USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 478 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 13 GLN : amide:sc= -0.427 K(o=-0.43,f=-2.7!) USER MOD Single : A 14 TYR OH : rot 61:sc= 0.127 USER MOD Single : A 15 SER OG : rot -150:sc= 0.0157 USER MOD Single : A 16 HIS : no HE2:sc=0.000696 X(o=0.0007,f=-0.026) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 26 SER OG : rot 180:sc= -1.67 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 90:sc= 0.596 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.55) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00286 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0784 USER MOD Single : A 43 THR OG1 : rot 106:sc= -1.33 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.287) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.123) USER MOD Single : A 51 THR OG1 : rot -155:sc= 0.312 USER MOD Single : A 52 HIS : no HD1:sc= -2.97! K(o=-3!,f=-1.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -113:sc= 0.0433 USER MOD Single : A 63 SER OG : rot 96:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 137 N CYS A 10 9.321 -1.927 -3.790 1.00 0.00 N ATOM 138 CA CYS A 10 8.540 -2.373 -4.979 1.00 0.00 C ATOM 139 C CYS A 10 7.443 -3.352 -4.551 1.00 0.00 C ATOM 140 O CYS A 10 7.126 -3.469 -3.383 1.00 0.00 O ATOM 141 CB CYS A 10 9.559 -3.070 -5.882 1.00 0.00 C ATOM 142 SG CYS A 10 10.899 -1.922 -6.284 1.00 0.00 S ATOM 0 HA CYS A 10 8.046 -1.544 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.960 -3.952 -5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.075 -3.414 -6.796 1.00 0.00 H new ATOM 147 N CYS A 11 6.864 -4.058 -5.482 1.00 0.00 N ATOM 148 CA CYS A 11 5.791 -5.030 -5.120 1.00 0.00 C ATOM 149 C CYS A 11 5.762 -6.187 -6.123 1.00 0.00 C ATOM 150 O CYS A 11 5.260 -6.056 -7.222 1.00 0.00 O ATOM 151 CB CYS A 11 4.489 -4.231 -5.189 1.00 0.00 C ATOM 152 SG CYS A 11 4.290 -3.266 -3.671 1.00 0.00 S ATOM 0 H CYS A 11 7.086 -4.005 -6.476 1.00 0.00 H new ATOM 0 HA CYS A 11 5.949 -5.467 -4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.502 -3.568 -6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.642 -4.906 -5.317 1.00 0.00 H new ATOM 157 N PHE A 12 6.295 -7.319 -5.753 1.00 0.00 N ATOM 158 CA PHE A 12 6.297 -8.481 -6.684 1.00 0.00 C ATOM 159 C PHE A 12 5.200 -9.476 -6.290 1.00 0.00 C ATOM 160 O PHE A 12 5.248 -10.638 -6.640 1.00 0.00 O ATOM 161 CB PHE A 12 7.681 -9.112 -6.525 1.00 0.00 C ATOM 162 CG PHE A 12 8.692 -8.319 -7.320 1.00 0.00 C ATOM 163 CD1 PHE A 12 9.283 -7.180 -6.761 1.00 0.00 C ATOM 164 CD2 PHE A 12 9.041 -8.725 -8.615 1.00 0.00 C ATOM 165 CE1 PHE A 12 10.223 -6.446 -7.496 1.00 0.00 C ATOM 166 CE2 PHE A 12 9.979 -7.990 -9.350 1.00 0.00 C ATOM 167 CZ PHE A 12 10.570 -6.852 -8.790 1.00 0.00 C ATOM 0 H PHE A 12 6.729 -7.489 -4.846 1.00 0.00 H new ATOM 0 HA PHE A 12 6.101 -8.187 -7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.965 -9.131 -5.473 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.662 -10.146 -6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 12 9.014 -6.867 -5.763 1.00 0.00 H new ATOM 0 HD2 PHE A 12 8.586 -9.605 -9.046 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.680 -5.568 -7.065 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.246 -8.301 -10.349 1.00 0.00 H new ATOM 0 HZ PHE A 12 11.295 -6.286 -9.357 1.00 0.00 H new ATOM 177 N GLN A 13 4.210 -9.027 -5.564 1.00 0.00 N ATOM 178 CA GLN A 13 3.111 -9.944 -5.148 1.00 0.00 C ATOM 179 C GLN A 13 1.835 -9.144 -4.866 1.00 0.00 C ATOM 180 O GLN A 13 1.884 -8.029 -4.387 1.00 0.00 O ATOM 181 CB GLN A 13 3.616 -10.617 -3.872 1.00 0.00 C ATOM 182 CG GLN A 13 2.971 -11.996 -3.728 1.00 0.00 C ATOM 183 CD GLN A 13 3.565 -12.951 -4.765 1.00 0.00 C ATOM 184 OE1 GLN A 13 4.687 -12.775 -5.196 1.00 0.00 O ATOM 185 NE2 GLN A 13 2.856 -13.963 -5.186 1.00 0.00 N ATOM 0 H GLN A 13 4.116 -8.064 -5.241 1.00 0.00 H new ATOM 0 HA GLN A 13 2.866 -10.672 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.701 -10.714 -3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.377 -10.001 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.139 -12.384 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.892 -11.920 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.914 -14.111 -4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.244 -14.606 -5.877 1.00 0.00 H new ATOM 194 N TYR A 14 0.692 -9.705 -5.159 1.00 0.00 N ATOM 195 CA TYR A 14 -0.582 -8.976 -4.907 1.00 0.00 C ATOM 196 C TYR A 14 -1.570 -9.880 -4.163 1.00 0.00 C ATOM 197 O TYR A 14 -1.996 -10.899 -4.667 1.00 0.00 O ATOM 198 CB TYR A 14 -1.115 -8.615 -6.295 1.00 0.00 C ATOM 199 CG TYR A 14 -0.090 -7.780 -7.025 1.00 0.00 C ATOM 200 CD1 TYR A 14 0.553 -6.725 -6.365 1.00 0.00 C ATOM 201 CD2 TYR A 14 0.221 -8.062 -8.360 1.00 0.00 C ATOM 202 CE1 TYR A 14 1.504 -5.952 -7.039 1.00 0.00 C ATOM 203 CE2 TYR A 14 1.173 -7.288 -9.035 1.00 0.00 C ATOM 204 CZ TYR A 14 1.815 -6.233 -8.375 1.00 0.00 C ATOM 205 OH TYR A 14 2.755 -5.471 -9.040 1.00 0.00 O ATOM 0 H TYR A 14 0.587 -10.636 -5.562 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.437 -8.091 -4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.331 -9.521 -6.861 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.051 -8.064 -6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.314 -6.508 -5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.273 -8.876 -8.869 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.998 -5.138 -6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.412 -7.505 -10.066 1.00 0.00 H new ATOM 0 HH TYR A 14 3.619 -5.547 -8.584 1.00 0.00 H new ATOM 215 N SER A 15 -1.933 -9.514 -2.963 1.00 0.00 N ATOM 216 CA SER A 15 -2.888 -10.353 -2.182 1.00 0.00 C ATOM 217 C SER A 15 -4.306 -10.217 -2.741 1.00 0.00 C ATOM 218 O SER A 15 -4.543 -9.518 -3.706 1.00 0.00 O ATOM 219 CB SER A 15 -2.823 -9.803 -0.759 1.00 0.00 C ATOM 220 OG SER A 15 -1.468 -9.540 -0.418 1.00 0.00 O ATOM 0 H SER A 15 -1.610 -8.670 -2.490 1.00 0.00 H new ATOM 0 HA SER A 15 -2.633 -11.412 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.413 -8.890 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.253 -10.520 -0.060 1.00 0.00 H new ATOM 0 HG SER A 15 -1.346 -9.654 0.548 1.00 0.00 H new ATOM 226 N HIS A 16 -5.251 -10.885 -2.137 1.00 0.00 N ATOM 227 CA HIS A 16 -6.658 -10.803 -2.622 1.00 0.00 C ATOM 228 C HIS A 16 -7.626 -11.023 -1.455 1.00 0.00 C ATOM 229 O HIS A 16 -8.554 -11.801 -1.543 1.00 0.00 O ATOM 230 CB HIS A 16 -6.787 -11.934 -3.645 1.00 0.00 C ATOM 231 CG HIS A 16 -7.717 -11.510 -4.749 1.00 0.00 C ATOM 232 ND1 HIS A 16 -9.079 -11.349 -4.547 1.00 0.00 N ATOM 233 CD2 HIS A 16 -7.497 -11.213 -6.071 1.00 0.00 C ATOM 234 CE1 HIS A 16 -9.621 -10.972 -5.719 1.00 0.00 C ATOM 235 NE2 HIS A 16 -8.700 -10.873 -6.682 1.00 0.00 N ATOM 0 H HIS A 16 -5.108 -11.486 -1.325 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.894 -9.831 -3.056 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -5.808 -12.181 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.166 -12.834 -3.161 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -9.579 -11.491 -3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.536 -11.239 -6.562 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.673 -10.773 -5.864 1.00 0.00 