USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -170:sc= 0 (180deg=-0.0912) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 HIS : no HD1:sc= -0.755 X(o=-0.76,f=-0.53) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 70:sc= 1.17 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -109:sc= 0 (180deg=-1.7!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 56 GLN : amide:sc= -0.0626 K(o=-0.063,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.928 15.738 18.433 1.00 0.00 N ATOM 2 CA GLY A 1 -9.538 16.132 18.295 1.00 0.00 C ATOM 3 C GLY A 1 -8.593 14.947 18.343 1.00 0.00 C ATOM 4 O GLY A 1 -7.587 14.918 17.633 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.542 16.552 18.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.138 14.967 17.767 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.102 15.412 19.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.405 16.661 17.351 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.281 16.831 19.091 1.00 0.00 H new ATOM 8 N SER A 2 -8.914 13.969 19.183 1.00 0.00 N ATOM 9 CA SER A 2 -8.083 12.779 19.325 1.00 0.00 C ATOM 10 C SER A 2 -8.498 11.705 18.325 1.00 0.00 C ATOM 11 O SER A 2 -9.383 10.894 18.599 1.00 0.00 O ATOM 12 CB SER A 2 -8.181 12.231 20.750 1.00 0.00 C ATOM 13 OG SER A 2 -7.138 11.309 21.014 1.00 0.00 O ATOM 0 H SER A 2 -9.744 13.977 19.776 1.00 0.00 H new ATOM 0 HA SER A 2 -7.050 13.060 19.122 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.133 13.054 21.464 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.146 11.744 20.890 1.00 0.00 H new ATOM 0 HG SER A 2 -7.222 10.974 21.931 1.00 0.00 H new ATOM 19 N SER A 3 -7.851 11.705 17.164 1.00 0.00 N ATOM 20 CA SER A 3 -8.153 10.733 16.120 1.00 0.00 C ATOM 21 C SER A 3 -7.711 9.333 16.536 1.00 0.00 C ATOM 22 O SER A 3 -6.553 9.115 16.888 1.00 0.00 O ATOM 23 CB SER A 3 -7.467 11.129 14.811 1.00 0.00 C ATOM 24 OG SER A 3 -8.364 11.810 13.950 1.00 0.00 O ATOM 0 H SER A 3 -7.114 12.368 16.923 1.00 0.00 H new ATOM 0 HA SER A 3 -9.232 10.724 15.968 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.609 11.766 15.025 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.086 10.238 14.313 1.00 0.00 H new ATOM 0 HG SER A 3 -7.901 12.054 13.121 1.00 0.00 H new ATOM 30 N GLY A 4 -8.645 8.388 16.493 1.00 0.00 N ATOM 31 CA GLY A 4 -8.334 7.021 16.867 1.00 0.00 C ATOM 32 C GLY A 4 -9.211 6.010 16.156 1.00 0.00 C ATOM 33 O GLY A 4 -10.334 5.743 16.583 1.00 0.00 O ATOM 0 H GLY A 4 -9.611 8.545 16.206 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.288 6.814 16.638 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.453 6.907 17.944 1.00 0.00 H new ATOM 37 N SER A 5 -8.699 5.448 15.065 1.00 0.00 N ATOM 38 CA SER A 5 -9.446 4.465 14.289 1.00 0.00 C ATOM 39 C SER A 5 -8.568 3.266 13.943 1.00 0.00 C ATOM 40 O SER A 5 -7.345 3.320 14.069 1.00 0.00 O ATOM 41 CB SER A 5 -9.988 5.101 13.008 1.00 0.00 C ATOM 42 OG SER A 5 -8.934 5.574 12.188 1.00 0.00 O ATOM 0 H SER A 5 -7.770 5.657 14.699 1.00 0.00 H new ATOM 0 HA SER A 5 -10.282 4.118 14.896 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.581 4.370 12.458 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.654 5.926 13.261 1.00 0.00 H new ATOM 0 HG SER A 5 -9.307 5.974 11.375 1.00 0.00 H new ATOM 48 N SER A 6 -9.203 2.183 13.505 1.00 0.00 N ATOM 49 CA SER A 6 -8.482 0.968 13.143 1.00 0.00 C ATOM 50 C SER A 6 -8.977 0.419 11.809 1.00 0.00 C ATOM 51 O SER A 6 -10.127 0.632 11.426 1.00 0.00 O ATOM 52 CB SER A 6 -8.645 -0.091 14.236 1.00 0.00 C ATOM 53 OG SER A 6 -9.624 -1.049 13.875 1.00 0.00 O ATOM 0 H SER A 6 -10.215 2.122 13.392 1.00 0.00 H new ATOM 0 HA SER A 6 -7.426 1.218 13.043 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.691 -0.589 14.410 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.929 0.389 15.172 1.00 0.00 H new ATOM 0 HG SER A 6 -9.708 -1.715 14.589 1.00 0.00 H new ATOM 59 N GLY A 7 -8.100 -0.289 11.105 1.00 0.00 N ATOM 60 CA GLY A 7 -8.465 -0.858 9.821 1.00 0.00 C ATOM 61 C GLY A 7 -7.296 -0.912 8.857 1.00 0.00 C ATOM 62 O GLY A 7 -6.142 -0.766 9.261 1.00 0.00 O ATOM 0 H GLY A 7 -7.143 -0.479 11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.855 -1.865 9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.268 -0.267 9.380 1.00 0.00 H new ATOM 66 N HIS A 8 -7.594 -1.122 7.579 1.00 0.00 N ATOM 67 CA HIS A 8 -6.559 -1.196 6.554 1.00 0.00 C ATOM 68 C HIS A 8 -6.542 0.072 5.706 1.00 0.00 C ATOM 69 O HIS A 8 -6.393 0.012 4.486 1.00 0.00 O ATOM 70 CB HIS A 8 -6.781 -2.417 5.662 1.00 0.00 C ATOM 71 CG HIS A 8 -6.294 -3.698 6.267 1.00 0.00 C ATOM 72 ND1 HIS A 8 -6.508 -4.036 7.586 1.00 0.00 N ATOM 73 CD2 HIS A 8 -5.601 -4.726 5.724 1.00 0.00 C ATOM 74 CE1 HIS A 8 -5.966 -5.216 7.829 1.00 0.00 C ATOM 75 NE2 HIS A 8 -5.410 -5.657 6.715 1.00 0.00 N ATOM 0 H HIS A 8 -8.544 -1.244 7.228 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.595 -1.291 7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.845 -2.509 5.445 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.274 -2.258 4.710 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.261 -4.800 4.701 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.976 -5.732 8.777 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.919 -6.545 6.608 1.00 0.00 H new ATOM 83 N GLU A 9 -6.697 1.219 6.362 1.00 0.00 N ATOM 84 CA GLU A 9 -6.701 2.500 5.667 1.00 0.00 C ATOM 85 C GLU A 9 -7.703 2.492 4.516 1.00 0.00 C ATOM 86 O GLU A 9 -8.506 1.568 4.384 1.00 0.00 O ATOM 87 CB GLU A 9 -5.302 2.823 5.137 1.00 0.00 C ATOM 88 CG GLU A 9 -4.195 2.569 6.146 1.00 0.00 C ATOM 89 CD GLU A 9 -3.107 3.623 6.096 1.00 0.00 C ATOM 90 OE1 GLU A 9 -3.321 4.724 6.644 1.00 0.00 O ATOM 91 OE2 GLU A 9 -2.040 3.345 5.508 1.00 0.00 O ATOM 0 H GLU A 9 -6.821 1.286 7.372 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.998 3.269 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.114 2.225 4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.271 3.869 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.622 2.540 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.755 1.589 5.959 1.00 0.00 H new ATOM 98 N ASP A 10 -7.651 3.528 3.687 1.00 0.00 N ATOM 99 CA ASP A 10 -8.554 3.642 2.547 1.00 0.00 C ATOM 100 C ASP A 10 -8.026 4.653 1.534 1.00 0.00 C ATOM 101 O ASP A 10 -8.796 5.268 0.796 1.00 0.00 O ATOM 102 CB ASP A 10 -9.951 4.051 3.014 1.00 0.00 C ATOM 103 CG ASP A 10 -11.050 3.362 2.229 1.00 0.00 C ATOM 104 OD1 ASP A 10 -11.345 3.811 1.102 1.00 0.00 O ATOM 105 OD2 ASP A 10 -11.615 2.373 2.742 1.00 0.00 O ATOM 0 H ASP A 10 -6.993 4.302 3.783 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.613 2.667 2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.061 3.813 4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.062 5.131 2.917 1.00 0.00 H new ATOM 110 N PHE A 11 -6.708 4.820 1.504 1.00 0.00 N ATOM 111 CA PHE A 11 -6.076 5.758 0.583 1.00 0.00 C ATOM 112 C PHE A 11 -4.718 5.238 0.123 1.00 0.00 C ATOM 113 O PHE A 11 -3.960 4.667 0.909 1.00 0.00 O ATOM 114 CB PHE A 11 -5.912 7.126 1.249 1.00 0.00 C ATOM 115 CG PHE A 11 -7.146 7.595 1.967 1.00 0.00 C ATOM 116 CD1 PHE A 11 -8.208 8.139 1.263 1.00 0.00 C ATOM 117 CD2 PHE A 11 -7.242 7.493 3.345 1.00 0.00 C ATOM 118 CE1 PHE A 11 -9.345 8.571 1.921 1.00 0.00 C ATOM 119 CE2 PHE A 11 -8.376 7.923 4.008 1.00 0.00 C ATOM 120 CZ PHE A 11 -9.428 8.464 3.295 1.00 0.00 C ATOM 0 H PHE A 11 -6.056 4.318 2.107 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.720 5.861 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.085 7.080 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.641 7.860 0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.147 8.227 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.422 7.073 3.908 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.167 8.992 1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.439 7.836 5.083 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.314 8.803 3.811 1.00 0.00 H new ATOM 130 N CYS A 12 -4.416 5.438 -1.155 1.00 0.00 N ATOM 131 CA CYS A 12 -3.150 4.989 -1.722 1.00 0.00 C ATOM 132 C CYS A 12 -1.973 5.490 -0.890 1.00 0.00 C ATOM 133 O CYS A 12 -1.954 6.640 -0.451 1.00 0.00 O ATOM 134 CB CYS A 12 -3.012 5.478 -3.166 1.00 0.00 C ATOM 135 SG CYS A 12 -1.547 4.830 -4.033 1.00 0.00 S ATOM 0 H CYS A 12 -5.031 5.909 -1.819 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.142 3.899 -1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.905 5.193 -3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.970 6.567 -3.167 1.00 0.00 H new ATOM 140 N SER A 13 -0.993 4.618 -0.677 1.00 0.00 N ATOM 141 CA SER A 13 0.186 4.969 0.105 1.00 0.00 C ATOM 142 C SER A 13 1.322 5.431 -0.802 1.00 0.00 C ATOM 143 O SER A 13 2.489 5.124 -0.560 1.00 0.00 O ATOM 144 CB SER A 13 0.642 3.774 0.944 1.00 0.00 C ATOM 145 OG SER A 13 -0.124 3.661 2.131 1.00 0.00 O ATOM 0 H SER A 13 -0.992 3.663 -1.035 1.00 0.00 H new ATOM 0 HA SER A 13 -0.081 5.790 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.549 2.859 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.696 3.885 1.197 1.00 0.00 H new ATOM 0 HG SER A 13 0.186 2.889 2.648 1.00 0.00 H new ATOM 151 N VAL A 14 0.971 6.173 -1.848 1.00 0.00 N ATOM 152 CA VAL A 14 1.960 6.679 -2.792 1.00 0.00 C ATOM 153 C VAL A 14 1.512 8.004 -3.400 1.00 0.00 C ATOM 154 O VAL A 14 2.291 8.953 -3.490 1.00 0.00 O ATOM 155 CB VAL A 14 2.223 5.670 -3.925 1.00 0.00 C ATOM 156 CG1 VAL A 14 3.233 6.229 -4.915 1.00 0.00 C ATOM 157 CG2 VAL A 14 2.700 4.343 -3.356 1.00 0.00 C ATOM 0 H VAL A 14 0.009 6.437 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 14 2.882 6.833 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 14 1.288 5.496 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.406 5.502 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.847 7.152 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.172 6.434 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.881 3.642 -4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.624 4.497 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.938 3.937 -2.691 1.00 0.00 H new ATOM 167 N CYS A 15 0.251 8.061 -3.815 1.00 0.00 N ATOM 168 CA CYS A 15 -0.303 9.269 -4.414 1.00 0.00 C ATOM 169 C CYS A 15 -1.422 9.842 -3.550 1.00 0.00 C ATOM 170 O CYS A 15 -1.717 11.036 -3.609 1.00 0.00 O ATOM 171 CB CYS A 15 -0.831 8.971 -5.819 1.00 0.00 C ATOM 172 SG CYS A 15 -2.267 7.851 -5.851 1.00 0.00 S ATOM 0 H CYS A 15 -0.407 7.284 -3.747 1.00 0.00 H new ATOM 0 HA CYS A 15 0.495 10.009 -4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.105 9.910 -6.299 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.028 8.532 -6.412 1.00 0.00 H new ATOM 177 N ARG A 16 -2.041 8.982 -2.747 1.00 0.00 N ATOM 178 CA ARG A 16 -3.128 9.402 -1.871 1.00 0.00 C ATOM 179 C ARG A 16 -4.308 9.928 -2.682 1.00 0.00 C ATOM 180 O ARG A 16 -4.471 11.137 -2.849 1.00 0.00 O ATOM 181 CB ARG A 16 -2.642 10.479 -0.900 1.00 0.00 C ATOM 182 CG ARG A 16 -2.297 9.945 0.481 1.00 0.00 C ATOM 183 CD ARG A 16 -1.293 10.840 1.190 1.00 0.00 C ATOM 184 NE ARG A 16 -1.016 10.382 2.549 1.00 0.00 N ATOM 185 CZ ARG A 16 -0.279 9.312 2.827 1.00 0.00 C ATOM 186 NH1 ARG A 16 0.251 8.595 1.847 1.00 0.00 N ATOM 187 NH2 ARG A 16 -0.071 8.959 4.090 1.00 0.00 N ATOM 0 H ARG A 16 -1.808 7.991 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.459 8.533 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.763 10.966 -1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.414 11.243 -0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.205 9.869 1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.889 8.938 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.364 10.866 0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.676 11.860 1.222 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.410 10.912 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.094 8.864 0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.816 7.774 2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.477 9.509 4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.495 8.138 4.303 1.00 0.00 H new ATOM 201 N LYS A 17 -5.129 9.012 -3.184 1.00 0.00 N ATOM 202 CA LYS A 17 -6.295 9.382 -3.978 1.00 0.00 C ATOM 203 C LYS A 17 -7.477 8.468 -3.668 1.00 0.00 C ATOM 204 O LYS A 17 -7.296 7.307 -3.298 1.00 0.00 O ATOM 205 CB LYS A 17 -5.964 9.316 -5.470 1.00 0.00 C ATOM 206 CG LYS A 17 -5.664 10.671 -6.087 1.00 0.00 C ATOM 207 CD LYS A 17 -5.619 10.595 -7.604 1.00 0.00 C ATOM 