USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=12 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 27 MET CE :methyl -144:sc= -0.676 (180deg=-3.74!) USER MOD Set 1.2: A 31 THR OG1 : rot 156:sc= -2.01! USER MOD Single : A 14 THR OG1 : rot -36:sc= 0.0309 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -115:sc= 0.0297 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.663 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+ -164:sc= 0 (180deg=-0.283) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.54 K(o=-1.5,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -9.45! K(o=-9.4!,f=-2.8) USER MOD Single : A 55 THR OG1 : rot -80:sc= 0.337 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -21.569 6.012 3.298 1.00 0.00 N ATOM 2 CA THR A 14 -20.643 5.247 4.180 1.00 0.00 C ATOM 3 C THR A 14 -19.342 4.964 3.426 1.00 0.00 C ATOM 4 O THR A 14 -19.350 4.643 2.254 1.00 0.00 O ATOM 5 CB THR A 14 -21.298 3.924 4.583 1.00 0.00 C ATOM 6 OG1 THR A 14 -21.442 3.100 3.436 1.00 0.00 O ATOM 7 CG2 THR A 14 -22.673 4.199 5.194 1.00 0.00 C ATOM 0 HA THR A 14 -20.426 5.831 5.074 1.00 0.00 H new ATOM 0 HB THR A 14 -20.672 3.417 5.317 1.00 0.00 H new ATOM 0 HG1 THR A 14 -21.647 3.657 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 14 -23.139 3.256 5.481 1.00 0.00 H new ATOM 0 HG22 THR A 14 -22.560 4.831 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 14 -23.301 4.706 4.462 1.00 0.00 H new ATOM 17 N LEU A 15 -18.224 5.081 4.088 1.00 0.00 N ATOM 18 CA LEU A 15 -16.924 4.818 3.408 1.00 0.00 C ATOM 19 C LEU A 15 -15.802 4.769 4.449 1.00 0.00 C ATOM 20 O LEU A 15 -15.175 5.771 4.729 1.00 0.00 O ATOM 21 CB LEU A 15 -16.637 5.936 2.402 1.00 0.00 C ATOM 22 CG LEU A 15 -15.627 5.442 1.365 1.00 0.00 C ATOM 23 CD1 LEU A 15 -16.364 5.027 0.091 1.00 0.00 C ATOM 24 CD2 LEU A 15 -14.641 6.566 1.040 1.00 0.00 C ATOM 0 H LEU A 15 -18.154 5.347 5.070 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.976 3.863 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -17.560 6.242 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.245 6.812 2.918 1.00 0.00 H new ATOM 0 HG LEU A 15 -15.085 4.586 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -15.644 4.675 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.067 4.227 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.907 5.883 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.920 6.216 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.184 7.422 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.115 6.862 1.948 1.00 0.00 H new ATOM 36 N PRO A 16 -15.586 3.597 4.991 1.00 0.00 N ATOM 37 CA PRO A 16 -14.544 3.374 6.009 1.00 0.00 C ATOM 38 C PRO A 16 -13.164 3.291 5.352 1.00 0.00 C ATOM 39 O PRO A 16 -13.028 2.873 4.219 1.00 0.00 O ATOM 40 CB PRO A 16 -14.935 2.031 6.632 1.00 0.00 C ATOM 41 CG PRO A 16 -15.812 1.304 5.586 1.00 0.00 C ATOM 42 CD PRO A 16 -16.359 2.389 4.639 1.00 0.00 C ATOM 0 HA PRO A 16 -14.481 4.177 6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.050 1.442 6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.483 2.179 7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.227 0.568 5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.627 0.766 6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.216 2.115 3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.428 2.543 4.785 1.00 0.00 H new ATOM 50 N ARG A 17 -12.138 3.685 6.055 1.00 0.00 N ATOM 51 CA ARG A 17 -10.768 3.629 5.472 1.00 0.00 C ATOM 52 C ARG A 17 -10.617 4.731 4.422 1.00 0.00 C ATOM 53 O ARG A 17 -10.153 4.497 3.324 1.00 0.00 O ATOM 54 CB ARG A 17 -10.550 2.265 4.814 1.00 0.00 C ATOM 55 CG ARG A 17 -9.375 1.554 5.491 1.00 0.00 C ATOM 56 CD ARG A 17 -9.677 1.369 6.979 1.00 0.00 C ATOM 57 NE ARG A 17 -8.701 2.156 7.784 1.00 0.00 N ATOM 58 CZ ARG A 17 -7.738 1.545 8.419 1.00 0.00 C ATOM 59 NH1 ARG A 17 -8.019 0.697 9.370 1.00 0.00 N ATOM 60 NH2 ARG A 17 -6.494 1.782 8.102 1.00 0.00 N ATOM 0 H ARG A 17 -12.189 4.044 7.009 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.030 3.774 6.261 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.453 1.660 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.349 2.390 3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.203 0.586 5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.462 2.136 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.693 1.696 7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.617 0.314 7.245 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.785 3.171 7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.991 0.512 9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.267 0.219 9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.275 2.445 7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.741 1.305 8.598 1.00 0.00 H new ATOM 74 N GLY A 18 -11.005 5.934 4.750 1.00 0.00 N ATOM 75 CA GLY A 18 -10.882 7.050 3.771 1.00 0.00 C ATOM 76 C GLY A 18 -10.028 8.167 4.370 1.00 0.00 C ATOM 77 O GLY A 18 -10.034 9.288 3.901 1.00 0.00 O ATOM 0 H GLY A 18 -11.402 6.191 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.430 6.689 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.870 7.432 3.514 1.00 0.00 H new ATOM 81 N SER A 19 -9.291 7.872 5.406 1.00 0.00 N ATOM 82 CA SER A 19 -8.438 8.915 6.035 1.00 0.00 C ATOM 83 C SER A 19 -6.968 8.508 5.923 1.00 0.00 C ATOM 84 O SER A 19 -6.112 9.311 5.610 1.00 0.00 O ATOM 85 CB SER A 19 -8.816 9.066 7.509 1.00 0.00 C ATOM 86 OG SER A 19 -10.228 9.191 7.621 1.00 0.00 O ATOM 0 H SER A 19 -9.244 6.952 5.843 1.00 0.00 H new ATOM 0 HA SER A 19 -8.591 9.865 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.470 8.202 8.076 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.327 9.942 7.934 1.00 0.00 H new ATOM 0 HG SER A 19 -10.474 9.286 8.565 1.00 0.00 H new ATOM 92 N ILE A 20 -6.672 7.264 6.174 1.00 0.00 N ATOM 93 CA ILE A 20 -5.259 6.800 6.082 1.00 0.00 C ATOM 94 C ILE A 20 -4.894 6.582 4.616 1.00 0.00 C ATOM 95 O ILE A 20 -3.848 6.994 4.156 