USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 399 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 52 HIS HE2 : A 52 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD Set 1.1: A 22 LYS NZ :NH3+ -153:sc= 0.00887 (180deg=0) USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -0:sc= 0.833 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -150:sc= -0.0285 (180deg=-0.469) USER MOD Single : A 31 THR OG1 : rot 170:sc= -2.52 USER MOD Single : A 40 THR OG1 : rot -26:sc= 0.293 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 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -5.16! K(o=-5.2!,f=-0.99) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -20.129 1.920 12.122 1.00 0.00 N ATOM 2 CA THR A 14 -19.631 2.850 11.069 1.00 0.00 C ATOM 3 C THR A 14 -18.142 3.122 11.292 1.00 0.00 C ATOM 4 O THR A 14 -17.729 4.248 11.484 1.00 0.00 O ATOM 5 CB THR A 14 -20.408 4.168 11.143 1.00 0.00 C ATOM 6 OG1 THR A 14 -21.327 4.111 12.225 1.00 0.00 O ATOM 7 CG2 THR A 14 -21.169 4.390 9.836 1.00 0.00 C ATOM 0 HA THR A 14 -19.775 2.398 10.087 1.00 0.00 H new ATOM 0 HB THR A 14 -19.712 4.993 11.298 1.00 0.00 H new ATOM 0 HG1 THR A 14 -21.255 3.241 12.670 1.00 0.00 H new ATOM 0 HG21 THR A 14 -21.721 5.328 9.891 1.00 0.00 H new ATOM 0 HG22 THR A 14 -20.463 4.433 9.007 1.00 0.00 H new ATOM 0 HG23 THR A 14 -21.866 3.568 9.677 1.00 0.00 H new ATOM 17 N LEU A 15 -17.332 2.099 11.269 1.00 0.00 N ATOM 18 CA LEU A 15 -15.872 2.301 11.481 1.00 0.00 C ATOM 19 C LEU A 15 -15.303 3.151 10.336 1.00 0.00 C ATOM 20 O LEU A 15 -15.599 2.904 9.184 1.00 0.00 O ATOM 21 CB LEU A 15 -15.168 0.943 11.502 1.00 0.00 C ATOM 22 CG LEU A 15 -15.458 0.195 10.200 1.00 0.00 C ATOM 23 CD1 LEU A 15 -14.146 -0.071 9.460 1.00 0.00 C ATOM 24 CD2 LEU A 15 -16.140 -1.136 10.520 1.00 0.00 C ATOM 0 H LEU A 15 -17.619 1.133 11.113 1.00 0.00 H new ATOM 0 HA LEU A 15 -15.709 2.811 12.430 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -14.093 1.081 11.622 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -15.512 0.357 12.354 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.113 0.799 9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.353 -0.604 8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.658 0.877 9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.491 -0.675 10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.348 -1.671 9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.484 -1.739 11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.075 -0.948 11.048 1.00 0.00 H new ATOM 36 N PRO A 16 -14.503 4.128 10.687 1.00 0.00 N ATOM 37 CA PRO A 16 -13.880 5.031 9.705 1.00 0.00 C ATOM 38 C PRO A 16 -12.675 4.354 9.044 1.00 0.00 C ATOM 39 O PRO A 16 -12.005 3.536 9.642 1.00 0.00 O ATOM 40 CB PRO A 16 -13.434 6.227 10.550 1.00 0.00 C ATOM 41 CG PRO A 16 -13.304 5.710 12.003 1.00 0.00 C ATOM 42 CD PRO A 16 -14.148 4.425 12.090 1.00 0.00 C ATOM 0 HA PRO A 16 -14.553 5.313 8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.484 6.623 10.192 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -14.160 7.038 10.490 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.262 5.507 12.250 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.660 6.456 12.713 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.584 3.608 12.539 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.037 4.573 12.703 1.00 0.00 H new ATOM 50 N ARG A 17 -12.396 4.690 7.815 1.00 0.00 N ATOM 51 CA ARG A 17 -11.236 4.068 7.118 1.00 0.00 C ATOM 52 C ARG A 17 -11.028 4.751 5.765 1.00 0.00 C ATOM 53 O ARG A 17 -10.631 4.130 4.799 1.00 0.00 O ATOM 54 CB ARG A 17 -11.509 2.579 6.899 1.00 0.00 C ATOM 55 CG ARG A 17 -12.973 2.385 6.501 1.00 0.00 C ATOM 56 CD ARG A 17 -13.055 1.432 5.308 1.00 0.00 C ATOM 57 NE ARG A 17 -12.473 2.089 4.104 1.00 0.00 N ATOM 58 CZ ARG A 17 -12.195 1.381 3.044 1.00 0.00 C ATOM 59 NH1 ARG A 17 -11.705 0.178 3.173 1.00 0.00 N ATOM 60 NH2 ARG A 17 -12.407 1.875 1.855 1.00 0.00 N ATOM 0 H ARG A 17 -12.921 5.368 7.263 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.341 4.187 7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.854 2.188 6.120 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.291 2.020 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.539 1.983 7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.422 3.345 6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.516 0.510 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.093 1.158 5.119 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.292 3.093 4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.540 -0.208 4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.488 -0.376 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.790 2.815 1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.190 1.321 1.026 1.00 0.00 H new ATOM 74 N GLY A 18 -11.294 6.025 5.690 1.00 0.00 N ATOM 75 CA GLY A 18 -11.112 6.750 4.401 1.00 0.00 C ATOM 76 C GLY A 18 -10.192 7.952 4.620 1.00 0.00 C ATOM 77 O GLY A 18 -10.181 8.888 3.846 1.00 0.00 O ATOM 0 H GLY A 18 -11.630 6.596 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.685 6.082 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.077 7.082 4.018 1.00 0.00 H new ATOM 81 N SER A 19 -9.418 7.932 5.670 1.00 0.00 N ATOM 82 CA SER A 19 -8.501 9.070 5.942 1.00 0.00 C ATOM 83 C SER A 19 -7.051 8.590 5.853 1.00 0.00 C ATOM 84 O SER A 19 -6.155 9.346 5.532 1.00 0.00 O ATOM 85 CB SER A 19 -8.771 9.618 7.344 1.00 0.00 C ATOM 86 OG SER A 19 -10.129 10.029 7.433 1.00 0.00 O ATOM 0 H SER A 19 -9.382 7.174 6.352 1.00 0.00 H new ATOM 0 HA SER A 19 -8.669 9.856 5.206 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.560 8.854 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.110 10.459 7.552 1.00 0.00 H new ATOM 0 HG SER A 19 -10.307 10.379 8.331 1.00 0.00 H new ATOM 92 N ILE A 20 -6.812 7.338 6.136 1.00 0.00 N ATOM 93 CA ILE A 20 -5.419 6.810 6.070 1.00 0.00 C ATOM 94 C ILE A 20 -4.979 6.714 4.612 1.00 0.00 C ATOM 95 O ILE A 20 -4.038 7.358 4.191 1.00 0.00 O ATOM 96 CB ILE A 20 -5.366 5.419 6.704 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.285 5.377 7.929 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.931 5.111 7.134 1.00 0.00 C ATOM 99 CD1 ILE A 20 -6.047 6.619 8.789 1.00 0.00 C ATOM 0 H ILE A 20 -7.521 6.658 6.410 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.754 7.483 6.611 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.697 4.677 5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.327 5.335 7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.091 4.476 8.511 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.891 4.120 7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.276 5.139 6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.601 5.854 7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.701 6.589 9.660 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.007 6.641 9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.263 7.513 8.204 1.00 0.00 H new ATOM 111 N ASP A 21 -5.650 5.912 3.840 1.00 0.00 N ATOM 112 CA ASP A 21 -5.275 5.767 2.406 1.00 0.00 C ATOM 113 C ASP A 21 -5.535 7.087 1.678 1.00 0.00 C ATOM 114 O ASP A 21 -5.077 7.298 0.571 1.00 0.00 O ATOM 115 CB ASP A 21 -6.110 4.657 1.766 1.00 0.00 C ATOM 116 CG ASP A 21 -5.362 3.327 1.879 1.00 0.00 C ATOM 117 OD1 ASP A 21 -4.176 3.360 2.164 1.00 0.00 O ATOM 118 OD2 ASP A 21 -5.987 2.299 1.677 1.00 0.00 O ATOM 0 H ASP A 21 -6.445 5.348 4.139 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.218 5.511 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.079 4.585 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.303 4.890 0.719 1.00 0.00 H new ATOM 123 N LYS A 22 -6.265 7.979 2.290 1.00 0.00 N ATOM 124 CA LYS A 22 -6.551 9.285 1.632 1.00 0.00 C ATOM 125 C LYS A 22 -5.300 10.166 1.682 1.00 0.00 C ATOM 126 O LYS A 22 -5.286 11.269 1.172 1.00 0.00 O ATOM 127 CB LYS A 22 -7.697 9.986 2.365 1.00 0.00 C ATOM 128 CG LYS A 22 -8.531 10.785 1.361 1.00 0.00 C ATOM 129 CD LYS A 22 -9.620 11.562 2.104 1.00 0.00 C ATOM 130 CE LYS A 22 -9.469 13.056 1.811 1.00 0.00 C ATOM 131 NZ LYS A 22 -9.443 13.813 3.094 1.00 0.00 N ATOM 0 H LYS A 22 -6.675 7.860 3.216 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.835 9.114 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.323 9.251 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.300 10.649 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.892 11.473 0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.983 10.113 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.606 11.217 1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.544 11.381 3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.552 13.237 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.295 13.401 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.794 14.779 2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.049 13.335 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.468 13.854 3.453 1.00 0.00 H new ATOM 145 N TYR A 23 -4.248 9.690 2.291 1.00 0.00 N ATOM 146 CA TYR A 23 -3.002 10.501 2.369 1.00 0.00 C ATOM 147 C TYR A 23 -1.793 9.574 2.496 1.00 0.00 C ATOM 148 O TYR A 23 -0.898 9.808 3.283 1.00 0.00 O ATOM 149 CB TYR A 23 -3.067 11.420 3.591 1.00 0.00 C ATOM 150 CG TYR A 23 -3.972 12.589 3.292 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.813 13.310 2.102 1.00 0.00 C ATOM 152 CD2 TYR A 23 -4.972 12.951 4.201 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.653 14.394 1.824 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.812 14.034 3.923 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.653 14.756 2.733 1.00 0.00 C ATOM 156 OH TYR A 23 -6.482 15.824 2.460 1.00 0.00 O ATOM 0 H TYR A 23 -4.199 8.774 2.738 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.905 11.102 1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.440 10.869 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.069 11.775 3.846 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.042 13.029 1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.095 12.394 5.118 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.529 14.951 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.583 14.314 4.626 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.121 15.938 3.194 1.00 0.00 H new ATOM 166 N VAL A 24 -1.759 8.518 1.728 1.00 0.00 N ATOM 167 CA VAL A 24 -0.607 7.578 1.811 1.00 0.00 C ATOM 168 C VAL A 24 0.032 7.419 0.429 1.00 0.00 C ATOM 169 O VAL A 24 -0.554 6.856 -0.475 1.00 0.00 O ATOM 170 CB VAL A 24 -1.096 6.214 2.300 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.042 5.199 2.201 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.552 6.330 3.756 1.00 0.00 C ATOM 0 H VAL A 24 -2.478 8.267 1.049 1.00 0.00 H new ATOM 0 HA VAL A 24 0.131 7.976 2.508 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.931 5.883 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.306 4.227 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.368 5.117 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.878 5.528 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.901 5.359 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.717 6.660 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.364 7.054 3.826 1.00 0.00 H new ATOM 182 N LYS A 25 1.233 7.903 0.260 1.00 0.00 N ATOM 183 CA LYS A 25 1.912 7.771 -1.059 1.00 0.00 C ATOM 184 C LYS A 25 2.837 6.553 -1.026 1.00 0.00 C ATOM 185 O LYS A 25 4.043 6.678 -0.955 1.00 0.00 O ATOM 186 CB LYS A 25 2.735 9.031 -1.339 1.00 0.00 C ATOM 187 CG LYS A 25 2.939 9.186 -2.848 1.00 0.00 C ATOM 188 CD LYS A 25 3.657 10.506 -3.135 1.00 0.00 C ATOM 189 CE LYS A 25 4.066 10.557 -4.608 1.00 0.00 C ATOM 190 NZ LYS A 25 4.095 11.974 -5.068 1.00 0.00 N ATOM 0 H LYS A 25 1.773 8.384 0.979 1.00 0.00 H new ATOM 0 HA LYS A 25 1.167 7.646 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.225 9.907 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.700 8.967 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.524 