USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=16 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 54 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Set 2.1: A 51 CYS SG : rot 170:sc= -2.11 USER MOD Set 2.2: A 60 THR OG1 : rot -72:sc= 0 USER MOD Single : A 12 SER OG : rot 34:sc= 0.0924 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -4.02! C(o=-4!,f=-7.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -7:sc= 0.951 USER MOD Single : A 41 SER OG : rot -170:sc=-0.00959 USER MOD Single : A 43 SER OG : rot 86:sc= 0.113 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0054 X(o=-0.0054,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 0:sc= -0.171 USER MOD Single : A 74 GLN : amide:sc= -0.0556 K(o=-0.056,f=-0.65) USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.0041 USER MOD Single : A 76 SER OG : rot 9:sc= 0.799 USER MOD Single : A 77 GLN : amide:sc= -0.553 K(o=-0.55,f=-1.9) USER MOD Single : A 85 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.43!) USER MOD Single : A 86 THR OG1 : rot -111:sc= -0.775 USER MOD Single : A 94 TYR OH : rot 165:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.22) USER MOD Single : A 98 ASN : amide:sc= -3.42! C(o=-3.4!,f=-12!) USER MOD Single : A 99 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.3) USER MOD Single : A 103 CYS SG : rot 53:sc= -3! USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -1.123 -4.770 -12.976 1.00 0.00 N ATOM 182 CA SER A 12 0.076 -4.086 -12.456 1.00 0.00 C ATOM 183 C SER A 12 -0.345 -3.016 -11.426 1.00 0.00 C ATOM 184 O SER A 12 -0.911 -1.983 -11.800 1.00 0.00 O ATOM 185 CB SER A 12 0.934 -3.470 -13.601 1.00 0.00 C ATOM 186 OG SER A 12 1.231 -4.437 -14.594 1.00 0.00 O ATOM 0 HA SER A 12 0.707 -4.823 -11.960 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.398 -2.634 -14.052 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.861 -3.070 -13.190 1.00 0.00 H new ATOM 0 HG SER A 12 0.481 -5.063 -14.676 1.00 0.00 H new ATOM 192 N TRP A 13 -0.074 -3.251 -10.126 1.00 0.00 N ATOM 193 CA TRP A 13 -0.477 -2.318 -9.050 1.00 0.00 C ATOM 194 C TRP A 13 0.577 -1.208 -8.866 1.00 0.00 C ATOM 195 O TRP A 13 0.367 -0.279 -8.092 1.00 0.00 O ATOM 196 CB TRP A 13 -0.740 -3.089 -7.705 1.00 0.00 C ATOM 197 CG TRP A 13 0.193 -4.264 -7.423 1.00 0.00 C ATOM 198 CD1 TRP A 13 -0.140 -5.594 -7.476 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.595 -4.231 -7.068 1.00 0.00 C ATOM 200 NE1 TRP A 13 0.944 -6.369 -7.173 1.00 0.00 N ATOM 201 CE2 TRP A 13 2.018 -5.568 -6.930 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.532 -3.216 -6.866 1.00 0.00 C ATOM 203 CZ2 TRP A 13 3.331 -5.913 -6.604 1.00 0.00 C ATOM 204 CZ3 TRP A 13 3.833 -3.555 -6.529 1.00 0.00 C ATOM 205 CH2 TRP A 13 4.221 -4.895 -6.409 1.00 0.00 C ATOM 0 H TRP A 13 0.422 -4.078 -9.794 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.413 -1.843 -9.344 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.662 -2.381 -6.880 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.766 -3.457 -7.713 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.120 -5.975 -7.722 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.948 -7.388 -7.135 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.247 -2.180 -6.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.632 -6.946 -6.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.558 -2.774 -6.356 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.245 -5.129 -6.157 1.00 0.00 H new ATOM 216 N TYR A 14 1.670 -1.254 -9.651 1.00 0.00 N ATOM 217 CA TYR A 14 2.812 -0.344 -9.477 1.00 0.00 C ATOM 218 C TYR A 14 2.799 0.666 -10.622 1.00 0.00 C ATOM 219 O TYR A 14 2.985 0.294 -11.784 1.00 0.00 O ATOM 220 CB TYR A 14 4.175 -1.085 -9.428 1.00 0.00 C ATOM 221 CG TYR A 14 5.374 -0.127 -9.293 1.00 0.00 C ATOM 222 CD1 TYR A 14 5.489 0.715 -8.183 1.00 0.00 C ATOM 223 CD2 TYR A 14 6.365 -0.041 -10.274 1.00 0.00 C ATOM 224 CE1 TYR A 14 6.538 1.599 -8.059 1.00 0.00 C ATOM 225 CE2 TYR A 14 7.421 0.841 -10.151 1.00 0.00 C ATOM 226 CZ TYR A 14 7.502 1.658 -9.041 1.00 0.00 C ATOM 227 OH TYR A 14 8.545 2.547 -8.924 1.00 0.00 O ATOM 0 H TYR A 14 1.784 -1.918 -10.417 1.00 0.00 H new ATOM 0 HA TYR A 14 2.705 0.156 -8.514 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.175 -1.780 -8.588 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.292 -1.680 -10.334 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.740 0.671 -7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.304 -0.676 -11.145 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.604 2.244 -7.195 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.179 0.891 -10.919 1.00 0.00 H new ATOM 0 HH TYR A 14 9.137 2.461 -9.700 1.00 0.00 H new ATOM 237 N HIS A 15 2.560 1.929 -10.277 1.00 0.00 N ATOM 238 CA HIS A 15 2.451 3.041 -11.223 1.00 0.00 C ATOM 239 C HIS A 15 3.169 4.262 -10.634 1.00 0.00 C ATOM 240 O HIS A 15 2.705 4.866 -9.661 1.00 0.00 O ATOM 241 CB HIS A 15 0.952 3.350 -11.514 1.00 0.00 C ATOM 242 CG HIS A 15 0.052 3.092 -10.335 1.00 0.00 C ATOM 243 ND1 HIS A 15 0.109 3.835 -9.182 1.00 0.00 N ATOM 244 CD2 HIS A 15 -0.866 2.123 -10.106 1.00 0.00 C ATOM 245 CE1 HIS A 15 -0.728 3.337 -8.304 1.00 0.00 C ATOM 246 NE2 HIS A 15 -1.330 2.301 -8.842 1.00 0.00 N ATOM 0 H HIS A 15 2.433 2.217 -9.307 1.00 0.00 H new ATOM 0 HA HIS A 15 2.922 2.777 -12.170 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.855 4.393 -11.815 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.620 2.743 -12.356 1.00 0.00 H new ATOM 0 HD1 HIS A 15 0.708 4.647 -9.032 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.172 1.353 -10.799 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.894 3.715 -7.306 1.00 0.00 H new ATOM 255 N ARG A 16 4.303 4.616 -11.237 1.00 0.00 N ATOM 256 CA ARG A 16 5.109 5.790 -10.860 1.00 0.00 C ATOM 257 C ARG A 16 4.600 7.066 -11.598 1.00 0.00 C ATOM 258 O ARG A 16 5.335 8.040 -11.753 1.00 0.00 O ATOM 259 CB ARG A 16 6.622 5.474 -11.141 1.00 0.00 C ATOM 260 CG ARG A 16 6.957 4.875 -12.547 1.00 0.00 C ATOM 261 CD ARG A 16 6.876 5.899 -13.690 1.00 0.00 C ATOM 262 NE ARG A 16 7.063 5.308 -15.020 1.00 0.00 N ATOM 263 CZ ARG A 16 6.878 5.966 -16.172 1.00 0.00 C ATOM 264 NH1 ARG A 16 6.455 7.228 -16.186 1.00 0.00 N ATOM 265 NH2 ARG A 16 7.097 5.346 -17.316 1.00 0.00 N ATOM 0 H ARG A 16 4.699 4.090 -12.016 1.00 0.00 H new ATOM 0 HA ARG A 16 5.004 6.001 -9.796 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.192 