USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 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 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -48:sc= 1.06 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -140:sc= -0.072 (180deg=-1.97!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0671 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0662 K(o=-0.066,f=-1.6) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 3.367 17.299 -18.657 1.00 0.00 N ATOM 2 CA ALA A 2 4.576 16.529 -18.266 1.00 0.00 C ATOM 3 C ALA A 2 4.954 16.804 -16.813 1.00 0.00 C ATOM 4 O ALA A 2 6.081 17.205 -16.519 1.00 0.00 O ATOM 5 CB ALA A 2 5.737 16.870 -19.189 1.00 0.00 C ATOM 0 HA ALA A 2 4.349 15.467 -18.361 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.617 16.300 -18.892 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.471 16.619 -20.216 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.955 17.936 -19.121 1.00 0.00 H new ATOM 13 N SER A 3 4.005 16.587 -15.909 1.00 0.00 N ATOM 14 CA SER A 3 4.240 16.813 -14.486 1.00 0.00 C ATOM 15 C SER A 3 3.123 16.201 -13.646 1.00 0.00 C ATOM 16 O SER A 3 2.757 16.735 -12.599 1.00 0.00 O ATOM 17 CB SER A 3 4.349 18.310 -14.197 1.00 0.00 C ATOM 18 OG SER A 3 5.216 18.558 -13.104 1.00 0.00 O ATOM 0 H SER A 3 3.067 16.255 -16.135 1.00 0.00 H new ATOM 0 HA SER A 3 5.179 16.329 -14.217 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.718 18.828 -15.082 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.360 18.714 -13.980 1.00 0.00 H new ATOM 0 HG SER A 3 5.269 19.523 -12.941 1.00 0.00 H new ATOM 24 N THR A 4 2.585 15.079 -14.112 1.00 0.00 N ATOM 25 CA THR A 4 1.508 14.395 -13.404 1.00 0.00 C ATOM 26 C THR A 4 1.982 13.054 -12.853 1.00 0.00 C ATOM 27 O THR A 4 1.512 12.599 -11.810 1.00 0.00 O ATOM 28 CB THR A 4 0.312 14.184 -14.333 1.00 0.00 C ATOM 29 OG1 THR A 4 0.696 13.456 -15.486 1.00 0.00 O ATOM 30 CG2 THR A 4 -0.321 15.478 -14.796 1.00 0.00 C ATOM 0 H THR A 4 2.877 14.624 -14.977 1.00 0.00 H new ATOM 0 HA THR A 4 1.203 15.023 -12.567 1.00 0.00 H new ATOM 0 HB THR A 4 -0.419 13.632 -13.743 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.083 13.329 -16.067 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.163 15.257 -15.452 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.672 16.041 -13.931 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.416 16.070 -15.339 1.00 0.00 H new ATOM 38 N SER A 5 2.916 12.426 -13.559 1.00 0.00 N ATOM 39 CA SER A 5 3.453 11.136 -13.140 1.00 0.00 C ATOM 40 C SER A 5 2.352 10.082 -13.082 1.00 0.00 C ATOM 41 O SER A 5 1.840 9.763 -12.009 1.00 0.00 O ATOM 42 CB SER A 5 4.128 11.261 -11.774 1.00 0.00 C ATOM 43 OG SER A 5 4.845 10.081 -11.449 1.00 0.00 O ATOM 0 H SER A 5 3.317 12.789 -14.424 1.00 0.00 H new ATOM 0 HA SER A 5 4.193 10.822 -13.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.807 12.114 -11.777 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.376 11.455 -11.010 1.00 0.00 H new ATOM 0 HG SER A 5 5.269 10.187 -10.572 1.00 0.00 H new ATOM 49 N ARG A 6 1.995 9.543 -14.243 1.00 0.00 N ATOM 50 CA ARG A 6 0.956 8.523 -14.325 1.00 0.00 C ATOM 51 C ARG A 6 1.551 7.172 -14.710 1.00 0.00 C ATOM 52 O ARG A 6 2.058 7.000 -15.818 1.00 0.00 O ATOM 53 CB ARG A 6 -0.112 8.931 -15.341 1.00 0.00 C ATOM 54 CG ARG A 6 0.427 9.110 -16.751 1.00 0.00 C ATOM 55 CD ARG A 6 -0.119 8.051 -17.697 1.00 0.00 C ATOM 56 NE ARG A 6 -1.526 8.276 -18.018 1.00 0.00 N ATOM 57 CZ ARG A 6 -2.325 7.348 -18.540 1.00 0.00 C ATOM 58 NH1 ARG A 6 -1.859 6.132 -18.800 1.00 0.00 N ATOM 59 NH2 ARG A 6 -3.592 7.636 -18.801 1.00 0.00 N ATOM 0 H ARG A 6 2.410 9.796 -15.140 1.00 0.00 H new ATOM 0 HA ARG A 6 0.494 8.431 -13.342 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.897 8.175 -15.354 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.573 9.864 -15.016 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.161 10.101 -17.120 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.516 9.058 -16.735 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.467 8.050 -18.616 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.004 7.066 -17.244 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.919 9.198 -17.831 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.885 5.906 -18.600 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.475 5.424 -19.200 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.955 8.568 -18.602 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.205 6.925 -19.201 1.00 0.00 H new ATOM 73 N LEU A 7 1.485 6.217 -13.788 1.00 0.00 N ATOM 74 CA LEU A 7 2.020 4.883 -14.034 1.00 0.00 C ATOM 75 C LEU A 7 1.320 3.846 -13.162 1.00 0.00 C ATOM 76 O LEU A 7 0.674 4.187 -12.171 1.00 0.00 O ATOM 77 CB LEU A 7 3.526 4.857 -13.767 1.00 0.00 C ATOM 78 CG LEU A 7 4.396 5.345 -14.929 1.00 0.00 C ATOM 79 CD1 LEU A 7 5.040 6.683 -14.594 1.00 0.00 C ATOM 80 CD2 LEU A 7 5.461 4.313 -15.272 1.00 0.00 C ATOM 0 H LEU A 7 1.067 6.342 -12.866 1.00 0.00 H new ATOM 0 HA LEU A 7 1.839 4.634 -15.080 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.736 5.472 -12.892 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.818 3.837 -13.517 1.00 0.00 H new ATOM 0 HG LEU A 7 3.755 5.481 -15.800 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.654 7.012 -15.433 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.263 7.423 -14.401 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.665 6.574 -13.708 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.069 4.678 -16.100 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.096 4.143 -14.403 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.982 3.377 -15.559 1.00 0.00 H new ATOM 92 N ASP A 8 1.452 2.578 -13.538 1.00 0.00 N ATOM 93 CA ASP A 8 0.833 1.489 -12.791 1.00 0.00 C ATOM 94 C ASP A 8 -0.684 1.647 -12.760 1.00 0.00 C ATOM 95 O ASP A 8 -1.251 2.108 -11.769 1.00 0.00 O ATOM 96 CB ASP A 8 1.381 1.445 -11.364 1.00 0.00 C ATOM 97 CG ASP A 8 1.475 0.031 -10.825 1.00 0.00 C ATOM 98 OD1 ASP A 8 2.147 -0.805 -11.466 1.00 0.00 O ATOM 99 OD2 ASP A 8 0.877 -0.241 -9.763 1.00 0.00 O ATOM 0 H ASP A 8 1.983 2.279 -14.356 1.00 0.00 H new ATOM 0 HA ASP A 8 1.074 0.553 -13.294 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.369 1.906 -11.342 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.739 2.037 -10.712 1.00 0.00 H new ATOM 104 N ALA A 9 -1.335 1.259 -13.852 1.00 0.00 N ATOM 105 CA ALA A 9 -2.786 1.357 -13.951 1.00 0.00 C ATOM 106 C ALA A 9 -3.468 0.249 -13.156 1.00 0.00 C ATOM 107 O ALA A 9 -2.998 -0.889 -13.129 1.00 0.00 O ATOM 108 CB