USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 763 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 51 CYS SG : rot 79:sc= -1.1 USER MOD Set 1.2: A 60 THR OG1 : rot -120:sc= -0.0159 USER MOD Single : A 12 SER OG : rot -59:sc= 0.0661 USER MOD Single : A 14 TYR OH : rot -12:sc= 0.328 USER MOD Single : A 15 HIS : no HD1:sc= -1.88 X(o=-1.9,f=-1.9) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -120:sc= -0.0812 USER MOD Single : A 41 SER OG : rot -160:sc= -0.0909 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.064 K(o=-0.064,f=-0.58) USER MOD Single : A 59 HIS : no HD1:sc= -0.0886 X(o=-0.089,f=0.0037) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00353 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 CYS SG : rot 42:sc= -0.306 USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -2.465 -3.197 -12.556 1.00 0.00 N ATOM 182 CA SER A 12 -2.287 -4.513 -11.895 1.00 0.00 C ATOM 183 C SER A 12 -1.587 -4.353 -10.517 1.00 0.00 C ATOM 184 O SER A 12 -0.518 -4.909 -10.299 1.00 0.00 O ATOM 185 CB SER A 12 -1.479 -5.430 -12.851 1.00 0.00 C ATOM 186 OG SER A 12 -1.396 -6.767 -12.372 1.00 0.00 O ATOM 0 HA SER A 12 -3.257 -4.968 -11.696 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.947 -5.427 -13.836 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.474 -5.027 -12.974 1.00 0.00 H new ATOM 0 HG SER A 12 -0.971 -6.772 -11.489 1.00 0.00 H new ATOM 192 N TRP A 13 -2.208 -3.505 -9.657 1.00 0.00 N ATOM 193 CA TRP A 13 -1.785 -3.096 -8.286 1.00 0.00 C ATOM 194 C TRP A 13 -0.560 -2.162 -8.344 1.00 0.00 C ATOM 195 O TRP A 13 -0.603 -1.062 -7.802 1.00 0.00 O ATOM 196 CB TRP A 13 -1.662 -4.238 -7.193 1.00 0.00 C ATOM 197 CG TRP A 13 -0.567 -5.294 -7.327 1.00 0.00 C ATOM 198 CD1 TRP A 13 -0.726 -6.582 -7.771 1.00 0.00 C ATOM 199 CD2 TRP A 13 0.830 -5.182 -6.954 1.00 0.00 C ATOM 200 NE1 TRP A 13 0.472 -7.251 -7.744 1.00 0.00 N ATOM 201 CE2 TRP A 13 1.442 -6.416 -7.251 1.00 0.00 C ATOM 202 CE3 TRP A 13 1.623 -4.159 -6.425 1.00 0.00 C ATOM 203 CZ2 TRP A 13 2.797 -6.651 -7.040 1.00 0.00 C ATOM 204 CZ3 TRP A 13 2.970 -4.394 -6.217 1.00 0.00 C ATOM 205 CH2 TRP A 13 3.546 -5.630 -6.524 1.00 0.00 C ATOM 0 H TRP A 13 -3.084 -3.054 -9.921 1.00 0.00 H new ATOM 0 HA TRP A 13 -2.636 -2.535 -7.900 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.530 -3.752 -6.226 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.618 -4.761 -7.159 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.663 -7.010 -8.096 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.618 -8.215 -8.043 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.190 -3.200 -6.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.242 -7.607 -7.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.588 -3.608 -5.810 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.601 -5.781 -6.351 1.00 0.00 H new ATOM 216 N TYR A 14 0.523 -2.588 -9.004 1.00 0.00 N ATOM 217 CA TYR A 14 1.695 -1.735 -9.237 1.00 0.00 C ATOM 218 C TYR A 14 1.383 -0.739 -10.364 1.00 0.00 C ATOM 219 O TYR A 14 0.989 -1.145 -11.456 1.00 0.00 O ATOM 220 CB TYR A 14 2.950 -2.575 -9.588 1.00 0.00 C ATOM 221 CG TYR A 14 4.204 -1.714 -9.854 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.845 -1.038 -8.811 1.00 0.00 C ATOM 223 CD2 TYR A 14 4.726 -1.551 -11.143 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.953 -0.246 -9.045 1.00 0.00 C ATOM 225 CE2 TYR A 14 5.831 -0.754 -11.376 1.00 0.00 C ATOM 226 CZ TYR A 14 6.442 -0.107 -10.325 1.00 0.00 C ATOM 227 OH TYR A 14 7.545 0.684 -10.554 1.00 0.00 O ATOM 0 H TYR A 14 0.612 -3.528 -9.390 1.00 0.00 H new ATOM 0 HA TYR A 14 1.915 -1.191 -8.318 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.158 -3.265 -8.770 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.739 -3.180 -10.470 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.467 -1.137 -7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.256 -2.058 -11.972 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.435 0.264 -8.224 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.214 -0.639 -12.379 1.00 0.00 H new ATOM 0 HH TYR A 14 7.737 1.217 -9.754 1.00 0.00 H new ATOM 237 N HIS A 15 1.530 0.559 -10.080 1.00 0.00 N ATOM 238 CA HIS A 15 1.305 1.640 -11.050 1.00 0.00 C ATOM 239 C HIS A 15 2.613 2.366 -11.367 1.00 0.00 C ATOM 240 O HIS A 15 3.648 2.129 -10.730 1.00 0.00 O ATOM 241 CB HIS A 15 0.274 2.649 -10.471 1.00 0.00 C ATOM 242 CG HIS A 15 -1.067 2.040 -10.168 1.00 0.00 C ATOM 243 ND1 HIS A 15 -2.059 1.874 -11.106 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.574 1.566 -9.019 1.00 0.00 C ATOM 245 CE1 HIS A 15 -3.111 1.330 -10.541 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.844 1.130 -9.273 1.00 0.00 N ATOM 0 H HIS A 15 1.812 0.895 -9.159 1.00 0.00 H new ATOM 0 HA HIS A 15 0.919 1.206 -11.972 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.679 3.085 -9.558 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.140 3.465 -11.181 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.069 1.535 -8.065 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.040 1.088 -11.037 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.479 0.717 -8.590 1.00 0.00 H new ATOM 255 N ARG A 16 2.531 3.254 -12.368 1.00 0.00 N ATOM 256 CA ARG A 16 3.595 4.217 -12.705 1.00 0.00 C ATOM 257 C ARG A 16 3.477 5.437 -11.755 1.00 0.00 C ATOM 258 O ARG A 16 3.038 5.277 -10.603 1.00 0.00 O ATOM 259 CB ARG A 16 3.440 4.622 -14.193 1.00 0.00 C ATOM 260 CG ARG A 16 3.448 3.433 -15.174 1.00 0.00 C ATOM 261 CD ARG A 16 3.285 3.882 -16.626 1.00 0.00 C ATOM 262 NE ARG A 16 3.267 2.752 -17.556 1.00 0.00 N ATOM 263 CZ ARG A 16 3.175 2.867 -18.881 1.00 0.00 C ATOM 264 NH1 ARG A 16 3.116 4.060 -19.460 1.00 0.00 N ATOM 265 NH2 ARG A 16 3.150 1.782 -19.625 1.00 0.00 N ATOM 0 H ARG A 16 1.715 3.326 -12.975 1.00 0.00 H new ATOM 0 HA ARG A 16 4.586 3.781 -12.574 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.507 5.172 -14.313 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.248 5.304 -14.459 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.383 2.883 -15.068 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.643 2.745 -14.915 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.359 4.448 -16.727 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.101 4.555 -16.890 1.00 0.00 H new ATOM 0 HE ARG A 16 3.329 1.813 -17.164 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.141 4.905 -18.890 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.046 4.131 -20.475 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.201 0.862 -19.187 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.080 1.861 -20.640 1.00 0.00 H new ATOM 279 N ASP A 17 3.846 6.648 -12.226 1.00 0.00 N ATOM 280 CA ASP A 17 3.696 7.884 -11.445 1.00 0.00 C ATOM 281 C ASP A 17 2.190 8.185 -11.199 1.00 0.00 C ATOM 282 O ASP A 17 1.440 8.538 -12.113 1.00 0.00 O ATOM 283 CB ASP A 17 4.426 9.063 -12.151 1.00 0.00 C ATOM 284 CG ASP A 17 3.860 9.433 -13.540 1.00 0.00 C ATOM 285 OD1 ASP A 17 4.080 8.672 -14.512 1.00 0.00 O ATOM 286 OD2 ASP A 17 3.166 10.468 -13.663 1.00 0.00 O ATOM 0 H ASP A 17 4.252 6.791 -13.151 1.00 0.00 H new ATOM 0 HA ASP A 17 4.164 7.754 -10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.376 9.941 -11.507 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.480 8.807 -12.259 1.00 0.00 H new ATOM 291 N LEU A 18 1.747 7.957 -9.957 1.00 0.00 N ATOM 292 CA LEU A 18 0.352 8.154 -9.534 1.00 0.00 C ATOM 293 C LEU A 18 0.356 8.866 -8.170 1.00 0.00 C ATOM 294 O LEU A 18 1.191 8.547 -7.309 1.00 0.00 O ATOM 295 CB LEU A 18 -0.359 6.769 -9.454 1.00 0.00 C ATOM 296 CG LEU A 18 -1.907 6.777 -9.267 1.00 0.00 C ATOM 297 CD1 LEU A 18 -2.615 7.339 -10.520 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.435 5.363 -8.911 1.00 0.00 C ATOM 0 H LEU A 18 2.354 7.626 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.193 8.770 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.131 6.218 -10.366 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.079 6.211 -8.627 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.138 7.437 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.693 7.333 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.280 8.361 -10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.371 6.720 -11.384 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.517 5.399 -8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.185 4.669 -9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.974 5.026 -7.983 1.00 0.00 H new ATOM 310 N SER A 19 -0.546 9.841 -7.981 1.00 0.00 N ATOM 311 CA SER A 19 -0.673 10.599 -6.717 1.00 0.00 C ATOM 312 C SER A 19 -1.780 9.986 -5.837 1.00 0.00 C ATOM 313 O SER A 19 -2.488 9.083 -6.280 1.00 0.00 O ATOM 314 CB SER A 19 -0.969 12.074 -7.034 1.00 0.00 C ATOM 315 OG SER A 19 -2.120 12.194 -7.852 1.00 0.00 O ATOM 0 H SER A 19 -1.211 10.130 -8.698 1.00 0.00 H new ATOM 0 HA SER A 19 0.263 10.543 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.118 12.627 -6.106 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.112 12.521 -7.537 1.00 0.00 H new ATOM 0 HG SER A 19 -2.291 13.141 -8.040 1.00 0.00 H new ATOM 321 N ARG A 20 -1.906 10.472 -4.585 1.00 0.00 N ATOM 322 CA ARG A 20 -2.870 9.936 -3.593 1.00 0.00 C ATOM 323 C ARG A 20 -4.335 10.120 -4.033 1.00 0.00 C ATOM 324 O ARG A 20 -5.101 9.165 -4.015 1.00 0.00 O ATOM 325 CB ARG A 20 -2.646 10.592 -2.209 1.00 0.00 C ATOM 326 CG ARG A 20 -3.503 9.986 -1.072 1.00 0.00 C ATOM 327 CD ARG A 20 -3.385 10.761 0.244 1.00 0.00 C ATOM 328 NE ARG A 20 -1.998 10.825 0.738 1.00 0.00 N ATOM 329 CZ ARG A 20 -1.434 11.892 1.319 1.00 0.00 C ATOM 330 NH1 ARG A 20 -2.105 13.028 1.461 1.00 0.00 N ATOM 331 NH2 ARG A 20 -0.186 11.822 1.735 1.00 0.00 N ATOM 0 H ARG A 20 -1.345 11.246 -4.230 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.685 8.864 -3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.593 10.501 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.865 11.657 -2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.547 9.966 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.199 8.952 -0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.764 11.773 0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.015 10.289 0.998 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.422 9.990 0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.066 13.098 1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.660 13.831 1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.344 10.959 1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.250 12.631 2.178 1.00 0.00 H new ATOM 345 N ALA A 21 -4.707 11.355 -4.402 1.00 0.00 N ATOM 346 CA ALA A 21 -6.082 11.681 -4.850 1.00 0.00 C ATOM 347 C ALA A 21 -6.448 10.913 -6.130 1.00 0.00 C ATOM 348 O ALA A 21 -7.596 10.488 -6.299 1.00 0.00 O ATOM 349 CB ALA A 21 -6.249 13.195 -5.040 1.00 0.00 C ATOM 0 H ALA A 21 -4.074 12.155 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.774 11.363 -4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.266 13.410 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.058 13.704 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.542 13.548 -5.791 1.00 0.00 H new ATOM 355 N ALA A 22 -5.454 10.732 -7.009 1.00 0.00 N ATOM 356 CA ALA A 22 -5.593 9.929 -8.235 1.00 0.00 C ATOM 357 C ALA A 22 -5.770 8.433 -7.902 1.00 0.00 C ATOM 358 O ALA A 22 -6.543 7.724 -8.564 1.00 0.00 O ATOM 359 CB ALA A 22 -4.380 10.148 -9.147 1.00 0.00 C ATOM 0 H ALA A 22 -4.526 11.139 -6.891 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.489 10.256 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.492 