6.395 -11.017 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.973 4.777 -10.380 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.961 4.451 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.270 4.055 -12.756 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.906 6.395 -13.655 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.633 6.667 -13.533 1.00 0.00 H new ATOM 0 HE ARG A 16 7.353 4.331 -15.071 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.265 7.712 -15.308 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.321 7.711 -17.074 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.405 4.373 -17.318 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.959 5.839 -18.198 1.00 0.00 H new ATOM 279 N ASP A 17 3.301 7.062 -11.951 1.00 0.00 N ATOM 280 CA ASP A 17 2.731 7.982 -12.957 1.00 0.00 C ATOM 281 C ASP A 17 1.196 8.090 -12.806 1.00 0.00 C ATOM 282 O ASP A 17 0.491 8.442 -13.756 1.00 0.00 O ATOM 283 CB ASP A 17 3.148 7.458 -14.375 1.00 0.00 C ATOM 284 CG ASP A 17 2.892 8.440 -15.540 1.00 0.00 C ATOM 285 OD1 ASP A 17 3.637 9.435 -15.669 1.00 0.00 O ATOM 286 OD2 ASP A 17 1.972 8.200 -16.359 1.00 0.00 O ATOM 0 H ASP A 17 2.616 6.422 -11.548 1.00 0.00 H new ATOM 0 HA ASP A 17 3.119 8.991 -12.814 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.209 7.211 -14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.609 6.532 -14.576 1.00 0.00 H new ATOM 291 N LEU A 18 0.670 7.832 -11.591 1.00 0.00 N ATOM 292 CA LEU A 18 -0.792 7.869 -11.340 1.00 0.00 C ATOM 293 C LEU A 18 -1.191 9.087 -10.479 1.00 0.00 C ATOM 294 O LEU A 18 -2.151 9.784 -10.830 1.00 0.00 O ATOM 295 CB LEU A 18 -1.290 6.541 -10.702 1.00 0.00 C ATOM 296 CG LEU A 18 -2.847 6.381 -10.572 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.579 6.658 -11.900 1.00 0.00 C ATOM 298 CD2 LEU A 18 -3.235 4.992 -10.038 1.00 0.00 C ATOM 0 H LEU A 18 1.229 7.597 -10.771 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.284 7.978 -12.306 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.908 5.710 -11.295 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.851 6.452 -9.708 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.166 7.133 -9.850 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.652 6.534 -11.757 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.372 7.678 -12.224 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.231 5.958 -12.660 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.320 4.921 -9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.868 4.225 -10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.792 4.844 -9.053 1.00 0.00 H new ATOM 310 N SER A 19 -0.469 9.296 -9.347 1.00 0.00 N ATOM 311 CA SER A 19 -0.707 10.409 -8.373 1.00 0.00 C ATOM 312 C SER A 19 -1.883 10.049 -7.443 1.00 0.00 C ATOM 313 O SER A 19 -2.759 9.281 -7.845 1.00 0.00 O ATOM 314 CB SER A 19 -0.915 11.800 -9.046 1.00 0.00 C ATOM 315 OG SER A 19 -1.040 12.834 -8.076 1.00 0.00 O ATOM 0 H SER A 19 0.307 8.691 -9.076 1.00 0.00 H new ATOM 0 HA SER A 19 0.203 10.513 -7.782 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.074 12.017 -9.704 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.809 11.774 -9.669 1.00 0.00 H new ATOM 0 HG SER A 19 -1.168 13.694 -8.529 1.00 0.00 H new ATOM 321 N ARG A 20 -1.911 10.608 -6.201 1.00 0.00 N ATOM 322 CA ARG A 20 -2.849 10.145 -5.148 1.00 0.00 C ATOM 323 C ARG A 20 -4.302 10.398 -5.542 1.00 0.00 C ATOM 324 O ARG A 20 -5.158 9.561 -5.271 1.00 0.00 O ATOM 325 CB ARG A 20 -2.580 10.774 -3.749 1.00 0.00 C ATOM 326 CG ARG A 20 -3.536 10.234 -2.645 1.00 0.00 C ATOM 327 CD ARG A 20 -3.332 10.857 -1.259 1.00 0.00 C ATOM 328 NE ARG A 20 -4.376 10.410 -0.306 1.00 0.00 N ATOM 329 CZ ARG A 20 -4.381 10.645 1.016 1.00 0.00 C ATOM 330 NH1 ARG A 20 -3.383 11.300 1.604 1.00 0.00 N ATOM 331 NH2 ARG A 20 -5.384 10.195 1.754 1.00 0.00 N ATOM 0 H ARG A 20 -1.300 11.371 -5.910 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.670 9.073 -5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.549 10.573 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.687 11.857 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.565 10.408 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.405 9.155 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.348 10.585 -0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.353 11.944 -1.340 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.158 9.878 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.595 11.634 1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.406 11.468 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.145 9.674 1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.396 10.369 2.759 1.00 0.00 H new ATOM 345 N ALA A 21 -4.564 11.552 -6.181 1.00 0.00 N ATOM 346 CA ALA A 21 -5.913 11.933 -6.626 1.00 0.00 C ATOM 347 C ALA A 21 -6.553 10.806 -7.448 1.00 0.00 C ATOM 348 O ALA A 21 -7.604 10.295 -7.075 1.00 0.00 O ATOM 349 CB ALA A 21 -5.852 13.253 -7.418 1.00 0.00 C ATOM 0 H ALA A 21 -3.848 12.244 -6.402 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.544 12.093 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.855 13.528 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.448 14.041 -6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.210 13.125 -8.289 1.00 0.00 H new ATOM 355 N ALA A 22 -5.855 10.368 -8.502 1.00 0.00 N ATOM 356 CA ALA A 22 -6.343 9.301 -9.396 1.00 0.00 C ATOM 357 C ALA A 22 -6.129 7.882 -8.803 1.00 0.00 C ATOM 358 O ALA A 22 -6.805 6.944 -9.215 1.00 0.00 O ATOM 359 CB ALA A 22 -5.679 9.428 -10.777 1.00 0.00 C ATOM 0 H ALA A 22 -4.941 10.738 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.420 9.430 -9.503 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.045 8.636 -11.431 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.923 10.398 -11.210 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.598 9.340 -10.670 1.00 0.00 H new ATOM 365 N ALA A 23 -5.169 7.723 -7.858 1.00 0.00 N ATOM 366 CA ALA A 23 -4.858 6.407 -7.220 1.00 0.00 C ATOM 367 C ALA A 23 -5.934 6.007 -6.198 1.00 0.00 C ATOM 368 O ALA A 23 -6.518 4.923 -6.276 1.00 0.00 O ATOM 369 CB ALA A 23 -3.463 6.447 -6.551 1.00 0.00 C ATOM 0 H ALA A 23 -4.591 8.491 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.850 5.651 -8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.252 5.481 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.705 6.664 