1.00 0.00 O ATOM 96 CB ILE A 20 -5.103 5.484 6.847 1.00 0.00 C ATOM 97 CG1 ILE A 20 -5.986 5.514 8.096 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.643 5.304 7.264 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.767 6.833 8.838 1.00 0.00 C ATOM 0 H ILE A 20 -7.348 6.547 6.439 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.599 7.552 6.515 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.403 4.655 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.034 5.410 7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.745 4.673 8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.533 4.366 7.809 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.011 5.284 6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.343 6.133 7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.395 6.858 9.729 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.720 6.917 9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.030 7.666 8.185 1.00 0.00 H new ATOM 111 N ASP A 21 -5.750 5.936 3.882 1.00 0.00 N ATOM 112 CA ASP A 21 -5.459 5.685 2.441 1.00 0.00 C ATOM 113 C ASP A 21 -5.619 6.986 1.652 1.00 0.00 C ATOM 114 O ASP A 21 -5.249 7.072 0.497 1.00 0.00 O ATOM 115 CB ASP A 21 -6.432 4.637 1.898 1.00 0.00 C ATOM 116 CG ASP A 21 -5.980 3.244 2.339 1.00 0.00 C ATOM 117 OD1 ASP A 21 -4.840 2.901 2.075 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.782 2.543 2.935 1.00 0.00 O ATOM 0 H ASP A 21 -6.641 5.569 4.215 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.437 5.321 2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.439 4.837 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.471 4.691 0.810 1.00 0.00 H new ATOM 123 N LYS A 22 -6.165 8.000 2.264 1.00 0.00 N ATOM 124 CA LYS A 22 -6.346 9.292 1.545 1.00 0.00 C ATOM 125 C LYS A 22 -5.113 10.175 1.761 1.00 0.00 C ATOM 126 O LYS A 22 -5.044 11.287 1.277 1.00 0.00 O ATOM 127 CB LYS A 22 -7.585 10.009 2.087 1.00 0.00 C ATOM 128 CG LYS A 22 -8.193 10.880 0.986 1.00 0.00 C ATOM 129 CD LYS A 22 -9.473 11.537 1.505 1.00 0.00 C ATOM 130 CE LYS A 22 -9.112 12.722 2.403 1.00 0.00 C ATOM 131 NZ LYS A 22 -10.275 13.648 2.496 1.00 0.00 N ATOM 0 H LYS A 22 -6.493 7.990 3.230 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.473 9.099 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.317 9.280 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.316 10.625 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.480 11.643 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.413 10.274 0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.086 11.874 0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.066 10.812 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.835 12.368 3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.247 13.248 1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.030 14.453 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.519 13.995 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.089 13.143 2.900 1.00 0.00 H new ATOM 145 N TYR A 23 -4.140 9.690 2.482 1.00 0.00 N ATOM 146 CA TYR A 23 -2.917 10.506 2.725 1.00 0.00 C ATOM 147 C TYR A 23 -1.707 9.582 2.866 1.00 0.00 C ATOM 148 O TYR A 23 -0.725 9.920 3.498 1.00 0.00 O ATOM 149 CB TYR A 23 -3.092 11.319 4.009 1.00 0.00 C ATOM 150 CG TYR A 23 -3.991 12.502 3.738 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.717 13.356 2.663 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.096 12.743 4.561 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.551 14.454 2.413 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.930 13.840 4.310 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.657 14.695 3.236 1.00 0.00 C ATOM 156 OH TYR A 23 -6.478 15.776 2.990 1.00 0.00 O ATOM 0 H TYR A 23 -4.139 8.765 2.913 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.760 11.184 1.886 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.522 10.694 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.122 11.661 4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.864 13.169 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.306 12.083 5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.340 15.114 1.585 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.784 14.026 4.945 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.199 15.797 3.654 1.00 0.00 H new ATOM 166 N VAL A 24 -1.768 8.417 2.282 1.00 0.00 N ATOM 167 CA VAL A 24 -0.619 7.473 2.382 1.00 0.00 C ATOM 168 C VAL A 24 -0.048 7.218 0.988 1.00 0.00 C ATOM 169 O VAL A 24 -0.729 6.729 0.107 1.00 0.00 O ATOM 170 CB VAL A 24 -1.096 6.151 2.985 1.00 0.00 C ATOM 171 CG1 VAL A 24 -0.011 5.087 2.810 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.381 6.345 4.475 1.00 0.00 C ATOM 0 H VAL A 24 -2.563 8.078 1.740 1.00 0.00 H new ATOM 0 HA VAL A 24 0.153 7.906 3.019 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.005 5.829 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.352 4.145 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.194 4.948 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.899 5.409 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.721 5.403 4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.471 6.668 4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.154 7.102 4.602 1.00 0.00 H new ATOM 182 N LYS A 25 1.197 7.542 0.778 1.00 0.00 N ATOM 183 CA LYS A 25 1.807 7.312 -0.560 1.00 0.00 C ATOM 184 C LYS A 25 2.694 6.067 -0.506 1.00 0.00 C ATOM 185 O LYS A 25 3.695 6.037 0.180 1.00 0.00 O ATOM 186 CB LYS A 25 2.653 8.526 -0.954 1.00 0.00 C ATOM 187 CG LYS A 25 3.134 8.365 -2.396 1.00 0.00 C ATOM 188 CD LYS A 25 3.305 9.743 -3.038 1.00 0.00 C ATOM 189 CE LYS A 25 3.930 9.584 -4.425 1.00 0.00 C ATOM 190 NZ LYS A 25 5.212 10.342 -4.482 1.00 0.00 N ATOM 0 H LYS A 25 1.817 7.955 1.474 1.00 0.00 H new ATOM 0 HA LYS A 25 1.019 7.166 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.066 9.439 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.507 8.621 