9.550 -10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.312 11.202 -9.415 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.472 9.848 -8.624 1.00 0.00 H new ATOM 365 N ALA A 23 -5.056 7.976 -6.858 1.00 0.00 N ATOM 366 CA ALA A 23 -5.093 6.579 -6.387 1.00 0.00 C ATOM 367 C ALA A 23 -6.453 6.224 -5.769 1.00 0.00 C ATOM 368 O ALA A 23 -7.080 5.269 -6.195 1.00 0.00 O ATOM 369 CB ALA A 23 -3.961 6.321 -5.376 1.00 0.00 C ATOM 0 H ALA A 23 -4.432 8.570 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.946 5.936 -7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.003 5.285 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.998 6.509 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.079 6.986 -4.520 1.00 0.00 H new ATOM 375 N GLU A 24 -6.887 7.009 -4.763 1.00 0.00 N ATOM 376 CA GLU A 24 -8.154 6.784 -4.021 1.00 0.00 C ATOM 377 C GLU A 24 -9.398 6.979 -4.911 1.00 0.00 C ATOM 378 O GLU A 24 -10.451 6.403 -4.632 1.00 0.00 O ATOM 379 CB GLU A 24 -8.228 7.709 -2.775 1.00 0.00 C ATOM 380 CG GLU A 24 -8.347 9.215 -3.085 1.00 0.00 C ATOM 381 CD GLU A 24 -8.226 10.112 -1.838 1.00 0.00 C ATOM 382 OE1 GLU A 24 -9.231 10.287 -1.112 1.00 0.00 O ATOM 383 OE2 GLU A 24 -7.127 10.645 -1.575 1.00 0.00 O ATOM 0 H GLU A 24 -6.368 7.824 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.152 5.744 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.084 7.410 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.337 7.548 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.572 9.493 -3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.306 9.404 -3.567 1.00 0.00 H new ATOM 390 N GLU A 25 -9.268 7.805 -5.967 1.00 0.00 N ATOM 391 CA GLU A 25 -10.319 7.966 -6.998 1.00 0.00 C ATOM 392 C GLU A 25 -10.476 6.620 -7.733 1.00 0.00 C ATOM 393 O GLU A 25 -11.580 6.067 -7.839 1.00 0.00 O ATOM 394 CB GLU A 25 -9.923 9.122 -7.981 1.00 0.00 C ATOM 395 CG GLU A 25 -11.087 9.819 -8.728 1.00 0.00 C ATOM 396 CD GLU A 25 -11.852 8.926 -9.722 1.00 0.00 C ATOM 397 OE1 GLU A 25 -11.219 8.422 -10.672 1.00 0.00 O ATOM 398 OE2 GLU A 25 -13.085 8.733 -9.564 1.00 0.00 O ATOM 0 H GLU A 25 -8.439 8.377 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.273 8.237 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.377 9.878 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.234 8.719 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.792 10.203 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.689 10.679 -9.267 1.00 0.00 H new ATOM 405 N LEU A 26 -9.324 6.104 -8.184 1.00 0.00 N ATOM 406 CA LEU A 26 -9.219 4.819 -8.882 1.00 0.00 C ATOM 407 C LEU A 26 -9.692 3.638 -7.997 1.00 0.00 C ATOM 408 O LEU A 26 -10.374 2.745 -8.486 1.00 0.00 O ATOM 409 CB LEU A 26 -7.760 4.612 -9.371 1.00 0.00 C ATOM 410 CG LEU A 26 -7.505 3.402 -10.324 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.419 3.463 -11.571 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.014 3.325 -10.722 1.00 0.00 C ATOM 0 H LEU A 26 -8.427 6.576 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.883 4.841 -9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.440 5.520 -9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.121 4.496 -8.496 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.757 2.490 -9.783 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.216 2.606 -12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.463 3.443 -11.258 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.223 4.383 -12.121 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.858 2.475 -11.386 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.726 4.243 -11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.404 3.203 -9.827 1.00 0.00 H new ATOM 424 N LEU A 27 -9.347 3.660 -6.694 1.00 0.00 N ATOM 425 CA LEU A 27 -9.749 2.617 -5.718 1.00 0.00 C ATOM 426 C LEU A 27 -11.280 2.609 -5.536 1.00 0.00 C ATOM 427 O LEU A 27 -11.924 1.578 -5.704 1.00 0.00 O ATOM 428 CB LEU A 27 -9.065 2.855 -4.331 1.00 0.00 C ATOM 429 CG LEU A 27 -7.511 2.707 -4.281 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.945 3.125 -2.907 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.063 1.278 -4.651 1.00 0.00 C ATOM 0 H LEU A 27 -8.780 4.402 -6.284 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.426 1.653 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.322 3.859 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.497 2.156 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.102 3.386 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.861 3.009 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.198 4.167 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.376 2.495 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.976 1.214 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.498 0.567 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.398 1.042 -5.661 1.00 0.00 H new ATOM 443 N ALA A 28 -11.835 3.798 -5.241 1.00 0.00 N ATOM 444 CA ALA A 28 -13.258 3.975 -4.866 1.00 0.00 C ATOM 445 C ALA A 28 -14.224 3.581 -6.004 1.00 0.00 C ATOM 446 O ALA A 28 -15.331 3.098 -5.742 1.00 0.00 O ATOM 447 CB ALA A 28 -13.513 5.425 -4.421 1.00 0.00 C ATOM 0 H ALA A 28 -11.309 4.672 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.458 3.300 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.562 5.543 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.886 5.657 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.273 6.104 -5.239 1.00 0.00 H new ATOM 453 N ARG A 29 -13.805 3.812 -7.263 1.00 0.00 N ATOM 454 CA ARG A 29 -14.623 3.454 -8.437 1.00 0.00 C ATOM 455 C ARG A 29 -14.360 2.000 -8.884 1.00 0.00 C ATOM 456 O ARG A 29 -15.291 1.189 -8.928 1.00 0.00 O ATOM 457 CB ARG A 29 -14.375 4.429 -9.620 1.00 0.00 C ATOM 458 CG ARG A 29 -15.274 4.155 -10.853 1.00 0.00 C ATOM 459 CD ARG A 29 -15.045 5.141 -12.005 1.00 0.00 C ATOM 460 NE ARG A 29 -15.887 4.808 -13.167 1.00 0.00 N ATOM 461 CZ ARG A 29 -16.170 5.620 -14.190 1.00 0.00 C ATOM 462 NH1 ARG A 29 -15.707 6.866 -14.227 1.00 0.00 N ATOM 463 NH2 ARG A 29 -16.927 5.174 -15.172 1.00 0.00 N ATOM 0 H ARG A 29 -12.909 4.243 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.667 3.538 -8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.543 5.450 -9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.330 4.362 -9.922 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.090 3.142 -11.210 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.320 4.200 -10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.268 6.154 -11.670 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.995 5.125 -12.297 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.291 3.872 -13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.125 7.217 -13.466 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.934 7.471 -15.016 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.288 4.221 -15.145 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.152 5.782 -15.959 1.00 0.00 H new ATOM 477 N ALA A 30 -13.084 1.688 -9.200 1.00 0.00 N ATOM 478 CA ALA A 30 -12.698 0.410 -9.842 1.00 0.00 C ATOM 479 C ALA A 30 -12.902 -0.795 -8.912 1.00 0.00 C ATOM 480 O ALA A 30 -13.660 -1.717 -9.238 1.00 0.00 O ATOM 481 CB ALA A 30 -11.241 0.467 -10.324 1.00 0.00 C ATOM 0 H ALA A 30 -12.296 2.310 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.356 0.274 -10.701 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.976 -0.481 -10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.129 1.274 -11.048 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.583 0.648 -9.474 1.00 0.00 H new ATOM 487 N GLY A 31 -12.224 -0.783 -7.754 1.00 0.00 N ATOM 488 CA GLY A 31 -12.330 -1.852 -6.767 1.00 0.00 C ATOM 489 C GLY A 31 -12.767 -1.300 -5.431 1.00 0.00 C ATOM 490 O GLY A 31 -11.949 -1.121 -4.525 1.00 0.00 O ATOM 0 H GLY A 31 -11.590 -0.031 -7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.045 -2.600 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.368 -2.354 -6.662 1.00 0.00 H new ATOM 494 N ARG A 32 -14.068 -1.002 -5.317 1.00 0.00 N ATOM 495 CA ARG A 32 -14.617 -0.286 -4.158 1.00 0.00 C ATOM 496 C ARG A 32 -14.612 -1.204 -2.920 1.00 0.00 C ATOM 497 O ARG A 32 -15.403 -2.155 -2.875 1.00 0.00 O ATOM 498 CB ARG A 32 -16.069 0.216 -4.423 1.00 0.00 C ATOM 499 CG ARG A 32 -16.633 1.095 -3.277 1.00 0.00 C ATOM 500 CD ARG A 32 -18.134 1.391 -3.410 1.00 0.00 C ATOM 501 NE ARG A 32 -18.591 2.352 -2.388 1.00 0.00 N ATOM 502 CZ ARG A 32 -19.865 2.704 -2.172 1.00 0.00 C ATOM 503 NH1 ARG A 32 -20.866 2.085 -2.786 1.00 0.00 N ATOM 504 NH2 ARG A 32 -20.135 3.643 -1.289 1.00 0.00 N ATOM 0 H ARG A 32 -14.765 -1.248 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.984 0.583 -3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.085 0.787 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.723 -0.644 -4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.453 0.596 -2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.086 2.038 -3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.340 1.790 -4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.698 0.463 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.879 2.783 -1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.672 1.324 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.829 2.370 -2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.377 4.095 -0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.102 3.918 -1.117 1.00 0.00 H new ATOM 518 N ASP A 33 -13.626 -0.983 -2.014 1.00 0.00 N ATOM 519 CA ASP A 33 -13.595 -1.506 -0.622 1.00 0.00 C ATOM 520 C ASP A 33 -12.731 -2.777 -0.560 1.00 0.00 C ATOM 521 O ASP A 33 -13.037 -3.778 -1.211 1.00 0.00 O ATOM 522 CB ASP A 33 -15.010 -1.721 0.006 1.00 0.00 C ATOM 523 CG ASP A 33 -14.984 -2.298 1.430 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.531 -1.590 2.345 1.00 0.00 O ATOM 525 OD2 ASP A 33 -15.413 -3.463 1.639 1.00 0.00 O ATOM 0 H ASP A 33 -12.806 -0.419 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.137 -0.736 -0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.537 -0.767 0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.582 -2.391 -0.636 1.00 0.00 H new ATOM 530 N GLY A 34 -11.618 -2.696 0.198 1.00 0.00 N ATOM 531 CA GLY A 34 -10.663 -3.810 0.355 1.00 0.00 C ATOM 532 C GLY A 34 -9.523 -3.785 -0.663 1.00 0.00 C ATOM 533 O GLY A 34 -8.690 -4.705 -0.682 1.00 0.00 O ATOM 0 H GLY A 34 -11.357 -1.858 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.242 -3.778 1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.200 -4.754 0.264 1.00 0.00 H new ATOM 537 N SER A 35 -9.482 -2.735 -1.506 1.00 0.00 N ATOM 538 CA SER A 35 -8.452 -2.571 -2.551 1.00 0.00 C ATOM 539 C SER A 35 -7.123 -2.066 -1.961 1.00 0.00 C ATOM 540 O SER A 35 -7.096 -1.481 -0.881 1.00 0.00 O ATOM 541 CB SER A 35 -8.942 -1.597 -3.652 1.00 0.00 C ATOM 542 OG SER A 35 -9.629 -0.485 -3.093 1.00 0.00 O ATOM 0 H SER A 35 -10.163 -1.976 -1.482 1.00 0.00 H new ATOM 0 HA SER A 35 -8.277 -3.552 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.090 -1.245 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.602 -2.126 -4.340 1.00 0.00 H new ATOM 0 HG SER A 35 -10.548 -0.463 -3.434 1.00 0.00 H new ATOM 548 N PHE A 36 -6.031 -2.307 -2.707 1.00 0.00 N ATOM 549 CA PHE A 36 -4.693 -1.769 -2.414 1.00 0.00 C ATOM 550 C PHE A 36 -3.983 -1.497 -3.745 1.00 0.00 C ATOM 551 O PHE A 36 -4.334 -2.085 -4.778 1.00 0.00 O ATOM 552 CB PHE A 36 -3.845 -2.749 -1.535 1.00 0.00 C ATOM 553 CG PHE A 36 -3.212 -3.948 -2.271 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.929 -5.118 -2.494 