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.448 7.224 -5.786 1.00 0.00 H new ATOM 375 N GLU A 24 -6.136 6.892 -5.225 1.00 0.00 N ATOM 376 CA GLU A 24 -7.200 6.806 -4.210 1.00 0.00 C ATOM 377 C GLU A 24 -8.598 6.748 -4.867 1.00 0.00 C ATOM 378 O GLU A 24 -9.482 6.025 -4.401 1.00 0.00 O ATOM 379 CB GLU A 24 -7.046 8.044 -3.283 1.00 0.00 C ATOM 380 CG GLU A 24 -8.164 8.286 -2.262 1.00 0.00 C ATOM 381 CD GLU A 24 -7.890 9.516 -1.383 1.00 0.00 C ATOM 382 OE1 GLU A 24 -8.187 10.646 -1.824 1.00 0.00 O ATOM 383 OE2 GLU A 24 -7.361 9.367 -0.258 1.00 0.00 O ATOM 0 H GLU A 24 -5.548 7.718 -5.112 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.107 5.889 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.106 7.947 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.962 8.931 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.110 8.420 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.272 7.406 -1.629 1.00 0.00 H new ATOM 390 N GLU A 25 -8.763 7.501 -5.972 1.00 0.00 N ATOM 391 CA GLU A 25 -10.023 7.530 -6.739 1.00 0.00 C ATOM 392 C GLU A 25 -10.225 6.198 -7.490 1.00 0.00 C ATOM 393 O GLU A 25 -11.342 5.712 -7.596 1.00 0.00 O ATOM 394 CB GLU A 25 -10.054 8.718 -7.729 1.00 0.00 C ATOM 395 CG GLU A 25 -11.445 9.063 -8.291 1.00 0.00 C ATOM 396 CD GLU A 25 -12.423 9.586 -7.218 1.00 0.00 C ATOM 397 OE1 GLU A 25 -12.374 10.793 -6.891 1.00 0.00 O ATOM 398 OE2 GLU A 25 -13.228 8.794 -6.680 1.00 0.00 O ATOM 0 H GLU A 25 -8.033 8.101 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.842 7.664 -6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.653 9.599 -7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.388 8.494 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.337 9.815 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.871 8.176 -8.759 1.00 0.00 H new ATOM 405 N LEU A 26 -9.114 5.627 -8.021 1.00 0.00 N ATOM 406 CA LEU A 26 -9.112 4.279 -8.660 1.00 0.00 C ATOM 407 C LEU A 26 -9.673 3.232 -7.685 1.00 0.00 C ATOM 408 O LEU A 26 -10.512 2.421 -8.064 1.00 0.00 O ATOM 409 CB LEU A 26 -7.665 3.891 -9.143 1.00 0.00 C ATOM 410 CG LEU A 26 -7.478 2.651 -10.098 1.00 0.00 C ATOM 411 CD1 LEU A 26 -7.551 1.296 -9.367 1.00 0.00 C ATOM 412 CD2 LEU A 26 -8.459 2.704 -11.285 1.00 0.00 C ATOM 0 H LEU A 26 -8.200 6.080 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.755 4.307 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.244 4.760 -9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.059 3.715 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.463 2.724 -10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.414 0.487 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.767 1.247 -8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.524 1.194 -8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.304 1.835 -11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.483 2.702 -10.911 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.285 3.613 -11.860 1.00 0.00 H new ATOM 424 N LEU A 27 -9.239 3.311 -6.417 1.00 0.00 N ATOM 425 CA LEU A 27 -9.653 2.349 -5.375 1.00 0.00 C ATOM 426 C LEU A 27 -11.119 2.583 -4.982 1.00 0.00 C ATOM 427 O LEU A 27 -11.885 1.632 -4.849 1.00 0.00 O ATOM 428 CB LEU A 27 -8.738 2.450 -4.125 1.00 0.00 C ATOM 429 CG LEU A 27 -7.232 2.126 -4.353 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.448 2.214 -3.037 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.035 0.753 -5.045 1.00 0.00 C ATOM 0 H LEU A 27 -8.599 4.033 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.555 1.344 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.815 3.461 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.123 1.774 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.832 2.880 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.399 1.984 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.532 3.222 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.856 1.499 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.970 0.566 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.463 -0.033 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.533 0.759 -6.014 1.00 0.00 H new ATOM 443 N ALA A 28 -11.498 3.864 -4.841 1.00 0.00 N ATOM 444 CA ALA A 28 -12.830 4.272 -4.347 1.00 0.00 C ATOM 445 C ALA A 28 -13.947 3.994 -5.380 1.00 0.00 C ATOM 446 O ALA A 28 -15.060 3.602 -5.010 1.00 0.00 O ATOM 447 CB ALA A 28 -12.795 5.756 -3.949 1.00 0.00 C ATOM 0 H ALA A 28 -10.889 4.651 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.068 3.670 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.777 6.058 -3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.055 5.905 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.529 6.359 -4.817 1.00 0.00 H new ATOM 453 N ARG A 29 -13.637 4.194 -6.674 1.00 0.00 N ATOM 454 CA ARG A 29 -14.606 3.998 -7.775 1.00 0.00 C ATOM 455 C ARG A 29 -14.706 2.522 -8.173 1.00 0.00 C ATOM 456 O ARG A 29 -15.814 1.976 -8.271 1.00 0.00 O ATOM 457 CB ARG A 29 -14.224 4.861 -9.006 1.00 0.00 C ATOM 458 CG ARG A 29 -14.350 6.376 -8.766 1.00 0.00 C ATOM 459 CD ARG A 29 -14.121 7.207 -10.038 1.00 0.00 C ATOM 460 NE ARG A 29 -15.093 6.890 -11.105 1.00 0.00 N ATOM 461 CZ ARG A 29 -15.271 7.600 -12.228 1.00 0.00 C ATOM 462 NH1 ARG A 29 -14.579 8.709 -12.454 1.00 0.00 N ATOM 463 NH2 ARG A 29 -16.146 7.187 -13.125 1.00 0.00 N ATOM 0 H ARG A 29 -12.714 4.494 -6.988 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.583 4.319 -7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.198 4.632 -9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.860 4.581 -9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.342 6.594 -8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.630 6.679 -8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.189 8.267 -9.793 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.111 7.029 -10.407 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.676 6.063 -10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.898 9.034 -11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.728 9.237 -13.314 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.680 6.334 -12.961 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.288 7.721 -13.982 1.00 0.00 H new ATOM 477 N ALA A 30 -13.550 1.884 -8.417 1.00 0.00 N ATOM 478 CA ALA A 30 -13.496 0.465 -8.833 1.00 0.00 C ATOM 479 C ALA A 30 -13.991 -0.448 -7.690 1.00 0.00 C ATOM 480 O ALA A 30 -14.841 -1.315 -7.912 1.00 0.00 O ATOM 481 CB ALA