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.080 7.824 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.416 7.774 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.339 10.242 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.938 10.372 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.109 8.530 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.244 9.950 -5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.126 11.119 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.427 10.732 -3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.979 9.704 -4.775 1.00 0.00 H new ATOM 204 N GLU A 26 2.334 5.039 -1.225 1.00 0.00 N ATOM 205 CA GLU A 26 3.157 3.797 -1.214 1.00 0.00 C ATOM 206 C GLU A 26 3.773 3.588 -2.597 1.00 0.00 C ATOM 207 O GLU A 26 3.092 3.248 -3.545 1.00 0.00 O ATOM 208 CB GLU A 26 2.272 2.600 -0.859 1.00 0.00 C ATOM 209 CG GLU A 26 0.971 2.670 -1.662 1.00 0.00 C ATOM 210 CD GLU A 26 0.626 1.281 -2.199 1.00 0.00 C ATOM 211 OE1 GLU A 26 0.022 0.516 -1.464 1.00 0.00 O ATOM 212 OE2 GLU A 26 0.971 1.003 -3.336 1.00 0.00 O ATOM 0 H GLU A 26 1.506 5.006 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 26 3.950 3.890 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.796 1.670 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.053 2.600 0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.162 3.039 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.078 3.374 -2.487 1.00 0.00 H new ATOM 219 N MET A 27 5.055 3.792 -2.724 1.00 0.00 N ATOM 220 CA MET A 27 5.710 3.609 -4.050 1.00 0.00 C ATOM 221 C MET A 27 6.298 2.195 -4.144 1.00 0.00 C ATOM 222 O MET A 27 6.920 1.719 -3.209 1.00 0.00 O ATOM 223 CB MET A 27 6.830 4.638 -4.207 1.00 0.00 C ATOM 224 CG MET A 27 6.318 6.016 -3.781 1.00 0.00 C ATOM 225 SD MET A 27 6.439 7.162 -5.177 1.00 0.00 S ATOM 226 CE MET A 27 8.225 7.026 -5.428 1.00 0.00 C ATOM 0 H MET A 27 5.677 4.077 -1.968 1.00 0.00 H new ATOM 0 HA MET A 27 4.973 3.746 -4.841 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.689 4.353 -3.599 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.169 4.668 -5.243 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.284 5.944 -3.445 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.902 6.388 -2.939 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.625 7.995 -5.726 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.700 6.707 -4.500 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.428 6.293 -6.209 1.00 0.00 H new ATOM 236 N PRO A 28 6.091 1.566 -5.278 1.00 0.00 N ATOM 237 CA PRO A 28 6.589 0.202 -5.524 1.00 0.00 C ATOM 238 C PRO A 28 8.107 0.223 -5.686 1.00 0.00 C ATOM 239 O PRO A 28 8.749 -0.805 -5.765 1.00 0.00 O ATOM 240 CB PRO A 28 5.883 -0.221 -6.816 1.00 0.00 C ATOM 241 CG PRO A 28 5.458 1.086 -7.523 1.00 0.00 C ATOM 242 CD PRO A 28 5.370 2.161 -6.423 1.00 0.00 C ATOM 0 HA PRO A 28 6.385 -0.491 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.549 -0.807 -7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.017 -0.846 -6.599 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.183 1.369 -8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.498 0.963 -8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.831 3.096 -6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.334 2.387 -6.168 1.00 0.00 H new ATOM 250 N ASP A 29 8.687 1.391 -5.705 1.00 0.00 N ATOM 251 CA ASP A 29 10.161 1.484 -5.827 1.00 0.00 C ATOM 252 C ASP A 29 10.759 1.485 -4.421 1.00 0.00 C ATOM 253 O ASP A 29 11.891 1.876 -4.216 1.00 0.00 O ATOM 254 CB ASP A 29 10.540 2.778 -6.552 1.00 0.00 C ATOM 255 CG ASP A 29 10.273 3.974 -5.636 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.160 4.086 -5.149 1.00 0.00 O ATOM 257 OD2 ASP A 29 11.187 4.758 -5.439 1.00 0.00 O ATOM 0 H ASP A 29 8.199 2.284 -5.641 1.00 0.00 H new ATOM 0 HA ASP A 29 10.545 0.639 -6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.592 2.753 -6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.963 2.875 -7.471 1.00 0.00 H new ATOM 262 N LYS A 30 9.987 1.063 -3.447 1.00 0.00 N ATOM 263 CA LYS A 30 10.475 1.037 -2.041 1.00 0.00 C ATOM 264 C LYS A 30 10.523 2.463 -1.503 1.00 0.00 C ATOM 265 O LYS A 30 11.552 2.943 -1.069 1.00 0.00 O ATOM 266 CB LYS A 30 11.868 0.399 -1.970 1.00 0.00 C ATOM 267 CG LYS A 30 11.754 -1.006 -1.377 1.00 0.00 C ATOM 268 CD LYS A 30 12.437 -2.011 -2.308 1.00 0.00 C ATOM 269 CE LYS A 30 13.581 -2.702 -1.564 1.00 0.00 C ATOM 270 NZ LYS A 30 13.715 -4.104 -2.049 1.00 0.00 N ATOM 0 H LYS A 30 9.030 0.733 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 30 9.794 0.440 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.309 0.351 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.530 1.011 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.218 -1.035 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.705 -1.272 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.715 -2.751 -2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.820 -1.501 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.513 -2.160 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.388 -2.694 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.493 -4.574 -1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.828 -4.618 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.918 -4.101 -3.069 1.00 0.00 H new ATOM 284 N THR A 31 9.411 3.145 -1.527 1.00 0.00 N ATOM 285 CA THR A 31 9.387 4.541 -1.016 1.00 0.00 C ATOM 286 C THR A 31 8.047 4.818 -0.334 1.00 0.00 C ATOM 287 O THR A 31 7.167 3.983 -0.310 1.00 0.00 O ATOM 288 CB THR A 31 9.576 5.513 -2.174 1.00 0.00 C ATOM 289 OG1 THR A 31 10.456 4.945 -3.133 1.00 0.00 O ATOM 290 CG2 THR A 31 10.160 6.825 -1.649 1.00 0.00 C ATOM 0 H THR A 31 8.520 2.795 -1.878 1.00 0.00 H new ATOM 0 HA THR A 31 10.194 4.672 -0.295 1.00 0.00 H new ATOM 0 HB THR A 31 8.613 5.710 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.293 5.354 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.295 7.520 -2.477 