USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 23:sc= 0.425 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 38 GLN : amide:sc= -2.57! C(o=-2.6!,f=-4!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0027 USER MOD Single : A 49 HIS : no HD1:sc= -3.46! K(o=-3.5!,f=-1.7) USER MOD Single : A 50 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1) USER MOD Single : A 58 HIS : no HD1:sc= -1.48! C(o=-1.5!,f=-6.1!) USER MOD Single : A 59 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.451 11.337 1.169 1.00 0.00 N ATOM 82 CA PRO A 9 -0.518 9.885 0.980 1.00 0.00 C ATOM 83 C PRO A 9 -1.006 9.504 -0.414 1.00 0.00 C ATOM 84 O PRO A 9 -1.730 10.264 -1.058 1.00 0.00 O ATOM 85 CB PRO A 9 -1.527 9.436 2.040 1.00 0.00 C ATOM 86 CG PRO A 9 -2.378 10.634 2.285 1.00 0.00 C ATOM 87 CD PRO A 9 -1.479 11.825 2.103 1.00 0.00 C ATOM 0 HA PRO A 9 0.461 9.416 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.122 8.593 1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.025 9.113 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.215 10.667 1.588 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.800 10.614 3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.020 12.678 1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.043 12.147 3.048 1.00 0.00 H new ATOM 95 N ILE A 10 -0.605 8.323 -0.873 1.00 0.00 N ATOM 96 CA ILE A 10 -1.003 7.841 -2.190 1.00 0.00 C ATOM 97 C ILE A 10 -2.044 6.732 -2.078 1.00 0.00 C ATOM 98 O ILE A 10 -1.782 5.679 -1.498 1.00 0.00 O ATOM 99 CB ILE A 10 0.207 7.316 -2.987 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.287 8.396 -3.086 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.228 6.865 -4.373 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.622 7.871 -3.564 1.00 0.00 C ATOM 0 H ILE A 10 -0.005 7.683 -0.353 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.436 8.690 -2.719 1.00 0.00 H new ATOM 0 HB ILE A 10 0.626 6.457 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.948 9.177 -3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.417 8.860 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.637 6.497 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.966 6.068 -4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.668 7.707 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.340 8.690 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.983 7.111 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.507 7.433 -4.555 1.00 0.00 H new ATOM 114 N GLU A 11 -3.224 6.977 -2.640 1.00 0.00 N ATOM 115 CA GLU A 11 -4.303 5.998 -2.604 1.00 0.00 C ATOM 116 C GLU A 11 -4.060 4.882 -3.615 1.00 0.00 C ATOM 117 O GLU A 11 -4.181 5.087 -4.823 1.00 0.00 O ATOM 118 CB GLU A 11 -5.646 6.676 -2.888 1.00 0.00 C ATOM 119 CG GLU A 11 -6.296 7.281 -1.655 1.00 0.00 C ATOM 120 CD GLU A 11 -7.182 8.466 -1.985 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.325 8.244 -2.436 1.00 0.00 O ATOM 122 OE2 GLU A 11 -6.732 9.615 -1.793 1.00 0.00 O ATOM 0 H GLU A 11 -3.456 7.844 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.329 5.560 -1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.498 7.459 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.327 5.946 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.889 6.518 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.520 7.595 -0.957 1.00 0.00 H new ATOM 129 N ALA A 12 -3.716 3.701 -3.113 1.00 0.00 N ATOM 130 CA ALA A 12 -3.457 2.551 -3.971 1.00 0.00 C ATOM 131 C ALA A 12 -4.578 1.523 -3.865 1.00 0.00 C ATOM 132 O ALA A 12 -5.461 1.640 -3.015 1.00 0.00 O ATOM 133 CB ALA A 12 -2.121 1.917 -3.615 1.00 0.00 C ATOM 0 H ALA A 12 -3.610 3.515 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.417 2.901 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.941 1.060 -4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.324 2.648 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.140 1.588 -2.576 1.00 0.00 H new ATOM 139 N ILE A 13 -4.536 0.517 -4.732 1.00 0.00 N ATOM 140 CA ILE A 13 -5.548 -0.531 -4.735 1.00 0.00 C ATOM 141 C ILE A 13 -4.907 -1.915 -4.732 1.00 0.00 C ATOM 142 O ILE A 13 -3.965 -2.175 -5.480 1.00 0.00 O ATOM 143 CB ILE A 13 -6.480 -0.412 -5.956 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.183 0.947 -5.957 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.499 -1.542 -5.957 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.073 1.168 -4.755 1.00 0.00 C ATOM 0 H ILE A 13 -3.812 0.406 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.136 -0.403 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.880 -0.490 -6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.431 1.736 -5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.782 1.037 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.150 -1.444 -6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.980 -2.500 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.098 -1.493 -5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.538 2.151 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.847 0.401 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.476 1.111 -3.845 1.00 0.00 H new ATOM 158 N ALA A 14 -5.425 -2.800 -3.887 1.00 0.00 N ATOM 159 CA ALA A 14 -4.906 -4.158 -3.790 1.00 0.00 C ATOM 160 C ALA A 14 -5.009 -4.883 -5.128 1.00 0.00 C ATOM 161 O ALA A 14 -6.096 -5.018 -5.690 1.00 0.00 O ATOM 162 CB ALA A 14 -5.648 -4.931 -2.710 1.00 0.00 C ATOM 0 H ALA A 14 -6.204 -2.600 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.852 -4.099 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.250 -5.944 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.518 -4.431 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.709 -4.973 -2.956 1.00 0.00 H new ATOM 168 N LYS A 15 -3.872 -5.347 -5.633 1.00 0.00 N ATOM 169 CA LYS A 15 -3.833 -6.059 -6.905 1.00 0.00 C ATOM 170 C LYS A 15 -4.330 -7.491 -6.742 1.00 0.00 C ATOM 171 O LYS A 15 -5.038 -8.015 -7.603 1.00 0.00 O ATOM 172 CB LYS A 15 -2.410 -6.062 -7.469 1.00 0.00 C ATOM 173 CG LYS A 15 -2.123 -4.899 -8.402 1.00 0.00 C ATOM 174 CD LYS A 15 -2.458 -5.244 -9.843 1.00 0.00 C ATOM 175 CE LYS A 15 -1.263 -5.851 -10.563 1.00 0.00 C ATOM 176 NZ LYS A 15 -0.348 -4.806 -11.098 1.00 0.00 N ATOM 0 H LYS A 15 -2.964 -5.243 -5.181 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.492 -5.542 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.700 -6.037 -6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.242 -6.996 -8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.703 -4.030 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.071 -4.623 -8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.292 -5.945 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.782 -4.345 -10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.715 -6.496 