USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 366 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -49:sc= 0.691 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 24:sc= 0.964 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 43:sc= 0.0842 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0269 USER MOD Single : A 18 THR OG1 : rot 41:sc= 0.786 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -0.0278 (180deg=-0.26) USER MOD Single : A 31 SER OG : rot 100:sc= -1.37 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 40:sc= 0.00237 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.76! C(o=-3.8!,f=-6.6!) USER MOD Single : A 42 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : A 46 ASN : amide:sc= -0.353 K(o=-0.35,f=-3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -170:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.0509 (180deg=-0.333) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.364 -20.285 -32.148 1.00 0.00 N ATOM 2 CA GLY A 1 1.292 -21.400 -32.153 1.00 0.00 C ATOM 3 C GLY A 1 2.657 -21.022 -31.615 1.00 0.00 C ATOM 4 O GLY A 1 2.765 -20.403 -30.556 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.554 -20.596 -32.525 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.240 -19.941 -31.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.740 -19.518 -32.741 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.881 -22.213 -31.554 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.398 -21.776 -33.171 1.00 0.00 H new ATOM 8 N SER A 2 3.704 -21.394 -32.345 1.00 0.00 N ATOM 9 CA SER A 2 5.070 -21.094 -31.931 1.00 0.00 C ATOM 10 C SER A 2 5.322 -21.568 -30.503 1.00 0.00 C ATOM 11 O SER A 2 5.948 -20.869 -29.707 1.00 0.00 O ATOM 12 CB SER A 2 5.339 -19.592 -32.037 1.00 0.00 C ATOM 13 OG SER A 2 6.689 -19.293 -31.728 1.00 0.00 O ATOM 0 H SER A 2 3.632 -21.903 -33.226 1.00 0.00 H new ATOM 0 HA SER A 2 5.750 -21.626 -32.597 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.109 -19.248 -33.045 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.679 -19.052 -31.358 1.00 0.00 H new ATOM 0 HG SER A 2 6.939 -19.738 -30.892 1.00 0.00 H new ATOM 19 N SER A 3 4.829 -22.762 -30.187 1.00 0.00 N ATOM 20 CA SER A 3 4.997 -23.330 -28.855 1.00 0.00 C ATOM 21 C SER A 3 5.204 -24.839 -28.929 1.00 0.00 C ATOM 22 O SER A 3 4.254 -25.599 -29.119 1.00 0.00 O ATOM 23 CB SER A 3 3.779 -23.012 -27.985 1.00 0.00 C ATOM 24 OG SER A 3 3.844 -23.697 -26.747 1.00 0.00 O ATOM 0 H SER A 3 4.310 -23.354 -30.836 1.00 0.00 H new ATOM 0 HA SER A 3 5.883 -22.882 -28.405 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.725 -21.938 -27.807 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.868 -23.294 -28.513 1.00 0.00 H new ATOM 0 HG SER A 3 3.055 -23.476 -26.209 1.00 0.00 H new ATOM 30 N GLY A 4 6.454 -25.268 -28.779 1.00 0.00 N ATOM 31 CA GLY A 4 6.764 -26.684 -28.833 1.00 0.00 C ATOM 32 C GLY A 4 8.048 -26.968 -29.587 1.00 0.00 C ATOM 33 O GLY A 4 8.772 -26.047 -29.962 1.00 0.00 O ATOM 0 H GLY A 4 7.257 -24.659 -28.621 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.848 -27.073 -27.818 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.941 -27.215 -29.311 1.00 0.00 H new ATOM 37 N SER A 5 8.332 -28.248 -29.807 1.00 0.00 N ATOM 38 CA SER A 5 9.540 -28.652 -30.517 1.00 0.00 C ATOM 39 C SER A 5 9.198 -29.248 -31.878 1.00 0.00 C ATOM 40 O SER A 5 8.305 -30.088 -31.993 1.00 0.00 O ATOM 41 CB SER A 5 10.329 -29.666 -29.687 1.00 0.00 C ATOM 42 OG SER A 5 11.548 -30.009 -30.324 1.00 0.00 O ATOM 0 H SER A 5 7.742 -29.023 -29.504 1.00 0.00 H new ATOM 0 HA SER A 5 10.153 -27.765 -30.673 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.535 -29.251 -28.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.729 -30.563 -29.537 1.00 0.00 H new ATOM 0 HG SER A 5 12.034 -30.657 -29.773 1.00 0.00 H new ATOM 48 N SER A 6 9.914 -28.808 -32.908 1.00 0.00 N ATOM 49 CA SER A 6 9.684 -29.294 -34.263 1.00 0.00 C ATOM 50 C SER A 6 10.871 -30.119 -34.753 1.00 0.00 C ATOM 51 O SER A 6 11.998 -29.937 -34.295 1.00 0.00 O ATOM 52 CB SER A 6 9.437 -28.121 -35.213 1.00 0.00 C ATOM 53 OG SER A 6 8.168 -27.535 -34.980 1.00 0.00 O ATOM 0 H SER A 6 10.659 -28.115 -32.829 1.00 0.00 H new ATOM 0 HA SER A 6 8.801 -29.933 -34.249 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.217 -27.371 -35.081 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.498 -28.466 -36.245 1.00 0.00 H new ATOM 0 HG SER A 6 8.035 -26.787 -35.599 1.00 0.00 H new ATOM 59 N GLY A 7 10.607 -31.027 -35.687 1.00 0.00 N ATOM 60 CA GLY A 7 11.662 -31.867 -36.224 1.00 0.00 C ATOM 61 C GLY A 7 12.626 -31.095 -37.103 1.00 0.00 C ATOM 62 O GLY A 7 13.824 -31.042 -36.824 1.00 0.00 O ATOM 0 H GLY A 7 9.682 -31.196 -36.082 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.212 -32.325 -35.402 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.218 -32.678 -36.801 1.00 0.00 H new ATOM 66 N SER A 8 12.104 -30.496 -38.169 1.00 0.00 N ATOM 67 CA SER A 8 12.929 -29.728 -39.095 1.00 0.00 C ATOM 68 C SER A 8 12.170 -28.513 -39.618 1.00 0.00 C ATOM 69 O SER A 8 11.144 -28.648 -40.285 1.00 0.00 O ATOM 70 CB SER A 8 13.374 -30.608 -40.264 1.00 0.00 C ATOM 71 OG SER A 8 14.219 -29.892 -41.148 1.00 0.00 O ATOM 0 H SER A 8 11.114 -30.528 -38.413 1.00 0.00 H new ATOM 0 HA SER A 8 13.810 -29.380 -38.556 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.899 -31.485 -39.884 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.499 -30.970 -40.805 1.00 0.00 H new ATOM 0 HG SER A 8 14.491 -30.477 -41.886 1.00 0.00 H new ATOM 77 N SER A 9 12.682 -27.326 -39.311 1.00 0.00 N ATOM 78 CA SER A 9 12.051 -26.085 -39.746 1.00 0.00 C ATOM 79 C SER A 9 13.096 -25.088 -40.239 1.00 0.00 C ATOM 80 O SER A 9 14.295 -25.276 -40.033 1.00 0.00 O ATOM 81 CB SER A 9 11.242 -25.470 -38.602 1.00 0.00 C