USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 578 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 Set 1.1: A 119 LYS NZ :NH3+ 163:sc= -0.029 (180deg=-0.264) USER MOD Set 1.2: A 121 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 79 HIS : no HD1:sc= -0.741! C(o=-0.11!,f=-3.5!) USER MOD Set 2.2: A 125 SER OG : rot -107:sc= 0.631 USER MOD Single : A 86 SER OG : rot 150:sc= -1.02 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 98:sc= 0.156 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -157:sc= -0.079 (180deg=-0.49) USER MOD Single : A 115 THR OG1 : rot -170:sc= -0.56 USER MOD Single : A 117 LYS NZ :NH3+ -165:sc=-0.00963 (180deg=-0.127) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.207 K(o=-0.21,f=-3.1!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -0.312 K(o=-0.31,f=-2.4) USER MOD Single : A 137 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.17) USER MOD Single : A 138 GLN : amide:sc= -0.0177 K(o=-0.018,f=-1.1) USER MOD Single : A 139 MET CE :methyl -152:sc= -6! (180deg=-8.03!) USER MOD Single : A 142 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.3!) USER MOD Single : A 148 GLN : amide:sc= 0.327 K(o=0.33,f=-0.4) USER MOD Single : A 151 THR OG1 : rot 86:sc= -2.11! USER MOD Single : A 152 ASN : amide:sc= -1.04 X(o=-1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.293 7.806 -1.684 1.00 0.00 N ATOM 196 CA PHE A 78 5.850 7.794 -1.894 1.00 0.00 C ATOM 197 C PHE A 78 5.237 6.495 -1.378 1.00 0.00 C ATOM 198 O PHE A 78 5.446 5.426 -1.953 1.00 0.00 O ATOM 199 CB PHE A 78 5.529 7.968 -3.380 1.00 0.00 C ATOM 200 CG PHE A 78 6.381 9.000 -4.061 1.00 0.00 C ATOM 201 CD1 PHE A 78 7.638 8.671 -4.543 1.00 0.00 C ATOM 202 CD2 PHE A 78 5.927 10.299 -4.218 1.00 0.00 C ATOM 203 CE1 PHE A 78 8.425 9.618 -5.170 1.00 0.00 C ATOM 204 CE2 PHE A 78 6.709 11.251 -4.845 1.00 0.00 C ATOM 205 CZ PHE A 78 7.960 10.910 -5.321 1.00 0.00 C ATOM 0 HA PHE A 78 5.419 8.625 -1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.658 7.011 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.481 8.246 -3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.007 7.663 -4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.950 10.571 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.403 9.348 -5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.342 12.260 -4.963 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.573 11.652 -5.810 1.00 0.00 H new ATOM 215 N HIS A 79 4.480 6.596 -0.291 1.00 0.00 N ATOM 216 CA HIS A 79 3.836 5.430 0.304 1.00 0.00 C ATOM 217 C HIS A 79 2.515 5.124 -0.395 1.00 0.00 C ATOM 218 O HIS A 79 1.838 6.027 -0.889 1.00 0.00 O ATOM 219 CB HIS A 79 3.595 5.659 1.796 1.00 0.00 C ATOM 220 CG HIS A 79 4.798 6.176 2.524 1.00 0.00 C ATOM 221 ND1 HIS A 79 5.975 6.513 1.889 1.00 0.00 N ATOM 222 CD2 HIS A 79 5.001 6.415 3.841 1.00 0.00 C ATOM 223 CE1 HIS A 79 6.850 6.935 2.784 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.284 6.886 3.977 1.00 0.00 N ATOM 0 H HIS A 79 4.297 7.473 0.196 1.00 0.00 H new ATOM 0 HA HIS A 79 4.501 4.575 0.178 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.774 6.366 1.919 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.279 4.721 2.253 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.287 6.263 4.637 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.857 7.264 2.576 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.728 7.154 4.856 1.00 0.00 H new ATOM 232 N VAL A 80 2.154 3.846 -0.435 1.00 0.00 N ATOM 233 CA VAL A 80 0.914 3.421 -1.073 1.00 0.00 C ATOM 234 C VAL A 80 0.049 2.613 -0.111 1.00 0.00 C ATOM 235 O VAL A 80 0.557 1.811 0.672 1.00 0.00 O ATOM 236 CB VAL A 80 1.191 2.575 -2.330 1.00 0.00 C ATOM 237 CG1 VAL A 80 -0.075 1.866 -2.787 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.755 3.445 -3.443 1.00 0.00 C ATOM 0 H VAL A 80 2.703 3.086 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 80 0.381 4.327 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 80 1.933 1.817 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.141 1.273 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.432 1.211 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.842 2.605 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.945 2.831 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.037 4.226 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.687 3.902 -3.111 1.00 0.00 H new ATOM 248 N PHE A 81 -1.260 2.831 -0.177 1.00 0.00 N ATOM 249 CA PHE A 81 -2.197 2.124 0.689 1.00 0.00 C ATOM 250 C PHE A 81 -2.713 0.857 0.013 1.00 0.00 C ATOM 251 O PHE A 81 -3.091 0.875 -1.159 1.00 0.00 O ATOM 252 CB PHE A 81 -3.371 3.033 1.057 1.00 0.00 C ATOM 253 CG PHE A 81 -4.591 2.284 1.509 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.665 1.762 2.791 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.665 2.100 0.652 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.787 1.072 3.210 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.789 1.411 1.067 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.850 0.896 2.347 1.00 0.00 C ATOM 0 H PHE A 81 -1.696 3.491 -0.821 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.668 1.840 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.059 3.714 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.630 3.646 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.836 1.896 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.623 2.499 -0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.832 0.671 4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.620 1.275 0.390 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.727 0.357 2.672 1.00 0.00 H new ATOM 268 N VAL A 82 -2.725 -0.243 0.759 1.00 0.00 N ATOM 269 CA VAL A 82 -3.194 -1.519 0.233 1.00 0.00 C ATOM 270 C VAL A 82 -4.161 -2.190 1.202 1.00 0.00 C ATOM 271 O VAL A 82 -3.775 -2.605 2.294 1.00 0.00 O ATOM 272 CB VAL A 82 -2.020 -2.476 -0.049 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.492 -3.678 -0.852 1.00 0.00 C ATOM 274 CG2 VAL A 82 -0.901 -1.745 -0.774 1.00 0.00 C ATOM 0 H VAL A 82 -2.415 -0.276 1.730 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.711 -1.305 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.630 -2.837 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.649 -4.343 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.257 -4.213 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.909 -3.341 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.080 -2.435 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.275 -1.354 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.545 -0.920 -0.156 1.00 0.00 H new ATOM 284 N GLY A 83 -5.422 -2.295 0.793 1.00 0.00 N ATOM 285 CA GLY A 83 -6.426 -2.917 1.637 1.00 0.00 C ATOM 286 C GLY A 83 -7.069 -4.122 0.979 1.00 0.00 C ATOM 287 O GLY A 83 -6.723 -4.483 -0.146 1.00 0.00 O ATOM 0 H GLY A 83 -5.766 -1.961 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.968 -3.222 2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.196 -2.185 1.880 1.00 0.00 H new ATOM 291 N ASP A 84 -8.007 -4.747 1.683 1.00 0.00 N ATOM 292 CA ASP A 84 -8.700 -5.919 1.161 1.00 0.00 C ATOM 293 C ASP A 84 -7.729 -7.078 0.955 1.00 0.00 C ATOM 294 O ASP A 84 -7.772 -7.763 -0.068 1.00 0.00 O ATOM 295 CB ASP A 84 -9.397 -5.581 -0.158 1.00 0.00 C ATOM 296 CG ASP A 84 -10.814 -5.083 0.047 1.00 0.00 C ATOM 297 OD1 ASP A 84 -11.102 -4.543 1.136 1.00 0.00 O ATOM 298 OD2 ASP A 84 -11.635 -5.231 -0.882 1.00 0.00 O ATOM 0 H ASP A 84 -8.305 -4.462 2.616 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.450 -6.222 1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.821 -4.821 -0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.415 -6.466 -0.794 1.00 0.00 H new ATOM 303 N LEU A 85 -6.854 -7.290 1.931 1.00 0.00 N ATOM 304 CA LEU A 85 -5.871 -8.366 1.857 1.00 0.00 C ATOM 305 C LEU A 85 -6.294 -9.550 2.721 1.00 0.00 C ATOM 306 O LEU A 85 -6.618 -9.389 3.898 1.00 0.00 O ATOM 307 CB LEU A 85 -4.498 -7.860 2.302 1.00 0.00 C ATOM 308 CG LEU A 85 -4.100 -6.471 1.801 1.00 0.00 C ATOM 309 CD1 LEU A 85 -2.913 -5.939 2.588 1.00 0.00 C ATOM 310 CD2 LEU A 85 -3.781 -6.512 0.314 1.00 0.00 C ATOM 0 H LEU A 85 -6.805 -6.732 2.783 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.810 -8.699 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.471 -7.853 3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.745 -8.574 1.969 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.942 -5.796 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.644 -4.950 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.177 -5.871 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.065 -6.614 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.500 -5.515 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.955 -7.202 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.659 -6.849 -0.237 1.00 0.00 H new ATOM 322 N SER A 86 -6.286 -10.740 2.129 1.00 0.00 N ATOM 323 CA SER A 86 -6.670 -11.952 2.844 1.00 0.00 C ATOM 324 C SER A 86 -5.872 -12.096 4.136 1.00 0.00 C ATOM 325 O SER A 86 -4.760 -11.585 4.270 1.00 0.00 O ATOM 326 CB SER A 86 -6.455 -13.181 1.959 1.00 0.00 C ATOM 327 OG SER A 86 -6.114 -14.316 2.736 1.00 0.00 O ATOM 0 H SER A 86 -6.018 -10.891 1.156 