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.613 -6.480 -11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.453 -5.260 -11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.864 -4.205 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.007 -4.221 -10.315 1.00 0.00 H new ATOM 190 N PHE A 16 -3.957 -8.120 -5.633 1.00 0.00 N ATOM 191 CA PHE A 16 -4.366 -9.492 -5.357 1.00 0.00 C ATOM 192 C PHE A 16 -4.383 -9.763 -3.855 1.00 0.00 C ATOM 193 O PHE A 16 -3.489 -9.334 -3.126 1.00 0.00 O ATOM 194 CB PHE A 16 -3.425 -10.477 -6.054 1.00 0.00 C ATOM 195 CG PHE A 16 -2.892 -9.972 -7.364 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.673 -10.014 -8.507 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.609 -9.454 -7.452 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.185 -9.550 -9.714 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.116 -8.989 -8.656 1.00 0.00 C ATOM 200 CZ PHE A 16 -1.905 -9.036 -9.788 1.00 0.00 C ATOM 0 H PHE A 16 -3.372 -7.701 -4.910 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.376 -9.629 -5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.588 -10.698 -5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.954 -11.415 -6.223 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.675 -10.414 -8.455 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.988 -9.414 -6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.804 -9.589 -10.598 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.114 -8.589 -8.712 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.522 -8.672 -10.730 1.00 0.00 H new ATOM 210 N ASP A 17 -5.406 -10.478 -3.401 1.00 0.00 N ATOM 211 CA ASP A 17 -5.541 -10.807 -1.987 1.00 0.00 C ATOM 212 C ASP A 17 -4.182 -11.129 -1.372 1.00 0.00 C ATOM 213 O ASP A 17 -3.570 -12.148 -1.692 1.00 0.00 O ATOM 214 CB ASP A 17 -6.490 -11.992 -1.805 1.00 0.00 C ATOM 215 CG ASP A 17 -6.244 -13.092 -2.819 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.072 -13.296 -3.201 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.222 -13.750 -3.230 1.00 0.00 O ATOM 0 H ASP A 17 -6.154 -10.841 -3.992 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.955 -9.938 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.373 -12.396 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.520 -11.646 -1.892 1.00 0.00 H new ATOM 222 N TYR A 18 -3.716 -10.253 -0.489 1.00 0.00 N ATOM 223 CA TYR A 18 -2.428 -10.442 0.168 1.00 0.00 C ATOM 224 C TYR A 18 -2.594 -10.518 1.682 1.00 0.00 C ATOM 225 O TYR A 18 -3.452 -9.849 2.259 1.00 0.00 O ATOM 226 CB TYR A 18 -1.475 -9.301 -0.195 1.00 0.00 C ATOM 227 CG TYR A 18 -0.066 -9.504 0.316 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.286 -9.135 1.608 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.913 -10.066 -0.494 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.572 -9.317 2.079 1.00 0.00 C ATOM 231 CE2 TYR A 18 2.201 -10.254 -0.031 1.00 0.00 C ATOM 232 CZ TYR A 18 2.526 -9.878 1.255 1.00 0.00 C ATOM 233 OH TYR A 18 3.808 -10.063 1.720 1.00 0.00 O ATOM 0 H TYR A 18 -4.211 -9.405 -0.212 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.006 -11.385 -0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.447 -9.193 -1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.868 -8.368 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.459 -8.698 2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.663 -10.361 -1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.829 -9.022 3.086 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.950 -10.693 -0.673 1.00 0.00 H new ATOM 0 HH TYR A 18 4.356 -10.470 1.016 1.00 0.00 H new ATOM 243 N VAL A 19 -1.767 -11.339 2.321 1.00 0.00 N ATOM 244 CA VAL A 19 -1.820 -11.504 3.769 1.00 0.00 C ATOM 245 C VAL A 19 -0.451 -11.271 4.399 1.00 0.00 C ATOM 246 O VAL A 19 0.484 -12.038 4.178 1.00 0.00 O ATOM 247 CB VAL A 19 -2.319 -12.908 4.157 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.420 -13.979 3.556 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.392 -13.049 5.670 1.00 0.00 C ATOM 0 H VAL A 19 -1.052 -11.901 1.859 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.522 -10.761 4.146 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.323 -13.042 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.788 -14.965 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.424 -13.890 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.403 -13.850 3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.747 -14.047 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.401 -12.895 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.080 -12.306 6.072 1.00 0.00 H new ATOM 259 N GLY A 20 -0.342 -10.205 5.187 1.00 0.00 N ATOM 260 CA GLY A 20 0.916 -9.889 5.838 1.00 0.00 C ATOM 261 C GLY A 20 1.578 -11.112 6.442 1.00 0.00 C ATOM 262 O GLY A 20 1.177 -11.581 7.507 1.00 0.00 O ATOM 0 H GLY A 20 -1.102 -9.555 5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.592 -9.434 5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.742 -9.150 6.620 1.00 0.00 H new ATOM 266 N ARG A 21 2.595 -11.629 5.760 1.00 0.00 N ATOM 267 CA ARG A 21 3.313 -12.806 6.235 1.00 0.00 C ATOM 268 C ARG A 21 3.784 -12.612 7.673 1.00 0.00 C ATOM 269 O ARG A 21 3.727 -13.535 8.487 1.00 0.00 O ATOM 270 CB ARG A 21 4.510 -13.100 5.329 1.00 0.00 C ATOM 271 CG ARG A 21 4.191 -14.047 4.185 1.00 0.00 C ATOM 272 CD ARG A 21 3.955 -15.464 4.684 1.00 0.00 C ATOM 273 NE ARG A 21 5.204 -16.205 4.838 1.00 0.00 N ATOM 274 CZ ARG A 21 5.271 -17.530 4.897 1.00 0.00 C ATOM 275 NH1 ARG A 21 4.165 -18.257 4.814 1.00 0.00 N ATOM 276 NH2 ARG A 21 6.445 -18.132 5.038 1.00 0.00 N ATOM 0 H ARG A 21 2.940 -11.252 4.877 1.00 0.00 H new ATOM 0 HA ARG A 21 2.629 -13.654 6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.883 -12.162 4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.313 -13.527 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.306 -13.694 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.013 -14.044 3.469 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.434 -15.429 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.305 -15.991 3.986 1.00 0.00 H new ATOM 0 HE ARG A 21 6.073 -15.675 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.260 -17.799 4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.219 -19.275 4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.298 -17.577 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.494 -19.150 5.083 1.00 0.00 H new ATOM 290 N THR A 22 4.252 -11.406 7.980 1.00 0.00 N ATOM 291 CA THR A 22 4.735 -11.091 9.318 1.00 0.00 C ATOM 292 C THR A 22 3.969 -9.917 9.917 1.00 0.00 C ATOM 293 O THR A 22 3.353 -9.133 9.195 1.00 0.00 O ATOM 294 CB THR A 22 6.239 -10.757 9.308 1.00 0.00 C ATOM 295 OG1 THR A 22 6.494 -9.677 8.404 1.00 