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 79 HIS : no HD1:sc= 0.0968 K(o=1.4,f=-8.7!) USER MOD Set 1.2: A 125 SER OG : rot 87:sc= 1.26 USER MOD Single : A 86 SER OG : rot 160:sc= -0.746 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.13 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 180:sc= -0.0428 USER MOD Single : A 111 LYS NZ :NH3+ 141:sc= -0.186 (180deg=-0.798) USER MOD Single : A 113 MET CE :methyl -152:sc= -0.275 (180deg=-1.01) USER MOD Single : A 115 THR OG1 : rot 180:sc=-0.00966 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= -0.0379 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 140:sc= 0.484 (180deg=-0.0588) USER MOD Single : A 134 ASN : amide:sc= -0.0746 K(o=-0.075,f=-1.6!) USER MOD Single : A 137 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.36) USER MOD Single : A 138 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 139 MET CE :methyl -155:sc= -2.08 (180deg=-4.22!) USER MOD Single : A 142 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.22) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 THR OG1 : rot 21:sc= -2.94! USER MOD Single : A 152 ASN : amide:sc= -0.0239 K(o=-0.024,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.257 7.741 -1.722 1.00 0.00 N ATOM 196 CA PHE A 78 5.808 7.741 -1.890 1.00 0.00 C ATOM 197 C PHE A 78 5.199 6.448 -1.355 1.00 0.00 C ATOM 198 O PHE A 78 5.441 5.367 -1.891 1.00 0.00 O ATOM 199 CB PHE A 78 5.444 7.918 -3.365 1.00 0.00 C ATOM 200 CG PHE A 78 6.115 9.097 -4.011 1.00 0.00 C ATOM 201 CD1 PHE A 78 5.605 10.375 -3.850 1.00 0.00 C ATOM 202 CD2 PHE A 78 7.256 8.926 -4.779 1.00 0.00 C ATOM 203 CE1 PHE A 78 6.221 11.461 -4.443 1.00 0.00 C ATOM 204 CE2 PHE A 78 7.876 10.008 -5.375 1.00 0.00 C ATOM 205 CZ PHE A 78 7.358 11.278 -5.206 1.00 0.00 C ATOM 0 HA PHE A 78 5.401 8.577 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.715 7.013 -3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.364 8.032 -3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.716 10.524 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.665 7.936 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.814 12.452 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.764 9.861 -5.972 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.841 12.126 -5.669 1.00 0.00 H new ATOM 215 N HIS A 79 4.406 6.569 -0.295 1.00 0.00 N ATOM 216 CA HIS A 79 3.762 5.410 0.313 1.00 0.00 C ATOM 217 C HIS A 79 2.428 5.112 -0.366 1.00 0.00 C ATOM 218 O HIS A 79 1.744 6.019 -0.839 1.00 0.00 O ATOM 219 CB HIS A 79 3.544 5.647 1.808 1.00 0.00 C ATOM 220 CG HIS A 79 4.788 6.050 2.538 1.00 0.00 C ATOM 221 ND1 HIS A 79 5.994 5.399 2.387 1.00 0.00 N ATOM 222 CD2 HIS A 79 5.009 7.047 3.427 1.00 0.00 C ATOM 223 CE1 HIS A 79 6.903 5.976 3.152 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.331 6.979 3.794 1.00 0.00 N ATOM 0 H HIS A 79 4.194 7.457 0.160 1.00 0.00 H new ATOM 0 HA HIS A 79 4.418 4.550 0.181 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.789 6.422 1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.147 4.737 2.258 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.282 7.762 3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.938 5.679 3.238 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.796 7.602 4.455 1.00 0.00 H new ATOM 232 N VAL A 80 2.066 3.833 -0.411 1.00 0.00 N ATOM 233 CA VAL A 80 0.815 3.415 -1.032 1.00 0.00 C ATOM 234 C VAL A 80 -0.048 2.628 -0.053 1.00 0.00 C ATOM 235 O VAL A 80 0.455 1.806 0.713 1.00 0.00 O ATOM 236 CB VAL A 80 1.069 2.554 -2.283 1.00 0.00 C ATOM 237 CG1 VAL A 80 -0.203 1.835 -2.705 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.608 3.411 -3.419 1.00 0.00 C ATOM 0 H VAL A 80 2.621 3.069 -0.025 1.00 0.00 H new ATOM 0 HA VAL A 80 0.289 4.323 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 80 1.819 1.802 -2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.003 1.232 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.542 1.189 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.977 2.568 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.782 2.786 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.883 4.187 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.546 3.874 -3.112 1.00 0.00 H new ATOM 248 N PHE A 81 -1.352 2.883 -0.084 1.00 0.00 N ATOM 249 CA PHE A 81 -2.287 2.198 0.801 1.00 0.00 C ATOM 250 C PHE A 81 -2.849 0.946 0.135 1.00 0.00 C ATOM 251 O PHE A 81 -3.244 0.973 -1.031 1.00 0.00 O ATOM 252 CB PHE A 81 -3.430 3.136 1.195 1.00 0.00 C ATOM 253 CG PHE A 81 -4.654 2.416 1.684 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.671 1.818 2.933 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.789 2.338 0.892 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.796 1.156 3.386 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.917 1.677 1.340 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.921 1.084 2.587 1.00 0.00 C ATOM 0 H PHE A 81 -1.785 3.559 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.746 1.899 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.081 3.814 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.698 3.750 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.794 1.870 3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.792 2.798 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.796 0.696 4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.796 1.624 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.801 0.565 2.937 1.00 0.00 H new ATOM 268 N VAL A 82 -2.880 -0.152 0.884 1.00 0.00 N ATOM 269 CA VAL A 82 -3.393 -1.415 0.367 1.00 0.00 C ATOM 270 C VAL A 82 -4.366 -2.057 1.350 1.00 0.00 C ATOM 271 O VAL A 82 -3.968 -2.528 2.415 1.00 0.00 O ATOM 272 CB VAL A 82 -2.252 -2.406 0.071 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.744 -3.538 -0.817 1.00 0.00 C ATOM 274 CG2 VAL A 82 -1.075 -1.687 -0.571 1.00 0.00 C ATOM 0 H VAL A 82 -2.556 -0.192 1.850 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.916 -1.187 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.915 -2.837 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.924 -4.228 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.552 -4.070 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.110 -3.129 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.278 -2.402 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.396 -1.227 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.707 -0.916 0.105 1.00 0.00 H new ATOM 284 N GLY A 83 -5.645 -2.071 0.986 1.00 0.00 N ATOM 285 CA GLY A 83 -6.655 -2.657 1.847 1.00 0.00 C ATOM 286 C GLY A 83 -7.343 -3.846 1.207 1.00 0.00 C ATOM 287 O GLY A 83 -7.153 -4.118 0.021 1.00 0.00 O ATOM 0 H GLY A 83 -5.999 -1.687 0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.193 -2.969 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.400 -1.901 2.095 1.00 0.00 H new ATOM 291 N ASP A 84 -8.143 -4.558 1.993 1.00 0.00 N ATOM 292 CA ASP A 84 -8.861 -5.726 1.496 1.00 0.00 C ATOM 293 C ASP A 84 -7.897 -6.866 1.186 1.00 0.00 C ATOM 294 O ASP A 84 -7.919 -7.432 0.092 1.00 0.00 O ATOM 295 CB ASP A 84 -9.662 -5.364 0.244 1.00 0.00 C ATOM 296 CG ASP A 84 -10.910 -6.211 0.091 1.00 0.00 C ATOM 297 OD1 ASP A 84 -11.967 -5.813 0.624 1.00 0.00 O ATOM 298 OD2 ASP A 84 -10.830 -7.272 -0.564 1.00 0.00 O ATOM 0 H ASP A 84 -8.311 -4.347 2.977 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.548 -6.057 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.943 -4.312 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.031 -5.489 -0.636 1.00 0.00 H new ATOM 303 N LEU A 85 -7.050 -7.198 2.154 1.00 0.00 N ATOM 304 CA LEU A 85 -6.075 -8.270 1.985 1.00 0.00 C ATOM 305 C LEU A 85 -6.450 -9.484 2.828 1.00 0.00 C ATOM 306 O LEU A 85 -6.754 -9.359 4.014 1.00 0.00 O ATOM 307 CB LEU A 85 -4.677 -7.781 2.367 1.00 0.00 C ATOM 308 CG LEU A 85 -4.263 -6.422 1.801 1.00 0.00 C ATOM 309 CD1 LEU A 85 -2.990 -5.930 2.472 1.00 0.00 C ATOM 310 CD2 LEU A 85 -4.075 -6.508 0.293 1.00 0.00 C ATOM 0 H LEU A 85 -7.019 -6.740 3.065 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.075 -8.565 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.615 -7.733 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.951 -8.525 2.039 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.058 -5.706 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.711 -4.962 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.159 -5.830 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.187 -6.645 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.781 -5.532 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.299 -7.238 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.011 -6.815 -0.173 1.00 0.00 H new ATOM 322 N SER A 86 -6.423 -10.660 2.208 1.00 0.00 N ATOM 323 CA SER A 86 -6.762 -11.897 2.901 1.00 0.00 C ATOM 324 C SER A 86 -5.907 -12.070 4.153 1.00 0.00 C ATOM 325 O SER A 86 -4.792 -11.558 4.250 1.00 0.00 O ATOM 326 CB SER A 86 -6.570 -13.097 1.970 1.00 0.00 C ATOM 327 OG SER A 86 -6.212 -14.257 2.700 1.00 0.00 O ATOM 0 H SER A 86 -6.170 -10.782 1.227 1.00 0.00 H new ATOM 0 HA SER A 86 -7.809 -11.841 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.490 -13.282 1.416 