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.891 -3.895 -2.742 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.359 -6.190 -3.159 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.324 -4.968 -3.404 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.059 -6.117 -3.615 1.00 0.00 C ATOM 0 H PHE A 36 -6.055 -2.890 -3.543 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.801 -0.848 -1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.047 -2.179 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.482 -3.133 -0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.948 -5.192 -2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.307 -3.000 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.935 -7.089 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.305 -4.907 -3.756 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.618 -6.955 -4.135 1.00 0.00 H new ATOM 568 N LEU A 37 -2.970 -0.629 -3.711 1.00 0.00 N ATOM 569 CA LEU A 37 -2.067 -0.428 -4.846 1.00 0.00 C ATOM 570 C LEU A 37 -0.708 0.076 -4.371 1.00 0.00 C ATOM 571 O LEU A 37 -0.581 0.578 -3.264 1.00 0.00 O ATOM 572 CB LEU A 37 -2.730 0.514 -5.912 1.00 0.00 C ATOM 573 CG LEU A 37 -3.167 1.964 -5.487 1.00 0.00 C ATOM 574 CD1 LEU A 37 -1.981 2.938 -5.333 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.208 2.543 -6.476 1.00 0.00 C ATOM 0 H LEU A 37 -2.753 -0.049 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.888 -1.385 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.032 0.612 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.613 0.004 -6.296 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.623 1.862 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.352 3.920 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.300 2.564 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.452 3.020 -6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.493 3.546 -6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.775 2.588 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.090 1.903 -6.491 1.00 0.00 H new ATOM 587 N VAL A 38 0.279 -0.042 -5.253 1.00 0.00 N ATOM 588 CA VAL A 38 1.606 0.564 -5.119 1.00 0.00 C ATOM 589 C VAL A 38 1.754 1.530 -6.295 1.00 0.00 C ATOM 590 O VAL A 38 1.220 1.276 -7.372 1.00 0.00 O ATOM 591 CB VAL A 38 2.759 -0.509 -5.123 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.174 0.142 -5.106 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.587 -1.477 -3.933 1.00 0.00 C ATOM 0 H VAL A 38 0.177 -0.581 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 38 1.691 1.078 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 38 2.682 -1.070 -6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.934 -0.639 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.296 0.771 -5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.284 0.751 -4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.389 -2.215 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.624 -0.916 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.626 -1.985 -4.013 1.00 0.00 H new ATOM 603 N ARG A 39 2.430 2.651 -6.079 1.00 0.00 N ATOM 604 CA ARG A 39 2.552 3.721 -7.077 1.00 0.00 C ATOM 605 C ARG A 39 3.838 4.498 -6.853 1.00 0.00 C ATOM 606 O ARG A 39 4.366 4.523 -5.739 1.00 0.00 O ATOM 607 CB ARG A 39 1.327 4.666 -6.978 1.00 0.00 C ATOM 608 CG ARG A 39 1.107 5.295 -5.577 1.00 0.00 C ATOM 609 CD ARG A 39 -0.153 6.182 -5.503 1.00 0.00 C ATOM 610 NE ARG A 39 -0.360 6.746 -4.156 1.00 0.00 N ATOM 611 CZ ARG A 39 0.190 7.877 -3.701 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.037 8.588 -4.442 1.00 0.00 N ATOM 613 NH2 ARG A 39 -0.099 8.291 -2.487 1.00 0.00 N ATOM 0 H ARG A 39 2.914 2.850 -5.204 1.00 0.00 H new ATOM 0 HA ARG A 39 2.582 3.282 -8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.443 5.468 -7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.432 4.109 -7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.028 4.499 -4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.980 5.891 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.067 6.994 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.026 5.594 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.971 6.233 -3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.281 8.274 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.442 9.447 -4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.737 7.751 -1.902 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.315 9.152 -2.130 1.00 0.00 H new ATOM 627 N ASP A 40 4.323 5.150 -7.911 1.00 0.00 N ATOM 628 CA ASP A 40 5.487 6.027 -7.818 1.00 0.00 C ATOM 629 C ASP A 40 4.985 7.425 -7.441 1.00 0.00 C ATOM 630 O ASP A 40 4.184 8.017 -8.169 1.00 0.00 O ATOM 631 CB ASP A 40 6.281 6.066 -9.149 1.00 0.00 C ATOM 632 CG ASP A 40 7.475 7.044 -9.093 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.553 6.651 -8.592 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.341 8.203 -9.548 1.00 0.00 O ATOM 0 H ASP A 40 3.923 5.085 -8.847 1.00 0.00 H new ATOM 0 HA ASP A 40 6.173 5.649 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.645 5.065 -9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.613 6.358 -9.959 1.00 0.00 H new ATOM 639 N SER A 41 5.414 7.918 -6.276 1.00 0.00 N ATOM 640 CA SER A 41 5.117 9.278 -5.847 1.00 0.00 C ATOM 641 C SER A 41 6.302 10.167 -6.250 1.00 0.00 C ATOM 642 O SER A 41 7.359 10.131 -5.607 1.00 0.00 O ATOM 643 CB SER A 41 4.862 9.291 -4.325 1.00 0.00 C ATOM 644 OG SER A 41 3.847 8.367 -3.984 1.00 0.00 O ATOM 0 H SER A 41 5.974 7.385 -5.610 1.00 0.00 H new ATOM 0 HA SER A 41 4.216 9.663 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.781 9.043 -3.794 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.572 10.293 -4.008 1.00 0.00 H new ATOM 0 HG SER A 41 3.476 8.598 -3.107 1.00 0.00 H new ATOM 650 N GLU A 42 6.144 10.901 -7.366 1.00 0.00 N ATOM 651 CA GLU A 42 7.078 11.974 -7.768 1.00 0.00 C ATOM 652 C GLU A 42 7.154 13.094 -6.715 1.00 0.00 C ATOM 653 O GLU A 42 8.234 13.623 -6.420 1.00 0.00 O ATOM 654 CB GLU A 42 6.639 12.568 -9.134 1.00 0.00 C ATOM 655 CG GLU A 42 6.643 11.565 -10.296 1.00 0.00 C ATOM 656 CD GLU A 42 6.200 12.192 -11.631 1.00 0.00 C ATOM 657 OE1 GLU A 42 4.988 12.446 -11.801 1.00 0.00 O ATOM 658 OE2 GLU A 42 7.056 12.447 -12.513 1.00 0.00 O ATOM 0 H GLU A 42 5.368 10.769 -8.015 1.00 0.00 H new ATOM 0 HA GLU A 42 8.071 11.533 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.635 12.981 -9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.300 13.397 -9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.645 11.152 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.981 10.733 -10.054 1.00 0.00 H new ATOM 665 N SER A 43 5.989 13.422 -6.144 1.00 0.00 N ATOM 666 CA SER A 43 5.810 14.575 -5.253 1.00 0.00 C ATOM 667 C SER A 43 6.110 14.225 -3.779 1.00 0.00 C ATOM 668 O SER A 43 5.243 14.361 -2.910 1.00 0.00 O ATOM 669 CB SER A 43 4.367 15.098 -5.437 1.00 0.00 C ATOM 670 OG SER A 43 4.092 15.336 -6.805 1.00 0.00 O ATOM 0 H SER A 43 5.133 12.887 -6.290 1.00 0.00 H new ATOM 0 HA SER A 43 6.524 15.355 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.658 14.372 -5.039 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.233 16.018 -4.868 1.00 0.00 H new ATOM 0 HG SER A 43 3.174 15.665 -6.902 1.00 0.00 H new ATOM 676 N VAL A 44 7.346 13.765 -3.521 1.00 0.00 N ATOM 677 CA VAL A 44 7.847 13.530 -2.153 1.00 0.00 C ATOM 678 C VAL A 44 9.388 13.608 -2.130 1.00 0.00 C ATOM 679 O VAL A 44 9.947 14.587 -1.611 1.00 0.00 O ATOM 680 CB VAL A 44 7.283 12.188 -1.495 1.00 0.00 C ATOM 681 CG1 VAL A 44 7.358 10.990 -2.462 1.00 0.00 C ATOM 682 CG2 VAL A 44 7.970 11.855 -0.134 1.00 0.00 C ATOM 0 H VAL A 44 8.025 13.546 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 44 7.459 14.328 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 44 6.230 12.376 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.964 10.101 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.768 11.204 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.396 10.817 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.550 10.934 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.041 11.728 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.799 12.670 0.569 1.00 0.00 H new ATOM 692 N ALA A 45 10.069 12.610 -2.725 1.00 0.00 N ATOM 693 CA ALA A 45 11.544 12.478 -2.676 1.00 0.00 C ATOM 694 C ALA A 45 12.022 11.384 -3.652 1.00 0.00 C ATOM 695 O ALA A 45 13.178 10.954 -3.587 1.00 0.00 O ATOM 696 CB ALA A 45 11.976 12.108 -1.247 1.00 0.00 C ATOM 0 H ALA A 45 9.613 11.868 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 45 11.991 13.429 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.061 12.010 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.657 12.889 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.516 11.162 -0.961 1.00 0.00 H new ATOM 702 N GLY A 46 11.142 10.967 -4.579 1.00 0.00 N ATOM 703 CA GLY A 46 11.315 9.700 -5.284 1.00 0.00 C ATOM 704 C GLY A 46 11.067 8.538 -4.327 1.00 0.00 C ATOM 705 O GLY A 46 11.984 8.090 -3.633 1.00 0.00 O ATOM 0 H GLY A 46 10.310 11.491 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.624 9.644 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.323 9.636 -5.694 1.00 0.00 H new ATOM 709 N ALA A 47 9.834 8.033 -4.324 1.00 0.00 N ATOM 710 CA ALA A 47 9.353 7.087 -3.298 1.00 0.00 C ATOM 711 C ALA A 47 8.250 6.211 -3.912 1.00 0.00 C ATOM 712 O ALA A 47 7.683 6.572 -4.950 1.00 0.00 O ATOM 713 CB ALA A 47 8.856 7.823 -2.039 1.00 0.00 C ATOM 0 H ALA A 47 9.134 8.263 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 47 10.179 6.453 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.509 7.095 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.672 8.407 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.035 8.488 -2.307 1.00 0.00 H new ATOM 719 N PHE A 48 7.967 5.054 -3.303 1.00 0.00 N ATOM 720 CA PHE A 48 6.786 4.240 -3.639 1.00 0.00 C ATOM 721 C PHE A 48 5.769 4.295 -2.491 1.00 0.00 C ATOM 722 O PHE A 48 6.138 4.191 -1.327 1.00 0.00 O ATOM 723 CB PHE A 48 7.182 2.776 -3.950 1.00 0.00 C ATOM 724 CG PHE A 48 7.862 2.619 -5.303 1.00 0.00 C ATOM 725 CD1 PHE A 48 7.123 2.738 -6.480 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.223 2.354 -5.405 1.00 0.00 C ATOM 727 CE1 PHE A 48 7.724 2.600 -7.712 1.00 0.00 C ATOM 728 CE2 PHE A 48 9.822 2.214 -6.640 1.00 0.00 C ATOM 729 CZ PHE A 48 9.072 2.334 -7.792 1.00 0.00 C ATOM 0 H PHE A 48 8.546 4.654 -2.565 1.00 0.00 H new ATOM 0 HA PHE A 48 6.328 4.654 -4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.850 2.412 -3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.290 2.150 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.064 2.941 -6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.817 2.257 -4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.138 2.700 -8.614 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.881 2.010 -6.705 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.543 2.219 -8.757 1.00 0.00 H new ATOM 739 N ALA A 49 4.487 4.440 -2.844 1.00 0.00 N ATOM 740 CA ALA A 49 3.394 4.604 -1.887 1.00 0.00 C ATOM 741 C ALA A 49 2.390 3.456 -2.043 1.00 0.00 C ATOM 742 O ALA A 49 2.014 3.107 -3.167 1.00 0.00 O ATOM 743 CB ALA A 49 2.716 5.966 -2.081 1.00 0.00 C ATOM 0 H ALA A 49 4.178 4.446 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 49 3.795 4.573 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.904 6.074 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.446 6.761 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.316 6.032 -3.093 1.00 0.00 H new ATOM 749 N LEU A 50 1.952 2.904 -0.907 1.00 0.00 N ATOM 750 CA LEU A 50 1.006 1.792 -0.831 1.00 0.00 C ATOM 751 C LEU A 50 -0.322 2.369 -0.328 1.00 0.00 C ATOM 752 O LEU A 50 -0.440 2.714 0.841 1.00 0.00 O ATOM 753 CB LEU A 50 1.559 0.693 0.129 1.00 0.00 C ATOM 754 CG LEU A 50 0.635 -0.537 0.407 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.340 -1.348 -0.871 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.222 -1.434 1.523 1.00 0.00 C ATOM 0 H LEU A 50 2.256 3.230 0.010 1.00 0.00 H new ATOM 0 HA LEU A 50 0.859 1.320 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.498 0.325 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.793 1.164 1.084 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.320 -0.146 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.305 -2.191 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.159 -0.709 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.275 -1.717 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.559 -2.282 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.204 -1.797 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.318 -0.856 2.442 1.00 0.00 H new ATOM 768 N CYS A 51 -1.295 2.537 -1.231 1.00 0.00 N ATOM 769 CA CYS A 51 -2.581 3.184 -0.928 1.00 0.00 C ATOM 770 C CYS A 51 -3.672 2.098 -0.876 1.00 0.00 C ATOM 771 O CYS A 51 -3.947 1.445 -1.887 1.00 0.00 O ATOM 772 CB CYS A 51 -2.889 4.243 -2.015 1.00 0.00 C ATOM 773 SG CYS A 51 -4.351 5.242 -1.708 1.00 0.00 S ATOM 0 H CYS A 51 -1.214 2.227 -2.199 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.545 3.692 0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.028 4.905 -2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.008 3.735 -2.972 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.070 6.168 -0.840 1.00 0.00 H new ATOM 779 N VAL A 52 -4.277 1.915 0.311 1.00 0.00 N ATOM 780 CA VAL A 52 -5.199 0.801 0.620 1.00 0.00 C ATOM 781 C VAL A 52 -6.556 1.377 1.065 1.00 0.00 C ATOM 782 O VAL A 52 -6.619 2.104 2.063 1.00 0.00 O ATOM 783 CB VAL A 52 -4.622 -0.117 1.773 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.515 -1.365 2.019 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.150 -0.523 1.498 1.00 0.00 C ATOM 0 H VAL A 52 -4.138 2.548 1.099 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.318 0.194 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.634 0.476 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.084 -1.969 2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.517 -1.045 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.571 -1.958 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.788 -1.153 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.094 -1.074 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.532 0.372 1.430 1.00 0.00 H new ATOM 795 N LEU A 53 -7.627 1.078 0.311 1.00 0.00 N ATOM 796 CA LEU A 53 -9.007 1.462 0.659 1.00 0.00 C ATOM 797 C LEU A 53 -9.658 0.327 1.468 1.00 0.00 C ATOM 798 O LEU A 53 -9.591 -0.832 1.057 1.00 0.00 O ATOM 799 CB LEU A 53 -9.830 1.721 -0.638 1.00 0.00 C ATOM 800 CG LEU A 53 -11.375 1.951 -0.467 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.695 3.174 0.424 1.00 0.00 C ATOM 802 CD2 LEU A 53 -12.072 2.060 -1.844 1.00 0.00 C ATOM 0 H LEU A 53 -7.560 0.559 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.990 2.375 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.410 2.595 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.686 0.872 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.773 1.078 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.776 3.289 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.266 3.025 1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.269 4.072 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.141 2.219 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.652 2.899 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.915 1.139 -2.405 1.00 0.00 H new ATOM 814 N TYR A 54 -10.298 0.675 2.599 1.00 0.00 N ATOM 815 CA TYR A 54 -11.108 -0.261 3.392 1.00 0.00 C ATOM 816 C TYR A 54 -11.999 0.508 4.378 1.00 0.00 C ATOM 817 O TYR A 54 -11.495 1.307 5.167 1.00 0.00 O ATOM 818 CB TYR A 54 -10.235 -1.270 4.177 1.00 0.00 C ATOM 819 CG TYR A 54 -11.054 -2.296 4.987 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.744 -3.324 4.341 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.129 -2.248 6.384 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.473 -4.256 5.055 1.00 0.00 C ATOM 823 CE2 TYR A 54 -11.862 -3.178 7.100 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.528 -4.183 6.430 1.00 0.00 C ATOM 825 OH TYR A 54 -13.255 -5.121 7.131 1.00 0.00 O ATOM 0 H TYR A 54 -10.266 1.617 2.988 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.724 -0.821 2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.592 -1.803 3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.582 -0.722 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.707 -3.392 3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.603 -1.468 6.915 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.000 -5.042 4.535 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.912 -3.117 8.177 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.193 -4.932 8.091 1.00 0.00 H new ATOM 835 N GLN A 55 -13.301 0.193 4.341 1.00 0.00 N ATOM 836 CA GLN A 55 -14.332 0.710 5.264 1.00 0.00 C ATOM 837 C GLN A 55 -14.237 2.243 5.426 1.00 0.00 C ATOM 838 O GLN A 55 -14.128 2.757 6.545 1.00 0.00 O ATOM 839 CB GLN A 55 -14.216 -0.036 6.634 1.00 0.00 C ATOM 840 CG GLN A 55 -15.429 0.097 7.578 1.00 0.00 C ATOM 841 CD GLN A 55 -15.190 -0.599 8.917 1.00 0.00 C ATOM 842 OE1 GLN A 55 -14.731 0.018 9.878 1.00 0.00 O ATOM 843 NE2 GLN A 55 -15.454 -1.894 8.981 1.00 0.00 N ATOM 0 H GLN A 55 -13.682 -0.449 3.647 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.318 0.514 4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.048 -1.095 6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.333 0.335 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.640 1.152 7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -16.310 -0.331 7.099 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.834 -2.378 8.167 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.277 -2.408 9.844 1.00 0.00 H new ATOM 852 N LYS A 56 -14.248 2.957 4.280 1.00 0.00 N ATOM 853 CA LYS A 56 -14.131 4.429 4.209 1.00 0.00 C ATOM 854 C LYS A 56 -12.845 4.944 4.901 1.00 0.00 C ATOM 855 O LYS A 56 -12.849 5.991 5.566 1.00 0.00 O ATOM 856 CB LYS A 56 -15.427 5.092 4.763 1.00 0.00 C ATOM 857 CG LYS A 56 -16.716 4.608 4.054 1.00 0.00 C ATOM 858 CD LYS A 56 -18.003 5.258 4.608 1.00 0.00 C ATOM 859 CE LYS A 56 -19.265 4.735 3.898 1.00 0.00 C ATOM 860 NZ LYS A 56 -20.488 5.477 4.304 1.00 0.00 N ATOM 0 H LYS A 56 -14.340 2.519 3.363 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.032 4.721 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.507 4.881 5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.347 6.174 4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.639 4.824 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.792 3.525 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.079 5.058 5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.943 6.340 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -19.133 4.818 2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -19.393 3.676 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -21.312 5.090 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -20.630 5.377 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.378 6.484 4.066 1.00 0.00 H new ATOM 874 N HIS A 57 -11.746 4.191 4.715 1.00 0.00 N ATOM 875 CA HIS A 57 -10.399 4.556 5.187 1.00 0.00 C ATOM 876 C HIS A 57 -9.393 4.247 4.072 1.00 0.00 C ATOM 877 O HIS A 57 -9.106 3.080 3.800 1.00 0.00 O ATOM 878 CB HIS A 57 -9.993 3.782 6.478 1.00 0.00 C ATOM 879 CG HIS A 57 -10.857 4.054 7.673 1.00 0.00 C ATOM 880 ND1 HIS A 57 -11.779 3.155 8.148 1.00 0.00 N ATOM 881 CD2 HIS A 57 -10.922 5.125 8.497 1.00 0.00 C ATOM 882 CE1 HIS A 57 -12.376 3.656 9.207 1.00 0.00 C ATOM 883 NE2 HIS A 57 -11.876 4.851 9.445 1.00 0.00 N ATOM 0 H HIS A 57 -11.770 3.297 4.224 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.402 5.618 5.433 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.016 2.713 6.266 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.962 4.035 6.727 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.333 6.027 8.423 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.147 3.169 9.785 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.152 5.470 10.207 1.00 0.00 H new ATOM 892 N VAL A 58 -8.903 5.293 3.411 1.00 0.00 N ATOM 893 CA VAL A 58 -7.784 5.196 2.467 1.00 0.00 C ATOM 894 C VAL A 58 -6.503 5.529 3.234 1.00 0.00 C ATOM 895 O VAL A 58 -6.297 6.688 3.610 1.00 0.00 O ATOM 896 CB VAL A 58 -7.954 6.178 1.246 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.737 6.113 0.290 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.270 5.892 0.486 1.00 0.00 C ATOM 0 H VAL A 58 -9.271 6.239 3.513 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.747 4.187 2.055 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.005 7.191 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.889 6.803 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.833 6.391 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.631 5.099 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.364 6.583 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.259 4.868 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.116 6.023 1.161 1.00 0.00 H new ATOM 908 N HIS A 59 -5.669 4.519 3.516 1.00 0.00 N ATOM 909 CA HIS A 59 -4.380 4.707 4.195 1.00 0.00 C ATOM 910 C HIS A 59 -3.272 4.617 3.133 1.00 0.00 C ATOM 911 O HIS A 59 -3.221 3.646 2.383 1.00 0.00 O ATOM 912 CB HIS A 59 -4.186 3.607 5.291 1.00 0.00 C ATOM 913 CG HIS A 59 -3.074 3.864 6.293 1.00 0.00 C ATOM 914 ND1 HIS A 59 -3.200 3.598 7.641 1.00 0.00 N ATOM 915 CD2 HIS A 59 -1.806 4.305 6.129 1.00 0.00 C ATOM 916 CE1 HIS A 59 -2.066 3.877 8.257 1.00 0.00 C ATOM 917 NE2 HIS A 59 -1.204 4.309 7.358 1.00 0.00 N ATOM 0 H HIS A 59 -5.869 3.547 3.279 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.344 5.678 4.689 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.123 3.495 5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.990 2.656 4.795 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.350 4.601 5.196 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.877 3.770 9.315 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.245 4.599 7.548 1.00 0.00 H new ATOM 926 N THR A 60 -2.366 5.605 3.109 1.00 0.00 N ATOM 927 CA THR A 60 -1.215 5.615 2.200 1.00 0.00 C ATOM 928 C THR A 60 0.055 5.397 3.039 1.00 0.00 C ATOM 929 O THR A 60 0.190 5.965 4.127 1.00 0.00 O ATOM 930 CB THR A 60 -1.120 6.957 1.393 1.00 0.00 C ATOM 931 OG1 THR A 60 -2.288 7.121 0.577 1.00 0.00 O ATOM 932 CG2 THR A 60 0.133 7.020 0.496 1.00 0.00 C ATOM 0 H THR A 60 -2.412 6.420 3.721 1.00 0.00 H new ATOM 0 HA THR A 60 -1.330 4.818 1.466 1.00 0.00 H new ATOM 0 HB THR A 60 -1.048 7.762 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.024 7.175 -0.365 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.150 7.969 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.027 6.936 1.114 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.109 6.199 -0.221 1.00 0.00 H new ATOM 940 N TYR A 61 0.967 4.567 2.523 1.00 0.00 N ATOM 941 CA TYR A 61 2.241 4.242 3.173 1.00 0.00 C ATOM 942 C TYR A 61 3.349 4.672 2.195 1.00 0.00 C ATOM 943 O TYR A 61 3.572 3.980 1.214 1.00 0.00 O ATOM 944 