ALA A 9 -3.219 1.305 -15.410 1.00 0.00 C ATOM 0 H ALA A 9 -0.881 0.874 -14.680 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.091 2.313 -13.525 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.305 1.379 -15.470 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.768 2.135 -15.953 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.895 0.363 -15.852 1.00 0.00 H new ATOM 114 N LEU A 10 -4.579 0.590 -12.511 1.00 0.00 N ATOM 115 CA LEU A 10 -5.330 -0.372 -11.712 1.00 0.00 C ATOM 116 C LEU A 10 -4.485 -0.902 -10.555 1.00 0.00 C ATOM 117 O LEU A 10 -3.265 -1.022 -10.670 1.00 0.00 O ATOM 118 CB LEU A 10 -5.805 -1.535 -12.587 1.00 0.00 C ATOM 119 CG LEU A 10 -7.150 -1.314 -13.281 1.00 0.00 C ATOM 120 CD1 LEU A 10 -8.275 -1.257 -12.259 1.00 0.00 C ATOM 121 CD2 LEU A 10 -7.117 -0.040 -14.112 1.00 0.00 C ATOM 0 H LEU A 10 -4.980 1.528 -12.526 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.198 0.140 -11.297 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.049 -1.731 -13.347 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.875 -2.430 -11.969 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.336 -2.155 -13.949 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.224 -1.099 -12.771 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.312 -2.196 -11.706 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.096 -0.435 -11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.082 0.102 -14.599 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.909 0.812 -13.464 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.337 -0.120 -14.869 1.00 0.00 H new ATOM 133 N PRO A 11 -5.126 -1.225 -9.418 1.00 0.00 N ATOM 134 CA PRO A 11 -4.428 -1.741 -8.237 1.00 0.00 C ATOM 135 C PRO A 11 -3.975 -3.186 -8.412 1.00 0.00 C ATOM 136 O PRO A 11 -4.709 -4.017 -8.945 1.00 0.00 O ATOM 137 CB PRO A 11 -5.485 -1.643 -7.137 1.00 0.00 C ATOM 138 CG PRO A 11 -6.784 -1.764 -7.855 1.00 0.00 C ATOM 139 CD PRO A 11 -6.581 -1.110 -9.195 1.00 0.00 C ATOM 0 HA PRO A 11 -3.515 -1.184 -8.026 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.364 -2.436 -6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.414 -0.696 -6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.070 -2.810 -7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.584 -1.275 -7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.148 -1.614 -9.978 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.905 -0.069 -9.187 1.00 0.00 H new ATOM 147 N ARG A 12 -2.762 -3.480 -7.955 1.00 0.00 N ATOM 148 CA ARG A 12 -2.212 -4.827 -8.057 1.00 0.00 C ATOM 149 C ARG A 12 -2.228 -5.520 -6.699 1.00 0.00 C ATOM 150 O ARG A 12 -1.239 -5.496 -5.968 1.00 0.00 O ATOM 151 CB ARG A 12 -0.784 -4.781 -8.603 1.00 0.00 C ATOM 152 CG ARG A 12 -0.174 -6.156 -8.819 1.00 0.00 C ATOM 153 CD ARG A 12 1.216 -6.061 -9.427 1.00 0.00 C ATOM 154 NE ARG A 12 1.875 -7.364 -9.491 1.00 0.00 N ATOM 155 CZ ARG A 12 2.438 -7.962 -8.443 1.00 0.00 C ATOM 156 NH1 ARG A 12 2.427 -7.375 -7.251 1.00 0.00 N ATOM 157 NH2 ARG A 12 3.013 -9.147 -8.586 1.00 0.00 N ATOM 0 H ARG A 12 -2.141 -2.804 -7.510 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.835 -5.397 -8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.782 -4.239 -9.548 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.157 -4.218 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.120 -6.685 -7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.819 -6.742 -9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.145 -5.641 -10.430 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.824 -5.376 -8.837 1.00 0.00 H new ATOM 0 HE ARG A 12 1.905 -7.843 -10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.986 -6.462 -7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.860 -7.837 -6.451 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.024 -9.601 -9.499 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.444 -9.605 -7.783 1.00 0.00 H new ATOM 171 N VAL A 13 -3.358 -6.135 -6.369 1.00 0.00 N ATOM 172 CA VAL A 13 -3.505 -6.832 -5.098 1.00 0.00 C ATOM 173 C VAL A 13 -3.389 -8.344 -5.283 1.00 0.00 C ATOM 174 O VAL A 13 -3.529 -8.854 -6.394 1.00 0.00 O ATOM 175 CB VAL A 13 -4.857 -6.498 -4.433 1.00 0.00 C ATOM 176 CG1 VAL A 13 -6.016 -7.049 -5.253 1.00 0.00 C ATOM 177 CG2 VAL A 13 -4.902 -7.029 -3.008 1.00 0.00 C ATOM 0 H VAL A 13 -4.186 -6.165 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.698 -6.492 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.957 -5.413 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.958 -6.801 -4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.998 -6.609 -6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.923 -8.132 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.864 -6.782 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.773 -8.111 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.101 -6.574 -2.425 1.00 0.00 H new ATOM 187 N THR A 14 -3.132 -9.052 -4.186 1.00 0.00 N ATOM 188 CA THR A 14 -2.995 -10.507 -4.216 1.00 0.00 C ATOM 189 C THR A 14 -1.688 -10.920 -4.888 1.00 0.00 C ATOM 190 O THR A 14 -0.947 -10.080 -5.398 1.00 0.00 O ATOM 191 CB THR A 14 -4.183 -11.159 -4.938 1.00 0.00 C ATOM 192 OG1 THR A 14 -3.936 -11.263 -6.329 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.487 -10.410 -4.761 1.00 0.00 C ATOM 0 H THR A 14 -3.014 -8.640 -3.261 1.00 0.00 H new ATOM 0 HA THR A 14 -2.982 -10.855 -3.183 1.00 0.00 H new ATOM 0 HB THR A 14 -4.284 -12.142 -4.479 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.600 -10.407 -6.666 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.281 -10.929 -5.299 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.738 -10.362 -3.701 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.382 -9.399 -5.155 1.00 0.00 H new ATOM 201 N CYS A 15 -1.416 -12.220 -4.883 1.00 0.00 N ATOM 202 CA CYS A 15 -0.202 -12.755 -5.488 1.00 0.00 C ATOM 203 C CYS A 15 -0.466 -13.205 -6.925 1.00 0.00 C ATOM 204 O CYS A 15 -1.485 -13.837 -7.206 1.00 0.00 O ATOM 205 CB CYS A 15 0.321 -13.929 -4.658 1.00 0.00 C ATOM 206 SG CYS A 15 1.802 -14.720 -5.330 1.00 0.00 S ATOM 0 H CYS A 15 -2.023 -12.925 -4.465 1.00 0.00 H new ATOM 0 HA CYS A 15 0.551 -11.967 -5.508 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.538 -13.577 -3.650 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.468 -14.677 -4.572 1.00 0.00 H new ATOM 211 N PRO A 16 0.448 -12.887 -7.859 1.00 0.00 N ATOM 212 CA PRO A 16 0.299 -13.266 -9.269 1.00 0.00 C ATOM 213 C PRO A 16 0.316 -14.777 -9.468 1.00 0.00 C ATOM 214 O PRO A 16 -0.356 -15.305 -10.355 