H new ATOM 243 N LYS A 17 -7.414 -10.343 -0.361 1.00 0.00 N ATOM 244 CA LYS A 17 -8.317 -10.514 0.810 1.00 0.00 C ATOM 245 C LYS A 17 -8.535 -9.171 1.519 1.00 0.00 C ATOM 246 O LYS A 17 -7.661 -8.327 1.522 1.00 0.00 O ATOM 247 CB LYS A 17 -7.588 -11.495 1.729 1.00 0.00 C ATOM 248 CG LYS A 17 -7.753 -12.917 1.191 1.00 0.00 C ATOM 249 CD LYS A 17 -7.172 -13.916 2.194 1.00 0.00 C ATOM 250 CE LYS A 17 -7.636 -15.330 1.835 1.00 0.00 C ATOM 251 NZ LYS A 17 -6.399 -16.157 1.856 1.00 0.00 N ATOM 0 H LYS A 17 -6.654 -9.676 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.302 -10.879 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.530 -11.237 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.989 -11.429 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.808 -13.131 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.247 -13.014 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.083 -13.866 2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.494 -13.662 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.370 -15.699 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.110 -15.353 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.636 -17.142 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.722 -15.786 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.974 -16.122 2.804 1.00 0.00 H new ATOM 265 N PRO A 18 -9.700 -9.015 2.101 1.00 0.00 N ATOM 266 CA PRO A 18 -10.027 -7.758 2.817 1.00 0.00 C ATOM 267 C PRO A 18 -9.289 -7.695 4.158 1.00 0.00 C ATOM 268 O PRO A 18 -9.623 -8.392 5.095 1.00 0.00 O ATOM 269 CB PRO A 18 -11.535 -7.846 3.032 1.00 0.00 C ATOM 270 CG PRO A 18 -11.848 -9.308 3.012 1.00 0.00 C ATOM 271 CD PRO A 18 -10.810 -9.979 2.147 1.00 0.00 C ATOM 0 HA PRO A 18 -9.731 -6.865 2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.825 -7.394 3.981 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.076 -7.316 2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.830 -9.718 4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.848 -9.481 2.615 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.493 -10.931 2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.197 -10.188 1.150 1.00 0.00 H new ATOM 279 N LEU A 19 -8.293 -6.859 4.256 1.00 0.00 N ATOM 280 CA LEU A 19 -7.539 -6.741 5.536 1.00 0.00 C ATOM 281 C LEU A 19 -8.426 -6.080 6.598 1.00 0.00 C ATOM 282 O LEU A 19 -9.188 -5.187 6.289 1.00 0.00 O ATOM 283 CB LEU A 19 -6.341 -5.846 5.198 1.00 0.00 C ATOM 284 CG LEU A 19 -5.313 -5.903 6.330 1.00 0.00 C ATOM 285 CD1 LEU A 19 -4.608 -7.261 6.314 1.00 0.00 C ATOM 286 CD2 LEU A 19 -4.280 -4.794 6.129 1.00 0.00 C ATOM 0 H LEU A 19 -7.968 -6.251 3.504 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.227 -7.706 5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.884 -6.172 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.674 -4.819 5.049 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.817 -5.768 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.876 -7.300 7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.343 -8.054 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.102 -7.397 5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.545 -4.831 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.777 -4.934 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.780 -3.825 6.138 1.00 0.00 H new ATOM 298 N PRO A 20 -8.304 -6.539 7.818 1.00 0.00 N ATOM 299 CA PRO A 20 -9.119 -5.968 8.920 1.00 0.00 C ATOM 300 C PRO A 20 -8.729 -4.510 9.171 1.00 0.00 C ATOM 301 O PRO A 20 -7.654 -4.216 9.654 1.00 0.00 O ATOM 302 CB PRO A 20 -8.781 -6.856 10.117 1.00 0.00 C ATOM 303 CG PRO A 20 -7.442 -7.432 9.792 1.00 0.00 C ATOM 304 CD PRO A 20 -7.413 -7.605 8.296 1.00 0.00 C ATOM 0 HA PRO A 20 -10.188 -5.955 8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.751 -6.280 11.042 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.527 -7.639 10.253 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.642 -6.770 10.123 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.295 -8.386 10.298 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.404 -7.496 7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.769 -8.591 7.998 1.00 0.00 H new ATOM 312 N TRP A 21 -9.599 -3.595 8.835 1.00 0.00 N ATOM 313 CA TRP A 21 -9.296 -2.147 9.037 1.00 0.00 C ATOM 314 C TRP A 21 -8.746 -1.899 10.444 1.00 0.00 C ATOM 315 O TRP A 21 -7.974 -0.986 10.666 1.00 0.00 O ATOM 316 CB TRP A 21 -10.637 -1.443 8.846 1.00 0.00 C ATOM 317 CG TRP A 21 -11.058 -1.572 7.418 1.00 0.00 C ATOM 318 CD1 TRP A 21 -11.958 -2.467 6.949 1.00 0.00 C ATOM 319 CD2 TRP A 21 -10.608 -0.802 6.266 1.00 0.00 C ATOM 320 NE1 TRP A 21 -12.091 -2.293 5.583 1.00 0.00 N ATOM 321 CE2 TRP A 21 -11.279 -1.279 5.115 1.00 0.00 C ATOM 322 CE3 TRP A 21 -9.693 0.254 6.111 1.00 0.00 C ATOM 323 CZ2 TRP A 21 -11.050 -0.727 3.855 1.00 0.00 C ATOM 324 CZ3 TRP A 21 -9.459 0.811 4.844 1.00 0.00 C ATOM 325 CH2 TRP A 21 -10.137 0.322 3.718 1.00 0.00 C ATOM 0 H TRP A 21 -10.513 -3.790 8.426 1.00 0.00 H new ATOM 0 HA TRP A 21 -8.537 -1.783 8.345 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -11.389 -1.883 9.501 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -10.552 -0.391 9.119 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -12.486 -3.198 7.544 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -12.713 -2.846 4.994 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -9.167 0.639 6.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -11.575 -1.108 2.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -8.753 1.621 4.736 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -9.954 0.756 2.746 1.00 0.00 H new ATOM 336 N THR A 22 -9.127 -2.706 11.394 1.00 0.00 N ATOM 337 CA THR A 22 -8.614 -2.513 12.778 1.00 0.00 C ATOM 338 C THR A 22 -7.086 -2.610 12.779 1.00 0.00 C ATOM 339 O THR A 22 -6.409 -1.945 13.539 1.00 0.00 O ATOM 340 CB THR A 22 -9.222 -3.655 13.590 1.00 0.00 C ATOM 341 OG1 THR A 22 -9.305 -4.818 12.779 1.00 0.00 O ATOM 342 CG2 THR A 22 -10.622 -3.259 14.065 1.00 0.00 C ATOM 0 H THR A 22 -9.770 -3.489 11.272 1.00 0.00 H new ATOM 0 HA THR A 22 -8.878 -1.539 13.190 1.00 0.00 H new ATOM 0 HB THR A 22 -8.593 -3.860 14.456 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.693 -5.552 13.299 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.054 -4.075 14.644 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.556 -2.367 14.688 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.254 -3.052 13.202 1.00 0.00 H new ATOM 350 N TRP A 23 -6.541 -3.434 11.926 1.00 0.00 N ATOM 351 CA TRP A 23 -5.064 -3.581 11.861 1.00 0.00 C ATOM 352 C TRP A 23 -4.501 -2.771 10.691 1.00 0.00 C ATOM 353 O TRP A 23 -3.309 -2.627 10.552 1.00 0.00 O ATOM 354 CB TRP A 23 -4.829 -5.077 11.637 1.00 0.00 C ATOM 355 CG TRP A 23 -4.023 -5.638 12.765 1.00 0.00 C ATOM 356 CD1 TRP A 23 -4.143 -5.279 14.063 1.00 0.00 C ATOM 357 CD2 TRP A 23 -2.980 -6.654 12.716 1.00 0.00 C ATOM 358 NE1 TRP A 23 -3.239 -6.009 14.814 1.00 0.00 N ATOM 359 CE2 TRP A 23 -2.499 -6.871 14.029 1.00 0.00 C ATOM 360 CE3 TRP A 23 -2.410 -7.402 11.670 1.00 0.00 C ATOM 361 CZ2 TRP A 23 -1.490 -7.796 14.295 1.00 0.00 C ATOM 362 CZ3 TRP A 23 -1.393 -8.335 11.934 1.00 0.00 C ATOM 363 CH2 TRP A 23 -0.934 -8.531 13.244 1.00 0.00 C ATOM 0 H TRP A 23 -7.061 -4.014 11.268 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.572 -3.218 12.763 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -5.784 -5.598 11.566 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -4.309 -5.235 10.692 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.832 -4.543 14.450 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.132 -5.921 15.825 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -2.756 -7.258 10.