USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=8 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 26:sc= 1.33 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 5:sc= 0.544! USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0201) 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= -0.0429 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0574 USER MOD Single : A 49 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-0.68) USER MOD Single : A 50 ASN : amide:sc= -0.883 X(o=-0.88,f=-0.57) USER MOD Single : A 58 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-5.9!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.693 11.470 1.050 1.00 0.00 N ATOM 82 CA PRO A 9 -0.538 10.033 0.805 1.00 0.00 C ATOM 83 C PRO A 9 -1.013 9.628 -0.587 1.00 0.00 C ATOM 84 O PRO A 9 -1.696 10.394 -1.267 1.00 0.00 O ATOM 85 CB PRO A 9 -1.421 9.392 1.879 1.00 0.00 C ATOM 86 CG PRO A 9 -2.440 10.430 2.199 1.00 0.00 C ATOM 87 CD PRO A 9 -1.748 11.755 2.037 1.00 0.00 C ATOM 0 HA PRO A 9 0.506 9.722 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.888 8.478 1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.840 9.123 2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.298 10.354 1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.816 10.308 3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.433 12.525 1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.331 12.109 2.980 1.00 0.00 H new ATOM 95 N ILE A 10 -0.648 8.420 -1.003 1.00 0.00 N ATOM 96 CA ILE A 10 -1.039 7.914 -2.313 1.00 0.00 C ATOM 97 C ILE A 10 -2.039 6.770 -2.184 1.00 0.00 C ATOM 98 O ILE A 10 -1.736 5.731 -1.599 1.00 0.00 O ATOM 99 CB ILE A 10 0.181 7.426 -3.115 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.245 8.524 -3.187 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.240 6.998 -4.513 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.595 8.028 -3.655 1.00 0.00 C ATOM 0 H ILE A 10 -0.083 7.774 -0.452 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.505 8.743 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 10 0.610 6.563 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.901 9.308 -3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.355 8.977 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.634 6.656 -5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.965 6.187 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.691 7.844 -5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.299 8.860 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.961 7.265 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.500 7.601 -4.653 1.00 0.00 H new ATOM 114 N GLU A 11 -3.232 6.968 -2.737 1.00 0.00 N ATOM 115 CA GLU A 11 -4.276 5.952 -2.684 1.00 0.00 C ATOM 116 C GLU A 11 -4.001 4.836 -3.688 1.00 0.00 C ATOM 117 O GLU A 11 -4.084 5.042 -4.899 1.00 0.00 O ATOM 118 CB GLU A 11 -5.644 6.579 -2.964 1.00 0.00 C ATOM 119 CG GLU A 11 -6.310 7.163 -1.729 1.00 0.00 C ATOM 120 CD GLU A 11 -7.249 8.307 -2.059 1.00 0.00 C ATOM 121 OE1 GLU A 11 -6.948 9.070 -3.000 1.00 0.00 O ATOM 122 OE2 GLU A 11 -8.285 8.439 -1.375 1.00 0.00 O ATOM 0 H GLU A 11 -3.499 7.822 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.279 5.523 -1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.528 7.365 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.299 5.823 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.865 6.379 -1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.543 7.515 -1.039 1.00 0.00 H new ATOM 129 N ALA A 12 -3.672 3.655 -3.176 1.00 0.00 N ATOM 130 CA ALA A 12 -3.386 2.507 -4.026 1.00 0.00 C ATOM 131 C ALA A 12 -4.480 1.451 -3.910 1.00 0.00 C ATOM 132 O ALA A 12 -5.269 1.463 -2.965 1.00 0.00 O ATOM 133 CB ALA A 12 -2.033 1.909 -3.668 1.00 0.00 C ATOM 0 H ALA A 12 -3.597 3.468 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.357 2.851 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.832 1.052 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.255 2.659 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.042 1.587 -2.627 1.00 0.00 H new ATOM 139 N ILE A 13 -4.522 0.540 -4.877 1.00 0.00 N ATOM 140 CA ILE A 13 -5.520 -0.522 -4.882 1.00 0.00 C ATOM 141 C ILE A 13 -4.861 -1.896 -4.861 1.00 0.00 C ATOM 142 O ILE A 13 -3.880 -2.136 -5.565 1.00 0.00 O ATOM 143 CB ILE A 13 -6.440 -0.425 -6.114 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.155 0.928 -6.138 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.448 -1.564 -6.113 1.00 0.00 C ATOM 146 CD1 ILE A 13 -7.895 1.243 -4.857 1.00 0.00 C ATOM 0 H ILE A 13 -3.877 0.516 -5.667 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.119 -0.395 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.829 -0.508 -7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.423 1.713 -6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.861 0.942 -6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.091 -1.482 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.920 -2.517 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.057 -1.510 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.378 2.216 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.651 0.479 -4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.191 1.261 -4.025 1.00 0.00 H new ATOM 158 N ALA A 14 -5.406 -2.797 -4.050 1.00 0.00 N ATOM 159 CA ALA A 14 -4.873 -4.149 -3.941 1.00 0.00 C ATOM 160 C ALA A 14 -5.153 -4.953 -5.205 1.00 0.00 C ATOM 161 O ALA A 14 -6.308 -5.207 -5.550 1.00 0.00 O ATOM 162 CB ALA A 14 -5.460 -4.851 -2.725 1.00 0.00 C ATOM 0 H ALA A 14 -6.217 -2.615 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.792 -4.078 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.053 -5.860 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.203 -4.294 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.544 -4.903 -2.823 1.00 0.00 H new ATOM 168 N LYS A 15 -4.090 -5.353 -5.894 1.00 0.00 N ATOM 169 CA LYS A 15 -4.220 -6.130 -7.121 1.00 0.00 C ATOM 170 C LYS A 15 -4.674 -7.554 -6.818 1.00 0.00 C ATOM 171 O LYS A 15 -5.498 -8.120 -7.537 1.00 0.00 O ATOM 172 CB LYS A 15 -2.889 -6.157 -7.876 1.00 0.00 C ATOM 173 CG LYS A 15 -2.745 -5.042 -8.897 1.00 0.00 C ATOM 174 CD LYS A 15 -1.838 -5.451 -10.045 1.00 0.00 C ATOM 175 CE LYS A 15 -0.410 -5.682 -9.573 1.00 0.00 C ATOM 176 NZ LYS A 15 0.390 -4.426 -9.593 1.00 0.00 N ATOM 0 H LYS A 15 -3.127 -5.152 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.975 -5.652 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.072 -6.088 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.788 -7.117 -8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.727 -4.774 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.341 -4.153 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.221 -6.361 -10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.848 -4.676 -10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.423 -6.088 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.067 -6.427 -10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.357 -4.625 -9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.424 -4.051 -10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.051 -3.724 -8.966 1.00 0.00 H new ATOM 190 N PHE A 16 -4.132 -8.128 -5.748 1.00 0.00 N ATOM 191 CA PHE A 16 -4.482 -9.486 -5.349 1.00 0.00 C ATOM 192 C PHE A 16 -4.524 -9.613 -3.829 1.00 0.00 C ATOM 193 O PHE A 16 -3.657 -9.091 -3.128 1.00 0.00 O ATOM 194 CB PHE A 16 -3.479 -10.485 -5.929 1.00 0.00 C ATOM 195 CG PHE A 16 -2.944 -10.086 -7.274 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.596 -10.468 -8.435 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.789 -9.327 -7.378 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.105 -10.103 -9.674 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.294 -8.958 -8.615 1.00 0.00 C ATOM 200 CZ PHE A 16 -1.954 -9.345 -9.764 1.00 0.00 C ATOM 0 H PHE A 16 -3.449 -7.673 -5.142 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.474 -9.709 -5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.646 -10.596 -5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.957 -11.461 -6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.498 -11.058 -8.371 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.270 -9.020 -6.482 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.621 -10.410 -10.572 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.392 -8.368 -8.682 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.571 -9.056 -10.731 1.00 0.00 H new ATOM 210 N ASP A 17 -5.537 -10.310 -3.328 1.00 0.00 N ATOM 211 CA ASP A 17 -5.693 -10.507 -1.891 1.00 0.00 C ATOM 212 C ASP A 17 -4.390 -10.993 -1.265 1.00 0.00 C ATOM 213 O ASP A 17 -3.947 -12.114 -1.520 1.00 0.00 O ATOM 214 CB ASP A 17 -6.814 -11.509 -1.611 1.00 0.00 C ATOM 215 CG ASP A 17 -6.838 -12.646 -2.614 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.889 -13.457 -2.615 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.808 -12.724 -3.397 1.00 0.00 O ATOM 0 H ASP A 17 -6.263 -10.748 -3.895 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.954 -9.548 -1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.691 -11.916 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.773 -10.991 -1.630 1.00 0.00 H new ATOM 222 N TYR A 18 -3.780 -10.144 -0.446 1.00 0.00 N ATOM 223 CA TYR A 18 -2.525 -10.486 0.213 1.00 0.00 C ATOM 224 C TYR A 18 -2.711 -10.573 1.725 1.00 0.00 C ATOM 225 O TYR A 18 -3.527 -9.856 2.305 1.00 0.00 O ATOM 226 CB TYR A 18 -1.450 -9.451 -0.121 1.00 0.00 C ATOM 227 CG TYR A 18 -0.069 -9.834 0.361 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.364 -9.490 1.636 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.802 -10.542 -0.458 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.625 -9.838 2.079 1.00 0.00 C ATOM 231 CE2 TYR A 18 2.064 -10.895 -0.022 1.00 0.00 C ATOM 232 CZ TYR A 18 2.471 -10.540 1.247 1.00 0.00 C ATOM 233 OH TYR A 18 3.728 -10.890 1.686 1.00 0.00 O ATOM 0 H TYR A 18 -4.134 -9.214 -0.222 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.206 -11.462 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.421 -9.305 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.728 -8.495 0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.296 -8.941 2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.487 -10.821 -1.453 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.947 -9.562 3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.728 -11.446 -0.671 1.00 0.00 H new ATOM 0 HH TYR A 18 3.728 -10.952 2.664 1.00 0.00 H new ATOM 243 N VAL A 19 -1.946 -11.457 2.359 1.00 0.00 N ATOM 244 CA VAL A 19 -2.023 -11.638 3.804 1.00 0.00 C ATOM 245 C VAL A 19 -0.640 -11.573 4.440 1.00 0.00 C ATOM 246 O VAL A 19 0.159 -12.499 4.311 1.00 0.00 O ATOM 247 CB VAL A 19 -2.680 -12.983 4.166 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.909 -14.138 3.548 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.773 -13.140 5.676 1.00 0.00 C ATOM 0 H VAL A 19 -1.266 -12.059 1.894 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.637 -10.826 4.193 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.691 -12.995 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.388 -15.080 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.900 -14.030 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.885 -14.133 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.240 -14.096 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.773 -13.107 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.373 -12.330 6.090 1.00 0.00 H new ATOM 259 N GLY A 20 -0.363 -10.470 5.130 1.00 0.00 N ATOM 260 CA GLY A 20 0.925 -10.304 5.778 1.00 0.00 C ATOM 261 C GLY A 20 1.329 -11.521 6.586 1.00 0.00 C ATOM 262 O GLY A 20 0.717 -11.826 7.609 1.00 0.00 O ATOM 0 H GLY A 20 -1.008 -9.689 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.685 -10.105 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.889 -9.433 6.432 1.00 0.00 H new ATOM 266 N ARG A 21 2.362 -12.220 6.125 1.00 0.00 N ATOM 267 CA ARG A 21 2.844 -13.412 6.810 1.00 0.00 C ATOM 268 C ARG A 21 3.377 -13.064 8.197 1.00 0.00 C ATOM 269 O ARG A 21 3.269 -13.858 9.133 1.00 0.00 O ATOM 270 CB ARG A 21 3.941 -14.091 5.987 1.00 0.00 C ATOM 271 CG ARG A 21 3.564 -14.307 4.530 1.00 0.00 C ATOM 272 CD ARG A 21 4.631 -15.098 3.790 1.00 0.00 C ATOM 273 NE ARG A 21 5.742 -14.252 3.364 1.00 0.00 N ATOM 274 CZ ARG A 21 6.773 -13.945 4.144 1.00 0.00 C ATOM 275 NH1 ARG A 21 6.833 -14.413 5.383 1.00 0.00 N ATOM 276 NH2 ARG A 21 7.747 -13.170 3.685 1.00 0.00 N ATOM 0 H ARG A 21 2.880 -11.980 5.280 1.00 0.00 H new ATOM 0 HA ARG A 21 2.005 -14.099 6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.846 -13.485 6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.179 -15.054 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.613 -14.836 4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.421 -13.342 4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.007 -15.892 4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.187 -15.579 2.919 1.00 0.00 H new ATOM 0 HE ARG A 21 5.726 -13.876 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.087 -15.010 5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.625 -14.176 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.705 -12.809 2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.538 -12.935 4.285 1.00 0.00 H new ATOM 290 N THR A 22 3.952 -11.873 8.323 1.00 0.00 N ATOM 291 CA THR A 22 4.503 -11.420 9.594 1.00 0.00 C ATOM 292 C THR A 22 3.743 -10.208 10.122 1.00 0.00 C ATOM 293 O THR A 22 2.951 -9.599 9.403 1.00 0.00 O ATOM 294 CB THR A 22 5.995 -11.059 9.464 1.00 0.00 C ATOM 295 OG1 THR A 22 6.153 -9.937 8.589 1.00 0.00 O ATOM 296 CG2 THR A 22 6.792 -12.240 8.931 1.00 0.00 C ATOM 0 H THR A 22 4.048 -11.204 7.559 1.00 0.00 H new ATOM 0 HA THR A 22 4.397 -12.247 10.296 1.00 0.00 H new ATOM 0 HB THR A 22 6.372 -10.803 10.