1.00 0.00 O ATOM 215 CB PRO A 16 1.513 -12.623 -9.950 1.00 0.00 C ATOM 216 CG PRO A 16 2.501 -12.413 -8.855 1.00 0.00 C ATOM 217 CD PRO A 16 1.693 -12.135 -7.620 1.00 0.00 C ATOM 0 HA PRO A 16 -0.656 -12.935 -9.677 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.918 -13.270 -10.728 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.245 -11.680 -10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.129 -13.294 -8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.166 -11.580 -9.083 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.203 -12.476 -6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.502 -11.069 -7.494 1.00 0.00 H new ATOM 225 N ASN A 17 1.089 -15.467 -8.638 1.00 0.00 N ATOM 226 CA ASN A 17 1.198 -16.920 -8.721 1.00 0.00 C ATOM 227 C ASN A 17 0.375 -17.606 -7.631 1.00 0.00 C ATOM 228 O ASN A 17 0.266 -18.832 -7.606 1.00 0.00 O ATOM 229 CB ASN A 17 2.663 -17.347 -8.612 1.00 0.00 C ATOM 230 CG ASN A 17 3.426 -17.127 -9.903 1.00 0.00 C ATOM 231 OD1 ASN A 17 3.049 -16.295 -10.727 1.00 0.00 O ATOM 232 ND2 ASN A 17 4.508 -17.875 -10.086 1.00 0.00 N ATOM 0 H ASN A 17 1.650 -15.044 -7.899 1.00 0.00 H new ATOM 0 HA ASN A 17 0.802 -17.228 -9.689 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.143 -16.787 -7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.712 -18.401 -8.339 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.062 -17.771 -10.936 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.785 -18.553 -9.376 1.00 0.00 H new ATOM 239 N HIS A 18 -0.207 -16.815 -6.731 1.00 0.00 N ATOM 240 CA HIS A 18 -1.017 -17.359 -5.649 1.00 0.00 C ATOM 241 C HIS A 18 -2.291 -16.539 -5.456 1.00 0.00 C ATOM 242 O HIS A 18 -2.432 -15.815 -4.471 1.00 0.00 O ATOM 243 CB HIS A 18 -0.218 -17.391 -4.343 1.00 0.00 C ATOM 244 CG HIS A 18 0.944 -18.333 -4.372 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.223 -17.902 -4.100 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.963 -19.662 -4.631 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.984 -18.981 -4.196 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.265 -20.067 -4.516 1.00 0.00 N ATOM 0 H HIS A 18 -0.131 -15.798 -6.732 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.296 -18.377 -5.920 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.145 -16.387 -4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.883 -17.674 -3.527 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.115 -20.282 -4.880 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.052 -18.986 -4.036 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.621 -21.014 -4.648 1.00 0.00 H new ATOM 256 N PRO A 19 -3.241 -16.642 -6.401 1.00 0.00 N ATOM 257 CA PRO A 19 -4.507 -15.906 -6.327 1.00 0.00 C ATOM 258 C PRO A 19 -5.237 -16.155 -5.013 1.00 0.00 C ATOM 259 O PRO A 19 -5.525 -15.221 -4.263 1.00 0.00 O ATOM 260 CB PRO A 19 -5.319 -16.464 -7.500 1.00 0.00 C ATOM 261 CG PRO A 19 -4.303 -16.996 -8.451 1.00 0.00 C ATOM 262 CD PRO A 19 -3.158 -17.484 -7.608 1.00 0.00 C ATOM 0 HA PRO A 19 -4.354 -14.828 -6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.001 -17.248 -7.171 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.927 -15.688 -7.965 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.718 -17.806 -9.051 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.974 -16.221 -9.144 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.258 -18.542 -7.368 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.203 -17.362 -8.118 1.00 0.00 H new ATOM 270 N ASP A 20 -5.531 -17.421 -4.739 1.00 0.00 N ATOM 271 CA ASP A 20 -6.226 -17.796 -3.513 1.00 0.00 C ATOM 272 C ASP A 20 -5.417 -17.391 -2.285 1.00 0.00 C ATOM 273 O ASP A 20 -5.973 -16.921 -1.291 1.00 0.00 O ATOM 274 CB ASP A 20 -6.486 -19.304 -3.491 1.00 0.00 C ATOM 275 CG ASP A 20 -7.705 -19.692 -4.304 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.913 -19.097 -5.383 1.00 0.00 O ATOM 277 OD2 ASP A 20 -8.454 -20.589 -3.862 1.00 0.00 O ATOM 0 H ASP A 20 -5.299 -18.205 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.180 -17.269 -3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.612 -19.826 -3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.621 -19.632 -2.460 1.00 0.00 H new ATOM 282 N ALA A 21 -4.103 -17.573 -2.361 1.00 0.00 N ATOM 283 CA ALA A 21 -3.218 -17.225 -1.256 1.00 0.00 C ATOM 284 C ALA A 21 -2.881 -15.737 -1.273 1.00 0.00 C ATOM 285 O ALA A 21 -1.885 -15.321 -1.863 1.00 0.00 O ATOM 286 CB ALA A 21 -1.947 -18.058 -1.315 1.00 0.00 C ATOM 0 H ALA A 21 -3.628 -17.960 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.737 -17.443 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.296 -17.787 -0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.202 -19.116 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.431 -17.869 -2.257 1.00 0.00 H new ATOM 292 N ILE A 22 -3.723 -14.939 -0.623 1.00 0.00 N ATOM 293 CA ILE A 22 -3.519 -13.498 -0.564 1.00 0.00 C ATOM 294 C ILE A 22 -2.457 -13.134 0.471 1.00 0.00 C ATOM 295 O ILE A 22 -2.432 -13.688 1.570 1.00 0.00 O ATOM 296 CB ILE A 22 -4.832 -12.762 -0.226 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.628 -11.245 -0.279 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.344 -13.187 1.144 1.00 0.00 C ATOM 299 CD1 ILE A 22 -5.186 -10.604 -1.530 1.00 0.00 C ATOM 0 H ILE A 22 -4.553 -15.268 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.179 -13.183 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.580 -13.032 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.100 -10.792 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.562 -11.027 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.271 -12.658 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.530 -14.261 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.598 -12.946 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.006 -9.529 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.697 -11.029 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.258 -10.791 -1.587 1.00 0.00 H new ATOM 311 N LEU A 23 -1.587 -12.194 0.113 1.00 0.00 N ATOM 312 CA LEU A 23 -0.527 -11.750 1.012 1.00 0.00 C ATOM 313 C LEU A 23 -1.108 -11.288 2.347 1.00 0.00 C ATOM 314 O LEU A 23 -2.318 -11.351 2.561 1.00 0.00 O ATOM 315 CB LEU A 23 0.268 -10.612 0.370 1.00 0.00 C ATOM 316 CG LEU A 23 1.201 -11.039 -0.766 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.490 -10.943 -2.106 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.461 -10.187 -0.766 1.00 0.00 C ATOM 0 H LEU A 23 -1.595 -11.725 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 