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.140 -7.944 15.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.963 -8.904 11.123 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.152 -9.249 13.441 1.00 0.00 H new ATOM 374 N VAL A 24 -5.343 -2.239 9.846 1.00 0.00 N ATOM 375 CA VAL A 24 -4.825 -1.440 8.698 1.00 0.00 C ATOM 376 C VAL A 24 -4.537 -0.008 9.157 1.00 0.00 C ATOM 377 O VAL A 24 -5.335 0.605 9.838 1.00 0.00 O ATOM 378 CB VAL A 24 -5.936 -1.462 7.650 1.00 0.00 C ATOM 379 CG1 VAL A 24 -5.445 -0.768 6.381 1.00 0.00 C ATOM 380 CG2 VAL A 24 -6.303 -2.912 7.323 1.00 0.00 C ATOM 0 H VAL A 24 -6.358 -2.322 9.900 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.896 -1.844 8.296 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.813 -0.944 8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.235 -0.781 5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.180 0.264 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.569 -1.291 5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.096 -2.927 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.427 -3.430 6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.648 -3.413 8.228 1.00 0.00 H new ATOM 390 N ARG A 25 -3.400 0.529 8.804 1.00 0.00 N ATOM 391 CA ARG A 25 -3.073 1.916 9.239 1.00 0.00 C ATOM 392 C ARG A 25 -3.107 2.883 8.051 1.00 0.00 C ATOM 393 O ARG A 25 -3.550 4.008 8.174 1.00 0.00 O ATOM 394 CB ARG A 25 -1.660 1.830 9.820 1.00 0.00 C ATOM 395 CG ARG A 25 -1.188 3.230 10.223 1.00 0.00 C ATOM 396 CD ARG A 25 -0.678 3.206 11.666 1.00 0.00 C ATOM 397 NE ARG A 25 -0.968 4.567 12.197 1.00 0.00 N ATOM 398 CZ ARG A 25 -0.059 5.208 12.880 1.00 0.00 C ATOM 399 NH1 ARG A 25 0.181 4.876 14.119 1.00 0.00 N ATOM 400 NH2 ARG A 25 0.608 6.182 12.324 1.00 0.00 N ATOM 0 H ARG A 25 -2.688 0.070 8.236 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.793 2.292 9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.651 1.168 10.686 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.978 1.402 9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.396 3.565 9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.008 3.942 10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.183 2.438 12.251 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.389 2.986 11.704 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.877 4.998 12.027 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.342 4.116 14.554 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.891 5.377 14.653 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.419 6.442 11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.318 6.683 12.857 1.00 0.00 H new ATOM 414 N SER A 26 -2.641 2.462 6.906 1.00 0.00 N ATOM 415 CA SER A 26 -2.651 3.376 5.723 1.00 0.00 C ATOM 416 C SER A 26 -2.147 2.643 4.480 1.00 0.00 C ATOM 417 O SER A 26 -2.091 1.431 4.442 1.00 0.00 O ATOM 418 CB SER A 26 -1.697 4.514 6.087 1.00 0.00 C ATOM 419 OG SER A 26 -0.419 3.974 6.395 1.00 0.00 O ATOM 0 H SER A 26 -2.256 1.533 6.737 1.00 0.00 H new ATOM 0 HA SER A 26 -3.654 3.738 5.497 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.617 5.217 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.085 5.070 6.940 1.00 0.00 H new ATOM 0 HG SER A 26 0.196 4.701 6.627 1.00 0.00 H new ATOM 425 N TYR A 27 -1.775 3.371 3.462 1.00 0.00 N ATOM 426 CA TYR A 27 -1.272 2.710 2.226 1.00 0.00 C ATOM 427 C TYR A 27 -0.085 3.499 1.643 1.00 0.00 C ATOM 428 O TYR A 27 0.380 4.460 2.223 1.00 0.00 O ATOM 429 CB TYR A 27 -2.490 2.676 1.272 1.00 0.00 C ATOM 430 CG TYR A 27 -2.435 3.800 0.254 1.00 0.00 C ATOM 431 CD1 TYR A 27 -2.717 5.115 0.641 1.00 0.00 C ATOM 432 CD2 TYR A 27 -2.087 3.519 -1.072 1.00 0.00 C ATOM 433 CE1 TYR A 27 -2.652 6.149 -0.299 1.00 0.00 C ATOM 434 CE2 TYR A 27 -2.024 4.552 -2.012 1.00 0.00 C ATOM 435 CZ TYR A 27 -2.306 5.868 -1.626 1.00 0.00 C ATOM 436 OH TYR A 27 -2.241 6.888 -2.554 1.00 0.00 O ATOM 0 H TYR A 27 -1.798 4.390 3.433 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.891 1.704 2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.521 1.717 0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.409 2.755 1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.985 5.331 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.867 2.504 -1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.869 7.164 -0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.758 4.335 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.986 6.521 -3.426 1.00 0.00 H new ATOM 446 N GLU A 28 0.390 3.104 0.492 1.00 0.00 N ATOM 447 CA GLU A 28 1.530 3.829 -0.144 1.00 0.00 C ATOM 448 C GLU A 28 1.844 3.212 -1.512 1.00 0.00 C ATOM 449 O GLU A 28 1.883 2.008 -1.667 1.00 0.00 O ATOM 450 CB GLU A 28 2.712 3.650 0.810 1.00 0.00 C ATOM 451 CG GLU A 28 3.025 2.161 0.970 1.00 0.00 C ATOM 452 CD GLU A 28 4.112 1.981 2.032 1.00 0.00 C ATOM 453 OE1 GLU A 28 4.129 2.759 2.971 1.00 0.00 O ATOM 454 OE2 GLU A 28 4.909 1.069 1.887 1.00 0.00 O ATOM 0 H GLU A 28 0.036 2.307 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 28 1.305 4.883 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.586 4.176 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.478 4.089 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.125 1.618 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.357 1.744 0.019 1.00 0.00 H new ATOM 461 N PHE A 29 2.063 4.029 -2.507 1.00 0.00 N ATOM 462 CA PHE A 29 2.372 3.488 -3.864 1.00 0.00 C ATOM 463 C PHE A 29 3.879 3.260 -4.014 1.00 0.00 C ATOM 464 O PHE A 29 4.683 3.946 -3.415 1.00 0.00 O ATOM 465 CB PHE A 29 1.891 4.564 -4.839 1.00 0.00 C ATOM 466 CG PHE A 29 1.310 3.910 -6.070 1.00 0.00 C ATOM 467 CD1 PHE A 29 2.140 3.190 -6.938 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.058 4.024 -6.345 1.00 0.00 C ATOM 469 CE1 PHE A 29 1.600 2.584 -8.080 1.00 0.00 C ATOM 470 CE2 PHE A 29 -0.597 3.419 -7.485 1.00 0.00 C ATOM 471 CZ PHE A 29 0.233 2.699 -8.353 1.00 0.00 C ATOM 0 H PHE A 29 2.042 5.047 -2.440 1.00 0.00 H new ATOM 0 HA PHE A 29 1.888 2.528 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.140 5.193 -4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.721 5.214 -5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.196 3.102 -6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.698 4.580 -5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.239 2.028 -8.750 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.653 3.507 -7.696 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.183 2.232 -9.234 1.00 0.00 H new ATOM 481 N THR A 30 4.268 2.298 -4.807 1.00 0.00 N ATOM 482 CA THR A 30 5.723 2.026 -4.992 1.00 0.00 C ATOM 483 C THR A 30 6.429 3.272 -5.533 1.00 0.00 C ATOM 484 O THR A 30 5.827 4.107 -6.182 1.00 0.00 O ATOM 485 CB THR A 30 5.788 0.886 -6.012 1.00 0.00 C ATOM 