1.00 0.00 H new ATOM 0 HA SER A 86 -7.727 -11.876 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.361 -13.386 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.663 -12.979 1.237 1.00 0.00 H new ATOM 0 HG SER A 86 -6.438 -15.127 2.291 1.00 0.00 H new ATOM 333 N PRO A 87 -6.452 -12.809 5.113 1.00 0.00 N ATOM 334 CA PRO A 87 -5.814 -13.038 6.412 1.00 0.00 C ATOM 335 C PRO A 87 -4.612 -13.971 6.311 1.00 0.00 C ATOM 336 O PRO A 87 -3.879 -14.160 7.281 1.00 0.00 O ATOM 337 CB PRO A 87 -6.925 -13.685 7.244 1.00 0.00 C ATOM 338 CG PRO A 87 -7.824 -14.325 6.243 1.00 0.00 C ATOM 339 CD PRO A 87 -7.777 -13.447 5.023 1.00 0.00 C ATOM 0 HA PRO A 87 -5.423 -12.116 6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.521 -14.420 7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.458 -12.943 7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.491 -15.336 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.841 -14.405 6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.882 -14.027 4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.579 -12.709 5.028 1.00 0.00 H new ATOM 347 N GLU A 88 -4.417 -14.553 5.132 1.00 0.00 N ATOM 348 CA GLU A 88 -3.304 -15.467 4.906 1.00 0.00 C ATOM 349 C GLU A 88 -2.157 -14.760 4.188 1.00 0.00 C ATOM 350 O GLU A 88 -1.066 -15.313 4.045 1.00 0.00 O ATOM 351 CB GLU A 88 -3.765 -16.675 4.088 1.00 0.00 C ATOM 352 CG GLU A 88 -3.663 -16.468 2.586 1.00 0.00 C ATOM 353 CD GLU A 88 -4.085 -17.693 1.799 1.00 0.00 C ATOM 354 OE1 GLU A 88 -3.615 -18.802 2.128 1.00 0.00 O ATOM 355 OE2 GLU A 88 -4.887 -17.542 0.853 1.00 0.00 O ATOM 0 H GLU A 88 -5.015 -14.408 4.319 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.946 -15.810 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.167 -17.542 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.799 -16.904 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.286 -15.622 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.636 -16.210 2.327 1.00 0.00 H new ATOM 362 N ILE A 89 -2.413 -13.536 3.738 1.00 0.00 N ATOM 363 CA ILE A 89 -1.403 -12.755 3.036 1.00 0.00 C ATOM 364 C ILE A 89 -0.363 -12.203 4.005 1.00 0.00 C ATOM 365 O ILE A 89 -0.692 -11.786 5.116 1.00 0.00 O ATOM 366 CB ILE A 89 -2.036 -11.585 2.260 1.00 0.00 C ATOM 367 CG1 ILE A 89 -2.971 -12.113 1.171 1.00 0.00 C ATOM 368 CG2 ILE A 89 -0.953 -10.703 1.655 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.258 -12.894 0.089 1.00 0.00 C ATOM 0 H ILE A 89 -3.311 -13.064 3.847 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.917 -13.429 2.330 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.622 -10.983 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.727 -12.750 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.496 -11.273 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.416 -9.881 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.324 -10.303 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.343 -11.293 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.983 -13.238 -0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.521 -12.254 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.756 -13.754 0.532 1.00 0.00 H new ATOM 381 N THR A 90 0.896 -12.203 3.577 1.00 0.00 N ATOM 382 CA THR A 90 1.985 -11.702 4.406 1.00 0.00 C ATOM 383 C THR A 90 2.691 -10.528 3.736 1.00 0.00 C ATOM 384 O THR A 90 2.410 -10.197 2.584 1.00 0.00 O ATOM 385 CB THR A 90 3.018 -12.806 4.703 1.00 0.00 C ATOM 386 OG1 THR A 90 3.966 -12.342 5.670 1.00 0.00 O ATOM 387 CG2 THR A 90 3.744 -13.223 3.433 1.00 0.00 C ATOM 0 H THR A 90 1.186 -12.545 2.661 1.00 0.00 H new ATOM 0 HA THR A 90 1.541 -11.368 5.344 1.00 0.00 H new ATOM 0 HB THR A 90 2.488 -13.672 5.101 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.618 -13.050 5.855 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.468 -14.003 3.667 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.023 -13.603 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.262 -12.362 3.011 1.00 0.00 H new ATOM 395 N THR A 91 3.609 -9.902 4.465 1.00 0.00 N ATOM 396 CA THR A 91 4.355 -8.764 3.942 1.00 0.00 C ATOM 397 C THR A 91 4.951 -9.080 2.575 1.00 0.00 C ATOM 398 O THR A 91 4.837 -8.287 1.641 1.00 0.00 O ATOM 399 CB THR A 91 5.487 -8.347 4.899 1.00 0.00 C ATOM 400 OG1 THR A 91 4.945 -8.002 6.179 1.00 0.00 O ATOM 401 CG2 THR A 91 6.262 -7.165 4.337 1.00 0.00 C ATOM 0 H THR A 91 3.854 -10.164 5.420 1.00 0.00 H new ATOM 0 HA THR A 91 3.649 -7.939 3.846 1.00 0.00 H new ATOM 0 HB THR A 91 6.169 -9.190 5.009 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.672 -7.740 6.782 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.056 -6.888 5.030 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.698 -7.439 3.376 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.588 -6.319 4.201 1.00 0.00 H new ATOM 409 N GLU A 92 5.586 -10.242 2.465 1.00 0.00 N ATOM 410 CA GLU A 92 6.200 -10.661 1.211 1.00 0.00 C ATOM 411 C GLU A 92 5.185 -10.632 0.072 1.00 0.00 C ATOM 412 O GLU A 92 5.422 -10.021 -0.970 1.00 0.00 O ATOM 413 CB GLU A 92 6.788 -12.067 1.349 1.00 0.00 C ATOM 414 CG GLU A 92 7.800 -12.195 2.475 1.00 0.00 C ATOM 415 CD GLU A 92 8.574 -13.497 2.418 1.00 0.00 C ATOM 416 OE1 GLU A 92 8.096 -14.499 2.991 1.00 0.00 O ATOM 417 OE2 GLU A 92 9.659 -13.515 1.800 1.00 0.00 O ATOM 0 H GLU A 92 5.689 -10.910 3.229 1.00 0.00 H new ATOM 0 HA GLU A 92 7.002 -9.961 0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.977 -12.776 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.265 -12.346 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.498 -11.359 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.284 -12.125 3.432 1.00 0.00 H new ATOM 424 N ASP A 93 4.054 -11.298 0.278 1.00 0.00 N ATOM 425 CA ASP A 93 3.002 -11.350 -0.730 1.00 0.00 C ATOM 426 C ASP A 93 2.792 -9.979 -1.366 1.00 0.00 C ATOM 427 O ASP A 93 2.871 -9.832 -2.586 1.00 0.00 O ATOM 428 CB ASP A 93 1.694 -11.842 -0.108 1.00 0.00 C ATOM 429 CG ASP A 93 1.552 -13.350 -0.177 1.00 0.00 C ATOM 430 OD1 ASP A 93 1.209 -13.864 -1.262 1.00 0.00 O ATOM 431 OD2 ASP A 93 1.784 -14.016 0.854 1.00 0.00 O ATOM 0 H ASP A 93 3.842 -11.810 1.135 1.00 0.00 H new ATOM 0 HA ASP A 93 3.311 -12.049 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.647 -11.523 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.853 -11.377 -0.622 1.00 0.00 H new ATOM 436 N ILE A 94 2.523 -8.980 -0.533 1.00 0.00 N ATOM 437 CA ILE A 94 2.302 -7.622 -1.015 1.00 0.00 C ATOM 438 C ILE A 94 3.410 -7.191 -1.970 1.00 0.00 C ATOM 439 O ILE A 94 3.151 -6.849 -3.124 1.00 0.00 O ATOM 440 CB ILE A 94 2.223 -6.618 0.150 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.122 -7.025 1.131 1.00 0.00 C ATOM 442 CG2 ILE A 94 1.976 -5.213 -0.379 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.763 -5.940 2.122 1.00 0.00 C ATOM 0 H ILE A 94 2.453 -9.085 0.479 1.00 0.00 H new ATOM 0 HA ILE A 94 1.350 -7.626 -1.546 1.00 0.00 H new ATOM 0 HB ILE A 94 3.175 -6.624 0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.230 -7.302 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.443 -7.912 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.922 -4.514 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.792 -4.925 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.036 -5.192 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.024 -6.299 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.643 -5.679 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.411 -5.059 1.585 1.00 0.00 H new ATOM 455 N LYS A 95 4.645 -7.211 -1.482 1.00 0.00 N ATOM 456 CA LYS A 95 5.795 -6.825 -2.291 1.00 0.00 C ATOM 457 C LYS A 95 5.755 -7.509 -3.654 1.00 0.00 C ATOM 458 O LYS A 95 6.084 -6.903 -4.673 1.00 0.00 O ATOM 459 CB LYS A 95 7.096 -7.180 -1.569 1.00 0.00 C ATOM 460 CG LYS A 95 7.631 -6.059 -0.694 1.00 0.00 C ATOM 461 CD LYS A 95 8.770 -6.538 0.191 1.00 0.00 C ATOM 462 CE LYS A 95 8.258 -7.053 1.528 1.00 0.00 C ATOM 463 NZ LYS A 95 9.345 -7.672 2.337 1.00 0.00 N ATOM 0 H LYS A 95 4.876 -7.491 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 95 5.754 -5.746 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.930 -8.063 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.852 -7.445 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.978 -5.239 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.827 -5.666 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.320 -7.329 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.471 -5.720 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.812 -6.231 2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.470 -7.786 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.956 -8.010 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.754 -8.473 1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.085 -6.965 2.522 1.00 0.00 H new ATOM 477 N ALA A 96 5.348 -8.774 -3.664 1.00 0.00 N ATOM 478 CA ALA A 96 5.261 -9.539 -4.902 1.00 0.00 C ATOM 479 C ALA A 96 4.279 -8.897 -5.876 1.00 0.00 C ATOM 480 O ALA A 96 4.461 -8.967 -7.091 1.00 0.00 O ATOM 481 CB ALA A 96 4.854 -10.975 -4.608 1.00 0.00 C ATOM 0 H ALA A 96 5.073 -9.291 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 96 6.246 -9.541 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.793 -11.534 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.595 -11.437 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.882 -10.984 -4.116 1.00 0.00 H new ATOM 487 N ALA A 97 3.237 -8.274 -5.335 1.00 0.00 N ATOM 488 CA ALA A 97 2.227 -7.620 -6.156 1.00 0.00 C ATOM 489 C ALA A 97 2.776 -6.347 -6.791 1.00 0.00 C ATOM 490 O ALA A 97 2.680 -6.154 -8.004 1.00 0.00 O ATOM 491 CB ALA A 97 0.992 -7.306 -5.325 1.00 0.00 C ATOM 0 H ALA A 97 3.071 -8.209 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 97 1.948 -8.304 -6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.246 -6.818 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.579 -8.231 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.265 -6.644 -4.503 1.00 0.00 H new ATOM 497 N PHE A 98 3.352 -5.480 -5.965 1.00 0.00 N ATOM 498 CA PHE A 98 3.915 -4.224 -6.446 1.00 0.00 C ATOM 499 C PHE A 98 5.403 -4.375 -6.747 1.00 0.00 C ATOM 500 O PHE A 98 6.114 -3.387 -6.931 1.00 0.00 O ATOM 501 CB PHE A 98 3.703 -3.116 -5.412 1.00 0.00 C ATOM 502 CG PHE A 98 2.285 -3.012 -4.927 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.774 -3.942 -4.036 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.463 -1.985 -5.362 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.470 -3.850 -3.588 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.159 -1.887 -4.917 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.339 -2.822 -4.029 1.00 0.00 C ATOM 0 H PHE A 98 3.441 -5.624 -4.959 1.00 0.00 H new ATOM 0 HA PHE A 98 3.401 -3.954 -7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.358 -3.296 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.001 -2.162 -5.847 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.402 -4.748 -3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.846 -1.253 -6.057 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.084 -4.582 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.471 -1.081 -5.263 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.359 -2.748 -3.681 1.00 0.00 H new ATOM 517 N ALA A 99 5.867 -5.619 -6.796 1.00 0.00 N ATOM 518 CA ALA A 99 7.270 -5.901 -7.076 1.00 0.00 C ATOM 519 C ALA A 99 7.635 -5.505 -8.503 1.00 0.00 C ATOM 520 O ALA A 99 8.510 -4.671 -8.736 1.00 0.00 O ATOM 521 CB ALA A 99 7.569 -7.375 -6.843 1.00 0.00 C ATOM 0 H ALA A 99 5.292 -6.448 -6.645 1.00 0.00 H new ATOM 0 HA ALA A 99 7.878 -5.306 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.620 -7.571 -7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.355 -7.630 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.946 -7.981 -7.501 1.00 0.00 H new ATOM 527 N PRO A 100 6.952 -6.117 -9.481 1.00 0.00 N ATOM 528 CA PRO A 100 7.188 -5.844 -10.902 1.00 0.00 C ATOM 529 C PRO A 100 6.717 -4.452 -11.310 1.00 0.00 C ATOM 530 O PRO A 100 6.852 -4.056 -12.468 1.00 0.00 O ATOM 531 CB PRO A 100 6.359 -6.918 -11.612 1.00 0.00 C ATOM 532 CG PRO A 100 5.285 -7.271 -10.642 1.00 0.00 C ATOM 533 CD PRO A 100 5.896 -7.123 -9.276 1.00 0.00 C ATOM 0 HA PRO A 100 8.249 -5.870 -11.152 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.941 -6.542 -12.546 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.968 -7.787 -11.862 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.423 -6.613 -10.757 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.933 -8.290 -10.804 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.162 -6.791 -8.542 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.305 -8.067 -8.914 1.00 0.00 H new ATOM 541 N PHE A 101 6.166 -3.714 -10.353 1.00 0.00 N ATOM 542 CA PHE A 101 5.675 -2.366 -10.614 1.00 0.00 C ATOM 543 C PHE A 101 6.688 -1.321 -10.156 1.00 0.00 C ATOM 544 O PHE A 101 6.470 -0.120 -10.311 1.00 0.00 O ATOM 545 CB PHE A 101 4.337 -2.141 -9.905 1.00 0.00 C ATOM 546 CG PHE A 101 3.199 -2.906 -10.517 1.00 0.00 C ATOM 547 CD1 PHE A 101 3.040 -4.259 -10.264 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.287 -2.272 -11.346 1.00 0.00 C ATOM 549 CE1 PHE A 101 1.993 -4.964 -10.827 1.00 0.00 C ATOM 550 CE2 PHE A 101 1.238 -2.972 -11.911 1.00 0.00 C ATOM 551 CZ PHE A 101 1.091 -4.320 -11.650 1.00 0.00 C ATOM 0 H PHE A 101 6.048 -4.026 -9.389 1.00 0.00 H new ATOM 0 HA PHE A 101 5.531 -2.260 -11.689 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.437 -2.429 -8.858 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.100 -1.077 -9.922 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.742 -4.768 -9.620 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.398 -1.218 -11.553 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.881 -6.019 -10.623 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.535 -2.466 -12.555 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.272 -4.870 -12.089 1.00 0.00 H new ATOM 561 N GLY A 102 7.797 -1.788 -9.590 1.00 0.00 N ATOM 562 CA GLY A 102 8.827 -0.881 -9.118 1.00 0.00 C ATOM 563 C GLY A 102 9.471 -1.356 -7.830 1.00 0.00 C ATOM 564 O GLY A 102 8.802 -1.919 -6.965 1.00 0.00 O ATOM 0 H GLY A 102 8.000 -2.778 -9.450 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.593 -0.775 -9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.393 0.107 -8.961 1.00 0.00 H new ATOM 568 N ARG A 103 10.775 -1.130 -7.705 1.00 0.00 N ATOM 569 CA ARG A 103 11.510 -1.541 -6.515 1.00 0.00 C ATOM 570 C ARG A 103 10.848 -0.998 -5.252 1.00 0.00 C ATOM 571 O ARG A 103 10.659 0.210 -5.109 1.00 0.00 O ATOM 572 CB ARG A 103 12.959 -1.058 -6.592 1.00 0.00 C ATOM 573 CG ARG A 103 13.832 -1.894 -7.514 1.00 0.00 C ATOM 574 CD ARG A 103 15.063 -1.124 -7.965 1.00 0.00 C ATOM 575 NE ARG A 103 14.727 -0.046 -8.891 1.00 0.00 N ATOM 576 CZ ARG A 103 15.562 0.936 -9.212 1.00 0.00 C ATOM 577 NH1 ARG A 103 16.777 0.975 -8.683 1.00 0.00 N ATOM 578 NH2 ARG A 103 15.182 1.880 -10.063 1.00 0.00 N ATOM 0 H ARG A 103 11.344 -0.665 -8.413 1.00 0.00 H new ATOM 0 HA ARG A 103 11.499 -2.630 -6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.970 -0.023 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.390 -1.067 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.139 -2.804 -6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.254 -2.200 -8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.570 -0.709 -7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.763 -1.808 -8.444 1.00 0.00 H new ATOM 0 HE ARG A 103 13.799 -0.047 -9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.072 0.250 -8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.417 1.730 -8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.248 1.852 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.824 2.634 -10.309 1.00 0.00 H new ATOM 592 N ILE A 104 10.498 -1.899 -4.340 1.00 0.00 N ATOM 593 CA ILE A 104 9.859 -1.510 -3.089 1.00 0.00 C ATOM 594 C ILE A 104 10.865 -1.477 -1.944 1.00 0.00 C ATOM 595 O ILE A 104 11.704 -2.368 -1.815 1.00 0.00 O ATOM 596 CB ILE A 104 8.711 -2.469 -2.722 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.809 -2.708 -3.934 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.906 -1.911 -1.557 1.00 0.00 C ATOM 599 CD1 ILE A 104 6.872 -3.884 -3.768 1.00 0.00 C ATOM 0 H ILE A 104 10.646 -2.903 -4.444 1.00 0.00 H new ATOM 0 HA ILE A 104 9.452 -0.510 -3.240 1.00 0.00 H new ATOM 0 HB ILE A 104 9.139 -3.424 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.221 -1.809 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.432 -2.871 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.098 -2.600 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.556 -1.788 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.486 -0.944 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.263 -3.994 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.453 -4.793 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.224 -3.714 -2.908 1.00 0.00 H new ATOM 611 N SER A 105 10.773 -0.444 -1.112 1.00 0.00 N ATOM 612 CA SER A 105 11.676 -0.294 0.023 1.00 0.00 C ATOM 613 C SER A 105 10.968 -0.636 1.330 1.00 0.00 C ATOM 614 O SER A 105 11.351 -1.575 2.029 1.00 0.00 O ATOM 615 CB SER A 105 12.219 1.135 0.083 1.00 0.00 C ATOM 616 OG SER A 105 11.185 2.083 -0.119 1.00 0.00 O ATOM 0 H SER A 105 10.082 0.301 -1.203 1.00 0.00 H new ATOM 0 HA SER A 105 12.507 -0.986 -0.111 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.691 1.308 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.990 1.266 -0.676 1.00 0.00 H new ATOM 0 HG SER A 105 10.870 2.413 0.748 1.00 0.00 H new ATOM 622 N ASP A 106 9.934 0.132 1.654 1.00 0.00 N ATOM 623 CA ASP A 106 9.171 -0.090 2.877 1.00 0.00 C ATOM 624 C ASP A 106 7.871 -0.831 2.580 1.00 0.00 C ATOM 625 O ASP A 106 6.923 -0.253 2.051 1.00 0.00 O ATOM 626 CB ASP A 106 8.867 1.243 3.562 1.00 0.00 C ATOM 627 CG ASP A 106 10.121 2.039 3.864 1.00 0.00 C ATOM 628 OD1 ASP A 106 10.937 2.235 2.938 1.00 0.00 O ATOM 629 OD2 ASP A 106 10.287 2.467 5.025 1.00 0.00 O ATOM 0 H ASP A 106 9.605 0.914 1.087 1.00 0.00 H new ATOM 0 HA ASP A 106 9.774 -0.705 3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.210 1.834 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.327 1.056 4.490 1.00 0.00 H new ATOM 634 N ALA A 107 7.837 -2.115 2.922 1.00 0.00 N ATOM 635 CA ALA A 107 6.654 -2.935 2.693 1.00 0.00 C ATOM 636 C ALA A 107 6.332 -3.789 3.915 1.00 0.00 C ATOM 637 O ALA A 107 7.180 -4.537 4.402 