A 30 -12.080 0.094 -9.276 1.00 0.00 C ATOM 0 H ALA A 30 -12.635 2.327 -8.334 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.159 0.319 -9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.056 -0.953 -9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.786 0.722 -10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.388 0.248 -8.448 1.00 0.00 H new ATOM 487 N GLY A 31 -13.469 -0.167 -6.477 1.00 0.00 N ATOM 488 CA GLY A 31 -13.932 -0.736 -5.198 1.00 0.00 C ATOM 489 C GLY A 31 -14.048 -2.264 -5.064 1.00 0.00 C ATOM 490 O GLY A 31 -14.766 -2.910 -5.828 1.00 0.00 O ATOM 0 H GLY A 31 -12.691 0.482 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.256 -0.387 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.912 -0.311 -4.984 1.00 0.00 H new ATOM 494 N ARG A 32 -13.386 -2.801 -4.026 1.00 0.00 N ATOM 495 CA ARG A 32 -13.567 -4.170 -3.501 1.00 0.00 C ATOM 496 C ARG A 32 -12.548 -4.320 -2.361 1.00 0.00 C ATOM 497 O ARG A 32 -11.367 -4.528 -2.623 1.00 0.00 O ATOM 498 CB ARG A 32 -13.397 -5.275 -4.581 1.00 0.00 C ATOM 499 CG ARG A 32 -13.646 -6.721 -4.076 1.00 0.00 C ATOM 500 CD ARG A 32 -13.937 -7.708 -5.221 1.00 0.00 C ATOM 501 NE ARG A 32 -12.926 -7.631 -6.290 1.00 0.00 N ATOM 502 CZ ARG A 32 -12.884 -8.389 -7.390 1.00 0.00 C ATOM 503 NH1 ARG A 32 -13.742 -9.380 -7.580 1.00 0.00 N ATOM 504 NH2 ARG A 32 -11.956 -8.148 -8.300 1.00 0.00 N ATOM 0 H ARG A 32 -12.682 -2.275 -3.508 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.590 -4.305 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.083 -5.069 -5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.387 -5.215 -4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.773 -7.063 -3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.486 -6.719 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.968 -8.723 -4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.922 -7.498 -5.638 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.189 -6.934 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.455 -9.579 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.690 -9.944 -8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.286 -7.393 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.910 -8.717 -9.145 1.00 0.00 H new ATOM 518 N ASP A 33 -13.020 -4.240 -1.096 1.00 0.00 N ATOM 519 CA ASP A 33 -12.181 -3.812 0.057 1.00 0.00 C ATOM 520 C ASP A 33 -10.993 -4.749 0.331 1.00 0.00 C ATOM 521 O ASP A 33 -11.068 -5.960 0.109 1.00 0.00 O ATOM 522 CB ASP A 33 -13.039 -3.630 1.338 1.00 0.00 C ATOM 523 CG ASP A 33 -13.994 -2.431 1.249 1.00 0.00 C ATOM 524 OD1 ASP A 33 -13.504 -1.301 1.031 1.00 0.00 O ATOM 525 OD2 ASP A 33 -15.228 -2.598 1.377 1.00 0.00 O ATOM 0 H ASP A 33 -13.982 -4.467 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.756 -2.849 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.617 -4.537 1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.380 -3.501 2.196 1.00 0.00 H new ATOM 530 N GLY A 34 -9.912 -4.155 0.864 1.00 0.00 N ATOM 531 CA GLY A 34 -8.587 -4.762 0.828 1.00 0.00 C ATOM 532 C GLY A 34 -7.853 -4.343 -0.441 1.00 0.00 C ATOM 533 O GLY A 34 -6.858 -4.973 -0.820 1.00 0.00 O ATOM 0 H GLY A 34 -9.940 -3.247 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.015 -4.458 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.675 -5.848 0.865 1.00 0.00 H new ATOM 537 N SER A 35 -8.365 -3.254 -1.071 1.00 0.00 N ATOM 538 CA SER A 35 -7.847 -2.703 -2.329 1.00 0.00 C ATOM 539 C SER A 35 -6.504 -2.030 -2.058 1.00 0.00 C ATOM 540 O SER A 35 -6.408 -1.244 -1.119 1.00 0.00 O ATOM 541 CB SER A 35 -8.841 -1.662 -2.908 1.00 0.00 C ATOM 542 OG SER A 35 -10.149 -2.184 -3.021 1.00 0.00 O ATOM 0 H SER A 35 -9.162 -2.733 -0.705 1.00 0.00 H new ATOM 0 HA SER A 35 -7.723 -3.509 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.857 -0.780 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.495 -1.337 -3.889 1.00 0.00 H new ATOM 0 HG SER A 35 -10.138 -3.141 -2.812 1.00 0.00 H new ATOM 548 N PHE A 36 -5.477 -2.336 -2.851 1.00 0.00 N ATOM 549 CA PHE A 36 -4.160 -1.696 -2.698 1.00 0.00 C ATOM 550 C PHE A 36 -3.520 -1.426 -4.059 1.00 0.00 C ATOM 551 O PHE A 36 -3.834 -2.083 -5.051 1.00 0.00 O ATOM 552 CB PHE A 36 -3.214 -2.564 -1.819 1.00 0.00 C ATOM 553 CG PHE A 36 -2.827 -3.925 -2.427 1.00 0.00 C ATOM 554 CD1 PHE A 36 -1.725 -4.052 -3.280 1.00 0.00 C ATOM 555 CD2 PHE A 36 -3.554 -5.074 -2.135 1.00 0.00 C ATOM 556 CE1 PHE A 36 -1.385 -5.269 -3.831 1.00 0.00 C ATOM 557 CE2 PHE A 36 -3.200 -6.295 -2.687 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.118 -6.392 -3.526 1.00 0.00 C ATOM 0 H PHE A 36 -5.526 -3.021 -3.605 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.315 -0.741 -2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.303 -1.998 -1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.694 -2.737 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.130 -3.181 -3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.404 -5.014 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.542 -5.341 -4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.780 -7.176 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.843 -7.348 -3.946 1.00 0.00 H new ATOM 568 N LEU A 37 -2.631 -0.435 -4.081 1.00 0.00 N ATOM 569 CA LEU A 37 -1.708 -0.192 -5.195 1.00 0.00 C ATOM 570 C LEU A 37 -0.509 0.636 -4.701 1.00 0.00 C ATOM 571 O LEU A 37 -0.622 1.391 -3.733 1.00 0.00 O ATOM 572 CB LEU A 37 -2.450 0.454 -6.427 1.00 0.00 C ATOM 573 CG LEU A 37 -3.547 1.536 -6.144 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.993 2.827 -5.522 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.382 1.843 -7.411 1.00 0.00 C ATOM 0 H LEU A 37 -2.528 0.232 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.318 -1.143 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.695 0.905 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.915 -0.351 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.205 1.097 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.809 3.529 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.512 2.596 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.264 3.273 -6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.133 2.598 -7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.726 2.215 -8.198 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.876 0.933 -7.751 1.00 0.00 H new ATOM 587 N VAL A 38 0.630 0.486 -5.378 1.00 0.00 N ATOM 588 CA VAL A 38 1.871 