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.796 -12.872 1.236 1.00 0.00 H new ATOM 0 HG SER A 86 -6.404 -15.054 2.163 1.00 0.00 H new ATOM 333 N PRO A 87 -6.442 -12.810 5.136 1.00 0.00 N ATOM 334 CA PRO A 87 -5.747 -13.068 6.400 1.00 0.00 C ATOM 335 C PRO A 87 -4.548 -13.993 6.223 1.00 0.00 C ATOM 336 O PRO A 87 -3.734 -14.149 7.133 1.00 0.00 O ATOM 337 CB PRO A 87 -6.818 -13.740 7.263 1.00 0.00 C ATOM 338 CG PRO A 87 -7.758 -14.359 6.287 1.00 0.00 C ATOM 339 CD PRO A 87 -7.767 -13.451 5.088 1.00 0.00 C ATOM 0 HA PRO A 87 -5.340 -12.155 6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.382 -14.490 7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.327 -13.015 7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.432 -15.363 6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.757 -14.453 6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.910 -14.009 4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.571 -12.717 5.146 1.00 0.00 H new ATOM 347 N GLU A 88 -4.445 -14.603 5.047 1.00 0.00 N ATOM 348 CA GLU A 88 -3.344 -15.513 4.752 1.00 0.00 C ATOM 349 C GLU A 88 -2.203 -14.779 4.053 1.00 0.00 C ATOM 350 O GLU A 88 -1.114 -15.326 3.880 1.00 0.00 O ATOM 351 CB GLU A 88 -3.830 -16.672 3.880 1.00 0.00 C ATOM 352 CG GLU A 88 -3.758 -16.384 2.389 1.00 0.00 C ATOM 353 CD GLU A 88 -4.408 -17.469 1.553 1.00 0.00 C ATOM 354 OE1 GLU A 88 -5.654 -17.552 1.555 1.00 0.00 O ATOM 355 OE2 GLU A 88 -3.672 -18.235 0.897 1.00 0.00 O ATOM 0 H GLU A 88 -5.110 -14.484 4.283 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.972 -15.910 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.232 -17.557 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.860 -16.909 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.245 -15.431 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.714 -16.279 2.093 1.00 0.00 H new ATOM 362 N ILE A 89 -2.463 -13.539 3.653 1.00 0.00 N ATOM 363 CA ILE A 89 -1.459 -12.730 2.973 1.00 0.00 C ATOM 364 C ILE A 89 -0.400 -12.233 3.950 1.00 0.00 C ATOM 365 O ILE A 89 -0.715 -11.813 5.064 1.00 0.00 O ATOM 366 CB ILE A 89 -2.097 -11.521 2.264 1.00 0.00 C ATOM 367 CG1 ILE A 89 -3.079 -11.991 1.189 1.00 0.00 C ATOM 368 CG2 ILE A 89 -1.019 -10.636 1.654 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.430 -12.803 0.091 1.00 0.00 C ATOM 0 H ILE A 89 -3.360 -13.073 3.788 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.989 -13.371 2.227 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.648 -10.936 3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.860 -12.589 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.565 -11.121 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.485 -9.786 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.355 -10.277 2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.444 -11.211 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.186 -13.102 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.668 -12.201 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.968 -13.692 0.520 1.00 0.00 H new ATOM 381 N THR A 90 0.859 -12.281 3.526 1.00 0.00 N ATOM 382 CA THR A 90 1.965 -11.834 4.363 1.00 0.00 C ATOM 383 C THR A 90 2.697 -10.658 3.726 1.00 0.00 C ATOM 384 O THR A 90 2.506 -10.359 2.546 1.00 0.00 O ATOM 385 CB THR A 90 2.971 -12.972 4.619 1.00 0.00 C ATOM 386 OG1 THR A 90 3.917 -12.575 5.618 1.00 0.00 O ATOM 387 CG2 THR A 90 3.704 -13.345 3.339 1.00 0.00 C ATOM 0 H THR A 90 1.138 -12.625 2.607 1.00 0.00 H new ATOM 0 HA THR A 90 1.534 -11.518 5.313 1.00 0.00 H new ATOM 0 HB THR A 90 2.418 -13.843 4.969 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.552 -13.305 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.409 -14.151 3.545 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.984 -13.675 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.245 -12.477 2.963 1.00 0.00 H new ATOM 395 N THR A 91 3.537 -9.993 4.513 1.00 0.00 N ATOM 396 CA THR A 91 4.297 -8.849 4.025 1.00 0.00 C ATOM 397 C THR A 91 4.873 -9.122 2.640 1.00 0.00 C ATOM 398 O THR A 91 4.777 -8.285 1.744 1.00 0.00 O ATOM 399 CB THR A 91 5.447 -8.489 4.985 1.00 0.00 C ATOM 400 OG1 THR A 91 4.926 -8.199 6.287 1.00 0.00 O ATOM 401 CG2 THR A 91 6.229 -7.291 4.467 1.00 0.00 C ATOM 0 H THR A 91 3.708 -10.227 5.491 1.00 0.00 H new ATOM 0 HA THR A 91 3.604 -8.010 3.968 1.00 0.00 H new ATOM 0 HB THR A 91 6.121 -9.344 5.046 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.663 -7.973 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.036 -7.055 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.649 -7.526 3.489 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.563 -6.432 4.379 1.00 0.00 H new ATOM 409 N GLU A 92 5.470 -10.298 2.473 1.00 0.00 N ATOM 410 CA GLU A 92 6.061 -10.679 1.196 1.00 0.00 C ATOM 411 C GLU A 92 5.034 -10.586 0.072 1.00 0.00 C ATOM 412 O GLU A 92 5.232 -9.867 -0.908 1.00 0.00 O ATOM 413 CB GLU A 92 6.623 -12.100 1.273 1.00 0.00 C ATOM 414 CG GLU A 92 7.723 -12.264 2.308 1.00 0.00 C ATOM 415 CD GLU A 92 8.491 -13.562 2.143 1.00 0.00 C ATOM 416 OE1 GLU A 92 7.992 -14.610 2.603 1.00 0.00 O ATOM 417 OE2 GLU A 92 9.590 -13.528 1.552 1.00 0.00 O ATOM 0 H GLU A 92 5.557 -11.003 3.205 1.00 0.00 H new ATOM 0 HA GLU A 92 6.874 -9.986 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.812 -12.790 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.012 -12.382 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.415 -11.425 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.286 -12.229 3.306 1.00 0.00 H new ATOM 424 N ASP A 93 3.936 -11.320 0.220 1.00 0.00 N ATOM 425 CA ASP A 93 2.876 -11.321 -0.782 1.00 0.00 C ATOM 426 C ASP A 93 2.724 -9.941 -1.414 1.00 0.00 C ATOM 427 O ASP A 93 2.853 -9.786 -2.628 1.00 0.00 O ATOM 428 CB ASP A 93 1.552 -11.757 -0.153 1.00 0.00 C ATOM 429 CG ASP A 93 1.350 -13.259 -0.210 1.00 0.00 C ATOM 430 OD1 ASP A 93 1.181 -13.792 -1.326 1.00 0.00 O ATOM 431 OD2 ASP A 93 1.361 -13.900 0.862 1.00 0.00 O ATOM 0 H ASP A 93 3.757 -11.922 1.024 1.00 0.00 H new ATOM 0 HA ASP A 93 3.149 -12.030 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.521 -11.428 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.728 -11.263 -0.668 1.00 0.00 H new ATOM 436 N ILE A 94 2.448 -8.942 -0.582 1.00 0.00 N ATOM 437 CA ILE A 94 2.278 -7.576 -1.059 1.00 0.00 C ATOM 438 C ILE A 94 3.418 -7.172 -1.988 1.00 0.00 C ATOM 439 O ILE A 94 3.196 -6.821 -3.147 1.00 0.00 O ATOM 440 CB ILE A 94 2.204 -6.576 0.110 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.038 -6.926 1.036 1.00 0.00 C ATOM 442 CG2 ILE A 94 2.063 -5.155 -0.417 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.699 -5.829 2.021 1.00 0.00 C ATOM 0 H ILE A 94 2.337 -9.054 0.426 1.00 0.00 H new ATOM 0 HA ILE A 94 1.337 -7.549 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 94 3.129 -6.640 0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.158 -7.145 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.282 -7.835 1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.012 -4.460 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.924 -4.911 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.152 -5.076 -1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.137 -6.146 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.565 -5.625 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.424 -4.925 1.478 1.00 0.00 H new ATOM 455 N LYS A 95 4.642 -7.227 -1.472 1.00 0.00 N ATOM 456 CA LYS A 95 5.819 -6.871 -2.255 1.00 0.00 C ATOM 457 C LYS A 95 5.810 -7.580 -3.605 1.00 0.00 C ATOM 458 O LYS A 95 6.178 -6.998 -4.625 1.00 0.00 O ATOM 459 CB LYS A 95 7.094 -7.229 -1.487 1.00 0.00 C ATOM 460 CG LYS A 95 7.620 -6.098 -0.620 1.00 0.00 C ATOM 461 CD LYS A 95 8.729 -6.573 0.304 1.00 0.00 C ATOM 462 CE LYS A 95 8.177 -7.050 1.638 1.00 0.00 C ATOM 463 NZ LYS A 95 9.217 -7.731 2.457 1.00 0.00 N ATOM 0 H LYS A 95 4.844 -7.515 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 95 5.797 -5.795 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.897 -8.097 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.867 -7.520 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.994 -5.295 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.805 -5.683 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.280 -7.383 -0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.437 -5.761 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.779 -6.199 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.347 -7.734 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.801 -8.041 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.580 -8.558 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.998 -7.071 2.645 1.00 0.00 H new ATOM 477 N ALA A 96 5.386 -8.839 -3.604 1.00 0.00 N ATOM 478 CA ALA A 96 5.326 -9.626 -4.830 1.00 0.00 C ATOM 479 C ALA A 96 4.360 -9.005 -5.834 1.00 0.00 C ATOM 480 O ALA A 96 4.516 -9.171 -7.043 1.00 0.00 O ATOM 481 CB ALA A 96 4.917 -11.058 -4.518 1.00 0.00 C ATOM 0 H ALA A 96 5.079 -9.336 -2.768 1.00 0.00 H new ATOM 0 HA ALA A 96 6.320 -9.633 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.876 -11.634 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.646 -11.506 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.935 -11.061 -4.045 1.00 0.00 H new ATOM 487 N ALA A 97 3.363 -8.289 -5.324 1.00 0.00 N ATOM 488 CA ALA A 97 2.374 -7.642 -6.177 1.00 0.00 C ATOM 489 C ALA A 97 2.934 -6.367 -6.798 1.00 0.00 C ATOM 490 O ALA A 97 2.878 -6.180 -8.014 1.00 0.00 O ATOM 491 CB ALA A 97 1.113 -7.335 -5.383 1.00 0.00 C ATOM 0 H ALA A 97 3.219 -8.143 -4.325 1.00 0.00 H new ATOM 0 HA ALA A 97 2.123 -8.328 -6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.383 -6.852 -6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.694 -8.262 -4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.358 -6.670 -4.554 1.00 0.00 H new ATOM 497 N PHE A 98 3.473 -5.492 -5.956 1.00 0.00 N ATOM 498 CA PHE A 98 4.042 -4.233 -6.423 1.00 0.00 C ATOM 499 C PHE A 98 5.519 -4.399 -6.769 1.00 0.00 C ATOM 500 O PHE A 98 6.241 -3.418 -6.945 1.00 0.00 O ATOM 501 CB PHE A 98 3.876 -3.148 -5.357 1.00 0.00 C ATOM 502 CG PHE A 98 2.456 -2.966 -4.903 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.874 -3.870 -4.028 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.703 -1.893 -5.350 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.567 -3.706 -3.608 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.396 -1.723 -4.933 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.173 -2.632 -4.062 1.00 0.00 C ATOM 0 H PHE A 98 3.528 -5.631 -4.947 1.00 0.00 H new ATOM 0 HA PHE A 98 3.507 -3.933 -7.324 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.495 -3.398 -4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.247 -2.202 -5.752 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.448 -4.712 -3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.142 -1.181 -6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.125 -4.417 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.180 -0.881 -5.288 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.195 -2.503 -3.737 1.00 0.00 H new ATOM 517 N ALA A 99 5.961 -5.649 -6.866 1.00 0.00 N ATOM 518 CA ALA A 99 7.351 -5.944 -7.193 1.00 0.00 C ATOM 519 C ALA A 99 7.677 -5.532 -8.624 1.00 0.00 C ATOM 520 O ALA A 99 8.550 -4.699 -8.872 1.00 0.00 O ATOM 521 CB ALA A 99 7.637 -7.424 -6.989 1.00 0.00 C ATOM 0 H ALA A 99 5.377 -6.473 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 99 7.988 -5.366 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.678 -7.631 -7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.452 -7.690 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.986 -8.013 -7.636 1.00 0.00 H new ATOM 527 N PRO A 100 6.963 -6.128 -9.590 1.00 0.00 N ATOM 528 CA PRO A 100 7.160 -5.838 -11.014 1.00 0.00 C ATOM 529 C PRO A 100 6.686 -4.439 -11.391 1.00 0.00 C ATOM 530 O PRO A 100 6.794 -4.026 -12.546 1.00 0.00 O ATOM 531 CB PRO A 100 6.305 -6.898 -11.713 1.00 0.00 C ATOM 532 CG PRO A 100 5.257 -7.257 -10.717 1.00 0.00 C ATOM 533 CD PRO A 100 5.907 -7.130 -9.367 1.00 0.00 C ATOM 0 HA PRO A 100 8.213 -5.867 -11.294 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.863 -6.508 -12.630 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.901 -7.767 -11.991 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.396 -6.593 -10.800 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.894 -8.272 -10.881 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.196 -6.803 -8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.320 -8.080 -9.029 1.00 0.00 H new ATOM 541 N PHE A 101 6.162 -3.711 -10.410 1.00 0.00 N ATOM 542 CA PHE A 101 5.672 -2.357 -10.640 1.00 0.00 C ATOM 543 C PHE A 101 6.699 -1.323 -10.188 1.00 0.00 C ATOM 544 O PHE A 101 6.514 -0.123 -10.383 1.00 0.00 O ATOM 545 CB PHE A 101 4.351 -2.138 -9.900 1.00 0.00 C ATOM 546 CG PHE A 101 3.190 -2.864 -10.518 1.00 0.00 C ATOM 547 CD1 PHE A 101 2.928 -4.185 -10.190 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.360 -2.226 -11.425 1.00 0.00 C ATOM 549 CE1 PHE A 101 1.861 -4.855 -10.758 1.00 0.00 C ATOM 550 CE2 PHE A 101 1.291 -2.891 -11.996 1.00 0.00 C ATOM 551 CZ PHE A 101 1.041 -4.207 -11.661 1.00 0.00 C ATOM 0 H PHE A 101 6.066 -4.036 -9.448 1.00 0.00 H new ATOM 0 HA PHE A 101 5.506 -2.234 -11.710 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.465 -2.464 -8.866 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.130 -1.071 -9.875 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.565 -4.696 -9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.550 -1.196 -11.689 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.668 -5.885 -10.496 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.652 -2.382 -12.703 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.206 -4.729 -12.104 1.00 0.00 H new ATOM 561 N GLY A 102 7.782 -1.799 -9.582 1.00 0.00 N ATOM 562 CA GLY A 102 8.822 -0.903 -9.110 1.00 0.00 C ATOM 563 C GLY A 102 9.451 -1.376 -7.815 1.00 0.00 C ATOM 564 O GLY A 102 8.763 -1.901 -6.938 1.00 0.00 O ATOM 0 H GLY A 102 7.958 -2.789 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.594 -0.813 -9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.401 0.092 -8.964 1.00 0.00 H new ATOM 568 N ARG A 103 10.761 -1.191 -7.693 1.00 0.00 N ATOM 569 CA ARG A 103 11.483 -1.605 -6.496 1.00 0.00 C ATOM 570 C ARG A 103 10.802 -1.073 -5.239 1.00 0.00 C ATOM 571 O ARG A 103 10.562 0.128 -5.112 1.00 0.00 O ATOM 572 CB ARG A 103 12.931 -1.113 -6.552 1.00 0.00 C ATOM 573 CG ARG A 103 13.859 -2.037 -7.322 1.00 0.00 C ATOM 574 CD ARG A 103 15.050 -1.282 -7.892 1.00 0.00 C ATOM 575 NE ARG A 103 15.903 -2.142 -8.708 1.00 0.00 N ATOM 576 CZ ARG A 103 16.768 -1.680 -9.605 1.00 0.00 C ATOM 577 NH1 ARG A 103 16.892 -0.375 -9.800 1.00 0.00 N ATOM 578 NH2 ARG A 103 17.510 -2.526 -10.309 1.00 0.00 N ATOM 0 H ARG A 103 11.344 -0.757 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 103 11.478 -2.694 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.952 -0.125 -7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.307 -1.000 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.211 -2.831 -6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.308 -2.515 -8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.695 -0.446 -8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.636 -0.860 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 103 15.831 -3.152 -8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.323 0.278 -9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.557 -0.023 -10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.416 -3.531 -10.162 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.174 -2.171 -10.997 1.00 0.00 H new ATOM 592 N ILE A 104 10.492 -1.975 -4.313 1.00 0.00 N ATOM 593 CA ILE A 104 9.839 -1.596 -3.066 1.00 0.00 C ATOM 594 C ILE A 104 10.848 -1.488 -1.928 1.00 0.00 C ATOM 595 O ILE A 104 11.823 -2.237 -1.875 1.00 0.00 O ATOM 596 CB ILE A 104 8.746 -2.607 -2.674 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.865 -2.934 -3.881 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.905 -2.060 -1.530 1.00 0.00 C ATOM 599 CD1 ILE A 104 7.008 -4.165 -3.689 1.00 0.00 C ATOM 0 H ILE A 104 10.683 -2.973 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 104 9.379 -0.622 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 104 9.226 -3.527 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.219 -2.081 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.500 -3.076 -4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.137 -2.786 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.543 -1.874 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.432 -1.128 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.410 -4.336 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.648 -5.029 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.347 -4.019 -2.834 1.00 0.00 H new ATOM 611 N SER A 105 10.606 -0.550 -1.018 1.00 0.00 N ATOM 612 CA SER A 105 11.495 -0.341 0.120 1.00 0.00 C ATOM 613 C SER A 105 10.754 -0.563 1.435 1.00 0.00 C ATOM 614 O SER A 105 11.121 -1.430 2.228 1.00 0.00 O ATOM 615 CB SER A 105 12.082 1.071 0.083 1.00 0.00 C ATOM 616 OG SER A 105 13.371 1.103 0.670 1.00 0.00 O ATOM 0 H SER A 105 9.802 0.077 -1.046 1.00 0.00 H new ATOM 0 HA SER A 105 12.307 -1.065 0.054 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.140 1.417 -0.949 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.421 1.757 0.612 1.00 0.00 H new ATOM 0 HG SER A 105 13.725 2.016 0.632 1.00 0.00 H new ATOM 622 N ASP A 106 9.710 0.228 1.659 1.00 0.00 N ATOM 623 CA ASP A 106 8.916 0.119 2.878 1.00 0.00 C ATOM 624 C ASP A 106 7.628 -0.657 2.619 1.00 0.00 C ATOM 625 O ASP A 106 6.614 -0.081 2.227 1.00 0.00 O ATOM 626 CB ASP A 106 8.589 1.509 3.425 1.00 0.00 C ATOM 627 CG ASP A 106 9.818 2.389 3.542 1.00 0.00 C ATOM 628 OD1 ASP A 106 10.237 2.964 2.515 1.00 0.00 O ATOM 629 OD2 ASP A 106 10.360 2.504 4.661 1.00 0.00 O ATOM 0 H ASP A 106 9.394 0.951 1.013 1.00 0.00 H new ATOM 0 HA ASP A 106 9.503 -0.424 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.861 1.991 2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.122 1.410 4.405 1.00 0.00 H new ATOM 634 N ALA A 107 7.677 -1.966 2.841 1.00 0.00 N ATOM 635 CA ALA A 107 6.514 -2.820 2.633 1.00 0.00 C ATOM 636 C ALA A 107 6.252 -3.697 3.852 1.00 0.00 C ATOM 637 O ALA A 107 7.132 -4.433 4.300 1.00 0.00 O ATOM 638 CB ALA A 107 6.706 -3.680 1.393 1.00 0.00 C ATOM 0 H ALA A 107 8.509 -2.458 3.165 1.00 0.00 H new ATOM 0 HA ALA A 107 5.645 -2.179 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.830 -4.313 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.836 -3.038 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.589 -4.306 1.518 1.00 0.00 H new ATOM 644 N ARG A 108 5.038 -3.614 4.386 1.00 0.00 N ATOM 645 CA ARG A 108 4.661 -4.399 5.555 1.00 0.00 C ATOM 646 C ARG A 108 3.145 -4.548 5.645 1.00 0.00 C ATOM 647 O ARG A 108 2.399 -3.794 5.021 1.00 0.00 O ATOM 648 CB ARG A 108 5.197 -3.745 6.829 1.00 0.00 C ATOM 649 CG ARG A 108 4.400 -2.527 7.269 1.00 0.00 C ATOM 650 CD ARG A 108 4.771 -2.099 8.680 1.00 0.00 C ATOM 651 NE ARG A 108 4.535 -3.160 9.655 1.00 0.00 N ATOM 652 CZ ARG A 108 4.615 -2.983 10.969 1.00 0.00 C ATOM 653 NH1 ARG A 108 4.923 -1.792 11.463 1.00 0.00 N ATOM 654 NH2 ARG A 108 4.387 -3.998 11.792 1.00 0.00 N ATOM 0 H ARG A 108 4.298 -3.010 4.027 1.00 0.00 H new ATOM 0 HA ARG A 108 5.100 -5.391 5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.195 -4.480 7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.234 -3.451 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.581 -1.703 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.334 -2.752 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 108 5.822 -1.810 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 108 4.191 -1.218 8.956 1.00 0.00 H new ATOM 0 HE ARG A 108 4.295 -4.089 9.308 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.099 -1.009 10.834 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.984 -1.659 12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 108 4.150 -4.916 11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 108 4.449 -3.860 12.801 1.00 0.00 H new ATOM 668 N VAL A 109 2.697 -5.527 6.424 1.00 0.00 N ATOM 669 CA VAL A 109 1.271 -5.775 6.596 1.00 0.00 C ATOM 670 C VAL A 109 0.830 -5.481 8.026 1.00 0.00 C ATOM 671 O VAL A 109 1.279 -6.129 8.971 1.00 0.00 O ATOM 672 CB VAL A 109 0.908 -7.231 6.249 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.554 -7.507 6.564 1.00 0.00 C ATOM 674 CG2 VAL A 109 1.211 -7.521 4.786 1.00 0.00 C ATOM 0 H VAL A 109 3.301 -6.161 6.946 1.00 0.00 H new ATOM 0 HA VAL A 109 0.749 -5.105 5.912 1.00 0.00 H new ATOM 0 HB VAL A 109 1.518 -7.895 6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.792 -8.541 6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.735 -7.341 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.185 -6.837 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.949 -8.554 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.629 -6.851 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.273 -7.366 4.597 1.00 0.00 H new ATOM 684 N VAL A 110 -0.052 -4.498 8.177 1.00 0.00 N ATOM 685 CA VAL A 110 -0.555 -4.118 9.491 1.00 0.00 C ATOM 686 C VAL A 110 -1.100 -5.328 10.242 1.00 0.00 C ATOM 687 O VAL A 110 -1.793 -6.168 9.668 1.00 0.00 O ATOM 688 CB VAL A 110 -1.664 -3.054 9.382 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.306 -2.809 10.739 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.105 -1.761 8.807 1.00 0.00 C ATOM 0 H VAL A 110 -0.433 -3.951 7.405 1.00 0.00 H new ATOM 0 HA VAL A 110 0.287 -3.700 10.043 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.434 -3.425 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.087 -2.055 10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.743 -3.737 11.108 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.550 -2.459 11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.901 -1.020 8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.316 -1.385 9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.697 -1.951 7.814 1.00 0.00 H new ATOM 700 N LYS A 111 -0.784 -5.410 11.530 1.00 0.00 N ATOM 701 CA LYS A 111 -1.242 -6.515 12.362 1.00 0.00 C ATOM 702 C LYS A 111 -1.873 -6.000 13.652 1.00 0.00 C ATOM 703 O LYS A 111 -1.590 -4.886 14.091 1.00 0.00 O ATOM 704 CB LYS A 111 -0.077 -7.451 12.690 1.00 0.00 C ATOM 705 CG LYS A 111 0.154 -8.526 11.642 1.00 0.00 C ATOM 706 CD LYS A 111 1.586 -9.033 11.669 1.00 0.00 C ATOM 707 CE LYS A 111 2.465 -8.274 10.687 1.00 0.00 C ATOM 708 NZ LYS A 111 2.952 -6.988 11.258 1.00 0.00 N ATOM 0 H LYS A 111 -0.212 -4.723 12.020 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.998 -7.068 11.804 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.833 -6.861 12.799 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.265 -7.928 13.652 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.530 -9.357 11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.073 -8.126 10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.991 -8.930 12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.601 -10.096 11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.317 -8.894 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.903 -8.076 9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.938 -6.830 10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.359 -6.207 10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.899 -7.027 12.296 1.00 0.00 H new ATOM 722 N ASP A 112 -2.728 -6.819 14.255 1.00 0.00 N ATOM 723 CA ASP A 112 -3.397 -6.447 15.496 1.00 0.00 C ATOM 724 C ASP A 112 -2.388 -6.280 16.628 1.00 0.00 C ATOM 725 O ASP A 112 -1.687 -7.224 16.992 1.00 0.00 O ATOM 726 CB ASP A 112 -4.438 -7.502 15.876 1.00 0.00 C ATOM 727 CG ASP A 112 -5.430 -6.993 16.903 1.00 0.00 C ATOM 728 OD1 ASP A 112 -5.036 -6.160 17.745 1.00 0.00 O ATOM 729 OD2 ASP A 112 -6.600 -7.429 16.865 1.00 0.00 O ATOM 0 H ASP A 112 -2.974 -7.745 13.904 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.899 -5.493 15.337 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.975 -7.817 14.981 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.931 -8.383 16.270 1.00 0.00 H new ATOM 734 N MET A 113 -2.320 -5.073 17.180 1.00 0.00 N ATOM 735 CA MET A 113 -1.397 -4.783 18.271 1.00 0.00 C ATOM 736 C MET A 113 -1.772 -5.568 19.524 1.00 0.00 C ATOM 737 O MET A 113 -1.017 -5.601 20.496 1.00 0.00 O ATOM 738 CB MET A 113 -1.390 -3.284 18.577 1.00 0.00 C ATOM 739 CG MET A 113 -1.086 -2.962 20.031 1.00 0.00 C ATOM 740 SD MET A 113 -2.505 -3.229 21.112 1.00 0.00 S ATOM 741 CE MET A 113 -3.647 -2.002 20.482 1.00 0.00 C ATOM 0 H MET A 113 -2.893 -4.280 16.890 1.00 0.00 H new ATOM 0 HA MET A 113 -0.398 -5.087 17.959 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.650 -2.796 17.943 1.00 0.00 H new ATOM 0 HB3 MET A 113 -2.361 -2.864 18.316 1.00 0.00 H new ATOM 0 HG2 MET A 113 -0.254 -3.580 20.370 1.00 0.00 H new ATOM 0 HG3 MET A 113 -0.764 -1.924 20.110 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.318 -1.686 21.281 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.089 -1.141 20.114 1.00 0.00 H new ATOM 0 HE3 MET A 113 -4.230 -2.432 19.667 1.00 0.00 H new ATOM 751 N ALA A 114 -2.941 -6.198 19.494 1.00 0.00 N ATOM 752 CA ALA A 114 -3.415 -6.984 20.627 1.00 0.00 C ATOM 753 C ALA A 114 -3.018 -8.450 20.482 1.00 0.00 C ATOM 754 O ALA A 114 -2.412 -9.032 21.382 1.00 0.00 O ATOM 755 CB ALA A 114 -4.924 -6.855 20.764 1.00 0.00 C ATOM 0 H ALA A 114 -3.578 -6.180 18.697 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.945 -6.595 21.530 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.264 -7.447 21.614 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.187 -5.809 20.922 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.404 -7.216 19.855 1.00 0.00 H new ATOM 761 N THR A 115 -3.365 -9.042 19.344 1.00 0.00 N ATOM 762 CA THR A 115 -3.047 -10.441 19.083 1.00 0.00 C ATOM 763 C THR A 115 -1.827 -10.567 18.178 1.00 0.00 C ATOM 764 O THR A 115 -1.024 -11.486 18.328 1.00 0.00 O ATOM 765 CB THR A 115 -4.235 -11.174 18.430 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.378 -10.758 17.068 1.00 0.00 O ATOM 767 CG2 THR A 115 -5.524 -10.898 19.189 1.00 0.00 C ATOM 0 H THR A 115 -3.866 -8.575 18.588 1.00 0.00 H new ATOM 0 HA THR A 115 -2.830 -10.902 20.047 1.00 0.00 H new ATOM 0 HB THR A 115 -4.036 -12.245 18.463 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.134 -11.229 16.660 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.349 -11.426 18.710 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.421 -11.243 20.218 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.727 -9.827 19.184 1.00 0.00 H new ATOM 775 N GLY A 116 -1.695 -9.636 17.237 1.00 0.00 N ATOM 776 CA GLY A 116 -0.569 -9.662 16.322 1.00 0.00 C ATOM 777 C GLY A 116 -0.881 -10.408 15.040 1.00 0.00 C ATOM 778 O GLY A 116 0.013 -10.969 14.405 1.00 0.00 O ATOM 0 H GLY A 116 -2.347 -8.865 17.093 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.276 -8.640 16.082 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.284 -10.131 16.813 1.00 0.00 H new ATOM 782 N LYS A 117 -2.153 -10.416 14.656 1.00 0.00 N ATOM 783 CA LYS A 117 -2.583 -11.098 13.442 1.00 0.00 C ATOM 784 C LYS A 117 -2.768 -10.107 12.297 1.00 0.00 C ATOM 785 O LYS A 117 -2.993 -8.918 12.524 1.00 0.00 O ATOM 786 CB LYS A 117 -3.889 -11.855 13.692 1.00 0.00 C ATOM 787 CG LYS A 117 -3.719 -13.091 14.559 1.00 0.00 C ATOM 788 CD LYS A 117 -5.024 -13.857 14.699 1.00 0.00 C ATOM 789 CE LYS A 117 -4.848 -15.108 15.546 1.00 0.00 C ATOM 790 NZ LYS A 117 -6.032 -16.007 15.460 1.00 0.00 N ATOM 0 H LYS A 117 -2.905 -9.957 15.170 1.00 0.00 H new ATOM 0 HA LYS A 117 -1.806 -11.809 13.161 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.603 -11.183 14.168 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.318 -12.149 12.734 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.960 -13.740 14.124 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.360 -12.798 15.546 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.778 -13.213 15.151 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.392 -14.134 13.711 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -3.959 -15.646 15.218 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.683 -14.823 16.