433 -11.545 1.00 0.00 C ATOM 8 NE ARG A 1 5.231 22.513 -12.549 1.00 0.00 N ATOM 9 CZ ARG A 1 6.435 22.783 -12.975 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.463 22.582 -12.195 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.611 23.253 -14.179 1.00 0.00 N ATOM 0 H1 ARG A 1 3.753 18.751 -9.214 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.364 17.783 -9.093 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.475 17.519 -10.349 1.00 0.00 H new ATOM 0 HA ARG A 1 1.891 20.051 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.227 19.108 -11.549 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.913 19.387 -12.674 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.060 21.658 -12.426 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.043 21.539 -10.678 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.341 21.749 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.597 20.542 -11.797 1.00 0.00 H new ATOM 0 HE ARG A 1 4.434 23.042 -12.904 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.325 22.214 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 1 8.404 22.793 -12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.808 23.410 -14.788 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.552 23.464 -14.512 1.00 0.00 H new ATOM 27 N LYS A 2 1.097 17.209 -11.333 1.00 0.00 N ATOM 28 CA LYS A 2 -0.046 16.477 -11.949 1.00 0.00 C ATOM 29 C LYS A 2 -0.684 15.536 -10.924 1.00 0.00 C ATOM 30 O LYS A 2 -1.734 14.970 -11.154 1.00 0.00 O ATOM 31 CB LYS A 2 0.568 15.680 -13.100 1.00 0.00 C ATOM 32 CG LYS A 2 -0.351 15.756 -14.321 1.00 0.00 C ATOM 33 CD LYS A 2 -0.150 14.511 -15.190 1.00 0.00 C ATOM 34 CE LYS A 2 -0.261 14.897 -16.667 1.00 0.00 C ATOM 35 NZ LYS A 2 0.801 14.110 -17.351 1.00 0.00 N ATOM 0 H LYS A 2 1.856 16.620 -10.990 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.831 17.150 -12.294 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.552 16.078 -13.347 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.709 14.641 -12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.391 15.826 -14.003 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.133 16.655 -14.898 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.826 14.069 -14.991 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.898 13.757 -14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.247 14.658 -17.064 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.112 15.968 -16.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.788 14.321 -18.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.729 14.364 -16.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.629 13.095 -17.206 1.00 0.00 H new ATOM 49 N GLY A 3 -0.056 15.365 -9.793 1.00 0.00 N ATOM 50 CA GLY A 3 -0.624 14.461 -8.753 1.00 0.00 C ATOM 51 C GLY A 3 0.108 14.687 -7.429 1.00 0.00 C ATOM 52 O GLY A 3 1.277 15.014 -7.403 1.00 0.00 O ATOM 0 H GLY A 3 0.826 15.812 -9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.690 14.655 -8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.523 13.421 -9.064 1.00 0.00 H new ATOM 56 N HIS A 4 -0.571 14.514 -6.328 1.00 0.00 N ATOM 57 CA HIS A 4 0.086 14.720 -5.006 1.00 0.00 C ATOM 58 C HIS A 4 -0.685 13.980 -3.911 1.00 0.00 C ATOM 59 O HIS A 4 -1.541 14.538 -3.256 1.00 0.00 O ATOM 60 CB HIS A 4 0.035 16.229 -4.769 1.00 0.00 C ATOM 61 CG HIS A 4 -1.376 16.717 -4.953 1.00 0.00 C ATOM 62 ND1 HIS A 4 -1.886 17.054 -6.198 1.00 0.00 N ATOM 63 CD2 HIS A 4 -2.397 16.930 -4.061 1.00 0.00 C ATOM 64 CE1 HIS A 4 -3.160 17.448 -6.020 1.00 0.00 C ATOM 65 NE2 HIS A 4 -3.522 17.391 -4.737 1.00 0.00 N ATOM 0 H HIS A 4 -1.552 14.239 -6.287 1.00 0.00 H new ATOM 0 HA HIS A 4 1.107 14.338 -4.989 1.00 0.00 H new ATOM 0 HB2 HIS A 4 0.384 16.462 -3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 4 0.702 16.740 -5.464 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.336 16.765 -2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.811 17.771 -6.819 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -4.429 17.633 -4.338 1.00 0.00 H new ATOM 73 N PHE A 5 -0.387 12.726 -3.707 1.00 0.00 N ATOM 74 CA PHE A 5 -1.105 11.953 -2.654 1.00 0.00 C ATOM 75 C PHE A 5 -0.210 11.773 -1.425 1.00 0.00 C ATOM 76 O PHE A 5 0.713 12.530 -1.201 1.00 0.00 O ATOM 77 CB PHE A 5 -1.412 10.598 -3.294 1.00 0.00 C ATOM 78 CG PHE A 5 -1.974 10.811 -4.679 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.323 11.148 -4.844 1.00 0.00 C ATOM 80 CD2 PHE A 5 -1.146 10.667 -5.800 1.00 0.00 C ATOM 81 CE1 PHE A 5 -3.843 11.343 -6.129 1.00 0.00 C ATOM 82 CE2 PHE A 5 -1.667 10.861 -7.084 1.00 0.00 C ATOM 83 CZ PHE A 5 -3.016 11.200 -7.250 1.00 0.00 C ATOM 0 H PHE A 5 0.321 12.204 -4.223 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.010 12.460 -2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.506 9.995 -3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.126 10.048 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.962 11.257 -3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.106 10.406 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.883 11.604 -6.256 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.029 10.749 -7.948 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.418 11.351 -8.241 1.00 0.00 H new ATOM 93 N SER A 6 -0.477 10.775 -0.629 1.00 0.00 N ATOM 94 CA SER A 6 0.357 10.543 0.585 1.00 0.00 C ATOM 95 C SER A 6 0.624 9.046 0.764 1.00 0.00 C ATOM 96 O SER A 6 -0.278 8.234 0.704 1.00 0.00 O ATOM 97 CB SER A 6 -0.474 11.083 1.747 1.00 0.00 C ATOM 98 OG SER A 6 -0.831 12.433 1.480 1.00 0.00 O ATOM 0 H SER A 6 -1.237 10.109 -0.766 1.00 0.00 H new ATOM 0 HA SER A 6 1.328 11.033 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.370 10.477 1.881 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.094 11.021 2.675 1.00 0.00 H new ATOM 0 HG SER A 6 -1.366 12.783 2.223 1.00 0.00 H new ATOM 104 N ARG A 7 1.857 8.676 0.980 1.00 0.00 N ATOM 105 CA ARG A 7 2.181 7.231 1.160 1.00 0.00 C ATOM 106 C ARG A 7 2.011 6.827 2.626 1.00 0.00 C ATOM 107 O ARG