8.351 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.977 9.165 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.004 11.346 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.537 10.599 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.047 10.101 -4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.363 9.982 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.373 12.008 -6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.150 12.395 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.782 12.510 -4.500 1.00 0.00 H new ATOM 204 N GLU A 26 2.279 5.373 -1.067 1.00 0.00 N ATOM 205 CA GLU A 26 3.123 4.146 -1.029 1.00 0.00 C ATOM 206 C GLU A 26 3.886 4.001 -2.345 1.00 0.00 C ATOM 207 O GLU A 26 3.308 3.765 -3.388 1.00 0.00 O ATOM 208 CB GLU A 26 2.231 2.920 -0.822 1.00 0.00 C ATOM 209 CG GLU A 26 1.303 2.755 -2.027 1.00 0.00 C ATOM 210 CD GLU A 26 1.861 1.679 -2.961 1.00 0.00 C ATOM 211 OE1 GLU A 26 2.673 0.890 -2.504 1.00 0.00 O ATOM 212 OE2 GLU A 26 1.468 1.662 -4.115 1.00 0.00 O ATOM 0 H GLU A 26 1.274 5.207 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 26 3.834 4.225 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.844 2.028 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.644 3.034 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.303 2.478 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.211 3.701 -2.560 1.00 0.00 H new ATOM 219 N MET A 27 5.183 4.132 -2.305 1.00 0.00 N ATOM 220 CA MET A 27 5.986 3.991 -3.549 1.00 0.00 C ATOM 221 C MET A 27 6.485 2.544 -3.654 1.00 0.00 C ATOM 222 O MET A 27 7.257 2.101 -2.824 1.00 0.00 O ATOM 223 CB MET A 27 7.183 4.944 -3.490 1.00 0.00 C ATOM 224 CG MET A 27 6.683 6.381 -3.335 1.00 0.00 C ATOM 225 SD MET A 27 5.456 6.737 -4.618 1.00 0.00 S ATOM 226 CE MET A 27 6.511 7.776 -5.657 1.00 0.00 C ATOM 0 H MET A 27 5.721 4.331 -1.462 1.00 0.00 H new ATOM 0 HA MET A 27 5.375 4.234 -4.418 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.830 4.681 -2.654 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.780 4.851 -4.397 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.243 6.519 -2.348 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.518 7.078 -3.412 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.946 8.114 -6.526 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.848 8.640 -5.084 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.375 7.201 -5.988 1.00 0.00 H new ATOM 236 N PRO A 28 6.030 1.846 -4.667 1.00 0.00 N ATOM 237 CA PRO A 28 6.410 0.440 -4.887 1.00 0.00 C ATOM 238 C PRO A 28 7.861 0.349 -5.355 1.00 0.00 C ATOM 239 O PRO A 28 8.406 -0.725 -5.520 1.00 0.00 O ATOM 240 CB PRO A 28 5.433 -0.040 -5.965 1.00 0.00 C ATOM 241 CG PRO A 28 4.926 1.230 -6.685 1.00 0.00 C ATOM 242 CD PRO A 28 5.118 2.394 -5.695 1.00 0.00 C ATOM 0 HA PRO A 28 6.353 -0.169 -3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.927 -0.714 -6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.605 -0.593 -5.521 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.485 1.405 -7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.878 1.126 -6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.548 3.267 -6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.169 2.708 -5.260 1.00 0.00 H new ATOM 250 N ASP A 29 8.498 1.468 -5.552 1.00 0.00 N ATOM 251 CA ASP A 29 9.918 1.446 -5.985 1.00 0.00 C ATOM 252 C ASP A 29 10.802 1.290 -4.748 1.00 0.00 C ATOM 253 O ASP A 29 11.855 0.695 -4.815 1.00 0.00 O ATOM 254 CB ASP A 29 10.258 2.755 -6.703 1.00 0.00 C ATOM 255 CG ASP A 29 10.332 3.895 -5.685 1.00 0.00 C ATOM 256 OD1 ASP A 29 11.283 3.921 -4.922 1.00 0.00 O ATOM 257 OD2 ASP A 29 9.436 4.724 -5.688 1.00 0.00 O ATOM 0 H ASP A 29 8.095 2.397 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 29 10.087 0.615 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.210 2.658 -7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.502 2.975 -7.456 1.00 0.00 H new ATOM 262 N LYS A 30 10.346 1.813 -3.626 1.00 0.00 N ATOM 263 CA LYS A 30 11.087 1.730 -2.332 1.00 0.00 C ATOM 264 C LYS A 30 10.999 3.086 -1.634 1.00 0.00 C ATOM 265 O LYS A 30 12.002 3.708 -1.342 1.00 0.00 O ATOM 266 CB LYS A 30 12.566 1.376 -2.526 1.00 0.00 C ATOM 267 CG LYS A 30 12.746 -0.145 -2.469 1.00 0.00 C ATOM 268 CD LYS A 30 14.058 -0.474 -1.755 1.00 0.00 C ATOM 269 CE LYS A 30 14.881 -1.431 -2.621 1.00 0.00 C ATOM 270 NZ LYS A 30 14.099 -2.677 -2.862 1.00 0.00 N ATOM 0 H LYS A 30 9.458 2.310 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 30 10.631 0.939 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.918 1.758 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.168 1.852 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.908 -0.602 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.754 -0.560 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.622 0.440 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.853 -0.928 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.131 -0.956 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.822 -1.669 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.751 -3.480 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.469 -2.854 -2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.531 -2.568 -3.726 1.00 0.00 H new ATOM 284 N THR A 31 9.811 3.560 -1.373 1.00 0.00 N ATOM 285 CA THR A 31 9.681 4.887 -0.704 1.00 0.00 C ATOM 286 C THR A 31 8.251 5.072 -0.191 1.00 0.00 C ATOM 287 O THR A 31 7.409 4.210 -0.339 1.00 0.00 O ATOM 288 CB THR A 31 10.023 6.014 -1.694 1.00 0.00 C ATOM 289 OG1 THR A 31 8.941 6.933 -1.769 1.00 0.00 O ATOM 290 CG2 THR A 31 10.294 5.435 -3.085 1.00 0.00 C ATOM 0 H THR A 31 8.932 3.091 -1.591 1.00 0.00 H new ATOM 0 HA THR A 31 10.375 4.927 0.136 1.00 0.00 H new ATOM 0 HB THR A 31 10.917 6.529 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.221 7.727 -2.270 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.535 6.244 -3.775 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.133 