23 0.140 -12.593 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.432 -9.870 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.860 -10.121 1.142 1.00 0.00 H new ATOM 0 HG LEU A 23 1.488 -12.078 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.169 -11.251 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.383 -11.595 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.173 -9.914 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.114 -10.503 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.192 -9.140 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.981 -10.307 0.184 1.00 0.00 H new ATOM 330 N VAL A 24 -0.239 -10.825 3.241 1.00 0.00 N ATOM 331 CA VAL A 24 -0.671 -10.355 4.551 1.00 0.00 C ATOM 332 C VAL A 24 0.129 -9.132 4.985 1.00 0.00 C ATOM 333 O VAL A 24 1.219 -8.878 4.473 1.00 0.00 O ATOM 334 CB VAL A 24 -0.521 -11.454 5.619 1.00 0.00 C ATOM 335 CG1 VAL A 24 -1.187 -11.031 6.920 1.00 0.00 C ATOM 336 CG2 VAL A 24 -1.099 -12.769 5.118 1.00 0.00 C ATOM 0 H VAL A 24 0.767 -10.766 3.081 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.724 -10.087 4.460 1.00 0.00 H new ATOM 0 HB VAL A 24 0.541 -11.602 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.070 -11.821 7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.721 -10.117 7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.248 -10.852 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.984 -13.533 5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.157 -12.639 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.571 -13.079 4.216 1.00 0.00 H new ATOM 346 N GLU A 25 -0.419 -8.378 5.931 1.00 0.00 N ATOM 347 CA GLU A 25 0.244 -7.181 6.435 1.00 0.00 C ATOM 348 C GLU A 25 1.421 -7.547 7.334 1.00 0.00 C ATOM 349 O GLU A 25 1.282 -8.344 8.262 1.00 0.00 O ATOM 350 CB GLU A 25 -0.748 -6.308 7.204 1.00 0.00 C ATOM 351 CG GLU A 25 -1.481 -5.305 6.329 1.00 0.00 C ATOM 352 CD GLU A 25 -2.181 -4.229 7.136 1.00 0.00 C ATOM 353 OE1 GLU A 25 -1.482 -3.383 7.731 1.00 0.00 O ATOM 354 OE2 GLU A 25 -3.430 -4.232 7.173 1.00 0.00 O ATOM 0 H GLU A 25 -1.321 -8.574 6.365 1.00 0.00 H new ATOM 0 HA GLU A 25 0.624 -6.621 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.478 -6.950 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.215 -5.772 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.772 -4.838 5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.214 -5.830 5.717 1.00 0.00 H new ATOM 361 N ASP A 26 2.580 -6.961 7.051 1.00 0.00 N ATOM 362 CA ASP A 26 3.782 -7.225 7.831 1.00 0.00 C ATOM 363 C ASP A 26 3.664 -6.628 9.232 1.00 0.00 C ATOM 364 O ASP A 26 2.586 -6.203 9.646 1.00 0.00 O ATOM 365 CB ASP A 26 5.012 -6.653 7.123 1.00 0.00 C ATOM 366 CG ASP A 26 6.216 -7.567 7.225 1.00 0.00 C ATOM 367 OD1 ASP A 26 6.057 -8.786 7.002 1.00 0.00 O ATOM 368 OD2 ASP A 26 7.318 -7.065 7.527 1.00 0.00 O ATOM 0 H ASP A 26 2.711 -6.299 6.286 1.00 0.00 H new ATOM 0 HA ASP A 26 3.894 -8.305 7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.777 -6.483 6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.258 -5.683 7.555 1.00 0.00 H new ATOM 373 N TYR A 27 4.780 -6.600 9.953 1.00 0.00 N ATOM 374 CA TYR A 27 4.802 -6.056 11.306 1.00 0.00 C ATOM 375 C TYR A 27 5.240 -4.594 11.294 1.00 0.00 C ATOM 376 O TYR A 27 6.347 -4.261 11.718 1.00 0.00 O ATOM 377 CB TYR A 27 5.738 -6.876 12.195 1.00 0.00 C ATOM 378 CG TYR A 27 5.263 -6.998 13.624 1.00 0.00 C ATOM 379 CD1 TYR A 27 5.335 -5.918 14.495 1.00 0.00 C ATOM 380 CD2 TYR A 27 4.744 -8.194 14.105 1.00 0.00 C ATOM 381 CE1 TYR A 27 4.901 -6.026 15.804 1.00 0.00 C ATOM 382 CE2 TYR A 27 4.308 -8.310 15.410 1.00 0.00 C ATOM 383 CZ TYR A 27 4.389 -7.223 16.256 1.00 0.00 C ATOM 384 OH TYR A 27 3.956 -7.336 17.557 1.00 0.00 O ATOM 0 H TYR A 27 5.681 -6.947 9.623 1.00 0.00 H new ATOM 0 HA TYR A 27 3.792 -6.112 11.711 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.846 -7.874 11.771 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.727 -6.417 12.188 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.736 -4.979 14.144 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.681 -9.048 13.447 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.963 -5.177 16.468 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.906 -9.247 15.767 1.00 0.00 H new ATOM 0 HH TYR A 27 3.623 -8.244 17.713 1.00 0.00 H new ATOM 394 N ARG A 28 4.362 -3.724 10.805 1.00 0.00 N ATOM 395 CA ARG A 28 4.655 -2.296 10.735 1.00 0.00 C ATOM 396 C ARG A 28 5.845 -2.030 9.820 1.00 0.00 C ATOM 397 O ARG A 28 6.987 -2.331 10.167 1.00 0.00 O ATOM 398 CB ARG A 28 4.936 -1.742 12.132 1.00 0.00 C ATOM 399 CG ARG A 28 3.852 -2.068 13.146 1.00 0.00 C ATOM 400 CD ARG A 28 2.657 -1.138 13.000 1.00 0.00 C ATOM 401 NE ARG A 28 1.660 -1.361 14.045 1.00 0.00 N ATOM 402 CZ ARG A 28 1.835 -1.028 15.320 1.00 0.00 C ATOM 403 NH1 ARG A 28 2.966 -0.456 15.715 1.00 0.00 N ATOM 404 NH2 ARG A 28 0.876 -1.265 16.206 1.00 0.00 N ATOM 0 H ARG A 28 3.441 -3.983 10.451 1.00 0.00 H new ATOM 0 HA ARG A 28 3.782 -1.791 10.322 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.886 -2.141 12.487 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.049 -0.660 12.069 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.529 -3.101 13.016 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.258 -1.985 14.154 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.996 -0.103 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.198 -1.288 12.023 1.00 0.00 H new ATOM 0 HE ARG A 28 0.777 -1.798 13.780 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.707 -0.270 15.039 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.094 -0.203 16.695 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.004 -1.703 15.909 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.011 -1.009 17.184 1.00 0.00 H new ATOM 418 N ALA A 29 5.569 -1.463 8.650 1.00 0.00 N ATOM 419 CA ALA A 29 6.614 -1.152 7.680 1.00 0.00 C ATOM 420 C ALA A 29 6.021 -0.558 6.409 1.00 0.00 C ATOM 421 O ALA A 29 6.600 0.345 5.804 1.00 0.00 O ATOM 422 CB ALA A 29 7.422 -2.400 7.353 1.00 0.00 C ATOM 0 H ALA A 29 4.628 -1.209 8.350 1.00 0.00 H new ATOM 0 HA ALA A 29 7.277 -0.410 8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.197 -2.152 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.885 -2.783 8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.763 -3.160 6.933 1.00 0.00 H new ATOM 428 N GLY A 30 4.864 -1.071 6.011 1.00 0.00 N ATOM 429 CA GLY A 30 4.206 -0.581 4.813 1.00 0.00 C ATOM 430 C GLY A 30 4.307 -1.557 3.657 1.00 0.00 C ATOM 431 O GLY