0.00 O ATOM 296 CG2 THR A 22 7.060 -11.971 8.901 1.00 0.00 C ATOM 0 H THR A 22 4.307 -10.631 7.319 1.00 0.00 H new ATOM 0 HA THR A 22 4.571 -11.978 9.930 1.00 0.00 H new ATOM 0 HB THR A 22 6.531 -10.463 10.316 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.452 -9.469 8.404 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.119 -11.711 8.901 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.885 -12.782 9.608 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.765 -12.291 7.902 1.00 0.00 H new ATOM 304 N ALA A 23 4.012 -9.801 11.240 1.00 0.00 N ATOM 305 CA ALA A 23 3.324 -8.721 11.935 1.00 0.00 C ATOM 306 C ALA A 23 3.559 -7.384 11.241 1.00 0.00 C ATOM 307 O ALA A 23 2.632 -6.592 11.068 1.00 0.00 O ATOM 308 CB ALA A 23 3.780 -8.652 13.385 1.00 0.00 C ATOM 0 H ALA A 23 4.516 -10.442 11.852 1.00 0.00 H new ATOM 0 HA ALA A 23 2.255 -8.930 11.911 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.258 -7.841 13.892 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.555 -9.595 13.882 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.854 -8.470 13.420 1.00 0.00 H new ATOM 314 N ARG A 24 4.804 -7.138 10.845 1.00 0.00 N ATOM 315 CA ARG A 24 5.160 -5.896 10.171 1.00 0.00 C ATOM 316 C ARG A 24 4.267 -5.660 8.957 1.00 0.00 C ATOM 317 O ARG A 24 3.662 -4.598 8.817 1.00 0.00 O ATOM 318 CB ARG A 24 6.628 -5.928 9.739 1.00 0.00 C ATOM 319 CG ARG A 24 7.594 -5.499 10.832 1.00 0.00 C ATOM 320 CD ARG A 24 7.531 -3.999 11.073 1.00 0.00 C ATOM 321 NE ARG A 24 8.190 -3.617 12.319 1.00 0.00 N ATOM 322 CZ ARG A 24 8.562 -2.373 12.602 1.00 0.00 C ATOM 323 NH1 ARG A 24 8.341 -1.397 11.733 1.00 0.00 N ATOM 324 NH2 ARG A 24 9.157 -2.105 13.758 1.00 0.00 N ATOM 0 H ARG A 24 5.583 -7.783 10.980 1.00 0.00 H new ATOM 0 HA ARG A 24 5.012 -5.076 10.874 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.881 -6.938 9.418 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.758 -5.277 8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.358 -6.027 11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.609 -5.782 10.554 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.002 -3.478 10.239 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.489 -3.680 11.101 1.00 0.00 H new ATOM 0 HE ARG A 24 8.375 -4.345 13.010 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.884 -1.600 10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.628 -0.443 11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.329 -2.854 14.429 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.443 -1.150 13.975 1.00 0.00 H new ATOM 338 N GLU A 25 4.190 -6.659 8.082 1.00 0.00 N ATOM 339 CA GLU A 25 3.372 -6.559 6.880 1.00 0.00 C ATOM 340 C GLU A 25 1.895 -6.418 7.237 1.00 0.00 C ATOM 341 O GLU A 25 1.512 -6.532 8.402 1.00 0.00 O ATOM 342 CB GLU A 25 3.578 -7.788 5.992 1.00 0.00 C ATOM 343 CG GLU A 25 4.898 -7.780 5.239 1.00 0.00 C ATOM 344 CD GLU A 25 5.093 -6.521 4.416 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.085 -5.964 3.935 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.256 -6.094 4.254 1.00 0.00 O ATOM 0 H GLU A 25 4.684 -7.546 8.184 1.00 0.00 H new ATOM 0 HA GLU A 25 3.683 -5.669 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.527 -8.685 6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.760 -7.848 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.718 -7.875 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.943 -8.649 4.583 1.00 0.00 H new ATOM 353 N LEU A 26 1.069 -6.168 6.227 1.00 0.00 N ATOM 354 CA LEU A 26 -0.367 -6.011 6.433 1.00 0.00 C ATOM 355 C LEU A 26 -1.152 -6.985 5.560 1.00 0.00 C ATOM 356 O LEU A 26 -0.708 -7.357 4.474 1.00 0.00 O ATOM 357 CB LEU A 26 -0.792 -4.574 6.124 1.00 0.00 C ATOM 358 CG LEU A 26 0.006 -3.473 6.823 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.346 -2.111 6.246 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.248 -3.501 8.323 1.00 0.00 C ATOM 0 H LEU A 26 1.369 -6.070 5.257 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.586 -6.231 7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.721 -4.419 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.842 -4.461 6.394 1.00 0.00 H new ATOM 0 HG LEU A 26 1.067 -3.654 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.231 -1.340 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.112 -2.095 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.410 -1.920 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.328 -2.711 8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.310 -3.345 8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.055 -4.468 8.725 1.00 0.00 H new ATOM 372 N SER A 27 -2.322 -7.391 6.041 1.00 0.00 N ATOM 373 CA SER A 27 -3.169 -8.323 5.306 1.00 0.00 C ATOM 374 C SER A 27 -4.394 -7.612 4.738 1.00 0.00 C ATOM 375 O SER A 27 -5.159 -6.987 5.473 1.00 0.00 O ATOM 376 CB SER A 27 -3.608 -9.473 6.215 1.00 0.00 C ATOM 377 OG SER A 27 -4.461 -9.009 7.247 1.00 0.00 O ATOM 0 H SER A 27 -2.705 -7.089 6.937 1.00 0.00 H new ATOM 0 HA SER A 27 -2.588 -8.727 4.477 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.124 -10.230 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.731 -9.951 6.651 1.00 0.00 H new ATOM 0 HG SER A 27 -4.883 -8.169 6.970 1.00 0.00 H new ATOM 383 N PHE A 28 -4.573 -7.712 3.425 1.00 0.00 N ATOM 384 CA PHE A 28 -5.704 -7.078 2.757 1.00 0.00 C ATOM 385 C PHE A 28 -6.288 -7.997 1.688 1.00 0.00 C ATOM 386 O PHE A 28 -5.727 -9.049 1.382 1.00 0.00 O ATOM 387 CB PHE A 28 -5.273 -5.752 2.127 1.00 0.00 C ATOM 388 CG PHE A 28 -3.986 -5.844 1.358 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.976 -6.309 0.053 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.787 -5.465 1.940 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.793 -6.395 -0.658 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.602 -5.548 1.234 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.605 -6.014 -0.066 1.00 0.00 C ATOM 0 H PHE A 28 -3.950 -8.226 2.802 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.474 -6.884 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.061 -5.403 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.165 -5.004 2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.903 -6.608 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.779 -5.101 2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.798 -6.760 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.674 -5.249 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.680 -6.080 -0.619 1.00 0.00 H new ATOM 403 N LYS A 29 -7.419 -7.590 1.122 1.00 0.00 N ATOM 404 CA LYS A 29 -8.082 -8.374 0.086 1.00 0.00 C ATOM 405 C LYS A 29 -8.167 -7.589 -1.219 1.00 0.00 C ATOM 406 O LYS A 29 -8.535 -6.414 -1.226 1.00 0.00 O ATOM 407 CB LYS A 29 -9.485 -8.779 0.542 1.00 0.00 C ATOM 408 CG LYS