208 CE LYS A 17 -5.838 11.961 -8.237 1.00 0.00 C ATOM 209 NZ LYS A 17 -6.140 11.857 -9.691 1.00 0.00 N ATOM 0 H LYS A 17 -5.009 8.007 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.570 10.404 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.104 8.662 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.802 8.862 -6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.425 11.388 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.709 11.039 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.655 10.196 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.383 9.902 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.659 12.468 -7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.948 12.574 -8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.283 12.809 -10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.345 11.396 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.003 11.293 -9.827 1.00 0.00 H new ATOM 223 N SER A 18 -8.686 8.998 -3.821 1.00 0.00 N ATOM 224 CA SER A 18 -9.897 8.230 -3.555 1.00 0.00 C ATOM 225 C SER A 18 -10.181 7.254 -4.692 1.00 0.00 C ATOM 226 O SER A 18 -9.924 7.549 -5.858 1.00 0.00 O ATOM 227 CB SER A 18 -11.089 9.169 -3.363 1.00 0.00 C ATOM 228 OG SER A 18 -11.204 10.076 -4.446 1.00 0.00 O ATOM 0 H SER A 18 -8.853 9.956 -4.128 1.00 0.00 H new ATOM 0 HA SER A 18 -9.743 7.659 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.005 8.585 -3.275 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.973 9.723 -2.431 1.00 0.00 H new ATOM 0 HG SER A 18 -11.974 10.664 -4.300 1.00 0.00 H new ATOM 234 N GLY A 19 -10.715 6.087 -4.342 1.00 0.00 N ATOM 235 CA GLY A 19 -11.026 5.084 -5.343 1.00 0.00 C ATOM 236 C GLY A 19 -10.722 3.677 -4.868 1.00 0.00 C ATOM 237 O GLY A 19 -10.445 3.460 -3.689 1.00 0.00 O ATOM 0 H GLY A 19 -10.937 5.819 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.081 5.155 -5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.455 5.290 -6.249 1.00 0.00 H new ATOM 241 N GLN A 20 -10.775 2.719 -5.788 1.00 0.00 N ATOM 242 CA GLN A 20 -10.504 1.325 -5.455 1.00 0.00 C ATOM 243 C GLN A 20 -9.025 1.115 -5.152 1.00 0.00 C ATOM 244 O GLN A 20 -8.157 1.563 -5.903 1.00 0.00 O ATOM 245 CB GLN A 20 -10.937 0.412 -6.604 1.00 0.00 C ATOM 246 CG GLN A 20 -10.709 -1.065 -6.325 1.00 0.00 C ATOM 247 CD GLN A 20 -11.745 -1.951 -6.987 1.00 0.00 C ATOM 248 OE1 GLN A 20 -11.454 -2.645 -7.962 1.00 0.00 O ATOM 249 NE2 GLN A 20 -12.964 -1.932 -6.461 1.00 0.00 N ATOM 0 H GLN A 20 -11.003 2.882 -6.769 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.077 1.072 -4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.995 0.576 -6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.391 0.692 -7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.717 -1.348 -6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.726 -1.234 -5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.162 -1.342 -5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.703 -2.507 -6.865 1.00 0.00 H new ATOM 258 N LEU A 21 -8.743 0.431 -4.049 1.00 0.00 N ATOM 259 CA LEU A 21 -7.367 0.161 -3.646 1.00 0.00 C ATOM 260 C LEU A 21 -7.170 -1.320 -3.339 1.00 0.00 C ATOM 261 O LEU A 21 -8.100 -2.005 -2.911 1.00 0.00 O ATOM 262 CB LEU A 21 -7.000 1.001 -2.421 1.00 0.00 C ATOM 263 CG LEU A 21 -6.229 2.292 -2.699 1.00 0.00 C ATOM 264 CD1 LEU A 21 -6.656 3.387 -1.734 1.00 0.00 C ATOM 265 CD2 LEU A 21 -4.730 2.048 -2.603 1.00 0.00 C ATOM 0 H LEU A 21 -9.449 0.053 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.712 0.431 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.918 1.257 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.405 0.384 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.460 2.620 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.097 4.298 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.722 3.580 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.455 3.069 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.197 2.977 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.482 1.696 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.436 1.296 -3.335 1.00 0.00 H new ATOM 277 N LEU A 22 -5.954 -1.807 -3.558 1.00 0.00 N ATOM 278 CA LEU A 22 -5.634 -3.207 -3.303 1.00 0.00 C ATOM 279 C LEU A 22 -5.355 -3.441 -1.821 1.00 0.00 C ATOM 280 O LEU A 22 -4.941 -2.529 -1.106 1.00 0.00 O ATOM 281 CB LEU A 22 -4.422 -3.633 -4.134 1.00 0.00 C ATOM 282 CG LEU A 22 -4.335 -5.121 -4.479 1.00 0.00 C ATOM 283 CD1 LEU A 22 -5.558 -5.558 -5.269 1.00 0.00 C ATOM 284 CD2 LEU A 22 -3.061 -5.413 -5.260 1.00 0.00 C ATOM 0 H LEU A 22 -5.174 -1.254 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.496 -3.809 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.426 -3.064 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.518 -3.352 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.307 -5.689 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.478 -6.619 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.456 -5.385 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.618 -4.984 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.015 -6.476 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.060 -4.835 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.194 -5.138 -4.659 1.00 0.00 H new ATOM 296 N MET A 23 -5.584 -4.669 -1.368 1.00 0.00 N ATOM 297 CA MET A 23 -5.355 -5.023 0.028 1.00 0.00 C ATOM 298 C MET A 23 -4.263 -6.082 0.148 1.00 0.00 C ATOM 299 O MET A 23 -4.137 -6.958 -0.708 1.00 0.00 O ATOM 300 CB MET A 23 -6.648 -5.533 0.666 1.00 0.00 C ATOM 301 CG MET A 23 -7.843 -4.624 0.427 1.00 0.00 C ATOM 302 SD MET A 23 -9.344 -5.226 1.225 1.00 0.00 S ATOM 303 CE MET A 23 -10.257 -3.698 1.423 1.00 0.00 C ATOM 0 H MET A 23 -5.928 -5.435 -1.947 1.00 0.00 H new ATOM 0 HA MET A 23 -5.027 -4.127 0.555 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.871 -6.524 0.272 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.495 -5.644 1.740 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.615 -3.625 0.798 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.017 -4.534 -0.645 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.213 -3.905 1.904 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.682 -3.008 2.040 