A 30 4.281 -1.156 2.493 1.00 0.00 O ATOM 0 H GLY A 30 4.368 -1.819 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.156 -0.389 5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.650 0.371 4.521 1.00 0.00 H new ATOM 435 N ASP A 31 4.424 -2.842 3.977 1.00 0.00 N ATOM 436 CA ASP A 31 4.530 -3.878 2.956 1.00 0.00 C ATOM 437 C ASP A 31 3.817 -5.152 3.396 1.00 0.00 C ATOM 438 O ASP A 31 3.567 -5.358 4.583 1.00 0.00 O ATOM 439 CB ASP A 31 6.000 -4.184 2.659 1.00 0.00 C ATOM 440 CG ASP A 31 6.818 -2.928 2.428 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.969 -2.135 3.381 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.308 -2.740 1.295 1.00 0.00 O ATOM 0 H ASP A 31 4.448 -3.191 4.935 1.00 0.00 H new ATOM 0 HA ASP A 31 4.051 -3.507 2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.427 -4.744 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.064 -4.823 1.778 1.00 0.00 H new ATOM 447 N MET A 32 3.495 -6.005 2.429 1.00 0.00 N ATOM 448 CA MET A 32 2.814 -7.263 2.713 1.00 0.00 C ATOM 449 C MET A 32 3.686 -8.448 2.310 1.00 0.00 C ATOM 450 O MET A 32 4.729 -8.274 1.681 1.00 0.00 O ATOM 451 CB MET A 32 1.477 -7.322 1.971 1.00 0.00 C ATOM 452 CG MET A 32 0.673 -6.036 2.064 1.00 0.00 C ATOM 453 SD MET A 32 -1.103 -6.331 2.164 1.00 0.00 S ATOM 454 CE MET A 32 -1.665 -4.784 2.869 1.00 0.00 C ATOM 0 H MET A 32 3.695 -5.848 1.441 1.00 0.00 H new ATOM 0 HA MET A 32 2.627 -7.317 3.785 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.663 -7.549 0.921 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.883 -8.142 2.374 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.994 -5.474 2.941 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.886 -5.416 1.193 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.445 -4.981 3.604 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.829 -4.280 3.354 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.063 -4.147 2.079 1.00 0.00 H new ATOM 464 N ILE A 33 3.257 -9.652 2.677 1.00 0.00 N ATOM 465 CA ILE A 33 4.008 -10.859 2.349 1.00 0.00 C ATOM 466 C ILE A 33 3.074 -12.006 1.971 1.00 0.00 C ATOM 467 O ILE A 33 1.983 -12.134 2.525 1.00 0.00 O ATOM 468 CB ILE A 33 4.901 -11.302 3.526 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.838 -10.165 3.937 1.00 0.00 C ATOM 470 CG2 ILE A 33 5.699 -12.545 3.156 1.00 0.00 C ATOM 471 CD1 ILE A 33 6.869 -9.824 2.885 1.00 0.00 C ATOM 0 H ILE A 33 2.397 -9.817 3.200 1.00 0.00 H new ATOM 0 HA ILE A 33 4.640 -10.615 1.495 1.00 0.00 H new ATOM 0 HB ILE A 33 4.260 -11.548 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.245 -9.277 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.349 -10.441 4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.323 -12.841 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.015 -13.356 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.332 -12.328 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.499 -9.010 3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.487 -10.699 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.366 -9.517 1.968 1.00 0.00 H new ATOM 483 N CYS A 34 3.504 -12.844 1.029 1.00 0.00 N ATOM 484 CA CYS A 34 2.694 -13.976 0.595 1.00 0.00 C ATOM 485 C CYS A 34 3.023 -15.218 1.421 1.00 0.00 C ATOM 486 O CYS A 34 4.190 -15.561 1.597 1.00 0.00 O ATOM 487 CB CYS A 34 2.936 -14.247 -0.887 1.00 0.00 C ATOM 488 SG CYS A 34 1.852 -15.498 -1.613 1.00 0.00 S ATOM 0 H CYS A 34 4.403 -12.760 0.555 1.00 0.00 H new ATOM 0 HA CYS A 34 1.642 -13.733 0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.812 -13.315 -1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.971 -14.561 -1.021 1.00 0.00 H new ATOM 493 N PRO A 35 1.998 -15.909 1.948 1.00 0.00 N ATOM 494 CA PRO A 35 2.199 -17.108 2.764 1.00 0.00 C ATOM 495 C PRO A 35 2.530 -18.348 1.934 1.00 0.00 C ATOM 496 O PRO A 35 2.682 -19.442 2.477 1.00 0.00 O ATOM 497 CB PRO A 35 0.853 -17.278 3.465 1.00 0.00 C ATOM 498 CG PRO A 35 -0.137 -16.703 2.512 1.00 0.00 C ATOM 499 CD PRO A 35 0.567 -15.574 1.804 1.00 0.00 C ATOM 0 HA PRO A 35 3.046 -16.998 3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.642 -18.327 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.834 -16.755 4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.476 -17.457 1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.020 -16.341 3.039 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.273 -15.513 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.334 -14.610 2.257 1.00 0.00 H new ATOM 507 N GLU A 36 2.640 -18.176 0.620 1.00 0.00 N ATOM 508 CA GLU A 36 2.951 -19.290 -0.268 1.00 0.00 C ATOM 509 C GLU A 36 4.369 -19.170 -0.821 1.00 0.00 C ATOM 510 O GLU A 36 5.195 -20.062 -0.626 1.00 0.00 O ATOM 511 CB GLU A 36 1.940 -19.352 -1.412 1.00 0.00 C ATOM 512 CG GLU A 36 0.534 -19.712 -0.963 1.00 0.00 C ATOM 513 CD GLU A 36 0.470 -21.056 -0.265 1.00 0.00 C ATOM 514 OE1 GLU A 36 0.798 -21.116 0.938 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.094 -22.049 -0.922 1.00 0.00 O ATOM 0 H GLU A 36 2.519 -17.280 0.149 1.00 0.00 H new ATOM 0 HA GLU A 36 2.889 -20.212 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.915 -18.386 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.277 -20.085 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.163 -18.939 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.128 -19.725 -1.829 1.00 0.00 H new ATOM 522 N CYS A 37 4.651 -18.064 -1.507 1.00 0.00 N ATOM 523 CA CYS A 37 5.977 -17.844 -2.076 1.00 0.00 C ATOM 524 C CYS A 37 6.836 -16.969 -1.169 1.00 0.00 C ATOM 525 O CYS A 37 8.056 -16.912 -1.327 1.00 0.00 O ATOM 526 CB CYS A 37 5.886 -17.198 -3.462 1.00 0.00 C ATOM 527 SG CYS A 37 5.007 -15.623 -3.510 1.00 0.00 S ATOM 0 H CYS A 37 3.984 -17.312 -1.681 1.00 0.00 H new ATOM 0 HA CYS A 37 6.446 -18.823 -2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.896 -17.046 -3.843 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.392 -17.894 -4.140 1.00 0.00 H new ATOM 532 N GLY A 38 6.200 -16.277 -0.229 1.00 0.00 N ATOM 533 CA GLY A 38 6.940 -15.411 0.668 1.00 0.00 C ATOM 534 C GLY A 38 7.529 -14.222 -0.062 1.00 0.00 C ATOM 535 O GLY A 38 8.730 -13.969 0.017 1.00 0.00 O ATOM 0 H GLY A 38 5.192 -16.300 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.281 -15.061 1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.740 -15.978 1.145 1.00 0.00 H new ATOM 539 N LEU A 39 6.678 -13.494 -0.778 1.00 0.00 N ATOM 540 CA LEU A 39 7.121 -12.325 -1.530 1.00 0.00 C ATOM 541 C LEU A 39 6.688 -11.044 -0.827 1.00 0.00 C ATOM 542 O LEU A 39 5.889 -11.086 0.101 1.00 0.00 