A 29 -9.488 -9.825 1.644 1.00 0.00 C ATOM 409 CD LYS A 29 -9.255 -9.198 3.009 1.00 0.00 C ATOM 410 CE LYS A 29 -10.556 -8.717 3.631 1.00 0.00 C ATOM 411 NZ LYS A 29 -10.507 -8.752 5.119 1.00 0.00 N ATOM 0 H LYS A 29 -7.896 -6.721 1.363 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.490 -9.273 -0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.014 -7.893 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.039 -9.164 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.442 -10.353 1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.713 -10.566 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.782 -9.926 3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.565 -8.360 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.763 -7.700 3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.378 -9.341 3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.413 -8.417 5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.335 -9.727 5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.739 -8.137 5.456 1.00 0.00 H new ATOM 425 N LYS A 30 -7.826 -8.245 -2.323 1.00 0.00 N ATOM 426 CA LYS A 30 -7.867 -7.610 -3.635 1.00 0.00 C ATOM 427 C LYS A 30 -9.045 -6.647 -3.737 1.00 0.00 C ATOM 428 O LYS A 30 -10.188 -7.019 -3.475 1.00 0.00 O ATOM 429 CB LYS A 30 -7.965 -8.670 -4.734 1.00 0.00 C ATOM 430 CG LYS A 30 -8.176 -8.090 -6.122 1.00 0.00 C ATOM 431 CD LYS A 30 -8.082 -9.162 -7.195 1.00 0.00 C ATOM 432 CE LYS A 30 -8.421 -8.605 -8.569 1.00 0.00 C ATOM 433 NZ LYS A 30 -8.246 -9.626 -9.640 1.00 0.00 N ATOM 0 H LYS A 30 -7.518 -9.217 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.945 -7.043 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.053 -9.267 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.788 -9.346 -4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.153 -7.609 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.431 -7.318 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.075 -9.578 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.762 -9.980 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.451 -8.248 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.785 -7.745 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.487 -9.208 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.257 -9.948 -9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.872 -10.436 -9.453 1.00 0.00 H new ATOM 447 N GLY A 31 -8.759 -5.407 -4.121 1.00 0.00 N ATOM 448 CA GLY A 31 -9.805 -4.410 -4.252 1.00 0.00 C ATOM 449 C GLY A 31 -9.837 -3.446 -3.083 1.00 0.00 C ATOM 450 O GLY A 31 -10.115 -2.259 -3.256 1.00 0.00 O ATOM 0 H GLY A 31 -7.821 -5.075 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.656 -3.851 -5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.770 -4.909 -4.334 1.00 0.00 H new ATOM 454 N ALA A 32 -9.554 -3.956 -1.889 1.00 0.00 N ATOM 455 CA ALA A 32 -9.551 -3.131 -0.687 1.00 0.00 C ATOM 456 C ALA A 32 -8.649 -1.913 -0.859 1.00 0.00 C ATOM 457 O ALA A 32 -7.496 -2.036 -1.270 1.00 0.00 O ATOM 458 CB ALA A 32 -9.108 -3.952 0.515 1.00 0.00 C ATOM 0 H ALA A 32 -9.324 -4.937 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.568 -2.777 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.110 -3.324 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.794 -4.787 0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.102 -4.334 0.343 1.00 0.00 H new ATOM 464 N SER A 33 -9.183 -0.738 -0.542 1.00 0.00 N ATOM 465 CA SER A 33 -8.428 0.503 -0.666 1.00 0.00 C ATOM 466 C SER A 33 -7.317 0.569 0.378 1.00 0.00 C ATOM 467 O SER A 33 -7.553 0.351 1.567 1.00 0.00 O ATOM 468 CB SER A 33 -9.358 1.708 -0.515 1.00 0.00 C ATOM 469 OG SER A 33 -8.649 2.924 -0.679 1.00 0.00 O ATOM 0 H SER A 33 -10.136 -0.619 -0.197 1.00 0.00 H new ATOM 0 HA SER A 33 -7.974 0.526 -1.657 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.158 1.648 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.828 1.687 0.468 1.00 0.00 H new ATOM 0 HG SER A 33 -9.266 3.679 -0.580 1.00 0.00 H new ATOM 475 N LEU A 34 -6.106 0.872 -0.076 1.00 0.00 N ATOM 476 CA LEU A 34 -4.956 0.968 0.818 1.00 0.00 C ATOM 477 C LEU A 34 -4.275 2.326 0.685 1.00 0.00 C ATOM 478 O LEU A 34 -4.064 2.821 -0.423 1.00 0.00 O ATOM 479 CB LEU A 34 -3.956 -0.149 0.515 1.00 0.00 C ATOM 480 CG LEU A 34 -4.547 -1.548 0.331 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.657 -2.388 -0.572 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.737 -2.228 1.679 1.00 0.00 C ATOM 0 H LEU A 34 -5.894 1.055 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.313 0.860 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.410 0.115 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.228 -0.188 1.326 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.523 -1.450 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.093 -3.380 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.572 -1.909 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.667 -2.478 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.158 -3.222 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.774 -2.314 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.415 -1.635 2.293 1.00 0.00 H new ATOM 494 N LEU A 35 -3.931 2.923 1.821 1.00 0.00 N ATOM 495 CA LEU A 35 -3.270 4.223 1.832 1.00 0.00 C ATOM 496 C LEU A 35 -1.759 4.066 1.966 1.00 0.00 C ATOM 497 O LEU A 35 -1.277 3.220 2.721 1.00 0.00 O ATOM 498 CB LEU A 35 -3.809 5.081 2.978 1.00 0.00 C ATOM 499 CG LEU A 35 -3.828 6.591 2.736 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.966 6.966 1.799 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.950 7.341 4.054 1.00 0.00 C ATOM 0 H LEU A 35 -4.099 2.527 2.746 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.482 4.718 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.825 4.756 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.209 4.883 3.866 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.887 6.877 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.964 8.044 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.834 6.456 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.916 6.667 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.962 8.414 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.875 7.051 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.101 7.096 4.692 1.00 0.00 H new ATOM 513 N LEU A 36 -1.016 4.886 1.231 1.00 0.00 N ATOM 514 CA LEU A 36 0.441 4.840 1.269 1.00 0.00 C ATOM 515 C LEU A 36 1.015 6.157 1.782 1.00 0.00 C ATOM 516 O LEU A 36 0.538 7.234 1.424 1.00 0.00 O ATOM 517 CB LEU A 36 0.998 4.535 -0.122 1.00 0.00 C ATOM 518 CG LEU A 36 0.487 3.255 -0.785 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.260 2.970 -2.063 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.590 2.080 