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.873 -16.848 16.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.877 -15.502 15.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.174 -16.300 14.472 1.00 0.00 H new ATOM 804 N SER A 118 -2.675 -10.604 11.068 1.00 0.00 N ATOM 805 CA SER A 118 -2.830 -9.761 9.889 1.00 0.00 C ATOM 806 C SER A 118 -4.119 -8.949 9.967 1.00 0.00 C ATOM 807 O SER A 118 -5.218 -9.492 9.844 1.00 0.00 O ATOM 808 CB SER A 118 -2.830 -10.617 8.621 1.00 0.00 C ATOM 809 OG SER A 118 -3.073 -9.826 7.471 1.00 0.00 O ATOM 0 H SER A 118 -2.493 -11.586 10.863 1.00 0.00 H new ATOM 0 HA SER A 118 -1.987 -9.070 9.853 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.870 -11.124 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.593 -11.391 8.701 1.00 0.00 H new ATOM 0 HG SER A 118 -3.066 -10.396 6.674 1.00 0.00 H new ATOM 815 N LYS A 119 -3.978 -7.645 10.174 1.00 0.00 N ATOM 816 CA LYS A 119 -5.129 -6.755 10.268 1.00 0.00 C ATOM 817 C LYS A 119 -5.933 -6.767 8.972 1.00 0.00 C ATOM 818 O LYS A 119 -7.147 -6.969 8.986 1.00 0.00 O ATOM 819 CB LYS A 119 -4.672 -5.329 10.585 1.00 0.00 C ATOM 820 CG LYS A 119 -4.611 -5.026 12.072 1.00 0.00 C ATOM 821 CD LYS A 119 -5.917 -4.432 12.574 1.00 0.00 C ATOM 822 CE LYS A 119 -5.964 -4.395 14.094 1.00 0.00 C ATOM 823 NZ LYS A 119 -7.318 -4.035 14.598 1.00 0.00 N ATOM 0 H LYS A 119 -3.076 -7.180 10.280 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.769 -7.113 11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.686 -5.167 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.352 -4.624 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.391 -5.941 12.622 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.795 -4.331 12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.034 -3.422 12.181 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.754 -5.020 12.197 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.676 -5.369 14.490 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.235 -3.673 14.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.309 -4.020 15.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.583 -3.095 14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.010 -4.738 14.268 1.00 0.00 H new ATOM 837 N GLY A 120 -5.248 -6.550 7.854 1.00 0.00 N ATOM 838 CA GLY A 120 -5.915 -6.541 6.565 1.00 0.00 C ATOM 839 C GLY A 120 -5.312 -5.534 5.606 1.00 0.00 C ATOM 840 O GLY A 120 -5.158 -5.813 4.417 1.00 0.00 O ATOM 0 H GLY A 120 -4.243 -6.380 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -5.859 -7.536 6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.972 -6.314 6.708 1.00 0.00 H new ATOM 844 N TYR A 121 -4.970 -4.359 6.123 1.00 0.00 N ATOM 845 CA TYR A 121 -4.383 -3.305 5.304 1.00 0.00 C ATOM 846 C TYR A 121 -2.869 -3.259 5.478 1.00 0.00 C ATOM 847 O TYR A 121 -2.341 -3.628 6.527 1.00 0.00 O ATOM 848 CB TYR A 121 -4.992 -1.950 5.667 1.00 0.00 C ATOM 849 CG TYR A 121 -5.025 -1.680 7.154 1.00 0.00 C ATOM 850 CD1 TYR A 121 -5.951 -2.313 7.975 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.131 -0.792 7.739 1.00 0.00 C ATOM 852 CE1 TYR A 121 -5.985 -2.069 9.334 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.157 -0.543 9.098 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.086 -1.184 9.891 1.00 0.00 C ATOM 855 OH TYR A 121 -5.117 -0.939 11.245 1.00 0.00 O ATOM 0 H TYR A 121 -5.089 -4.112 7.106 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.603 -3.526 4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.422 -1.162 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -6.008 -1.901 5.275 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.656 -3.008 7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.403 -0.288 7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.712 -2.569 9.957 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.454 0.150 9.537 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.418 -0.293 11.477 1.00 0.00 H new ATOM 865 N GLY A 122 -2.174 -2.800 4.441 1.00 0.00 N ATOM 866 CA GLY A 122 -0.726 -2.712 4.499 1.00 0.00 C ATOM 867 C GLY A 122 -0.194 -1.461 3.830 1.00 0.00 C ATOM 868 O GLY A 122 -0.947 -0.715 3.203 1.00 0.00 O ATOM 0 H GLY A 122 -2.588 -2.488 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.406 -2.727 5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.292 -3.589 4.019 1.00 0.00 H new ATOM 872 N PHE A 123 1.108 -1.228 3.963 1.00 0.00 N ATOM 873 CA PHE A 123 1.739 -0.056 3.368 1.00 0.00 C ATOM 874 C PHE A 123 2.845 -0.467 2.399 1.00 0.00 C ATOM 875 O PHE A 123 3.587 -1.416 2.653 1.00 0.00 O ATOM 876 CB PHE A 123 2.313 0.849 4.460 1.00 0.00 C ATOM 877 CG PHE A 123 1.265 1.450 5.352 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.510 2.531 4.926 1.00 0.00 C ATOM 879 CD2 PHE A 123 1.036 0.935 6.618 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.456 3.086 5.744 1.00 0.00 C ATOM 881 CE2 PHE A 123 0.071 1.486 7.441 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.674 2.563 7.004 1.00 0.00 C ATOM 0 H PHE A 123 1.746 -1.835 4.477 1.00 0.00 H new ATOM 0 HA PHE A 123 0.979 0.493 2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 123 3.010 0.273 5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 123 2.885 1.651 3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.678 2.945 3.943 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.618 0.094 6.966 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.039 3.927 5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -0.100 1.074 8.425 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.426 2.996 7.646 1.00 0.00 H new ATOM 892 N VAL A 124 2.947 0.254 1.287 1.00 0.00 N ATOM 893 CA VAL A 124 3.961 -0.034 0.280 1.00 0.00 C ATOM 894 C VAL A 124 4.569 1.251 -0.271 1.00 0.00 C ATOM 895 O VAL A 124 3.892 2.034 -0.937 1.00 0.00 O ATOM 896 CB VAL A 124 3.377 -0.854 -0.886 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.454 -1.160 -1.915 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.742 -2.136 -0.369 1.00 0.00 C ATOM 0 H VAL A 124 2.340 1.042 1.061 1.00 0.00 H new ATOM 0 HA VAL A 124 4.739 -0.618 0.772 1.00 0.00 H new ATOM 0 HB VAL A 124 2.602 -0.262 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.023 -1.740 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.858 -0.227 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.254 -1.733 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.334 -2.703 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.496 -2.735 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.940 -1.890 0.327 1.00 0.00 H new ATOM 908 N SER A 125 5.851 1.461 0.011 1.00 0.00 N ATOM 909 CA SER A 125 6.550 2.654 -0.454 1.00 0.00 C ATOM 910 C SER A 125 7.469 2.322 -1.626 1.00 0.00 C ATOM 911 O SER A 125 8.019 1.224 -1.707 1.00 0.00 O ATOM 912 CB SER A 125 7.361 3.272 0.686 1.00 0.00 C ATOM 913 OG SER A 125 7.647 4.635 0.428 1.00 0.00 O ATOM 0 H SER A 125 6.426 0.821 0.559 1.00 0.00 H new ATOM 0 HA SER A 125 5.805 3.374 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.806 3.184 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.292 2.720 0.815 1.00 0.00 H new ATOM 0 HG SER A 125 6.903 5.190 0.742 1.00 0.00 H new ATOM 919 N PHE A 126 7.631 3.281 -2.532 1.00 0.00 N ATOM 920 CA PHE A 126 8.482 3.092 -3.701 1.00 0.00 C ATOM 921 C PHE A 126 9.514 4.211 -3.809 1.00 0.00 C ATOM 922 O PHE A 126 9.296 5.320 -3.322 1.00 0.00 O ATOM 923 CB PHE A 126 7.634 3.041 -4.973 1.00 0.00 C ATOM 924 CG PHE A 126 6.524 2.030 -4.913 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.515 2.145 -3.970 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.489 0.966 -5.800 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.493 1.217 -3.913 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.469 0.035 -5.747 1.00 0.00 C ATOM 929 CZ PHE A 126 4.469 0.161 -4.803 1.00 0.00 C ATOM 0 H PHE A 126 7.184 4.196 -2.479 1.00 0.00 H new ATOM 0 HA PHE A 126 9.009 2.145 -3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.207 4.027 -5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.279 2.811 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.528 2.969 -3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.268 0.863 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.713 1.317 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.454 -0.790 -6.443 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.670 -0.564 -4.761 1.00 0.00 H new ATOM 939 N PHE A 127 10.638 3.911 -4.450 1.00 0.00 N ATOM 