O ATOM 543 CB LEU A 39 6.573 -12.372 -2.964 1.00 0.00 C ATOM 544 CG LEU A 39 5.210 -11.701 -3.180 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.384 -10.349 -3.854 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.298 -12.594 -4.008 1.00 0.00 C ATOM 0 H LEU A 39 5.680 -13.692 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 39 8.210 -12.335 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.299 -11.899 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.496 -13.416 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 39 4.746 -11.546 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.408 -9.887 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.000 -9.706 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.869 -10.484 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.337 -12.100 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.756 -12.782 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.147 -13.541 -3.489 1.00 0.00 H new ATOM 558 N VAL A 40 7.217 -9.911 -1.271 1.00 0.00 N ATOM 559 CA VAL A 40 6.873 -8.628 -0.667 1.00 0.00 C ATOM 560 C VAL A 40 6.227 -7.692 -1.683 1.00 0.00 C ATOM 561 O VAL A 40 6.856 -7.295 -2.664 1.00 0.00 O ATOM 562 CB VAL A 40 8.112 -7.937 -0.067 1.00 0.00 C ATOM 563 CG1 VAL A 40 7.706 -6.697 0.717 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.893 -8.902 0.813 1.00 0.00 C ATOM 0 H VAL A 40 7.882 -9.853 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 40 6.161 -8.840 0.131 1.00 0.00 H new ATOM 0 HB VAL A 40 8.761 -7.625 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.595 -6.223 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.198 -5.997 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.034 -6.982 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.764 -8.394 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.256 -9.250 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.219 -9.755 0.218 1.00 0.00 H new ATOM 574 N VAL A 41 4.968 -7.342 -1.441 1.00 0.00 N ATOM 575 CA VAL A 41 4.238 -6.450 -2.333 1.00 0.00 C ATOM 576 C VAL A 41 4.020 -5.085 -1.689 1.00 0.00 C ATOM 577 O VAL A 41 3.593 -4.992 -0.538 1.00 0.00 O ATOM 578 CB VAL A 41 2.871 -7.043 -2.726 1.00 0.00 C ATOM 579 CG1 VAL A 41 2.192 -6.176 -3.775 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.033 -8.469 -3.228 1.00 0.00 C ATOM 0 H VAL A 41 4.432 -7.663 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 41 4.847 -6.333 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 41 2.237 -7.063 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.228 -6.612 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.040 -5.173 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.821 -6.121 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.058 -8.872 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.685 -8.475 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.472 -9.084 -2.442 1.00 0.00 H new ATOM 590 N GLY A 42 4.315 -4.030 -2.439 1.00 0.00 N ATOM 591 CA GLY A 42 4.144 -2.683 -1.926 1.00 0.00 C ATOM 592 C GLY A 42 5.412 -2.136 -1.299 1.00 0.00 C ATOM 593 O GLY A 42 6.376 -2.872 -1.090 1.00 0.00 O ATOM 0 H GLY A 42 4.670 -4.083 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.831 -2.026 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.345 -2.678 -1.185 1.00 0.00 H new ATOM 597 N ASP A 43 5.410 -0.842 -0.998 1.00 0.00 N ATOM 598 CA ASP A 43 6.569 -0.197 -0.390 1.00 0.00 C ATOM 599 C ASP A 43 6.278 1.268 -0.081 1.00 0.00 C ATOM 600 O ASP A 43 6.684 1.786 0.959 1.00 0.00 O ATOM 601 CB ASP A 43 7.784 -0.307 -1.314 1.00 0.00 C ATOM 602 CG ASP A 43 9.039 -0.725 -0.573 1.00 0.00 C ATOM 603 OD1 ASP A 43 9.186 -0.345 0.607 1.00 0.00 O ATOM 604 OD2 ASP A 43 9.874 -1.433 -1.173 1.00 0.00 O ATOM 0 H ASP A 43 4.620 -0.219 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 43 6.788 -0.709 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.573 -1.030 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.955 0.654 -1.800 1.00 0.00 H new ATOM 609 N ARG A 44 5.573 1.928 -0.992 1.00 0.00 N ATOM 610 CA ARG A 44 5.226 3.334 -0.820 1.00 0.00 C ATOM 611 C ARG A 44 4.376 3.534 0.432 1.00 0.00 C ATOM 612 O ARG A 44 4.055 2.577 1.136 1.00 0.00 O ATOM 613 CB ARG A 44 4.477 3.850 -2.050 1.00 0.00 C ATOM 614 CG ARG A 44 5.329 4.717 -2.961 1.00 0.00 C ATOM 615 CD ARG A 44 4.606 5.042 -4.258 1.00 0.00 C ATOM 616 NE ARG A 44 5.179 6.207 -4.928 1.00 0.00 N ATOM 617 CZ ARG A 44 4.619 6.810 -5.975 1.00 0.00 C ATOM 618 NH1 ARG A 44 3.474 6.363 -6.474 1.00 0.00 N ATOM 619 NH2 ARG A 44 5.208 7.864 -6.525 1.00 0.00 N ATOM 0 H ARG A 44 5.230 1.512 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 44 6.150 3.901 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.101 3.000 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.610 4.424 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.588 5.642 -2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.264 4.203 -3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.653 4.181 -4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.552 5.226 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 44 6.059 6.580 -4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.017 5.553 -6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.051 6.830 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.089 8.212 -6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.780 8.327 -7.327 1.00 0.00 H new ATOM 633 N VAL A 45 4.018 4.785 0.702 1.00 0.00 N ATOM 634 CA VAL A 45 3.206 5.112 1.868 1.00 0.00 C ATOM 635 C VAL A 45 1.814 4.497 1.758 1.00 0.00 C ATOM 636 O VAL A 45 1.062 4.802 0.834 1.00 0.00 O ATOM 637 CB VAL A 45 3.068 6.634 2.047 1.00 0.00 C ATOM 638 CG1 VAL A 45 2.392 6.958 3.371 1.00 0.00 C ATOM 639 CG2 VAL A 45 4.427 7.310 1.955 1.00 0.00 C ATOM 0 H VAL A 45 4.277 5.588 0.130 1.00 0.00 H new ATOM 0 HA VAL A 45 3.717 4.696 2.736 1.00 0.00 H new ATOM 0 HB VAL A 45 2.442 7.019 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.303 8.039 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.399 6.509 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.988 6.559 4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.308 8.386 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.080 6.921 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.868 7.108 0.979 1.00 0.00 H new ATOM 649 N ILE A 46 1.479 3.630 2.708 1.00 0.00 N ATOM 650 CA ILE A 46 0.177 2.973 2.718 1.00 0.00 C ATOM 651 C ILE A 46 -0.903 3.903 3.260 1.00 0.00 C ATOM 652 O ILE A 46 -1.309 3.792 4.417 1.00 0.00 O ATOM 653 CB ILE