1.181 -5.040 1.00 0.00 C ATOM 589 C VAL A 38 2.069 2.291 -6.083 1.00 0.00 C ATOM 590 O VAL A 38 2.188 2.016 -7.278 1.00 0.00 O ATOM 591 CB VAL A 38 3.115 0.214 -4.998 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.424 0.987 -4.682 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.892 -0.933 -3.975 1.00 0.00 C ATOM 0 H VAL A 38 0.717 -0.130 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 38 1.792 1.597 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 38 3.221 -0.228 -5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.262 0.290 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.597 1.739 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.333 1.475 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.764 -1.586 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.744 -0.510 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.011 -1.508 -4.260 1.00 0.00 H new ATOM 603 N ARG A 39 2.068 3.546 -5.621 1.00 0.00 N ATOM 604 CA ARG A 39 2.206 4.721 -6.485 1.00 0.00 C ATOM 605 C ARG A 39 3.524 5.448 -6.208 1.00 0.00 C ATOM 606 O ARG A 39 4.246 5.159 -5.246 1.00 0.00 O ATOM 607 CB ARG A 39 1.013 5.723 -6.285 1.00 0.00 C ATOM 608 CG ARG A 39 0.865 6.300 -4.857 1.00 0.00 C ATOM 609 CD ARG A 39 0.039 7.607 -4.804 1.00 0.00 C ATOM 610 NE ARG A 39 0.714 8.708 -5.535 1.00 0.00 N ATOM 611 CZ ARG A 39 0.941 9.963 -5.071 1.00 0.00 C ATOM 612 NH1 ARG A 39 0.632 10.314 -3.828 1.00 0.00 N ATOM 613 NH2 ARG A 39 1.535 10.850 -5.860 1.00 0.00 N ATOM 0 H ARG A 39 1.971 3.775 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 39 2.197 4.364 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.135 6.551 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.086 5.216 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.391 5.554 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.856 6.489 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.947 7.433 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.115 7.899 -3.765 1.00 0.00 H new ATOM 0 HE ARG A 39 1.039 8.501 -6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.213 9.633 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.814 11.265 -3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.816 10.585 -6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.711 11.796 -5.522 1.00 0.00 H new ATOM 627 N ASP A 40 3.812 6.367 -7.117 1.00 0.00 N ATOM 628 CA ASP A 40 4.827 7.413 -6.972 1.00 0.00 C ATOM 629 C ASP A 40 4.593 8.228 -5.690 1.00 0.00 C ATOM 630 O ASP A 40 3.481 8.651 -5.448 1.00 0.00 O ATOM 631 CB ASP A 40 4.729 8.349 -8.219 1.00 0.00 C ATOM 632 CG ASP A 40 3.286 8.860 -8.511 1.00 0.00 C ATOM 633 OD1 ASP A 40 2.428 8.058 -8.982 1.00 0.00 O ATOM 634 OD2 ASP A 40 2.993 10.043 -8.250 1.00 0.00 O ATOM 0 H ASP A 40 3.328 6.411 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 40 5.816 6.961 -6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.385 9.207 -8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.098 7.813 -9.093 1.00 0.00 H new ATOM 639 N SER A 41 5.608 8.390 -4.830 1.00 0.00 N ATOM 640 CA SER A 41 5.550 9.450 -3.802 1.00 0.00 C ATOM 641 C SER A 41 5.790 10.800 -4.479 1.00 0.00 C ATOM 642 O SER A 41 6.602 10.893 -5.411 1.00 0.00 O ATOM 643 CB SER A 41 6.574 9.237 -2.683 1.00 0.00 C ATOM 644 OG SER A 41 6.383 7.993 -2.043 1.00 0.00 O ATOM 0 H SER A 41 6.456 7.823 -4.819 1.00 0.00 H new ATOM 0 HA SER A 41 4.565 9.420 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.582 9.285 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.490 10.041 -1.952 1.00 0.00 H new ATOM 0 HG SER A 41 6.941 7.950 -1.238 1.00 0.00 H new ATOM 650 N GLU A 42 5.105 11.841 -4.003 1.00 0.00 N ATOM 651 CA GLU A 42 5.221 13.184 -4.567 1.00 0.00 C ATOM 652 C GLU A 42 6.529 13.795 -4.026 1.00 0.00 C ATOM 653 O GLU A 42 6.522 14.475 -2.995 1.00 0.00 O ATOM 654 CB GLU A 42 3.950 14.018 -4.207 1.00 0.00 C ATOM 655 CG GLU A 42 3.707 15.301 -5.049 1.00 0.00 C ATOM 656 CD GLU A 42 4.687 16.457 -4.756 1.00 0.00 C ATOM 657 OE1 GLU A 42 4.519 17.134 -3.719 1.00 0.00 O ATOM 658 OE2 GLU A 42 5.630 16.683 -5.552 1.00 0.00 O ATOM 0 H GLU A 42 4.457 11.776 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 42 5.271 13.172 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.077 13.372 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.015 14.305 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.774 15.044 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.690 15.650 -4.870 1.00 0.00 H new ATOM 665 N SER A 43 7.643 13.451 -4.712 1.00 0.00 N ATOM 666 CA SER A 43 9.028 13.821 -4.366 1.00 0.00 C ATOM 667 C SER A 43 9.497 13.137 -3.046 1.00 0.00 C ATOM 668 O SER A 43 10.197 12.112 -3.080 1.00 0.00 O ATOM 669 CB SER A 43 9.211 15.366 -4.330 1.00 0.00 C ATOM 670 OG SER A 43 8.745 15.968 -5.534 1.00 0.00 O ATOM 0 H SER A 43 7.595 12.883 -5.558 1.00 0.00 H new ATOM 0 HA SER A 43 9.676 13.444 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.668 15.779 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.264 15.607 -4.184 1.00 0.00 H new ATOM 0 HG SER A 43 7.782 16.138 -5.464 1.00 0.00 H new ATOM 676 N VAL A 44 8.995 13.673 -1.918 1.00 0.00 N ATOM 677 CA VAL A 44 9.447 13.418 -0.535 1.00 0.00 C ATOM 678 C VAL A 44 10.989 13.299 -0.393 1.00 0.00 C ATOM 679 O VAL A 44 11.648 14.308 -0.107 1.00 0.00 O ATOM 680 CB VAL A 44 8.628 12.290 0.231 1.00 0.00 C ATOM 681 CG1 VAL A 44 7.142 12.711 0.360 1.00 0.00 C ATOM 682 CG2 VAL A 44 8.740 10.886 -0.409 1.00 0.00 C ATOM 0 H VAL A 44 8.218 14.334 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 44 9.191 14.330 0.005 1.00 0.00 H new ATOM 0 HB VAL A 44 9.080 12.201 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.588 11.933 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.076 13.645 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.716 12.852 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.154 10.174 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.361 10.920 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.784 10.573 -0.420 1.00 0.00 H new ATOM 692 N ALA A 45 11.568 12.110 -0.628 1.00 0.00 N ATOM 693 CA ALA A 45 13.003 11.840 -0.447 1.00 0.00 C ATOM 694 C ALA A 45 13.412 10.637 -1.328 1.00 0.00 C ATOM 695 O ALA A 45 14.359 9.902 -1.005 1.00 0.00 O ATOM 696 CB ALA A 45 13.289 11.550 1.036 1.00 0.00 C ATOM 0 H ALA A 45 11.044 11.298 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 45 13.586 12.710 