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.479 7.260 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.123 6.631 -1.177 1.00 0.00 H new ATOM 298 N PHE A 32 7.892 5.988 0.219 1.00 0.00 N ATOM 299 CA PHE A 32 6.611 6.329 0.904 1.00 0.00 C ATOM 300 C PHE A 32 6.506 7.846 1.069 1.00 0.00 C ATOM 301 O PHE A 32 7.500 8.542 1.139 1.00 0.00 O ATOM 302 CB PHE A 32 6.580 5.673 2.285 1.00 0.00 C ATOM 303 CG PHE A 32 5.643 4.492 2.267 1.00 0.00 C ATOM 304 CD1 PHE A 32 6.118 3.229 1.899 1.00 0.00 C ATOM 305 CD2 PHE A 32 4.301 4.661 2.624 1.00 0.00 C ATOM 306 CE1 PHE A 32 5.250 2.133 1.885 1.00 0.00 C ATOM 307 CE2 PHE A 32 3.433 3.564 2.612 1.00 0.00 C ATOM 308 CZ PHE A 32 3.906 2.299 2.243 1.00 0.00 C ATOM 0 H PHE A 32 8.597 6.725 0.227 1.00 0.00 H new ATOM 0 HA PHE A 32 5.776 5.966 0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.582 5.350 2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.255 6.395 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.155 3.100 1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.936 5.637 2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.616 1.158 1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.397 3.693 2.888 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.236 1.452 2.234 1.00 0.00 H new ATOM 318 N GLU A 33 5.310 8.366 1.135 1.00 0.00 N ATOM 319 CA GLU A 33 5.148 9.838 1.299 1.00 0.00 C ATOM 320 C GLU A 33 3.759 10.149 1.864 1.00 0.00 C ATOM 321 O GLU A 33 2.754 9.970 1.204 1.00 0.00 O ATOM 322 CB GLU A 33 5.311 10.522 -0.059 1.00 0.00 C ATOM 323 CG GLU A 33 5.639 12.002 0.151 1.00 0.00 C ATOM 324 CD GLU A 33 6.158 12.602 -1.158 1.00 0.00 C ATOM 325 OE1 GLU A 33 7.121 12.073 -1.688 1.00 0.00 O ATOM 326 OE2 GLU A 33 5.582 13.579 -1.607 1.00 0.00 O ATOM 0 H GLU A 33 4.440 7.836 1.083 1.00 0.00 H new ATOM 0 HA GLU A 33 5.906 10.208 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.106 10.040 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.395 10.421 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.750 12.539 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.388 12.111 0.935 1.00 0.00 H new ATOM 333 N CYS A 34 3.699 10.624 3.078 1.00 0.00 N ATOM 334 CA CYS A 34 2.383 10.962 3.692 1.00 0.00 C ATOM 335 C CYS A 34 1.796 12.173 2.960 1.00 0.00 C ATOM 336 O CYS A 34 2.294 13.276 3.068 1.00 0.00 O ATOM 337 CB CYS A 34 2.606 11.295 5.171 1.00 0.00 C ATOM 338 SG CYS A 34 1.024 11.437 6.041 1.00 0.00 S ATOM 0 H CYS A 34 4.509 10.793 3.674 1.00 0.00 H new ATOM 0 HA CYS A 34 1.691 10.124 3.611 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.214 10.519 5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.160 12.229 5.259 1.00 0.00 H new ATOM 343 N LEU A 35 0.753 11.973 2.198 1.00 0.00 N ATOM 344 CA LEU A 35 0.148 13.109 1.439 1.00 0.00 C ATOM 345 C LEU A 35 -0.692 13.991 2.367 1.00 0.00 C ATOM 346 O LEU A 35 -1.366 14.899 1.924 1.00 0.00 O ATOM 347 CB LEU A 35 -0.744 12.558 0.325 1.00 0.00 C ATOM 348 CG LEU A 35 -0.029 11.404 -0.379 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.928 10.165 -0.368 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.273 11.799 -1.826 1.00 0.00 C ATOM 0 H LEU A 35 0.293 11.072 2.068 1.00 0.00 H new ATOM 0 HA LEU A 35 0.951 13.710 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.691 12.213 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.978 13.346 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 35 0.903 11.183 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.419 9.342 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.146 9.883 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.860 10.387 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.783 10.977 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.660 12.019 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.911 12.682 -1.836 1.00 0.00 H new ATOM 362 N PHE A 36 -0.662 13.743 3.647 1.00 0.00 N ATOM 363 CA PHE A 36 -1.464 14.584 4.579 1.00 0.00 C ATOM 364 C PHE A 36 -0.934 16.020 4.543 1.00 0.00 C ATOM 365 O PHE A 36 0.261 16.234 4.481 1.00 0.00 O ATOM 366 CB PHE A 36 -1.336 14.027 5.998 1.00 0.00 C ATOM 367 CG PHE A 36 -2.343 14.699 6.900 1.00 0.00 C ATOM 368 CD1 PHE A 36 -3.626 14.160 7.040 1.00 0.00 C ATOM 369 CD2 PHE A 36 -1.992 15.856 7.603 1.00 0.00 C ATOM 370 CE1 PHE A 36 -4.557 14.776 7.881 1.00 0.00 C ATOM 371 CE2 PHE A 36 -2.921 16.473 8.447 1.00 0.00 C ATOM 372 CZ PHE A 36 -4.205 15.933 8.587 1.00 0.00 C ATOM 0 H PHE A 36 -0.120 12.999 4.086 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.511 14.574 4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.500 12.949 5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.327 14.194 6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.898 13.267 6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.002 16.274 7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.548 14.360 7.986 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.648 17.366 8.990 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.923 16.408 9.239 1.00 0.00 H new ATOM 382 N PRO A 37 -1.838 16.968 4.587 1.00 0.00 N ATOM 383 CA PRO A 37 -1.478 18.395 4.562 1.00 0.00 C ATOM 384 C PRO A 37 -0.909 18.818 5.915 1.00 0.00 C ATOM 385 O PRO A 37 -1.589 18.805 6.921 1.00 0.00 O ATOM 386 CB PRO A 37 -2.805 19.099 4.262 1.00 0.00 C ATOM 387 CG PRO A 37 -3.922 18.115 4.680 1.00 0.00 C ATOM 388 CD PRO A 37 -3.290 16.710 4.673 1.00 0.00 C ATOM 0 HA PRO A 37 -0.710 18.637 3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.883 20.034 4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.882 19.348 3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.307 18.362 5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.763 18.166 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.543 16.155 5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.641 16.119 3.827 1.00 0.00 H new ATOM 396 N GLY A 38 0.343 19.178 5.943 1.00 0.00 N ATOM 397 CA GLY A 38 0.978 19.587 7.224 1.00 0.00 C ATOM 398 C GLY A 38 2.047 18.559 7.591 