4.741 -3.033 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.408 4.908 -3.439 1.00 0.00 H new ATOM 298 N PHE A 32 7.978 6.198 0.408 1.00 0.00 N ATOM 299 CA PHE A 32 6.610 6.465 0.935 1.00 0.00 C ATOM 300 C PHE A 32 6.464 7.967 1.181 1.00 0.00 C ATOM 301 O PHE A 32 7.411 8.636 1.545 1.00 0.00 O ATOM 302 CB PHE A 32 6.408 5.710 2.252 1.00 0.00 C ATOM 303 CG PHE A 32 5.525 4.508 2.019 1.00 0.00 C ATOM 304 CD1 PHE A 32 6.095 3.283 1.655 1.00 0.00 C ATOM 305 CD2 PHE A 32 4.137 4.615 2.168 1.00 0.00 C ATOM 306 CE1 PHE A 32 5.280 2.166 1.440 1.00 0.00 C ATOM 307 CE2 PHE A 32 3.321 3.498 1.953 1.00 0.00 C ATOM 308 CZ PHE A 32 3.893 2.273 1.589 1.00 0.00 C ATOM 0 H PHE A 32 8.650 6.951 0.556 1.00 0.00 H new ATOM 0 HA PHE A 32 5.864 6.130 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.371 5.394 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.955 6.368 2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.166 3.199 1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.696 5.560 2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.722 1.221 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.250 3.581 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.264 1.411 1.423 1.00 0.00 H new ATOM 318 N GLU A 33 5.294 8.509 0.982 1.00 0.00 N ATOM 319 CA GLU A 33 5.119 9.972 1.204 1.00 0.00 C ATOM 320 C GLU A 33 3.729 10.261 1.773 1.00 0.00 C ATOM 321 O GLU A 33 2.751 10.322 1.053 1.00 0.00 O ATOM 322 CB GLU A 33 5.288 10.711 -0.125 1.00 0.00 C ATOM 323 CG GLU A 33 5.821 12.121 0.137 1.00 0.00 C ATOM 324 CD GLU A 33 5.322 13.068 -0.954 1.00 0.00 C ATOM 325 OE1 GLU A 33 4.555 12.623 -1.793 1.00 0.00 O ATOM 326 OE2 GLU A 33 5.713 14.223 -0.934 1.00 0.00 O ATOM 0 H GLU A 33 4.459 8.008 0.678 1.00 0.00 H new ATOM 0 HA GLU A 33 5.870 10.314 1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.976 10.165 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.333 10.763 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.490 12.470 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.911 12.112 0.154 1.00 0.00 H new ATOM 333 N CYS A 34 3.637 10.464 3.058 1.00 0.00 N ATOM 334 CA CYS A 34 2.318 10.777 3.676 1.00 0.00 C ATOM 335 C CYS A 34 1.756 12.025 2.989 1.00 0.00 C ATOM 336 O CYS A 34 2.243 13.122 3.180 1.00 0.00 O ATOM 337 CB CYS A 34 2.532 11.042 5.170 1.00 0.00 C ATOM 338 SG CYS A 34 0.946 11.186 6.032 1.00 0.00 S ATOM 0 H CYS A 34 4.421 10.426 3.709 1.00 0.00 H new ATOM 0 HA CYS A 34 1.618 9.950 3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.116 10.232 5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.107 11.958 5.303 1.00 0.00 H new ATOM 343 N LEU A 35 0.753 11.866 2.164 1.00 0.00 N ATOM 344 CA LEU A 35 0.187 13.043 1.440 1.00 0.00 C ATOM 345 C LEU A 35 -0.652 13.916 2.378 1.00 0.00 C ATOM 346 O LEU A 35 -1.288 14.857 1.947 1.00 0.00 O ATOM 347 CB LEU A 35 -0.690 12.558 0.282 1.00 0.00 C ATOM 348 CG LEU A 35 0.090 11.554 -0.570 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.592 10.187 -0.500 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.118 12.034 -2.023 1.00 0.00 C ATOM 0 H LEU A 35 0.302 10.974 1.961 1.00 0.00 H new ATOM 0 HA LEU A 35 1.015 13.641 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.597 12.094 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.002 13.404 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 35 1.109 11.472 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.037 9.472 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.615 9.844 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.611 10.269 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.673 11.320 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.902 12.115 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.603 13.009 -2.075 1.00 0.00 H new ATOM 362 N PHE A 36 -0.663 13.630 3.651 1.00 0.00 N ATOM 363 CA PHE A 36 -1.466 14.472 4.581 1.00 0.00 C ATOM 364 C PHE A 36 -0.964 15.917 4.502 1.00 0.00 C ATOM 365 O PHE A 36 0.225 16.150 4.405 1.00 0.00 O ATOM 366 CB PHE A 36 -1.295 13.953 6.008 1.00 0.00 C ATOM 367 CG PHE A 36 -2.149 14.764 6.951 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.729 16.032 7.374 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.361 14.241 7.409 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.524 16.774 8.256 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.156 14.982 8.290 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.738 16.248 8.715 1.00 0.00 C ATOM 0 H PHE A 36 -0.156 12.858 4.084 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.519 14.431 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.578 12.902 6.059 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.248 14.016 6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.792 16.437 7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.684 13.264 7.083 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.201 17.752 8.582 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.093 14.577 8.642 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.351 16.819 9.396 1.00 0.00 H new ATOM 382 N PRO A 37 -1.883 16.849 4.550 1.00 0.00 N ATOM 383 CA PRO A 37 -1.550 18.281 4.486 1.00 0.00 C ATOM 384 C PRO A 37 -0.945 18.741 5.810 1.00 0.00 C ATOM 385 O PRO A 37 -1.588 18.731 6.841 1.00 0.00 O ATOM 386 CB PRO A 37 -2.896 18.957 4.215 1.00 0.00 C ATOM 387 CG PRO A 37 -3.982 17.962 4.686 1.00 0.00 C ATOM 388 CD PRO A 37 -3.328 16.567 4.681 1.00 0.00 C ATOM 0 HA PRO A 37 -0.811 18.521 3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.973 19.901 4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.011 19.185 3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.338 18.220 5.683 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.846 17.988 4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.546 16.021 5.599 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.692 15.958 3.853 1.00 0.00 H new ATOM 396 N GLY A 38 0.298 19.127 5.789 1.00 0.00 N ATOM 397 CA GLY A 38 