940 CA PHE A 127 11.705 4.890 -4.621 1.00 0.00 C ATOM 941 C PHE A 127 11.222 6.084 -5.438 1.00 0.00 C ATOM 942 O PHE A 127 11.507 7.233 -5.106 1.00 0.00 O ATOM 943 CB PHE A 127 12.913 4.245 -5.304 1.00 0.00 C ATOM 944 CG PHE A 127 13.476 3.076 -4.548 1.00 0.00 C ATOM 945 CD1 PHE A 127 13.488 3.071 -3.163 1.00 0.00 C ATOM 946 CD2 PHE A 127 13.994 1.982 -5.223 1.00 0.00 C ATOM 947 CE1 PHE A 127 14.006 1.997 -2.465 1.00 0.00 C ATOM 948 CE2 PHE A 127 14.514 0.905 -4.530 1.00 0.00 C ATOM 949 CZ PHE A 127 14.519 0.912 -3.149 1.00 0.00 C ATOM 0 H PHE A 127 10.834 2.998 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 127 12.001 5.244 -3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.623 3.916 -6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.693 4.996 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.088 3.916 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.991 1.971 -6.303 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.010 2.006 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.916 0.059 -5.068 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.923 0.071 -2.605 1.00 0.00 H new ATOM 959 N ASN A 128 10.488 5.802 -6.510 1.00 0.00 N ATOM 960 CA ASN A 128 9.965 6.852 -7.377 1.00 0.00 C ATOM 961 C ASN A 128 8.441 6.891 -7.325 1.00 0.00 C ATOM 962 O ASN A 128 7.798 5.929 -6.904 1.00 0.00 O ATOM 963 CB ASN A 128 10.433 6.633 -8.817 1.00 0.00 C ATOM 964 CG ASN A 128 11.940 6.507 -8.923 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.469 5.417 -9.145 1.00 0.00 O ATOM 966 ND2 ASN A 128 12.640 7.624 -8.765 1.00 0.00 N ATOM 0 H ASN A 128 10.242 4.855 -6.799 1.00 0.00 H new ATOM 0 HA ASN A 128 10.347 7.808 -7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.967 5.731 -9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 128 10.096 7.465 -9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 128 13.658 7.601 -8.826 1.00 0.00 H new ATOM 0 HD22 ASN A 128 12.160 8.505 -8.583 1.00 0.00 H new ATOM 973 N LYS A 129 7.869 8.010 -7.756 1.00 0.00 N ATOM 974 CA LYS A 129 6.420 8.176 -7.762 1.00 0.00 C ATOM 975 C LYS A 129 5.772 7.268 -8.803 1.00 0.00 C ATOM 976 O LYS A 129 4.979 6.390 -8.466 1.00 0.00 O ATOM 977 CB LYS A 129 6.054 9.635 -8.043 1.00 0.00 C ATOM 978 CG LYS A 129 4.558 9.893 -8.068 1.00 0.00 C ATOM 979 CD LYS A 129 4.005 10.103 -6.668 1.00 0.00 C ATOM 980 CE LYS A 129 2.608 10.703 -6.705 1.00 0.00 C ATOM 981 NZ LYS A 129 2.145 11.114 -5.351 1.00 0.00 N ATOM 0 H LYS A 129 8.387 8.816 -8.106 1.00 0.00 H new ATOM 0 HA LYS A 129 6.044 7.897 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.511 10.268 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.481 9.930 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.350 10.772 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.050 9.051 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.979 9.150 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.670 10.760 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.602 11.567 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.911 9.976 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.636 12.018 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.510 10.386 -4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.966 11.225 -4.722 1.00 0.00 H new ATOM 995 N TRP A 130 6.117 7.487 -10.067 1.00 0.00 N ATOM 996 CA TRP A 130 5.570 6.687 -11.157 1.00 0.00 C ATOM 997 C TRP A 130 5.326 5.250 -10.709 1.00 0.00 C ATOM 998 O TRP A 130 4.191 4.772 -10.714 1.00 0.00 O ATOM 999 CB TRP A 130 6.518 6.706 -12.357 1.00 0.00 C ATOM 1000 CG TRP A 130 7.466 7.867 -12.346 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.824 7.814 -12.214 1.00 0.00 C ATOM 1002 CD2 TRP A 130 7.127 9.252 -12.470 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.350 9.083 -12.248 1.00 0.00 N ATOM 1004 CE2 TRP A 130 8.329 9.983 -12.405 1.00 0.00 C ATOM 1005 CE3 TRP A 130 5.925 9.946 -12.631 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 8.362 11.372 -12.495 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 5.958 11.325 -12.720 1.00 0.00 C ATOM 1008 CH2 TRP A 130 7.170 12.026 -12.653 1.00 0.00 C ATOM 0 H TRP A 130 6.772 8.211 -10.362 1.00 0.00 H new ATOM 0 HA TRP A 130 4.615 7.123 -11.450 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.091 5.779 -12.373 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.931 6.734 -13.275 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.400 6.908 -12.100 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.340 9.317 -12.169 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.987 9.414 -12.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.295 11.914 -12.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 5.035 11.871 -12.843 1.00 0.00 H new ATOM 0 HH2 TRP A 130 7.163 13.103 -12.728 1.00 0.00 H new ATOM 1019 N ASP A 131 6.397 4.566 -10.322 1.00 0.00 N ATOM 1020 CA ASP A 131 6.299 3.183 -9.870 1.00 0.00 C ATOM 1021 C ASP A 131 5.021 2.964 -9.067 1.00 0.00 C ATOM 1022 O ASP A 131 4.200 2.112 -9.408 1.00 0.00 O ATOM 1023 CB ASP A 131 7.518 2.814 -9.023 1.00 0.00 C ATOM 1024 CG ASP A 131 8.729 2.472 -9.868 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.586 2.398 -11.107 1.00 0.00 O ATOM 1026 OD2 ASP A 131 9.820 2.281 -9.292 1.00 0.00 O ATOM 0 H ASP A 131 7.343 4.947 -10.312 1.00 0.00 H new ATOM 0 HA ASP A 131 6.269 2.540 -10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.763 3.646 -8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.271 1.964 -8.387 1.00 0.00 H new ATOM 1031 N ALA A 132 4.859 3.736 -7.998 1.00 0.00 N ATOM 1032 CA ALA A 132 3.681 3.627 -7.147 1.00 0.00 C ATOM 1033 C ALA A 132 2.404 3.879 -7.942 1.00 0.00 C ATOM 1034 O ALA A 132 1.551 3.000 -8.058 1.00 0.00 O ATOM 1035 CB ALA A 132 3.779 4.599 -5.981 1.00 0.00 C ATOM 0 H ALA A 132 5.530 4.445 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 132 3.640 2.611 -6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.892 4.506 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.666 4.371 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.849 5.618 -6.362 1.00 0.00 H new ATOM 1041 N GLU A 133 2.280 5.085 -8.487 1.00 0.00 N ATOM 1042 CA GLU A 133 1.106 5.452 -9.270 1.00 0.00 C ATOM 1043 C GLU A 133 0.656 4.291 -10.152 1.00 0.00 C ATOM 1044 O GLU A 133 -0.471 3.812 -10.039 1.00 0.00 O ATOM 1045 CB GLU A 133 1.405 6.679 -10.134 1.00 0.00 C ATOM 1046 CG GLU A 133 1.125 7.999 -9.435 1.00 0.00 C ATOM 1047 CD GLU A 133 -0.295 8.483 -9.650 1.00 0.00 C ATOM 1048 OE1 GLU A 133 -1.234 7.702 -9.389 1.00 0.00 O ATOM 1049 OE2 GLU A 133 -0.469 9.643 -10.080 1.00 0.00 O ATOM 0 H GLU A 133 2.978 5.824 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 133 0.299 5.693 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.452 6.653 -10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.808 6.626 -11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.308 7.886 -8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.821 8.754 -9.800 1.00 0.00 H new ATOM 1056 N ASN A 134 1.547 3.845 -11.032 1.00 0.00 N ATOM 1057 CA ASN A 134 1.242 2.742 -11.936 1.00 0.00 C ATOM 1058 C ASN A 134 0.466 1.645 -11.213 1.00 0.00 C ATOM 1059 O ASN A 134 -0.536 1.143 -11.720 1.00 0.00 O ATOM 1060 CB ASN A 134 2.532 2.166 -12.524 1.00 0.00 C ATOM 1061 CG ASN A 134 2.288 1.396 -13.808 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.328 1.661 -14.531 1.00 0.00 O ATOM 1063 ND2 ASN A 134 3.159 0.436 -14.096 1.00 0.00 N ATOM 0 H ASN A 134 2.485 4.230 -11.138 1.00 0.00 H new ATOM 0 HA ASN A 134 0.622 3.129 -12.745 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.234 2.977 -12.718 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.000 1.508 -11.792 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.047 -0.116 -14.946 1.00 0.00 H new ATOM 0 HD22 ASN A 134 3.941 0.251 -13.467 1.00 0.00 H new ATOM 1070 N ALA A 135 0.936 1.280 -10.025 1.00 0.00 N ATOM 1071 CA ALA A 135 0.286 0.246 -9.230 1.00 0.00 C ATOM 1072 C ALA A 135 -1.085 0.706 -8.746 1.00 0.00 C ATOM 1073 O ALA A 135 -2.085 0.012 -8.931 1.00 0.00 O ATOM 1074 CB ALA A 135 1.162 -0.143 -8.049 1.00 0.00 C ATOM 0 H ALA A 135 1.765 1.686 -9.592 1.00 0.00 H new ATOM 0 HA ALA A 135 0.144 -0.629 -9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.663 -0.916 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.116 -0.523 -8.413 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.335 0.731 -7.421 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.124 1.880 -8.124 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.372 2.433 -7.614 1.00 0.00 C ATOM 1082 C ILE A 136 -3.503 2.260 -8.622 1.00 0.00 C ATOM 1083 O ILE A 136 -4.653 2.039 -8.246 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.228 3.928 -7.272 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -1.209 4.120 -6.147 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.576 4.513 -6.879 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.846 5.568 -5.902 1.00 0.00 C ATOM 0 H ILE A 136 -0.305 2.466 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.612 1.882 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 136 -1.869 4.455 -8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.610 3.694 