1.00 0.00 C ATOM 399 O GLY A 38 2.901 18.803 8.420 1.00 0.00 O ATOM 0 H GLY A 38 0.956 19.206 5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.424 20.577 7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.229 19.652 8.013 1.00 0.00 H new ATOM 403 N CYS A 39 2.004 17.406 6.974 1.00 0.00 N ATOM 404 CA CYS A 39 3.017 16.358 7.279 1.00 0.00 C ATOM 405 C CYS A 39 4.370 16.767 6.696 1.00 0.00 C ATOM 406 O CYS A 39 4.469 17.695 5.918 1.00 0.00 O ATOM 407 CB CYS A 39 2.581 15.033 6.655 1.00 0.00 C ATOM 408 SG CYS A 39 3.449 13.666 7.464 1.00 0.00 S ATOM 0 H CYS A 39 1.310 17.147 6.273 1.00 0.00 H new ATOM 0 HA CYS A 39 3.105 16.245 8.360 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.504 14.907 6.761 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.798 15.034 5.587 1.00 0.00 H new ATOM 413 N THR A 40 5.412 16.075 7.063 1.00 0.00 N ATOM 414 CA THR A 40 6.761 16.412 6.531 1.00 0.00 C ATOM 415 C THR A 40 7.694 15.219 6.740 1.00 0.00 C ATOM 416 O THR A 40 8.898 15.364 6.813 1.00 0.00 O ATOM 417 CB THR A 40 7.313 17.631 7.274 1.00 0.00 C ATOM 418 OG1 THR A 40 6.249 18.297 7.940 1.00 0.00 O ATOM 419 CG2 THR A 40 7.970 18.586 6.276 1.00 0.00 C ATOM 0 H THR A 40 5.387 15.288 7.711 1.00 0.00 H new ATOM 0 HA THR A 40 6.691 16.640 5.467 1.00 0.00 H new ATOM 0 HB THR A 40 8.055 17.307 8.004 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.600 19.077 8.418 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.362 19.453 6.807 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.785 18.074 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.231 18.912 5.544 1.00 0.00 H new ATOM 427 N LYS A 41 7.146 14.037 6.841 1.00 0.00 N ATOM 428 CA LYS A 41 8.001 12.835 7.050 1.00 0.00 C ATOM 429 C LYS A 41 7.761 11.827 5.923 1.00 0.00 C ATOM 430 O LYS A 41 6.641 11.591 5.514 1.00 0.00 O ATOM 431 CB LYS A 41 7.649 12.190 8.392 1.00 0.00 C ATOM 432 CG LYS A 41 8.626 12.677 9.463 1.00 0.00 C ATOM 433 CD LYS A 41 7.852 13.376 10.582 1.00 0.00 C ATOM 434 CE LYS A 41 6.934 14.441 9.979 1.00 0.00 C ATOM 435 NZ LYS A 41 6.854 15.608 10.901 1.00 0.00 N ATOM 0 H LYS A 41 6.144 13.853 6.788 1.00 0.00 H new ATOM 0 HA LYS A 41 9.049 13.133 7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.627 12.445 8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.695 11.104 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.188 11.835 9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.350 13.363 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.264 12.648 11.142 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.545 13.835 11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.315 14.757 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.940 14.027 9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.230 16.332 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.472 15.300 11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.804 16.008 11.038 1.00 0.00 H new ATOM 449 N THR A 42 8.807 11.228 5.419 1.00 0.00 N ATOM 450 CA THR A 42 8.642 10.234 4.322 1.00 0.00 C ATOM 451 C THR A 42 9.191 8.880 4.776 1.00 0.00 C ATOM 452 O THR A 42 9.799 8.766 5.823 1.00 0.00 O ATOM 453 CB THR A 42 9.405 10.704 3.085 1.00 0.00 C ATOM 454 OG1 THR A 42 10.792 10.447 3.257 1.00 0.00 O ATOM 455 CG2 THR A 42 9.182 12.204 2.885 1.00 0.00 C ATOM 0 H THR A 42 9.769 11.385 5.721 1.00 0.00 H new ATOM 0 HA THR A 42 7.584 10.136 4.078 1.00 0.00 H new ATOM 0 HB THR A 42 9.043 10.165 2.209 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.281 10.747 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.727 12.538 2.002 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.118 12.399 2.750 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.542 12.745 3.760 1.00 0.00 H new ATOM 463 N PHE A 43 8.984 7.851 4.000 1.00 0.00 N ATOM 464 CA PHE A 43 9.494 6.507 4.393 1.00 0.00 C ATOM 465 C PHE A 43 9.784 5.683 3.137 1.00 0.00 C ATOM 466 O PHE A 43 9.930 6.214 2.053 1.00 0.00 O ATOM 467 CB PHE A 43 8.440 5.791 5.241 1.00 0.00 C ATOM 468 CG PHE A 43 7.711 6.799 6.096 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.750 7.639 5.520 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.994 6.895 7.463 1.00 0.00 C ATOM 471 CE1 PHE A 43 6.072 8.574 6.311 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.317 7.830 8.255 1.00 0.00 C ATOM 473 CZ PHE A 43 6.357 8.669 7.679 1.00 0.00 C ATOM 0 H PHE A 43 8.484 7.883 3.111 1.00 0.00 H new ATOM 0 HA PHE A 43 10.411 6.621 4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.734 5.267 4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.915 5.039 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.532 7.565 4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.735 6.247 7.907 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.330 9.221 5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.536 7.904 9.310 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.835 9.391 8.290 1.00 0.00 H new ATOM 483 N LYS A 44 9.863 4.386 3.271 1.00 0.00 N ATOM 484 CA LYS A 44 10.139 3.532 2.082 1.00 0.00 C ATOM 485 C LYS A 44 9.744 2.084 2.383 1.00 0.00 C ATOM 486 O LYS A 44 10.223 1.480 3.322 1.00 0.00 O ATOM 487 CB LYS A 44 11.630 3.595 1.745 1.00 0.00 C ATOM 488 CG LYS A 44 12.451 3.439 3.027 1.00 0.00 C ATOM 489 CD LYS A 44 13.819 2.844 2.688 1.00 0.00 C ATOM 490 CE LYS A 44 14.859 3.964 2.611 1.00 0.00 C ATOM 491 NZ LYS A 44 14.731 4.672 1.306 1.00 0.00 N ATOM 0 H LYS A 44 9.748 3.883 4.151 1.00 0.00 H new ATOM 0 HA LYS A 44 9.558 3.895 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.887 2.807 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.865 4.544 1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.574 4.407 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.926 2.793 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.109 2.116 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.771 2.312 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.715 4.665 3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.862 