0.968 19.571 7.039 1.00 0.00 C ATOM 398 C GLY A 38 2.012 18.525 7.425 1.00 0.00 C ATOM 399 O GLY A 38 2.939 18.796 8.161 1.00 0.00 O ATOM 0 H GLY A 38 0.882 19.154 4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.441 20.542 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.237 19.691 7.839 1.00 0.00 H new ATOM 403 N CYS A 39 1.866 17.328 6.922 1.00 0.00 N ATOM 404 CA CYS A 39 2.846 16.255 7.247 1.00 0.00 C ATOM 405 C CYS A 39 4.211 16.606 6.649 1.00 0.00 C ATOM 406 O CYS A 39 4.326 17.469 5.802 1.00 0.00 O ATOM 407 CB CYS A 39 2.359 14.936 6.649 1.00 0.00 C ATOM 408 SG CYS A 39 3.338 13.568 7.314 1.00 0.00 S ATOM 0 H CYS A 39 1.108 17.048 6.299 1.00 0.00 H new ATOM 0 HA CYS A 39 2.938 16.161 8.329 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.304 14.788 6.881 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.446 14.964 5.563 1.00 0.00 H new ATOM 413 N THR A 40 5.247 15.938 7.081 1.00 0.00 N ATOM 414 CA THR A 40 6.603 16.225 6.535 1.00 0.00 C ATOM 415 C THR A 40 7.517 15.026 6.793 1.00 0.00 C ATOM 416 O THR A 40 8.694 15.174 7.059 1.00 0.00 O ATOM 417 CB THR A 40 7.181 17.464 7.225 1.00 0.00 C ATOM 418 OG1 THR A 40 6.230 18.518 7.174 1.00 0.00 O ATOM 419 CG2 THR A 40 8.464 17.896 6.515 1.00 0.00 C ATOM 0 H THR A 40 5.212 15.205 7.790 1.00 0.00 H new ATOM 0 HA THR A 40 6.533 16.407 5.463 1.00 0.00 H new ATOM 0 HB THR A 40 7.408 17.228 8.265 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.643 18.391 6.400 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.873 18.778 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.193 17.086 6.556 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.242 18.132 5.474 1.00 0.00 H new ATOM 427 N LYS A 41 6.985 13.834 6.720 1.00 0.00 N ATOM 428 CA LYS A 41 7.826 12.627 6.967 1.00 0.00 C ATOM 429 C LYS A 41 7.641 11.624 5.825 1.00 0.00 C ATOM 430 O LYS A 41 6.535 11.269 5.468 1.00 0.00 O ATOM 431 CB LYS A 41 7.406 11.977 8.288 1.00 0.00 C ATOM 432 CG LYS A 41 8.527 12.138 9.316 1.00 0.00 C ATOM 433 CD LYS A 41 7.921 12.346 10.705 1.00 0.00 C ATOM 434 CE LYS A 41 7.562 13.822 10.889 1.00 0.00 C ATOM 435 NZ LYS A 41 6.643 13.968 12.054 1.00 0.00 N ATOM 0 H LYS A 41 6.007 13.645 6.501 1.00 0.00 H new ATOM 0 HA LYS A 41 8.874 12.923 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.490 12.439 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.190 10.920 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.165 11.254 9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.158 12.987 9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.031 11.727 10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.629 12.034 11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.466 14.410 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.087 14.207 9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.399 14.971 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.776 13.419 11.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.112 13.616 12.913 1.00 0.00 H new ATOM 449 N THR A 42 8.720 11.155 5.256 1.00 0.00 N ATOM 450 CA THR A 42 8.613 10.167 4.144 1.00 0.00 C ATOM 451 C THR A 42 9.337 8.879 4.544 1.00 0.00 C ATOM 452 O THR A 42 10.336 8.909 5.235 1.00 0.00 O ATOM 453 CB THR A 42 9.254 10.745 2.881 1.00 0.00 C ATOM 454 OG1 THR A 42 10.659 10.537 2.927 1.00 0.00 O ATOM 455 CG2 THR A 42 8.957 12.242 2.795 1.00 0.00 C ATOM 0 H THR A 42 9.672 11.414 5.514 1.00 0.00 H new ATOM 0 HA THR A 42 7.563 9.950 3.946 1.00 0.00 H new ATOM 0 HB THR A 42 8.843 10.247 2.003 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.071 10.905 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.414 12.653 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.879 12.397 2.758 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.366 12.745 3.671 1.00 0.00 H new ATOM 463 N PHE A 43 8.837 7.746 4.129 1.00 0.00 N ATOM 464 CA PHE A 43 9.498 6.463 4.505 1.00 0.00 C ATOM 465 C PHE A 43 9.651 5.578 3.267 1.00 0.00 C ATOM 466 O PHE A 43 9.685 6.053 2.150 1.00 0.00 O ATOM 467 CB PHE A 43 8.644 5.732 5.550 1.00 0.00 C ATOM 468 CG PHE A 43 7.799 6.727 6.315 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.729 7.370 5.679 1.00 0.00 C ATOM 470 CD2 PHE A 43 8.083 7.004 7.657 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.944 8.290 6.385 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.298 7.924 8.363 1.00 0.00 C ATOM 473 CZ PHE A 43 6.229 8.567 7.727 1.00 0.00 C ATOM 0 H PHE A 43 8.003 7.653 3.549 1.00 0.00 H new ATOM 0 HA PHE A 43 10.482 6.676 4.922 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.003 4.999 5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.287 5.183 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.509 7.156 4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.907 6.508 8.148 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.119 8.785 5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.517 8.138 9.399 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.624 9.277 8.272 1.00 0.00 H new ATOM 483 N LYS A 44 9.742 4.289 3.457 1.00 0.00 N ATOM 484 CA LYS A 44 9.892 3.367 2.295 1.00 0.00 C ATOM 485 C LYS A 44 9.004 2.138 2.508 1.00 0.00 C ATOM 486 O LYS A 44 8.160 2.120 3.380 1.00 0.00 O ATOM 487 CB LYS A 44 11.353 2.927 2.173 1.00 0.00 C ATOM 488 CG LYS A 44 12.247 4.160 2.010 1.00 0.00 C ATOM 489 CD LYS A 44 13.367 4.120 3.052 1.00 0.00 C ATOM 490 CE LYS A 44 14.416 5.184 2.720 1.00 0.00 C ATOM 491 NZ LYS A 44 15.464 4.593 1.841 1.00 0.00 N ATOM 0 H LYS A 44 9.719 3.834 4.370 1.00 0.00 H new ATOM 0 HA LYS A 44 9.594 3.881 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.649 2.364 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.473 2.262 1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.671 4.185 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.657 5.069 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.958 4.296 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.828 3.132 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.945 