1.00 0.00 O ATOM 638 CB ALA A 107 6.852 -3.816 1.468 1.00 0.00 C ATOM 0 H ALA A 107 8.615 -2.609 3.359 1.00 0.00 H new ATOM 0 HA ALA A 107 5.810 -2.269 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.961 -4.423 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.025 -3.189 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.712 -4.468 1.624 1.00 0.00 H new ATOM 644 N ARG A 108 5.103 -3.671 4.406 1.00 0.00 N ATOM 645 CA ARG A 108 4.671 -4.431 5.573 1.00 0.00 C ATOM 646 C ARG A 108 3.148 -4.502 5.642 1.00 0.00 C ATOM 647 O ARG A 108 2.450 -3.804 4.907 1.00 0.00 O ATOM 648 CB ARG A 108 5.221 -3.798 6.853 1.00 0.00 C ATOM 649 CG ARG A 108 4.466 -2.554 7.290 1.00 0.00 C ATOM 650 CD ARG A 108 5.046 -1.971 8.570 1.00 0.00 C ATOM 651 NE ARG A 108 6.448 -1.596 8.413 1.00 0.00 N ATOM 652 CZ ARG A 108 7.080 -0.759 9.229 1.00 0.00 C ATOM 653 NH1 ARG A 108 6.438 -0.214 10.253 1.00 0.00 N ATOM 654 NH2 ARG A 108 8.358 -0.467 9.021 1.00 0.00 N ATOM 0 H ARG A 108 4.389 -3.057 4.014 1.00 0.00 H new ATOM 0 HA ARG A 108 5.061 -5.444 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.187 -4.534 7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.269 -3.542 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.505 -1.806 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.415 -2.800 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 108 4.467 -1.096 8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 108 4.954 -2.700 9.375 1.00 0.00 H new ATOM 0 HE ARG A 108 6.971 -1.998 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.456 -0.437 10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 108 6.926 0.428 10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 108 8.855 -0.885 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.843 0.176 9.647 1.00 0.00 H new ATOM 668 N VAL A 109 2.640 -5.350 6.530 1.00 0.00 N ATOM 669 CA VAL A 109 1.201 -5.513 6.696 1.00 0.00 C ATOM 670 C VAL A 109 0.758 -5.095 8.094 1.00 0.00 C ATOM 671 O VAL A 109 1.171 -5.688 9.091 1.00 0.00 O ATOM 672 CB VAL A 109 0.768 -6.969 6.446 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.719 -7.139 6.720 1.00 0.00 C ATOM 674 CG2 VAL A 109 1.107 -7.389 5.023 1.00 0.00 C ATOM 0 H VAL A 109 3.204 -5.935 7.146 1.00 0.00 H new ATOM 0 HA VAL A 109 0.723 -4.868 5.959 1.00 0.00 H new ATOM 0 HB VAL A 109 1.316 -7.615 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.006 -8.175 6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.930 -6.881 7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.288 -6.483 6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.794 -8.421 4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.588 -6.739 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.183 -7.308 4.866 1.00 0.00 H new ATOM 684 N VAL A 110 -0.086 -4.070 8.160 1.00 0.00 N ATOM 685 CA VAL A 110 -0.587 -3.574 9.436 1.00 0.00 C ATOM 686 C VAL A 110 -1.064 -4.719 10.323 1.00 0.00 C ATOM 687 O VAL A 110 -1.666 -5.680 9.844 1.00 0.00 O ATOM 688 CB VAL A 110 -1.745 -2.578 9.235 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.227 -2.042 10.575 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.318 -1.442 8.319 1.00 0.00 C ATOM 0 H VAL A 110 -0.437 -3.567 7.345 1.00 0.00 H new ATOM 0 HA VAL A 110 0.243 -3.062 9.924 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.575 -3.103 8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.045 -1.340 10.413 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.576 -2.869 11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.406 -1.532 11.080 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.148 -0.748 8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.472 -0.916 8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.027 -1.846 7.349 1.00 0.00 H new ATOM 700 N LYS A 111 -0.790 -4.610 11.618 1.00 0.00 N ATOM 701 CA LYS A 111 -1.192 -5.635 12.574 1.00 0.00 C ATOM 702 C LYS A 111 -1.680 -5.005 13.874 1.00 0.00 C ATOM 703 O LYS A 111 -1.258 -3.908 14.240 1.00 0.00 O ATOM 704 CB LYS A 111 -0.023 -6.581 12.861 1.00 0.00 C ATOM 705 CG LYS A 111 0.153 -7.666 11.813 1.00 0.00 C ATOM 706 CD LYS A 111 1.457 -8.421 12.005 1.00 0.00 C ATOM 707 CE LYS A 111 1.733 -9.362 10.842 1.00 0.00 C ATOM 708 NZ LYS A 111 2.944 -10.196 11.079 1.00 0.00 N ATOM 0 H LYS A 111 -0.291 -3.822 12.030 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.012 -6.203 12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.896 -5.999 12.927 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.175 -7.049 13.834 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.683 -8.363 11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.133 -7.219 10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.278 -7.711 12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.415 -8.991 12.933 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.870 -10.010 10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.865 -8.782 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.098 -10.824 10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.772 -9.579 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.809 -10.769 11.936 1.00 0.00 H new ATOM 722 N ASP A 112 -2.570 -5.706 14.569 1.00 0.00 N ATOM 723 CA ASP A 112 -3.114 -5.216 15.830 1.00 0.00 C ATOM 724 C ASP A 112 -2.017 -5.092 16.883 1.00 0.00 C ATOM 725 O ASP A 112 -1.347 -6.069 17.213 1.00 0.00 O ATOM 726 CB ASP A 112 -4.216 -6.150 16.332 1.00 0.00 C ATOM 727 CG ASP A 112 -5.177 -5.456 17.278 1.00 0.00 C ATOM 728 OD1 ASP A 112 -5.375 -4.232 17.129 1.00 0.00 O ATOM 729 OD2 ASP A 112 -5.729 -6.137 18.167 1.00 0.00 O ATOM 0 H ASP A 112 -2.930 -6.616 14.280 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.538 -4.227 15.655 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.770 -6.544 15.480 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.763 -7.002 16.839 1.00 0.00 H new ATOM 734 N MET A 113 -1.840 -3.883 17.405 1.00 0.00 N ATOM 735 CA MET A 113 -0.824 -3.631 18.421 1.00 0.00 C ATOM 736 C MET A 113 -1.259 -4.187 19.774 1.00 0.00 C ATOM 737 O MET A 113 -0.524 -4.097 20.757 1.00 0.00 O ATOM 738 CB MET A 113 -0.550 -2.131 18.538 1.00 0.00 C ATOM 739 CG MET A 113 -1.616 -1.376 19.314 1.00 0.00 C ATOM 740 SD MET A 113 -3.016 -0.896 18.284 1.00 0.00 S ATOM 741 CE MET A 113 -2.270 0.379 17.271 1.00 0.00 C ATOM 0 H MET A 113 -2.386 -3.063 17.142 1.00 0.00 H new ATOM 0 HA MET A 113 0.092 -4.138 18.117 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.414 -1.983 19.024 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.471 -1.706 17.538 1.00 0.00 H new ATOM 0 HG2 MET A 113 -1.971 -1.998 20.136 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.174 -0.484 19.758 1.00 0.00 H new ATOM 0 HE1 MET A 113 -3.047 1.042 16.889 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.565 0.954 17.871 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.744 -0.082 16.435 1.00 0.00 H new ATOM 751 N ALA A 114 -2.457 -4.760 19.816 1.00 0.00 N ATOM 752 CA ALA A 114 -2.988 -5.331 21.047 1.00 0.00 C ATOM 753 C ALA A 114 -2.774 -6.840 21.089 1.00 0.00 C ATOM 754 O ALA A 114 -2.368 -7.392 22.112 1.00 0.00 O ATOM 755 CB ALA A 114 -4.467 -5.001 21.187 1.00 0.00 C ATOM 0 H ALA A 114 -3.078 -4.841 19.011 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.448 -4.891 21.885 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.850 -5.434 22.111 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.598 -3.919 21.211 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.014 -5.413 20.339 1.00 0.00 H new ATOM 761 N THR A 115 -3.050 -7.504 19.971 1.00 0.00 N ATOM 762 CA THR A 115 -2.890 -8.949 19.880 1.00 0.00 C ATOM 763 C THR A 115 -1.738 -9.318 18.953 1.00 0.00 C ATOM 764 O THR A 115 -1.028 -10.295 19.186 1.00 0.00 O ATOM 765 CB THR A 115 -4.177 -9.627 19.376 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.443 -9.231 18.025 1.00 0.00 O ATOM 767 CG2 THR A 115 -5.362 -9.264 20.258 1.00 0.00 C ATOM 0 H THR A 115 -3.386 -7.063 19.115 1.00 0.00 H new ATOM 0 HA THR A 115 -2.671 -9.306 20.886 1.00 0.00 H new ATOM 0 HB THR A 115 -4.032 -10.707 19.416 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.337 -9.536 17.765 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.259 -9.755 19.882 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.170 -9.593 21.279 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.507 -8.184 20.246 1.00 0.00 H new ATOM 775 N GLY A 116 -1.557 -8.528 17.898 1.00 0.00 N ATOM 776 CA GLY A 116 -0.489 -8.788 16.951 1.00 0.00 C ATOM 777 C GLY A 116 -0.954 -9.606 15.762 1.00 0.00 C ATOM 778 O GLY A 116 -0.184 -10.378 15.191 1.00 0.00 O ATOM 0 H GLY A 116 -2.131 -7.713 17.683 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.081 -7.840 16.599 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.320 -9.315 17.456 1.00 0.00 H new ATOM 782 N LYS A 117 -2.218 -9.438 15.389 1.00 0.00 N ATOM 783 CA LYS A 117 -2.786 -10.166 14.261 1.00 0.00 C ATOM 784 C LYS A 117 -2.812 -9.295 13.009 1.00 0.00 C ATOM 785 O LYS A 117 -2.665 -8.076 13.086 1.00 0.00 O ATOM 786 CB LYS A 117 -4.203 -10.640 14.595 1.00 0.00 C ATOM 787 CG LYS A 117 -4.295 -11.407 15.902 1.00 0.00 C ATOM 788 CD LYS A 117 -3.879 -12.858 15.728 1.00 0.00 C ATOM 789 CE LYS A 117 -3.459 -13.480 17.051 1.00 0.00 C ATOM 790 NZ LYS A 117 -2.134 -12.975 17.505 1.00 0.00 N ATOM 0 H LYS A 117 -2.869 -8.804 15.852 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.156 -11.033 14.066 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.864 -9.775 14.644 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.566 -11.273 13.785 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.659 -10.932 16.649 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.317 -11.363 16.279 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.707 -13.427 15.304 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.054 -12.918 15.018 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.210 -13.262 17.810 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -3.418 -14.564 16.