A 7 2.604 7.408 3.513 1.00 0.00 O ATOM 108 CB ARG A 7 3.643 7.096 0.736 1.00 0.00 C ATOM 109 CG ARG A 7 4.127 5.673 1.019 1.00 0.00 C ATOM 110 CD ARG A 7 5.317 5.719 1.980 1.00 0.00 C ATOM 111 NE ARG A 7 6.353 4.854 1.351 1.00 0.00 N ATOM 112 CZ ARG A 7 7.437 4.547 2.010 1.00 0.00 C ATOM 113 NH1 ARG A 7 7.929 5.386 2.881 1.00 0.00 N ATOM 114 NH2 ARG A 7 8.030 3.405 1.799 1.00 0.00 N ATOM 0 H ARG A 7 2.653 9.310 1.040 1.00 0.00 H new ATOM 0 HA ARG A 7 1.524 6.587 0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.747 7.323 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.258 7.815 1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.319 5.082 1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.416 5.184 0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.680 6.738 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.041 5.350 2.968 1.00 0.00 H new ATOM 0 HE ARG A 7 6.215 4.501 0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.466 6.280 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.776 5.147 3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.647 2.750 1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.877 3.167 2.315 1.00 0.00 H new ATOM 128 N CYS A 8 1.208 5.832 2.888 1.00 0.00 N ATOM 129 CA CYS A 8 1.004 5.390 4.297 1.00 0.00 C ATOM 130 C CYS A 8 2.246 4.646 4.798 1.00 0.00 C ATOM 131 O CYS A 8 2.629 3.636 4.242 1.00 0.00 O ATOM 132 CB CYS A 8 -0.200 4.449 4.245 1.00 0.00 C ATOM 133 SG CYS A 8 -1.637 5.267 4.981 1.00 0.00 S ATOM 0 H CYS A 8 0.685 5.306 2.188 1.00 0.00 H new ATOM 0 HA CYS A 8 0.837 6.227 4.975 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.415 4.172 3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.022 3.527 4.782 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.723 4.828 4.416 1.00 0.00 H new ATOM 138 N PRO A 9 2.838 5.175 5.836 1.00 0.00 N ATOM 139 CA PRO A 9 4.053 4.551 6.418 1.00 0.00 C ATOM 140 C PRO A 9 3.695 3.245 7.132 1.00 0.00 C ATOM 141 O PRO A 9 2.545 2.854 7.194 1.00 0.00 O ATOM 142 CB PRO A 9 4.551 5.599 7.412 1.00 0.00 C ATOM 143 CG PRO A 9 3.339 6.398 7.767 1.00 0.00 C ATOM 144 CD PRO A 9 2.439 6.386 6.560 1.00 0.00 C ATOM 0 HA PRO A 9 4.802 4.290 5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.988 5.131 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.323 6.228 6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.832 5.968 8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.614 7.419 8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.388 6.353 6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.576 7.279 5.951 1.00 0.00 H new ATOM 152 N LYS A 10 4.671 2.566 7.670 1.00 0.00 N ATOM 153 CA LYS A 10 4.388 1.283 8.377 1.00 0.00 C ATOM 154 C LYS A 10 3.533 1.538 9.622 1.00 0.00 C ATOM 155 O LYS A 10 2.698 0.734 9.986 1.00 0.00 O ATOM 156 CB LYS A 10 5.761 0.740 8.772 1.00 0.00 C ATOM 157 CG LYS A 10 6.391 0.024 7.575 1.00 0.00 C ATOM 158 CD LYS A 10 7.887 0.339 7.521 1.00 0.00 C ATOM 159 CE LYS A 10 8.687 -0.959 7.654 1.00 0.00 C ATOM 160 NZ LYS A 10 9.823 -0.808 6.704 1.00 0.00 N ATOM 0 H LYS A 10 5.652 2.844 7.651 1.00 0.00 H new ATOM 0 HA LYS A 10 3.834 0.582 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.405 1.555 9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.664 0.051 9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.238 -1.052 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.908 0.343 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.131 0.835 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.154 1.027 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.042 -1.101 8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.076 -1.827 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.419 -1.660 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.455 -0.681 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.390 0.022 6.970 1.00 0.00 H new ATOM 174 N GLN A 11 3.734 2.649 10.276 1.00 0.00 N ATOM 175 CA GLN A 11 2.931 2.948 11.498 1.00 0.00 C ATOM 176 C GLN A 11 1.439 2.981 11.154 1.00 0.00 C ATOM 177 O GLN A 11 0.591 2.857 12.015 1.00 0.00 O ATOM 178 CB GLN A 11 3.409 4.325 11.958 1.00 0.00 C ATOM 179 CG GLN A 11 4.556 4.159 12.956 1.00 0.00 C ATOM 180 CD GLN A 11 4.478 5.260 14.014 1.00 0.00 C ATOM 181 OE1 GLN A 11 3.963 5.046 15.094 1.00 0.00 O ATOM 182 NE2 GLN A 11 4.971 6.439 13.751 1.00 0.00 N ATOM 0 H GLN A 11 4.417 3.361 10.019 1.00 0.00 H new ATOM 0 HA GLN A 11 3.060 2.193 12.274 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.740 4.912 11.101 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.587 4.872 12.420 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.499 3.180 13.431 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.513 4.207 12.437 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.404 6.620 12.845 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.924 7.179 14.451 1.00 0.00 H new ATOM 191 N TYR A 12 1.114 3.146 9.901 1.00 0.00 N ATOM 192 CA TYR A 12 -0.322 3.184 9.503 1.00 0.00 C ATOM 193 C TYR A 12 -0.638 2.025 8.552 1.00 0.00 C ATOM 194 O TYR A 12 -1.758 1.857 8.116 1.00 0.00 O ATOM 195 CB TYR A 12 -0.500 4.525 8.791 1.00 0.00 C ATOM 196 CG TYR A 12 -1.004 5.555 9.773 1.00 0.00 C ATOM 197 CD1 TYR A 12 -2.285 5.428 10.326 1.00 0.00 C ATOM 198 CD2 TYR A 12 -0.190 6.635 10.134 1.00 0.00 C ATOM 199 CE1 TYR A 12 -2.752 6.383 11.236 1.00 0.00 C ATOM 200 CE2 TYR A 12 -0.657 7.590 11.046 1.00 0.00 C ATOM 201 CZ TYR A 12 -1.938 7.464 11.596 1.00 0.00 C ATOM 202 OH TYR A 12 -2.399 8.405 12.495 1.00 0.00 O ATOM 0 H TYR A 12 1.780 3.256 9.136 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.991 3.085 10.358 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.448 4.850 8.362 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.204 4.420 7.965 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.912 4.593 10.050 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.798 6.732 9.709 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.740 6.286 11.661 