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.104 -9.713 8.513 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.843 -11.962 8.847 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.693 -13.084 9.614 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.412 -12.522 7.949 1.00 0.00 H new ATOM 304 N ALA A 23 3.990 -9.863 11.381 1.00 0.00 N ATOM 305 CA ALA A 23 3.331 -8.722 12.004 1.00 0.00 C ATOM 306 C ALA A 23 3.570 -7.446 11.204 1.00 0.00 C ATOM 307 O ALA A 23 2.634 -6.700 10.915 1.00 0.00 O ATOM 308 CB ALA A 23 3.818 -8.548 13.435 1.00 0.00 C ATOM 0 H ALA A 23 4.642 -10.358 11.990 1.00 0.00 H new ATOM 0 HA ALA A 23 2.259 -8.916 12.017 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.318 -7.692 13.888 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.591 -9.447 14.008 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.895 -8.380 13.435 1.00 0.00 H new ATOM 314 N ARG A 24 4.827 -7.202 10.848 1.00 0.00 N ATOM 315 CA ARG A 24 5.188 -6.015 10.083 1.00 0.00 C ATOM 316 C ARG A 24 4.307 -5.879 8.844 1.00 0.00 C ATOM 317 O ARG A 24 3.710 -4.830 8.608 1.00 0.00 O ATOM 318 CB ARG A 24 6.660 -6.076 9.672 1.00 0.00 C ATOM 319 CG ARG A 24 7.614 -5.582 10.747 1.00 0.00 C ATOM 320 CD ARG A 24 7.559 -4.069 10.888 1.00 0.00 C ATOM 321 NE ARG A 24 8.051 -3.622 12.188 1.00 0.00 N ATOM 322 CZ ARG A 24 7.747 -2.445 12.725 1.00 0.00 C ATOM 323 NH1 ARG A 24 6.956 -1.602 12.076 1.00 0.00 N ATOM 324 NH2 ARG A 24 8.234 -2.110 13.913 1.00 0.00 N ATOM 0 H ARG A 24 5.613 -7.811 11.077 1.00 0.00 H new ATOM 0 HA ARG A 24 5.031 -5.142 10.717 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.915 -7.105 9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.802 -5.480 8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.362 -6.047 11.700 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.631 -5.889 10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.153 -3.610 10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.532 -3.729 10.753 1.00 0.00 H new ATOM 0 HE ARG A 24 8.662 -4.248 12.713 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.580 -1.856 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.724 -0.699 12.490 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.843 -2.756 14.415 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.000 -1.206 14.324 1.00 0.00 H new ATOM 338 N GLU A 25 4.234 -6.947 8.056 1.00 0.00 N ATOM 339 CA GLU A 25 3.428 -6.946 6.841 1.00 0.00 C ATOM 340 C GLU A 25 1.951 -6.747 7.168 1.00 0.00 C ATOM 341 O GLU A 25 1.503 -7.048 8.275 1.00 0.00 O ATOM 342 CB GLU A 25 3.620 -8.255 6.073 1.00 0.00 C ATOM 343 CG GLU A 25 4.954 -8.347 5.351 1.00 0.00 C ATOM 344 CD GLU A 25 5.141 -9.672 4.638 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.129 -10.257 4.198 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.299 -10.125 4.521 1.00 0.00 O ATOM 0 H GLU A 25 4.723 -7.824 8.237 1.00 0.00 H new ATOM 0 HA GLU A 25 3.759 -6.116 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.534 -9.090 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.815 -8.361 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.028 -7.535 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.762 -8.208 6.069 1.00 0.00 H new ATOM 353 N LEU A 26 1.199 -6.239 6.198 1.00 0.00 N ATOM 354 CA LEU A 26 -0.228 -5.999 6.381 1.00 0.00 C ATOM 355 C LEU A 26 -1.055 -6.982 5.559 1.00 0.00 C ATOM 356 O LEU A 26 -0.633 -7.423 4.490 1.00 0.00 O ATOM 357 CB LEU A 26 -0.579 -4.564 5.986 1.00 0.00 C ATOM 358 CG LEU A 26 0.215 -3.461 6.688 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.119 -2.102 6.093 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.063 -3.474 8.184 1.00 0.00 C ATOM 0 H LEU A 26 1.554 -5.985 5.276 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.464 -6.147 7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.436 -4.459 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.639 -4.403 6.183 1.00 0.00 H new ATOM 0 HG LEU A 26 1.277 -3.650 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.455 -1.330 6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.132 -2.098 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.184 -1.903 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.510 -2.683 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.126 -3.310 8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.228 -4.439 8.600 1.00 0.00 H new ATOM 372 N SER A 27 -2.237 -7.320 6.064 1.00 0.00 N ATOM 373 CA SER A 27 -3.124 -8.252 5.378 1.00 0.00 C ATOM 374 C SER A 27 -4.319 -7.520 4.774 1.00 0.00 C ATOM 375 O SER A 27 -5.080 -6.860 5.482 1.00 0.00 O ATOM 376 CB SER A 27 -3.609 -9.334 6.345 1.00 0.00 C ATOM 377 OG SER A 27 -4.613 -8.831 7.210 1.00 0.00 O ATOM 0 H SER A 27 -2.603 -6.962 6.946 1.00 0.00 H new ATOM 0 HA SER A 27 -2.562 -8.722 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.001 -10.181 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.769 -9.704 6.933 1.00 0.00 H new ATOM 0 HG SER A 27 -4.843 -7.915 6.947 1.00 0.00 H new ATOM 383 N PHE A 28 -4.477 -7.642 3.460 1.00 0.00 N ATOM 384 CA PHE A 28 -5.578 -6.992 2.759 1.00 0.00 C ATOM 385 C PHE A 28 -6.176 -7.921 1.706 1.00 0.00 C ATOM 386 O PHE A 28 -5.651 -9.003 1.445 1.00 0.00 O ATOM 387 CB PHE A 28 -5.098 -5.698 2.100 1.00 0.00 C ATOM 388 CG PHE A 28 -3.829 -5.860 1.314 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.856 -6.372 0.026 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.608 -5.503 1.862 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.690 -6.522 -0.700 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.438 -5.651 1.141 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.479 -6.162 -0.142 1.00 0.00 C ATOM 0 H PHE A 28 -3.857 -8.185 2.859 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.351 -6.754 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.880 -5.325 1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.945 -4.943 2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.800 -6.657 -0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.570 -5.104 2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.726 -6.920 -1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.493 -5.368 1.580 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.566 -6.280 -0.707 1.00 0.00 H new ATOM 403 N LYS A 29 -7.279 -7.490 1.103 1.00 0.00 N ATOM 404 CA LYS A 29 -7.950 -8.280 0.078 1.00 0.00 C ATOM 405 C LYS A 29 -8.039 -7.506 -1.234 1.00 0.00 C ATOM 406 O LYS A 29 -8.247 -6.293 -1.238 1.00 0.00 O ATOM 407 CB LYS A 29 -9.353 -8.674 0.546 1.00 0.00 C ATOM 408 CG LYS A 29 -9.355 -9.612 1.740 1.00 0.00 C ATOM 409 CD LYS A 29 -9.148 -11.056 1.315 1.00 0.00 C ATOM 410 CE LYS A 29 -9.293 -12.010 2.491 1.00 0.00 C ATOM 411 NZ LYS A 29 -8.212 -11.820 3.497 1.00 0.00 N ATOM 0 H LYS A 29 -7.727 -6.597 1.307 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.363 -9.183 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.908 -7.772 0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.882 -9.150 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.568 -9.320 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.301 -9.521 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.872 -11.316 0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.157 -11.168 0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.262 -11.856 2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.275 -13.038 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.297 -12.544 4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.286 -11.908 3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.297 -10.875 3.923 1.00 0.00 H new ATOM 425 N LYS A 30 -7.881 -8.216 -2.346 1.00 0.00 N ATOM 426 CA LYS A 30 -7.945 -7.598 -3.664 1.00 0.00 C ATOM 427 C LYS A 30 -9.079 -6.580 -3.733 1.00 0.00 C ATOM 428 O LYS A 30 -10.234 -6.902 -3.457 1.00 0.00 O ATOM 429 CB LYS A 30 -8.140 -8.666 -4.743 1.00 0.00 C ATOM 430 CG LYS A 30 -8.255 -8.100 -6.147 1.00 0.00 C ATOM 431 CD LYS A 30 -8.210 -9.197 -7.197 1.00 0.00 C ATOM 432 CE LYS A 30 -8.520 -8.655 -8.583 1.00 0.00 C ATOM 433 NZ LYS A 30 -8.343 -9.693 -9.637 1.00 0.00 N ATOM 0 H LYS A 30 -7.708 -9.221 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.002 -7.080 -3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.302 -9.362 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.039 -9.239 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.188 -7.544 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.444 -7.394 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.223 -9.660 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.928 -9.977 -6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.545 -8.284 -8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.869 -7.807 -8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.564 -9.284 -10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.359 -10.029 -9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.983 -10.491 -9.449 1.00 0.00 H new ATOM 447 N GLY A 31 -8.741 -5.348 -4.104 1.00 0.00 N ATOM 448 CA GLY A 31 -9.743 -4.302 -4.203 1.00 0.00 C ATOM 449 C GLY A 31 -9.738 -3.379 -3.001 1.00 0.00 C ATOM 450 O GLY A 31 -9.991 -2.182 -3.129 1.00 0.00 O ATOM 0 H GLY A 31 -7.792 -5.056 -4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.566 -3.718 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.729 -4.756 -4.305 1.00 0.00 H new ATOM 454 N ALA A 32 -9.449 -3.937 -1.829 1.00 0.00 N ATOM 455 CA ALA A 32 -9.412 -3.155 -0.600 1.00 0.00 C ATOM 456 C ALA A 32 -8.568 -1.897 -0.774 1.00 0.00 C ATOM 457 O ALA A 32 -7.412 -1.967 -1.191 1.00 0.00 O ATOM 458 CB ALA A 32 -8.875 -3.999 0.546 1.00 0.00 C ATOM 0 H ALA A 32 -9.237 -4.927 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.431 -2.847 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.853 -3.402 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.521 -4.864 0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.866 -4.336 0.308 1.00 0.00 H new ATOM 464 N SER A 33 -9.153 -0.748 -0.453 1.00 0.00 N ATOM 465 CA SER A 33 -8.455 0.526 -0.578 1.00 0.00 C ATOM 466 C SER A 33 -7.330 0.633 0.447 1.00 0.00 C ATOM 467 O SER A 33 -7.553 0.480 1.649 1.00 0.00 O ATOM 468 CB SER A 33 -9.434 1.688 -0.400 1.00 0.00 C ATOM 469 OG SER A 33 -8.751 2.929 -0.352 1.00 0.00 O ATOM 0 H SER A 33 -10.109 -0.673 -0.104 1.00 0.00 H new ATOM 0 HA SER A 33 -8.020 0.576 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.149 1.695 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.006 1.548 0.518 1.00 0.00 H new ATOM 0 HG SER A 33 -9.399 3.655 -0.239 1.00 0.00 H new ATOM 475 N LEU A 34 -6.121 0.897 -0.036 1.00 0.00 N ATOM 476 CA LEU A 34 -4.959 1.024 0.837 1.00 0.00 C ATOM 477 C LEU A 34 -4.310 2.396 0.682 1.00 0.00 C ATOM 478 O LEU A 34 -4.214 2.928 -0.424 1.00 0.00 O ATOM 479 CB LEU A 34 -3.940 -0.073 0.526 1.00 0.00 C ATOM 480 CG LEU A 34 -4.472 -1.506 0.536 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.668 -2.381 -0.412 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.442 -2.076 1.947 1.00 0.00 C ATOM 0 H LEU A 34 -5.920 1.027 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.296 0.916 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.510 0.127 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.128 -0.003 1.250 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.507 -1.491 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.062 -3.397 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.742 -1.984 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.623 -2.390 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.824 -3.097 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.417 -2.077 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.063 -1.463 2.600 1.00 0.00 H new ATOM 494 N LEU A 35 -3.865 2.963 1.798 1.00 0.00 N ATOM 495 CA LEU A 35 -3.222 4.272 1.787 1.00 0.00 C ATOM 496 C LEU A 35 -1.705 4.135 1.875 1.00 0.00 C ATOM 497 O LEU A 35 -1.189 3.295 2.613 1.00 0.00 O ATOM 498 CB LEU A 35 -3.737 5.125 2.948 1.00 0.00 C ATOM 499 CG LEU A 35 -3.802 6.632 2.697 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.934 6.964 1.737 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.975 7.384 4.009 1.00 0.00 C ATOM 0 H LEU A 35 -3.938 2.537 2.722 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.470 4.763 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.736 4.778 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.098 4.948 3.813 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.863 6.947 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.965 8.041 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.768 6.454 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.881 6.635 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.019 8.455 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.899 7.066 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.131 7.171 4.665 1.00 0.00 H new ATOM 513 N LEU A 36 -0.996 4.967 1.120 1.00 0.00 N ATOM 514 CA LEU A 36 0.462 4.941 1.114 1.00 0.00 C ATOM 515 C LEU A 36 1.033 6.257 1.633 1.00 0.00 C ATOM 516 O LEU A 36 0.574 7.335 1.256 1.00 0.00 O ATOM 517 CB LEU A 36 0.981 4.668 -0.299 1.00 0.00 C ATOM 518 CG LEU A 36 0.468 3.392 -0.968 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.224 