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.433 -3.250 0.445 1.00 0.00 H new ATOM 313 N CYS A 24 -3.476 -5.995 1.214 1.00 0.00 N ATOM 314 CA CYS A 24 -2.394 -6.945 1.446 1.00 0.00 C ATOM 315 C CYS A 24 -2.858 -8.089 2.343 1.00 0.00 C ATOM 316 O CYS A 24 -3.668 -7.893 3.249 1.00 0.00 O ATOM 317 CB CYS A 24 -1.194 -6.239 2.081 1.00 0.00 C ATOM 318 SG CYS A 24 0.235 -7.327 2.383 1.00 0.00 S ATOM 0 H CYS A 24 -3.567 -5.276 1.932 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.095 -7.359 0.483 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.883 -5.420 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.506 -5.796 3.027 1.00 0.00 H new ATOM 323 N ASP A 25 -2.338 -9.284 2.084 1.00 0.00 N ATOM 324 CA ASP A 25 -2.697 -10.460 2.869 1.00 0.00 C ATOM 325 C ASP A 25 -1.673 -10.712 3.971 1.00 0.00 C ATOM 326 O ASP A 25 -1.259 -11.849 4.201 1.00 0.00 O ATOM 327 CB ASP A 25 -2.804 -11.689 1.964 1.00 0.00 C ATOM 328 CG ASP A 25 -3.822 -12.692 2.470 1.00 0.00 C ATOM 329 OD1 ASP A 25 -3.950 -12.839 3.704 1.00 0.00 O ATOM 330 OD2 ASP A 25 -4.492 -13.331 1.631 1.00 0.00 O ATOM 0 H ASP A 25 -1.667 -9.464 1.337 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.665 -10.275 3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.078 -11.373 0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.829 -12.170 1.892 1.00 0.00 H new ATOM 335 N THR A 26 -1.266 -9.643 4.649 1.00 0.00 N ATOM 336 CA THR A 26 -0.289 -9.748 5.725 1.00 0.00 C ATOM 337 C THR A 26 -0.332 -8.520 6.628 1.00 0.00 C ATOM 338 O THR A 26 -0.704 -8.611 7.799 1.00 0.00 O ATOM 339 CB THR A 26 1.139 -9.913 5.172 1.00 0.00 C ATOM 340 OG1 THR A 26 1.106 -9.985 3.743 1.00 0.00 O ATOM 341 CG2 THR A 26 1.794 -11.167 5.733 1.00 0.00 C ATOM 0 H THR A 26 -1.598 -8.695 4.472 1.00 0.00 H new ATOM 0 HA THR A 26 -0.551 -10.633 6.305 1.00 0.00 H new ATOM 0 HB THR A 26 1.726 -9.047 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.870 -9.107 3.377 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.802 -11.263 5.329 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.844 -11.096 6.820 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.206 -12.041 5.453 1.00 0.00 H new ATOM 349 N CYS A 27 0.049 -7.373 6.078 1.00 0.00 N ATOM 350 CA CYS A 27 0.053 -6.126 6.834 1.00 0.00 C ATOM 351 C CYS A 27 -1.269 -5.383 6.665 1.00 0.00 C ATOM 352 O CYS A 27 -2.230 -5.922 6.117 1.00 0.00 O ATOM 353 CB CYS A 27 1.213 -5.236 6.383 1.00 0.00 C ATOM 354 SG CYS A 27 1.018 -4.555 4.704 1.00 0.00 S ATOM 0 H CYS A 27 0.359 -7.280 5.111 1.00 0.00 H new ATOM 0 HA CYS A 27 0.180 -6.370 7.889 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.320 -4.411 7.088 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.137 -5.813 6.425 1.00 0.00 H new ATOM 359 N SER A 28 -1.309 -4.142 7.139 1.00 0.00 N ATOM 360 CA SER A 28 -2.513 -3.325 7.044 1.00 0.00 C ATOM 361 C SER A 28 -2.252 -2.066 6.222 1.00 0.00 C ATOM 362 O SER A 28 -2.431 -0.948 6.706 1.00 0.00 O ATOM 363 CB SER A 28 -3.007 -2.943 8.441 1.00 0.00 C ATOM 364 OG SER A 28 -1.926 -2.589 9.285 1.00 0.00 O ATOM 0 H SER A 28 -0.521 -3.680 7.593 1.00 0.00 H new ATOM 0 HA SER A 28 -3.282 -3.912 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.704 -2.108 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.555 -3.778 8.877 1.00 0.00 H new ATOM 0 HG SER A 28 -2.268 -2.347 10.171 1.00 0.00 H new ATOM 370 N ARG A 29 -1.829 -2.257 4.977 1.00 0.00 N ATOM 371 CA ARG A 29 -1.542 -1.138 4.088 1.00 0.00 C ATOM 372 C ARG A 29 -2.205 -1.341 2.728 1.00 0.00 C ATOM 373 O ARG A 29 -2.290 -2.463 2.228 1.00 0.00 O ATOM 374 CB ARG A 29 -0.031 -0.974 3.911 1.00 0.00 C ATOM 375 CG ARG A 29 0.739 -0.979 5.222 1.00 0.00 C ATOM 376 CD ARG A 29 1.534 0.304 5.406 1.00 0.00 C ATOM 377 NE ARG A 29 1.792 0.591 6.814 1.00 0.00 N ATOM 378 CZ ARG A 29 2.678 -0.071 7.549 1.00 0.00 C ATOM 379 NH1 ARG A 29 3.389 -1.053 7.012 1.00 0.00 N ATOM 380 NH2 ARG A 29 2.856 0.249 8.825 1.00 0.00 N ATOM 0 H ARG A 29 -1.677 -3.176 4.561 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.948 -0.233 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.342 -1.779 3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.166 -0.039 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.044 -1.100 6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.415 -1.834 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.481 0.223 4.873 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.988 1.136 4.961 1.00 0.00 H new ATOM 0 HE ARG A 29 1.262 1.341 7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.256 -1.302 6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.069 -1.560 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.312 1.004 9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.537 -0.260 9.388 1.00 0.00 H new ATOM 394 N VAL A 30 -2.673 -0.248 2.135 1.00 0.00 N ATOM 395 CA VAL A 30 -3.327 -0.305 0.833 1.00 0.00 C ATOM 396 C VAL A 30 -2.451 0.314 -0.250 1.00 0.00 C ATOM 397 O VAL A 30 -1.748 1.296 -0.009 1.00 0.00 O ATOM 398 CB VAL A 30 -4.686 0.420 0.855 1.00 0.00 C ATOM 399 CG1 VAL A 30 -5.718 -0.402 1.612 1.00 0.00 C ATOM 400 CG2 VAL A 30 -4.540 1.805 1.469 1.00 0.00 C ATOM 0 H VAL A 30 -2.612 0.688 2.535 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.489 -1.359 0.607 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.033 0.537 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.671 0.126 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.841 -1.369 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.382 -0.553 2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.509 2.304 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.171 1.713 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.835 2.392 0.880 1.00 0.00 H new ATOM 410 N TYR A 31 -2.498 -0.266 -1.444 1.00 0.00 N ATOM 411 CA TYR A 31 -1.706 0.227 -2.565 1.00 0.00 C ATOM 412 C TYR A 31 -2.465 0.068 -3.879 1.00 0.00 C ATOM 413 O TYR A 31 -3.031 -0.989 -4.159 1.00 0.00 O ATOM 414 CB TYR A 31 -0.372 -0.517 -2.641 1.00 0.00 C ATOM 415 CG TYR A 31 0.409 -0.492 -1.346 1.00 0.00 C ATOM 416 CD1 TYR A 31 1.153 0.623 -0.981 1.00 0.00 C ATOM 417 CD2 TYR A 31 0.401 -1.584 -0.487 1.00 0.00 C ATOM 418 CE1 TYR A 31 1.869 0.649 0.200 1.00 0.00 C