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.352 11.350 1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.004 12.413 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.714 10.681 1.354 1.00 0.00 H new ATOM 702 N GLY A 46 12.703 10.468 -2.459 1.00 0.00 N ATOM 703 CA GLY A 46 12.900 9.325 -3.361 1.00 0.00 C ATOM 704 C GLY A 46 12.273 8.043 -2.825 1.00 0.00 C ATOM 705 O GLY A 46 12.924 6.996 -2.761 1.00 0.00 O ATOM 0 H GLY A 46 11.981 11.118 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.469 9.557 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.968 9.167 -3.514 1.00 0.00 H new ATOM 709 N ALA A 47 11.000 8.137 -2.416 1.00 0.00 N ATOM 710 CA ALA A 47 10.256 7.012 -1.806 1.00 0.00 C ATOM 711 C ALA A 47 9.136 6.463 -2.712 1.00 0.00 C ATOM 712 O ALA A 47 8.884 6.969 -3.816 1.00 0.00 O ATOM 713 CB ALA A 47 9.689 7.447 -0.451 1.00 0.00 C ATOM 0 H ALA A 47 10.452 8.993 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 47 10.963 6.194 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.141 6.618 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.506 7.741 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.016 8.292 -0.593 1.00 0.00 H new ATOM 719 N PHE A 48 8.497 5.394 -2.208 1.00 0.00 N ATOM 720 CA PHE A 48 7.317 4.743 -2.806 1.00 0.00 C ATOM 721 C PHE A 48 6.139 4.941 -1.835 1.00 0.00 C ATOM 722 O PHE A 48 6.357 5.199 -0.641 1.00 0.00 O ATOM 723 CB PHE A 48 7.588 3.226 -3.029 1.00 0.00 C ATOM 724 CG PHE A 48 8.866 2.939 -3.817 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.863 2.950 -5.209 1.00 0.00 C ATOM 726 CD2 PHE A 48 10.072 2.683 -3.162 1.00 0.00 C ATOM 727 CE1 PHE A 48 10.022 2.717 -5.919 1.00 0.00 C ATOM 728 CE2 PHE A 48 11.232 2.446 -3.877 1.00 0.00 C ATOM 729 CZ PHE A 48 11.208 2.464 -5.254 1.00 0.00 C ATOM 0 H PHE A 48 8.797 4.943 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 48 7.090 5.182 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.650 2.731 -2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.740 2.788 -3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.942 3.143 -5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.100 2.670 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.003 2.732 -6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.157 2.247 -3.356 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.114 2.281 -5.813 1.00 0.00 H new ATOM 739 N ALA A 49 4.905 4.862 -2.345 1.00 0.00 N ATOM 740 CA ALA A 49 3.681 5.008 -1.535 1.00 0.00 C ATOM 741 C ALA A 49 2.729 3.828 -1.798 1.00 0.00 C ATOM 742 O ALA A 49 2.707 3.299 -2.892 1.00 0.00 O ATOM 743 CB ALA A 49 3.010 6.356 -1.843 1.00 0.00 C ATOM 0 H ALA A 49 4.722 4.694 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 49 3.940 4.995 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.106 6.458 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.698 7.168 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.749 6.399 -2.900 1.00 0.00 H new ATOM 749 N LEU A 50 1.970 3.410 -0.774 1.00 0.00 N ATOM 750 CA LEU A 50 0.990 2.304 -0.860 1.00 0.00 C ATOM 751 C LEU A 50 -0.369 2.818 -0.378 1.00 0.00 C ATOM 752 O LEU A 50 -0.536 3.123 0.794 1.00 0.00 O ATOM 753 CB LEU A 50 1.444 1.089 0.006 1.00 0.00 C ATOM 754 CG LEU A 50 0.465 -0.131 0.089 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.260 -0.810 -1.283 1.00 0.00 C ATOM 756 CD2 LEU A 50 0.926 -1.143 1.167 1.00 0.00 C ATOM 0 H LEU A 50 2.016 3.833 0.153 1.00 0.00 H new ATOM 0 HA LEU A 50 0.917 1.966 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.397 0.732 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.628 1.445 1.020 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.508 0.256 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.426 -1.650 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.157 -0.090 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.218 -1.170 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.228 -1.980 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.921 -1.511 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.953 -0.651 2.139 1.00 0.00 H new ATOM 768 N CYS A 51 -1.336 2.896 -1.282 1.00 0.00 N ATOM 769 CA CYS A 51 -2.680 3.402 -0.995 1.00 0.00 C ATOM 770 C CYS A 51 -3.604 2.186 -0.817 1.00 0.00 C ATOM 771 O CYS A 51 -3.667 1.336 -1.708 1.00 0.00 O ATOM 772 CB CYS A 51 -3.134 4.311 -2.161 1.00 0.00 C ATOM 773 SG CYS A 51 -4.754 5.057 -1.964 1.00 0.00 S ATOM 0 H CYS A 51 -1.211 2.606 -2.252 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.705 4.001 -0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.399 5.106 -2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.131 3.724 -3.080 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.934 5.954 -2.887 1.00 0.00 H new ATOM 779 N VAL A 52 -4.280 2.085 0.348 1.00 0.00 N ATOM 780 CA VAL A 52 -5.119 0.919 0.716 1.00 0.00 C ATOM 781 C VAL A 52 -6.519 1.394 1.155 1.00 0.00 C ATOM 782 O VAL A 52 -6.632 2.246 2.043 1.00 0.00 O ATOM 783 CB VAL A 52 -4.473 0.065 1.882 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.319 -1.203 2.209 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.003 -0.309 1.564 1.00 0.00 C ATOM 0 H VAL A 52 -4.260 2.812 1.064 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.194 0.285 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.470 0.692 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.841 -1.761 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.320 -0.903 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.388 -1.833 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.591 -0.895 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.967 -0.896 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.416 0.600 1.436 1.00 0.00 H new ATOM 795 N LEU A 53 -7.572 0.845 0.526 1.00 0.00 N ATOM 796 CA LEU A 53 -8.979 1.131 0.857 1.00 0.00 C ATOM 797 C LEU A 53 -9.586 -0.007 1.705 1.00 0.00 C ATOM 798 O LEU A 53 -9.328 -1.195 1.455 1.00 0.00 O ATOM 799 CB LEU A 53 -9.801 1.302 -0.454 1.00 0.00 C ATOM 800 CG LEU A 53 -11.356 1.433 -0.296 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.762 2.673 0.530 1.00 0.00 C ATOM 802 CD2 LEU A 53 -12.061 1.406 -1.663 1.00 0.00 C ATOM 0 H LEU A 53 -7.468 0.179 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.017 2.053 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.435 2.189 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.595 0.448 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.691 