A 46 0.204 1.686 3.563 1.00 0.00 C ATOM 654 CG1 ILE A 46 1.401 0.817 3.171 1.00 0.00 C ATOM 655 CG2 ILE A 46 -1.096 0.914 3.395 1.00 0.00 C ATOM 656 CD1 ILE A 46 1.353 0.334 1.738 1.00 0.00 C ATOM 0 H ILE A 46 2.091 3.366 3.480 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.056 2.714 1.685 1.00 0.00 H new ATOM 0 HB ILE A 46 0.307 1.961 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.318 1.386 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.447 -0.046 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.061 0.007 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.932 1.534 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.228 0.647 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.232 -0.276 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.453 -0.262 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.339 1.192 1.065 1.00 0.00 H new ATOM 668 N ASP A 47 -1.366 4.820 2.416 1.00 0.00 N ATOM 669 CA ASP A 47 -2.399 5.769 2.810 1.00 0.00 C ATOM 670 C ASP A 47 -3.741 5.068 2.992 1.00 0.00 C ATOM 671 O ASP A 47 -3.879 3.881 2.692 1.00 0.00 O ATOM 672 CB ASP A 47 -2.529 6.878 1.764 1.00 0.00 C ATOM 673 CG ASP A 47 -2.681 6.332 0.358 1.00 0.00 C ATOM 674 OD1 ASP A 47 -3.832 6.088 -0.061 1.00 0.00 O ATOM 675 OD2 ASP A 47 -1.651 6.147 -0.323 1.00 0.00 O ATOM 0 H ASP A 47 -1.041 4.925 1.455 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.107 6.210 3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.391 7.501 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.649 7.520 1.808 1.00 0.00 H new ATOM 680 N VAL A 48 -4.729 5.808 3.486 1.00 0.00 N ATOM 681 CA VAL A 48 -6.060 5.256 3.708 1.00 0.00 C ATOM 682 C VAL A 48 -7.143 6.259 3.326 1.00 0.00 C ATOM 683 O VAL A 48 -6.924 7.470 3.367 1.00 0.00 O ATOM 684 CB VAL A 48 -6.259 4.840 5.178 1.00 0.00 C ATOM 685 CG1 VAL A 48 -7.570 4.087 5.348 1.00 0.00 C ATOM 686 CG2 VAL A 48 -5.086 3.997 5.657 1.00 0.00 C ATOM 0 H VAL A 48 -4.632 6.791 3.740 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.145 4.374 3.073 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.303 5.742 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.693 3.802 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.399 4.727 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.559 3.192 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.243 3.712 6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.008 3.100 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.165 4.574 5.574 1.00 0.00 H new ATOM 696 N GLY A 49 -8.311 5.747 2.952 1.00 0.00 N ATOM 697 CA GLY A 49 -9.411 6.612 2.567 1.00 0.00 C ATOM 698 C GLY A 49 -10.764 5.981 2.831 1.00 0.00 C ATOM 699 O GLY A 49 -11.669 6.632 3.355 1.00 0.00 O ATOM 0 H GLY A 49 -8.515 4.749 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.339 7.552 3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.326 6.853 1.507 1.00 0.00 H new ATOM 703 N SER A 50 -10.903 4.710 2.468 1.00 0.00 N ATOM 704 CA SER A 50 -12.155 3.990 2.670 1.00 0.00 C ATOM 705 C SER A 50 -11.900 2.628 3.307 1.00 0.00 C ATOM 706 O SER A 50 -10.753 2.237 3.524 1.00 0.00 O ATOM 707 CB SER A 50 -12.885 3.813 1.337 1.00 0.00 C ATOM 708 OG SER A 50 -13.577 4.994 0.974 1.00 0.00 O ATOM 0 H SER A 50 -10.164 4.158 2.033 1.00 0.00 H new ATOM 0 HA SER A 50 -12.780 4.576 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.168 3.554 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.589 2.984 1.411 1.00 0.00 H new ATOM 0 HG SER A 50 -14.034 4.856 0.118 1.00 0.00 H new ATOM 714 N GLU A 51 -12.978 1.909 3.607 1.00 0.00 N ATOM 715 CA GLU A 51 -12.871 0.591 4.221 1.00 0.00 C ATOM 716 C GLU A 51 -14.245 -0.052 4.374 1.00 0.00 C ATOM 717 O GLU A 51 -14.411 -1.251 4.151 1.00 0.00 O ATOM 718 CB GLU A 51 -12.184 0.694 5.584 1.00 0.00 C ATOM 719 CG GLU A 51 -10.748 0.191 5.581 1.00 0.00 C ATOM 720 CD GLU A 51 -10.642 -1.270 5.969 1.00 0.00 C ATOM 721 OE1 GLU A 51 -11.493 -1.739 6.755 1.00 0.00 O ATOM 722 OE2 GLU A 51 -9.709 -1.947 5.487 1.00 0.00 O ATOM 0 H GLU A 51 -13.935 2.218 3.435 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.268 -0.039 3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.195 1.734 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.758 0.125 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.320 0.332 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.155 0.791 6.272 1.00 0.00 H new ATOM 729 N TRP A 52 -15.228 0.755 4.755 1.00 0.00 N ATOM 730 CA TRP A 52 -16.591 0.269 4.939 1.00 0.00 C ATOM 731 C TRP A 52 -17.524 0.853 3.882 1.00 0.00 C ATOM 732 O TRP A 52 -17.145 1.754 3.135 1.00 0.00 O ATOM 733 CB TRP A 52 -17.105 0.615 6.340 1.00 0.00 C ATOM 734 CG TRP A 52 -16.556 1.900 6.885 1.00 0.00 C ATOM 735 CD1 TRP A 52 -15.668 2.042 7.912 1.00 0.00 C ATOM 736 CD2 TRP A 52 -16.859 3.225 6.431 1.00 0.00 C ATOM 737 NE1 TRP A 52 -15.400 3.372 8.125 1.00 0.00 N ATOM 738 CE2 TRP A 52 -16.120 4.119 7.229 1.00 0.00 C ATOM 739 CE3 TRP A 52 -17.684 3.741 5.429 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -16.181 5.498 7.053 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -17.744 5.111 5.255 1.00 0.00 C ATOM 742 CH2 TRP A 52 -16.996 5.976 6.064 1.00 0.00 C ATOM 0 H TRP A 52 -15.107 1.750 4.943 1.00 0.00 H new ATOM 0 HA TRP A 52 -16.577 -0.815 4.829 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -18.193 0.678 6.313 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -16.850 -0.197 7.021 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -15.239 1.227 8.475 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -14.768 3.743 8.834 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -18.265 3.081 4.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -15.605 6.167 7.