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.029 8.423 11.325 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.710 9.088 12.636 1.00 0.00 H new ATOM 212 N LYS A 13 0.343 1.228 8.229 1.00 0.00 N ATOM 213 CA LYS A 13 0.099 0.083 7.307 1.00 0.00 C ATOM 214 C LYS A 13 -0.298 -1.164 8.102 1.00 0.00 C ATOM 215 O LYS A 13 0.264 -2.228 7.929 1.00 0.00 O ATOM 216 CB LYS A 13 1.431 -0.140 6.590 1.00 0.00 C ATOM 217 CG LYS A 13 1.228 -0.006 5.078 1.00 0.00 C ATOM 218 CD LYS A 13 2.570 0.291 4.407 1.00 0.00 C ATOM 219 CE LYS A 13 3.526 -0.883 4.633 1.00 0.00 C ATOM 220 NZ LYS A 13 4.670 -0.629 3.713 1.00 0.00 N ATOM 0 H LYS A 13 1.302 1.320 8.563 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.712 0.284 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.167 0.586 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.823 -1.129 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.803 -0.925 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.518 0.793 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.426 0.456 3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.998 1.206 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.856 -0.929 5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.043 -1.834 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.369 -1.393 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.326 -0.597 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.114 0.280 3.954 1.00 0.00 H new ATOM 234 N HIS A 14 -1.272 -1.050 8.961 1.00 0.00 N ATOM 235 CA HIS A 14 -1.695 -2.236 9.757 1.00 0.00 C ATOM 236 C HIS A 14 -2.723 -3.037 8.962 1.00 0.00 C ATOM 237 O HIS A 14 -3.006 -4.180 9.261 1.00 0.00 O ATOM 238 CB HIS A 14 -2.321 -1.663 11.029 1.00 0.00 C ATOM 239 CG HIS A 14 -1.275 -1.575 12.105 1.00 0.00 C ATOM 240 ND1 HIS A 14 -1.186 -0.490 12.963 1.00 0.00 N ATOM 241 CD2 HIS A 14 -0.265 -2.429 12.474 1.00 0.00 C ATOM 242 CE1 HIS A 14 -0.156 -0.717 13.799 1.00 0.00 C ATOM 243 NE2 HIS A 14 0.440 -1.886 13.545 1.00 0.00 N ATOM 0 H HIS A 14 -1.791 -0.192 9.146 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.867 -2.906 9.988 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.737 -0.676 10.830 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.145 -2.296 11.359 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.050 -3.378 12.005 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.151 -0.037 14.580 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.239 -2.293 14.031 1.00 0.00 H new ATOM 251 N TYR A 15 -3.256 -2.452 7.927 1.00 0.00 N ATOM 252 CA TYR A 15 -4.237 -3.186 7.083 1.00 0.00 C ATOM 253 C TYR A 15 -3.488 -3.914 5.963 1.00 0.00 C ATOM 254 O TYR A 15 -4.081 -4.549 5.115 1.00 0.00 O ATOM 255 CB TYR A 15 -5.173 -2.117 6.508 1.00 0.00 C ATOM 256 CG TYR A 15 -4.362 -0.982 5.931 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.565 -1.193 4.798 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.405 0.283 6.531 1.00 0.00 C ATOM 259 CE1 TYR A 15 -2.813 -0.138 4.266 1.00 0.00 C ATOM 260 CE2 TYR A 15 -3.653 1.336 5.999 1.00 0.00 C ATOM 261 CZ TYR A 15 -2.857 1.126 4.866 1.00 0.00 C ATOM 262 OH TYR A 15 -2.116 2.165 4.343 1.00 0.00 O ATOM 0 H TYR A 15 -3.055 -1.497 7.629 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.798 -3.932 7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.806 -2.553 5.735 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.835 -1.743 7.289 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.531 -2.168 4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.019 0.446 7.405 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.199 -0.300 3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.686 2.311 6.462 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.286 2.980 4.859 1.00 0.00 H new ATOM 272 N CYS A 16 -2.181 -3.825 5.958 1.00 0.00 N ATOM 273 CA CYS A 16 -1.389 -4.512 4.899 1.00 0.00 C ATOM 274 C CYS A 16 0.059 -4.690 5.363 1.00 0.00 C ATOM 275 O CYS A 16 0.793 -3.733 5.522 1.00 0.00 O ATOM 276 CB CYS A 16 -1.457 -3.582 3.686 1.00 0.00 C ATOM 277 SG CYS A 16 -2.890 -4.018 2.672 1.00 0.00 S ATOM 0 H CYS A 16 -1.631 -3.306 6.642 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.775 -5.505 4.669 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.531 -2.545 4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.543 -3.666 3.098 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.854 -4.433 3.439 1.00 0.00 H new ATOM 282 N ILE A 17 0.476 -5.906 5.586 1.00 0.00 N ATOM 283 CA ILE A 17 1.874 -6.142 6.047 1.00 0.00 C ATOM 284 C ILE A 17 2.872 -5.745 4.953 1.00 0.00 C ATOM 285 O ILE A 17 3.498 -4.705 5.023 1.00 0.00 O ATOM 286 CB ILE A 17 1.948 -7.642 6.327 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.198 -7.954 7.625 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.412 -8.065 6.472 1.00 0.00 C ATOM 289 CD1 ILE A 17 1.328 -9.444 7.946 1.00 0.00 C ATOM 0 H ILE A 17 -0.090 -6.746 5.469 1.00 0.00 H new ATOM 0 HA ILE A 17 2.124 -5.550 6.927 1.00 0.00 H new ATOM 0 HB ILE A 17 1.493 -8.188 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.603 -7.359 8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.147 -7.684 7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.463 -9.135 6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.948 -7.842 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.868 -7.519 7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.794 -9.665 8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.902 -10.030 7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.381 -9.700 8.065 1.00 0.00 H new ATOM 301 N LYS A 18 3.030 -6.562 3.946 1.00 0.00 N ATOM 302 CA LYS A 18 3.992 -6.219 2.857 1.00 0.00 C ATOM 303 C LYS A 18 3.257 -5.569 1.679 1.00 0.00 C ATOM 304 O LYS A 18 3.130 -6.144 0.614 1.00 0.00 O ATOM 305 CB LYS A 18 4.614 -7.554 2.439 1.00 0.00 C ATOM 306 CG LYS A 18 3.546 -8.441 1.796 1.00 0.00 C ATOM 307 CD LYS A 18 3.843 -9.908 2.114 1.00 0.00 C ATOM 308 CE LYS A 18 5.164 -10.317 1.459 1.00 0.00 C ATOM 309 NZ LYS A 18 6.046 -10.715 2.592 