0.562 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.848 2.717 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.328 2.604 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.397 3.574 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.137 1.499 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.704 2.236 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.842 0.465 -2.167 1.00 0.00 H new ATOM 814 N TYR A 54 -10.402 0.394 2.699 1.00 0.00 N ATOM 815 CA TYR A 54 -11.202 -0.497 3.539 1.00 0.00 C ATOM 816 C TYR A 54 -12.392 0.295 4.108 1.00 0.00 C ATOM 817 O TYR A 54 -12.193 1.233 4.871 1.00 0.00 O ATOM 818 CB TYR A 54 -10.350 -1.083 4.688 1.00 0.00 C ATOM 819 CG TYR A 54 -11.136 -1.983 5.656 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.736 -3.166 5.214 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.263 -1.657 7.008 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.426 -3.986 6.088 1.00 0.00 C ATOM 823 CE2 TYR A 54 -11.954 -2.470 7.881 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.532 -3.633 7.420 1.00 0.00 C ATOM 825 OH TYR A 54 -13.213 -4.454 8.298 1.00 0.00 O ATOM 0 H TYR A 54 -10.521 1.378 2.941 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.565 -1.330 2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.529 -1.658 4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.906 -0.263 5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.659 -3.444 4.173 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.810 -0.749 7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.880 -4.899 5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.042 -2.197 8.922 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.193 -4.061 9.196 1.00 0.00 H new ATOM 835 N GLN A 55 -13.612 -0.111 3.708 1.00 0.00 N ATOM 836 CA GLN A 55 -14.902 0.445 4.173 1.00 0.00 C ATOM 837 C GLN A 55 -14.907 1.991 4.310 1.00 0.00 C ATOM 838 O GLN A 55 -14.886 2.518 5.430 1.00 0.00 O ATOM 839 CB GLN A 55 -15.338 -0.241 5.500 1.00 0.00 C ATOM 840 CG GLN A 55 -15.641 -1.750 5.377 1.00 0.00 C ATOM 841 CD GLN A 55 -16.101 -2.388 6.693 1.00 0.00 C ATOM 842 OE1 GLN A 55 -16.704 -1.730 7.546 1.00 0.00 O ATOM 843 NE2 GLN A 55 -15.833 -3.677 6.867 1.00 0.00 N ATOM 0 H GLN A 55 -13.733 -0.862 3.028 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.632 0.222 3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.551 -0.102 6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.226 0.264 5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.412 -1.898 4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.747 -2.265 5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.333 -4.196 6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.127 -4.148 7.723 1.00 0.00 H new ATOM 852 N LYS A 56 -14.904 2.692 3.159 1.00 0.00 N ATOM 853 CA LYS A 56 -14.965 4.178 3.085 1.00 0.00 C ATOM 854 C LYS A 56 -13.774 4.849 3.843 1.00 0.00 C ATOM 855 O LYS A 56 -13.860 5.998 4.300 1.00 0.00 O ATOM 856 CB LYS A 56 -16.360 4.667 3.610 1.00 0.00 C ATOM 857 CG LYS A 56 -16.727 6.137 3.279 1.00 0.00 C ATOM 858 CD LYS A 56 -18.107 6.539 3.849 1.00 0.00 C ATOM 859 CE LYS A 56 -18.466 8.001 3.559 1.00 0.00 C ATOM 860 NZ LYS A 56 -19.825 8.346 4.039 1.00 0.00 N ATOM 0 H LYS A 56 -14.859 2.246 2.243 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.862 4.486 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -17.131 4.018 3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.385 4.541 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.962 6.800 3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.729 6.274 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.873 5.890 3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.112 6.375 4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.736 8.655 4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.403 8.183 2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -20.027 9.343 3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -20.525 7.740 3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.878 8.197 5.067 1.00 0.00 H new ATOM 874 N HIS A 57 -12.644 4.124 3.929 1.00 0.00 N ATOM 875 CA HIS A 57 -11.421 4.603 4.603 1.00 0.00 C ATOM 876 C HIS A 57 -10.191 4.221 3.764 1.00 0.00 C ATOM 877 O HIS A 57 -9.793 3.056 3.716 1.00 0.00 O ATOM 878 CB HIS A 57 -11.332 3.996 6.031 1.00 0.00 C ATOM 879 CG HIS A 57 -10.122 4.394 6.841 1.00 0.00 C ATOM 880 ND1 HIS A 57 -10.161 5.341 7.839 1.00 0.00 N ATOM 881 CD2 HIS A 57 -8.848 3.929 6.827 1.00 0.00 C ATOM 882 CE1 HIS A 57 -8.973 5.441 8.401 1.00 0.00 C ATOM 883 NE2 HIS A 57 -8.159 4.595 7.802 1.00 0.00 N ATOM 0 H HIS A 57 -12.552 3.188 3.533 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.454 5.688 4.697 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.226 4.284 6.584 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.346 2.910 5.945 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.451 3.172 6.167 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.711 6.103 9.213 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.174 4.459 8.029 1.00 0.00 H new ATOM 892 N VAL A 58 -9.602 5.220 3.108 1.00 0.00 N ATOM 893 CA VAL A 58 -8.353 5.068 2.354 1.00 0.00 C ATOM 894 C VAL A 58 -7.194 5.585 3.218 1.00 0.00 C ATOM 895 O VAL A 58 -7.144 6.780 3.513 1.00 0.00 O ATOM 896 CB VAL A 58 -8.379 5.868 0.996 1.00 0.00 C ATOM 897 CG1 VAL A 58 -7.096 5.598 0.172 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.651 5.562 0.174 1.00 0.00 C ATOM 0 H VAL A 58 -9.980 6.167 3.083 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.227 4.012 2.114 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.405 6.930 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.137 6.161 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.223 5.909 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.023 4.533 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.630 6.133 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.688 4.497 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.533 5.840 0.751 1.00 0.00 H new ATOM 908 N HIS A 59 -6.291 4.690 3.657 1.00 0.00 N ATOM 909 CA HIS A 59 -5.030 5.088 4.307 1.00 0.00 C ATOM 910 C HIS A 59 -3.914 4.961 3.269 1.00 0.00 C ATOM 911 O HIS A 59 -3.803 3.931 2.602 1.00 0.00 O ATOM 912 CB HIS A 59 -4.710 4.204 5.554 1.00 0.00 C ATOM 913 CG HIS A 59 -3.579 4.736 6.422 1.00 0.00 C ATOM 914 ND1 HIS A 59 -3.792 5.355 7.635 1.00 0.00 N ATOM 