ATOM 82 OG SER A 9 10.319 -26.404 -38.071 1.00 0.00 O ATOM 0 H SER A 9 13.532 -27.197 -38.763 1.00 0.00 H new ATOM 0 HA SER A 9 11.379 -26.318 -40.572 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.917 -25.133 -37.815 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.708 -24.591 -38.962 1.00 0.00 H new ATOM 0 HG SER A 9 9.816 -25.987 -37.341 1.00 0.00 H new ATOM 88 N SER A 10 12.631 -24.027 -40.891 1.00 0.00 N ATOM 89 CA SER A 10 13.524 -23.002 -41.417 1.00 0.00 C ATOM 90 C SER A 10 14.403 -22.427 -40.310 1.00 0.00 C ATOM 91 O SER A 10 14.084 -22.540 -39.126 1.00 0.00 O ATOM 92 CB SER A 10 12.717 -21.882 -42.076 1.00 0.00 C ATOM 93 OG SER A 10 11.914 -21.204 -41.125 1.00 0.00 O ATOM 0 H SER A 10 11.641 -23.855 -41.067 1.00 0.00 H new ATOM 0 HA SER A 10 14.168 -23.465 -42.165 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.394 -21.175 -42.555 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.084 -22.298 -42.860 1.00 0.00 H new ATOM 0 HG SER A 10 11.410 -20.492 -41.571 1.00 0.00 H new ATOM 99 N SER A 11 15.512 -21.810 -40.704 1.00 0.00 N ATOM 100 CA SER A 11 16.440 -21.220 -39.746 1.00 0.00 C ATOM 101 C SER A 11 16.572 -19.717 -39.972 1.00 0.00 C ATOM 102 O SER A 11 17.102 -19.275 -40.992 1.00 0.00 O ATOM 103 CB SER A 11 17.813 -21.886 -39.858 1.00 0.00 C ATOM 104 OG SER A 11 18.436 -21.567 -41.090 1.00 0.00 O ATOM 0 H SER A 11 15.790 -21.706 -41.680 1.00 0.00 H new ATOM 0 HA SER A 11 16.044 -21.386 -38.744 1.00 0.00 H new ATOM 0 HB2 SER A 11 18.446 -21.562 -39.032 1.00 0.00 H new ATOM 0 HB3 SER A 11 17.704 -22.967 -39.771 1.00 0.00 H new ATOM 0 HG SER A 11 18.066 -20.728 -41.436 1.00 0.00 H new ATOM 110 N CYS A 12 16.085 -18.936 -39.014 1.00 0.00 N ATOM 111 CA CYS A 12 16.146 -17.482 -39.107 1.00 0.00 C ATOM 112 C CYS A 12 15.934 -16.840 -37.740 1.00 0.00 C ATOM 113 O CYS A 12 15.466 -17.488 -36.803 1.00 0.00 O ATOM 114 CB CYS A 12 15.096 -16.968 -40.094 1.00 0.00 C ATOM 115 SG CYS A 12 13.393 -17.135 -39.511 1.00 0.00 S ATOM 0 H CYS A 12 15.643 -19.286 -38.164 1.00 0.00 H new ATOM 0 HA CYS A 12 17.137 -17.207 -39.467 1.00 0.00 H new ATOM 0 HB2 CYS A 12 15.295 -15.917 -40.306 1.00 0.00 H new ATOM 0 HB3 CYS A 12 15.202 -17.508 -41.035 1.00 0.00 H new ATOM 0 HG CYS A 12 12.578 -16.672 -40.412 1.00 0.00 H new ATOM 121 N THR A 13 16.283 -15.562 -37.632 1.00 0.00 N ATOM 122 CA THR A 13 16.134 -14.832 -36.379 1.00 0.00 C ATOM 123 C THR A 13 15.604 -13.424 -36.622 1.00 0.00 C ATOM 124 O THR A 13 16.014 -12.750 -37.567 1.00 0.00 O ATOM 125 CB THR A 13 17.471 -14.741 -35.619 1.00 0.00 C ATOM 126 OG1 THR A 13 17.981 -16.055 -35.365 1.00 0.00 O ATOM 127 CG2 THR A 13 17.297 -13.997 -34.304 1.00 0.00 C ATOM 0 H THR A 13 16.671 -15.011 -38.398 1.00 0.00 H new ATOM 0 HA THR A 13 15.417 -15.387 -35.774 1.00 0.00 H new ATOM 0 HB THR A 13 18.178 -14.190 -36.239 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.832 -15.988 -34.883 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.254 -13.946 -33.786 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.937 -12.987 -34.502 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.575 -14.524 -33.681 1.00 0.00 H new ATOM 135 N VAL A 14 14.691 -12.983 -35.763 1.00 0.00 N ATOM 136 CA VAL A 14 14.106 -11.653 -35.884 1.00 0.00 C ATOM 137 C VAL A 14 15.121 -10.572 -35.529 1.00 0.00 C ATOM 138 O VAL A 14 15.650 -10.543 -34.417 1.00 0.00 O ATOM 139 CB VAL A 14 12.870 -11.499 -34.978 1.00 0.00 C ATOM 140 CG1 VAL A 14 13.264 -11.612 -33.513 1.00 0.00 C ATOM 141 CG2 VAL A 14 12.172 -10.175 -35.250 1.00 0.00 C ATOM 0 H VAL A 14 14.340 -13.528 -34.975 1.00 0.00 H new ATOM 0 HA VAL A 14 13.802 -11.534 -36.924 1.00 0.00 H new ATOM 0 HB VAL A 14 12.172 -12.305 -35.205 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.378 -11.501 -32.888 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.715 -12.587 -33.332 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.981 -10.829 -33.268 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.301 -10.083 -34.601 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.860 -9.353 -35.052 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.854 -10.139 -36.292 1.00 0.00 H new ATOM 151 N THR A 15 15.388 -9.683 -36.480 1.00 0.00 N ATOM 152 CA THR A 15 16.340 -8.600 -36.269 1.00 0.00 C ATOM 153 C THR A 15 15.659 -7.382 -35.655 1.00 0.00 C ATOM 154 O THR A 15 14.667 -6.879 -36.183 1.00 0.00 O ATOM 155 CB THR A 15 17.019 -8.184 -37.587 1.00 0.00 C ATOM 156 OG1 THR A 15 16.028 -7.918 -38.586 1.00 0.00 O ATOM 157 CG2 THR A 15 17.961 -9.273 -38.078 1.00 0.00 C ATOM 0 H THR A 15 14.958 -9.692 -37.405 1.00 0.00 H new ATOM 0 HA THR A 15 17.098 -8.975 -35.581 1.00 0.00 H new ATOM 0 HB THR A 15 17.599 -7.280 -37.401 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.298 -7.397 -38.192 1.00 0.00 H new ATOM 0 HG21 THR A 15 18.429 -8.956 -39.010 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.731 -9.453 -37.328 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.399 -10.191 -38.248 1.00 0.00 H new ATOM 165 N THR A 16 16.198 -6.911 -34.535 1.00 0.00 N ATOM 166 CA THR A 16 15.643 -5.751 -33.848 1.00 0.00 C ATOM 167 C THR A 16 16.718 -5.012 -33.060 1.00 0.00 C ATOM 168 O THR A 16 17.534 -5.627 -32.375 1.00 0.00 O ATOM 169 CB THR A 16 14.508 -6.157 -32.889 1.00 0.00 C ATOM 170 OG1 THR A 16 13.459 -6.805 -33.618 1.00 0.00 O ATOM 171 CG2 THR A 16 13.952 -4.941 -32.164 1.00 0.00 C ATOM 0 H THR A 16 17.019 -7.315 -34.084 1.00 0.00 H new ATOM 0 HA THR A 16 15.241 -5.091 -34.617 1.00 0.00 H new ATOM 0 HB THR A 16 14.916 -6.846 -32.150 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.742 -7.061 -33.001 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.152 -5.252 -31.492 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.746 -4.467 -31.587 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.559 -4.231 -32.892 1.00 0.00 H new ATOM 179 N GLY A 17 16.712 -3.686 -33.161 1.00 0.00 N ATOM 180 CA GLY A 17 17.692 -2.884 -32.451 1.00 0.00 C ATOM 181 C GLY A 17 17.533 -1.401 -32.722 1.00 0.00 C ATOM 182 O GLY A 17 18.376 -0.787 -33.377 1.00 0.00 O ATOM 0 H GLY A 17 16.047 -3.153 -33.721 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.600 -3.067 -31.380 1.00 0.00 H new ATOM 0 HA3 GLY A 17 18.694 -3.198 -32.743 1.00 0.00 H new ATOM 186 N THR A 18 16.448 -0.822 -32.219 1.00 0.00 N ATOM 187 CA THR A 18 16.179 0.597 -32.412 1.00 0.00 C ATOM 188 C THR A 18 15.876 1.286 -31.086 1.00 0.00 C ATOM 189 O THR A 18 14.774 1.165 -30.550 1.00 0.00 O ATOM 190 CB THR A 18 14.997 0.820 -33.375 1.00 0.00 C ATOM 191 OG1 THR A 18 13.827 0.164 -32.873 1.00 0.00 O ATOM 192 CG2 THR A 18 15.324 0.292 -34.764 1.00 0.00 C ATOM 0 H THR A 18 15.740 -1.315 -31.674 1.00 0.00 H new ATOM 0 HA THR A 18 17.079 1.032 -32.847 1.00 0.00 H new ATOM 0 HB THR A 18 14.811 1.892 -33.446 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.770 0.293 -31.903 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.475 0.460 -35.426 1.00 0.00 H new ATOM 0 HG22 THR A 18 16.198 0.813 -35.155 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.534 -0.776 -34.707 1.00 0.00 H new ATOM 200 N LEU A 19 16.860 2.008 -30.562 1.00 0.00 N ATOM 201 CA LEU A 19 16.698 2.717 -29.297 1.00 0.00 C ATOM 202 C LEU A 19 16.336 4.179 -29.535 1.00 0.00 C ATOM 203 O LEU A 19 17.127 4.943 -30.087 1.00 0.00 O ATOM 204 CB LEU A 19 17.982 2.626 -28.471 1.00 0.00 C ATOM 205 CG LEU A 19 18.382 1.226 -28.003 1.00 0.00 C ATOM 206 CD1 LEU A 19 19.848 1.196 -27.599 1.00 0.00 C ATOM 207 CD2 LEU A 19 17.499 0.777 -26.848 1.00 0.00 C ATOM 0 H LEU A 19 17.778 2.118 -30.993 1.00 0.00 H new ATOM 0 HA LEU A 19 15.884 2.245 -28.746 1.00 0.00 H new ATOM 0 HB2 LEU A 19 18.800 3.037 -29.062 1.00 0.00 H new ATOM 0 HB3 LEU A 19 17.871 3.263 -27.593 1.00 0.00 H new ATOM 0 HG LEU A 19 18.241 0.533 -28.832 1.00 0.00 H new ATOM 0 HD11 LEU A 19 20.114 0.192 -27.269 1.00 0.00 H new ATOM 0 HD12 LEU A 19 20.466 1.473 -28.453 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.016 1.902 -26.785 1.00 0.00 H new ATOM 0 HD21 LEU A 19 17.798 -0.221 -26.528 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.607 1.472 -26.016 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.458 0.758 -27.172 1.00 0.00 H new ATOM 219 N GLY A 20 15.135 4.563 -29.113 1.00 0.00 N ATOM 220 CA GLY A 20 14.690 5.933 -29.287 1.00 0.00 C ATOM 221 C GLY A 20 15.606 6.931 -28.608 1.00 0.00 C ATOM 222 O GLY A 20 16.805 6.688 -28.465 1.00 0.00 O ATOM 0 H GLY A 20 14.462 3.949 -28.654 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.635 6.161 -30.351 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.682 6.038 -28.886 1.00 0.00 H new ATOM 226 N PHE A 21 15.043 8.059 -28.188 1.00 0.00 N ATOM 227 CA PHE A 21 15.818 9.099 -27.523 1.00 0.00 C ATOM 228 C PHE A 21 15.678 8.996 -26.007 1.00 0.00 C ATOM 229 O PHE A 21 16.670 8.884 -25.287 1.00 0.00 O ATOM 230 CB PHE A 21 15.365 10.483 -27.994 1.00 0.00 C ATOM 231 CG PHE A 21 13.899 10.736 -27.789 1.00 0.00 C ATOM 232 CD1 PHE A 21 12.959 10.165 -28.632 1.00 0.00 C ATOM 233 CD2 PHE A 21 13.461 11.545 -26.753 1.00 0.00 C ATOM 234 CE1 PHE A 21 11.609 10.396 -28.445 1.00 0.00 C ATOM 235 CE2 PHE A 21 12.112 11.779 -26.561 1.00 0.00 C ATOM 236 CZ PHE A 21 11.185 11.205 -27.409 1.00 0.00 C ATOM 0 H PHE A 21 14.052 8.276 -28.297 1.00 0.00 H new ATOM 0 HA PHE A 21 16.867 8.958 -27.785 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.935 11.244 -27.461 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.600 10.593 -29.053 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.285 9.532 -29.444 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.181 11.998 -26.088 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.886 9.944 -29.108 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.783 12.410 -25.749 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.131 11.388 -27.262 1.00 0.00 H new ATOM 246 N GLY A 22 14.438 9.033 -25.528 1.00 0.00 N ATOM 247 CA GLY A 22 14.191 8.943 -24.101 1.00 0.00 C ATOM 248 C GLY A 22 12.823 8.371 -23.785 1.00 0.00 C ATOM 249 O GLY A 22 12.000 9.028 -23.148 1.00 0.00 O ATOM 0 H GLY A 22 13.600 9.124 -26.103 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.957 8.319 -23.641 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.278 9.935 -23.657 1.00 0.00 H new ATOM 253 N ASP A 23 12.580 7.144 -24.232 1.00 0.00 N ATOM 254 CA ASP A 23 11.302 6.483 -23.993 1.00 0.00 C ATOM 255 C ASP A 23 11.242 5.908 -22.581 1.00 0.00 C ATOM 256 O ASP A 23 11.976 4.978 -22.246 1.00 0.00 O ATOM 257 CB ASP A 23 11.079 5.371 -25.019 1.00 0.00 C ATOM 258 CG ASP A 23 9.832 4.559 -24.732 1.00 0.00 C ATOM 259 OD1 ASP A 23 9.693 4.069 -23.592 1.00 0.00 O ATOM 260 OD2 ASP A 23 8.995 4.412 -25.647 1.00 0.00 O ATOM 0 H ASP A 23 13.251 6.587 -24.762 1.00 0.00 H new ATOM 0 HA ASP A 23 10.512 7.227 -24.097 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.002 5.809 -26.014 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.945 4.710 -25.028 1.00 0.00 H new ATOM 265 N LYS A 24 10.365 6.469 -21.756 1.00 0.00 N ATOM 266 CA LYS A 24 10.208 6.014 -20.380 1.00 0.00 C ATOM 267 C LYS A 24 8.880 5.286 -20.195 1.00 0.00 C ATOM 268 O LYS A 24 7.884 5.620 -20.837 1.00 0.00 O ATOM 269 CB LYS A 24 10.290 7.200 -19.416 1.00 0.00 C ATOM 270 CG LYS A 24 10.226 6.800 -17.952 1.00 0.00 C ATOM 271 CD LYS A 24 9.927 7.993 -17.061 1.00 0.00 C ATOM 272 CE LYS A 24 8.466 8.405 -17.153 1.00 0.00 C ATOM 273 NZ LYS A 24 8.226 9.740 -16.537 1.00 0.00 N ATOM 0 H LYS A 24 9.751 7.241 -22.017 1.00 0.00 H new ATOM 0 HA LYS A 24 11.017 5.318 -20.160 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.220 7.740 -19.596 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.474 7.890 -19.632 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.457 6.040 -17.815 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.174 6.351 -17.655 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.172 7.747 -16.028 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.561 8.831 -17.349 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.160 8.427 -18.199 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.846 7.659 -16.