0.176 1.00 0.00 C ATOM 0 H LEU A 36 -1.399 5.591 0.601 1.00 0.00 H new ATOM 0 HA LEU A 36 0.737 4.045 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.767 5.376 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.084 4.475 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.562 3.397 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.882 2.056 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.135 3.801 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.318 2.849 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.222 1.177 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.631 1.937 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.009 2.282 1.064 1.00 0.00 H new ATOM 532 N TYR A 37 2.041 6.063 2.620 1.00 0.00 N ATOM 533 CA TYR A 37 2.680 7.247 3.182 1.00 0.00 C ATOM 534 C TYR A 37 4.105 7.398 2.658 1.00 0.00 C ATOM 535 O TYR A 37 4.500 8.471 2.205 1.00 0.00 O ATOM 536 CB TYR A 37 2.691 7.169 4.709 1.00 0.00 C ATOM 537 CG TYR A 37 1.311 7.093 5.322 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.307 7.971 4.932 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.011 6.145 6.292 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.955 7.906 5.490 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.248 6.071 6.854 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.228 6.954 6.450 1.00 0.00 C ATOM 543 OH TYR A 37 -2.484 6.885 7.008 1.00 0.00 O ATOM 0 H TYR A 37 2.448 5.179 2.925 1.00 0.00 H new ATOM 0 HA TYR A 37 2.105 8.120 2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.264 6.294 5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.208 8.043 5.105 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.517 8.717 4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.776 5.453 6.612 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.724 8.597 5.176 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.464 5.326 7.606 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.510 6.159 7.666 1.00 0.00 H new ATOM 553 N GLN A 38 4.870 6.313 2.724 1.00 0.00 N ATOM 554 CA GLN A 38 6.251 6.324 2.257 1.00 0.00 C ATOM 555 C GLN A 38 6.607 5.005 1.578 1.00 0.00 C ATOM 556 O GLN A 38 5.855 4.034 1.655 1.00 0.00 O ATOM 557 CB GLN A 38 7.205 6.583 3.425 1.00 0.00 C ATOM 558 CG GLN A 38 8.473 7.318 3.023 1.00 0.00 C ATOM 559 CD GLN A 38 9.597 6.376 2.639 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.731 5.289 3.201 1.00 0.00 O ATOM 561 NE2 GLN A 38 10.413 6.788 1.675 1.00 0.00 N ATOM 0 H GLN A 38 4.557 5.416 3.096 1.00 0.00 H new ATOM 0 HA GLN A 38 6.354 7.127 1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.684 7.164 4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.476 5.630 3.880 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.255 7.978 2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.800 7.950 3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.266 7.697 1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.187 6.196 1.374 1.00 0.00 H new ATOM 570 N ARG A 39 7.757 4.979 0.914 1.00 0.00 N ATOM 571 CA ARG A 39 8.212 3.780 0.220 1.00 0.00 C ATOM 572 C ARG A 39 9.315 3.080 1.009 1.00 0.00 C ATOM 573 O ARG A 39 10.488 3.438 0.906 1.00 0.00 O ATOM 574 CB ARG A 39 8.718 4.135 -1.179 1.00 0.00 C ATOM 575 CG ARG A 39 9.125 2.926 -2.005 1.00 0.00 C ATOM 576 CD ARG A 39 7.949 2.366 -2.790 1.00 0.00 C ATOM 577 NE ARG A 39 8.373 1.387 -3.788 1.00 0.00 N ATOM 578 CZ ARG A 39 8.852 1.716 -4.982 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.969 2.991 -5.326 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.217 0.768 -5.836 1.00 0.00 N ATOM 0 H ARG A 39 8.391 5.775 0.842 1.00 0.00 H new ATOM 0 HA ARG A 39 7.365 3.100 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.939 4.681 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.572 4.806 -1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.923 3.206 -2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.526 2.154 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.243 1.900 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.421 3.182 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 39 8.297 0.397 -3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.691 3.723 -4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.337 3.240 -6.244 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.130 -0.214 -5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.585 1.022 -6.753 1.00 0.00 H new ATOM 594 N ALA A 40 8.929 2.082 1.797 1.00 0.00 N ATOM 595 CA ALA A 40 9.885 1.331 2.602 1.00 0.00 C ATOM 596 C ALA A 40 10.982 0.728 1.731 1.00 0.00 C ATOM 597 O ALA A 40 12.155 0.727 2.105 1.00 0.00 O ATOM 598 CB ALA A 40 9.172 0.240 3.387 1.00 0.00 C ATOM 0 H ALA A 40 7.961 1.775 1.895 1.00 0.00 H new ATOM 0 HA ALA A 40 10.353 2.021 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.898 -0.313 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.430 0.691 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.677 -0.441 2.695 1.00 0.00 H new ATOM 604 N SER A 41 10.593 0.215 0.568 1.00 0.00 N ATOM 605 CA SER A 41 11.543 -0.396 -0.354 1.00 0.00 C ATOM 606 C SER A 41 10.918 -0.582 -1.733 1.00 0.00 C ATOM 607 O SER A 41 9.699 -0.514 -1.889 1.00 0.00 O ATOM 608 CB SER A 41 12.019 -1.744 0.190 1.00 0.00 C ATOM 609 OG SER A 41 13.128 -2.229 -0.548 1.00 0.00 O ATOM 0 H SER A 41 9.626 0.210 0.242 1.00 0.00 H new ATOM 0 HA SER A 41 12.400 0.271 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.294 -1.639 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.204 -2.466 0.145 1.00 0.00 H new ATOM 0 HG SER A 41 13.414 -3.091 -0.180 1.00 0.00 H new ATOM 615 N ASP A 42 11.763 -0.819 -2.731 1.00 0.00 N ATOM 616 CA ASP A 42 11.295 -1.017 -4.098 1.00 0.00 C ATOM 617 C ASP A 42 10.191 -2.068 -4.147 1.00 0.00 C ATOM 618 O ASP A 42 9.315 -2.023 -5.012 1.00 0.00 O ATOM 619 CB ASP A 42 12.456 -1.435 -5.001 1.00 0.00 C ATOM 620 CG ASP A 42 13.084 -2.745 -4.567 1.00 0.00 C ATOM 621 OD1 ASP A 42 13.320 -2.916 -3.353 1.00 0.00 O ATOM 622 OD2 ASP A 42 13.341 -3.599 -5.442 1.00 0.00 O ATOM 0 H ASP A 42 12.775 -0.879 -2.619 1.00 0.00 H new ATOM 0 HA ASP A 42 10.888 -0.072 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.099 -1.529 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.215 -0.653 -4.998 1.00 0.00 H new ATOM 627 N ASP A 43 10.240 -3.014 -3.216 1.00 0.00 N ATOM 628 CA ASP A 43 9.243 -4.077 -3.153 1.00 0.00 C ATOM 629 C ASP A 43 8.459 -4.010 -1.847 1.00 0.00 C ATOM 630 O ASP A 43 7.973 -5.026 -1.351 1.00 0.00 O ATOM 631 CB ASP A 43 9.916 -5.444 -3.289 1.00 0.00 C ATOM 632 CG ASP A 43 9.009 -6.474 -3.934 1.00 0.00 C ATOM 633 OD1 ASP A 43 7.871 -6.647 -3.450 1.00 0.00 O ATOM 634 OD2 ASP A 43 9.438 -7.107 -4.921 1.00 0.00 O ATOM 0 H ASP A 43 10.959 -3.067 -2.495 1.00 0.00 H new ATOM 0 