6.031 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.867 5.563 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.177 5.316 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.921 3.798 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.027 4.252 0.961 1.00 0.00 H new ATOM 505 N ARG A 45 9.186 1.115 1.717 1.00 0.00 N ATOM 506 CA ARG A 45 8.349 -0.109 1.876 1.00 0.00 C ATOM 507 C ARG A 45 8.213 -0.445 3.362 1.00 0.00 C ATOM 508 O ARG A 45 9.058 -1.100 3.941 1.00 0.00 O ATOM 509 CB ARG A 45 9.009 -1.281 1.146 1.00 0.00 C ATOM 510 CG ARG A 45 7.927 -2.204 0.579 1.00 0.00 C ATOM 511 CD ARG A 45 8.519 -3.594 0.335 1.00 0.00 C ATOM 512 NE ARG A 45 7.491 -4.631 0.634 1.00 0.00 N ATOM 513 CZ ARG A 45 7.847 -5.879 0.773 1.00 0.00 C ATOM 514 NH1 ARG A 45 8.369 -6.286 1.898 1.00 0.00 N ATOM 515 NH2 ARG A 45 7.680 -6.719 -0.210 1.00 0.00 N ATOM 0 H ARG A 45 9.877 1.074 0.968 1.00 0.00 H new ATOM 0 HA ARG A 45 7.361 0.071 1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.644 -0.911 0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.652 -1.834 1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.090 -2.270 1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.536 -1.795 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.851 -3.683 -0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.396 -3.743 0.965 1.00 0.00 H new ATOM 0 HE ARG A 45 6.511 -4.366 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.498 -5.629 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.648 -7.261 2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.271 -6.401 -1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.959 -7.694 -0.100 1.00 0.00 H new ATOM 529 N ARG A 46 7.155 -0.002 3.985 1.00 0.00 N ATOM 530 CA ARG A 46 6.967 -0.295 5.433 1.00 0.00 C ATOM 531 C ARG A 46 5.516 -0.014 5.825 1.00 0.00 C ATOM 532 O ARG A 46 4.883 0.882 5.304 1.00 0.00 O ATOM 533 CB ARG A 46 7.901 0.592 6.258 1.00 0.00 C ATOM 534 CG ARG A 46 9.162 -0.195 6.623 1.00 0.00 C ATOM 535 CD ARG A 46 9.501 0.042 8.096 1.00 0.00 C ATOM 536 NE ARG A 46 10.960 0.315 8.232 1.00 0.00 N ATOM 537 CZ ARG A 46 11.408 1.537 8.129 1.00 0.00 C ATOM 538 NH1 ARG A 46 10.861 2.493 8.828 1.00 0.00 N ATOM 539 NH2 ARG A 46 12.403 1.802 7.327 1.00 0.00 N ATOM 0 H ARG A 46 6.414 0.550 3.554 1.00 0.00 H new ATOM 0 HA ARG A 46 7.198 -1.343 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.168 1.484 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.395 0.929 7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.006 -1.258 6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.994 0.117 5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.925 0.883 8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.227 -0.831 8.688 1.00 0.00 H new ATOM 0 HE ARG A 46 11.608 -0.453 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.084 2.286 9.455 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.211 3.448 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.831 1.054 6.781 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.753 2.757 7.247 1.00 0.00 H new ATOM 553 N TYR A 47 4.985 -0.774 6.743 1.00 0.00 N ATOM 554 CA TYR A 47 3.573 -0.555 7.172 1.00 0.00 C ATOM 555 C TYR A 47 3.577 0.137 8.528 1.00 0.00 C ATOM 556 O TYR A 47 2.644 0.019 9.296 1.00 0.00 O ATOM 557 CB TYR A 47 2.836 -1.892 7.322 1.00 0.00 C ATOM 558 CG TYR A 47 3.772 -3.041 7.039 1.00 0.00 C ATOM 559 CD1 TYR A 47 3.947 -3.489 5.729 1.00 0.00 C ATOM 560 CD2 TYR A 47 4.463 -3.653 8.092 1.00 0.00 C ATOM 561 CE1 TYR A 47 4.816 -4.554 5.463 1.00 0.00 C ATOM 562 CE2 TYR A 47 5.332 -4.719 7.829 1.00 0.00 C ATOM 563 CZ TYR A 47 5.509 -5.170 6.514 1.00 0.00 C ATOM 564 OH TYR A 47 6.364 -6.222 6.254 1.00 0.00 O ATOM 0 H TYR A 47 5.468 -1.538 7.216 1.00 0.00 H new ATOM 0 HA TYR A 47 3.069 0.051 6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.434 -1.982 8.331 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.989 -1.927 6.637 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.412 -3.014 4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.326 -3.304 9.105 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.952 -4.900 4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.866 -5.193 8.639 1.00 0.00 H new ATOM 0 HH TYR A 47 6.765 -6.533 7.093 1.00 0.00 H new ATOM 574 N ASN A 48 4.620 0.847 8.839 1.00 0.00 N ATOM 575 CA ASN A 48 4.671 1.523 10.155 1.00 0.00 C ATOM 576 C ASN A 48 4.245 2.981 9.990 1.00 0.00 C ATOM 577 O ASN A 48 3.764 3.611 10.913 1.00 0.00 O ATOM 578 CB ASN A 48 6.094 1.462 10.712 1.00 0.00 C ATOM 579 CG ASN A 48 6.142 0.483 11.886 1.00 0.00 C ATOM 580 OD1 ASN A 48 6.091 0.887 13.031 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.239 -0.796 11.649 1.00 0.00 N ATOM 0 H ASN A 48 5.435 0.987 8.241 1.00 0.00 H new ATOM 0 HA ASN A 48 3.995 1.022 10.848 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.787 1.146 9.933 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.411 2.453 11.038 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.272 -1.457 12.425 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.282 -1.135 10.688 1.00 0.00 H new ATOM 588 N ILE A 49 4.416 3.523 8.817 1.00 0.00 N ATOM 589 CA ILE A 49 4.015 4.941 8.603 1.00 0.00 C ATOM 590 C ILE A 49 2.484 5.016 8.607 1.00 0.00 C ATOM 591 O ILE A 49 1.901 5.974 9.073 1.00 0.00 O ATOM 592 CB ILE A 49 4.610 5.498 7.282 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.540 5.627 6.188 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.727 4.584 6.768 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.169 4.241 5.667 1.00 0.00 C ATOM 0 H ILE A 49 4.812 3.051 8.004 1.00 0.00 H new ATOM 0 HA ILE A 49 4.410 5.562 9.407 1.00 0.00 H new ATOM 0 HB ILE A 49 5.009 6.488 7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.656 6.125 6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.913 6.245 5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.132 4.990 5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.519 