3.551 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.586 5.238 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.617 3.975 0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.901 5.298 1.330 1.00 0.00 H new ATOM 505 N ARG A 45 8.875 1.522 1.586 1.00 0.00 N ATOM 506 CA ARG A 45 8.448 0.112 1.817 1.00 0.00 C ATOM 507 C ARG A 45 8.211 -0.119 3.310 1.00 0.00 C ATOM 508 O ARG A 45 9.100 -0.517 4.036 1.00 0.00 O ATOM 509 CB ARG A 45 9.542 -0.838 1.323 1.00 0.00 C ATOM 510 CG ARG A 45 8.908 -2.153 0.867 1.00 0.00 C ATOM 511 CD ARG A 45 9.860 -3.312 1.168 1.00 0.00 C ATOM 512 NE ARG A 45 9.262 -4.585 0.677 1.00 0.00 N ATOM 513 CZ ARG A 45 9.921 -5.333 -0.165 1.00 0.00 C ATOM 514 NH1 ARG A 45 11.125 -5.740 0.129 1.00 0.00 N ATOM 515 NH2 ARG A 45 9.376 -5.672 -1.302 1.00 0.00 N ATOM 0 H ARG A 45 8.442 1.979 0.784 1.00 0.00 H new ATOM 0 HA ARG A 45 7.523 -0.078 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.090 -0.381 0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.262 -1.026 2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.958 -2.307 1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.693 -2.114 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.823 -3.140 0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.046 -3.375 2.240 1.00 0.00 H new ATOM 0 HE ARG A 45 8.338 -4.872 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.551 -5.474 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.641 -6.325 -0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.435 -5.352 -1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.891 -6.257 -1.960 1.00 0.00 H new ATOM 529 N ARG A 46 7.016 0.126 3.775 1.00 0.00 N ATOM 530 CA ARG A 46 6.723 -0.083 5.220 1.00 0.00 C ATOM 531 C ARG A 46 5.330 0.459 5.546 1.00 0.00 C ATOM 532 O ARG A 46 4.857 1.395 4.931 1.00 0.00 O ATOM 533 CB ARG A 46 7.763 0.655 6.064 1.00 0.00 C ATOM 534 CG ARG A 46 8.282 -0.274 7.163 1.00 0.00 C ATOM 535 CD ARG A 46 9.809 -0.210 7.210 1.00 0.00 C ATOM 536 NE ARG A 46 10.286 -0.698 8.535 1.00 0.00 N ATOM 537 CZ ARG A 46 11.197 -1.630 8.597 1.00 0.00 C ATOM 538 NH1 ARG A 46 10.849 -2.887 8.574 1.00 0.00 N ATOM 539 NH2 ARG A 46 12.458 -1.304 8.682 1.00 0.00 N ATOM 0 H ARG A 46 6.231 0.462 3.217 1.00 0.00 H new ATOM 0 HA ARG A 46 6.760 -1.149 5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.588 0.987 5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.321 1.547 6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.866 0.019 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.956 -1.297 6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.234 -0.819 6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.146 0.813 7.044 1.00 0.00 H new ATOM 0 HE ARG A 46 9.900 -0.304 9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.864 -3.142 8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.562 -3.615 8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.731 -0.321 8.700 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.171 -2.032 8.731 1.00 0.00 H new ATOM 553 N TYR A 47 4.674 -0.118 6.514 1.00 0.00 N ATOM 554 CA TYR A 47 3.316 0.366 6.890 1.00 0.00 C ATOM 555 C TYR A 47 3.444 1.241 8.131 1.00 0.00 C ATOM 556 O TYR A 47 2.481 1.497 8.827 1.00 0.00 O ATOM 557 CB TYR A 47 2.385 -0.812 7.214 1.00 0.00 C ATOM 558 CG TYR A 47 3.128 -2.121 7.094 1.00 0.00 C ATOM 559 CD1 TYR A 47 3.172 -2.789 5.866 1.00 0.00 C ATOM 560 CD2 TYR A 47 3.775 -2.661 8.212 1.00 0.00 C ATOM 561 CE1 TYR A 47 3.862 -4.002 5.755 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.466 -3.874 8.101 1.00 0.00 C ATOM 563 CZ TYR A 47 4.509 -4.544 6.872 1.00 0.00 C ATOM 564 OH TYR A 47 5.190 -5.739 6.763 1.00 0.00 O ATOM 0 H TYR A 47 5.020 -0.905 7.062 1.00 0.00 H new ATOM 0 HA TYR A 47 2.895 0.925 6.055 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.989 -0.703 8.224 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.533 -0.807 6.535 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.674 -2.369 5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.741 -2.143 9.159 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.895 -4.520 4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.965 -4.292 8.962 1.00 0.00 H new ATOM 0 HH TYR A 47 5.582 -5.972 7.630 1.00 0.00 H new ATOM 574 N ASN A 48 4.630 1.691 8.423 1.00 0.00 N ATOM 575 CA ASN A 48 4.823 2.536 9.627 1.00 0.00 C ATOM 576 C ASN A 48 4.044 3.841 9.472 1.00 0.00 C ATOM 577 O ASN A 48 3.902 4.600 10.411 1.00 0.00 O ATOM 578 CB ASN A 48 6.311 2.844 9.806 1.00 0.00 C ATOM 579 CG ASN A 48 6.997 1.664 10.499 1.00 0.00 C ATOM 580 OD1 ASN A 48 7.965 1.843 11.210 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.532 0.458 10.319 1.00 0.00 N ATOM 0 H ASN A 48 5.473 1.509 7.879 1.00 0.00 H new ATOM 0 HA ASN A 48 4.457 2.001 10.503 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.774 3.029 8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.437 3.750 10.398 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.982 -0.335 10.776 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.719 0.309 9.722 1.00 0.00 H new ATOM 588 N ILE A 49 3.523 4.110 8.306 1.00 0.00 N ATOM 589 CA ILE A 49 2.744 5.364 8.131 1.00 0.00 C ATOM 590 C ILE A 49 1.363 5.149 8.699 1.00 0.00 C ATOM 591 O ILE A 49 0.901 5.890 9.518 1.00 0.00 O ATOM 592 CB ILE A 49 2.602 5.735 6.655 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.974 6.026 6.075 1.00 0.00 C ATOM 594 CG2 ILE A 49 1.722 6.980 6.522 1.00 0.00 C ATOM 595 CD1 ILE A 49 4.729 4.713 5.979 1.00 0.00 C ATOM 0 H ILE A 49 3.603 3.522 7.477 1.00 0.00 H new ATOM 0 HA ILE A 49 3.269 6.170 8.642 1.00 0.00 H new ATOM 0 HB ILE A 49 2.144 4.906 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.882 6.486 5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.514 6.731 6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.621 7.244 5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.737 6.775 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.180 