CB TYR A 61 2.355 2.704 3.478 1.00 0.00 C ATOM 945 CG TYR A 61 1.210 2.060 4.303 1.00 0.00 C ATOM 946 CD1 TYR A 61 0.041 1.604 3.683 1.00 0.00 C ATOM 947 CD2 TYR A 61 1.311 1.867 5.688 1.00 0.00 C ATOM 948 CE1 TYR A 61 -0.972 0.996 4.399 1.00 0.00 C ATOM 949 CE2 TYR A 61 0.298 1.260 6.408 1.00 0.00 C ATOM 950 CZ TYR A 61 -0.840 0.825 5.759 1.00 0.00 C ATOM 951 OH TYR A 61 -1.848 0.214 6.470 1.00 0.00 O ATOM 0 H TYR A 61 0.839 4.095 1.628 1.00 0.00 H new ATOM 0 HA TYR A 61 2.323 4.758 4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.426 2.175 2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.292 2.533 4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.072 1.731 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.199 2.200 6.204 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.864 0.656 3.894 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.397 1.127 7.475 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.600 0.169 7.417 1.00 0.00 H new ATOM 961 N ARG A 62 4.005 5.832 2.415 1.00 0.00 N ATOM 962 CA ARG A 62 5.095 6.292 1.521 1.00 0.00 C ATOM 963 C ARG A 62 6.425 5.669 1.975 1.00 0.00 C ATOM 964 O ARG A 62 7.053 6.140 2.930 1.00 0.00 O ATOM 965 CB ARG A 62 5.196 7.842 1.523 1.00 0.00 C ATOM 966 CG ARG A 62 3.976 8.572 0.921 1.00 0.00 C ATOM 967 CD ARG A 62 4.062 10.096 1.121 1.00 0.00 C ATOM 968 NE ARG A 62 4.090 10.458 2.555 1.00 0.00 N ATOM 969 CZ ARG A 62 4.227 11.696 3.048 1.00 0.00 C ATOM 970 NH1 ARG A 62 4.326 12.748 2.256 1.00 0.00 N ATOM 971 NH2 ARG A 62 4.267 11.872 4.355 1.00 0.00 N ATOM 0 H ARG A 62 3.804 6.461 3.192 1.00 0.00 H new ATOM 0 HA ARG A 62 4.874 5.972 0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.335 8.182 2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.087 8.135 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.909 8.349 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.063 8.196 1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.958 10.477 0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.208 10.575 0.641 1.00 0.00 H new ATOM 0 HE ARG A 62 3.997 9.697 3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.299 12.628 1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.430 13.680 2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.194 11.069 4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.371 12.811 4.740 1.00 0.00 H new ATOM 985 N ILE A 63 6.799 4.563 1.330 1.00 0.00 N ATOM 986 CA ILE A 63 8.114 3.931 1.495 1.00 0.00 C ATOM 987 C ILE A 63 9.162 4.588 0.560 1.00 0.00 C ATOM 988 O ILE A 63 8.851 4.925 -0.579 1.00 0.00 O ATOM 989 CB ILE A 63 8.044 2.376 1.198 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.947 1.631 2.052 1.00 0.00 C ATOM 991 CG2 ILE A 63 9.418 1.731 1.415 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.550 1.610 1.454 1.00 0.00 C ATOM 0 H ILE A 63 6.193 4.074 0.671 1.00 0.00 H new ATOM 0 HA ILE A 63 8.417 4.077 2.532 1.00 0.00 H new ATOM 0 HB ILE A 63 7.750 2.270 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.271 0.602 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.895 2.102 3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.355 0.663 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.145 2.189 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.732 1.882 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.876 1.073 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.194 2.632 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.576 1.109 0.486 1.00 0.00 H new ATOM 1004 N LEU A 64 10.409 4.748 1.052 1.00 0.00 N ATOM 1005 CA LEU A 64 11.560 5.208 0.246 1.00 0.00 C ATOM 1006 C LEU A 64 12.336 3.946 -0.232 1.00 0.00 C ATOM 1007 O LEU A 64 12.810 3.177 0.602 1.00 0.00 O ATOM 1008 CB LEU A 64 12.469 6.175 1.073 1.00 0.00 C ATOM 1009 CG LEU A 64 11.950 7.648 1.250 1.00 0.00 C ATOM 1010 CD1 LEU A 64 10.623 7.724 2.044 1.00 0.00 C ATOM 1011 CD2 LEU A 64 13.037 8.553 1.883 1.00 0.00 C ATOM 0 H LEU A 64 10.647 4.560 2.026 1.00 0.00 H new ATOM 0 HA LEU A 64 11.220 5.776 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.614 5.743 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.448 6.214 0.596 1.00 0.00 H new ATOM 0 HG LEU A 64 11.734 8.024 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.313 8.765 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.852 7.160 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.769 7.301 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.649 9.566 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.311 8.161 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.917 8.570 1.239 1.00 0.00 H new ATOM 1023 N PRO A 65 12.459 3.705 -1.573 1.00 0.00 N ATOM 1024 CA PRO A 65 12.836 2.376 -2.113 1.00 0.00 C ATOM 1025 C PRO A 65 14.338 1.986 -2.002 1.00 0.00 C ATOM 1026 O PRO A 65 14.662 0.911 -1.478 1.00 0.00 O ATOM 1027 CB PRO A 65 12.385 2.484 -3.593 1.00 0.00 C ATOM 1028 CG PRO A 65 12.527 3.939 -3.933 1.00 0.00 C ATOM 1029 CD PRO A 65 12.220 4.699 -2.660 1.00 0.00 C ATOM 0 HA PRO A 65 12.368 1.579 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.004 1.864 -4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.356 2.147 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.534 4.160 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.840 4.222 -4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.865 5.571 -2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.192 5.060 -2.650 1.00 0.00 H new ATOM 1037 N ASP A 66 15.245 2.856 -2.471 1.00 0.00 N ATOM 1038 CA ASP A 66 16.617 2.440 -2.856 1.00 0.00 C ATOM 1039 C ASP A 66 17.632 3.577 -2.615 1.00 0.00 C ATOM 1040 O ASP A 66 17.243 4.730 -2.374 1.00 0.00 O ATOM 1041 CB ASP A 66 16.579 1.997 -4.351 1.00 0.00 C ATOM 1042 CG ASP A 66 17.925 1.506 -4.911 1.00 0.00 C ATOM 1043 OD1 ASP A 66 18.316 0.352 -4.625 1.00 0.00 O ATOM 1044 OD2 ASP A 66 18.613 2.274 -5.625 1.00 0.00 O ATOM 0 H ASP A 66 15.061 3.852 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 66 16.948 1.605 -2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.843 1.201 -4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.234 2.836 -4.956 1.00 0.00 H new ATOM 1049 N GLY A 67 18.936 3.235 -2.683 1.00 0.00 N ATOM 1050 CA GLY A 67 20.029 4.195 -2.520 1.00 0.00 C ATOM 1051 C GLY A 67 21.130 3.652 -1.634 1.00 0.00 C ATOM 1052 O GLY A 67 21.996 2.913 -2.098 1.00 0.00 O ATOM 0 H GLY A 67 19.253 2.281 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.440 4.446 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.640 5.119 -2.091 1.00 0.00 H new ATOM 1056 N GLU A 68 21.078 4.012 -0.348 1.00 0.00 N ATOM 1057 CA GLU A 68 22.052 3.571 0.674 1.00 0.00 C ATOM 1058 C GLU A 68 21.292 2.931 1.858 1.00 0.00 C ATOM 1059 O GLU A 68 21.780 2.903 2.995 1.00 0.00 O ATOM 1060 CB GLU A 68 22.890 4.793 1.146 1.00 0.00 C ATOM 1061 CG GLU A 68 22.055 5.905 1.822 1.00 0.00 C ATOM 1062 CD GLU A 68 22.895 7.097 2.303 1.00 0.00 C ATOM 1063 OE1 GLU A 68 23.584 6.975 3.338 1.00 0.00 O ATOM 1064 OE2 GLU A 68 22.865 8.165 1.648 1.00 0.00 O ATOM 0 H GLU A 68 20.353 4.625 0.024 1.00 0.00 H new ATOM 0 HA GLU A 68 22.730 2.828 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 68 23.652 4.449 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 68 23.412 5.216 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 68 21.303 6.262 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.521 5.481 2.672 1.00 0.00 H new ATOM 1071 N ASP A 69 20.140 2.327 1.539 1.00 0.00 N ATOM 1072 CA ASP A 69 19.095 1.989 2.525 1.00 0.00 C ATOM 1073 C ASP A 69 18.190 0.877 1.932 1.00 0.00 C ATOM 1074 O ASP A 69 18.335 0.513 0.754 1.00 0.00 O ATOM 1075 CB ASP A 69 18.296 3.295 2.879 1.00 0.00 C ATOM 1076 CG ASP A 69 17.345 3.165 4.087 1.00 0.00 C ATOM 1077 OD1 ASP A 69 17.837 2.976 5.221 1.00 0.00 O ATOM 1078 OD2 ASP A 69 16.109 3.218 3.913 1.00 0.00 O ATOM 0 H ASP A 69 19.902 2.056 0.585 1.00 0.00 H new ATOM 0 HA ASP A 69 19.525 1.604 3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.007 4.096 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.714 3.596 2.007 1.00 0.00 H new ATOM 1083 N PHE A 70 17.257 0.361 2.740 1.00 0.00 N ATOM 1084 CA PHE A 70 16.322 -0.705 2.345 1.00 0.00 C ATOM 1085 C PHE A 70 14.911 -0.154 2.495 1.00 0.00 C ATOM 1086 O PHE A 70 14.694 0.747 3.304 1.00 0.00 O ATOM 1087 CB PHE A 70 16.520 -1.968 3.224 1.00 0.00 C ATOM 1088 CG PHE A 70 17.864 -2.657 3.001 1.00 0.00 C ATOM 1089 CD1 PHE A 70 18.044 -3.524 1.927 1.00 0.00 C ATOM 1090 CD2 PHE A 70 18.946 -2.432 3.854 1.00 0.00 C ATOM 1091 CE1 PHE A 70 19.262 -4.144 1.711 1.00 0.00 C ATOM 1092 CE2 PHE A 70 20.161 -3.055 3.635 1.00 0.00 C ATOM 1093 CZ PHE A 70 20.319 -3.912 2.564 1.00 0.00 C ATOM 0 H PHE A 70 17.126 0.675 3.702 1.00 0.00 H new ATOM 0 HA PHE A 70 16.503 -1.006 1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 70 16.433 -1.688 4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 70 15.718 -2.676 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 70 17.222 -3.715 1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 70 18.833 -1.764 4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 70 19.385 -4.812 0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 70 20.989 -2.871 4.304 1.00 0.00 H new ATOM 0 HZ PHE A 70 21.268 -4.399 2.395 1.00 0.00 H new ATOM 1103 N LEU A 71 13.938 -0.744 1.799 1.00 0.00 N ATOM 1104 CA LEU A 71 12.593 -0.162 1.721 1.00 0.00 C ATOM 1105 C LEU A 71 11.713 -0.773 2.823 1.00 0.00 C ATOM 1106 O LEU A 71 11.415 -1.968 2.814 1.00 0.00 O ATOM 1107 CB LEU A 71 11.953 -0.336 0.308 1.00 0.00 C ATOM 1108 CG LEU A 71 11.896 -1.764 -0.332 1.00 0.00 C ATOM 1109 CD1 LEU A 71 10.671 -1.919 -1.269 1.00 0.00 C ATOM 1110 CD2 LEU A 71 13.197 -2.085 -1.095 1.00 0.00 C ATOM 0 H LEU A 71 14.052 -1.617 1.284 1.00 0.00 H new ATOM 0 HA LEU A 71 12.672 0.913 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.932 0.041 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.496 0.311 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 71 11.790 -2.478 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.664 -2.922 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.755 -1.760 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.732 -1.184 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.128 -3.083 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.343 -1.353 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.041 -2.046 -0.407 1.00 0.00 H new ATOM 1122 N ALA A 72 11.356 0.069 3.806 1.00 0.00 N ATOM 1123 CA ALA A 72 10.549 -0.325 4.968 1.00 0.00 C ATOM 1124 C ALA A 72 9.231 0.448 4.999 1.00 0.00 C ATOM 1125 O ALA A 72 9.195 1.650 4.699 1.00 0.00 O ATOM 1126 CB ALA A 72 11.335 -0.075 6.259 1.00 0.00 C ATOM 0 H ALA A 72 11.624 1.053 3.815 1.00 0.00 H new ATOM 0 HA ALA A 72 10.322 -1.388 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.730 -0.370 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.254 -0.661 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.581 0.984 6.336 1.00 0.00 H new ATOM 1132 N VAL A 73 8.165 -0.245 5.407 1.00 0.00 N ATOM 1133 CA VAL A 73 6.823 0.348 5.534 1.00 0.00 C ATOM 1134 C VAL A 73 6.673 0.926 6.947 1.00 0.00 C ATOM 1135 O VAL A 73 7.145 0.324 7.911 1.00 0.00 O ATOM 1136 CB VAL A 73 5.691 -0.699 5.264 1.00 0.00 C ATOM 1137 CG1 VAL A 73 4.293 -0.032 5.218 1.00 0.00 C ATOM 1138 CG2 VAL A 73 5.970 -1.509 3.979 1.00 0.00 C ATOM 0 H VAL A 73 8.203 -1.233 5.659 1.00 0.00 H new ATOM 0 HA VAL A 73 6.721 1.133 4.785 1.00 0.00 H new ATOM 0 HB VAL A 73 5.689 -1.397 6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.534 -0.791 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.090 