ATOM 419 CE2 TYR A 31 1.113 -1.567 0.697 1.00 0.00 C ATOM 420 CZ TYR A 31 1.845 -0.448 1.036 1.00 0.00 C ATOM 421 OH TYR A 31 2.555 -0.425 2.215 1.00 0.00 O ATOM 0 H TYR A 31 -3.076 -1.078 -1.661 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.514 1.288 -2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.559 -1.553 -2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.236 -0.076 -3.431 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.172 1.485 -1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.172 -2.461 -0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.444 1.523 0.467 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.097 -2.425 1.353 1.00 0.00 H new ATOM 0 HH TYR A 31 2.432 -1.274 2.688 1.00 0.00 H new ATOM 431 N HIS A 32 -2.471 1.126 -4.684 1.00 0.00 N ATOM 432 CA HIS A 32 -3.158 1.105 -5.970 1.00 0.00 C ATOM 433 C HIS A 32 -2.630 -0.023 -6.850 1.00 0.00 C ATOM 434 O HIS A 32 -1.737 -0.772 -6.449 1.00 0.00 O ATOM 435 CB HIS A 32 -2.989 2.446 -6.684 1.00 0.00 C ATOM 436 CG HIS A 32 -4.061 3.439 -6.356 1.00 0.00 C ATOM 437 ND1 HIS A 32 -3.866 4.803 -6.409 1.00 0.00 N ATOM 438 CD2 HIS A 32 -5.346 3.259 -5.969 1.00 0.00 C ATOM 439 CE1 HIS A 32 -4.984 5.419 -6.069 1.00 0.00 C ATOM 440 NE2 HIS A 32 -5.898 4.505 -5.797 1.00 0.00 N ATOM 0 H HIS A 32 -2.008 2.009 -4.468 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.218 0.931 -5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.020 2.869 -6.420 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.980 2.276 -7.761 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.844 2.312 -5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.127 6.488 -6.021 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.857 4.694 -5.507 1.00 0.00 H new ATOM 448 N LEU A 33 -3.186 -0.141 -8.051 1.00 0.00 N ATOM 449 CA LEU A 33 -2.771 -1.179 -8.988 1.00 0.00 C ATOM 450 C LEU A 33 -1.644 -0.682 -9.887 1.00 0.00 C ATOM 451 O LEU A 33 -0.849 -1.472 -10.396 1.00 0.00 O ATOM 452 CB LEU A 33 -3.959 -1.628 -9.840 1.00 0.00 C ATOM 453 CG LEU A 33 -4.839 -2.726 -9.241 1.00 0.00 C ATOM 454 CD1 LEU A 33 -6.030 -3.007 -10.143 1.00 0.00 C ATOM 455 CD2 LEU A 33 -4.029 -3.993 -9.014 1.00 0.00 C ATOM 0 H LEU A 33 -3.925 0.469 -8.399 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.403 -2.028 -8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.585 -0.759 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.580 -1.978 -10.800 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.213 -2.380 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.645 -3.791 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.624 -2.100 -10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.677 -3.332 -11.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.671 -4.764 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.625 -4.342 -9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.209 -3.783 -8.327 1.00 0.00 H new ATOM 467 N ASP A 34 -1.580 0.631 -10.076 1.00 0.00 N ATOM 468 CA ASP A 34 -0.548 1.235 -10.912 1.00 0.00 C ATOM 469 C ASP A 34 0.563 1.832 -10.055 1.00 0.00 C ATOM 470 O ASP A 34 1.685 2.029 -10.523 1.00 0.00 O ATOM 471 CB ASP A 34 -1.155 2.315 -11.809 1.00 0.00 C ATOM 472 CG ASP A 34 -1.463 3.591 -11.050 1.00 0.00 C ATOM 473 OD1 ASP A 34 -0.569 4.458 -10.958 1.00 0.00 O ATOM 474 OD2 ASP A 34 -2.600 3.723 -10.550 1.00 0.00 O ATOM 0 H ASP A 34 -2.231 1.298 -9.662 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.119 0.454 -11.539 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.465 2.537 -12.623 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.071 1.935 -12.262 1.00 0.00 H new ATOM 479 N CYS A 35 0.244 2.121 -8.798 1.00 0.00 N ATOM 480 CA CYS A 35 1.214 2.698 -7.875 1.00 0.00 C ATOM 481 C CYS A 35 1.869 1.612 -7.025 1.00 0.00 C ATOM 482 O CYS A 35 1.820 1.657 -5.795 1.00 0.00 O ATOM 483 CB CYS A 35 0.538 3.730 -6.971 1.00 0.00 C ATOM 484 SG CYS A 35 -0.525 4.913 -7.858 1.00 0.00 S ATOM 0 H CYS A 35 -0.680 1.965 -8.395 1.00 0.00 H new ATOM 0 HA CYS A 35 1.988 3.191 -8.463 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.062 3.207 -6.226 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.307 4.283 -6.431 1.00 0.00 H new ATOM 489 N LEU A 36 2.483 0.639 -7.690 1.00 0.00 N ATOM 490 CA LEU A 36 3.148 -0.459 -6.996 1.00 0.00 C ATOM 491 C LEU A 36 4.630 -0.509 -7.354 1.00 0.00 C ATOM 492 O LEU A 36 5.125 0.324 -8.114 1.00 0.00 O ATOM 493 CB LEU A 36 2.482 -1.790 -7.349 1.00 0.00 C ATOM 494 CG LEU A 36 1.174 -2.099 -6.620 1.00 0.00 C ATOM 495 CD1 LEU A 36 0.518 -3.341 -7.203 1.00 0.00 C ATOM 496 CD2 LEU A 36 1.423 -2.276 -5.129 1.00 0.00 C ATOM 0 H LEU A 36 2.534 0.588 -8.707 1.00 0.00 H new ATOM 0 HA LEU A 36 3.056 -0.287 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.289 -1.804 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.189 -2.593 -7.142 1.00 0.00 H new ATOM 0 HG LEU A 36 0.496 -1.256 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.411 -3.545 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.304 -3.178 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.191 -4.192 -7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.481 -2.495 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.119 -3.100 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.848 -1.359 -4.720 1.00 0.00 H new ATOM 508 N ASP A 37 5.333 -1.492 -6.802 1.00 0.00 N ATOM 509 CA ASP A 37 6.759 -1.653 -7.065 1.00 0.00 C ATOM 510 C ASP A 37 7.161 -3.123 -6.994 1.00 0.00 C ATOM 511 O ASP A 37 7.420 -3.671 -5.922 1.00 0.00 O ATOM 512 CB ASP A 37 7.579 -0.838 -6.064 1.00 0.00 C ATOM 513 CG ASP A 37 8.345 0.290 -6.725 1.00 0.00 C ATOM 514 OD1 ASP A 37 7.750 1.000 -7.563 1.00 0.00 O ATOM 515 OD2 ASP A 37 9.540 0.463 -6.406 1.00 0.00 O ATOM 0 H ASP A 37 4.939 -2.189 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 37 6.962 -1.287 -8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.914 -0.426 -5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.279 -1.497 -5.551 1.00 0.00 H new ATOM 520 N PRO A 38 7.215 -3.779 -8.163 1.00 0.00 N ATOM 521 CA PRO A 38 6.909 -3.138 -9.445 1.00 0.00 C ATOM 522 C PRO A 38 5.427 -2.806 -9.588 1.00 0.00 C ATOM 523 O PRO A 38 4.588 -3.251 -8.804 1.00 0.00 O ATOM 524 