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.219 9.985 -16.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.494 9.712 -15.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.798 10.457 -17.028 1.00 0.00 H new ATOM 287 N PHE A 25 8.873 4.292 -19.314 1.00 0.00 N ATOM 288 CA PHE A 25 7.667 3.518 -19.045 1.00 0.00 C ATOM 289 C PHE A 25 6.575 4.401 -18.449 1.00 0.00 C ATOM 290 O PHE A 25 6.847 5.494 -17.950 1.00 0.00 O ATOM 291 CB PHE A 25 7.980 2.362 -18.092 1.00 0.00 C ATOM 292 CG PHE A 25 7.052 1.191 -18.246 1.00 0.00 C ATOM 293 CD1 PHE A 25 6.909 0.559 -19.471 1.00 0.00 C ATOM 294 CD2 PHE A 25 6.323 0.721 -17.165 1.00 0.00 C ATOM 295 CE1 PHE A 25 6.056 -0.518 -19.615 1.00 0.00 C ATOM 296 CE2 PHE A 25 5.468 -0.356 -17.303 1.00 0.00 C ATOM 297 CZ PHE A 25 5.335 -0.977 -18.530 1.00 0.00 C ATOM 0 H PHE A 25 9.689 4.003 -18.774 1.00 0.00 H new ATOM 0 HA PHE A 25 7.307 3.114 -19.991 1.00 0.00 H new ATOM 0 HB2 PHE A 25 9.004 2.029 -18.261 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.928 2.724 -17.065 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.471 0.913 -20.323 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.424 1.202 -16.203 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.953 -1.001 -20.576 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.905 -0.712 -16.453 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.669 -1.820 -18.641 1.00 0.00 H new ATOM 307 N LYS A 26 5.338 3.921 -18.505 1.00 0.00 N ATOM 308 CA LYS A 26 4.203 4.665 -17.971 1.00 0.00 C ATOM 309 C LYS A 26 3.642 3.983 -16.727 1.00 0.00 C ATOM 310 O LYS A 26 3.051 2.907 -16.811 1.00 0.00 O ATOM 311 CB LYS A 26 3.107 4.794 -19.032 1.00 0.00 C ATOM 312 CG LYS A 26 2.172 5.968 -18.800 1.00 0.00 C ATOM 313 CD LYS A 26 2.717 7.246 -19.416 1.00 0.00 C ATOM 314 CE LYS A 26 1.868 8.451 -19.042 1.00 0.00 C ATOM 315 NZ LYS A 26 1.935 8.746 -17.584 1.00 0.00 N ATOM 0 H LYS A 26 5.095 3.019 -18.915 1.00 0.00 H new ATOM 0 HA LYS A 26 4.551 5.660 -17.693 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.572 4.899 -20.012 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.523 3.874 -19.053 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.194 5.745 -19.227 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.027 6.112 -17.729 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.742 7.404 -19.081 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.748 7.144 -20.501 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.205 9.322 -19.604 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.832 8.268 -19.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.594 9.713 -17.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.339 8.070 -17.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.919 8.661 -17.258 1.00 0.00 H new ATOM 329 N ARG A 27 3.831 4.618 -15.575 1.00 0.00 N ATOM 330 CA ARG A 27 3.344 4.073 -14.313 1.00 0.00 C ATOM 331 C ARG A 27 2.743 5.172 -13.442 1.00 0.00 C ATOM 332 O ARG A 27 3.116 6.342 -13.530 1.00 0.00 O ATOM 333 CB ARG A 27 4.480 3.375 -13.562 1.00 0.00 C ATOM 334 CG ARG A 27 5.537 4.330 -13.033 1.00 0.00 C ATOM 335 CD ARG A 27 6.737 3.580 -12.477 1.00 0.00 C ATOM 336 NE ARG A 27 6.455 2.985 -11.174 1.00 0.00 N ATOM 337 CZ ARG A 27 7.361 2.334 -10.452 1.00 0.00 C ATOM 338 NH1 ARG A 27 8.599 2.196 -10.904 1.00 0.00 N ATOM 339 NH2 ARG A 27 7.028 1.820 -9.275 1.00 0.00 N ATOM 0 H ARG A 27 4.318 5.510 -15.489 1.00 0.00 H new ATOM 0 HA ARG A 27 2.565 3.345 -14.537 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.061 2.812 -12.728 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.954 2.653 -14.227 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.861 4.995 -13.833 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.105 4.957 -12.253 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.031 2.798 -13.177 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.582 4.263 -12.388 1.00 0.00 H new ATOM 0 HE ARG A 27 5.511 3.074 -10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.859 2.590 -11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.292 1.696 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.076 1.924 -8.924 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.724 1.320 -8.721 1.00 0.00 H new ATOM 353 N PRO A 28 1.790 4.789 -12.580 1.00 0.00 N ATOM 354 CA PRO A 28 1.117 5.726 -11.676 1.00 0.00 C ATOM 355 C PRO A 28 2.042 6.237 -10.577 1.00 0.00 C ATOM 356 O PRO A 28 2.672 5.451 -9.868 1.00 0.00 O ATOM 357 CB PRO A 28 -0.015 4.889 -11.075 1.00 0.00 C ATOM 358 CG PRO A 28 0.463 3.481 -11.171 1.00 0.00 C ATOM 359 CD PRO A 28 1.295 3.411 -12.421 1.00 0.00 C ATOM 0 HA PRO A 28 0.774 6.620 -12.198 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.210 5.171 -10.040 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.946 5.029 -11.624 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.051 3.208 -10.295 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.376 2.787 -11.221 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.114 2.699 -12.319 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.703 3.095 -13.280 1.00 0.00 H new ATOM 367 N ILE A 29 2.120 7.556 -10.441 1.00 0.00 N ATOM 368 CA ILE A 29 2.968 8.171 -9.427 1.00 0.00 C ATOM 369 C ILE A 29 2.302 8.130 -8.055 1.00 0.00 C ATOM 370 O ILE A 29 1.080 8.222 -7.944 1.00 0.00 O ATOM 371 CB ILE A 29 3.299 9.633 -9.781 1.00 0.00 C ATOM 372 CG1 ILE A 29 4.001 9.705 -11.138 1.00 0.00 C ATOM 373 CG2 ILE A 29 4.164 10.257 -8.696 1.00 0.00 C ATOM 374 CD1 ILE A 29 5.322 8.968 -11.175 1.00 0.00 C ATOM 0 H ILE A 29 1.606 8.220 -11.020 1.00 0.00 H new ATOM 0 HA ILE A 29 3.893 7.595 -9.397 1.00 0.00 H new ATOM 0 HB ILE A 29 2.368 10.197 -9.845 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.342 9.291 -11.901 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.170 10.751 -11.395 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.390 11.290 -8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.630 10.234 -7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.093 9.695 -8.603 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.763 9.062 -12.167 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.998 9.396 -10.435 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.157 7.914 -10.949 1.00 0.00 H new ATOM 386 N GLY A 30 3.116 7.993 -7.012 1.00 0.00 N ATOM 387 CA GLY A 30 2.588 7.944 -5.661 1.00 0.00 C ATOM 388 C GLY A 30 2.050 6.574 -5.298 1.00 0.00 C ATOM 389 O GLY A 30 2.393 6.022 -4.253 1.00 0.00 O ATOM 0 H GLY A 30 4.131 7.915 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.373 8.221 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.793 8.682 -5.558 1.00 0.00 H new ATOM 393 N SER A 31 1.203 6.025 -6.163 1.00 0.00 N ATOM 394 CA SER A 31 0.612 4.713 -5.925 1.00 0.00 C ATOM 395 C SER A 31 1.695 3.651 -5.759 1.00 0.00 C ATOM 396 O SER A 31 2.723 3.688 -6.434 1.00 0.00 O ATOM 397 CB SER A 31 -0.319 4.333 -7.078 1.00 0.00 C ATOM 398 OG SER A 31 0.419 3.910 -8.211 1.00 0.00 O ATOM 0 H SER A 31 0.911 6.468 -7.034 1.00 0.00 H new ATOM 0 HA SER A 31 0.034 4.764 -5.002 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.991 3.536 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.941 5.187 -7.344 1.00 0.00 H new ATOM 0 HG SER A 31 0.428 2.931 -8.249 1.00 0.00 H new ATOM 404 N TRP A 32 1.455 2.707 -4.857 1.00 0.00 N ATOM 405 CA TRP A 32 2.409 1.634 -4.602 1.00 0.00 C ATOM 406 C TRP A 32 2.033 0.375 -5.375 1.00 0.00 C ATOM 407 O TRP A 32 0.855 0.116 -5.621 1.00 0.00 O ATOM 408 CB TRP A 32 2.475 1.327 -3.105 1.00 0.00 C ATOM 409 CG TRP A 32 1.125 1.182 -2.469 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.254 2.187 -2.157 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.495 -0.038 -2.065 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.880 1.664 -1.584 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.758 0.302 -1.517 1.00 0.00 C ATOM 414 CE3 TRP A 32 0.865 -1.385 -2.114 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.638 -0.657 -1.022 1.00 0.00 C ATOM 416 CZ3 TRP A 32 -0.010 -2.335 -1.623 1.00 0.00 C ATOM 417 CH2 TRP A 32 -1.250 -1.967 -1.083 1.00 0.00 C ATOM 0 H TRP A 32 0.608 2.662 -4.290 1.00 0.00 H new ATOM 0 HA TRP A 32 3.390 1.967 -4.941 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.040 0.407 -2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.022 2.124 -2.602 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.431 3.238 -2.335 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.683 2.203 -1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.818 -1.678 -2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.594 -0.376 -0.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.266 -3.379 -1.656 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.912 -2.733 -0.708 1.00 0.00 H new ATOM 428 N GLU A 33 3.040 -0.404 -5.757 1.00 0.00 N ATOM 429 CA GLU A 33 2.813 -1.635 -6.503 1.00 0.00 C ATOM 430 C GLU A 33 2.792 -2.842 -5.569 1.00 0.00 C ATOM 431 O GLU A 33 3.770 -3.121 -4.875 1.00 0.00 O ATOM 432 CB GLU A 33 3.896 -1.820 -7.568 1.00 0.00 C ATOM 433 CG GLU A 33 3.703 -3.061 -8.424 1.00 0.00 C ATOM 434 CD GLU A 33 2.806 -2.812 -9.620 1.00 0.00 C ATOM 435 OE1 GLU A 33 1.726 -2.212 -9.436 1.00 0.00 O ATOM 436 OE2 GLU A 33 3.183 -3.216 -10.740 1.00 0.00 O ATOM 0 H GLU A 33 4.021 -0.204 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 33 1.842 -1.559 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.912 -0.942 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.869 -1.874 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.675 -3.413 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.275 -3.856 -7.813 1.00 0.00 H new ATOM 443 N CYS A 34 1.670 -3.554 -5.557 1.00 0.00 N ATOM 444 CA CYS A 34 1.519 -4.729 -4.709 1.00 0.00 C ATOM 445 C CYS A 34 2.522 -5.812 -5.096 1.00 0.00 C ATOM 446 O CYS A 34 3.214 -5.698 -6.107 1.00 0.00 O ATOM 447 CB CYS A 34 0.094 -5.278 -4.811 1.00 0.00 C ATOM 448 SG CYS A 34 -0.425 -6.270 -3.374 1.00 0.00 S ATOM 0 H CYS A 34 0.852 -3.337 -6.126 1.00 0.00 H new ATOM 0 HA CYS A 34 1.713 -4.430 -3.679 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.597 -4.444 -4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.015 -5.890 -5.709 1.00 0.00 H new ATOM 453 N SER A 35 2.593 -6.862 -4.284 1.00 0.00 N ATOM 454 CA SER A 35 3.513 -7.965 -4.540 1.00 0.00 C ATOM 455 C SER A 35 2.751 -9.265 -4.774 1.00 0.00 C ATOM 456 O SER A 35 3.135 -10.080 -5.613 1.00 0.00 O ATOM 457 CB SER A 35 4.481 -8.131 -3.366 1.00 0.00 C ATOM 458 OG SER A 35 5.312 -6.992 -3.225 1.00 0.00 O ATOM 0 H SER A 35 2.025 -6.972 -3.444 1.00 0.00 H new ATOM 0 HA SER A 35 4.081 -7.731 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.918 -8.290 -2.446 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.097 -9.017 -3.521 1.00 0.00 H new ATOM 0 HG SER A 35 5.920 -7.122 -2.467 1.00 0.00 H new ATOM 464 N VAL A 36 1.669 -9.453 -4.025 1.00 0.00 N ATOM 465 CA VAL A 36 0.851 -10.653 -4.151 1.00 0.00 C ATOM 466 C VAL A 36 0.031 -10.628 -5.436 1.00 0.00 C ATOM 467 O VAL A 36 -0.113 -11.645 -6.114 1.00 0.00 O ATOM 468 CB VAL A 36 -0.101 -10.812 -2.951 