0.454 6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.270 0.711 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.166 -2.227 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.026 -0.832 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.916 -2.041 4.082 1.00 0.00 H new ATOM 1148 N GLN A 74 5.995 2.072 7.077 1.00 0.00 N ATOM 1149 CA GLN A 74 5.832 2.760 8.363 1.00 0.00 C ATOM 1150 C GLN A 74 4.374 2.611 8.804 1.00 0.00 C ATOM 1151 O GLN A 74 3.505 3.388 8.407 1.00 0.00 O ATOM 1152 CB GLN A 74 6.296 4.257 8.267 1.00 0.00 C ATOM 1153 CG GLN A 74 7.768 4.520 8.690 1.00 0.00 C ATOM 1154 CD GLN A 74 8.810 3.635 7.989 1.00 0.00 C ATOM 1155 OE1 GLN A 74 9.300 3.963 6.914 1.00 0.00 O ATOM 1156 NE2 GLN A 74 9.166 2.506 8.597 1.00 0.00 N ATOM 0 H GLN A 74 5.545 2.548 6.295 1.00 0.00 H new ATOM 0 HA GLN A 74 6.470 2.307 9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.163 4.597 7.240 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.641 4.865 8.891 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.007 5.565 8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.853 4.373 9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.745 2.254 9.491 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.860 1.893 8.169 1.00 0.00 H new ATOM 1165 N THR A 75 4.123 1.540 9.569 1.00 0.00 N ATOM 1166 CA THR A 75 2.832 1.294 10.218 1.00 0.00 C ATOM 1167 C THR A 75 2.847 2.003 11.581 1.00 0.00 C ATOM 1168 O THR A 75 2.219 3.062 11.740 1.00 0.00 O ATOM 1169 CB THR A 75 2.542 -0.250 10.359 1.00 0.00 C ATOM 1170 OG1 THR A 75 3.705 -0.926 10.875 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.134 -0.886 9.018 1.00 0.00 C ATOM 0 H THR A 75 4.817 0.816 9.755 1.00 0.00 H new ATOM 0 HA THR A 75 2.023 1.694 9.607 1.00 0.00 H new ATOM 0 HB THR A 75 1.708 -0.361 11.051 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.515 -1.884 10.961 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.944 -1.950 9.163 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.230 -0.403 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.938 -0.756 8.294 1.00 0.00 H new ATOM 1179 N SER A 76 3.643 1.446 12.520 1.00 0.00 N ATOM 1180 CA SER A 76 3.848 1.989 13.868 1.00 0.00 C ATOM 1181 C SER A 76 4.819 1.071 14.635 1.00 0.00 C ATOM 1182 O SER A 76 4.749 -0.155 14.502 1.00 0.00 O ATOM 1183 CB SER A 76 2.510 2.116 14.649 1.00 0.00 C ATOM 1184 OG SER A 76 2.710 2.687 15.931 1.00 0.00 O ATOM 0 H SER A 76 4.169 0.588 12.352 1.00 0.00 H new ATOM 0 HA SER A 76 4.267 2.991 13.775 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.812 2.731 14.080 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.054 1.132 14.755 1.00 0.00 H new ATOM 0 HG SER A 76 1.850 2.755 16.396 1.00 0.00 H new ATOM 1190 N GLN A 77 5.725 1.673 15.426 1.00 0.00 N ATOM 1191 CA GLN A 77 6.628 0.926 16.318 1.00 0.00 C ATOM 1192 C GLN A 77 5.808 0.338 17.483 1.00 0.00 C ATOM 1193 O GLN A 77 5.048 1.070 18.134 1.00 0.00 O ATOM 1194 CB GLN A 77 7.761 1.850 16.828 1.00 0.00 C ATOM 1195 CG GLN A 77 8.794 1.165 17.746 1.00 0.00 C ATOM 1196 CD GLN A 77 10.049 2.016 18.001 1.00 0.00 C ATOM 1197 OE1 GLN A 77 10.461 2.815 17.155 1.00 0.00 O ATOM 1198 NE2 GLN A 77 10.673 1.849 19.159 1.00 0.00 N ATOM 0 H GLN A 77 5.851 2.684 15.465 1.00 0.00 H new ATOM 0 HA GLN A 77 7.097 0.106 15.774 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.283 2.269 15.968 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.314 2.685 17.368 1.00 0.00 H new ATOM 0 HG2 GLN A 77 8.322 0.933 18.701 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.093 0.217 17.299 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.312 1.182 19.841 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.514 2.387 19.367 1.00 0.00 H new ATOM 1207 N GLY A 78 5.947 -0.979 17.726 1.00 0.00 N ATOM 1208 CA GLY A 78 5.042 -1.740 18.588 1.00 0.00 C ATOM 1209 C GLY A 78 4.812 -3.105 17.945 1.00 0.00 C ATOM 1210 O GLY A 78 5.392 -4.108 18.370 1.00 0.00 O ATOM 0 H GLY A 78 6.697 -1.542 17.324 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.471 -1.855 19.583 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.096 -1.211 18.708 1.00 0.00 H new ATOM 1214 N VAL A 79 3.960 -3.119 16.901 1.00 0.00 N ATOM 1215 CA VAL A 79 3.872 -4.227 15.924 1.00 0.00 C ATOM 1216 C VAL A 79 5.207 -4.346 15.130 1.00 0.00 C ATOM 1217 O VAL A 79 5.814 -3.317 14.796 1.00 0.00 O ATOM 1218 CB VAL A 79 2.655 -4.041 14.929 1.00 0.00 C ATOM 1219 CG1 VAL A 79 1.316 -4.021 15.703 1.00 0.00 C ATOM 1220 CG2 VAL A 79 2.808 -2.767 14.048 1.00 0.00 C ATOM 0 H VAL A 79 3.309 -2.358 16.709 1.00 0.00 H new ATOM 0 HA VAL A 79 3.700 -5.148 16.481 1.00 0.00 H new ATOM 0 HB VAL A 79 2.653 -4.897 14.254 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.492 -3.892 15.001 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.192 -4.962 16.240 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.319 -3.195 16.414 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.950 -2.681 13.381 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.860 -1.886 14.688 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.721 -2.841 13.457 1.00 0.00 H new ATOM 1230 N PRO A 80 5.706 -5.592 14.843 1.00 0.00 N ATOM 1231 CA PRO A 80 7.006 -5.798 14.154 1.00 0.00 C ATOM 1232 C PRO A 80 6.991 -5.245 12.703 1.00 0.00 C ATOM 1233 O PRO A 80 6.160 -5.640 11.878 1.00 0.00 O ATOM 1234 CB PRO A 80 7.204 -7.343 14.198 1.00 0.00 C ATOM 1235 CG PRO A 80 5.816 -7.898 14.331 1.00 0.00 C ATOM 1236 CD PRO A 80 5.060 -6.891 15.172 1.00 0.00 C ATOM 0 HA PRO A 80 7.825 -5.261 14.632 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.691 -7.706 13.293 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.832 -7.639 15.039 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.348 -8.025 13.355 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.829 -8.878 14.808 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.998 -6.882 14.926 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.139 -7.119 16.235 1.00 0.00 H new ATOM 1244 N VAL A 81 7.909 -4.306 12.429 1.00 0.00 N ATOM 1245 CA VAL A 81 8.097 -3.694 11.102 1.00 0.00 C ATOM 1246 C VAL A 81 9.291 -4.386 10.409 1.00 0.00 C ATOM 1247 O VAL A 81 10.282 -4.725 11.068 1.00 0.00 O ATOM 1248 CB VAL A 81 8.357 -2.142 11.237 1.00 0.00 C ATOM 1249 CG1 VAL A 81 8.711 -1.490 9.874 1.00 0.00 C ATOM 1250 CG2 VAL A 81 7.145 -1.437 11.915 1.00 0.00 C ATOM 0 H VAL A 81 8.552 -3.944 13.133 1.00 0.00 H new ATOM 0 HA VAL A 81 7.195 -3.827 10.504 1.00 0.00 H new ATOM 0 HB VAL A 81 9.227 -2.008 11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.882 -0.423 10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.613 -1.952 9.473 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.887 -1.637 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.345 -0.369 11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.250 -1.593 11.313 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.990 -1.856 12.909 1.00 0.00 H new ATOM 1260 N ARG A 82 9.186 -4.604 9.089 1.00 0.00 N ATOM 1261 CA ARG A 82 10.224 -5.285 8.289 1.00 0.00 C ATOM 1262 C ARG A 82 10.807 -4.340 7.213 1.00 0.00 C ATOM 1263 O ARG A 82 10.079 -3.510 6.649 1.00 0.00 O ATOM 1264 CB ARG A 82 9.602 -6.536 7.613 1.00 0.00 C ATOM 1265 CG ARG A 82 9.122 -7.643 8.582 1.00 0.00 C ATOM 1266 CD ARG A 82 10.284 -8.280 9.369 1.00 0.00 C ATOM 1267 NE ARG A 82 9.848 -9.461 10.149 1.00 0.00 N ATOM 1268 CZ ARG A 82 10.069 -10.742 9.804 1.00 0.00 C ATOM 1269 NH1 ARG A 82 10.680 -11.055 8.660 1.00 0.00 N ATOM 1270 NH2 ARG A 82 9.671 -11.713 10.613 1.00 0.00 N ATOM 0 H ARG A 82 8.376 -4.313 8.541 1.00 0.00 H new ATOM 0 HA ARG A 82 11.038 -5.583 8.950 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.756 -6.217 7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.339 -6.965 6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.401 -7.221 9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.603 -8.417 8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.072 -8.575 8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.713 -7.539 10.043 1.00 0.00 H new ATOM 0 HE ARG A 82 9.340 -9.289 11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.989 -10.316 8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.838 -12.033 8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.201 -11.486 11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.834 -12.687 10.359 1.00 0.00 H new ATOM 1284 N ARG A 83 12.126 -4.465 6.953 1.00 0.00 N ATOM 1285 CA ARG A 83 12.781 -3.863 5.776 1.00 0.00 C ATOM 1286 C ARG A 83 12.844 -4.910 4.659 1.00 0.00 C ATOM 1287 O ARG A 83 12.978 -6.109 4.934 1.00 0.00 O ATOM 1288 CB ARG A 83 14.217 -3.351 6.100 1.00 0.00 C ATOM 1289 CG ARG A 83 14.263 -2.113 7.028 1.00 0.00 C ATOM 1290 CD ARG A 83 15.674 -1.512 7.146 1.00 0.00 C ATOM 1291 NE ARG A 83 15.678 -0.226 7.876 1.00 0.00 N ATOM 1292 CZ ARG A 83 15.618 0.998 7.312 1.00 0.00 C ATOM 1293 NH1 ARG A 83 15.473 1.145 5.991 1.00 0.00 N ATOM 1294 NH2 ARG A 83 15.676 2.072 8.080 1.00 0.00 N ATOM 0 H ARG A 83 12.765 -4.986 7.554 1.00 0.00 H new ATOM 0 HA ARG A 83 12.194 -3.000 5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.781 -4.159 6.566 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.722 -3.107 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.580 -1.354 6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.908 -2.394 8.020 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.326 -2.220 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.087 -1.362 6.148 1.00 0.00 H new ATOM 0 HE ARG A 83 15.731 -0.268 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.406 0.323 5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 83 15.430 2.079 5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.765 1.972 9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.631 3.001 7.662 1.00 0.00 H new ATOM 1308 N PHE A 84 12.774 -4.445 3.402 1.00 0.00 N ATOM 1309 CA PHE A 84 12.696 -5.325 2.218 1.00 0.00 C ATOM 1310 C PHE A 84 13.777 -4.955 1.209 1.00 0.00 C ATOM 1311 O PHE A 84 14.374 -3.872 1.278 1.00 0.00 O ATOM 1312 CB PHE A 84 11.292 -5.251 1.556 1.00 0.00 C ATOM 1313 CG PHE A 84 10.156 -5.407 2.553 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.867 -6.649 3.096 1.00 0.00 C ATOM 1315 CD2 PHE A 84 9.391 -4.315 2.962 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.860 -6.803 4.011 1.00 0.00 C ATOM 1317 CE2 PHE A 84 8.379 -4.472 3.880 1.00 0.00 C ATOM 1318 CZ PHE A 84 8.114 -5.720 4.399 1.00 0.00 C ATOM 0 H PHE A 84 12.770 -3.451 3.174 1.00 0.00 H new ATOM 0 HA PHE A 84 12.860 -6.350 2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 84 11.189 -4.295 1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 84 11.212 -6.030 0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.445 -7.509 2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.595 -3.336 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.653 -7.778 4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.794 -3.620 4.193 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.315 -5.846 5.115 1.00 0.00 H new ATOM 1328 N GLN A 85 14.042 -5.898 0.301 1.00 0.00 N ATOM 1329 CA GLN A 85 14.952 -5.715 -0.846 1.00 0.00 C ATOM 1330 C GLN A 85 14.177 -5.311 -2.118 1.00 0.00 C ATOM 1331 O GLN A 85 14.767 -4.752 -3.052 1.00 0.00 O ATOM 1332 CB GLN A 85 15.740 -7.024 -1.084 1.00 0.00 C ATOM 1333 CG GLN A 85 14.870 -8.218 -1.515 1.00 0.00 C ATOM 1334 CD GLN A 85 15.597 -9.558 -1.429 1.00 0.00 C ATOM 1335 OE1 GLN A 85 16.250 -9.998 -2.381 1.00 0.00 O ATOM 1336 NE2 GLN A 85 15.473 -10.229 -0.289 1.00 