CB PRO A 38 7.322 -4.192 -10.476 1.00 0.00 C ATOM 525 CG PRO A 38 7.219 -5.490 -9.753 1.00 0.00 C ATOM 526 CD PRO A 38 7.578 -5.197 -8.322 1.00 0.00 C ATOM 0 HA PRO A 38 7.426 -2.185 -9.558 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.667 -4.171 -11.347 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.336 -4.018 -10.835 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.211 -5.899 -9.827 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.895 -6.230 -10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.025 -5.833 -7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.638 -5.364 -8.131 1.00 0.00 H new ATOM 534 N PRO A 39 5.096 -2.005 -10.612 1.00 0.00 N ATOM 535 CA PRO A 39 3.714 -1.597 -10.881 1.00 0.00 C ATOM 536 C PRO A 39 2.854 -2.753 -11.379 1.00 0.00 C ATOM 537 O PRO A 39 3.371 -3.772 -11.839 1.00 0.00 O ATOM 538 CB PRO A 39 3.865 -0.534 -11.973 1.00 0.00 C ATOM 539 CG PRO A 39 5.149 -0.867 -12.651 1.00 0.00 C ATOM 540 CD PRO A 39 6.044 -1.438 -11.585 1.00 0.00 C ATOM 0 HA PRO A 39 3.213 -1.237 -9.982 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.029 -0.563 -12.672 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.890 0.469 -11.548 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.991 -1.586 -13.455 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.595 0.020 -13.101 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.712 -2.200 -11.987 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.672 -0.670 -11.134 1.00 0.00 H new ATOM 548 N LEU A 40 1.539 -2.590 -11.285 1.00 0.00 N ATOM 549 CA LEU A 40 0.606 -3.621 -11.727 1.00 0.00 C ATOM 550 C LEU A 40 -0.438 -3.040 -12.675 1.00 0.00 C ATOM 551 O LEU A 40 -0.441 -1.841 -12.954 1.00 0.00 O ATOM 552 CB LEU A 40 -0.084 -4.262 -10.521 1.00 0.00 C ATOM 553 CG LEU A 40 0.555 -5.543 -9.985 1.00 0.00 C ATOM 554 CD1 LEU A 40 -0.196 -6.042 -8.761 1.00 0.00 C ATOM 555 CD2 LEU A 40 0.591 -6.614 -11.065 1.00 0.00 C ATOM 0 H LEU A 40 1.094 -1.754 -10.907 1.00 0.00 H new ATOM 0 HA LEU A 40 1.172 -4.384 -12.262 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.115 -3.530 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.117 -4.481 -10.793 1.00 0.00 H new ATOM 0 HG LEU A 40 1.580 -5.319 -9.690 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.273 -6.955 -8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.168 -5.280 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.232 -6.249 -9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.049 -7.519 -10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.425 -6.836 -11.392 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.175 -6.256 -11.913 1.00 0.00 H new ATOM 567 N LYS A 41 -1.324 -3.899 -13.168 1.00 0.00 N ATOM 568 CA LYS A 41 -2.376 -3.472 -14.083 1.00 0.00 C ATOM 569 C LYS A 41 -3.706 -4.128 -13.727 1.00 0.00 C ATOM 570 O LYS A 41 -4.623 -3.471 -13.233 1.00 0.00 O ATOM 571 CB LYS A 41 -1.996 -3.815 -15.525 1.00 0.00 C ATOM 572 CG LYS A 41 -3.122 -3.592 -16.521 1.00 0.00 C ATOM 573 CD LYS A 41 -2.652 -2.790 -17.723 1.00 0.00 C ATOM 574 CE LYS A 41 -3.580 -2.976 -18.914 1.00 0.00 C ATOM 575 NZ LYS A 41 -3.091 -2.249 -20.117 1.00 0.00 N ATOM 0 H LYS A 41 -1.334 -4.895 -12.949 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.487 -2.392 -13.990 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.137 -3.211 -15.819 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.683 -4.858 -15.571 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.511 -4.554 -16.854 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.943 -3.069 -16.032 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.603 -1.733 -17.460 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.643 -3.098 -17.995 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.669 -4.038 -19.143 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.578 -2.621 -18.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.751 -2.401 -20.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.030 -1.232 -19.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.150 -2.605 -20.379 1.00 0.00 H new ATOM 589 N THR A 42 -3.805 -5.430 -13.979 1.00 0.00 N ATOM 590 CA THR A 42 -5.022 -6.175 -13.684 1.00 0.00 C ATOM 591 C THR A 42 -4.952 -6.821 -12.305 1.00 0.00 C ATOM 592 O THR A 42 -4.027 -6.561 -11.535 1.00 0.00 O ATOM 593 CB THR A 42 -5.281 -7.269 -14.738 1.00 0.00 C ATOM 594 OG1 THR A 42 -4.307 -8.311 -14.611 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.230 -6.689 -16.143 1.00 0.00 C ATOM 0 H THR A 42 -3.056 -5.990 -14.387 1.00 0.00 H new ATOM 0 HA THR A 42 -5.843 -5.458 -13.705 1.00 0.00 H new ATOM 0 HB THR A 42 -6.276 -7.679 -14.567 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.479 -9.003 -15.283 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.416 -7.480 -16.870 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.992 -5.916 -16.245 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.246 -6.255 -16.322 1.00 0.00 H new ATOM 603 N ILE A 43 -5.933 -7.663 -12.001 1.00 0.00 N ATOM 604 CA ILE A 43 -5.980 -8.347 -10.714 1.00 0.00 C ATOM 605 C ILE A 43 -4.903 -9.423 -10.624 1.00 0.00 C ATOM 606 O ILE A 43 -4.928 -10.423 -11.341 1.00 0.00 O ATOM 607 CB ILE A 43 -7.357 -8.993 -10.470 1.00 0.00 C ATOM 608 CG1 ILE A 43 -8.461 -7.938 -10.551 1.00 0.00 C ATOM 609 CG2 ILE A 43 -7.382 -9.692 -9.119 1.00 0.00 C ATOM 610 CD1 ILE A 43 -9.853 -8.504 -10.374 1.00 0.00 C ATOM 0 H ILE A 43 -6.706 -7.888 -12.627 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.801 -7.592 -9.948 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.535 -9.738 -11.246 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.286 -7.181 -9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.402 -7.436 -11.517 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.361 -10.144 -8.961 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.617 -10.468 -9.097 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.186 -8.966 -8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.585 -7.699 -10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.048 -9.240 -11.154 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.930 -8.981 -9.397 1.00 0.00 H new ATOM 622 N PRO A 44 -3.934 -9.216 -9.720 