486 OG1 THR A 30 4.877 1.149 -7.070 1.00 0.00 O ATOM 487 CG2 THR A 30 5.418 -0.434 -5.334 1.00 0.00 C ATOM 0 H THR A 30 3.642 1.689 -5.334 1.00 0.00 H new ATOM 0 HA THR A 30 6.216 1.763 -4.056 1.00 0.00 H new ATOM 0 HB THR A 30 6.800 0.813 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.330 1.660 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.465 -1.243 -6.063 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.118 -0.635 -4.523 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.407 -0.366 -4.933 1.00 0.00 H new ATOM 495 N SER A 31 7.701 3.405 -5.272 1.00 0.00 N ATOM 496 CA SER A 31 8.446 4.597 -5.771 1.00 0.00 C ATOM 497 C SER A 31 8.845 4.400 -7.235 1.00 0.00 C ATOM 498 O SER A 31 8.806 3.304 -7.758 1.00 0.00 O ATOM 499 CB SER A 31 9.688 4.687 -4.885 1.00 0.00 C ATOM 500 OG SER A 31 9.376 5.425 -3.710 1.00 0.00 O ATOM 0 H SER A 31 8.257 2.740 -4.735 1.00 0.00 H new ATOM 0 HA SER A 31 7.846 5.506 -5.727 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.032 3.687 -4.620 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.501 5.171 -5.427 1.00 0.00 H new ATOM 0 HG SER A 31 10.171 5.483 -3.139 1.00 0.00 H new ATOM 506 N ASN A 32 9.232 5.455 -7.902 1.00 0.00 N ATOM 507 CA ASN A 32 9.636 5.329 -9.332 1.00 0.00 C ATOM 508 C ASN A 32 10.968 4.580 -9.438 1.00 0.00 C ATOM 509 O ASN A 32 11.985 5.146 -9.787 1.00 0.00 O ATOM 510 CB ASN A 32 9.786 6.767 -9.831 1.00 0.00 C ATOM 511 CG ASN A 32 8.994 6.941 -11.128 1.00 0.00 C ATOM 512 OD1 ASN A 32 7.888 6.452 -11.250 1.00 0.00 O ATOM 513 ND2 ASN A 32 9.517 7.622 -12.110 1.00 0.00 N ATOM 0 H ASN A 32 9.286 6.398 -7.518 1.00 0.00 H new ATOM 0 HA ASN A 32 8.909 4.770 -9.920 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.425 7.465 -9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.838 6.997 -10.001 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.998 7.744 -12.979 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.445 8.033 -12.008 1.00 0.00 H new ATOM 520 N SER A 33 10.969 3.312 -9.137 1.00 0.00 N ATOM 521 CA SER A 33 12.231 2.525 -9.217 1.00 0.00 C ATOM 522 C SER A 33 11.917 1.027 -9.191 1.00 0.00 C ATOM 523 O SER A 33 12.675 0.231 -8.672 1.00 0.00 O ATOM 524 CB SER A 33 13.027 2.929 -7.978 1.00 0.00 C ATOM 525 OG SER A 33 12.190 2.838 -6.832 1.00 0.00 O ATOM 0 H SER A 33 10.148 2.785 -8.838 1.00 0.00 H new ATOM 0 HA SER A 33 12.784 2.718 -10.136 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.895 2.280 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.403 3.946 -8.089 1.00 0.00 H new ATOM 0 HG SER A 33 12.698 3.095 -6.034 1.00 0.00 H new ATOM 531 N CYS A 34 10.802 0.638 -9.748 1.00 0.00 N ATOM 532 CA CYS A 34 10.434 -0.807 -9.755 1.00 0.00 C ATOM 533 C CYS A 34 9.891 -1.205 -11.131 1.00 0.00 C ATOM 534 O CYS A 34 9.064 -0.523 -11.703 1.00 0.00 O ATOM 535 CB CYS A 34 9.343 -0.946 -8.691 1.00 0.00 C ATOM 536 SG CYS A 34 9.959 -0.332 -7.103 1.00 0.00 S ATOM 0 H CYS A 34 10.130 1.259 -10.199 1.00 0.00 H new ATOM 0 HA CYS A 34 11.289 -1.451 -9.549 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.457 -0.386 -8.990 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.044 -1.990 -8.597 1.00 0.00 H new ATOM 541 N SER A 35 10.350 -2.304 -11.665 1.00 0.00 N ATOM 542 CA SER A 35 9.857 -2.743 -13.003 1.00 0.00 C ATOM 543 C SER A 35 8.332 -2.882 -12.984 1.00 0.00 C ATOM 544 O SER A 35 7.682 -2.841 -14.010 1.00 0.00 O ATOM 545 CB SER A 35 10.515 -4.101 -13.243 1.00 0.00 C ATOM 546 OG SER A 35 10.346 -4.914 -12.090 1.00 0.00 O ATOM 0 H SER A 35 11.043 -2.916 -11.235 1.00 0.00 H new ATOM 0 HA SER A 35 10.102 -2.028 -13.788 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.070 -4.585 -14.112 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.576 -3.971 -13.459 1.00 0.00 H new ATOM 0 HG SER A 35 10.765 -5.787 -12.241 1.00 0.00 H new ATOM 552 N GLN A 36 7.757 -3.046 -11.824 1.00 0.00 N ATOM 553 CA GLN A 36 6.274 -3.188 -11.739 1.00 0.00 C ATOM 554 C GLN A 36 5.735 -2.386 -10.552 1.00 0.00 C ATOM 555 O GLN A 36 5.795 -2.821 -9.418 1.00 0.00 O ATOM 556 CB GLN A 36 6.032 -4.684 -11.534 1.00 0.00 C ATOM 557 CG GLN A 36 6.167 -5.412 -12.873 1.00 0.00 C ATOM 558 CD GLN A 36 5.550 -6.806 -12.758 1.00 0.00 C ATOM 559 OE1 GLN A 36 4.371 -6.984 -12.998 1.00 0.00 O ATOM 560 NE2 GLN A 36 6.300 -7.812 -12.399 1.00 0.00 N ATOM 0 H GLN A 36 8.249 -3.088 -10.931 1.00 0.00 H new ATOM 0 HA GLN A 36 5.769 -2.813 -12.629 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.749 -5.084 -10.817 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.038 -4.849 -11.117 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.668 -4.845 -13.659 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.218 -5.489 -13.153 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.289 -7.664 -12.197 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.897 -8.746 -12.320 1.00 0.00 H new ATOM 569 N ARG A 37 5.211 -1.218 -10.803 1.00 0.00 N ATOM 570 CA ARG A 37 4.671 -0.387 -9.690 1.00 0.00 C ATOM 571 C ARG A 37 3.432 -1.055 -9.082 1.00 0.00 C ATOM 572 O ARG A 37 2.803 -1.892 -9.699 1.00 0.00 O ATOM 573 CB ARG A 37 4.306 0.952 -10.339 1.00 0.00 C ATOM 574 CG ARG A 37 3.153 0.751 -11.329 1.00 0.00 C ATOM 575 CD ARG A 37 3.102 1.929 -12.304 1.00 0.00 C ATOM 576 NE ARG A 37 1.740 1.868 -12.905 1.00 0.00 N ATOM 577 CZ ARG A 37 1.577 2.098 -14.180 1.00 0.00 C ATOM 578 NH1 ARG A 37 2.290 3.016 -14.773 1.00 0.00 N ATOM 579 NH2 ARG A 37 0.701 1.411 -14.860 1.00 0.00 N ATOM 0 H ARG A 37 5.133 -0.803 -11.731 1.00 0.00 H new ATOM 0 HA ARG A 37 5.388 -0.262 -8.879 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.018 1.672 -9.573 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.173 1.365 -10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.289 -0.182 -11.877 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.208 0.670 -10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.265 2.876 -11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.875 1.844 -13.067 1.00 0.00 H new ATOM 0 HE ARG A 37 0.934 1.646 -12.320 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.974 3.553 -14.241 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.163 3.196 -15.769 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.143 0.694 -14.396 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.574 1.591 -15.856 1.00 0.00 H new ATOM 593 N ALA A 38 3.075 -0.691 -7.881 1.00 0.00 N ATOM 594 CA ALA A 38 1.876 -1.308 -7.246 1.00 0.00 C ATOM 595 C ALA A 38 1.500 -0.556 -5.966 1.00 0.00 C ATOM 596 O ALA A 38 2.332 0.052 -5.322 1.00 0.00 O ATOM 597 CB ALA A 38 2.292 -2.742 -6.921 1.00 0.00 C ATOM 0 H ALA A 38 3.560 0.004 -7.314 1.00 0.00 H new ATOM 0 HA ALA A 38 1.004 -1.273 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.460 -3.264 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.569 -3.258 -7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.144 -2.729 -6.241 1.00 0.00 H new ATOM 603 N VAL A 39 0.250 -0.600 -5.592 1.00 0.00 N ATOM 604 CA VAL A 39 -0.187 0.105 -4.352 1.00 0.00 C ATOM 605 C VAL A 39 0.052 -0.791 -3.135 1.00 0.00 C ATOM 606 O VAL A 39 0.017 -1.999 -3.232 1.00 0.00 O ATOM 607 CB VAL A 39 -1.679 0.359 -4.555 1.00 0.00 C ATOM 608 CG1 VAL A 39 -2.244 1.092 -3.338 1.00 0.00 C ATOM 609 CG2 VAL A 39 -1.880 1.218 -5.806 