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.767 -13.592 18.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -1.470 -12.973 16.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -2.238 -12.007 17.871 1.00 0.00 H new ATOM 804 N SER A 118 -3.001 -9.930 11.856 1.00 0.00 N ATOM 805 CA SER A 118 -3.044 -9.213 10.587 1.00 0.00 C ATOM 806 C SER A 118 -4.259 -8.292 10.524 1.00 0.00 C ATOM 807 O SER A 118 -5.398 -8.752 10.430 1.00 0.00 O ATOM 808 CB SER A 118 -3.078 -10.201 9.420 1.00 0.00 C ATOM 809 OG SER A 118 -3.243 -9.526 8.185 1.00 0.00 O ATOM 0 H SER A 118 -3.127 -10.939 11.775 1.00 0.00 H new ATOM 0 HA SER A 118 -2.144 -8.603 10.512 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.154 -10.779 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.894 -10.909 9.563 1.00 0.00 H new ATOM 0 HG SER A 118 -3.260 -10.179 7.455 1.00 0.00 H new ATOM 815 N LYS A 119 -4.009 -6.988 10.577 1.00 0.00 N ATOM 816 CA LYS A 119 -5.080 -6.000 10.525 1.00 0.00 C ATOM 817 C LYS A 119 -5.873 -6.126 9.229 1.00 0.00 C ATOM 818 O LYS A 119 -7.096 -5.994 9.223 1.00 0.00 O ATOM 819 CB LYS A 119 -4.505 -4.588 10.650 1.00 0.00 C ATOM 820 CG LYS A 119 -4.368 -4.111 12.085 1.00 0.00 C ATOM 821 CD LYS A 119 -5.616 -3.381 12.552 1.00 0.00 C ATOM 822 CE LYS A 119 -5.369 -2.628 13.850 1.00 0.00 C ATOM 823 NZ LYS A 119 -4.451 -1.472 13.654 1.00 0.00 N ATOM 0 H LYS A 119 -3.073 -6.591 10.656 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.754 -6.186 11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.526 -4.560 10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.146 -3.895 10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.179 -4.964 12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.506 -3.449 12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.940 -2.682 11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.426 -4.097 12.694 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.319 -2.274 14.251 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.945 -3.308 14.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.529 -0.825 14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.472 -1.815 13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.709 -0.967 12.782 1.00 0.00 H new ATOM 837 N GLY A 120 -5.168 -6.382 8.131 1.00 0.00 N ATOM 838 CA GLY A 120 -5.823 -6.521 6.844 1.00 0.00 C ATOM 839 C GLY A 120 -5.195 -5.649 5.775 1.00 0.00 C ATOM 840 O GLY A 120 -4.926 -6.110 4.666 1.00 0.00 O ATOM 0 H GLY A 120 -4.155 -6.496 8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -5.780 -7.564 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.877 -6.262 6.947 1.00 0.00 H new ATOM 844 N TYR A 121 -4.962 -4.384 6.108 1.00 0.00 N ATOM 845 CA TYR A 121 -4.366 -3.444 5.167 1.00 0.00 C ATOM 846 C TYR A 121 -2.875 -3.271 5.441 1.00 0.00 C ATOM 847 O TYR A 121 -2.431 -3.331 6.586 1.00 0.00 O ATOM 848 CB TYR A 121 -5.071 -2.089 5.252 1.00 0.00 C ATOM 849 CG TYR A 121 -5.128 -1.522 6.653 1.00 0.00 C ATOM 850 CD1 TYR A 121 -6.010 -2.035 7.595 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.298 -0.474 7.033 1.00 0.00 C ATOM 852 CE1 TYR A 121 -6.066 -1.520 8.876 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.346 0.046 8.312 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.232 -0.479 9.229 1.00 0.00 C ATOM 855 OH TYR A 121 -5.284 0.036 10.504 1.00 0.00 O ATOM 0 H TYR A 121 -5.177 -3.986 7.022 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.489 -3.848 4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.557 -1.380 4.603 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -6.086 -2.193 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.663 -2.850 7.322 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.604 -0.059 6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.758 -1.930 9.597 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.693 0.859 8.592 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.632 0.763 10.590 1.00 0.00 H new ATOM 865 N GLY A 122 -2.106 -3.056 4.377 1.00 0.00 N ATOM 866 CA GLY A 122 -0.673 -2.878 4.522 1.00 0.00 C ATOM 867 C GLY A 122 -0.174 -1.619 3.841 1.00 0.00 C ATOM 868 O GLY A 122 -0.948 -0.893 3.217 1.00 0.00 O ATOM 0 H GLY A 122 -2.450 -3.002 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.420 -2.839 5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.158 -3.743 4.103 1.00 0.00 H new ATOM 872 N PHE A 123 1.124 -1.358 3.960 1.00 0.00 N ATOM 873 CA PHE A 123 1.726 -0.177 3.353 1.00 0.00 C ATOM 874 C PHE A 123 2.839 -0.569 2.387 1.00 0.00 C ATOM 875 O PHE A 123 3.618 -1.484 2.657 1.00 0.00 O ATOM 876 CB PHE A 123 2.278 0.754 4.435 1.00 0.00 C ATOM 877 CG PHE A 123 1.211 1.410 5.263 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.207 2.152 4.662 1.00 0.00 C ATOM 879 CD2 PHE A 123 1.212 1.285 6.643 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.777 2.757 5.421 1.00 0.00 C ATOM 881 CE2 PHE A 123 0.230 1.887 7.407 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.765 2.625 6.796 1.00 0.00 C ATOM 0 H PHE A 123 1.779 -1.949 4.472 1.00 0.00 H new ATOM 0 HA PHE A 123 0.952 0.347 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 123 2.937 0.185 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 123 2.886 1.526 3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.193 2.259 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.988 0.711 7.127 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.554 3.332 4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 123 0.241 1.780 8.482 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.532 3.098 7.392 1.00 0.00 H new ATOM 892 N VAL A 124 2.909 0.129 1.258 1.00 0.00 N ATOM 893 CA VAL A 124 3.927 -0.145 0.251 1.00 0.00 C ATOM 894 C VAL A 124 4.526 1.148 -0.290 1.00 0.00 C ATOM 895 O VAL A 124 3.844 1.932 -0.949 1.00 0.00 O ATOM 896 CB VAL A 124 3.351 -0.961 -0.922 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.443 -1.301 -1.924 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.674 -2.224 -0.410 1.00 0.00 C ATOM 0 H VAL A 124 2.272 0.889 1.018 1.00 0.00 H new ATOM 0 HA VAL A 124 4.708 -0.727 0.740 1.00 0.00 H new ATOM 0 HB VAL A 124 2.602 -0.354 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.017 -1.877 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.878 -0.381 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.218 -1.889 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.273 -2.788 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.401 -2.836 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.862 -1.954 0.265 1.00 0.00 H new ATOM 908 N SER A 125 5.807 1.363 -0.008 1.00 0.00 N ATOM 909 CA SER A 125 6.499 2.563 -0.464 1.00 0.00 C ATOM 910 C SER A 125 7.375 2.258 -1.675 1.00 0.00 C ATOM 911 O SER A 125 7.872 1.142 -1.832 1.00 0.00 O ATOM 912 CB SER A 125 7.354 3.144 0.664 1.00 0.00 C ATOM 913 OG SER A 125 6.548 3.553 1.756 1.00 0.00 O ATOM 0 H SER A 125 6.387 0.722 0.534 1.00 0.00 H new ATOM 0 HA SER A 125 5.748 3.297 -0.756 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.075 2.398 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 125 7.925 3.994 0.291 1.00 0.00 H new ATOM 0 HG SER A 125 6.508 4.532 1.784 1.00 0.00 H new ATOM 919 N PHE A 126 7.561 3.258 -2.530 1.00 0.00 N ATOM 920 CA PHE A 126 8.375 3.098 -3.729 1.00 0.00 C ATOM 921 C PHE A 126 9.386 4.235 -3.855 1.00 0.00 C ATOM 922 O PHE A 126 9.092 5.382 -3.518 1.00 0.00 O ATOM 923 CB PHE A 126 7.486 3.051 -4.973 1.00 0.00 C ATOM 924 CG PHE A 126 6.391 2.026 -4.889 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.408 2.123 -3.917 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.345 0.967 -5.780 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.399 1.181 -3.837 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.339 0.022 -5.705 1.00 0.00 C ATOM 929 CZ PHE A 126 4.364 0.130 -4.733 1.00 0.00 C ATOM 0 H PHE A 126 7.159 4.188 -2.415 1.00 0.00 H new ATOM 0 HA PHE A 126 8.920 2.158 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.041 4.034 -5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.105 2.839 -5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.430 2.943 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.104 0.878 -6.543 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.639 1.267 -3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.316 -0.800 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.576 -0.606 -4.673 1.00 0.00 H new ATOM 939 N PHE A 127 10.578 3.907 -4.343 1.00 0.00 