4.523 7.514 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.325 3.588 6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.410 4.335 4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.054 3.759 5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.778 3.637 6.486 1.00 0.00 H new ATOM 607 N ARG A 50 1.832 4.002 8.106 1.00 0.00 N ATOM 608 CA ARG A 50 0.344 4.015 8.102 1.00 0.00 C ATOM 609 C ARG A 50 -0.139 4.285 9.523 1.00 0.00 C ATOM 610 O ARG A 50 -1.127 4.959 9.739 1.00 0.00 O ATOM 611 CB ARG A 50 -0.183 2.659 7.625 1.00 0.00 C ATOM 612 CG ARG A 50 -1.571 2.838 7.011 1.00 0.00 C ATOM 613 CD ARG A 50 -1.822 1.729 5.988 1.00 0.00 C ATOM 614 NE ARG A 50 -2.317 0.510 6.689 1.00 0.00 N ATOM 615 CZ ARG A 50 -2.367 -0.631 6.057 1.00 0.00 C ATOM 616 NH1 ARG A 50 -1.263 -1.209 5.669 1.00 0.00 N ATOM 617 NH2 ARG A 50 -3.519 -1.192 5.815 1.00 0.00 N ATOM 0 H ARG A 50 2.263 3.171 7.702 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.022 4.790 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.499 2.230 6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.231 1.961 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.332 2.807 7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.645 3.814 6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.553 2.059 5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.903 1.503 5.448 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.617 0.568 7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.363 -0.769 5.860 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.300 -2.101 5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.381 -0.739 6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.558 -2.084 5.321 1.00 0.00 H new ATOM 631 N SER A 51 0.566 3.782 10.498 1.00 0.00 N ATOM 632 CA SER A 51 0.165 4.033 11.905 1.00 0.00 C ATOM 633 C SER A 51 0.556 5.467 12.255 1.00 0.00 C ATOM 634 O SER A 51 -0.126 6.152 12.991 1.00 0.00 O ATOM 635 CB SER A 51 0.893 3.057 12.832 1.00 0.00 C ATOM 636 OG SER A 51 0.911 3.586 14.151 1.00 0.00 O ATOM 0 H SER A 51 1.401 3.209 10.379 1.00 0.00 H new ATOM 0 HA SER A 51 -0.909 3.891 12.026 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.394 2.088 12.823 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.911 2.894 12.479 1.00 0.00 H new ATOM 0 HG SER A 51 1.375 2.962 14.747 1.00 0.00 H new ATOM 642 N HIS A 52 1.653 5.926 11.713 1.00 0.00 N ATOM 643 CA HIS A 52 2.100 7.320 11.989 1.00 0.00 C ATOM 644 C HIS A 52 0.980 8.282 11.605 1.00 0.00 C ATOM 645 O HIS A 52 0.782 9.304 12.232 1.00 0.00 O ATOM 646 CB HIS A 52 3.390 7.605 11.174 1.00 0.00 C ATOM 647 CG HIS A 52 3.315 8.941 10.461 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.232 9.953 10.693 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.419 9.451 9.549 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.865 11.011 9.946 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.764 10.758 9.232 1.00 0.00 N ATOM 0 H HIS A 52 2.259 5.393 11.090 1.00 0.00 H new ATOM 0 HA HIS A 52 2.324 7.454 13.047 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.252 7.596 11.841 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.543 6.810 10.444 1.00 0.00 H new ATOM 0 HD1 HIS A 52 5.038 9.905 11.316 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.575 8.915 9.141 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.396 11.951 9.926 1.00 0.00 H new ATOM 659 N ILE A 53 0.244 7.972 10.582 1.00 0.00 N ATOM 660 CA ILE A 53 -0.855 8.892 10.191 1.00 0.00 C ATOM 661 C ILE A 53 -1.982 8.735 11.202 1.00 0.00 C ATOM 662 O ILE A 53 -2.451 9.690 11.769 1.00 0.00 O ATOM 663 CB ILE A 53 -1.387 8.582 8.779 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.506 7.547 8.069 1.00 0.00 C ATOM 665 CG2 ILE A 53 -1.399 9.868 7.955 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.990 7.369 6.629 1.00 0.00 C ATOM 0 H ILE A 53 0.351 7.137 10.007 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.473 9.913 10.179 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.394 8.175 8.874 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.534 7.872 8.077 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.546 6.595 8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.775 9.655 6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.045 10.603 8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.386 10.265 7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.364 6.633 6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.024 7.025 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.927 8.322 6.103 1.00 0.00 H new ATOM 678 N GLN A 54 -2.412 7.536 11.436 1.00 0.00 N ATOM 679 CA GLN A 54 -3.515 7.322 12.412 1.00 0.00 C ATOM 680 C GLN A 54 -3.286 8.164 13.663 1.00 0.00 C ATOM 681 O GLN A 54 -4.226 8.603 14.294 1.00 0.00 O ATOM 682 CB GLN A 54 -3.590 5.843 12.797 1.00 0.00 C ATOM 683 CG GLN A 54 -4.922 5.258 12.321 1.00 0.00 C ATOM 684 CD GLN A 54 -4.677 4.351 11.115 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.084 3.205 11.110 1.00 0.00 O ATOM 686 NE2 GLN A 54 -4.026 4.816 10.086 1.00 0.00 N ATOM 0 H GLN A 54 -2.050 6.690 10.996 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.454 7.624 11.948 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.760 5.297 12.349 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.498 5.732 13.877 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.392 4.692 13.126 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.609 6.061 12.053 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.685 5.777 10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.858 4.219 9.276 1.00 0.00 H new ATOM 695 N THR A 55 -2.060 8.405 14.039 1.00 0.00 N ATOM 696 CA THR A 55 -1.848 9.230 15.260 1.00 0.00 C ATOM 697 C THR A 55 -2.005 10.705 14.904 1.00 0.00 C ATOM 698 O THR A 55 -2.661 11.451 15.603 1.00 0.00 O ATOM 699 CB THR A 55 -0.460 8.965 15.857 1.00 0.00 C ATOM 700 OG1 THR A 55 -0.203 9.909 16.886 1.00 0.00 O ATOM 701 CG2 THR A 55 0.613 9.087 14.775 1.00 