1.00 0.00 C ATOM 0 H VAL A 39 -0.489 -1.094 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 39 0.361 1.031 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.197 -0.592 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.309 1.273 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.098 0.482 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.728 2.044 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.944 1.401 -5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.362 2.169 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.477 0.696 -6.674 1.00 0.00 H new ATOM 619 N ILE A 40 0.307 -0.214 -1.993 1.00 0.00 N ATOM 620 CA ILE A 40 0.561 -1.047 -0.787 1.00 0.00 C ATOM 621 C ILE A 40 -0.291 -0.573 0.396 1.00 0.00 C ATOM 622 O ILE A 40 -0.518 0.606 0.585 1.00 0.00 O ATOM 623 CB ILE A 40 2.046 -0.841 -0.490 1.00 0.00 C ATOM 624 CG1 ILE A 40 2.882 -1.395 -1.644 1.00 0.00 C ATOM 625 CG2 ILE A 40 2.416 -1.566 0.800 1.00 0.00 C ATOM 626 CD1 ILE A 40 4.251 -0.712 -1.657 1.00 0.00 C ATOM 0 H ILE A 40 0.350 0.794 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 40 0.305 -2.094 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 40 2.246 0.225 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.003 -2.473 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.370 -1.226 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.475 -1.418 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.824 -1.168 1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.214 -2.631 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.847 -1.107 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.120 0.362 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.762 -0.904 -0.714 1.00 0.00 H new ATOM 638 N PHE A 41 -0.742 -1.491 1.206 1.00 0.00 N ATOM 639 CA PHE A 41 -1.555 -1.121 2.400 1.00 0.00 C ATOM 640 C PHE A 41 -0.793 -1.550 3.653 1.00 0.00 C ATOM 641 O PHE A 41 -0.490 -2.715 3.826 1.00 0.00 O ATOM 642 CB PHE A 41 -2.857 -1.915 2.268 1.00 0.00 C ATOM 643 CG PHE A 41 -3.583 -1.505 1.009 1.00 0.00 C ATOM 644 CD1 PHE A 41 -3.999 -0.180 0.841 1.00 0.00 C ATOM 645 CD2 PHE A 41 -3.847 -2.454 0.014 1.00 0.00 C ATOM 646 CE1 PHE A 41 -4.675 0.199 -0.324 1.00 0.00 C ATOM 647 CE2 PHE A 41 -4.525 -2.075 -1.150 1.00 0.00 C ATOM 648 CZ PHE A 41 -4.939 -0.750 -1.319 1.00 0.00 C ATOM 0 H PHE A 41 -0.581 -2.492 1.091 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.752 -0.051 2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.641 -2.983 2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.490 -1.739 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.798 0.551 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.528 -3.477 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.993 1.223 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.729 -2.806 -1.918 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.463 -0.459 -2.217 1.00 0.00 H new ATOM 658 N THR A 42 -0.459 -0.636 4.523 1.00 0.00 N ATOM 659 CA THR A 42 0.305 -1.037 5.738 1.00 0.00 C ATOM 660 C THR A 42 -0.637 -1.267 6.921 1.00 0.00 C ATOM 661 O THR A 42 -1.726 -0.728 6.981 1.00 0.00 O ATOM 662 CB THR A 42 1.267 0.118 6.015 1.00 0.00 C ATOM 663 OG1 THR A 42 2.052 -0.185 7.159 1.00 0.00 O ATOM 664 CG2 THR A 42 0.471 1.395 6.262 1.00 0.00 C ATOM 0 H THR A 42 -0.678 0.357 4.447 1.00 0.00 H new ATOM 0 HA THR A 42 0.840 -1.975 5.589 1.00 0.00 H new ATOM 0 HB THR A 42 1.921 0.262 5.155 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.670 0.554 7.337 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.157 2.219 6.460 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.129 1.626 5.382 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.185 1.255 7.121 1.00 0.00 H new ATOM 672 N THR A 43 -0.222 -2.081 7.855 1.00 0.00 N ATOM 673 CA THR A 43 -1.085 -2.378 9.034 1.00 0.00 C ATOM 674 C THR A 43 -0.559 -1.685 10.296 1.00 0.00 C ATOM 675 O THR A 43 0.288 -0.816 10.236 1.00 0.00 O ATOM 676 CB THR A 43 -1.014 -3.898 9.194 1.00 0.00 C ATOM 677 OG1 THR A 43 0.341 -4.316 9.115 1.00 0.00 O ATOM 678 CG2 THR A 43 -1.822 -4.569 8.084 1.00 0.00 C ATOM 0 H THR A 43 0.681 -2.555 7.851 1.00 0.00 H new ATOM 0 HA THR A 43 -2.104 -2.018 8.890 1.00 0.00 H new ATOM 0 HB THR A 43 -1.428 -4.182 10.162 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.662 -4.556 10.009 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.770 -5.652 8.200 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.862 -4.247 8.145 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.411 -4.288 7.114 1.00 0.00 H new ATOM 686 N LYS A 44 -1.068 -2.065 11.440 1.00 0.00 N ATOM 687 CA LYS A 44 -0.618 -1.434 12.713 1.00 0.00 C ATOM 688 C LYS A 44 0.674 -2.088 13.215 1.00 0.00 C ATOM 689 O LYS A 44 1.426 -1.497 13.964 1.00 0.00 O ATOM 690 CB LYS A 44 -1.761 -1.685 13.698 1.00 0.00 C ATOM 691 CG LYS A 44 -2.978 -0.850 13.295 1.00 0.00 C ATOM 692 CD LYS A 44 -3.037 0.416 14.152 1.00 0.00 C ATOM 693 CE LYS A 44 -4.156 1.327 13.642 1.00 0.00 C ATOM 694 NZ LYS A 44 -3.660 2.712 13.875 1.00 0.00 N ATOM 0 H LYS A 44 -1.779 -2.789 11.545 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.402 -0.373 12.590 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.021 -2.744 13.707 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.447 -1.425 14.709 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.916 -0.585 12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.890 -1.432 13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.214 0.154 15.195 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.082 0.939 14.113 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.357 1.152 12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.088 1.146 14.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.468 3.352 14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.058 2.727 14.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.107 3.026 13.052 1.00 0.00 H new ATOM 708 N ARG A 45 0.934 -3.305 12.819 1.00 0.00 N ATOM 709 CA ARG A 45 2.176 -3.990 13.287 1.00 0.00 C ATOM 710 C ARG A 45 3.365 -3.644 12.383 1.00 0.00 C ATOM 711 O ARG A 45 4.409 -4.260 12.460 1.00 0.00 O ATOM 712 CB ARG A 45 1.859 -5.483 13.205 1.00 0.00 C ATOM 713 CG ARG A 45 1.654 -6.038 14.616 1.00 0.00 C ATOM 714 CD ARG A 45 2.953 -5.898 15.414 1.00 0.00 C ATOM 715 NE ARG A 45 2.527 -5.436 16.763 1.00 0.00 N ATOM 716 CZ ARG A 45 3.346 -4.738 17.502 1.00 0.00 C ATOM 717 NH1 ARG A 45 4.364 -5.318 18.076 1.00 0.00 N ATOM 718 NH2 ARG A 45 3.148 -3.459 17.666 1.00 0.00 N ATOM 0 H ARG A 45 0.343 -3.854 12.194 1.00 0.00 H new ATOM 0 HA ARG A 45 2.454 -3.682 14.295 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.963 -5.643 12.606 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.673 -6.012 12.709 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.848 -5.501 15.116 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.356 -7.085 14.567 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.485 -6.847 15.472 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.629 -5.182 14.946 1.00 0.00 H new ATOM 0 HE ARG A 45 1.595 -5.665 17.110 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.521 -6.318 17.947 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.003 -4.772 18.653 