N ATOM 940 CA PHE A 127 11.633 4.899 -4.512 1.00 0.00 C ATOM 941 C PHE A 127 11.115 6.122 -5.262 1.00 0.00 C ATOM 942 O PHE A 127 11.322 7.258 -4.838 1.00 0.00 O ATOM 943 CB PHE A 127 12.818 4.290 -5.265 1.00 0.00 C ATOM 944 CG PHE A 127 13.496 3.177 -4.517 1.00 0.00 C ATOM 945 CD1 PHE A 127 13.713 3.274 -3.152 1.00 0.00 C ATOM 946 CD2 PHE A 127 13.915 2.035 -5.179 1.00 0.00 C ATOM 947 CE1 PHE A 127 14.336 2.252 -2.461 1.00 0.00 C ATOM 948 CE2 PHE A 127 14.539 1.009 -4.493 1.00 0.00 C ATOM 949 CZ PHE A 127 14.749 1.118 -3.133 1.00 0.00 C ATOM 0 H PHE A 127 10.837 2.963 -4.628 1.00 0.00 H new ATOM 0 HA PHE A 127 11.963 5.214 -3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.471 3.912 -6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.547 5.073 -5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.392 4.158 -2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.753 1.945 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.500 2.340 -1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.862 0.124 -5.021 1.00 0.00 H new ATOM 0 HZ PHE A 127 15.236 0.318 -2.595 1.00 0.00 H new ATOM 959 N ASN A 128 10.439 5.880 -6.381 1.00 0.00 N ATOM 960 CA ASN A 128 9.891 6.962 -7.192 1.00 0.00 C ATOM 961 C ASN A 128 8.374 7.035 -7.048 1.00 0.00 C ATOM 962 O ASN A 128 7.757 6.174 -6.421 1.00 0.00 O ATOM 963 CB ASN A 128 10.266 6.765 -8.663 1.00 0.00 C ATOM 964 CG ASN A 128 11.756 6.558 -8.857 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.545 6.738 -7.929 1.00 0.00 O ATOM 966 ND2 ASN A 128 12.147 6.178 -10.067 1.00 0.00 N ATOM 0 H ASN A 128 10.258 4.945 -6.747 1.00 0.00 H new ATOM 0 HA ASN A 128 10.318 7.900 -6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.728 5.905 -9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 128 9.945 7.634 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 128 13.137 6.023 -10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 128 11.458 6.041 -10.806 1.00 0.00 H new ATOM 973 N LYS A 129 7.779 8.069 -7.633 1.00 0.00 N ATOM 974 CA LYS A 129 6.334 8.255 -7.573 1.00 0.00 C ATOM 975 C LYS A 129 5.627 7.357 -8.582 1.00 0.00 C ATOM 976 O LYS A 129 4.705 6.620 -8.232 1.00 0.00 O ATOM 977 CB LYS A 129 5.977 9.719 -7.839 1.00 0.00 C ATOM 978 CG LYS A 129 4.506 9.939 -8.150 1.00 0.00 C ATOM 979 CD LYS A 129 4.094 11.381 -7.902 1.00 0.00 C ATOM 980 CE LYS A 129 3.621 11.587 -6.471 1.00 0.00 C ATOM 981 NZ LYS A 129 3.870 12.977 -6.000 1.00 0.00 N ATOM 0 H LYS A 129 8.276 8.791 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 129 5.999 7.981 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.249 10.315 -6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.575 10.084 -8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.310 9.677 -9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 129 3.899 9.275 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.937 12.042 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.297 11.657 -8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.556 11.367 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 129 4.133 10.884 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.534 13.077 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.889 13.179 -6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.361 13.647 -6.611 1.00 0.00 H new ATOM 995 N TRP A 130 6.066 7.421 -9.834 1.00 0.00 N ATOM 996 CA TRP A 130 5.475 6.612 -10.894 1.00 0.00 C ATOM 997 C TRP A 130 5.341 5.157 -10.457 1.00 0.00 C ATOM 998 O TRP A 130 4.242 4.602 -10.443 1.00 0.00 O ATOM 999 CB TRP A 130 6.322 6.700 -12.164 1.00 0.00 C ATOM 1000 CG TRP A 130 7.207 7.909 -12.205 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.572 7.925 -12.265 1.00 0.00 C ATOM 1002 CD2 TRP A 130 6.789 9.278 -12.186 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.026 9.221 -12.285 1.00 0.00 N ATOM 1004 CE2 TRP A 130 7.953 10.070 -12.239 1.00 0.00 C ATOM 1005 CE3 TRP A 130 5.545 9.912 -12.133 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 7.906 11.462 -12.238 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 5.500 11.294 -12.132 1.00 0.00 C ATOM 1008 CH2 TRP A 130 6.675 12.056 -12.185 1.00 0.00 C ATOM 0 H TRP A 130 6.829 8.025 -10.140 1.00 0.00 H new ATOM 0 HA TRP A 130 4.479 7.003 -11.103 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.938 5.805 -12.244 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.663 6.712 -13.032 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.201 7.048 -12.293 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.005 9.505 -12.327 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.634 9.333 -12.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 8.810 12.052 -12.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 4.544 11.794 -12.090 1.00 0.00 H new ATOM 0 HH2 TRP A 130 6.607 13.134 -12.184 1.00 0.00 H new ATOM 1019 N ASP A 131 6.465 4.545 -10.102 1.00 0.00 N ATOM 1020 CA ASP A 131 6.473 3.154 -9.663 1.00 0.00 C ATOM 1021 C ASP A 131 5.216 2.830 -8.862 1.00 0.00 C ATOM 1022 O ASP A 131 4.610 1.774 -9.039 1.00 0.00 O ATOM 1023 CB ASP A 131 7.717 2.869 -8.821 1.00 0.00 C ATOM 1024 CG ASP A 131 8.967 2.722 -9.667 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.837 2.412 -10.870 1.00 0.00 O ATOM 1026 OD2 ASP A 131 10.075 2.917 -9.126 1.00 0.00 O ATOM 0 H ASP A 131 7.383 4.990 -10.109 1.00 0.00 H new ATOM 0 HA ASP A 131 6.491 2.520 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.860 3.677 -8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.562 1.956 -8.246 1.00 0.00 H new ATOM 1031 N ALA A 132 4.831 3.746 -7.979 1.00 0.00 N ATOM 1032 CA ALA A 132 3.646 3.559 -7.151 1.00 0.00 C ATOM 1033 C ALA A 132 2.374 3.856 -7.937 1.00 0.00 C ATOM 1034 O ALA A 132 1.522 2.986 -8.108 1.00 0.00 O ATOM 1035 CB ALA A 132 3.723 4.440 -5.913 1.00 0.00 C ATOM 0 H ALA A 132 5.323 4.625 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 132 3.612 2.515 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.832 4.290 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.607 4.176 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.785 5.486 -6.214 1.00 0.00 H new ATOM 1041 N GLU A 133 2.253 5.092 -8.412 1.00 0.00 N ATOM 1042 CA GLU A 133 1.083 5.504 -9.179 1.00 0.00 C ATOM 1043 C GLU A 133 0.610 4.379 -10.096 1.00 0.00 C ATOM 1044 O GLU A 133 -0.547 3.966 -10.042 1.00 0.00 O ATOM 1045 CB GLU A 133 1.401 6.751 -10.006 1.00 0.00 C ATOM 1046 CG GLU A 133 1.297 8.047 -9.218 1.00 0.00 C ATOM 1047 CD GLU A 133 1.081 9.255 -10.108 1.00 0.00 C ATOM 1048 OE1 GLU A 133 1.769 9.360 -11.144 1.00 0.00 O ATOM 1049 OE2 GLU A 133 0.222 10.096 -9.768 1.00 0.00 O ATOM 0 H GLU A 133 2.950 5.825 -8.279 1.00 0.00 H new ATOM 0 HA GLU A 133 0.283 5.737 -8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.409 6.661 -10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.720 6.797 -10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.473 7.971 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.207 8.188 -8.635 1.00 0.00 H new ATOM 1056 N ASN A 134 1.515 3.890 -10.937 1.00 0.00 N ATOM 1057 CA ASN A 134 1.191 2.814 -11.867 1.00 0.00 C ATOM 1058 C ASN A 134 0.363 1.733 -11.181 1.00 0.00 C ATOM 1059 O ASN A 134 -0.729 1.391 -11.634 1.00 0.00 O ATOM 1060 CB ASN A 134 2.472 2.205 -12.440 1.00 0.00 C ATOM 1061 CG ASN A 134 2.225 1.447 -13.731 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.082 1.291 -14.163 1.00 0.00 O ATOM 1063 ND2 ASN A 134 3.297 0.971 -14.352 1.00 0.00 N ATOM 0 H ASN A 134 2.478 4.221 -10.994 1.00 0.00 H new ATOM 0 HA ASN A 134 0.601 3.236 -12.681 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.199 2.997 -12.620 1.00 0.00 H new ATOM 0 HB3 ASN A 134 2.911 1.531 -11.704 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.193 0.452 -15.224 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.225 1.124 -13.957 1.00 0.00 H new ATOM 1070 N ALA A 135 0.890 1.198 -10.084 1.00 0.00 N ATOM 1071 CA ALA A 135 0.199 0.157 -9.333 1.00 0.00 C ATOM 1072 C ALA A 135 -1.161 0.644 -8.845 1.00 0.00 C ATOM 1073 O ALA A 135 -2.187 0.017 -9.109 1.00 0.00 O ATOM 1074 CB ALA A 135 1.051 -0.300 -8.159 1.00 0.00 C ATOM 0 H ALA A 135 1.794 1.469 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 135 0.035 -0.690 -9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.523 -1.077 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.997 -0.696 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.245 0.546 -7.499 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.162 1.765 -8.131 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.396 2.335 -7.606 1.00 0.00 C ATOM 1082 C ILE A 136 -3.538 2.191 -8.607 1.00 0.00 C ATOM 1083 O ILE A 136 -4.684 1.959 -8.225 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.223 3.825 -7.254 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -1.196 3.989 -6.131 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.558 4.432 -6.851 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.738 5.418 -5.936 1.00 0.00 C ATOM 0 H ILE A 136 -0.322 2.296 -7.903 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.638 1.781 -6.699 1.00 0.00 H new ATOM 0 HB ILE A 136 -1.858 4.352 -8.135 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.627 3.624 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.329 