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.304 3.563 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.458 5.570 -6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.275 4.404 -7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -3.962 3.985 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -0.120 5.629 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.415 5.993 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.741 6.126 -5.629 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.166 2.361 -9.904 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.153 2.215 -10.967 1.00 0.00 C ATOM 1101 C GLN A 137 -4.297 0.753 -11.379 1.00 0.00 C ATOM 1102 O GLN A 137 -5.396 0.200 -11.364 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.760 3.063 -12.178 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.322 4.473 -11.817 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.410 5.086 -12.861 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -2.633 6.208 -13.315 1.00 0.00 O ATOM 1107 NE2 GLN A 137 -1.374 4.350 -13.247 1.00 0.00 N ATOM 0 H GLN A 137 -2.217 2.543 -10.231 1.00 0.00 H new ATOM 0 HA GLN A 137 -5.114 2.562 -10.587 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.950 2.566 -12.712 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.607 3.118 -12.862 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -4.203 5.103 -11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.807 4.455 -10.856 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -1.227 3.425 -12.844 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -0.725 4.710 -13.947 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.179 0.135 -11.747 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.182 -1.262 -12.164 1.00 0.00 C ATOM 1118 C GLN A 138 -3.522 -2.179 -10.994 1.00 0.00 C ATOM 1119 O GLN A 138 -4.517 -2.902 -11.028 1.00 0.00 O ATOM 1120 CB GLN A 138 -1.821 -1.644 -12.748 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.338 -0.698 -13.836 1.00 0.00 C ATOM 1122 CD GLN A 138 -1.794 -1.118 -15.219 1.00 0.00 C ATOM 1123 OE1 GLN A 138 -2.503 -0.379 -15.903 1.00 0.00 O ATOM 1124 NE2 GLN A 138 -1.388 -2.310 -15.640 1.00 0.00 N ATOM 0 H GLN A 138 -2.261 0.579 -11.765 1.00 0.00 H new ATOM 0 HA GLN A 138 -3.946 -1.384 -12.931 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.084 -1.667 -11.945 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -1.880 -2.653 -13.156 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -1.704 0.307 -13.627 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -0.249 -0.652 -13.815 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -0.801 -2.890 -15.040 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -1.663 -2.646 -16.563 1.00 0.00 H new ATOM 1133 N MET A 139 -2.688 -2.145 -9.960 1.00 0.00 N ATOM 1134 CA MET A 139 -2.901 -2.973 -8.779 1.00 0.00 C ATOM 1135 C MET A 139 -4.249 -2.664 -8.135 1.00 0.00 C ATOM 1136 O MET A 139 -4.838 -3.514 -7.468 1.00 0.00 O ATOM 1137 CB MET A 139 -1.776 -2.753 -7.765 1.00 0.00 C ATOM 1138 CG MET A 139 -0.438 -3.321 -8.211 1.00 0.00 C ATOM 1139 SD MET A 139 -0.538 -5.064 -8.661 1.00 0.00 S ATOM 1140 CE MET A 139 -1.504 -5.711 -7.299 1.00 0.00 C ATOM 0 H MET A 139 -1.859 -1.553 -9.916 1.00 0.00 H new ATOM 0 HA MET A 139 -2.898 -4.017 -9.093 1.00 0.00 H new ATOM 0 HB2 MET A 139 -1.665 -1.684 -7.583 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.058 -3.210 -6.817 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.072 -2.750 -9.064 1.00 0.00 H new ATOM 0 HG3 MET A 139 0.290 -3.198 -7.409 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.291 -6.773 -7.174 1.00 0.00 H new ATOM 0 HE2 MET A 139 -1.245 -5.178 -6.384 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.565 -5.576 -7.509 1.00 0.00 H new ATOM 1150 N GLY A 140 -4.732 -1.442 -8.338 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.006 -1.043 -7.770 1.00 0.00 C ATOM 1152 C GLY A 140 -7.168 -1.827 -8.347 1.00 0.00 C ATOM 1153 O GLY A 140 -7.484 -1.704 -9.529 1.00 0.00 O ATOM 0 H GLY A 140 -4.263 -0.721 -8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -5.978 -1.183 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.164 0.020 -7.950 1.00 0.00 H new ATOM 1157 N GLY A 141 -7.806 -2.639 -7.508 1.00 0.00 N ATOM 1158 CA GLY A 141 -8.932 -3.436 -7.960 1.00 0.00 C ATOM 1159 C GLY A 141 -8.507 -4.788 -8.497 1.00 0.00 C ATOM 1160 O GLY A 141 -9.262 -5.442 -9.216 1.00 0.00 O ATOM 0 H GLY A 141 -7.563 -2.759 -6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.627 -3.579 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.469 -2.892 -8.737 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.294 -5.206 -8.149 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.769 -6.488 -8.604 1.00 0.00 C ATOM 1166 C GLN A 142 -6.960 -7.563 -7.539 1.00 0.00 C ATOM 1167 O GLN A 142 -7.348 -7.268 -6.408 1.00 0.00 O ATOM 1168 CB GLN A 142 -5.286 -6.360 -8.956 1.00 0.00 C ATOM 1169 CG GLN A 142 -5.027 -5.539 -10.209 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.445 -6.259 -11.475 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -5.092 -7.419 -11.690 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -6.202 -5.573 -12.324 1.00 0.00 N ATOM 0 H GLN A 142 -6.657 -4.676 -7.554 1.00 0.00 H new ATOM 0 HA GLN A 142 -7.322 -6.783 -9.496 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.760 -5.904 -8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.866 -7.357 -9.091 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.566 -4.595 -10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -3.966 -5.297 -10.267 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -6.472 -4.614 -12.106 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -6.514 -6.006 -13.194 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.686 -8.809 -7.908 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.828 -9.928 -6.983 1.00 0.00 C ATOM 1183 C TRP A 143 -5.467 -10.397 -6.482 1.00 0.00 C ATOM 1184 O TRP A 143 -4.677 -10.963 -7.240 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.563 -11.086 -7.661 1.00 0.00 C ATOM 1186 CG TRP A 143 -9.053 -10.924 -7.664 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.770 -9.951 -8.299 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -10.007 -11.760 -6.999 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -11.113 -10.131 -8.069 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.284 -11.234 -7.275 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -9.906 -12.901 -6.199 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.449 -11.811 -6.777 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.064 -13.473 -5.706 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.322 -12.928 -5.997 1.00 0.00 C ATOM 0 H TRP A 143 -6.365 -9.070 -8.840 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.411 -9.588 -6.127 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -7.213 -11.177 -8.689 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.307 -12.016 -7.154 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -9.344 -9.157 -8.894 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.861 -9.539 -8.431 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -8.941 -13.328 -5.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.419 -11.392 -6.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -10.998 -14.355 -5.086 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.208 -13.399 -5.598 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.198 -10.160 -5.203 1.00 0.00 N ATOM 1206 CA LEU A 144 -3.930 -10.559 -4.601 1.00 0.00 C ATOM 1207 C LEU A 144 -4.103 -11.811 -3.747 1.00 0.00 C ATOM 1208 O LEU A 144 -4.986 -11.874 -2.893 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.367 -9.420 -3.749 1.00 0.00 C ATOM 1210 CG LEU A 144 -2.087 -9.732 -2.974 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -0.965 -10.115 -3.926 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.679 -8.542 -2.118 1.00 0.00 C ATOM 0 H LEU A 144 -5.841 -9.694 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.229 -10.784 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.175 -8.567 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.133 -9.112 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.282 -10.579 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.062 -10.333 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.257 -10.997 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.771 -9.289 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.766 -8.782 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.504 -7.677 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.475 -8.314 -1.409 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.252 -12.804 -3.983 1.00 0.00 N ATOM 1225 CA GLY A 145 -3.326 -14.040 -3.226 1.00 0.00 C ATOM 1226 C GLY A 145 -4.588 -14.826 -3.521 1.00 0.00 C ATOM 1227 O GLY A 145 -4.549 -15.840 -4.217 1.00 0.00 O ATOM 0 H GLY A 145 -2.512 -12.775 -4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.456 -14.656 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.284 -13.813 -2.161 1.00 0.00 H new ATOM 1231 N GLY A 146 -5.713 -14.358 -2.989 1.00 0.00 N ATOM 1232 CA GLY A 146 -6.977 -15.037 -3.208 