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.353 -3.004 17.217 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.788 -2.914 18.243 1.00 0.00 H new ATOM 732 N GLY A 46 3.223 -2.665 11.531 1.00 0.00 N ATOM 733 CA GLY A 46 4.355 -2.291 10.636 1.00 0.00 C ATOM 734 C GLY A 46 4.423 -3.263 9.456 1.00 0.00 C ATOM 735 O GLY A 46 5.459 -3.440 8.847 1.00 0.00 O ATOM 0 H GLY A 46 2.375 -2.110 11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.223 -1.272 10.273 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.293 -2.312 11.191 1.00 0.00 H new ATOM 739 N LYS A 47 3.330 -3.894 9.127 1.00 0.00 N ATOM 740 CA LYS A 47 3.338 -4.850 7.988 1.00 0.00 C ATOM 741 C LYS A 47 2.780 -4.176 6.731 1.00 0.00 C ATOM 742 O LYS A 47 1.662 -3.702 6.714 1.00 0.00 O ATOM 743 CB LYS A 47 2.432 -6.001 8.427 1.00 0.00 C ATOM 744 CG LYS A 47 3.116 -7.335 8.120 1.00 0.00 C ATOM 745 CD LYS A 47 3.803 -7.861 9.383 1.00 0.00 C ATOM 746 CE LYS A 47 3.571 -9.369 9.500 1.00 0.00 C ATOM 747 NZ LYS A 47 4.875 -9.988 9.130 1.00 0.00 N ATOM 0 H LYS A 47 2.432 -3.788 9.599 1.00 0.00 H new ATOM 0 HA LYS A 47 4.343 -5.195 7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.221 -5.925 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.475 -5.943 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.382 -8.058 7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.848 -7.205 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.871 -7.649 9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.409 -7.352 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.275 -9.646 10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.774 -9.699 8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.796 -11.023 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.127 -9.712 8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.613 -9.661 9.786 1.00 0.00 H new ATOM 761 N LYS A 48 3.552 -4.126 5.678 1.00 0.00 N ATOM 762 CA LYS A 48 3.062 -3.479 4.428 1.00 0.00 C ATOM 763 C LYS A 48 2.695 -4.539 3.388 1.00 0.00 C ATOM 764 O LYS A 48 3.530 -5.305 2.946 1.00 0.00 O ATOM 765 CB LYS A 48 4.228 -2.624 3.936 1.00 0.00 C ATOM 766 CG LYS A 48 4.384 -1.403 4.846 1.00 0.00 C ATOM 767 CD LYS A 48 5.615 -1.584 5.734 1.00 0.00 C ATOM 768 CE LYS A 48 6.882 -1.432 4.888 1.00 0.00 C ATOM 769 NZ LYS A 48 7.099 0.037 4.779 1.00 0.00 N ATOM 0 H LYS A 48 4.498 -4.504 5.630 1.00 0.00 H new ATOM 0 HA LYS A 48 2.166 -2.883 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.147 -3.210 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.051 -2.305 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.485 -0.499 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.493 -1.279 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.610 -0.846 6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.595 -2.567 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.733 -1.923 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.757 -1.886 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.363 0.277 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.223 0.537 5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.862 0.324 5.425 1.00 0.00 H new ATOM 783 N VAL A 49 1.454 -4.587 2.994 1.00 0.00 N ATOM 784 CA VAL A 49 1.034 -5.600 1.980 1.00 0.00 C ATOM 785 C VAL A 49 0.950 -4.961 0.590 1.00 0.00 C ATOM 786 O VAL A 49 0.279 -3.968 0.392 1.00 0.00 O ATOM 787 CB VAL A 49 -0.347 -6.071 2.434 1.00 0.00 C ATOM 788 CG1 VAL A 49 -0.873 -7.126 1.458 1.00 0.00 C ATOM 789 CG2 VAL A 49 -0.244 -6.679 3.834 1.00 0.00 C ATOM 0 H VAL A 49 0.712 -3.972 3.328 1.00 0.00 H new ATOM 0 HA VAL A 49 1.743 -6.424 1.908 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.031 -5.222 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.858 -7.462 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.947 -6.694 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.189 -7.975 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.229 -7.015 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.440 -7.527 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.130 -5.928 4.530 1.00 0.00 H new ATOM 799 N CYS A 50 1.627 -5.526 -0.374 1.00 0.00 N ATOM 800 CA CYS A 50 1.586 -4.953 -1.751 1.00 0.00 C ATOM 801 C CYS A 50 0.262 -5.313 -2.434 1.00 0.00 C ATOM 802 O CYS A 50 -0.352 -6.315 -2.130 1.00 0.00 O ATOM 803 CB CYS A 50 2.759 -5.602 -2.490 1.00 0.00 C ATOM 804 SG CYS A 50 4.270 -4.647 -2.195 1.00 0.00 S ATOM 0 H CYS A 50 2.206 -6.359 -0.268 1.00 0.00 H new ATOM 0 HA CYS A 50 1.659 -3.865 -1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.893 -6.628 -2.148 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.548 -5.647 -3.559 1.00 0.00 H new ATOM 809 N THR A 51 -0.177 -4.501 -3.357 1.00 0.00 N ATOM 810 CA THR A 51 -1.457 -4.792 -4.064 1.00 0.00 C ATOM 811 C THR A 51 -1.464 -4.106 -5.434 1.00 0.00 C ATOM 812 O THR A 51 -0.825 -3.091 -5.632 1.00 0.00 O ATOM 813 CB THR A 51 -2.553 -4.210 -3.168 1.00 0.00 C ATOM 814 OG1 THR A 51 -2.196 -2.890 -2.782 1.00 0.00 O ATOM 815 CG2 THR A 51 -2.716 -5.082 -1.923 1.00 0.00 C ATOM 0 H THR A 51 0.296 -3.647 -3.652 1.00 0.00 H new ATOM 0 HA THR A 51 -1.601 -5.859 -4.236 1.00 0.00 H new ATOM 0 HB THR A 51 -3.495 -4.186 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.647 -2.661 -1.943 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.497 -4.665 -1.287 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.992 -6.094 -2.221 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.776 -5.110 -1.372 1.00 0.00 H new ATOM 823 N HIS A 52 -2.178 -4.652 -6.379 1.00 0.00 N ATOM 824 CA HIS A 52 -2.220 -4.029 -7.733 1.00 0.00 C ATOM 825 C HIS A 52 -3.234 -2.876 -7.760 1.00 0.00 C ATOM 826 O HIS A 52 -4.296 -2.979 -7.179 1.00 0.00 O ATOM 827 CB HIS A 52 -2.663 -5.154 -8.669 1.00 0.00 C ATOM 828 CG HIS A 52 -1.797 -5.158 -9.898 1.00 0.00 C ATOM 829 ND1 HIS A 52 -2.186 -5.783 -11.072 1.00 0.00 N ATOM 830 CD2 HIS A 52 -0.559 -4.618 -10.152 1.00 0.00 C ATOM 831 CE1 HIS A 52 -1.200 -5.607 -11.971 1.00 0.00 C ATOM 832 NE2 HIS A 52 -0.185 -4.903 -11.462 1.00 0.00 N ATOM 0 H HIS A 52 -2.733 -5.501 -6.273 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.257 -3.608 -8.024 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.592 -6.115 -8.159 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.708 -5.018 -8.948 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.033 -4.058 -9.443 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.226 -5.988 -12.981 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.679 -4.632 -11.932 1.00 0.00 H new ATOM 840 N PRO A 53 -2.877 -1.811 -8.435 1.00 0.00 N ATOM 841 CA PRO A 53 -3.783 -0.640 -8.526 1.00 0.00 C ATOM 842 C PRO A 53 -4.921 -0.920 -9.512 1.00 0.00 C ATOM 843 O PRO A 53 -5.951 -0.278 -9.484 1.00 0.00 O ATOM 844 CB PRO A 53 -2.880 0.472 -9.050 1.00 0.00 C ATOM 845 CG PRO A 53 -1.782 -0.229 -9.786 1.00 0.00 C ATOM 846 CD PRO A 53 -1.621 -1.593 -9.164 1.00 0.00 C ATOM 0 HA PRO A 53 -4.255 -0.390 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.427 1.146 -9.708 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.484 1.076 -8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.025 -0.316 -10.845 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.852 0.336 -9.718 