0.00 N ATOM 0 H GLN A 85 13.626 -6.828 0.338 1.00 0.00 H new ATOM 0 HA GLN A 85 15.647 -4.907 -0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.496 -6.845 -1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.269 -7.287 -0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.980 -8.255 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.532 -8.061 -2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.926 -9.836 0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.925 -11.137 -0.180 1.00 0.00 H new ATOM 1345 N THR A 86 12.849 -5.570 -2.141 1.00 0.00 N ATOM 1346 CA THR A 86 12.006 -5.298 -3.319 1.00 0.00 C ATOM 1347 C THR A 86 10.519 -5.135 -2.929 1.00 0.00 C ATOM 1348 O THR A 86 10.094 -5.575 -1.847 1.00 0.00 O ATOM 1349 CB THR A 86 12.160 -6.420 -4.403 1.00 0.00 C ATOM 1350 OG1 THR A 86 11.487 -6.035 -5.609 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.624 -7.782 -3.928 1.00 0.00 C ATOM 0 H THR A 86 12.341 -5.969 -1.352 1.00 0.00 H new ATOM 0 HA THR A 86 12.352 -4.356 -3.746 1.00 0.00 H new ATOM 0 HB THR A 86 13.228 -6.536 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.590 -6.741 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.756 -8.521 -4.718 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.171 -8.099 -3.040 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.564 -7.693 -3.689 1.00 0.00 H new ATOM 1359 N LEU A 87 9.749 -4.477 -3.830 1.00 0.00 N ATOM 1360 CA LEU A 87 8.297 -4.232 -3.663 1.00 0.00 C ATOM 1361 C LEU A 87 7.492 -5.546 -3.571 1.00 0.00 C ATOM 1362 O LEU A 87 6.485 -5.603 -2.865 1.00 0.00 O ATOM 1363 CB LEU A 87 7.761 -3.363 -4.833 1.00 0.00 C ATOM 1364 CG LEU A 87 8.326 -1.909 -4.913 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.890 -1.215 -6.216 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.908 -1.083 -3.669 1.00 0.00 C ATOM 0 H LEU A 87 10.123 -4.099 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 87 8.165 -3.699 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.985 -3.872 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.675 -3.307 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 87 9.414 -1.972 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.298 -0.205 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.261 -1.780 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.802 -1.168 -6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.314 -0.075 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.821 -1.033 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.295 -1.560 -2.769 1.00 0.00 H new ATOM 1378 N GLY A 88 7.937 -6.584 -4.308 1.00 0.00 N ATOM 1379 CA GLY A 88 7.329 -7.924 -4.223 1.00 0.00 C ATOM 1380 C GLY A 88 7.371 -8.509 -2.812 1.00 0.00 C ATOM 1381 O GLY A 88 6.405 -9.134 -2.361 1.00 0.00 O ATOM 0 H GLY A 88 8.713 -6.519 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.293 -7.869 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.849 -8.597 -4.905 1.00 0.00 H new ATOM 1385 N GLU A 89 8.492 -8.271 -2.110 1.00 0.00 N ATOM 1386 CA GLU A 89 8.715 -8.759 -0.733 1.00 0.00 C ATOM 1387 C GLU A 89 7.833 -7.963 0.251 1.00 0.00 C ATOM 1388 O GLU A 89 7.297 -8.516 1.218 1.00 0.00 O ATOM 1389 CB GLU A 89 10.222 -8.634 -0.366 1.00 0.00 C ATOM 1390 CG GLU A 89 10.650 -9.440 0.877 1.00 0.00 C ATOM 1391 CD GLU A 89 12.179 -9.567 1.018 1.00 0.00 C ATOM 1392 OE1 GLU A 89 12.850 -8.561 1.314 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.719 -10.677 0.806 1.00 0.00 O ATOM 0 H GLU A 89 9.274 -7.732 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 89 8.436 -9.811 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.818 -8.961 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.456 -7.583 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.247 -8.961 1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.212 -10.437 0.825 1.00 0.00 H new ATOM 1400 N LEU A 90 7.694 -6.652 -0.041 1.00 0.00 N ATOM 1401 CA LEU A 90 6.831 -5.713 0.703 1.00 0.00 C ATOM 1402 C LEU A 90 5.384 -6.251 0.774 1.00 0.00 C ATOM 1403 O LEU A 90 4.802 -6.380 1.857 1.00 0.00 O ATOM 1404 CB LEU A 90 6.924 -4.307 0.012 1.00 0.00 C ATOM 1405 CG LEU A 90 6.312 -3.061 0.751 1.00 0.00 C ATOM 1406 CD1 LEU A 90 6.906 -1.745 0.191 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.759 -3.010 0.683 1.00 0.00 C ATOM 0 H LEU A 90 8.189 -6.209 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 90 7.167 -5.612 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.978 -4.098 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.440 -4.384 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 90 6.583 -3.169 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.469 -0.896 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.986 -1.743 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.681 -1.668 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.400 -2.127 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.442 -2.963 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.345 -3.904 1.148 1.00 0.00 H new ATOM 1419 N ILE A 91 4.830 -6.567 -0.414 1.00 0.00 N ATOM 1420 CA ILE A 91 3.458 -7.096 -0.562 1.00 0.00 C ATOM 1421 C ILE A 91 3.341 -8.479 0.104 1.00 0.00 C ATOM 1422 O ILE A 91 2.311 -8.796 0.706 1.00 0.00 O ATOM 1423 CB ILE A 91 3.040 -7.181 -2.084 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.247 -5.803 -2.799 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.580 -7.676 -2.257 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.441 -4.649 -2.233 1.00 0.00 C ATOM 0 H ILE A 91 5.323 -6.462 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 91 2.776 -6.407 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 91 3.691 -7.916 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.305 -5.543 -2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.994 -5.918 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.334 -7.720 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.478 -8.669 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.900 -6.987 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.657 -3.742 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.378 -4.877 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.708 -4.497 -1.187 1.00 0.00 H new ATOM 1438 N GLY A 92 4.430 -9.268 -0.003 1.00 0.00 N ATOM 1439 CA GLY A 92 4.508 -10.608 0.590 1.00 0.00 C ATOM 1440 C GLY A 92 4.190 -10.627 2.084 1.00 0.00 C ATOM 1441 O GLY A 92 3.286 -11.348 2.525 1.00 0.00 O ATOM 0 H GLY A 92 5.275 -8.990 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.815 -11.269 0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.509 -11.009 0.434 1.00 0.00 H new ATOM 1445 N LEU A 93 4.917 -9.808 2.860 1.00 0.00 N ATOM 1446 CA LEU A 93 4.755 -9.735 4.322 1.00 0.00 C ATOM 1447 C LEU A 93 3.493 -8.941 4.721 1.00 0.00 C ATOM 1448 O LEU A 93 2.843 -9.271 5.706 1.00 0.00 O ATOM 1449 CB LEU A 93 6.027 -9.115 4.986 1.00 0.00 C ATOM 1450 CG LEU A 93 7.288 -10.033 5.129 1.00 0.00 C ATOM 1451 CD1 LEU A 93 6.993 -11.261 6.003 1.00 0.00 C ATOM 1452 CD2 LEU A 93 7.879 -10.431 3.757 1.00 0.00 C ATOM 0 H LEU A 93 5.632 -9.179 2.494 1.00 0.00 H new ATOM 0 HA LEU A 93 4.629 -10.754 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.314 -8.237 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.751 -8.765 5.981 1.00 0.00 H new ATOM 0 HG LEU A 93 8.053 -9.447 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.890 -11.876 6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.689 -10.935 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.191 -11.845 5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.751 -11.067 3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.129 -10.974 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.174 -9.533 3.214 1.00 0.00 H new ATOM 1464 N TYR A 94 3.152 -7.887 3.964 1.00 0.00 N ATOM 1465 CA TYR A 94 2.042 -6.967 4.334 1.00 0.00 C ATOM 1466 C TYR A 94 0.680 -7.409 3.778 1.00 0.00 C ATOM 1467 O TYR A 94 -0.328 -6.719 3.976 1.00 0.00 O ATOM 1468 CB TYR A 94 2.422 -5.499 3.969 1.00 0.00 C ATOM 1469 CG TYR A 94 3.362 -4.878 5.024 1.00 0.00 C ATOM 1470 CD1 TYR A 94 4.586 -5.474 5.342 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.995 -3.751 5.746 1.00 0.00 C ATOM 1472 CE1 TYR A 94 5.393 -4.970 6.342 1.00 0.00 C ATOM 1473 CE2 TYR A 94 3.802 -3.240 6.743 1.00 0.00 C ATOM 1474 CZ TYR A 94 5.000 -3.850 7.041 1.00 0.00 C ATOM 1475 OH TYR A 94 5.815 -3.345 8.042 1.00 0.00 O ATOM 0 H TYR A 94 3.622 -7.643 3.092 1.00 0.00 H new ATOM 0 HA TYR A 94 1.911 -7.012 5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.906 -5.480 2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.517 -4.897 3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.907 -6.347 4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.058 -3.263 5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 94 6.330 -5.453 6.576 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.493 -2.361 7.290 1.00 0.00 H new ATOM 0 HH TYR A 94 5.395 -2.552 8.437 1.00 0.00 H new ATOM 1485 N ALA A 95 0.642 -8.590 3.128 1.00 0.00 N ATOM 1486 CA ALA A 95 -0.618 -9.321 2.871 1.00 0.00 C ATOM 1487 C ALA A 95 -1.161 -9.966 4.175 1.00 0.00 C ATOM 1488 O ALA A 95 -2.265 -10.524 4.186 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.398 -10.387 1.780 1.00 0.00 C ATOM 0 H ALA A 95 1.473 -9.060 2.770 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.365 -8.611 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.331 -10.920 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.071 -9.903 0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.364 -11.093 2.110 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.361 -9.890 5.261 1.00 0.00 N ATOM 1496 CA GLN A 96 -0.753 -10.346 6.605 1.00 0.00 C ATOM 1497 C GLN A 96 -1.574 -9.247 7.329 1.00 0.00 C ATOM 1498 O GLN A 96 -1.116 -8.097 7.430 1.00 0.00 O ATOM 1499 CB GLN A 96 0.507 -10.681 7.452 1.00 0.00 C ATOM 1500 CG GLN A 96 1.369 -11.839 6.915 1.00 0.00 C ATOM 1501 CD GLN A 96 2.655 -12.051 7.733 1.00 0.00 C ATOM 1502 OE1 GLN A 96 3.229 -11.106 8.280 1.00 0.00 O ATOM 1503 NE2 GLN A 96 3.101 -13.289 7.838 1.00 0.00 N ATOM 0 H GLN A 96 0.583 -9.506 5.225 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.364 -11.242 6.495 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.128 -9.788 7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.189 -10.925 8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.782 -12.758 6.924 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.633 -11.639 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.605 -14.051 7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.941 -13.484 8.383 1.00 0.00 H new ATOM 1512 N PRO A 97 -2.809 -9.565 7.834 1.00 0.00 N ATOM 1513 CA PRO A 97 -3.557 -8.655 8.738 1.00 0.00 C ATOM 1514 C PRO A 97 -3.005 -8.715 10.179 1.00 0.00 C ATOM 1515 O PRO A 97 -2.068 -9.478 10.452 1.00 0.00 O ATOM 1516 CB PRO A 97 -5.004 -9.197 8.643 1.00 0.00 C ATOM 1517 CG PRO A 97 -4.839 -10.664 8.387 1.00 0.00 C ATOM 1518 CD PRO A 97 -3.586 -10.802 7.540 1.00 0.00 C ATOM 0 HA PRO A 97 -3.480 -7.603 8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.557 -9.015 9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.557 -8.713 7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.740 -11.215 9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.707 -11.070 7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.024 -11.698 7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.828 -10.878 6.480 1.00 0.00 H new ATOM 1526 N ASN A 98 -3.613 -7.920 11.083 1.00 0.00 N ATOM 1527 CA ASN A 98 -3.197 -7.813 