1.00 0.00 N ATOM 623 CA PRO A 44 -2.831 -10.158 -9.512 1.00 0.00 C ATOM 624 C PRO A 44 -3.293 -11.458 -8.863 1.00 0.00 C ATOM 625 O PRO A 44 -3.336 -11.571 -7.638 1.00 0.00 O ATOM 626 CB PRO A 44 -1.887 -9.398 -8.576 1.00 0.00 C ATOM 627 CG PRO A 44 -2.765 -8.433 -7.856 1.00 0.00 C ATOM 628 CD PRO A 44 -3.842 -8.045 -8.831 1.00 0.00 C ATOM 0 HA PRO A 44 -2.369 -10.459 -10.452 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.389 -10.074 -7.882 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.106 -8.882 -9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.193 -8.887 -6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.200 -7.559 -7.531 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.788 -7.847 -8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.579 -7.142 -9.382 1.00 0.00 H new ATOM 636 N LYS A 45 -3.638 -12.438 -9.692 1.00 0.00 N ATOM 637 CA LYS A 45 -4.095 -13.731 -9.199 1.00 0.00 C ATOM 638 C LYS A 45 -3.107 -14.311 -8.192 1.00 0.00 C ATOM 639 O LYS A 45 -1.934 -13.941 -8.176 1.00 0.00 O ATOM 640 CB LYS A 45 -4.283 -14.706 -10.364 1.00 0.00 C ATOM 641 CG LYS A 45 -2.976 -15.207 -10.954 1.00 0.00 C ATOM 642 CD LYS A 45 -3.072 -15.369 -12.462 1.00 0.00 C ATOM 643 CE LYS A 45 -2.668 -16.769 -12.899 1.00 0.00 C ATOM 644 NZ LYS A 45 -2.878 -16.977 -14.358 1.00 0.00 N ATOM 0 H LYS A 45 -3.610 -12.361 -10.709 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.052 -13.583 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.868 -15.559 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.861 -14.216 -11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.175 -14.508 -10.712 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.713 -16.163 -10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.092 -15.166 -12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.430 -14.635 -12.949 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.619 -16.937 -12.656 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.246 -17.505 -12.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.591 -17.943 -14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.884 -16.842 -14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.306 -16.292 -14.892 1.00 0.00 H new ATOM 658 N GLY A 46 -3.590 -15.222 -7.352 1.00 0.00 N ATOM 659 CA GLY A 46 -2.736 -15.839 -6.355 1.00 0.00 C ATOM 660 C GLY A 46 -2.478 -14.929 -5.170 1.00 0.00 C ATOM 661 O GLY A 46 -2.649 -13.713 -5.264 1.00 0.00 O ATOM 0 H GLY A 46 -4.558 -15.543 -7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.198 -16.762 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.786 -16.112 -6.814 1.00 0.00 H new ATOM 665 N MET A 47 -2.067 -15.518 -4.052 1.00 0.00 N ATOM 666 CA MET A 47 -1.786 -14.751 -2.844 1.00 0.00 C ATOM 667 C MET A 47 -0.827 -13.602 -3.140 1.00 0.00 C ATOM 668 O MET A 47 0.375 -13.812 -3.302 1.00 0.00 O ATOM 669 CB MET A 47 -1.195 -15.659 -1.764 1.00 0.00 C ATOM 670 CG MET A 47 -0.929 -14.945 -0.448 1.00 0.00 C ATOM 671 SD MET A 47 -0.656 -16.089 0.919 1.00 0.00 S ATOM 672 CE MET A 47 0.286 -15.057 2.040 1.00 0.00 C ATOM 0 H MET A 47 -1.921 -16.523 -3.957 1.00 0.00 H new ATOM 0 HA MET A 47 -2.725 -14.332 -2.483 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.878 -16.490 -1.586 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.262 -16.087 -2.131 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.056 -14.301 -0.558 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.774 -14.298 -0.212 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.320 -15.401 2.069 1.00 0.00 H new ATOM 0 HE2 MET A 47 0.257 -14.024 1.694 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.145 -15.118 3.039 1.00 0.00 H new ATOM 682 N TRP A 48 -1.366 -12.391 -3.209 1.00 0.00 N ATOM 683 CA TRP A 48 -0.557 -11.209 -3.486 1.00 0.00 C ATOM 684 C TRP A 48 -0.062 -10.573 -2.192 1.00 0.00 C ATOM 685 O TRP A 48 -0.756 -10.593 -1.175 1.00 0.00 O ATOM 686 CB TRP A 48 -1.364 -10.191 -4.293 1.00 0.00 C ATOM 687 CG TRP A 48 -0.559 -9.002 -4.724 1.00 0.00 C ATOM 688 CD1 TRP A 48 0.236 -8.908 -5.831 1.00 0.00 C ATOM 689 CD2 TRP A 48 -0.469 -7.740 -4.054 1.00 0.00 C ATOM 690 NE1 TRP A 48 0.814 -7.663 -5.890 1.00 0.00 N ATOM 691 CE2 TRP A 48 0.397 -6.927 -4.812 1.00 0.00 C ATOM 692 CE3 TRP A 48 -1.037 -7.217 -2.890 1.00 0.00 C ATOM 693 CZ2 TRP A 48 0.707 -5.622 -4.440 1.00 0.00 C ATOM 694 CZ3 TRP A 48 -0.728 -5.921 -2.522 1.00 0.00 C ATOM 695 CH2 TRP A 48 0.137 -5.135 -3.295 1.00 0.00 C ATOM 0 H TRP A 48 -2.359 -12.201 -3.077 1.00 0.00 H new ATOM 0 HA TRP A 48 0.309 -11.521 -4.070 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.775 -10.681 -5.175 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.209 -9.851 -3.694 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.388 -9.696 -6.553 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.450 -7.339 -6.618 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.706 -7.815 -2.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.374 -5.015 -5.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.161 -5.507 -1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.358 -4.126 -2.981 1.00 0.00 H new ATOM 706 N ILE A 49 1.140 -10.008 -2.237 1.00 0.00 N ATOM 707 CA ILE A 49 1.726 -9.365 -1.067 1.00 0.00 C ATOM 708 C ILE A 49 2.446 -8.077 -1.452 1.00 0.00 C ATOM 709 O ILE A 49 3.310 -8.074 -2.329 1.00 0.00 O ATOM 710 CB ILE A 49 2.716 -10.299 -0.348 1.00 0.00 C ATOM 711 CG1 ILE A 49 2.056 -11.647 -0.051 1.00 0.00 C ATOM 712 CG2 ILE A 49 3.216 -9.653 0.936 1.00 0.00 C ATOM 713 CD1 ILE A 49 2.991 -12.649 0.589 1.00 0.00 C ATOM 0 H ILE A 49 1.727 -9.982 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 49 0.904 -9.131 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 49 3.571 -10.471 -1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.202 -11.487 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.669 -12.065 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.915 -10.325 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.720 -8.716 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.372 -9.455 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.456 -13.581 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.833 -12.838 