3.127 -2.260 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.593 2.207 -0.022 1.00 0.00 C ATOM 0 H LEU A 36 -1.408 5.668 0.504 1.00 0.00 H new ATOM 0 HA LEU A 36 0.789 4.139 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.719 5.516 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.069 4.623 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.586 3.529 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.846 2.215 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.083 3.965 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.286 3.010 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.223 1.308 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.639 2.068 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.006 2.396 0.877 1.00 0.00 H new ATOM 532 N TYR A 37 2.037 6.160 2.497 1.00 0.00 N ATOM 533 CA TYR A 37 2.670 7.343 3.068 1.00 0.00 C ATOM 534 C TYR A 37 4.079 7.528 2.513 1.00 0.00 C ATOM 535 O TYR A 37 4.452 8.622 2.090 1.00 0.00 O ATOM 536 CB TYR A 37 2.721 7.235 4.593 1.00 0.00 C ATOM 537 CG TYR A 37 1.357 7.125 5.237 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.337 8.007 4.904 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.090 6.140 6.180 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.910 7.911 5.491 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.154 6.036 6.771 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.151 6.923 6.423 1.00 0.00 C ATOM 543 OH TYR A 37 -2.391 6.823 7.011 1.00 0.00 O ATOM 0 H TYR A 37 2.430 5.275 2.817 1.00 0.00 H new ATOM 0 HA TYR A 37 2.073 8.212 2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.315 6.363 4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.234 8.109 4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.522 8.781 4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.868 5.444 6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.692 8.606 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.345 5.264 7.502 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.394 6.074 7.643 1.00 0.00 H new ATOM 553 N GLN A 38 4.856 6.449 2.518 1.00 0.00 N ATOM 554 CA GLN A 38 6.224 6.492 2.016 1.00 0.00 C ATOM 555 C GLN A 38 6.674 5.113 1.545 1.00 0.00 C ATOM 556 O GLN A 38 6.189 4.091 2.032 1.00 0.00 O ATOM 557 CB GLN A 38 7.172 7.008 3.099 1.00 0.00 C ATOM 558 CG GLN A 38 8.398 7.719 2.547 1.00 0.00 C ATOM 559 CD GLN A 38 9.599 7.608 3.465 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.603 8.153 4.570 1.00 0.00 O ATOM 561 NE2 GLN A 38 10.628 6.901 3.012 1.00 0.00 N ATOM 0 H GLN A 38 4.562 5.536 2.864 1.00 0.00 H new ATOM 0 HA GLN A 38 6.251 7.174 1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.628 7.692 3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.496 6.170 3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.650 7.299 1.573 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.162 8.771 2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.582 6.466 2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.464 6.793 3.586 1.00 0.00 H new ATOM 570 N ARG A 39 7.603 5.091 0.595 1.00 0.00 N ATOM 571 CA ARG A 39 8.117 3.837 0.057 1.00 0.00 C ATOM 572 C ARG A 39 9.236 3.286 0.937 1.00 0.00 C ATOM 573 O ARG A 39 10.360 3.785 0.912 1.00 0.00 O ATOM 574 CB ARG A 39 8.629 4.041 -1.370 1.00 0.00 C ATOM 575 CG ARG A 39 9.151 2.769 -2.017 1.00 0.00 C ATOM 576 CD ARG A 39 8.049 2.027 -2.757 1.00 0.00 C ATOM 577 NE ARG A 39 8.586 1.085 -3.736 1.00 0.00 N ATOM 578 CZ ARG A 39 8.984 1.437 -4.953 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.907 2.703 -5.339 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.461 0.521 -5.787 1.00 0.00 N ATOM 0 H ARG A 39 8.015 5.928 0.182 1.00 0.00 H new ATOM 0 HA ARG A 39 7.300 3.115 0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.823 4.445 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.425 4.786 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.954 3.016 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.578 2.120 -1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.428 1.490 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.403 2.746 -3.262 1.00 0.00 H new ATOM 0 HE ARG A 39 8.659 0.103 -3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.541 3.409 -4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.213 2.971 -6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.522 -0.454 -5.493 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.767 0.792 -6.722 1.00 0.00 H new ATOM 594 N ALA A 40 8.919 2.255 1.712 1.00 0.00 N ATOM 595 CA ALA A 40 9.897 1.636 2.598 1.00 0.00 C ATOM 596 C ALA A 40 11.053 1.037 1.805 1.00 0.00 C ATOM 597 O ALA A 40 12.211 1.123 2.216 1.00 0.00 O ATOM 598 CB ALA A 40 9.232 0.568 3.454 1.00 0.00 C ATOM 0 H ALA A 40 7.992 1.830 1.745 1.00 0.00 H new ATOM 0 HA ALA A 40 10.301 2.410 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.974 0.114 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.444 1.022 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.801 -0.198 2.810 1.00 0.00 H new ATOM 604 N SER A 41 10.733 0.429 0.668 1.00 0.00 N ATOM 605 CA SER A 41 11.746 -0.189 -0.181 1.00 0.00 C ATOM 606 C SER A 41 11.246 -0.317 -1.617 1.00 0.00 C ATOM 607 O SER A 41 10.138 0.109 -1.941 1.00 0.00 O ATOM 608 CB SER A 41 12.126 -1.567 0.364 1.00 0.00 C ATOM 609 OG SER A 41 13.372 -1.995 -0.158 1.00 0.00 O ATOM 0 H SER A 41 9.780 0.351 0.313 1.00 0.00 H new ATOM 0 HA SER A 41 12.628 0.451 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.177 -1.530 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.352 -2.290 0.106 1.00 0.00 H new ATOM 0 HG SER A 41 13.594 -2.877 0.206 1.00 0.00 H new ATOM 615 N ASP A 42 12.073 -0.908 -2.473 1.00 0.00 N ATOM 616 CA ASP A 42 11.717 -1.094 -3.875 1.00 0.00 C ATOM 617 C ASP A 42 10.638 -2.163 -4.023 1.00 0.00 C ATOM 618 O ASP A 42 9.947 -2.224 -5.041 1.00 0.00 O ATOM 619 CB ASP A 42 12.952 -1.482 -4.689 1.00 0.00 C ATOM 620 CG ASP A 42 13.745 -0.274 -5.149 1.00 0.00 C ATOM 621 OD1 ASP A 42 13.150 0.817 -5.263 1.00 0.00 O ATOM 622 OD2 ASP A 42 14.961 -0.421 -5.394 1.00 0.00 O ATOM 0 H ASP A 42 12.994 -1.266 -2.221 1.00 0.00 H new ATOM 0 HA ASP A 42 11.324 -0.151 -4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.593 -2.126 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.643 -2.063 -5.558 1.00 0.00 H new ATOM 627 N ASP A 43 10.499 -3.002 -3.004 1.00 0.00 N ATOM 628 CA ASP A 43 9.504 -4.068 -3.021 1.00 0.00 C ATOM 629 C ASP A 43 8.619 -4.005 -1.780 1.00 0.00 C ATOM 630 O ASP A 43 8.034 -5.009 -1.371 1.00 0.00 O ATOM 631 CB ASP A 43 10.190 -5.433 -3.105 1.00 0.00 C ATOM 632 CG ASP A 43 10.511 -5.833 -4.531 1.00 0.00 C ATOM 633 OD1 ASP A 43 9.759 -5.430 -5.443 1.00 0.00 O ATOM 634 OD2 ASP A 43 11.513 -6.550 -4.736 1.00 0.00 O ATOM 0 H ASP A 43 11.063 -2.965 -2.155 1.00 0.00 H new ATOM 0 HA ASP A 43 8.875 -3.931 -3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.110 -5.410 -2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.546 -6.188 -2.655 1.00 0.00 H new ATOM 639 N TRP A 44 8.526 -2.821 -1.186 1.00 0.00 N ATOM 640 CA TRP A 44 7.712 -2.628 0.009 1.00 0.00 C ATOM 641 C TRP A 44 7.224 -1.187 0.108 1.00 0.00 C ATOM 642 O TRP A 44 7.746 -0.298 -0.565 1.00 0.00 O ATOM 643 CB TRP A 44 8.512 -2.996 1.260 1.00 0.00 C ATOM 644 CG TRP A 44 8.777 -4.466 1.385 1.00 0.00 C ATOM 645 CD1 TRP A 44 9.986 -5.092 1.287 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.810 -5.493 1.630 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.829 -6.447 1.456 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.504 -6.718 1.669 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.426 -5.497 1.823 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.859 -7.932 1.890 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.787 -6.702 2.043 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.503 -7.906 2.076 1.00 0.00 C ATOM 0 H TRP A 44 9.004 -1.981 -1.512 1.00 0.00 H new ATOM 0 HA TRP A 44 6.843 -3.282 -0.063 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.463 -2.463 1.244 1.00 0.00 H new ATOM 0 HB3 TRP A 44 7.970 -2.656 2.142 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.927 -4.596 1.104 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.578 -7.139 1.427 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.866 -4.574 1.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.409 -8.861 1.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.717 -6.716 2.192 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.975 -8.832 2.252 1.00 0.00 H new ATOM 663 N TRP A 45 6.222 -0.964 0.950 1.00 0.00 N ATOM 664 CA TRP A 45 5.664 0.371 1.137 1.00 0.00 C ATOM 665 C TRP A 45 5.321 0.618 2.601 1.00 0.00 C ATOM 666 O TRP A 45 5.224 -0.320 3.391 1.00 0.00 O ATOM 667 CB TRP A 45 4.416 0.550 0.270 1.00 0.00 C ATOM 668 CG TRP A 45 4.726 0.911 -1.151 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.045 0.053 -2.164 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.748 2.227 -1.715 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.264 0.756 -3.324 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.088 2.091 -3.075 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.513 3.506 -1.204 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.198 3.187 -3.927 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.623 4.593 -2.051 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.962 4.428 -3.400 1.00 0.00 C ATOM 0 H TRP A 45 5.779 -1.689 1.514 1.00 0.00 H new ATOM 0 HA TRP A 45 6.417 1.098 0.833 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.837 -0.373 0.285 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.788 1.327 0.706 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.115 -1.020 -2.068 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.517 0.349 -4.225 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.250 3.643 -0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.460 3.062 -4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.445 5.586 -1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.039 5.297 -4.037 1.00 0.00 H new ATOM 687 N GLU A 46 5.138 1.886 2.957 1.00 0.00 N ATOM 688 CA GLU A 46 4.806 2.254 4.328 1.00 0.00 C ATOM 689 C GLU A 46 3.488 3.021 4.381 1.00 0.00 C ATOM 690 O GLU A 46 3.454 4.234 4.174 1.00 0.00 O ATOM 691 CB GLU A 46 5.926 3.100 4.938 1.00 0.00 C ATOM 692 CG GLU A 46 7.256 2.371 5.033 1.00 0.00 C ATOM 693 CD GLU A 46 8.111 2.866 6.183 1.00 0.00 C ATOM 694 OE1 GLU A 46 7.551 3.146 7.263 1.00 0.00 O ATOM 695 OE2 GLU A 46 9.343 2.974 6.002 1.00 0.00 O ATOM 0 H GLU A 46 5.214 2.675 2.315 1.00 0.00 H new ATOM 0 HA GLU A 46 4.697 1.337 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.057 4.001 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.625 3.421 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.073 1.303 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.803 2.497 4.098 1.00 0.00 H new ATOM 702 N GLY A 47 2.403 2.304 4.660 1.00 0.00 N ATOM 703 CA GLY A 47 1.098 2.933 4.735 1.00 0.00 C ATOM 704 C GLY A 47 0.268 2.410 5.891 1.00 0.00 C ATOM 705 O GLY A 47 0.810 1.910 6.877 1.00 0.00 O ATOM 0 H GLY A 47 2.405 1.299 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.223 4.011 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.562 2.764 3.801 1.00 0.00 H new ATOM 709 N ARG A 48 -1.050 2.527 5.772 1.00 0.00 N ATOM 710 CA ARG A 48 -1.956 2.065 6.817 1.00 0.00 C ATOM 711 C ARG A 48 -3.102 1.252 6.222 1.00 0.00 C ATOM 712 O ARG A 48 -3.542 1.507 5.100 1.00 0.00 O ATOM 713 CB ARG A 48 -2.513 3.254 7.601 1.00 0.00 C ATOM 714 CG ARG A 48 -3.551 2.865 8.641 1.00 0.00 C ATOM 715 CD ARG A 48 -4.471 4.029 8.972 1.00 0.00 C ATOM 716 NE ARG A 48 -5.634 4.077 8.090 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.531 5.056 8.108 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.400 6.064 8.959 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.562 5.028 7.273 1.00 0.00 N ATOM 0 H ARG A 48 -1.515 2.938 4.962 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.392 1.424 7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.690 3.769 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.958 3.962 6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.142 2.027 8.271 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.050 2.527 9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.804 3.945 10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.916 4.964 8.891 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.765 3.316 7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.609 6.089 9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.090 6.815 8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.666 4.254 6.617 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.251 5.780 7.287 1.00 0.00 H new ATOM 733 N HIS A 49 -3.582 0.271 6.981 1.00 0.00 N ATOM 734 CA HIS A 49 -4.677 -0.580 6.529 1.00 0.00 C ATOM 735 C HIS A 49 -5.675 -0.825 7.656 1.00 0.00 C ATOM 736 O HIS A 49 -5.339 -1.428 8.675 1.00 0.00 O ATOM 737 CB HIS A 49 -4.135 -1.913 6.012 1.00 0.00 C ATOM 738 CG HIS A 49 -5.199 -2.941 5.778 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.590 -3.851 6.738 1.00 0.00 N ATOM 740 CD2 HIS A 49 -5.956 -3.200 4.686 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.540 -4.625 6.246 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.781 -4.251 5.002 1.00 0.00 N ATOM 0 H HIS A 49 -3.230 0.046 7.911 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.192 -0.067 5.717 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.597 -1.740 5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.414 -2.305 6.729 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.918 -2.677 3.742 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.036 -5.428 6.771 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.468 -4.674 4.378 1.00 0.00 H new ATOM 751 N ASN A 50 -6.903 -0.353 7.466 1.00 0.00 N ATOM 752 CA ASN A 50 -7.949 -0.520 8.468 1.00 0.00 C ATOM 753 C ASN A 50 -7.454 -0.098 9.848 1.00 0.00 C ATOM 754 O ASN A 50 -7.763 -0.738 10.853 1.00 0.00 O ATOM 755 CB ASN A 50 -8.420 -1.975 8.506 1.00 0.00 C ATOM 756 CG ASN A 50 -9.731 -2.140 9.250 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.808 -1.958 8.681 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.646 -2.484 10.530 1.00 0.00 N ATOM 0 H ASN A 50 -7.198 0.148 6.628 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.787 0.120 8.191 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.535 -2.343 7.487 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.656 -2.589 8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.495 -2.608 11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.732 -2.625 10.961 1.00 0.00 H new ATOM 765 N GLY A 51 -6.683 0.985 9.889 1.00 0.00 N ATOM 766 CA GLY A 51 -6.157 1.474 11.150 1.00 0.00 C ATOM 767 C GLY A 51 -4.968 0.668 11.634 1.00 0.00 C ATOM 768 O GLY A 51 -4.786 0.480 12.837 1.00 0.00 O ATOM 0 H GLY A 51 -6.414 1.532 9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.863 2.517 11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.943 1.444 11.904 1.00 0.00 H new ATOM 772 N ILE A 52 -4.157 0.191 10.696 1.00 0.00 N ATOM 773 CA ILE A 52 -2.980 -0.599 11.034 1.00 0.00 C ATOM 774 C ILE A 52 -1.779 -0.183 10.192 1.00 0.00 C ATOM 775 O ILE A 52 -1.800 -0.290 8.966 1.00 0.00 O ATOM 776 CB ILE A 52 -3.236 -2.105 10.835 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.433 -2.556 11.674 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.995 -2.906 11.198 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.878 -3.972 11.380 1.00 0.00 C ATOM 0 H ILE A 52 -4.294 0.338 9.696 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.766 -0.412 12.086 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.465 -2.284 9.784 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.177 -2.476 12.730 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.267 -1.877 11.496 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.192 -3.968 11.052 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.165 -2.600 10.561 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.737 -2.725 12.241 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.730 -4.224 12.011 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.166 -4.053 10.332 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.059 -4.661 11.585 1.00 0.00 H new ATOM 791 N ASP A 53 -0.731 0.289 10.859 1.00 0.00 N ATOM 792 CA ASP A 53 0.482 0.718 10.172 1.00 0.00 C ATOM 793 C ASP A 53 1.456 -0.445 10.011 1.00 0.00 C ATOM 794 O ASP A 53 1.747 -1.161 10.968 1.00 0.00 O ATOM 795 CB ASP A 53 1.152 1.858 10.941 1.00 0.00 C ATOM 796 CG ASP A 53 2.002 1.358 12.093 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.424 0.908 13.104 1.00 0.00 O ATOM 798 OD2 ASP A 53 3.245 1.418 11.983 1.00 0.00 O ATOM 0 H ASP A 53 -0.697 0.384 11.874 1.00 0.00 H new ATOM 0 HA ASP A 53 0.202 1.074 9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.774 2.436 10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.387 2.533 11.324 1.00 0.00 H new ATOM 803 N GLY A 54 1.955 -0.628 8.793 1.00 0.00 N ATOM 804 CA GLY A 54 2.890 -1.706 8.528 1.00 0.00 C ATOM 805 C GLY A 54 3.526 -1.599 7.156 1.00 0.00 C ATOM 806 O GLY A 54 3.772 -0.498 6.662 1.00 0.00 O ATOM 0 H GLY A 54 1.729 -0.049 7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.671 -1.700 9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.371 -2.661 8.611 1.00 0.00 H new ATOM 810 N LEU A 55 3.794 -2.744 6.539 1.00 0.00 N ATOM 811 CA LEU A 55 4.407 -2.775 5.216 1.00 0.00 C ATOM 812 C LEU A 55 3.418 -3.279 4.169 1.00 0.00 C ATOM 813 O LEU A 55 2.508 -4.048 4.480 1.00 0.00 O ATOM 814 CB LEU A 55 5.650 -3.666 5.229 1.00 0.00 C ATOM 815 CG LEU A 55 6.887 -3.082 5.913 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.983 -4.131 6.020 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.387 -1.860 5.157 1.00 0.00 C ATOM 0 H LEU A 55 3.596 -3.664 6.934 1.00 0.00 H new ATOM 0 HA LEU A 55 4.699 -1.758 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.395 -4.604 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.910 -3.908 4.199 1.00 0.00 H new ATOM 0 HG LEU A 55 6.610 -2.772 6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.855 -3.697 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.622 -4.976 6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.259 -4.472 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.268 -1.457 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.648 -2.144 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.605 -1.101 5.133 1.00 0.00 H new ATOM 829 N ILE A 56 3.603 -2.841 2.929 1.00 0.00 N ATOM 830 CA ILE A 56 2.730 -3.249 1.836 1.00 0.00 C ATOM 831 C ILE A 56 3.535 -3.595 0.588 1.00 0.00 C ATOM 832 O ILE A 56 4.393 -2.834 0.142 1.00 0.00 O ATOM 833 CB ILE A 56 1.711 -2.148 1.487 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.796 -1.873 2.682 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.894 -2.549 0.268 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.154 -0.503 2.648 1.00 0.00 C ATOM 0 H ILE A 56 4.350 -2.203 2.656 1.00 0.00 H new ATOM 0 HA ILE A 56 2.193 -4.135 2.176 1.00 0.00 H new ATOM 0 HB ILE A 56 2.254 -1.233 1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.014 -2.631 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.373 -1.973 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.178 -1.761 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.559 -2.699 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.358 -3.475 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.481 -0.377 3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.930 0.263 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.450 -0.407 1.746 1.00 0.00 H new ATOM 848 N PRO A 57 3.252 -4.771 0.008 1.00 0.00 N ATOM 849 CA PRO A 57 3.937 -5.245 -1.198 1.00 0.00 C ATOM 850 C PRO A 57 3.561 -4.434 -2.434 1.00 0.00 C ATOM 851 O PRO A 57 2.400 -4.070 -2.620 1.00 0.00 O ATOM 852 CB PRO A 57 3.451 -6.689 -1.338 1.00 0.00 C ATOM 853 CG PRO A 57 2.133 -6.715 -0.645 1.00 0.00 C ATOM 854 CD PRO A 57 2.241 -5.730 0.486 1.00 0.00 C ATOM 0 HA PRO A 57 5.020 -5.152 -1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.353 -6.974 -2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.152 -7.388 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.328 -6.440 -1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.908 -7.714 -0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.287 -5.242 0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.552 -6.214 1.412 1.00 0.00 H new ATOM 862 N HIS A 58 4.551 -4.155 -3.276 1.00 0.00 N ATOM 863 CA HIS A 58 4.323 -3.388 -4.496 1.00 0.00 C ATOM 864 C HIS A 58 3.883 -4.299 -5.637 1.00 0.00 C ATOM 865 O HIS A 58 3.581 -3.832 -6.735 1.00 0.00 O ATOM 866 CB HIS A 58 5.592 -2.632 -4.892 1.00 0.00 C ATOM 867 CG HIS A 58 5.424 -1.777 -6.111 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.137 -0.430 -6.051 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.506 -2.086 -7.426 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.048 0.053 -7.278 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.268 -0.931 -8.130 1.00 0.00 N ATOM 0 H HIS A 58 5.518 -4.448 -3.136 1.00 0.00 H new ATOM 0 HA HIS A 58 3.526 -2.670 -4.301 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.906 -2.004 -4.058 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.393 -3.350 -5.069 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.719 -3.059 -7.844 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.832 1.078 -7.539 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.262 -0.847 -9.147 1.00 0.00 H new ATOM 879 N GLN A 59 3.849 -5.601 -5.369 1.00 0.00 N ATOM 880 CA GLN A 59 3.447 -6.577 -6.374 1.00 0.00 C ATOM 881 C GLN A 59 1.967 -6.919 -6.239 1.00 0.00 C ATOM 882 O GLN A 59 1.356 -7.454 -7.165 1.00 0.00 O ATOM 883 CB GLN A 59 4.290 -7.847 -6.248 1.00 0.00 C ATOM 884 CG GLN A 59 5.754 -7.643 -6.603 1.00 0.00 C ATOM 885 CD GLN A 59 6.674 -8.576 -5.841 1.00 0.00 C ATOM 886 OE1 GLN A 59 6.465 -9.790 -5.816 1.00 0.00 O ATOM 887 NE2 GLN A 59 7.701 -8.014 -5.214 1.00 0.00 N ATOM 0 H GLN A 59 4.095 -6.003 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 59 3.611 -6.137 -7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.221 -8.219 -5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.871 -8.617 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.890 -7.799 -7.673 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.034 -6.611 -6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.837 -7.004 -5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.354 -8.592 -4.685 1.00 0.00 H new ATOM 896 N TYR A 60 1.396 -6.608 -5.081 1.00 0.00 N ATOM 897 CA TYR A 60 -0.012 -6.885 -4.823 1.00 0.00 C ATOM 898 C TYR A 60 -0.789 -5.592 -4.598 1.00 0.00 C ATOM 899 O TYR A 60 -1.811 -5.581 -3.911 1.00 0.00 O ATOM 900 CB TYR A 60 -0.159 -7.800 -3.606 1.00 0.00 C ATOM 901 CG TYR A 60 0.535 -9.135 -3.764 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.917 -9.211 -3.884 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.192 -10.318 -3.793 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.554 -10.428 -4.029 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.437 -11.540 -3.936 1.00 0.00 C ATOM 906 CZ TYR A 60 1.810 -11.589 -4.055 1.00 0.00 C ATOM 907 OH TYR A 60 2.442 -12.804 -4.198 1.00 0.00 O ATOM 0 H TYR A 60 1.887 -6.163 -4.305 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.424 -7.387 -5.698 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.244 -7.292 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.219 -7.971 -3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.503 -8.304 -3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.268 -10.282 -3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.629 -10.470 -4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.143 -12.451 -3.954 1.00 0.00 H new ATOM 0 HH TYR A 60 1.775 -13.522 -4.196 1.00 0.00 H new ATOM 917 N ILE A 61 -0.298 -4.505 -5.183 1.00 0.00 N ATOM 918 CA ILE A 61 -0.947 -3.207 -5.049 1.00 0.00 C ATOM 919 C ILE A 61 -0.596 -2.293 -6.218 1.00 0.00 C ATOM 920 O ILE A 61 0.465 -2.428 -6.829 1.00 0.00 O ATOM 921 CB ILE A 61 -0.550 -2.513 -3.733 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.941 -2.171 -3.740 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.891 -3.398 -2.543 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.250 -0.825 -4.357 1.00 0.00 C ATOM 0 H ILE A 61 0.547 -4.497 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.021 -3.391 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.115 -1.585 -3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.314 -2.186 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.480 -2.945 -4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.604 -2.893 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.963 -3.595 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.350 -4.341 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.325 -0.650 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.908 -0.812 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.739 -0.042 -3.797 1.00 0.00 H new ATOM 936 N VAL A 62 -1.493 -1.361 -6.525 1.00 0.00 N ATOM 937 CA VAL A 62 -1.277 -0.423 -7.619 1.00 0.00 C ATOM 938 C VAL A 62 -1.141 1.004 -7.100 1.00 0.00 C ATOM 939 O VAL A 62 -2.122 1.621 -6.684 1.00 0.00 O ATOM 940 CB VAL A 62 -2.428 -0.478 -8.641 1.00 0.00 C ATOM 941 CG1 VAL A 62 -2.212 0.546 -9.745 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.559 -1.879 -9.220 1.00 0.00 C ATOM 0 H VAL A 62 -2.376 -1.236 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.350 -0.718 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.358 -0.233 -8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.035 0.492 -10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.172 1.545 -9.312 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.274 0.335 -10.258 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.377 -1.900 -9.940 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.630 -2.155 -9.718 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.764 -2.587 -8.417 1.00 0.00 H new ATOM 952 N VAL A 63 0.082 1.525 -7.128 1.00 0.00 N ATOM 953 CA VAL A 63 0.347 2.880 -6.662 1.00 0.00 C ATOM 954 C VAL A 63 -0.209 3.914 -7.635 1.00 0.00 C ATOM 955 O VAL A 63 0.318 4.094 -8.732 1.00 0.00 O ATOM 956 CB VAL A 63 1.856 3.125 -6.478 1.00 0.00 C ATOM 957 CG1 VAL A 63 2.122 4.579 -6.118 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.421 2.193 -5.416 1.00 0.00 C ATOM 0 H VAL A 63 0.905 1.028 -7.469 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.151 2.986 -5.698 1.00 0.00 H new ATOM 0 HB VAL A 63 2.358 2.912 -7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.194 4.732 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.754 5.224 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.609 4.823 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.488 2.380 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.915 2.373 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.265 1.158 -5.720 1.00 0.00 H new