HA ASP A 43 8.547 -3.939 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.824 -5.341 -3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.218 -5.797 -2.303 1.00 0.00 H new ATOM 639 N TRP A 44 8.340 -2.808 -1.295 1.00 0.00 N ATOM 640 CA TRP A 44 7.616 -2.609 -0.045 1.00 0.00 C ATOM 641 C TRP A 44 7.131 -1.169 0.080 1.00 0.00 C ATOM 642 O TRP A 44 7.597 -0.283 -0.638 1.00 0.00 O ATOM 643 CB TRP A 44 8.505 -2.966 1.147 1.00 0.00 C ATOM 644 CG TRP A 44 8.801 -4.431 1.250 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.027 -5.028 1.168 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.853 -5.485 1.451 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.898 -6.389 1.306 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.575 -6.694 1.482 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.465 -5.524 1.610 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.953 -7.927 1.664 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.850 -6.749 1.791 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.594 -7.936 1.818 1.00 0.00 C ATOM 0 H TRP A 44 8.736 -1.956 -1.693 1.00 0.00 H new ATOM 0 HA TRP A 44 6.747 -3.266 -0.050 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.444 -2.418 1.068 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.019 -2.635 2.065 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.961 -4.507 1.017 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.664 -7.063 1.281 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.884 -4.614 1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.524 -8.844 1.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.778 -6.792 1.914 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.084 -8.877 1.963 1.00 0.00 H new ATOM 663 N TRP A 45 6.195 -0.941 0.994 1.00 0.00 N ATOM 664 CA TRP A 45 5.647 0.393 1.212 1.00 0.00 C ATOM 665 C TRP A 45 5.317 0.612 2.684 1.00 0.00 C ATOM 666 O TRP A 45 5.299 -0.333 3.472 1.00 0.00 O ATOM 667 CB TRP A 45 4.394 0.598 0.359 1.00 0.00 C ATOM 668 CG TRP A 45 4.697 0.954 -1.065 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.003 0.091 -2.078 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.724 2.268 -1.633 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.219 0.790 -3.242 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.053 2.127 -2.995 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.500 3.550 -1.124 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.164 3.219 -3.851 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.611 4.633 -1.974 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.940 4.463 -3.326 1.00 0.00 C ATOM 0 H TRP A 45 5.799 -1.663 1.596 1.00 0.00 H new ATOM 0 HA TRP A 45 6.402 1.122 0.916 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.796 -0.313 0.379 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.787 1.387 0.802 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.066 -0.983 -1.979 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.463 0.380 -4.143 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.245 3.691 -0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.418 3.089 -4.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.441 5.628 -1.590 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.018 5.330 -3.965 1.00 0.00 H new ATOM 687 N GLU A 46 5.056 1.864 3.048 1.00 0.00 N ATOM 688 CA GLU A 46 4.726 2.205 4.427 1.00 0.00 C ATOM 689 C GLU A 46 3.427 3.003 4.494 1.00 0.00 C ATOM 690 O GLU A 46 3.421 4.216 4.294 1.00 0.00 O ATOM 691 CB GLU A 46 5.864 3.006 5.063 1.00 0.00 C ATOM 692 CG GLU A 46 7.172 2.238 5.156 1.00 0.00 C ATOM 693 CD GLU A 46 8.016 2.665 6.341 1.00 0.00 C ATOM 694 OE1 GLU A 46 7.442 3.174 7.326 1.00 0.00 O ATOM 695 OE2 GLU A 46 9.251 2.490 6.283 1.00 0.00 O ATOM 0 H GLU A 46 5.067 2.658 2.408 1.00 0.00 H new ATOM 0 HA GLU A 46 4.590 1.277 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.026 3.914 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.563 3.317 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.958 1.172 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.741 2.384 4.238 1.00 0.00 H new ATOM 702 N GLY A 47 2.328 2.310 4.779 1.00 0.00 N ATOM 703 CA GLY A 47 1.039 2.969 4.867 1.00 0.00 C ATOM 704 C GLY A 47 0.196 2.444 6.013 1.00 0.00 C ATOM 705 O GLY A 47 0.728 2.010 7.035 1.00 0.00 O ATOM 0 H GLY A 47 2.308 1.305 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.190 4.041 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.499 2.831 3.930 1.00 0.00 H new ATOM 709 N ARG A 48 -1.121 2.484 5.843 1.00 0.00 N ATOM 710 CA ARG A 48 -2.039 2.010 6.873 1.00 0.00 C ATOM 711 C ARG A 48 -3.168 1.189 6.258 1.00 0.00 C ATOM 712 O ARG A 48 -3.595 1.445 5.132 1.00 0.00 O ATOM 713 CB ARG A 48 -2.618 3.192 7.652 1.00 0.00 C ATOM 714 CG ARG A 48 -3.721 2.800 8.622 1.00 0.00 C ATOM 715 CD ARG A 48 -4.598 3.990 8.978 1.00 0.00 C ATOM 716 NE ARG A 48 -5.723 4.135 8.059 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.358 5.283 7.849 1.00 0.00 C ATOM 718 NH1 ARG A 48 -5.979 6.381 8.489 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.373 5.336 6.996 1.00 0.00 N ATOM 0 H ARG A 48 -1.577 2.839 5.003 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.481 1.372 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.815 3.680 8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.010 3.925 6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.334 2.014 8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.280 2.387 9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.973 3.872 9.995 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.998 4.900 8.963 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.039 3.309 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.198 6.345 9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.468 7.261 8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.667 4.494 6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.859 6.218 6.836 1.00 0.00 H new ATOM 733 N HIS A 49 -3.648 0.200 7.006 1.00 0.00 N ATOM 734 CA HIS A 49 -4.729 -0.660 6.535 1.00 0.00 C ATOM 735 C HIS A 49 -5.726 -0.941 7.655 1.00 0.00 C ATOM 736 O HIS A 49 -5.388 -1.571 8.656 1.00 0.00 O ATOM 737 CB HIS A 49 -4.164 -1.974 5.996 1.00 0.00 C ATOM 738 CG HIS A 49 -5.213 -3.007 5.720 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.423 -4.102 6.531 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.115 -3.107 4.715 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.408 -4.831 6.036 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.845 -4.249 4.934 1.00 0.00 N ATOM 0 H HIS A 49 -3.306 -0.026 7.940 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.251 -0.141 5.731 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.612 -1.773 5.078 