0.00 C ATOM 0 H THR A 55 -1.217 8.076 13.568 1.00 0.00 H new ATOM 0 HA THR A 55 -2.592 8.959 16.009 1.00 0.00 H new ATOM 0 HB THR A 55 -0.436 7.955 16.267 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.683 9.741 17.270 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.593 8.897 15.212 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.419 8.359 13.987 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.592 10.092 14.354 1.00 0.00 H new ATOM 709 N HIS A 56 -1.433 11.132 13.818 1.00 0.00 N ATOM 710 CA HIS A 56 -1.580 12.549 13.424 1.00 0.00 C ATOM 711 C HIS A 56 -2.674 12.642 12.363 1.00 0.00 C ATOM 712 O HIS A 56 -2.730 13.556 11.567 1.00 0.00 O ATOM 713 CB HIS A 56 -0.223 13.075 12.946 1.00 0.00 C ATOM 714 CG HIS A 56 -0.089 13.155 11.445 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.577 14.223 10.706 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.640 12.400 10.571 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.104 14.089 9.448 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.648 12.992 9.314 1.00 0.00 N ATOM 0 H HIS A 56 -0.871 10.559 13.188 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.884 13.176 14.262 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.060 14.067 13.368 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.563 12.429 13.337 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.181 14.970 11.049 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.139 11.475 10.821 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.309 14.784 8.647 1.00 0.00 H new ATOM 726 N LEU A 57 -3.558 11.680 12.380 1.00 0.00 N ATOM 727 CA LEU A 57 -4.684 11.652 11.420 1.00 0.00 C ATOM 728 C LEU A 57 -5.983 11.380 12.191 1.00 0.00 C ATOM 729 O LEU A 57 -7.057 11.754 11.762 1.00 0.00 O ATOM 730 CB LEU A 57 -4.443 10.542 10.392 1.00 0.00 C ATOM 731 CG LEU A 57 -5.252 10.809 9.124 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.022 12.247 8.664 1.00 0.00 C ATOM 733 CD2 LEU A 57 -4.791 9.846 8.027 1.00 0.00 C ATOM 0 H LEU A 57 -3.541 10.899 13.036 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.762 12.607 10.901 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.382 10.486 10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.725 9.578 10.815 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.313 10.660 9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.600 12.436 7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.339 12.935 9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.963 12.398 8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.363 10.029 7.118 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.731 10.003 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.950 8.819 8.355 1.00 0.00 H new ATOM 745 N GLU A 58 -5.898 10.738 13.334 1.00 0.00 N ATOM 746 CA GLU A 58 -7.127 10.461 14.125 1.00 0.00 C ATOM 747 C GLU A 58 -7.033 11.186 15.470 1.00 0.00 C ATOM 748 O GLU A 58 -7.793 12.090 15.754 1.00 0.00 O ATOM 749 CB GLU A 58 -7.256 8.955 14.363 1.00 0.00 C ATOM 750 CG GLU A 58 -8.726 8.600 14.596 1.00 0.00 C ATOM 751 CD GLU A 58 -9.189 7.612 13.524 1.00 0.00 C ATOM 752 OE1 GLU A 58 -8.408 6.745 13.170 1.00 0.00 O ATOM 753 OE2 GLU A 58 -10.316 7.740 13.075 1.00 0.00 O ATOM 0 H GLU A 58 -5.030 10.397 13.747 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.001 10.814 13.578 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.870 8.406 13.504 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.658 8.660 15.225 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.853 8.164 15.587 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.338 9.501 14.564 1.00 0.00 H new ATOM 760 N ASP A 59 -6.101 10.798 16.299 1.00 0.00 N ATOM 761 CA ASP A 59 -5.952 11.465 17.623 1.00 0.00 C ATOM 762 C ASP A 59 -7.293 11.463 18.357 1.00 0.00 C ATOM 763 O ASP A 59 -8.103 12.354 18.195 1.00 0.00 O ATOM 764 CB ASP A 59 -5.485 12.908 17.419 1.00 0.00 C ATOM 765 CG ASP A 59 -5.281 13.575 18.781 1.00 0.00 C ATOM 766 OD1 ASP A 59 -5.543 12.927 19.780 1.00 0.00 O ATOM 767 OD2 ASP A 59 -4.865 14.722 18.801 1.00 0.00 O ATOM 0 H ASP A 59 -5.436 10.047 16.115 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.215 10.924 18.217 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.555 12.924 16.851 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.222 13.462 16.838 1.00 0.00 H new ATOM 772 N ARG A 60 -7.532 10.470 19.167 1.00 0.00 N ATOM 773 CA ARG A 60 -8.819 10.411 19.916 1.00 0.00 C ATOM 774 C ARG A 60 -8.741 9.311 20.978 1.00 0.00 C ATOM 775 O ARG A 60 -7.821 8.513 20.909 1.00 0.00 O ATOM 776 CB ARG A 60 -9.963 10.106 18.948 1.00 0.00 C ATOM 777 CG ARG A 60 -9.698 8.775 18.243 1.00 0.00 C ATOM 778 CD ARG A 60 -10.256 7.630 19.089 1.00 0.00 C ATOM 779 NE ARG A 60 -9.248 6.535 19.168 1.00 0.00 N ATOM 780 CZ ARG A 60 -9.458 5.409 18.542 1.00 0.00 C ATOM 781 NH1 ARG A 60 -10.195 5.388 17.466 1.00 0.00 N ATOM 782 NH2 ARG A 60 -8.930 4.304 18.993 1.00 0.00 N ATOM 783 OXT ARG A 60 -9.602 9.288 21.841 1.00 0.00 O ATOM 0 H ARG A 60 -6.892 9.696 19.343 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.001 11.371 20.399 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.908 10.061 19.489 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.054 10.906 18.214 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.164 8.774 17.258 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.627 8.640 18.089 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.499 7.988 20.089 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.181 7.256 18.650 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.394 6.665 19.711 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.607 6.252 17.113 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.359 4.508 16.977 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.354 4.320 19.834 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.094 3.424 18.504 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.798 12.016 8.003 1.00 0.00 ZN