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -18.378 5.521 4.483 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -17.064 7.042 5.904 1.00 0.00 H new ATOM 753 N ARG A 53 -18.746 0.331 3.827 1.00 0.00 N ATOM 754 CA ARG A 53 -19.734 0.798 2.861 1.00 0.00 C ATOM 755 C ARG A 53 -19.257 0.558 1.433 1.00 0.00 C ATOM 756 O ARG A 53 -18.401 1.283 0.923 1.00 0.00 O ATOM 757 CB ARG A 53 -20.026 2.285 3.070 1.00 0.00 C ATOM 758 CG ARG A 53 -20.681 2.594 4.406 1.00 0.00 C ATOM 759 CD ARG A 53 -22.197 2.536 4.311 1.00 0.00 C ATOM 760 NE ARG A 53 -22.816 2.250 5.602 1.00 0.00 N ATOM 761 CZ ARG A 53 -22.873 1.036 6.146 1.00 0.00 C ATOM 762 NH1 ARG A 53 -22.347 -0.006 5.514 1.00 0.00 N ATOM 763 NH2 ARG A 53 -23.456 0.863 7.324 1.00 0.00 N ATOM 0 H ARG A 53 -19.075 -0.415 4.440 1.00 0.00 H new ATOM 0 HA ARG A 53 -20.651 0.231 3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -19.093 2.844 2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -20.674 2.636 2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -20.335 1.882 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -20.374 3.584 4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -22.573 3.486 3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -22.486 1.769 3.593 1.00 0.00 H new ATOM 0 HE ARG A 53 -23.230 3.027 6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -21.897 0.121 4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -22.393 -0.934 5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -23.861 1.660 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -23.499 -0.067 7.740 1.00 0.00 H new ATOM 777 N THR A 54 -19.814 -0.464 0.792 1.00 0.00 N ATOM 778 CA THR A 54 -19.446 -0.801 -0.578 1.00 0.00 C ATOM 779 C THR A 54 -20.685 -1.112 -1.412 1.00 0.00 C ATOM 780 O THR A 54 -21.753 -1.398 -0.872 1.00 0.00 O ATOM 781 CB THR A 54 -18.493 -1.997 -0.594 1.00 0.00 C ATOM 782 OG1 THR A 54 -18.073 -2.286 -1.915 1.00 0.00 O ATOM 783 CG2 THR A 54 -19.105 -3.257 -0.019 1.00 0.00 C ATOM 0 H THR A 54 -20.523 -1.074 1.200 1.00 0.00 H new ATOM 0 HA THR A 54 -18.942 0.061 -1.015 1.00 0.00 H new ATOM 0 HB THR A 54 -17.650 -1.704 0.032 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.463 -3.053 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.377 -4.067 -0.060 1.00 0.00 H new ATOM 0 HG22 THR A 54 -19.394 -3.081 1.017 1.00 0.00 H new ATOM 0 HG23 THR A 54 -19.986 -3.531 -0.599 1.00 0.00 H new ATOM 791 N PHE A 55 -20.533 -1.054 -2.731 1.00 0.00 N ATOM 792 CA PHE A 55 -21.639 -1.329 -3.641 1.00 0.00 C ATOM 793 C PHE A 55 -21.200 -2.261 -4.766 1.00 0.00 C ATOM 794 O PHE A 55 -20.510 -1.845 -5.696 1.00 0.00 O ATOM 795 CB PHE A 55 -22.184 -0.024 -4.225 1.00 0.00 C ATOM 796 CG PHE A 55 -23.683 0.017 -4.310 1.00 0.00 C ATOM 797 CD1 PHE A 55 -24.446 0.298 -3.189 1.00 0.00 C ATOM 798 CD2 PHE A 55 -24.328 -0.228 -5.512 1.00 0.00 C ATOM 799 CE1 PHE A 55 -25.825 0.337 -3.265 1.00 0.00 C ATOM 800 CE2 PHE A 55 -25.706 -0.191 -5.594 1.00 0.00 C ATOM 801 CZ PHE A 55 -26.457 0.092 -4.469 1.00 0.00 C ATOM 0 H PHE A 55 -19.655 -0.819 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 55 -22.429 -1.822 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -21.840 0.810 -3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -21.768 0.120 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -23.958 0.489 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -23.746 -0.450 -6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -26.409 0.559 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -26.197 -0.383 -6.537 1.00 0.00 H new ATOM 0 HZ PHE A 55 -27.535 0.122 -4.531 1.00 0.00 H new ATOM 811 N SER A 56 -21.605 -3.523 -4.674 1.00 0.00 N ATOM 812 CA SER A 56 -21.253 -4.514 -5.685 1.00 0.00 C ATOM 813 C SER A 56 -22.482 -5.304 -6.122 1.00 0.00 C ATOM 814 O SER A 56 -23.001 -6.131 -5.371 1.00 0.00 O ATOM 815 CB SER A 56 -20.185 -5.466 -5.145 1.00 0.00 C ATOM 816 OG SER A 56 -19.803 -6.414 -6.127 1.00 0.00 O ATOM 0 H SER A 56 -22.177 -3.884 -3.910 1.00 0.00 H new ATOM 0 HA SER A 56 -20.855 -3.987 -6.552 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.312 -4.896 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.566 -5.983 -4.265 1.00 0.00 H new ATOM 0 HG SER A 56 -19.118 -7.010 -5.758 1.00 0.00 H new ATOM 822 N ASN A 57 -22.942 -5.047 -7.343 1.00 0.00 N ATOM 823 CA ASN A 57 -24.110 -5.735 -7.881 1.00 0.00 C ATOM 824 C ASN A 57 -23.755 -7.154 -8.311 1.00 0.00 C ATOM 825 O ASN A 57 -22.627 -7.424 -8.726 1.00 0.00 O ATOM 826 CB ASN A 57 -24.685 -4.959 -9.067 1.00 0.00 C ATOM 827 CG ASN A 57 -25.129 -3.561 -8.683 1.00 0.00 C ATOM 828 OD1 ASN A 57 -25.038 -3.165 -7.520 1.00 0.00 O ATOM 829 ND2 ASN A 57 -25.615 -2.805 -9.660 1.00 0.00 N ATOM 0 H ASN A 57 -22.523 -4.367 -7.978 1.00 0.00 H new ATOM 0 HA ASN A 57 -24.862 -5.790 -7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -23.934 -4.895 -9.854 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -25.533 -5.506 -9.479 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -25.931 -1.856 -9.461 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -25.672 -3.173 -10.609 1.00 0.00 H new ATOM 836 N ASP A 58 -24.724 -8.057 -8.210 1.00 0.00 N ATOM 837 CA ASP A 58 -24.514 -9.451 -8.589 1.00 0.00 C ATOM 838 C ASP A 58 -24.876 -9.676 -10.053 1.00 0.00 C ATOM 839 O ASP A 58 -25.811 -9.066 -10.573 1.00 0.00 O ATOM 840 CB ASP A 58 -25.345 -10.375 -7.698 1.00 0.00 C ATOM 841 CG ASP A 58 -26.818 -10.014 -7.706 1.00 0.00 C ATOM 842 OD1 ASP A 58 -27.146 -8.851 -7.393 1.00 0.00 O ATOM 843 OD2 ASP A 58 -27.643 -10.896 -8.026 1.00 0.00 O ATOM 0 H ASP A 58 -25.663 -7.850 -7.869 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.458 -9.683 -8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -25.224 -11.405 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -24.967 -10.327 -6.677 1.00 0.00 H new ATOM 848 N LYS A 59 -24.131 -10.556 -10.713 1.00 0.00 N ATOM 849 CA LYS A 59 -24.373 -10.863 -12.118 1.00 0.00 C ATOM 850 C LYS A 59 -24.933 -12.272 -12.279 1.00 0.00 C ATOM 851 O LYS A 59 -25.510 -12.610 -13.312 1.00 0.00 O ATOM 852 CB LYS A 59 -23.081 -10.719 -12.924 1.00 0.00 C ATOM 853 CG LYS A 59 -22.721 -9.278 -13.247 1.00 0.00 C ATOM 854 CD LYS A 59 -21.238 -9.127 -13.547 1.00 0.00 C ATOM 855 CE LYS A 59 -20.669 -7.858 -12.934 1.00 0.00 C ATOM 856 NZ LYS A 59 -19.741 -8.152 -11.807 1.00 0.00 N ATOM 857 OXT LYS A 59 -24.785 -13.215 -11.213 1.00 0.00 O ATOM 0 H LYS A 59 -23.354 -11.070 -10.297 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.109 -10.154 -12.497 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -22.262 -11.173 -12.366 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.180 -11.277 -13.855 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.303 -8.940 -14.105 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -22.990 -8.638 -12.407 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.698 -9.992 -13.161 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.084 -9.111 -14.626 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.141 -7.290 -13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.485 -7.230 -12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -19.375 -7.260 -11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.251 -8.672 -11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -18.948 -8.730 -12.152 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.738 -16.003 -3.665 1.00 0.00 ZN