7.809 7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.721 4.893 5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.825 4.275 6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.184 4.026 5.331 1.00 0.00 H new ATOM 607 N ARG A 50 0.683 4.145 8.266 1.00 0.00 N ATOM 608 CA ARG A 50 -0.678 3.944 8.801 1.00 0.00 C ATOM 609 C ARG A 50 -0.648 4.042 10.326 1.00 0.00 C ATOM 610 O ARG A 50 -1.639 4.350 10.951 1.00 0.00 O ATOM 611 CB ARG A 50 -1.233 2.588 8.363 1.00 0.00 C ATOM 612 CG ARG A 50 -0.134 1.528 8.464 1.00 0.00 C ATOM 613 CD ARG A 50 -0.759 0.136 8.346 1.00 0.00 C ATOM 614 NE ARG A 50 -1.977 0.065 9.199 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.894 -0.393 10.418 1.00 0.00 C ATOM 616 NH1 ARG A 50 -1.162 -1.442 10.673 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.543 0.200 11.384 1.00 0.00 N ATOM 0 H ARG A 50 1.000 3.463 7.577 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.333 4.721 8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.080 2.310 8.991 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.602 2.648 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.603 1.676 7.675 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.392 1.623 9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.017 -0.072 7.307 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.041 -0.624 8.654 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.876 0.374 8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.654 -1.905 9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.098 -1.799 11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.115 1.021 11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.478 -0.158 12.337 1.00 0.00 H new ATOM 631 N SER A 51 0.484 3.820 10.933 1.00 0.00 N ATOM 632 CA SER A 51 0.553 3.950 12.411 1.00 0.00 C ATOM 633 C SER A 51 0.965 5.384 12.733 1.00 0.00 C ATOM 634 O SER A 51 0.537 5.967 13.711 1.00 0.00 O ATOM 635 CB SER A 51 1.583 2.970 12.974 1.00 0.00 C ATOM 636 OG SER A 51 1.514 2.982 14.394 1.00 0.00 O ATOM 0 H SER A 51 1.356 3.557 10.473 1.00 0.00 H new ATOM 0 HA SER A 51 -0.414 3.722 12.859 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.390 1.965 12.597 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.584 3.247 12.644 1.00 0.00 H new ATOM 0 HG SER A 51 2.172 2.354 14.759 1.00 0.00 H new ATOM 642 N HIS A 52 1.787 5.959 11.899 1.00 0.00 N ATOM 643 CA HIS A 52 2.234 7.362 12.118 1.00 0.00 C ATOM 644 C HIS A 52 1.062 8.310 11.855 1.00 0.00 C ATOM 645 O HIS A 52 0.726 9.136 12.681 1.00 0.00 O ATOM 646 CB HIS A 52 3.421 7.662 11.168 1.00 0.00 C ATOM 647 CG HIS A 52 3.274 9.018 10.516 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.015 10.117 10.925 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.447 9.475 9.514 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.619 11.170 10.188 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.665 10.835 9.315 1.00 0.00 N ATOM 0 H HIS A 52 2.171 5.511 11.067 1.00 0.00 H new ATOM 0 HA HIS A 52 2.565 7.505 13.147 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.356 7.625 11.728 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.478 6.891 10.400 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.730 10.125 11.652 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.738 8.871 8.967 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.023 12.166 10.290 1.00 0.00 H new ATOM 659 N ILE A 53 0.440 8.207 10.718 1.00 0.00 N ATOM 660 CA ILE A 53 -0.696 9.116 10.439 1.00 0.00 C ATOM 661 C ILE A 53 -1.819 8.816 11.417 1.00 0.00 C ATOM 662 O ILE A 53 -2.515 9.695 11.849 1.00 0.00 O ATOM 663 CB ILE A 53 -1.202 8.952 9.001 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.903 7.550 8.474 1.00 0.00 C ATOM 665 CG2 ILE A 53 -0.508 9.971 8.105 1.00 0.00 C ATOM 666 CD1 ILE A 53 -1.589 7.373 7.125 1.00 0.00 C ATOM 0 H ILE A 53 0.666 7.541 9.979 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.357 10.145 10.558 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.281 9.109 8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.173 7.407 8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.258 6.799 9.179 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.865 9.858 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.731 10.978 8.458 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.569 9.807 8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.382 6.375 6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.665 7.500 7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.212 8.118 6.424 1.00 0.00 H new ATOM 678 N GLN A 54 -2.008 7.590 11.792 1.00 0.00 N ATOM 679 CA GLN A 54 -3.101 7.315 12.757 1.00 0.00 C ATOM 680 C GLN A 54 -2.918 8.220 13.964 1.00 0.00 C ATOM 681 O GLN A 54 -3.864 8.553 14.650 1.00 0.00 O ATOM 682 CB GLN A 54 -3.070 5.849 13.192 1.00 0.00 C ATOM 683 CG GLN A 54 -4.407 5.189 12.854 1.00 0.00 C ATOM 684 CD GLN A 54 -4.368 4.660 11.420 1.00 0.00 C ATOM 685 OE1 GLN A 54 -4.884 3.597 11.138 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.774 5.363 10.493 1.00 0.00 N ATOM 0 H GLN A 54 -1.469 6.782 11.482 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.065 7.510 12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.257 5.326 12.689 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.879 5.780 14.263 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.607 4.373 13.548 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.218 5.909 12.965 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.341 6.256 10.729 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.744 5.019 9.533 1.00 0.00 H new ATOM 695 N THR A 55 -1.715 8.639 14.230 1.00 0.00 N ATOM 696 CA THR A 55 -1.506 9.536 15.390 1.00 0.00 C ATOM 697 C THR A 55 -1.832 10.967 14.975 1.00 0.00 C ATOM 698 O THR A 55 -2.641 11.633 15.591 1.00 0.00 O ATOM 699 CB THR A 55 -0.050 9.445 15.862 1.00 0.00 C ATOM 700 OG1 THR A 55 0.732 10.402 15.161 1.00 0.00 O ATOM 701 CG2 THR A 55 0.493 8.041 15.588 