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.684 -11.119 -1.684 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.947 -9.561 -2.773 1.00 0.00 C ATOM 0 H VAL A 36 1.339 -8.789 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 36 1.536 -11.501 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.770 -11.650 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.005 -11.228 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.242 -12.046 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.378 -10.304 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.614 -9.691 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.297 -8.704 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.538 -9.390 -3.673 1.00 0.00 H new ATOM 480 N CYS A 37 -0.505 -9.457 -5.766 1.00 0.00 N ATOM 481 CA CYS A 37 -1.311 -9.297 -6.970 1.00 0.00 C ATOM 482 C CYS A 37 -0.661 -8.306 -7.932 1.00 0.00 C ATOM 483 O CYS A 37 -0.982 -8.279 -9.121 1.00 0.00 O ATOM 484 CB CYS A 37 -2.719 -8.823 -6.606 1.00 0.00 C ATOM 485 SG CYS A 37 -2.813 -7.067 -6.130 1.00 0.00 S ATOM 0 H CYS A 37 -0.395 -8.605 -5.216 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.377 -10.266 -7.465 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.379 -8.994 -7.456 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.094 -9.432 -5.784 1.00 0.00 H new ATOM 490 N CYS A 38 0.252 -7.495 -7.409 1.00 0.00 N ATOM 491 CA CYS A 38 0.946 -6.502 -8.221 1.00 0.00 C ATOM 492 C CYS A 38 -0.045 -5.543 -8.873 1.00 0.00 C ATOM 493 O CYS A 38 0.066 -5.231 -10.058 1.00 0.00 O ATOM 494 CB CYS A 38 1.790 -7.191 -9.295 1.00 0.00 C ATOM 495 SG CYS A 38 3.183 -8.141 -8.642 1.00 0.00 S ATOM 0 H CYS A 38 0.529 -7.506 -6.427 1.00 0.00 H new ATOM 0 HA CYS A 38 1.602 -5.928 -7.567 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.150 -7.857 -9.874 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.170 -6.436 -9.983 1.00 0.00 H new ATOM 0 HG CYS A 38 2.818 -8.755 -7.556 1.00 0.00 H new ATOM 501 N VAL A 39 -1.015 -5.081 -8.090 1.00 0.00 N ATOM 502 CA VAL A 39 -2.026 -4.158 -8.591 1.00 0.00 C ATOM 503 C VAL A 39 -1.855 -2.771 -7.982 1.00 0.00 C ATOM 504 O VAL A 39 -1.397 -2.632 -6.848 1.00 0.00 O ATOM 505 CB VAL A 39 -3.448 -4.666 -8.290 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.485 -3.639 -8.719 1.00 0.00 C ATOM 507 CG2 VAL A 39 -3.693 -6.001 -8.978 1.00 0.00 C ATOM 0 H VAL A 39 -1.122 -5.331 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.890 -4.097 -9.671 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.542 -4.814 -7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.484 -4.016 -8.498 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.321 -2.708 -8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.395 -3.456 -9.790 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.703 -6.346 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.581 -5.881 -10.056 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.971 -6.734 -8.617 1.00 0.00 H new ATOM 517 N SER A 40 -2.226 -1.746 -8.743 1.00 0.00 N ATOM 518 CA SER A 40 -2.110 -0.368 -8.279 1.00 0.00 C ATOM 519 C SER A 40 -3.132 -0.076 -7.184 1.00 0.00 C ATOM 520 O SER A 40 -4.203 -0.679 -7.143 1.00 0.00 O ATOM 521 CB SER A 40 -2.303 0.603 -9.445 1.00 0.00 C ATOM 522 OG SER A 40 -3.609 0.497 -9.986 1.00 0.00 O ATOM 0 H SER A 40 -2.609 -1.844 -9.683 1.00 0.00 H new ATOM 0 HA SER A 40 -1.111 -0.233 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.129 1.624 -9.105 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.566 0.395 -10.221 1.00 0.00 H new ATOM 0 HG SER A 40 -3.708 1.129 -10.729 1.00 0.00 H new ATOM 528 N ASN A 41 -2.791 0.855 -6.299 1.00 0.00 N ATOM 529 CA ASN A 41 -3.678 1.228 -5.202 1.00 0.00 C ATOM 530 C ASN A 41 -3.386 2.647 -4.726 1.00 0.00 C ATOM 531 O ASN A 41 -2.335 3.210 -5.028 1.00 0.00 O ATOM 532 CB ASN A 41 -3.526 0.246 -4.039 1.00 0.00 C ATOM 533 CG ASN A 41 -3.596 -1.201 -4.490 1.00 0.00 C ATOM 534 OD1 ASN A 41 -4.639 -1.670 -4.946 1.00 0.00 O ATOM 535 ND2 ASN A 41 -2.484 -1.914 -4.364 1.00 0.00 N ATOM 0 H ASN A 41 -1.908 1.365 -6.320 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.704 1.190 -5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.573 0.422 -3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.309 0.433 -3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.471 -2.893 -4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.643 -1.483 -3.981 1.00 0.00 H new ATOM 542 N ASN A 42 -4.325 3.219 -3.979 1.00 0.00 N ATOM 543 CA ASN A 42 -4.169 4.573 -3.460 1.00 0.00 C ATOM 544 C ASN A 42 -3.071 4.627 -2.401 1.00 0.00 C ATOM 545 O ASN A 42 -3.035 3.804 -1.487 1.00 0.00 O ATOM 546 CB ASN A 42 -5.489 5.070 -2.867 1.00 0.00 C ATOM 547 CG ASN A 42 -6.656 4.880 -3.816 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.790 5.600 -4.806 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.509 3.907 -3.517 1.00 0.00 N ATOM 0 H ASN A 42 -5.201 2.766 -3.720 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.883 5.222 -4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.690 4.538 -1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.397 6.127 -2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.314 3.732 -4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.359 3.335 -2.686 1.00 0.00 H new ATOM 556 N ALA A 43 -2.178 5.602 -2.533 1.00 0.00 N ATOM 557 CA ALA A 43 -1.081 5.765 -1.587 1.00 0.00 C ATOM 558 C ALA A 43 -1.590 5.764 -0.149 1.00 0.00 C ATOM 559 O ALA A 43 -1.120 4.990 0.684 1.00 0.00 O ATOM 560 CB ALA A 43 -0.320 7.051 -1.877 1.00 0.00 C ATOM 0 H ALA A 43 -2.193 6.291 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.404 4.919 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.496 7.160 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.085 7.014 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.996 