3.364 -6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.420 5.485 -6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.263 4.342 -7.677 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -3.950 3.905 -5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -0.011 5.460 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.277 5.781 -6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.595 6.044 -5.688 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.214 2.328 -9.889 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.213 2.211 -10.945 1.00 0.00 C ATOM 1101 C GLN A 137 -4.368 0.761 -11.389 1.00 0.00 C ATOM 1102 O GLN A 137 -5.448 0.181 -11.280 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.827 3.085 -12.139 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.373 4.482 -11.750 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.503 5.130 -12.808 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -2.743 6.267 -13.216 1.00 0.00 O ATOM 1107 NE2 GLN A 137 -1.484 4.408 -13.261 1.00 0.00 N ATOM 0 H GLN A 137 -2.269 2.520 -10.221 1.00 0.00 H new ATOM 0 HA GLN A 137 -5.168 2.553 -10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -3.028 2.594 -12.694 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.681 3.164 -12.812 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -4.248 5.107 -11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.820 4.432 -10.812 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -1.321 3.470 -12.895 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -0.864 4.792 -13.974 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.282 0.181 -11.891 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.299 -1.201 -12.354 1.00 0.00 C ATOM 1118 C GLN A 138 -3.644 -2.153 -11.213 1.00 0.00 C ATOM 1119 O GLN A 138 -4.631 -2.884 -11.279 1.00 0.00 O ATOM 1120 CB GLN A 138 -1.943 -1.577 -12.954 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.491 -0.645 -14.066 1.00 0.00 C ATOM 1122 CD GLN A 138 -1.956 -1.101 -15.435 1.00 0.00 C ATOM 1123 OE1 GLN A 138 -2.900 -1.882 -15.555 1.00 0.00 O ATOM 1124 NE2 GLN A 138 -1.294 -0.613 -16.478 1.00 0.00 N ATOM 0 H GLN A 138 -2.380 0.647 -11.987 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.066 -1.290 -13.123 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.193 -1.577 -12.163 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -1.996 -2.594 -13.343 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -1.873 0.357 -13.872 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -0.403 -0.579 -14.060 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -0.517 0.032 -16.333 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -1.562 -0.883 -17.424 1.00 0.00 H new ATOM 1133 N MET A 139 -2.823 -2.137 -10.168 1.00 0.00 N ATOM 1134 CA MET A 139 -3.043 -2.999 -9.011 1.00 0.00 C ATOM 1135 C MET A 139 -4.401 -2.719 -8.375 1.00 0.00 C ATOM 1136 O MET A 139 -5.066 -3.629 -7.884 1.00 0.00 O ATOM 1137 CB MET A 139 -1.932 -2.797 -7.980 1.00 0.00 C ATOM 1138 CG MET A 139 -0.601 -3.406 -8.393 1.00 0.00 C ATOM 1139 SD MET A 139 -0.731 -5.162 -8.778 1.00 0.00 S ATOM 1140 CE MET A 139 -1.328 -5.808 -7.218 1.00 0.00 C ATOM 0 H MET A 139 -2.000 -1.538 -10.098 1.00 0.00 H new ATOM 0 HA MET A 139 -3.028 -4.034 -9.352 1.00 0.00 H new ATOM 0 HB2 MET A 139 -1.796 -1.729 -7.809 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.244 -3.235 -7.032 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.217 -2.874 -9.264 1.00 0.00 H new ATOM 0 HG3 MET A 139 0.123 -3.267 -7.590 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.003 -6.842 -7.104 1.00 0.00 H new ATOM 0 HE2 MET A 139 -0.928 -5.210 -6.399 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.417 -5.766 -7.200 1.00 0.00 H new ATOM 1150 N GLY A 140 -4.806 -1.452 -8.388 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.082 -1.075 -7.808 1.00 0.00 C ATOM 1152 C GLY A 140 -7.233 -1.893 -8.359 1.00 0.00 C ATOM 1153 O GLY A 140 -7.596 -1.759 -9.527 1.00 0.00 O ATOM 0 H GLY A 140 -4.273 -0.681 -8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.037 -1.200 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.267 -0.018 -8.000 1.00 0.00 H new ATOM 1157 N GLY A 141 -7.808 -2.746 -7.516 1.00 0.00 N ATOM 1158 CA GLY A 141 -8.917 -3.578 -7.944 1.00 0.00 C ATOM 1159 C GLY A 141 -8.494 -5.005 -8.233 1.00 0.00 C ATOM 1160 O GLY A 141 -9.287 -5.934 -8.091 1.00 0.00 O ATOM 0 H GLY A 141 -7.525 -2.875 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.685 -3.580 -7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.366 -3.147 -8.839 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.241 -5.177 -8.642 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.716 -6.501 -8.955 1.00 0.00 C ATOM 1166 C GLN A 142 -6.995 -7.480 -7.818 1.00 0.00 C ATOM 1167 O GLN A 142 -7.574 -7.110 -6.797 1.00 0.00 O ATOM 1168 CB GLN A 142 -5.211 -6.426 -9.221 1.00 0.00 C ATOM 1169 CG GLN A 142 -4.860 -5.763 -10.543 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.074 -6.680 -11.731 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -6.198 -7.091 -12.019 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -3.993 -7.006 -12.430 1.00 0.00 N ATOM 0 H GLN A 142 -6.571 -4.417 -8.764 1.00 0.00 H new ATOM 0 HA GLN A 142 -7.219 -6.861 -9.852 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.734 -5.876 -8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.797 -7.434 -9.208 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.467 -4.866 -10.667 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -3.818 -5.443 -10.519 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -3.080 -6.643 -12.156 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -4.076 -7.620 -13.241 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.580 -8.727 -8.004 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.785 -9.759 -6.994 1.00 0.00 C ATOM 1183 C TRP A 143 -5.453 -10.254 -6.442 1.00 0.00 C ATOM 1184 O TRP A 143 -4.618 -10.776 -7.183 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.574 -10.929 -7.584 1.00 0.00 C ATOM 1186 CG TRP A 143 -9.041 -10.652 -7.714 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.622 -9.608 -8.377 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -10.112 -11.427 -7.166 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -10.989 -9.689 -8.274 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.316 -10.796 -7.537 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -10.172 -12.595 -6.400 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.562 -11.294 -7.166 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.410 -13.087 -6.033 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.591 -12.439 -6.416 1.00 0.00 C ATOM 0 H TRP A 143 -6.100 -9.049 -8.844 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.355 -9.322 -6.174 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -7.169 -11.172 -8.566 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.432 -11.808 -6.955 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -9.085 -8.833 -8.904 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.654 -9.031 -8.681 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -9.267 -13.103 -6.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.474 -10.795 -7.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -11.468 -13.988 -5.440 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.543 -12.850 -6.114 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.259 -10.089 -5.138 1.00 0.00 N ATOM 1206 CA LEU A 144 -4.027 -10.520 -4.487 1.00 0.00 C ATOM 1207 C LEU A 144 -4.278 -11.730 -3.593 1.00 0.00 C ATOM 1208 O LEU A 144 -5.189 -11.725 -2.766 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.436 -9.376 -3.662 1.00 0.00 C ATOM 1210 CG LEU A 144 -2.135 -9.686 -2.920 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -1.017 -9.985 -3.906 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.752 -8.528 -2.010 1.00 0.00 C ATOM 0 H LEU A 144 -5.939 -9.660 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.316 -10.806 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.260 -8.530 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.181 -9.059 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.292 -10.570 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.099 -10.203 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.290 -10.846 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.859 -9.120 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.824 -8.766 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.613 -7.627 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.544 -8.361 -1.280 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.462 -12.766 -3.765 1.00 0.00 N ATOM 1225 CA GLY A 145 -3.611 -13.968 -2.965 1.00 0.00 C ATOM 1226 C GLY A 145 -4.860 -14.750 -3.321 1.00 0.00 C ATOM 1227 O GLY A 145 -4.792 -15.755 -4.027 1.00 0.00 O ATOM 0 H GLY A 145 -2.701 -12.794 -4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.736 -14.604 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.644 -13.697 -1.910 1.00 0.00 H new ATOM 1231 N GLY A 146 -6.006 -14.289 -2.828 1.00 0.00 N ATOM 1232 CA GLY A 146 -7.259 -14.965 -3.107 1.00 0.00 C