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.450 -2.376 6.715 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.237 -2.417 3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.791 -5.747 6.461 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.602 -4.592 4.342 1.00 0.00 H new ATOM 751 N ASN A 50 -6.956 -0.469 7.478 1.00 0.00 N ATOM 752 CA ASN A 50 -8.002 -0.669 8.474 1.00 0.00 C ATOM 753 C ASN A 50 -7.536 -0.211 9.852 1.00 0.00 C ATOM 754 O ASN A 50 -7.895 -0.802 10.869 1.00 0.00 O ATOM 755 CB ASN A 50 -8.411 -2.142 8.526 1.00 0.00 C ATOM 756 CG ASN A 50 -9.429 -2.498 7.459 1.00 0.00 C ATOM 757 OD1 ASN A 50 -9.683 -1.716 6.543 1.00 0.00 O ATOM 758 ND2 ASN A 50 -10.018 -3.682 7.574 1.00 0.00 N ATOM 0 H ASN A 50 -7.252 0.054 6.654 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.864 -0.069 8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.526 -2.766 8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.825 -2.367 9.509 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.712 -3.975 6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.777 -4.299 8.350 1.00 0.00 H new ATOM 765 N GLY A 51 -6.732 0.849 9.877 1.00 0.00 N ATOM 766 CA GLY A 51 -6.230 1.369 11.136 1.00 0.00 C ATOM 767 C GLY A 51 -5.022 0.603 11.639 1.00 0.00 C ATOM 768 O GLY A 51 -4.833 0.454 12.847 1.00 0.00 O ATOM 0 H GLY A 51 -6.420 1.356 9.049 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.965 2.419 11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.021 1.326 11.885 1.00 0.00 H new ATOM 772 N ILE A 52 -4.205 0.116 10.712 1.00 0.00 N ATOM 773 CA ILE A 52 -3.010 -0.639 11.069 1.00 0.00 C ATOM 774 C ILE A 52 -1.814 -0.205 10.229 1.00 0.00 C ATOM 775 O ILE A 52 -1.829 -0.321 9.003 1.00 0.00 O ATOM 776 CB ILE A 52 -3.226 -2.153 10.890 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.461 -2.610 11.670 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.994 -2.922 11.343 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.875 -4.033 11.367 1.00 0.00 C ATOM 0 H ILE A 52 -4.348 0.230 9.709 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.808 -0.431 12.120 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.390 -2.358 9.832 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.261 -2.518 12.738 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.292 -1.942 11.443 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.163 -3.991 11.210 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.134 -2.614 10.749 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.801 -2.713 12.395 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.756 -4.289 11.955 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.107 -4.126 10.306 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.060 -4.711 11.621 1.00 0.00 H new ATOM 791 N ASP A 53 -0.779 0.293 10.896 1.00 0.00 N ATOM 792 CA ASP A 53 0.428 0.742 10.211 1.00 0.00 C ATOM 793 C ASP A 53 1.420 -0.406 10.050 1.00 0.00 C ATOM 794 O ASP A 53 1.771 -1.077 11.020 1.00 0.00 O ATOM 795 CB ASP A 53 1.079 1.892 10.981 1.00 0.00 C ATOM 796 CG ASP A 53 1.998 1.404 12.084 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.492 0.797 13.051 1.00 0.00 O ATOM 798 OD2 ASP A 53 3.222 1.629 11.980 1.00 0.00 O ATOM 0 H ASP A 53 -0.751 0.396 11.910 1.00 0.00 H new ATOM 0 HA ASP A 53 0.144 1.094 9.219 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.646 2.514 10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.302 2.523 11.412 1.00 0.00 H new ATOM 803 N GLY A 54 1.869 -0.626 8.818 1.00 0.00 N ATOM 804 CA GLY A 54 2.815 -1.694 8.553 1.00 0.00 C ATOM 805 C GLY A 54 3.431 -1.593 7.171 1.00 0.00 C ATOM 806 O GLY A 54 3.593 -0.497 6.634 1.00 0.00 O ATOM 0 H GLY A 54 1.594 -0.084 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.606 -1.669 9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.311 -2.655 8.653 1.00 0.00 H new ATOM 810 N LEU A 55 3.775 -2.739 6.594 1.00 0.00 N ATOM 811 CA LEU A 55 4.378 -2.776 5.266 1.00 0.00 C ATOM 812 C LEU A 55 3.366 -3.236 4.222 1.00 0.00 C ATOM 813 O LEU A 55 2.430 -3.973 4.532 1.00 0.00 O ATOM 814 CB LEU A 55 5.592 -3.706 5.262 1.00 0.00 C ATOM 815 CG LEU A 55 6.857 -3.163 5.928 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.943 -4.226 5.958 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.347 -1.917 5.206 1.00 0.00 C ATOM 0 H LEU A 55 3.647 -3.655 7.025 1.00 0.00 H new ATOM 0 HA LEU A 55 4.701 -1.767 5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.314 -4.635 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.829 -3.957 4.228 1.00 0.00 H new ATOM 0 HG LEU A 55 6.615 -2.891 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.835 -3.821 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.591 -5.090 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.183 -4.530 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.248 -1.544 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.571 -2.163 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.573 -1.150 5.238 1.00 0.00 H new ATOM 829 N ILE A 56 3.563 -2.799 2.982 1.00 0.00 N ATOM 830 CA ILE A 56 2.670 -3.169 1.892 1.00 0.00 C ATOM 831 C ILE A 56 3.456 -3.530 0.636 1.00 0.00 C ATOM 832 O ILE A 56 4.324 -2.785 0.181 1.00 0.00 O ATOM 833 CB ILE A 56 1.687 -2.031 1.558 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.710 -1.815 2.716 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.933 -2.341 0.274 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.169 -0.405 2.796 1.00 0.00 C ATOM 0 H ILE A 56 4.333 -2.189 2.708 1.00 0.00 H new ATOM 0 HA ILE A 56 2.106 -4.039 2.228 1.00 0.00 H new ATOM 0 HB ILE A 56 2.255 -1.113 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.123 -2.510 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.211 -2.057 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.243 -1.527 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.642 -2.450 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.374 -3.269 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.516 -0.326 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.994 0.294 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.361 -0.166 1.874 1.00 0.00 H new ATOM 848 N PRO A 57 3.145 -4.701 0.060 1.00 0.00 N ATOM 849 CA PRO A 57 3.809 -5.188 -1.153 1.00 0.00 C ATOM 850 C PRO A 57 3.436 -4.370 -2.385 1.00 0.00 C ATOM 851 O PRO A 57 2.267 -4.047 -2.598 1.00 0.00 O ATOM 852 CB PRO A 57 3.295 -6.623 -1.288 1.00 0.00 C ATOM 853 CG PRO A 57 1.983 -6.623 -0.581 1.00 0.00 C ATOM 854 CD PRO A 57 2.121 -5.640 0.548 1.00 0.00 C ATOM 0 HA PRO A 57 4.894 -5.115 -1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.181 -6.906 -2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.987 -7.335 -0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.177 -6.333 -1.255 