1.00 0.00 N ATOM 0 H LYS A 18 2.538 -7.448 3.830 1.00 0.00 H new ATOM 0 HA LYS A 18 4.748 -5.505 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.429 -7.382 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.042 -8.055 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.559 -8.169 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.532 -8.287 0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.900 -10.053 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.034 -10.541 1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.020 -11.142 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.596 -9.492 0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.027 -10.796 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.995 -9.995 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.733 -11.632 2.971 1.00 0.00 H new ATOM 323 N GLY A 19 2.771 -4.372 1.864 1.00 0.00 N ATOM 324 CA GLY A 19 2.045 -3.683 0.760 1.00 0.00 C ATOM 325 C GLY A 19 2.011 -2.176 1.028 1.00 0.00 C ATOM 326 O GLY A 19 2.049 -1.736 2.160 1.00 0.00 O ATOM 0 H GLY A 19 2.845 -3.841 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.537 -3.882 -0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.030 -4.071 0.681 1.00 0.00 H new ATOM 330 N ARG A 20 1.933 -1.383 -0.005 1.00 0.00 N ATOM 331 CA ARG A 20 1.888 0.095 0.189 1.00 0.00 C ATOM 332 C ARG A 20 0.509 0.631 -0.207 1.00 0.00 C ATOM 333 O ARG A 20 -0.093 0.177 -1.159 1.00 0.00 O ATOM 334 CB ARG A 20 2.971 0.651 -0.736 1.00 0.00 C ATOM 335 CG ARG A 20 2.715 0.176 -2.167 1.00 0.00 C ATOM 336 CD ARG A 20 3.563 -1.065 -2.454 1.00 0.00 C ATOM 337 NE ARG A 20 4.835 -0.537 -3.021 1.00 0.00 N ATOM 338 CZ ARG A 20 5.755 -1.363 -3.437 1.00 0.00 C ATOM 339 NH1 ARG A 20 5.584 -2.022 -4.551 1.00 0.00 N ATOM 340 NH2 ARG A 20 6.844 -1.532 -2.739 1.00 0.00 N ATOM 0 H ARG A 20 1.898 -1.694 -0.976 1.00 0.00 H new ATOM 0 HA ARG A 20 2.057 0.385 1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.972 1.740 -0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.954 0.320 -0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.658 -0.054 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.961 0.969 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.744 -1.639 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.063 -1.731 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 20 4.987 0.470 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.731 -1.891 -5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.303 -2.668 -4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.976 -1.018 -1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.563 -2.178 -3.064 1.00 0.00 H new ATOM 354 N CYS A 21 -0.001 1.589 0.518 1.00 0.00 N ATOM 355 CA CYS A 21 -1.344 2.143 0.181 1.00 0.00 C ATOM 356 C CYS A 21 -1.276 3.665 0.023 1.00 0.00 C ATOM 357 O CYS A 21 -0.693 4.358 0.831 1.00 0.00 O ATOM 358 CB CYS A 21 -2.234 1.766 1.367 1.00 0.00 C ATOM 359 SG CYS A 21 -3.780 2.707 1.296 1.00 0.00 S ATOM 0 H CYS A 21 0.453 2.012 1.328 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.725 1.749 -0.761 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.447 0.697 1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.715 1.972 2.303 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.985 3.113 0.078 1.00 0.00 H new ATOM 364 N ARG A 22 -1.879 4.187 -1.010 1.00 0.00 N ATOM 365 CA ARG A 22 -1.862 5.662 -1.220 1.00 0.00 C ATOM 366 C ARG A 22 -3.203 6.264 -0.789 1.00 0.00 C ATOM 367 O ARG A 22 -4.246 5.918 -1.309 1.00 0.00 O ATOM 368 CB ARG A 22 -1.648 5.849 -2.723 1.00 0.00 C ATOM 369 CG ARG A 22 -0.214 5.460 -3.088 1.00 0.00 C ATOM 370 CD ARG A 22 0.679 6.703 -3.046 1.00 0.00 C ATOM 371 NE ARG A 22 1.730 6.456 -4.072 1.00 0.00 N ATOM 372 CZ ARG A 22 2.144 7.435 -4.830 1.00 0.00 C ATOM 373 NH1 ARG A 22 2.277 8.634 -4.334 1.00 0.00 N ATOM 374 NH2 ARG A 22 2.426 7.212 -6.085 1.00 0.00 N ATOM 0 H ARG A 22 -2.384 3.654 -1.719 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.085 6.156 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.355 5.235 -3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.837 6.886 -3.002 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.158 4.708 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.189 5.014 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.111 7.605 -3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.117 6.841 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 22 2.126 5.523 -4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.058 8.807 -3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.601 9.398 -4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.323 6.274 -6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.750 7.976 -6.679 1.00 0.00 H new ATOM 388 N PHE A 23 -3.184 7.157 0.161 1.00 0.00 N ATOM 389 CA PHE A 23 -4.460 7.778 0.627 1.00 0.00 C ATOM 390 C PHE A 23 -4.620 9.177 0.029 1.00 0.00 C ATOM 391 O PHE A 23 -3.840 10.069 0.298 1.00 0.00 O ATOM 392 CB PHE A 23 -4.323 7.858 2.149 1.00 0.00 C ATOM 393 CG PHE A 23 -5.695 7.908 2.775 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.592 8.918 2.412 1.00 0.00 C ATOM 395 CD2 PHE A 23 -6.070 6.944 3.718 1.00 0.00 C ATOM 396 CE1 PHE A 23 -7.865 8.966 2.991 1.00 0.00 C ATOM 397 CE2 PHE A 23 -7.343 6.991 4.299 1.00 0.00 C ATOM 398 CZ PHE A 23 -8.241 8.002 3.935 1.00 0.00 C ATOM 0 H PHE A 23 -2.343 7.485 0.636 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.335 7.204 0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.773 6.994 2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.752 8.744 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.302 9.661 1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.377 6.164 3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.557 9.746 2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.632 6.248 5.027 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.223 8.038 4.382 1.00 0.00 H new ATOM 408 N VAL A 24 -5.625 9.381 -0.782 1.00 0.00 N ATOM 409 CA VAL A 24 -5.823 10.733 -1.388 1.00 0.00 C ATOM 410 C VAL A 24 -6.724 11.583 -0.490 1.00 0.00 C ATOM 411 O VAL A 24 -7.821 11.185 -0.138 1.00 0.00 O ATOM 412 CB VAL A 24 -6.498 10.491 -2.743 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.240 11.688 -3.658 1.00 0.00 C ATOM 414 CG2 VAL A 24 -5.927 9.227 -3.394 1.00 0.00 C ATOM 0 H VAL A 24 -6.313 8.677 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.879 11.266 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.570 10.364 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.719 11.519 -4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.650 12.589 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.167 11.811 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.412 9.062 -4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.854 9.348 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.108 8.370 -2.745 1.00 0.00 H new ATOM 424 N VAL A 25 -6.268 12.750 -0.115 1.00 0.00 N ATOM 425 CA VAL A 25 -7.087 13.633 0.763 1.00 0.00 C ATOM 426 C VAL A 25 -8.151 14.363 -0.061 1.00 0.00 C ATOM 427 O VAL A 25 -9.334 14.153 0.120 1.00 0.00 O ATOM 428 CB VAL A 25 -6.096 14.630 1.362 1.00 0.00 C ATOM 429 CG1 VAL A 25 -6.813 15.513 2.384 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.965 13.866 2.054 1.00 0.00 C ATOM 0 H VAL A 25 -5.359 13.130 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.614 13.070 1.534 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.684 15.255 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.105 16.224 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.621 16.056 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.225 14.890 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.256 14.575 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.379 13.243 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.453 13.236 1.327 1.00 0.00 H new ATOM 440 N ALA A 26 -7.741 15.216 -0.968 1.00 0.00 N ATOM 441 CA ALA A 26 -8.736 15.949 -1.805 1.00 0.00 C ATOM 442 C ALA A 26 -9.845 14.986 -2.224 1.00 0.00 C ATOM 443 O ALA A 26 -11.018 15.253 -2.056 1.00 0.00 O ATOM 444 CB ALA A 26 -7.953 16.436 -3.024 1.00 0.00 C ATOM 0 H ALA A 26 -6.764 15.434 -1.163 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.204 16.779 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.619 16.986 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.144 17.090 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.537 15.580 -3.555 1.00 0.00 H new ATOM 450 N GLU A 27 -9.473 13.851 -2.742 1.00 0.00 N ATOM 451 CA GLU A 27 -10.486 12.841 -3.145 1.00 0.00 C ATOM 452 C GLU A 27 -10.481 11.709 -2.117 1.00 0.00 C ATOM 453 O GLU A 27 -10.007 10.624 -2.386 1.00 0.00 O ATOM 454 CB GLU A 27 -10.028 12.336 -4.514 1.00 0.00 C ATOM 455 CG GLU A 27 -11.248 11.922 -5.340 1.00 0.00 C ATOM 456 CD GLU A 27 -11.278 10.399 -5.477 1.00 0.00 C ATOM 457 OE1 GLU A 27 -10.638 9.893 -6.384 1.00 0.00 O ATOM 458 OE2 GLU A 27 -11.943 9.765 -4.674 1.00 0.00 O ATOM 0 H GLU A 27 -8.504 13.578 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.498 13.243 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.472 13.116 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.353 11.489 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.162 12.273 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.208 12.386 -6.326 1.00 0.00 H new ATOM 465 N GLN A 28 -10.985 11.978 -0.936 1.00 0.00 N ATOM 466 CA GLN A 28 -11.006 10.950 0.152 1.00 0.00 C ATOM 467 C GLN A 28 -11.109 9.536 -0.421 1.00 0.00 C ATOM 468 O GLN A 28 -12.186 9.015 -0.629 1.00 0.00 O ATOM 469 CB GLN A 28 -12.247 11.281 0.980 1.00 0.00 C ATOM 470 CG GLN A 28 -11.826 11.671 2.399 1.00 0.00 C ATOM 471 CD GLN A 28 -11.652 13.188 2.481 1.00 0.00 C ATOM 472 OE1 GLN A 28 -10.562 13.675 2.711 1.00 0.00 O ATOM 473 NE2 GLN A 28 -12.687 13.962 2.303 1.00 0.00 N ATOM 0 H GLN A 28 -11.388 12.879 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.091 10.973 0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.799 12.098 0.516 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.916 10.421 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.578 11.341 3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.893 11.173 2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.602 13.554 2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.581 14.975 2.357 1.00 0.00 H new ATOM 482 N THR A 29 -9.991 8.911 -0.674 1.00 0.00 N ATOM 483 CA THR A 29 -10.026 7.528 -1.232 1.00 0.00 C ATOM 484 C THR A 29 -8.795 6.735 -0.777 1.00 0.00 C ATOM 485 O THR A 29 -7.699 6.950 -1.259 1.00 0.00 O ATOM 486 CB THR A 29 -10.023 7.710 -2.749 1.00 0.00 C ATOM 487 OG1 THR A 29 -10.098 6.438 -3.377 1.00 0.00 O ATOM 488 CG2 THR A 29 -8.739 8.415 -3.170 1.00 0.00 C ATOM 0 H THR A 29 -9.059 9.296 -0.520 1.00 0.00 H new ATOM 0 HA THR A 29 -10.899 6.970 -0.893 1.00 0.00 H new ATOM 0 HB THR A 29 -10.881 8.311 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.098 6.553 -4.350 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.734 8.546 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.684 9.390 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.880 7.814 -2.874 1.00 0.00 H new ATOM 496 N PRO A 30 -9.026 5.838 0.141 1.00 0.00 N ATOM 497 CA PRO A 30 -7.933 4.992 0.673 1.00 0.00 C ATOM 498 C PRO A 30 -7.619 3.859 -0.308 1.00 0.00 C ATOM 499 O PRO A 30 -8.211 2.799 -0.255 1.00 0.00 O ATOM 500 CB PRO A 30 -8.512 4.437 1.970 1.00 0.00 C ATOM 501 CG PRO A 30 -9.999 4.469 1.788 1.00 0.00 C ATOM 502 CD PRO A 30 -10.316 5.536 0.769 1.00 0.00 C ATOM 0 HA PRO A 30 -7.001 5.536 0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.161 3.422 2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.208 5.040 2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.364 3.499 1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.495 4.685 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.041 5.182 0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.745 6.420 1.240 1.00 0.00 H new ATOM 510 N SER A 31 -6.695 4.070 -1.204 1.00 