ATOM 1233 C GLY A 146 -8.456 -14.043 -2.984 1.00 0.00 C ATOM 1234 O GLY A 146 -9.597 -14.500 -2.931 1.00 0.00 O ATOM 0 H GLY A 146 -6.088 -13.459 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.227 -15.381 -4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.377 -15.802 -2.419 1.00 0.00 H new ATOM 1238 N ARG A 147 -8.195 -12.741 -2.937 1.00 0.00 N ATOM 1239 CA ARG A 147 -9.260 -11.752 -2.817 1.00 0.00 C ATOM 1240 C ARG A 147 -8.832 -10.416 -3.418 1.00 0.00 C ATOM 1241 O ARG A 147 -7.642 -10.110 -3.488 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.644 -11.563 -1.348 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.740 -12.507 -0.879 1.00 0.00 C ATOM 1244 CD ARG A 147 -10.886 -12.481 0.634 1.00 0.00 C ATOM 1245 NE ARG A 147 -11.867 -13.455 1.106 1.00 0.00 N ATOM 1246 CZ ARG A 147 -12.286 -13.526 2.364 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -11.814 -12.684 3.272 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -13.181 -14.440 2.716 1.00 0.00 N ATOM 0 H ARG A 147 -7.256 -12.346 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 147 -10.126 -12.118 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.760 -11.710 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.972 -10.535 -1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.686 -12.227 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.513 -13.522 -1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -9.920 -12.687 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -11.185 -11.482 0.952 1.00 0.00 H new ATOM 0 HE ARG A 147 -12.251 -14.117 0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -11.127 -11.979 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -12.138 -12.741 4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -13.548 -15.089 2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -13.502 -14.494 3.683 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.810 -9.628 -3.850 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.535 -8.326 -4.446 1.00 0.00 C ATOM 1264 C GLN A 148 -8.716 -7.456 -3.499 1.00 0.00 C ATOM 1265 O GLN A 148 -8.562 -7.779 -2.321 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.842 -7.618 -4.806 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.329 -7.918 -6.214 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.228 -6.829 -6.765 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.245 -6.483 -6.162 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -11.858 -6.280 -7.916 1.00 0.00 N ATOM 0 H GLN A 148 -10.800 -9.868 -3.799 1.00 0.00 H new ATOM 0 HA GLN A 148 -8.956 -8.487 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.613 -7.912 -4.094 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.704 -6.542 -4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.470 -8.042 -6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.870 -8.864 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -11.008 -6.597 -8.382 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -12.424 -5.542 -8.334 1.00 0.00 H new ATOM 1279 N ILE A 149 -8.192 -6.352 -4.021 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.390 -5.435 -3.221 1.00 0.00 C ATOM 1281 C ILE A 149 -7.692 -3.984 -3.579 1.00 0.00 C ATOM 1282 O ILE A 149 -8.005 -3.669 -4.727 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.883 -5.695 -3.408 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.486 -5.491 -4.872 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.527 -7.101 -2.948 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.997 -5.326 -5.077 1.00 0.00 C ATOM 0 H ILE A 149 -8.309 -6.071 -4.995 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.655 -5.612 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.328 -4.983 -2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.833 -6.343 -5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -5.998 -4.610 -5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.459 -7.270 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.778 -7.213 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -6.088 -7.829 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.789 -5.186 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.647 -4.456 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.480 -6.217 -4.721 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.594 -3.103 -2.588 1.00 0.00 N ATOM 1299 CA ARG A 150 -7.857 -1.684 -2.798 1.00 0.00 C ATOM 1300 C ARG A 150 -6.574 -0.869 -2.662 1.00 0.00 C ATOM 1301 O ARG A 150 -5.928 -0.877 -1.614 1.00 0.00 O ATOM 1302 CB ARG A 150 -8.901 -1.184 -1.799 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.540 -1.463 -0.349 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.686 -1.116 0.587 1.00 0.00 C ATOM 1305 NE ARG A 150 -9.706 -1.973 1.770 1.00 0.00 N ATOM 1306 CZ ARG A 150 -10.593 -1.851 2.751 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -11.528 -0.912 2.692 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -10.546 -2.669 3.795 1.00 0.00 N ATOM 0 H ARG A 150 -7.334 -3.347 -1.632 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.243 -1.556 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -9.033 -0.110 -1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -9.859 -1.653 -2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -8.280 -2.515 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -7.657 -0.885 -0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -9.599 -0.074 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -10.632 -1.213 0.054 1.00 0.00 H new ATOM 0 HE ARG A 150 -9.000 -2.705 1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -11.567 -0.281 1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -12.208 -0.821 3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -9.828 -3.392 3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -11.228 -2.575 4.548 1.00 0.00 H new ATOM 1322 N THR A 151 -6.211 -0.164 -3.730 1.00 0.00 N ATOM 1323 CA THR A 151 -5.006 0.655 -3.731 1.00 0.00 C ATOM 1324 C THR A 151 -5.351 2.140 -3.768 1.00 0.00 C ATOM 1325 O THR A 151 -6.185 2.573 -4.561 1.00 0.00 O ATOM 1326 CB THR A 151 -4.100 0.320 -4.931 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.797 0.570 -6.156 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.653 -1.133 -4.882 1.00 0.00 C ATOM 0 H THR A 151 -6.735 -0.144 -4.605 1.00 0.00 H new ATOM 0 HA THR A 151 -4.471 0.432 -2.808 1.00 0.00 H new ATOM 0 HB THR A 151 -3.217 0.957 -4.881 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.692 1.512 -6.405 1.00 0.00 H new ATOM 0 HG21 THR A 151 -3.014 -1.346 -5.739 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.097 -1.312 -3.962 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.527 -1.784 -4.910 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.702 2.915 -2.905 1.00 0.00 N ATOM 1337 CA ASN A 152 -4.941 4.352 -2.839 1.00 0.00 C ATOM 1338 C ASN A 152 -3.726 5.080 -2.272 1.00 0.00 C ATOM 1339 O ASN A 152 -2.831 4.460 -1.698 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.173 4.647 -1.981 1.00 0.00 C ATOM 1341 CG ASN A 152 -6.565 6.112 -2.017 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -6.580 6.788 -0.989 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -6.887 6.608 -3.206 1.00 0.00 N ATOM 0 H ASN A 152 -4.007 2.572 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 152 -5.118 4.712 -3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -7.009 4.041 -2.330 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -5.974 4.352 -0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -7.161 7.587 -3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -6.860 6.010 -4.032 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.702 6.398 -2.437 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.598 7.210 -1.941 1.00 0.00 C ATOM 1352 C TRP A 153 -2.489 7.113 -0.424 1.00 0.00 C ATOM 1353 O TRP A 153 -3.263 7.733 0.304 1.00 0.00 O ATOM 1354 CB TRP A 153 -2.783 8.670 -2.359 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.202 8.981 -3.705 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -2.853 9.533 -4.772 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -0.853 8.756 -4.129 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -1.990 9.665 -5.833 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -0.757 9.196 -5.464 1.00 0.00 C ATOM 1360 CE3 TRP A 153 0.283 8.228 -3.510 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.430 9.122 -6.188 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.460 8.155 -4.231 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.527 8.600 -5.557 1.00 0.00 C ATOM 0 H TRP A 153 -4.435 6.926 -2.911 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.675 6.828 -2.378 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -3.847 8.906 -2.367 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.319 9.315 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -3.893 9.823 -4.780 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.229 10.050 -6.747 1.00 0.00 H new ATOM 0 HE3 TRP A 153 0.242 7.883 -2.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.483 9.464 -7.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 2.344 7.747 -3.763 1.00 0.00 H new ATOM 0 HH2 TRP A 153 2.462 8.530 -6.092 1.00 0.00 H new