1.00 0.00 C ATOM 0 H THR A 55 -0.877 8.401 13.699 1.00 0.00 H new ATOM 0 HA THR A 55 -2.159 9.236 16.210 1.00 0.00 H new ATOM 0 HB THR A 55 -0.002 9.647 16.932 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.951 10.056 14.271 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.528 7.979 15.924 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.108 7.307 16.125 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.446 7.835 14.519 1.00 0.00 H new ATOM 709 N HIS A 56 -1.217 11.445 13.935 1.00 0.00 N ATOM 710 CA HIS A 56 -1.501 12.825 13.485 1.00 0.00 C ATOM 711 C HIS A 56 -2.574 12.787 12.400 1.00 0.00 C ATOM 712 O HIS A 56 -2.657 13.652 11.552 1.00 0.00 O ATOM 713 CB HIS A 56 -0.196 13.466 13.003 1.00 0.00 C ATOM 714 CG HIS A 56 -0.043 13.470 11.499 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.472 14.533 10.718 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.657 12.648 10.655 1.00 0.00 C ATOM 717 CE1 HIS A 56 0.004 14.335 9.472 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.703 13.201 9.380 1.00 0.00 N ATOM 0 H HIS A 56 -0.530 10.937 13.378 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.887 13.436 14.301 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.149 14.492 13.367 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.646 12.932 13.444 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.042 15.319 11.029 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.107 11.708 10.939 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.160 15.013 8.647 1.00 0.00 H new ATOM 726 N LEU A 57 -3.401 11.775 12.436 1.00 0.00 N ATOM 727 CA LEU A 57 -4.484 11.650 11.427 1.00 0.00 C ATOM 728 C LEU A 57 -5.645 10.812 11.992 1.00 0.00 C ATOM 729 O LEU A 57 -6.672 10.679 11.356 1.00 0.00 O ATOM 730 CB LEU A 57 -3.932 10.977 10.168 1.00 0.00 C ATOM 731 CG LEU A 57 -4.336 11.780 8.935 1.00 0.00 C ATOM 732 CD1 LEU A 57 -3.452 11.373 7.755 1.00 0.00 C ATOM 733 CD2 LEU A 57 -5.801 11.495 8.601 1.00 0.00 C ATOM 0 H LEU A 57 -3.369 11.026 13.128 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.855 12.645 11.180 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.846 10.907 10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.313 9.959 10.092 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.211 12.845 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.738 11.945 6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.408 11.575 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.579 10.309 7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.091 12.068 7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.928 10.431 8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.429 11.783 9.444 1.00 0.00 H new ATOM 745 N GLU A 58 -5.511 10.244 13.175 1.00 0.00 N ATOM 746 CA GLU A 58 -6.633 9.432 13.733 1.00 0.00 C ATOM 747 C GLU A 58 -7.958 10.163 13.502 1.00 0.00 C ATOM 748 O GLU A 58 -8.811 9.703 12.768 1.00 0.00 O ATOM 749 CB GLU A 58 -6.428 9.220 15.236 1.00 0.00 C ATOM 750 CG GLU A 58 -5.758 10.453 15.851 1.00 0.00 C ATOM 751 CD GLU A 58 -6.607 10.964 17.017 1.00 0.00 C ATOM 752 OE1 GLU A 58 -7.817 11.018 16.863 1.00 0.00 O ATOM 753 OE2 GLU A 58 -6.034 11.294 18.042 1.00 0.00 O ATOM 0 H GLU A 58 -4.682 10.310 13.766 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.655 8.464 13.232 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.387 9.037 15.720 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.812 8.337 15.407 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.756 10.201 16.199 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.647 11.233 15.098 1.00 0.00 H new ATOM 760 N ASP A 59 -8.138 11.299 14.119 1.00 0.00 N ATOM 761 CA ASP A 59 -9.407 12.058 13.931 1.00 0.00 C ATOM 762 C ASP A 59 -9.132 13.555 14.082 1.00 0.00 C ATOM 763 O ASP A 59 -9.215 14.310 13.133 1.00 0.00 O ATOM 764 CB ASP A 59 -10.425 11.617 14.985 1.00 0.00 C ATOM 765 CG ASP A 59 -11.749 12.346 14.750 1.00 0.00 C ATOM 766 OD1 ASP A 59 -12.433 12.001 13.801 1.00 0.00 O ATOM 767 OD2 ASP A 59 -12.058 13.237 15.525 1.00 0.00 O ATOM 0 H ASP A 59 -7.461 11.734 14.745 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.806 11.860 12.936 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.576 10.539 14.931 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.049 11.837 15.984 1.00 0.00 H new ATOM 772 N ARG A 60 -8.806 13.992 15.268 1.00 0.00 N ATOM 773 CA ARG A 60 -8.525 15.440 15.478 1.00 0.00 C ATOM 774 C ARG A 60 -7.513 15.921 14.437 1.00 0.00 C ATOM 775 O ARG A 60 -6.945 15.081 13.758 1.00 0.00 O ATOM 776 CB ARG A 60 -7.952 15.648 16.881 1.00 0.00 C ATOM 777 CG ARG A 60 -7.831 17.146 17.170 1.00 0.00 C ATOM 778 CD ARG A 60 -7.581 17.358 18.664 1.00 0.00 C ATOM 779 NE ARG A 60 -6.888 18.660 18.873 1.00 0.00 N ATOM 780 CZ ARG A 60 -6.250 18.888 19.989 1.00 0.00 C ATOM 781 NH1 ARG A 60 -5.164 18.221 20.267 1.00 0.00 N ATOM 782 NH2 ARG A 60 -6.700 19.781 20.828 1.00 0.00 N ATOM 783 OXT ARG A 60 -7.323 17.123 14.334 1.00 0.00 O ATOM 0 H ARG A 60 -8.722 13.408 16.100 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.449 16.008 15.374 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.597 15.176 17.622 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.974 15.172 16.960 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.014 17.575 16.589 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.742 17.661 16.866 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.526 17.346 19.207 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.975 16.544 19.061 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.912 19.373 18.144 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.813 17.522 19.613 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.665 18.399 21.139 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.550 20.301 20.612 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.201 19.959 21.700 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.817 12.168 8.077 1.00 0.00 ZN