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.742 -7.617 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.179 -5.134 0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.432 -6.129 1.471 1.00 0.00 H new ATOM 862 N HIS A 58 4.437 -4.040 -3.195 1.00 0.00 N ATOM 863 CA HIS A 58 4.214 -3.261 -4.408 1.00 0.00 C ATOM 864 C HIS A 58 3.734 -4.155 -5.548 1.00 0.00 C ATOM 865 O HIS A 58 3.365 -3.669 -6.616 1.00 0.00 O ATOM 866 CB HIS A 58 5.497 -2.537 -4.818 1.00 0.00 C ATOM 867 CG HIS A 58 5.345 -1.701 -6.052 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.215 -0.329 -6.020 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.304 -2.052 -7.359 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.100 0.129 -7.254 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.151 -0.897 -8.085 1.00 0.00 N ATOM 0 H HIS A 58 5.410 -4.300 -3.033 1.00 0.00 H new ATOM 0 HA HIS A 58 3.440 -2.523 -4.198 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.824 -1.900 -3.996 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.283 -3.274 -4.983 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.378 -3.054 -7.756 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.984 1.165 -7.535 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.087 -0.840 -9.101 1.00 0.00 H new ATOM 879 N GLN A 59 3.744 -5.463 -5.311 1.00 0.00 N ATOM 880 CA GLN A 59 3.312 -6.424 -6.319 1.00 0.00 C ATOM 881 C GLN A 59 1.817 -6.703 -6.199 1.00 0.00 C ATOM 882 O GLN A 59 1.158 -7.045 -7.181 1.00 0.00 O ATOM 883 CB GLN A 59 4.099 -7.728 -6.182 1.00 0.00 C ATOM 884 CG GLN A 59 5.576 -7.584 -6.512 1.00 0.00 C ATOM 885 CD GLN A 59 5.814 -7.140 -7.942 1.00 0.00 C ATOM 886 OE1 GLN A 59 6.330 -6.050 -8.188 1.00 0.00 O ATOM 887 NE2 GLN A 59 5.438 -7.985 -8.895 1.00 0.00 N ATOM 0 H GLN A 59 4.046 -5.881 -4.431 1.00 0.00 H new ATOM 0 HA GLN A 59 3.505 -5.994 -7.302 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.997 -8.099 -5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.660 -8.479 -6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.028 -6.862 -5.832 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.077 -8.537 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.014 -8.879 -8.646 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.573 -7.740 -9.876 1.00 0.00 H new ATOM 896 N TYR A 60 1.289 -6.557 -4.989 1.00 0.00 N ATOM 897 CA TYR A 60 -0.128 -6.796 -4.739 1.00 0.00 C ATOM 898 C TYR A 60 -0.870 -5.483 -4.507 1.00 0.00 C ATOM 899 O TYR A 60 -1.854 -5.436 -3.769 1.00 0.00 O ATOM 900 CB TYR A 60 -0.305 -7.716 -3.530 1.00 0.00 C ATOM 901 CG TYR A 60 0.337 -9.074 -3.702 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.719 -9.211 -3.737 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.439 -10.220 -3.829 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.310 -10.450 -3.895 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.144 -11.463 -3.985 1.00 0.00 C ATOM 906 CZ TYR A 60 1.518 -11.572 -4.019 1.00 0.00 C ATOM 907 OH TYR A 60 2.103 -12.808 -4.175 1.00 0.00 O ATOM 0 H TYR A 60 1.821 -6.274 -4.166 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.550 -7.279 -5.620 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.120 -7.232 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.370 -7.849 -3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.342 -8.334 -3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.516 -10.138 -3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.386 -10.539 -3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.473 -12.344 -4.080 1.00 0.00 H new ATOM 0 HH TYR A 60 1.406 -13.493 -4.247 1.00 0.00 H new ATOM 917 N ILE A 61 -0.391 -4.420 -5.145 1.00 0.00 N ATOM 918 CA ILE A 61 -1.009 -3.107 -5.010 1.00 0.00 C ATOM 919 C ILE A 61 -0.677 -2.218 -6.204 1.00 0.00 C ATOM 920 O ILE A 61 0.334 -2.418 -6.878 1.00 0.00 O ATOM 921 CB ILE A 61 -0.556 -2.402 -3.718 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.933 -2.058 -3.793 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.842 -3.279 -2.508 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.210 -0.705 -4.412 1.00 0.00 C ATOM 0 H ILE A 61 0.422 -4.443 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.086 -3.268 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.119 -1.475 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.354 -2.082 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.446 -2.826 -4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.516 -2.767 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.912 -3.478 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.303 -4.221 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.285 -0.528 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.819 -0.683 -5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.726 0.072 -3.820 1.00 0.00 H new ATOM 936 N VAL A 62 -1.534 -1.235 -6.459 1.00 0.00 N ATOM 937 CA VAL A 62 -1.331 -0.313 -7.570 1.00 0.00 C ATOM 938 C VAL A 62 -1.180 1.121 -7.074 1.00 0.00 C ATOM 939 O VAL A 62 -2.163 1.777 -6.729 1.00 0.00 O ATOM 940 CB VAL A 62 -2.497 -0.377 -8.573 1.00 0.00 C ATOM 941 CG1 VAL A 62 -2.283 0.615 -9.706 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.657 -1.790 -9.114 1.00 0.00 C ATOM 0 H VAL A 62 -2.376 -1.056 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.413 -0.620 -8.071 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.416 -0.105 -8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.117 0.555 -10.405 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.222 1.624 -9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.356 0.378 -10.227 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.486 -1.817 -9.822 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.739 -2.093 -9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.861 -2.474 -8.290 1.00 0.00 H new ATOM 952 N VAL A 63 0.059 1.602 -7.041 1.00 0.00 N ATOM 953 CA VAL A 63 0.339 2.960 -6.588 1.00 0.00 C ATOM 954 C VAL A 63 -0.112 3.987 -7.620 1.00 0.00 C ATOM 955 O VAL A 63 0.582 4.237 -8.605 1.00 0.00 O ATOM 956 CB VAL A 63 1.840 3.158 -6.304 1.00 0.00 C ATOM 957 CG1 VAL A 63 2.119 4.591 -5.878 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.316 2.176 -5.244 1.00 0.00 C ATOM 0 H VAL A 63 0.884 1.072 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.221 3.108 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 63 2.394 2.963 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.184 4.711 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.817 5.272 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.556 4.818 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.379 2.330 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.757 2.337 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.154 1.156 -5.593 1.00 0.00 H new