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.463 -2.360 -9.922 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.762 -1.626 -8.494 1.00 0.00 H new ATOM 854 N ARG A 54 -4.741 -1.872 -10.387 1.00 0.00 N ATOM 855 CA ARG A 54 -5.813 -2.186 -11.375 1.00 0.00 C ATOM 856 C ARG A 54 -7.012 -2.822 -10.667 1.00 0.00 C ATOM 857 O ARG A 54 -8.149 -2.593 -11.028 1.00 0.00 O ATOM 858 CB ARG A 54 -5.176 -3.176 -12.352 1.00 0.00 C ATOM 859 CG ARG A 54 -4.181 -2.442 -13.255 1.00 0.00 C ATOM 860 CD ARG A 54 -2.791 -3.060 -13.089 1.00 0.00 C ATOM 861 NE ARG A 54 -1.863 -2.109 -13.760 1.00 0.00 N ATOM 862 CZ ARG A 54 -0.572 -2.273 -13.649 1.00 0.00 C ATOM 863 NH1 ARG A 54 0.052 -3.102 -14.440 1.00 0.00 N ATOM 864 NH2 ARG A 54 0.094 -1.606 -12.746 1.00 0.00 N ATOM 0 H ARG A 54 -3.900 -2.445 -10.461 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.181 -1.295 -11.884 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.667 -3.968 -11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.948 -3.653 -12.957 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.499 -2.510 -14.295 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.153 -1.383 -12.998 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.537 -3.183 -12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.741 -4.048 -13.546 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.234 -1.331 -14.305 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.468 -3.623 -15.146 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.060 -3.229 -14.352 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.394 -0.958 -12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.102 -1.733 -12.658 1.00 0.00 H new ATOM 878 N LYS A 55 -6.769 -3.618 -9.661 1.00 0.00 N ATOM 879 CA LYS A 55 -7.900 -4.262 -8.933 1.00 0.00 C ATOM 880 C LYS A 55 -8.778 -3.191 -8.279 1.00 0.00 C ATOM 881 O LYS A 55 -8.320 -2.403 -7.473 1.00 0.00 O ATOM 882 CB LYS A 55 -7.242 -5.151 -7.876 1.00 0.00 C ATOM 883 CG LYS A 55 -7.305 -6.612 -8.329 1.00 0.00 C ATOM 884 CD LYS A 55 -5.886 -7.157 -8.507 1.00 0.00 C ATOM 885 CE LYS A 55 -5.473 -7.041 -9.976 1.00 0.00 C ATOM 886 NZ LYS A 55 -4.832 -8.347 -10.300 1.00 0.00 N ATOM 0 H LYS A 55 -5.839 -3.850 -9.312 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.546 -4.840 -9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.205 -4.850 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.750 -5.033 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.845 -7.208 -7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.855 -6.689 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.190 -6.601 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.843 -8.198 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.336 -6.855 -10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.780 -6.213 -10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.522 -8.345 -11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.010 -8.493 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.517 -9.116 -10.153 1.00 0.00 H new ATOM 900 N LYS A 56 -10.035 -3.152 -8.627 1.00 0.00 N ATOM 901 CA LYS A 56 -10.948 -2.127 -8.040 1.00 0.00 C ATOM 902 C LYS A 56 -10.896 -2.159 -6.508 1.00 0.00 C ATOM 903 O LYS A 56 -10.788 -1.134 -5.863 1.00 0.00 O ATOM 904 CB LYS A 56 -12.343 -2.511 -8.534 1.00 0.00 C ATOM 905 CG LYS A 56 -12.900 -1.393 -9.419 1.00 0.00 C ATOM 906 CD LYS A 56 -12.823 -1.817 -10.888 1.00 0.00 C ATOM 907 CE LYS A 56 -14.178 -1.581 -11.561 1.00 0.00 C ATOM 908 NZ LYS A 56 -14.271 -2.628 -12.616 1.00 0.00 N ATOM 0 H LYS A 56 -10.472 -3.787 -9.295 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.667 -1.117 -8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.297 -3.444 -9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.006 -2.682 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.933 -1.179 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.332 -0.475 -9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.047 -1.249 -11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.548 -2.869 -10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.995 -1.668 -10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.237 -0.581 -11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.174 -2.531 -13.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.484 -2.516 -13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.219 -3.569 -12.177 1.00 0.00 H new ATOM 922 N TRP A 57 -10.985 -3.320 -5.919 1.00 0.00 N ATOM 923 CA TRP A 57 -10.953 -3.400 -4.428 1.00 0.00 C ATOM 924 C TRP A 57 -9.728 -2.645 -3.877 1.00 0.00 C ATOM 925 O TRP A 57 -9.799 -1.985 -2.859 1.00 0.00 O ATOM 926 CB TRP A 57 -10.921 -4.915 -4.109 1.00 0.00 C ATOM 927 CG TRP A 57 -9.517 -5.411 -3.914 1.00 0.00 C ATOM 928 CD1 TRP A 57 -8.855 -6.237 -4.756 1.00 0.00 C ATOM 929 CD2 TRP A 57 -8.603 -5.121 -2.819 1.00 0.00 C ATOM 930 NE1 TRP A 57 -7.590 -6.472 -4.246 1.00 0.00 N ATOM 931 CE2 TRP A 57 -7.388 -5.806 -3.053 1.00 0.00 C ATOM 932 CE3 TRP A 57 -8.710 -4.339 -1.655 1.00 0.00 C ATOM 933 CZ2 TRP A 57 -6.316 -5.713 -2.164 1.00 0.00 C ATOM 934 CZ3 TRP A 57 -7.634 -4.246 -0.759 1.00 0.00 C ATOM 935 CH2 TRP A 57 -6.439 -4.931 -1.013 1.00 0.00 C ATOM 0 H TRP A 57 -11.078 -4.214 -6.402 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.815 -2.928 -3.956 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.504 -5.110 -3.209 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.393 -5.468 -4.921 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -9.249 -6.646 -5.675 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -6.892 -7.065 -4.696 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -9.627 -3.806 -1.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.397 -6.243 -2.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -7.728 -3.643 0.132 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.614 -4.855 -0.320 1.00 0.00 H new ATOM 946 N VAL A 58 -8.611 -2.739 -4.546 1.00 0.00 N ATOM 947 CA VAL A 58 -7.389 -2.029 -4.064 1.00 0.00 C ATOM 948 C VAL A 58 -7.612 -0.518 -4.114 1.00 0.00 C ATOM 949 O VAL A 58 -7.411 0.183 -3.143 1.00 0.00 O ATOM 950 CB VAL A 58 -6.282 -2.428 -5.036 1.00 0.00 C ATOM 951 CG1 VAL A 58 -4.972 -1.754 -4.623 1.00 0.00 C ATOM 952 CG2 VAL A 58 -6.100 -3.948 -5.017 1.00 0.00 C ATOM 0 H VAL A 58 -8.491 -3.276 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.141 -2.290 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.555 -2.110 -6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.182 -2.039 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.098 -0.671 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.702 -2.071 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.309 -4.228 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.830 -4.270 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.032 -4.430 -5.314 1.00 0.00 H new ATOM 962 N GLN A 59 -8.037 -0.012 -5.240 1.00 0.00 N ATOM 963 CA GLN A 59 -8.282 1.450 -5.353 1.00 0.00 C ATOM 964 C GLN A 59 -9.281 1.871 -4.281 1.00 0.00 C ATOM 965 O GLN A 59 -9.301 3.003 -3.841 1.00 0.00 O ATOM 966 CB GLN A 59 -8.874 1.647 -6.750 1.00 0.00 C ATOM 967 CG GLN A 59 -7.778 1.469 -7.802 1.00 0.00 C ATOM 968 CD GLN A 59 -7.500 2.813 -8.479 1.00 0.00 C ATOM 969 OE1 GLN A 59 -7.818 3.854 -7.941 1.00 0.00 O ATOM 970 NE2 GLN A 59 -6.914 2.833 -9.646 1.00 0.00 N ATOM 0 H GLN A 59 -8.225 -0.550 -6.086 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.379 2.045 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.676 0.929 -6.921 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.313 2.641 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.869 1.089 -7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.087 0.733 -8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.647 1.958 -10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.723 3.723 -10.106 1.00 0.00 H new ATOM 979 N LYS A 60 -10.109 0.958 -3.856 1.00 0.00 N ATOM 980 CA LYS A 60 -11.102 1.295 -2.809 1.00 0.00 C ATOM 981 C LYS A 60 -10.406 1.409 -1.452 1.00 0.00 C ATOM 982 O LYS A 60 -10.784 2.207 -0.616 1.00 0.00 O ATOM 983 CB LYS A 60 -12.099 0.135 -2.813 1.00 0.00 C ATOM 984 CG LYS A 60 -13.260 0.464 -3.755 1.00 0.00 C ATOM 985 CD LYS A 60 -14.156 -0.767 -3.910 1.00 0.00 C ATOM 986 CE LYS A 60 -15.473 -0.364 -4.577 1.00 0.00 C ATOM 987 NZ LYS A 60 -15.364 -0.862 -5.977 1.00 0.00 N ATOM 0 H LYS A 60 -10.138 -0.005 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.597 2.248 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.605 -0.782 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.473 -0.040 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.837 1.300 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.877 0.773 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.650 -1.524 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.352 -1.211 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.327 -0.808 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.614 0.717 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.231 -0.623 -6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.547 -0.417 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.238 -1.894 -5.969 1.00 0.00 H new ATOM 1001 N TYR A 61 -9.385 0.624 -1.224 1.00 0.00 N ATOM 1002 CA TYR A 61 -8.673 0.706 0.082 1.00 0.00 C ATOM 1003 C TYR A 61 -7.723 1.906 0.078 1.00 0.00 C ATOM 1004 O TYR A 61 -7.421 2.472 1.109 1.00 0.00 O ATOM 1005 CB TYR A 61 -7.903 -0.609 0.208 1.00 0.00 C ATOM 1006 CG TYR A 61 -8.746 -1.604 0.974 1.00 0.00 C ATOM 1007 CD1 TYR A 61 -9.957 -2.053 0.434 1.00 0.00 C ATOM 1008 CD2 TYR A 61 -8.318 -2.076 2.221 1.00 0.00 C ATOM 1009 CE1 TYR A 61 -10.741 -2.973 1.141 1.00 0.00 C ATOM 1010 CE2 TYR A 61 -9.102 -2.995 2.928 1.00 0.00 C ATOM 1011 CZ TYR A 61 -10.314 -3.444 2.388 1.00 0.00 C ATOM 1012 OH TYR A 61 -11.086 -4.351 3.085 1.00 0.00 O ATOM 0 H TYR A 61 -9.017 -0.064 -1.881 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.354 0.844 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.664 -1.001 -0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.957 -0.443 0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.287 -1.690 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.383 -1.731 2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.675 -3.319 0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.772 -3.358 3.890 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.434 -3.928 3.898 1.00 0.00 H new ATOM 1022 N ILE A 62 -7.270 2.314 -1.076 1.00 0.00 N ATOM 1023 CA ILE A 62 -6.363 3.494 -1.137 1.00 0.00 C ATOM 1024 C ILE A 62 -7.152 4.749 -0.770 1.00 0.00 C ATOM 1025 O ILE A 62 -6.743 5.532 0.065 1.00 0.00 O ATOM 1026 CB ILE A 62 -5.879 3.564 -2.584 1.00 0.00 C ATOM 1027 CG1 ILE A 62 -5.145 2.269 -2.933 1.00 0.00 C ATOM 1028 CG2 ILE A 62 -4.925 4.748 -2.747 1.00 0.00 C ATOM 1029 CD1 ILE A 62 -4.991 2.159 -4.451 1.00 0.00 C ATOM 0 H ILE A 62 -7.488 1.884 -1.975 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.524 3.416 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.733 3.693 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.165 2.255 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.698 1.411 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.580 4.798 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.445 5.672 -2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.069 4.620 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.468 1.235 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.976 2.153 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.419 3.010 -4.821 1.00 0.00 H new ATOM 1041 N SER A 63 -8.293 4.937 -1.378 1.00 0.00 N ATOM 1042 CA SER A 63 -9.119 6.131 -1.049 1.00 0.00 C ATOM 1043 C SER A 63 -9.507 6.083 0.429 1.00 0.00 C ATOM 1044 O SER A 63 -9.444 7.071 1.131 1.00 0.00 O ATOM 1045 CB SER A 63 -10.359 6.017 -1.936 1.00 0.00 C ATOM 1046 OG SER A 63 -9.995 5.435 -3.180 1.00 0.00 O ATOM 0 H SER A 63 -8.686 4.317 -2.086 1.00 0.00 H new ATOM 0 HA SER A 63 -8.592 7.070 -1.220 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.117 5.407 -1.444 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.797 7.002 -2.097 1.00 0.00 H new ATOM 0 HG SER A 63 -10.163 4.470 -3.151 1.00 0.00 H new ATOM 1052 N LEU A 64 -9.897 4.931 0.908 1.00 0.00 N ATOM 1053 CA LEU A 64 -10.275 4.814 2.343 1.00 0.00 C ATOM 1054 C LEU A 64 -9.064 5.145 3.216 1.00 0.00 C ATOM 1055 O LEU A 64 -9.088 6.077 3.994 1.00 0.00 O ATOM 1056 CB LEU A 64 -10.703 3.357 2.525 1.00 0.00 C ATOM 1057 CG LEU A 64 -12.135 3.185 2.015 1.00 0.00 C ATOM 1058 CD1 LEU A 64 -12.428 1.700 1.801 1.00 0.00 C ATOM 1059 CD2 LEU A 64 -13.113 3.754 3.046 1.00 0.00 C ATOM 0 H LEU A 64 -9.969 4.069 0.367 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.073 5.499 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.029 2.697 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.643 3.077 3.577 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.250 3.716 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.449 1.579 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.731 1.294 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.313 1.167 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.134 3.633 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.997 3.222 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.906 4.813 3.198 1.00 0.00 H new ATOM 1071 N LEU A 65 -7.995 4.405 3.081 1.00 0.00 N ATOM 1072 CA LEU A 65 -6.785 4.711 3.898 1.00 0.00 C ATOM 1073 C LEU A 65 -6.291 6.117 3.552 1.00 0.00 C ATOM 1074 O LEU A 65 -6.486 7.058 4.294 1.00 0.00 O ATOM 1075 CB LEU A 65 -5.739 3.659 3.502 1.00 0.00 C ATOM 1076 CG LEU A 65 -6.140 2.275 4.034 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -4.995 1.283 3.799 1.00 0.00 C ATOM 1078 CD2 LEU A 65 -6.428 2.357 5.536 1.00 0.00 C ATOM 0 H LEU A 65 -7.908 3.610 2.447 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.985 4.681 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.643 3.624 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.764 3.940 3.900 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.034 1.940 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.281 0.301 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.787 1.214 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.102 1.627 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.712 1.372 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.535 2.698 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.243 3.059 5.712 1.00 0.00 H new