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.359 -12.251 1.535 1.00 0.00 H new ATOM 725 N CYS A 50 2.085 -6.983 -0.788 1.00 0.00 N ATOM 726 CA CYS A 50 2.697 -5.688 -1.058 1.00 0.00 C ATOM 727 C CYS A 50 4.219 -5.782 -0.998 1.00 0.00 C ATOM 728 O CYS A 50 4.787 -6.638 -0.319 1.00 0.00 O ATOM 729 CB CYS A 50 2.200 -4.646 -0.054 1.00 0.00 C ATOM 730 SG CYS A 50 2.878 -4.849 1.625 1.00 0.00 S ATOM 0 H CYS A 50 1.372 -6.968 -0.059 1.00 0.00 H new ATOM 0 HA CYS A 50 2.409 -5.381 -2.063 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.457 -3.652 -0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.112 -4.695 -0.004 1.00 0.00 H new ATOM 735 N PRO A 51 4.897 -4.882 -1.726 1.00 0.00 N ATOM 736 CA PRO A 51 6.362 -4.842 -1.772 1.00 0.00 C ATOM 737 C PRO A 51 6.971 -4.380 -0.452 1.00 0.00 C ATOM 738 O PRO A 51 8.176 -4.504 -0.237 1.00 0.00 O ATOM 739 CB PRO A 51 6.654 -3.828 -2.880 1.00 0.00 C ATOM 740 CG PRO A 51 5.449 -2.952 -2.920 1.00 0.00 C ATOM 741 CD PRO A 51 4.285 -3.833 -2.559 1.00 0.00 C ATOM 0 HA PRO A 51 6.792 -5.827 -1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.554 -3.253 -2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.815 -4.323 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.545 -2.124 -2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.316 -2.516 -3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.518 -3.283 -2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.807 -4.251 -3.445 1.00 0.00 H new ATOM 749 N ARG A 52 6.130 -3.847 0.428 1.00 0.00 N ATOM 750 CA ARG A 52 6.586 -3.366 1.726 1.00 0.00 C ATOM 751 C ARG A 52 6.804 -4.528 2.691 1.00 0.00 C ATOM 752 O ARG A 52 7.582 -4.424 3.640 1.00 0.00 O ATOM 753 CB ARG A 52 5.572 -2.384 2.315 1.00 0.00 C ATOM 754 CG ARG A 52 5.950 -0.925 2.116 1.00 0.00 C ATOM 755 CD ARG A 52 5.845 -0.518 0.654 1.00 0.00 C ATOM 756 NE ARG A 52 7.099 -0.730 -0.064 1.00 0.00 N ATOM 757 CZ ARG A 52 8.166 0.050 0.075 1.00 0.00 C ATOM 758 NH1 ARG A 52 8.131 1.086 0.901 1.00 0.00 N ATOM 759 NH2 ARG A 52 9.271 -0.208 -0.614 1.00 0.00 N ATOM 0 H ARG A 52 5.129 -3.737 0.265 1.00 0.00 H new ATOM 0 HA ARG A 52 7.537 -2.853 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.598 -2.564 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.466 -2.581 3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.298 -0.293 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.968 -0.760 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.051 -1.091 0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.563 0.533 0.590 1.00 0.00 H new ATOM 0 HE ARG A 52 7.159 -1.520 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.284 1.286 1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.952 1.683 1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.301 -1.005 -1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.090 0.391 -0.507 1.00 0.00 H new ATOM 773 N CYS A 53 6.111 -5.635 2.442 1.00 0.00 N ATOM 774 CA CYS A 53 6.227 -6.817 3.288 1.00 0.00 C ATOM 775 C CYS A 53 7.404 -7.685 2.851 1.00 0.00 C ATOM 776 O CYS A 53 8.277 -8.013 3.654 1.00 0.00 O ATOM 777 CB CYS A 53 4.933 -7.632 3.241 1.00 0.00 C ATOM 778 SG CYS A 53 3.640 -7.038 4.379 1.00 0.00 S ATOM 0 H CYS A 53 5.463 -5.738 1.661 1.00 0.00 H new ATOM 0 HA CYS A 53 6.403 -6.485 4.311 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.542 -7.616 2.224 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.162 -8.671 3.478 1.00 0.00 H new ATOM 783 N GLN A 54 7.419 -8.052 1.573 1.00 0.00 N ATOM 784 CA GLN A 54 8.488 -8.881 1.030 1.00 0.00 C ATOM 785 C GLN A 54 9.856 -8.292 1.359 1.00 0.00 C ATOM 786 O GLN A 54 10.832 -9.021 1.530 1.00 0.00 O ATOM 787 CB GLN A 54 8.332 -9.024 -0.485 1.00 0.00 C ATOM 788 CG GLN A 54 7.147 -9.883 -0.896 1.00 0.00 C ATOM 789 CD GLN A 54 7.541 -11.316 -1.197 1.00 0.00 C ATOM 790 OE1 GLN A 54 8.044 -12.029 -0.329 1.00 0.00 O ATOM 791 NE2 GLN A 54 7.314 -11.745 -2.433 1.00 0.00 N ATOM 0 H GLN A 54 6.704 -7.788 0.895 1.00 0.00 H new ATOM 0 HA GLN A 54 8.418 -9.867 1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.222 -8.033 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.244 -9.457 -0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.403 -9.874 -0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.675 -9.447 -1.777 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.895 -11.119 -3.121 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.559 -12.700 -2.694 1.00 0.00 H new ATOM 800 N ASP A 55 9.918 -6.968 1.445 1.00 0.00 N ATOM 801 CA ASP A 55 11.166 -6.279 1.753 1.00 0.00 C ATOM 802 C ASP A 55 11.628 -6.602 3.171 1.00 0.00 C ATOM 803 O ASP A 55 10.817 -6.918 4.041 1.00 0.00 O ATOM 804 CB ASP A 55 10.994 -4.768 1.591 1.00 0.00 C ATOM 805 CG ASP A 55 12.126 -4.138 0.803 1.00 0.00 C ATOM 806 OD1 ASP A 55 13.284 -4.568 0.982 1.00 0.00 O ATOM 807 OD2 ASP A 55 11.853 -3.214 0.008 1.00 0.00 O ATOM 0 H ASP A 55 9.119 -6.350 1.306 1.00 0.00 H new ATOM 0 HA ASP A 55 11.926 -6.626 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.048 -4.565 1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.938 -4.304 2.576 1.00 0.00 H new ATOM 812 N GLN A 56 12.936 -6.519 3.395 1.00 0.00 N ATOM 813 CA GLN A 56 13.505 -6.804 4.707 1.00 0.00 C ATOM 814 C GLN A 56 14.300 -5.611 5.226 1.00 0.00 C ATOM 815 O GLN A 56 13.706 -4.684 5.774 1.00 0.00 O ATOM 816 CB GLN A 56 14.403 -8.041 4.639 1.00 0.00 C ATOM 817 CG GLN A 56 15.584 -7.883 3.695 1.00 0.00 C ATOM 818 CD GLN A 56 16.917 -7.929 4.415 1.00 0.00 C ATOM 819 OE1 GLN A 56 17.032 -7.494 5.561 1.00 0.00 O ATOM 820 NE2 GLN A 56 17.934 -8.459 3.745 1.00 0.00 N ATOM 0 H GLN A 56 13.621 -6.257 2.686 1.00 0.00 H new ATOM 0 HA GLN A 56 12.684 -6.998 5.397 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.775 -8.265 5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.806 -8.896 4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.553 -8.673 2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.495 -6.936 3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.794 -8.808 2.797 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.855 -8.518 4.179 1.00 0.00 H new TER 829 GLN A 56 HETATM 830 ZN ZN A 201 -1.959 5.671 -6.226 1.00 0.00 ZN HETATM 831 ZN ZN A 401 1.893 -6.102 3.126 1.00 0.00 ZN