0.00 N ATOM 511 CA SER A 31 -6.352 3.001 -2.183 1.00 0.00 C ATOM 512 C SER A 31 -5.235 2.117 -1.624 1.00 0.00 C ATOM 513 O SER A 31 -4.079 2.482 -1.639 1.00 0.00 O ATOM 514 CB SER A 31 -5.879 3.743 -3.432 1.00 0.00 C ATOM 515 OG SER A 31 -4.719 4.501 -3.116 1.00 0.00 O ATOM 0 H SER A 31 -6.163 4.935 -1.301 1.00 0.00 H new ATOM 0 HA SER A 31 -7.198 2.347 -2.397 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.658 3.033 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.668 4.399 -3.800 1.00 0.00 H new ATOM 0 HG SER A 31 -4.980 5.312 -2.631 1.00 0.00 H new ATOM 521 N CYS A 32 -5.571 0.960 -1.128 1.00 0.00 N ATOM 522 CA CYS A 32 -4.522 0.062 -0.565 1.00 0.00 C ATOM 523 C CYS A 32 -3.972 -0.865 -1.652 1.00 0.00 C ATOM 524 O CYS A 32 -4.713 -1.489 -2.384 1.00 0.00 O ATOM 525 CB CYS A 32 -5.233 -0.748 0.519 1.00 0.00 C ATOM 526 SG CYS A 32 -6.615 -1.657 -0.218 1.00 0.00 S ATOM 0 H CYS A 32 -6.523 0.597 -1.087 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.674 0.621 -0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.535 -1.442 0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.597 -0.085 1.304 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.327 -1.961 -1.449 1.00 0.00 H new ATOM 531 N VAL A 33 -2.675 -0.962 -1.757 1.00 0.00 N ATOM 532 CA VAL A 33 -2.071 -1.850 -2.792 1.00 0.00 C ATOM 533 C VAL A 33 -1.007 -2.748 -2.153 1.00 0.00 C ATOM 534 O VAL A 33 -0.194 -2.302 -1.370 1.00 0.00 O ATOM 535 CB VAL A 33 -1.434 -0.901 -3.806 1.00 0.00 C ATOM 536 CG1 VAL A 33 -0.765 -1.713 -4.916 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.516 -0.005 -4.412 1.00 0.00 C ATOM 0 H VAL A 33 -2.006 -0.464 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.806 -2.506 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.686 -0.284 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.311 -1.036 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.005 -2.353 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.512 -2.330 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.064 0.673 -5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.263 -0.623 -4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.994 0.574 -3.622 1.00 0.00 H new ATOM 547 N CYS A 34 -1.010 -4.011 -2.480 1.00 0.00 N ATOM 548 CA CYS A 34 0.000 -4.936 -1.888 1.00 0.00 C ATOM 549 C CYS A 34 1.111 -5.220 -2.899 1.00 0.00 C ATOM 550 O CYS A 34 0.947 -5.024 -4.087 1.00 0.00 O ATOM 551 CB CYS A 34 -0.772 -6.217 -1.570 1.00 0.00 C ATOM 552 SG CYS A 34 -2.315 -5.803 -0.718 1.00 0.00 S ATOM 0 H CYS A 34 -1.667 -4.443 -3.130 1.00 0.00 H new ATOM 0 HA CYS A 34 0.475 -4.515 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.988 -6.761 -2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.165 -6.873 -0.946 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.152 -5.937 0.565 1.00 0.00 H new ATOM 557 N ASP A 35 2.243 -5.684 -2.442 1.00 0.00 N ATOM 558 CA ASP A 35 3.356 -5.982 -3.388 1.00 0.00 C ATOM 559 C ASP A 35 2.868 -6.938 -4.480 1.00 0.00 C ATOM 560 O ASP A 35 2.518 -8.069 -4.213 1.00 0.00 O ATOM 561 CB ASP A 35 4.437 -6.645 -2.536 1.00 0.00 C ATOM 562 CG ASP A 35 5.261 -5.568 -1.827 1.00 0.00 C ATOM 563 OD1 ASP A 35 5.365 -4.479 -2.369 1.00 0.00 O ATOM 564 OD2 ASP A 35 5.771 -5.849 -0.756 1.00 0.00 O ATOM 0 H ASP A 35 2.444 -5.869 -1.459 1.00 0.00 H new ATOM 0 HA ASP A 35 3.729 -5.088 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.980 -7.310 -1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.084 -7.259 -3.163 1.00 0.00 H new ATOM 569 N GLU A 36 2.838 -6.491 -5.706 1.00 0.00 N ATOM 570 CA GLU A 36 2.367 -7.373 -6.814 1.00 0.00 C ATOM 571 C GLU A 36 2.921 -8.791 -6.643 1.00 0.00 C ATOM 572 O GLU A 36 2.240 -9.767 -6.886 1.00 0.00 O ATOM 573 CB GLU A 36 2.917 -6.734 -8.089 1.00 0.00 C ATOM 574 CG GLU A 36 1.808 -6.657 -9.140 1.00 0.00 C ATOM 575 CD GLU A 36 2.421 -6.767 -10.537 1.00 0.00 C ATOM 576 OE1 GLU A 36 3.555 -6.346 -10.700 1.00 0.00 O ATOM 577 OE2 GLU A 36 1.748 -7.271 -11.421 1.00 0.00 O ATOM 0 H GLU A 36 3.119 -5.552 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 36 1.281 -7.460 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.298 -5.736 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.754 -7.319 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.087 -7.460 -8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.265 -5.717 -9.043 1.00 0.00 H new ATOM 584 N GLY A 37 4.153 -8.914 -6.228 1.00 0.00 N ATOM 585 CA GLY A 37 4.746 -10.269 -6.047 1.00 0.00 C ATOM 586 C GLY A 37 4.492 -10.759 -4.619 1.00 0.00 C ATOM 587 O GLY A 37 5.384 -11.248 -3.954 1.00 0.00 O ATOM 0 H GLY A 37 4.773 -8.135 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.310 -10.965 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.817 -10.237 -6.245 1.00 0.00 H new ATOM 591 N TYR A 38 3.284 -10.632 -4.142 1.00 0.00 N ATOM 592 CA TYR A 38 2.979 -11.091 -2.756 1.00 0.00 C ATOM 593 C TYR A 38 1.772 -12.039 -2.762 1.00 0.00 C ATOM 594 O TYR A 38 1.121 -12.225 -3.771 1.00 0.00 O ATOM 595 CB TYR A 38 2.686 -9.802 -1.964 1.00 0.00 C ATOM 596 CG TYR A 38 1.200 -9.504 -1.941 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.487 -9.381 -3.141 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.537 -9.351 -0.716 1.00 0.00 C ATOM 599 CE1 TYR A 38 -0.886 -9.107 -3.115 1.00 0.00 C ATOM 600 CE2 TYR A 38 -0.835 -9.077 -0.692 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.547 -8.954 -1.890 1.00 0.00 C ATOM 602 OH TYR A 38 -2.900 -8.683 -1.866 1.00 0.00 O ATOM 0 H TYR A 38 2.496 -10.231 -4.651 1.00 0.00 H new ATOM 0 HA TYR A 38 3.801 -11.651 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.055 -9.906 -0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.221 -8.965 -2.413 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.996 -9.498 -4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.085 -9.445 0.210 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.435 -9.014 -4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.345 -8.960 0.253 