12.500 1.00 0.00 C ATOM 1528 C ASN A 98 -1.683 -7.464 12.616 1.00 0.00 C ATOM 1529 O ASN A 98 -0.864 -8.293 13.045 1.00 0.00 O ATOM 1530 CB ASN A 98 -3.577 -9.114 13.287 1.00 0.00 C ATOM 1531 CG ASN A 98 -3.464 -8.966 14.807 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -2.410 -9.221 15.399 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -4.551 -8.574 15.459 1.00 0.00 N ATOM 0 H ASN A 98 -4.412 -7.330 10.851 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.741 -6.989 12.962 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -4.598 -9.397 13.033 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.930 -9.928 12.960 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -4.530 -8.477 16.474 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -5.408 -8.370 14.945 1.00 0.00 H new ATOM 1540 N GLN A 99 -1.338 -6.239 12.157 1.00 0.00 N ATOM 1541 CA GLN A 99 0.051 -5.701 12.169 1.00 0.00 C ATOM 1542 C GLN A 99 0.058 -4.211 11.729 1.00 0.00 C ATOM 1543 O GLN A 99 1.084 -3.670 11.296 1.00 0.00 O ATOM 1544 CB GLN A 99 0.993 -6.576 11.265 1.00 0.00 C ATOM 1545 CG GLN A 99 2.506 -6.322 11.467 1.00 0.00 C ATOM 1546 CD GLN A 99 3.382 -7.269 10.651 1.00 0.00 C ATOM 1547 OE1 GLN A 99 3.781 -8.325 11.132 1.00 0.00 O ATOM 1548 NE2 GLN A 99 3.662 -6.908 9.407 1.00 0.00 N ATOM 0 H GLN A 99 -2.017 -5.588 11.764 1.00 0.00 H new ATOM 0 HA GLN A 99 0.437 -5.749 13.187 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.786 -7.628 11.461 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.744 -6.391 10.220 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.737 -5.293 11.191 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.749 -6.430 12.524 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.312 -6.022 9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.227 -7.516 8.814 1.00 0.00 H new ATOM 1557 N GLY A 100 -1.099 -3.535 11.849 1.00 0.00 N ATOM 1558 CA GLY A 100 -1.207 -2.108 11.528 1.00 0.00 C ATOM 1559 C GLY A 100 -1.973 -1.860 10.235 1.00 0.00 C ATOM 1560 O GLY A 100 -2.467 -0.753 10.014 1.00 0.00 O ATOM 0 H GLY A 100 -1.971 -3.958 12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.706 -1.591 12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.208 -1.681 11.443 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.039 -2.886 9.369 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.773 -2.849 8.088 1.00 0.00 C ATOM 1566 C LEU A 101 -4.299 -2.841 8.336 1.00 0.00 C ATOM 1567 O LEU A 101 -4.823 -3.734 9.004 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.366 -4.084 7.209 1.00 0.00 C ATOM 1569 CG LEU A 101 -0.923 -4.107 6.595 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -0.720 -2.967 5.579 1.00 0.00 C ATOM 1571 CD2 LEU A 101 0.172 -4.101 7.684 1.00 0.00 C ATOM 0 H LEU A 101 -1.577 -3.779 9.540 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.511 -1.934 7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.484 -4.981 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.079 -4.159 6.388 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.825 -5.048 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.291 -3.015 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.440 -3.070 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.867 -2.007 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.154 -4.117 7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.076 -3.201 8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.059 -4.980 8.318 1.00 0.00 H new ATOM 1583 N VAL A 102 -4.987 -1.829 7.777 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.442 -1.628 7.933 1.00 0.00 C ATOM 1585 C VAL A 102 -7.273 -2.901 7.561 1.00 0.00 C ATOM 1586 O VAL A 102 -8.317 -3.166 8.166 1.00 0.00 O ATOM 1587 CB VAL A 102 -6.900 -0.361 7.108 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.711 -0.551 5.581 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -8.341 0.058 7.478 1.00 0.00 C ATOM 0 H VAL A 102 -4.543 -1.117 7.196 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.642 -1.448 8.989 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.244 0.463 7.390 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.040 0.347 5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.658 -0.731 5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.302 -1.403 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.627 0.933 6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.025 -0.762 7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.388 0.300 8.540 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.766 -3.704 6.601 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.408 -4.973 6.189 1.00 0.00 C ATOM 1601 C CYS A 103 -6.413 -5.949 5.557 1.00 0.00 C ATOM 1602 O CYS A 103 -6.834 -7.004 5.070 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.523 -4.677 5.170 1.00 0.00 C ATOM 1604 SG CYS A 103 -7.948 -3.853 3.663 1.00 0.00 S ATOM 0 H CYS A 103 -5.907 -3.494 6.093 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.813 -5.437 7.088 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.008 -5.614 4.896 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.279 -4.053 5.646 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.828 -4.387 3.277 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.109 -5.601 5.580 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.062 -6.277 4.776 1.00 0.00 C ATOM 1612 C ALA A 104 -4.265 -5.994 3.272 1.00 0.00 C ATOM 1613 O ALA A 104 -5.170 -5.246 2.875 1.00 0.00 O ATOM 1614 CB ALA A 104 -3.972 -7.789 5.066 1.00 0.00 C ATOM 0 H ALA A 104 -4.749 -4.841 6.158 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.102 -5.857 5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.190 -8.232 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.736 -7.944 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.927 -8.261 4.835 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.385 -6.558 2.443 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.453 -6.408 0.987 1.00 0.00 C ATOM 1622 C LEU A 105 -4.314 -7.539 0.390 1.00 0.00 C ATOM 1623 O LEU A 105 -3.811 -8.639 0.122 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.005 -6.384 0.433 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.053 -5.359 1.141 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.343 -5.367 0.516 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.651 -3.934 1.185 1.00 0.00 C ATOM 0 H LEU A 105 -2.604 -7.132 2.762 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.934 -5.472 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.577 -7.382 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.041 -6.152 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.952 -5.686 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.976 -4.645 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.778 -6.362 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.271 -5.100 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.954 -3.262 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.828 -3.582 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.593 -3.952 1.732 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.628 -7.259 0.253 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.640 -8.243 -0.188 1.00 0.00 C ATOM 1641 C LEU A 106 -6.870 -8.167 -1.716 1.00 0.00 C ATOM 1642 O LEU A 106 -6.465 -9.067 -2.459 1.00 0.00 O ATOM 1643 CB LEU A 106 -7.980 -8.004 0.579 1.00 0.00 C ATOM 1644 CG LEU A 106 -7.910 -8.042 2.135 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -9.296 -7.751 2.761 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -7.312 -9.379 2.647 1.00 0.00 C ATOM 0 H LEU A 106 -6.019 -6.337 0.447 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.269 -9.242 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.375 -7.033 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.698 -8.756 0.252 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.234 -7.250 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.219 -7.784 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.635 -6.763 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.012 -8.502 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.279 -9.369 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.934 -10.208 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.302 -9.500 2.254 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.484 -7.058 -2.163 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.922 -6.862 -3.563 1.00 0.00 C ATOM 1660 C LEU A 107 -6.927 -5.909 -4.239 1.00 0.00 C ATOM 1661 O LEU A 107 -6.653 -4.863 -3.671 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.361 -6.235 -3.636 1.00 0.00 C ATOM 1663 CG LEU A 107 -10.585 -7.156 -3.313 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.570 -7.681 -1.865 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -11.919 -6.422 -3.628 1.00 0.00 C ATOM 0 H LEU A 107 -7.694 -6.263 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.953 -7.830 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.391 -5.388 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.500 -5.836 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.504 -8.031 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.442 -8.314 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.663 -8.262 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.595 -6.840 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -12.758 -7.078 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.988 -5.518 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.947 -6.155 -4.684 1.00 0.00 H new ATOM 1677 N PRO A 108 -6.339 -6.246 -5.433 1.00 0.00 N ATOM 1678 CA PRO A 108 -5.541 -5.273 -6.242 1.00 0.00 C ATOM 1679 C PRO A 108 -6.425 -4.074 -6.740 1.00 0.00 C ATOM 1680 O PRO A 108 -7.062 -3.399 -5.916 1.00 0.00 O ATOM 1681 CB PRO A 108 -4.976 -6.168 -7.391 1.00 0.00 C ATOM 1682 CG PRO A 108 -5.072 -7.567 -6.867 1.00 0.00 C ATOM 1683 CD PRO A 108 -6.343 -7.587 -6.059 1.00 0.00 C ATOM 0 HA PRO A 108 -4.746 -4.775 -5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -5.554 -6.048 -8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.945 -5.904 -7.628 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.108 -8.293 -7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -4.208 -7.820 -6.252 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -7.221 -7.741 -6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.339 -8.383 -5.315 1.00 0.00 H new ATOM 1691 N VAL A 109 -6.481 -3.806 -8.071 1.00 0.00 N ATOM 1692 CA VAL A 109 -7.339 -2.737 -8.651 1.00 0.00 C ATOM 1693 C VAL A 109 -7.904 -3.237 -10.000 1.00 0.00 C ATOM 1694 O VAL A 109 -7.132 -3.337 -10.977 1.00 0.00 O ATOM 1695 CB VAL A 109 -6.590 -1.349 -8.846 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -7.536 -0.293 -9.492 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -6.012 -0.820 -7.508 1.00 0.00 C ATOM 1698 OXT VAL A 109 -9.105 -3.564 -10.072 1.00 0.00 O ATOM 0 H VAL A 109 -5.939 -4.319 -8.767 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.141 -2.539 -7.939 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.753 -1.522 -9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.000 0.648 -9.615 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.870 -0.651 -10.466 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.401 -0.137 -8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.507 0.131 -7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -6.822 -0.676 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.300 -1.542 -7.109 1.00 0.00 H new