7.902 -1.788 1.00 0.00 H new ATOM 566 N GLU A 44 -2.553 6.636 0.133 1.00 0.00 N ATOM 567 CA GLU A 44 -3.124 6.735 1.471 1.00 0.00 C ATOM 568 C GLU A 44 -3.526 5.359 1.994 1.00 0.00 C ATOM 569 O GLU A 44 -3.248 5.014 3.143 1.00 0.00 O ATOM 570 CB GLU A 44 -4.340 7.664 1.464 1.00 0.00 C ATOM 571 CG GLU A 44 -5.425 7.239 0.489 1.00 0.00 C ATOM 572 CD GLU A 44 -6.473 8.315 0.278 1.00 0.00 C ATOM 573 OE1 GLU A 44 -6.091 9.494 0.124 1.00 0.00 O ATOM 574 OE2 GLU A 44 -7.675 7.976 0.265 1.00 0.00 O ATOM 0 H GLU A 44 -2.954 7.283 -0.546 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.363 7.149 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.761 7.705 2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.014 8.674 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.970 6.988 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.908 6.335 0.860 1.00 0.00 H new ATOM 581 N ASP A 45 -4.183 4.578 1.144 1.00 0.00 N ATOM 582 CA ASP A 45 -4.623 3.239 1.518 1.00 0.00 C ATOM 583 C ASP A 45 -3.450 2.399 2.013 1.00 0.00 C ATOM 584 O ASP A 45 -2.532 2.090 1.254 1.00 0.00 O ATOM 585 CB ASP A 45 -5.296 2.549 0.330 1.00 0.00 C ATOM 586 CG ASP A 45 -6.774 2.869 0.236 1.00 0.00 C ATOM 587 OD1 ASP A 45 -7.183 3.937 0.736 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.524 2.049 -0.337 1.00 0.00 O ATOM 0 H ASP A 45 -4.423 4.849 0.190 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.345 3.335 2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.802 2.855 -0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.166 1.470 0.419 1.00 0.00 H new ATOM 593 N ASN A 46 -3.486 2.035 3.291 1.00 0.00 N ATOM 594 CA ASN A 46 -2.425 1.232 3.887 1.00 0.00 C ATOM 595 C ASN A 46 -2.620 -0.248 3.574 1.00 0.00 C ATOM 596 O ASN A 46 -2.019 -1.114 4.210 1.00 0.00 O ATOM 597 CB ASN A 46 -2.387 1.444 5.402 1.00 0.00 C ATOM 598 CG ASN A 46 -3.738 1.213 6.052 1.00 0.00 C ATOM 599 OD1 ASN A 46 -4.309 0.127 5.954 1.00 0.00 O ATOM 600 ND2 ASN A 46 -4.256 2.238 6.719 1.00 0.00 N ATOM 0 H ASN A 46 -4.238 2.283 3.933 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.476 1.553 3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.654 0.768 5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.053 2.459 5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.163 2.143 7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.747 3.120 6.774 1.00 0.00 H new ATOM 607 N LYS A 47 -3.465 -0.532 2.588 1.00 0.00 N ATOM 608 CA LYS A 47 -3.739 -1.906 2.187 1.00 0.00 C ATOM 609 C LYS A 47 -4.264 -1.961 0.756 1.00 0.00 C ATOM 610 O LYS A 47 -4.787 -0.974 0.237 1.00 0.00 O ATOM 611 CB LYS A 47 -4.755 -2.544 3.138 1.00 0.00 C ATOM 612 CG LYS A 47 -4.126 -3.155 4.379 1.00 0.00 C ATOM 613 CD LYS A 47 -4.932 -4.338 4.888 1.00 0.00 C ATOM 614 CE LYS A 47 -4.249 -5.012 6.067 1.00 0.00 C ATOM 615 NZ LYS A 47 -4.469 -4.266 7.337 1.00 0.00 N ATOM 0 H LYS A 47 -3.972 0.172 2.052 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.804 -2.465 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.479 -1.789 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.306 -3.317 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.110 -3.477 4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.054 -2.399 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.925 -4.002 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.068 -5.060 4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.627 -6.029 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.179 -5.089 5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.987 -4.758 8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.085 -3.304 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.488 -4.215 7.537 1.00 0.00 H new ATOM 629 N CYS A 48 -4.123 -3.121 0.123 1.00 0.00 N ATOM 630 CA CYS A 48 -4.583 -3.306 -1.248 1.00 0.00 C ATOM 631 C CYS A 48 -6.107 -3.305 -1.315 1.00 0.00 C ATOM 632 O CYS A 48 -6.785 -3.355 -0.288 1.00 0.00 O ATOM 633 CB CYS A 48 -4.037 -4.616 -1.820 1.00 0.00 C ATOM 634 SG CYS A 48 -3.901 -4.635 -3.636 1.00 0.00 S ATOM 0 H CYS A 48 -3.693 -3.948 0.538 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.210 -2.474 -1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.053 -4.805 -1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.685 -5.435 -1.506 1.00 0.00 H new ATOM 639 N VAL A 49 -6.641 -3.248 -2.531 1.00 0.00 N ATOM 640 CA VAL A 49 -8.085 -3.243 -2.733 1.00 0.00 C ATOM 641 C VAL A 49 -8.533 -4.463 -3.529 1.00 0.00 C ATOM 642 O VAL A 49 -9.637 -4.972 -3.336 1.00 0.00 O ATOM 643 CB VAL A 49 -8.545 -1.968 -3.465 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.167 -0.729 -2.668 1.00 0.00 C ATOM 645 CG2 VAL A 49 -7.950 -1.914 -4.864 1.00 0.00 C ATOM 0 H VAL A 49 -6.095 -3.205 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.543 -3.270 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.631 -1.994 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.500 0.162 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.645 -0.766 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.085 -0.693 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.285 -1.007 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.862 -1.911 -4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.276 -2.785 -5.432 1.00 0.00 H new ATOM 655 N SER A 50 -7.669 -4.928 -4.426 1.00 0.00 N ATOM 656 CA SER A 50 -7.977 -6.087 -5.255 1.00 0.00 C ATOM 657 C SER A 50 -7.776 -7.382 -4.475 1.00 0.00 C ATOM 658 O SER A 50 -8.590 -8.302 -4.555 1.00 0.00 O ATOM 659 CB SER A 50 -7.099 -6.092 -6.508 1.00 0.00 C ATOM 660 OG SER A 50 -7.442 -7.166 -7.367 1.00 0.00 O ATOM 0 H SER A 50 -6.750 -4.520 -4.597 1.00 0.00 H new ATOM 0 HA SER A 50 -9.023 -6.021 -5.553 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.212 -5.147 -7.039 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.051 -6.172 -6.221 1.00 0.00 H new ATOM 0 HG SER A 50 -6.868 -7.146 -8.161 1.00 0.00 H new ATOM 666 N CYS A 51 -6.685 -7.446 -3.718 1.00 0.00 N ATOM 667 CA CYS A 51 -6.375 -8.628 -2.922 1.00 0.00 C ATOM 668 C CYS A 51 -6.506 -8.329 -1.431 1.00 0.00 C ATOM 669 O CYS A 51 -6.648 -9.239 -0.616 1.00 0.00 O ATOM 670 CB CYS A 51 -4.960 -9.120 -3.233 1.00 0.00 C ATOM 671 SG CYS A 51 -3.640 -8.093 -2.509 1.00 0.00 S ATOM 0 H CYS A 51 -6.001 -6.693 -3.639 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.089 -9.409 -3.182 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.853 -10.141 -2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.828 -9.153 -4.314 1.00 0.00 H new ATOM 676 N MET A 52 -6.456 -7.047 -1.084 1.00 0.00 N ATOM 677 CA MET A 52 -6.571 -6.628 0.308 1.00 0.00 C ATOM 678 C MET A 52 -5.441 -7.216 1.148 1.00 0.00 C ATOM 679 O MET A 52 -5.677 -7.769 2.222 1.00 0.00 O ATOM 680 CB MET A 52 -7.924 -7.054 0.882 1.00 0.00 C ATOM 681 CG MET A 52 -9.099 -6.280 0.306 1.00 0.00 C ATOM 682 SD MET A 52 -10.685 -6.843 0.953 1.00 0.00 S ATOM 683 CE MET A 52 -10.970 -5.635 2.245 1.00 0.00 C ATOM 0 H MET A 52 -6.337 -6.281 -1.747 1.00 0.00 H new ATOM 0 HA MET A 52 -6.497 -5.541 0.341 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.072 -8.117 0.692 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.908 -6.923 1.964 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.975 -5.220 0.529 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.098 -6.380 -0.779 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.917 -5.849 2.741 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.160 -5.683 2.973 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.007 -4.637 1.808 1.00 0.00 H new ATOM 693 N SER A 53 -4.215 -7.094 0.650 1.00 0.00 N ATOM 694 CA SER A 53 -3.049 -7.618 1.353 1.00 0.00 C ATOM 695 C SER A 53 -2.269 -6.493 2.025 1.00 0.00 C ATOM 696 O SER A 53 -2.258 -5.359 1.545 1.00 0.00 O ATOM 697 CB SER A 53 -2.141 -8.376 0.383 1.00 0.00 C ATOM 698 OG SER A 53 -1.207 -9.180 1.083 1.00 0.00 O ATOM 0 H SER A 53 -4.003 -6.637 -0.237 1.00 0.00 H new ATOM 0 HA SER A 53 -3.398 -8.305 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.746 -9.002 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.611 -7.667 -0.253 1.00 0.00 H new ATOM 0 HG SER A 53 -0.541 -9.529 0.455 1.00 0.00 H new ATOM 704 N GLU A 54 -1.618 -6.815 3.138 1.00 0.00 N ATOM 705 CA GLU A 54 -0.835 -5.831 3.877 1.00 0.00 C ATOM 706 C GLU A 54 0.187 -5.154 2.967 1.00 0.00 C ATOM 707 O GLU A 54 0.956 -5.821 2.275 1.00 0.00 O ATOM 708 CB GLU A 54 -0.123 -6.494 5.057 1.00 0.00 C ATOM 709 CG GLU A 54 -1.061 -7.233 5.997 1.00 0.00 C ATOM 710 CD GLU A 54 -0.440 -7.494 7.355 1.00 0.00 C ATOM 711 OE1 GLU A 54 -0.551 -6.617 8.238 1.00 0.00 O ATOM 712 OE2 GLU A 54 0.157 -8.576 7.536 1.00 0.00 O ATOM 0 H GLU A 54 -1.617 -7.749 3.548 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.519 -5.071 4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.621 -7.194 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.416 -5.732 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.974 -6.651 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.349 -8.182 5.545 1.00 0.00 H new ATOM 719 N LYS A 55 0.188 -3.826 2.974 1.00 0.00 N ATOM 720 CA LYS A 55 1.114 -3.057 2.151 1.00 0.00 C ATOM 721 C LYS A 55 2.546 -3.212 2.653 1.00 0.00 C ATOM 722 O LYS A 55 2.822 -3.131 3.851 1.00 0.00 O ATOM 723 CB LYS A 55 0.720 -1.578 2.151 1.00 0.00 C ATOM 724 CG LYS A 55 1.695 -0.689 1.397 1.00 0.00 C ATOM 725 CD LYS A 55 1.291 0.773 1.474 1.00 0.00 C ATOM 726 CE LYS A 55 2.462 1.692 1.162 1.00 0.00 C ATOM 727 NZ LYS A 55 3.542 1.580 2.181 1.00 0.00 N ATOM 0 H LYS A 55 -0.443 -3.259 3.541 1.00 0.00 H new ATOM 0 HA LYS A 55 1.061 -3.441 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.270 -1.474 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.646 -1.230 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.696 -0.813 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.740 -1.000 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.480 0.965 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.909 0.994 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.864 1.447 0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.112 2.723 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.166 2.410 2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.120 1.535 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.095 0.717 2.007 1.00 0.00 H new ATOM 741 N PRO A 56 3.480 -3.441 1.719 1.00 0.00 N ATOM 742 CA PRO A 56 4.900 -3.611 2.043 1.00 0.00 C ATOM 743 C PRO A 56 5.546 -2.312 2.512 1.00 0.00 C ATOM 744 O PRO A 56 4.881 -1.284 2.632 1.00 0.00 O ATOM 745 CB PRO A 56 5.514 -4.066 0.717 1.00 0.00 C ATOM 746 CG PRO A 56 4.601 -3.528 -0.329 1.00 0.00 C ATOM 747 CD PRO A 56 3.223 -3.551 0.273 1.00 0.00 C ATOM 0 HA PRO A 56 5.051 -4.315 2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.526 -3.679 0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.580 -5.153 0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.886 -2.515 -0.612 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.642 -4.136 -1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.612 -2.725 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.693 -4.471 0.028 1.00 0.00 H new ATOM 755 N GLY A 57 6.849 -2.366 2.776 1.00 0.00 N ATOM 756 CA GLY A 57 7.563 -1.187 3.228 1.00 0.00 C ATOM 757 C GLY A 57 9.056 -1.423 3.346 1.00 0.00 C ATOM 758 O GLY A 57 9.638 -2.036 2.451 1.00 0.00 O ATOM 0 H GLY A 57 7.422 -3.205 2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.382 -0.367 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.170 -0.877 4.196 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.685 -6.631 -3.927 1.00 0.00 ZN