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.045 -7.771 -1.539 1.00 0.00 H new ATOM 612 N ILE A 39 1.471 -12.638 -1.642 1.00 0.00 N ATOM 613 CA ILE A 39 0.309 -13.570 -1.581 1.00 0.00 C ATOM 614 C ILE A 39 -0.331 -13.529 -0.191 1.00 0.00 C ATOM 615 O ILE A 39 0.331 -13.294 0.801 1.00 0.00 O ATOM 616 CB ILE A 39 0.894 -14.954 -1.860 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.468 -14.987 -3.278 1.00 0.00 C ATOM 618 CG2 ILE A 39 -0.207 -16.008 -1.732 1.00 0.00 C ATOM 619 CD1 ILE A 39 2.015 -16.384 -3.573 1.00 0.00 C ATOM 0 H ILE A 39 1.980 -12.522 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.469 -13.305 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 39 1.686 -15.166 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.695 -14.727 -4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.261 -14.246 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.210 -16.995 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.618 -15.984 -0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.998 -15.797 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.424 -16.409 -4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.801 -16.626 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.211 -17.115 -3.489 1.00 0.00 H new ATOM 631 N GLY A 40 -1.612 -13.756 -0.113 1.00 0.00 N ATOM 632 CA GLY A 40 -2.294 -13.732 1.211 1.00 0.00 C ATOM 633 C GLY A 40 -3.310 -12.590 1.245 1.00 0.00 C ATOM 634 O GLY A 40 -3.252 -11.669 0.454 1.00 0.00 O ATOM 0 H GLY A 40 -2.217 -13.957 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.795 -14.683 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.560 -13.603 2.007 1.00 0.00 H new ATOM 638 N ALA A 41 -4.242 -12.642 2.156 1.00 0.00 N ATOM 639 CA ALA A 41 -5.264 -11.559 2.243 1.00 0.00 C ATOM 640 C ALA A 41 -4.695 -10.354 2.996 1.00 0.00 C ATOM 641 O ALA A 41 -4.884 -9.220 2.604 1.00 0.00 O ATOM 642 CB ALA A 41 -6.426 -12.175 3.021 1.00 0.00 C ATOM 0 H ALA A 41 -4.341 -13.388 2.845 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.573 -11.203 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.223 -11.439 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.805 -13.044 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.081 -12.483 4.008 1.00 0.00 H new ATOM 648 N ARG A 42 -4.000 -10.592 4.074 1.00 0.00 N ATOM 649 CA ARG A 42 -3.422 -9.460 4.853 1.00 0.00 C ATOM 650 C ARG A 42 -1.989 -9.178 4.391 1.00 0.00 C ATOM 651 O ARG A 42 -1.237 -8.491 5.055 1.00 0.00 O ATOM 652 CB ARG A 42 -3.439 -9.930 6.307 1.00 0.00 C ATOM 653 CG ARG A 42 -4.874 -10.262 6.719 1.00 0.00 C ATOM 654 CD ARG A 42 -5.369 -9.225 7.729 1.00 0.00 C ATOM 655 NE ARG A 42 -4.920 -9.736 9.053 1.00 0.00 N ATOM 656 CZ ARG A 42 -5.792 -9.944 10.002 1.00 0.00 C ATOM 657 NH1 ARG A 42 -6.672 -9.025 10.291 1.00 0.00 N ATOM 658 NH2 ARG A 42 -5.785 -11.072 10.660 1.00 0.00 N ATOM 0 H ARG A 42 -3.807 -11.521 4.449 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.984 -8.536 4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.803 -10.808 6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.033 -9.154 6.956 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.522 -10.270 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.916 -11.260 7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.949 -8.240 7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.454 -9.123 7.692 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.931 -9.924 9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.678 -8.145 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.354 -9.187 11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.098 -11.791 10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.466 -11.234 11.401 1.00 0.00 H new ATOM 672 N CYS A 43 -1.609 -9.698 3.255 1.00 0.00 N ATOM 673 CA CYS A 43 -0.227 -9.457 2.743 1.00 0.00 C ATOM 674 C CYS A 43 0.807 -10.082 3.682 1.00 0.00 C ATOM 675 O CYS A 43 1.850 -9.513 3.938 1.00 0.00 O ATOM 676 CB CYS A 43 -0.067 -7.933 2.712 1.00 0.00 C ATOM 677 SG CYS A 43 -1.554 -7.171 2.011 1.00 0.00 S ATOM 0 H CYS A 43 -2.196 -10.280 2.658 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.074 -9.903 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.105 -7.556 3.720 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.806 -7.662 2.118 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.534 -7.291 0.717 1.00 0.00 H new ATOM 682 N GLU A 44 0.528 -11.249 4.198 1.00 0.00 N ATOM 683 CA GLU A 44 1.497 -11.906 5.121 1.00 0.00 C ATOM 684 C GLU A 44 2.392 -12.887 4.355 1.00 0.00 C ATOM 685 O GLU A 44 3.475 -13.219 4.791 1.00 0.00 O ATOM 686 CB GLU A 44 0.634 -12.653 6.137 1.00 0.00 C ATOM 687 CG GLU A 44 1.490 -13.047 7.342 1.00 0.00 C ATOM 688 CD GLU A 44 0.749 -12.694 8.633 1.00 0.00 C ATOM 689 OE1 GLU A 44 -0.400 -13.085 8.758 1.00 0.00 O ATOM 690 OE2 GLU A 44 1.342 -12.038 9.474 1.00 0.00 O ATOM 0 H GLU A 44 -0.328 -11.775 4.020 1.00 0.00 H new ATOM 0 HA GLU A 44 2.160 -11.183 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.196 -12.024 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.201 -13.542 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.705 -14.115 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.448 -12.528 7.306 1.00 0.00 H new ATOM 697 N ARG A 45 1.949 -13.353 3.219 1.00 0.00 N ATOM 698 CA ARG A 45 2.782 -14.311 2.436 1.00 0.00 C ATOM 699 C ARG A 45 3.503 -13.582 1.300 1.00 0.00 C ATOM 700 O ARG A 45 3.141 -12.485 0.926 1.00 0.00 O ATOM 701 CB ARG A 45 1.792 -15.335 1.877 1.00 0.00 C ATOM 702 CG ARG A 45 2.058 -16.701 2.513 1.00 0.00 C ATOM 703 CD ARG A 45 1.801 -17.804 1.484 1.00 0.00 C ATOM 704 NE ARG A 45 2.077 -19.076 2.208 1.00 0.00 N ATOM 705 CZ ARG A 45 2.532 -20.111 1.559 1.00 0.00 C ATOM 706 NH1 ARG A 45 3.740 -20.092 1.065 1.00 0.00 N ATOM 707 NH2 ARG A 45 1.780 -21.166 1.401 1.00 0.00 N ATOM 0 H ARG A 45 1.050 -13.113 2.800 1.00 0.00 H new ATOM 0 HA ARG A 45 3.552 -14.782 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.770 -15.019 2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.893 -15.400 0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.087 -16.754 2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.413 -16.841 3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.774 -17.772 1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.452 -17.694 0.616 1.00 0.00 H new ATOM 0 HE ARG A 45 1.910 -19.137 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.328 -19.267 1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.096 -20.902 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.835 -21.181 1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.137 -21.975 0.893 1.00 0.00 H new ATOM 721 N VAL A 46 4.523 -14.182 0.749 1.00 0.00 N ATOM 722 CA VAL A 46 5.267 -13.521 -0.361 1.00 0.00 C ATOM 723 C VAL A 46 5.498 -14.510 -1.507 1.00 0.00 C ATOM 724 O VAL A 46 5.593 -15.704 -1.301 1.00 0.00 O ATOM 725 CB VAL A 46 6.600 -13.095 0.254 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.297 -14.314 0.860 1.00 0.00 C ATOM 727 CG2 VAL A 46 7.491 -12.485 -0.831 1.00 0.00 C ATOM 0 H VAL A 46 4.873 -15.101 1.019 1.00 0.00 H new ATOM 0 HA VAL A 46 4.720 -12.675 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 46 6.419 -12.356 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.247 -14.009 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.663 -14.748 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.478 -15.055 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.442 -12.181 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.671 -13.224 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.996 -11.615 -1.262 1.00 0.00 H new ATOM 737 N ASP A 47 5.586 -14.023 -2.715 1.00 0.00 N ATOM 738 CA ASP A 47 5.809 -14.936 -3.873 1.00 0.00 C ATOM 739 C ASP A 47 7.306 -15.058 -4.170 1.00 0.00 C ATOM 740 O ASP A 47 7.715 -15.193 -5.306 1.00 0.00 O ATOM 741 CB ASP A 47 5.082 -14.274 -5.044 1.00 0.00 C ATOM 742 CG ASP A 47 4.905 -15.289 -6.175 1.00 0.00 C ATOM 743 OD1 ASP A 47 4.233 -16.283 -5.954 1.00 0.00 O ATOM 744 OD2 ASP A 47 5.447 -15.056 -7.243 1.00 0.00 O ATOM 0 H ASP A 47 5.513 -13.033 -2.950 1.00 0.00 H new ATOM 0 HA ASP A 47 5.441 -15.944 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.110 -13.903 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.650 -13.414 -5.399 1.00 0.00 H new ATOM 749 N LEU A 48 8.127 -15.008 -3.157 1.00 0.00 N ATOM 750 CA LEU A 48 9.598 -15.121 -3.383 1.00 0.00 C ATOM 751 C LEU A 48 10.232 -16.009 -2.309 1.00 0.00 C ATOM 752 O LEU A 48 9.613 -16.340 -1.318 1.00 0.00 O ATOM 753 CB LEU A 48 10.124 -13.689 -3.274 1.00 0.00 C ATOM 754 CG LEU A 48 10.058 -13.015 -4.646 1.00 0.00 C ATOM 755 CD1 LEU A 48 9.703 -11.537 -4.473 1.00 0.00 C ATOM 756 CD2 LEU A 48 11.420 -13.133 -5.337 1.00 0.00 C ATOM 0 H LEU A 48 7.845 -14.894 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 48 9.835 -15.571 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.532 -13.127 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.151 -13.694 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 48 9.296 -13.503 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.656 -11.057 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.735 -11.451 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.465 -11.049 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.375 -12.653 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.181 -12.644 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.675 -14.185 -5.461 1.00 0.00 H new ATOM 768 N PHE A 49 11.464 -16.394 -2.499 1.00 0.00 N ATOM 769 CA PHE A 49 12.140 -17.260 -1.489 1.00 0.00 C ATOM 770 C PHE A 49 12.852 -16.395 -0.445 1.00 0.00 C ATOM 771 O PHE A 49 12.527 -16.424 0.726 1.00 0.00 O ATOM 772 CB PHE A 49 13.153 -18.081 -2.287 1.00 0.00 C ATOM 773 CG PHE A 49 12.979 -19.546 -1.968 1.00 0.00 C ATOM 774 CD1 PHE A 49 13.216 -20.014 -0.670 1.00 0.00 C ATOM 775 CD2 PHE A 49 12.580 -20.437 -2.973 1.00 0.00 C ATOM 776 CE1 PHE A 49 13.054 -21.373 -0.376 1.00 0.00 C ATOM 777 CE2 PHE A 49 12.418 -21.796 -2.677 1.00 0.00 C ATOM 778 CZ PHE A 49 12.656 -22.264 -1.380 1.00 0.00 C ATOM 0 H PHE A 49 12.032 -16.147 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 49 11.436 -17.894 -0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 49 13.014 -17.912 -3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 49 14.167 -17.763 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.524 -19.327 0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.398 -20.076 -3.974 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.236 -21.734 0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.109 -22.484 -3.450 1.00 0.00 H new ATOM 0 HZ PHE A 49 12.533 -23.313 -1.153 1.00 0.00 H new ATOM 788 N TYR A 50 13.822 -15.627 -0.860 1.00 0.00 N ATOM 789 CA TYR A 50 14.554 -14.761 0.108 1.00 0.00 C ATOM 790 C TYR A 50 13.814 -13.435 0.296 1.00 0.00 C ATOM 791 O TYR A 50 12.846 -13.419 1.038 1.00 0.00 O ATOM 792 CB TYR A 50 15.924 -14.527 -0.531 1.00 0.00 C ATOM 793 CG TYR A 50 16.971 -14.409 0.551 1.00 0.00 C ATOM 794 CD1 TYR A 50 17.020 -13.265 1.355 1.00 0.00 C ATOM 795 CD2 TYR A 50 17.893 -15.444 0.747 1.00 0.00 C ATOM 796 CE1 TYR A 50 17.992 -13.156 2.357 1.00 0.00 C ATOM 797 CE2 TYR A 50 18.864 -15.334 1.749 1.00 0.00 C ATOM 798 CZ TYR A 50 18.914 -14.189 2.554 1.00 0.00 C ATOM 799 OH TYR A 50 19.872 -14.081 3.541 1.00 0.00 O ATOM 800 OXT TYR A 50 14.229 -12.457 -0.306 1.00 0.00 O ATOM 0 H TYR A 50 14.139 -15.562 -1.827 1.00 0.00 H new ATOM 0 HA TYR A 50 14.636 -15.219 1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 50 16.170 -15.351 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 50 15.905 -13.619 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 50 16.309 -12.467 1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.855 -16.327 0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 50 18.030 -12.273 2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 50 19.575 -16.132 1.902 1.00 0.00 H new ATOM 0 HH TYR A 50 20.431 -14.886 3.544 1.00 0.00 H new TER 810 TYR A 50