1.00 0.00 C ATOM 1233 C GLY A 146 -8.170 -14.129 -2.984 1.00 0.00 C ATOM 1234 O GLY A 146 -9.291 -14.602 -2.798 1.00 0.00 O ATOM 0 H GLY A 146 -5.772 -13.520 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.006 -15.425 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.046 -15.894 -2.538 1.00 0.00 H new ATOM 1238 N ARG A 147 -7.928 -12.823 -2.998 1.00 0.00 N ATOM 1239 CA ARG A 147 -8.991 -11.847 -2.791 1.00 0.00 C ATOM 1240 C ARG A 147 -8.618 -10.498 -3.400 1.00 0.00 C ATOM 1241 O ARG A 147 -7.439 -10.186 -3.564 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.277 -11.682 -1.297 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.259 -12.705 -0.749 1.00 0.00 C ATOM 1244 CD ARG A 147 -10.589 -12.433 0.711 1.00 0.00 C ATOM 1245 NE ARG A 147 -11.813 -13.110 1.131 1.00 0.00 N ATOM 1246 CZ ARG A 147 -12.343 -12.986 2.342 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -11.759 -12.215 3.249 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -13.459 -13.635 2.649 1.00 0.00 N ATOM 0 H ARG A 147 -7.005 -12.416 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 147 -9.889 -12.215 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.340 -11.759 -0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.671 -10.681 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.175 -12.685 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -9.837 -13.705 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -9.760 -12.762 1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -10.698 -11.359 0.864 1.00 0.00 H new ATOM 0 HE ARG A 147 -12.287 -13.711 0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -10.901 -11.715 3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -12.168 -12.121 4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -13.911 -14.230 1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -13.865 -13.539 3.580 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.630 -9.705 -3.733 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.408 -8.391 -4.325 1.00 0.00 C ATOM 1264 C GLN A 148 -8.601 -7.500 -3.386 1.00 0.00 C ATOM 1265 O GLN A 148 -8.376 -7.848 -2.227 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.744 -7.724 -4.657 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.248 -8.035 -6.057 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.378 -7.120 -6.487 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.440 -7.091 -5.864 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -12.155 -6.367 -7.557 1.00 0.00 N ATOM 0 H GLN A 148 -10.612 -9.949 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 148 -8.840 -8.527 -5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.491 -8.045 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.638 -6.644 -4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.423 -7.945 -6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.589 -9.070 -6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -11.260 -6.423 -8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -12.879 -5.732 -7.894 1.00 0.00 H new ATOM 1279 N ILE A 149 -8.168 -6.352 -3.895 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.386 -5.412 -3.101 1.00 0.00 C ATOM 1281 C ILE A 149 -7.692 -3.971 -3.497 1.00 0.00 C ATOM 1282 O ILE A 149 -8.030 -3.691 -4.647 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.875 -5.665 -3.254 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.426 -5.356 -4.684 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.539 -7.103 -2.887 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.938 -5.116 -4.812 1.00 0.00 C ATOM 0 H ILE A 149 -8.345 -6.050 -4.853 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.668 -5.568 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.340 -5.002 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.709 -6.185 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -5.960 -4.475 -5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.467 -7.266 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.828 -7.292 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -6.081 -7.783 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.692 -4.903 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.651 -4.268 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.397 -6.004 -4.486 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.568 -3.060 -2.537 1.00 0.00 N ATOM 1299 CA ARG A 150 -7.830 -1.648 -2.786 1.00 0.00 C ATOM 1300 C ARG A 150 -6.551 -0.826 -2.653 1.00 0.00 C ATOM 1301 O ARG A 150 -5.903 -0.829 -1.605 1.00 0.00 O ATOM 1302 CB ARG A 150 -8.888 -1.125 -1.813 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.321 -0.692 -0.471 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.421 -0.251 0.482 1.00 0.00 C ATOM 1305 NE ARG A 150 -10.427 -1.292 0.677 1.00 0.00 N ATOM 1306 CZ ARG A 150 -11.667 -1.048 1.084 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -12.053 0.194 1.338 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -12.525 -2.049 1.237 1.00 0.00 N ATOM 0 H ARG A 150 -7.288 -3.275 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.202 -1.547 -3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -9.403 -0.280 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -9.634 -1.902 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -7.763 -1.516 -0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -7.617 0.127 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -8.982 0.014 1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -9.900 0.647 0.092 1.00 0.00 H new ATOM 0 HE ARG A 150 -10.162 -2.259 0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -11.397 0.966 1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -13.006 0.378 1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -12.232 -3.006 1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -13.477 -1.861 1.550 1.00 0.00 H new ATOM 1322 N THR A 151 -6.191 -0.123 -3.722 1.00 0.00 N ATOM 1323 CA THR A 151 -4.990 0.702 -3.726 1.00 0.00 C ATOM 1324 C THR A 151 -5.340 2.183 -3.806 1.00 0.00 C ATOM 1325 O THR A 151 -6.095 2.606 -4.680 1.00 0.00 O ATOM 1326 CB THR A 151 -4.064 0.341 -4.904 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.721 0.619 -6.146 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.669 -1.127 -4.850 1.00 0.00 C ATOM 0 H THR A 151 -6.715 -0.109 -4.597 1.00 0.00 H new ATOM 0 HA THR A 151 -4.469 0.505 -2.789 1.00 0.00 H new ATOM 0 HB THR A 151 -3.161 0.947 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 151 -5.449 1.258 -5.995 1.00 0.00 H new ATOM 0 HG21 THR A 151 -3.016 -1.359 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.144 -1.328 -3.916 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.564 -1.747 -4.904 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.786 2.968 -2.887 1.00 0.00 N ATOM 1337 CA ASN A 152 -5.040 4.404 -2.854 1.00 0.00 C ATOM 1338 C ASN A 152 -3.853 5.153 -2.256 1.00 0.00 C ATOM 1339 O ASN A 152 -2.926 4.543 -1.723 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.305 4.700 -2.046 1.00 0.00 C ATOM 1341 CG ASN A 152 -6.983 5.984 -2.483 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -6.581 6.608 -3.465 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -8.017 6.385 -1.753 1.00 0.00 N ATOM 0 H ASN A 152 -4.159 2.634 -2.156 1.00 0.00 H new ATOM 0 HA ASN A 152 -5.183 4.747 -3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -7.003 3.870 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -6.050 4.769 -0.989 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -8.513 7.242 -1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -8.316 5.836 -0.947 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.889 6.477 -2.348 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.817 7.310 -1.815 1.00 0.00 C ATOM 1352 C TRP A 153 -2.803 7.270 -0.291 1.00 0.00 C ATOM 1353 O TRP A 153 -3.691 7.817 0.361 1.00 0.00 O ATOM 1354 CB TRP A 153 -2.976 8.752 -2.299 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.457 8.974 -3.687 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -3.118 9.569 -4.724 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -1.169 8.602 -4.191 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -2.319 9.589 -5.841 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -1.118 9.003 -5.540 1.00 0.00 C ATOM 1360 CE3 TRP A 153 -0.054 7.971 -3.633 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.004 8.791 -6.337 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.058 7.761 -4.425 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.081 8.171 -5.765 1.00 0.00 C ATOM 0 H TRP A 153 -4.649 6.997 -2.787 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.868 6.915 -2.178 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -4.031 9.025 -2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.453 9.418 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -4.121 9.965 -4.673 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.578 9.977 -6.748 1.00 0.00 H new ATOM 0 HE3 TRP A 153 -0.062 7.653 -2.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.023 9.105 -7.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 1.925 7.273 -4.004 1.00 0.00 H new ATOM 0 HH2 TRP A 153 1.966 7.994 -6.358 1.00 0.00 H new