915 CD2 HIS A 59 -2.233 4.745 6.245 1.00 0.00 C ATOM 916 CE1 HIS A 59 -2.640 5.717 8.159 1.00 0.00 C ATOM 917 NE2 HIS A 59 -1.677 5.358 7.337 1.00 0.00 N ATOM 0 H HIS A 59 -6.413 3.681 3.572 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.118 6.114 4.666 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.610 4.115 6.163 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.453 3.200 5.217 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.698 4.342 5.398 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.508 6.223 9.104 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.680 5.511 7.488 1.00 0.00 H new ATOM 926 N THR A 60 -3.077 5.995 3.154 1.00 0.00 N ATOM 927 CA THR A 60 -1.963 6.022 2.200 1.00 0.00 C ATOM 928 C THR A 60 -0.650 6.015 3.005 1.00 0.00 C ATOM 929 O THR A 60 -0.469 6.833 3.907 1.00 0.00 O ATOM 930 CB THR A 60 -2.049 7.274 1.254 1.00 0.00 C ATOM 931 OG1 THR A 60 -3.369 7.363 0.680 1.00 0.00 O ATOM 932 CG2 THR A 60 -1.009 7.216 0.114 1.00 0.00 C ATOM 0 H THR A 60 -3.152 6.840 3.721 1.00 0.00 H new ATOM 0 HA THR A 60 -2.006 5.146 1.553 1.00 0.00 H new ATOM 0 HB THR A 60 -1.836 8.153 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.485 6.652 0.016 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.107 8.102 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.006 7.181 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.179 6.324 -0.489 1.00 0.00 H new ATOM 940 N TYR A 61 0.242 5.083 2.663 1.00 0.00 N ATOM 941 CA TYR A 61 1.490 4.802 3.395 1.00 0.00 C ATOM 942 C TYR A 61 2.663 5.310 2.539 1.00 0.00 C ATOM 943 O TYR A 61 2.518 5.445 1.324 1.00 0.00 O ATOM 944 CB TYR A 61 1.659 3.262 3.634 1.00 0.00 C ATOM 945 CG TYR A 61 0.535 2.562 4.429 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.637 2.128 3.798 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.661 2.306 5.796 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.639 1.479 4.497 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.336 1.649 6.502 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.486 1.239 5.850 1.00 0.00 C ATOM 951 OH TYR A 61 -2.487 0.589 6.553 1.00 0.00 O ATOM 0 H TYR A 61 0.118 4.483 1.847 1.00 0.00 H new ATOM 0 HA TYR A 61 1.465 5.299 4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.746 2.773 2.664 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.601 3.099 4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.762 2.304 2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.553 2.626 6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.537 1.161 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.215 1.458 7.558 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.225 0.372 5.946 1.00 0.00 H new ATOM 961 N ARG A 62 3.793 5.642 3.169 1.00 0.00 N ATOM 962 CA ARG A 62 5.084 5.848 2.482 1.00 0.00 C ATOM 963 C ARG A 62 6.001 4.648 2.739 1.00 0.00 C ATOM 964 O ARG A 62 5.780 3.866 3.677 1.00 0.00 O ATOM 965 CB ARG A 62 5.750 7.183 2.885 1.00 0.00 C ATOM 966 CG ARG A 62 5.026 8.432 2.333 1.00 0.00 C ATOM 967 CD ARG A 62 5.804 9.726 2.600 1.00 0.00 C ATOM 968 NE ARG A 62 6.012 9.965 4.040 1.00 0.00 N ATOM 969 CZ ARG A 62 5.700 11.091 4.699 1.00 0.00 C ATOM 970 NH1 ARG A 62 5.052 12.076 4.090 1.00 0.00 N ATOM 971 NH2 ARG A 62 6.007 11.206 5.983 1.00 0.00 N ATOM 0 H ARG A 62 3.845 5.778 4.179 1.00 0.00 H new ATOM 0 HA ARG A 62 4.898 5.919 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.786 7.246 3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.781 7.186 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.876 8.317 1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.038 8.506 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.771 9.677 2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.264 10.568 2.168 1.00 0.00 H new ATOM 0 HE ARG A 62 6.429 9.208 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.785 11.982 3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.820 12.927 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.478 10.441 6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.772 12.060 6.489 1.00 0.00 H new ATOM 985 N ILE A 63 7.018 4.483 1.879 1.00 0.00 N ATOM 986 CA ILE A 63 7.822 3.245 1.792 1.00 0.00 C ATOM 987 C ILE A 63 9.212 3.775 1.421 1.00 0.00 C ATOM 988 O ILE A 63 9.445 4.131 0.258 1.00 0.00 O ATOM 989 CB ILE A 63 7.350 2.168 0.713 1.00 0.00 C ATOM 990 CG1 ILE A 63 5.979 1.490 1.087 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.457 1.084 0.487 1.00 0.00 C ATOM 992 CD1 ILE A 63 4.728 2.257 0.739 1.00 0.00 C ATOM 0 H ILE A 63 7.310 5.205 1.220 1.00 0.00 H new ATOM 0 HA ILE A 63 7.749 2.691 2.728 1.00 0.00 H new ATOM 0 HB ILE A 63 7.190 2.711 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.933 0.520 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.975 1.300 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.113 0.361 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.368 1.563 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.662 0.572 1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.853 1.685 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.734 3.217 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.691 2.424 -0.337 1.00 0.00 H new ATOM 1004 N LEU A 64 10.127 3.884 2.381 1.00 0.00 N ATOM 1005 CA LEU A 64 11.395 4.611 2.170 1.00 0.00 C ATOM 1006 C LEU A 64 12.561 3.634 2.221 1.00 0.00 C ATOM 1007 O LEU A 64 12.591 2.779 3.118 1.00 0.00 O ATOM 1008 CB LEU A 64 11.623 5.753 3.216 1.00 0.00 C ATOM 1009 CG LEU A 64 10.680 6.996 3.098 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.292 6.747 3.730 1.00 0.00 C ATOM 1011 CD2 LEU A 64 11.349 8.264 3.666 1.00 0.00 C ATOM 0 H LEU A 64 10.023 3.483 3.313 1.00 0.00 H new ATOM 0 HA LEU A 64 11.333 5.081 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.510 5.331 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.654 6.096 3.130 1.00 0.00 H new ATOM 0 HG LEU A 64 10.508 7.162 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.677 7.640 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.808 5.910 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.410 6.515 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.668 9.109 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.588 8.109 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.265 8.471 3.113 1.00 0.00 H new ATOM 1023 N PRO A 65 13.523 3.719 1.241 1.00 0.00 N ATOM 1024 CA PRO A 65 14.869 3.142 1.409 1.00 0.00 C ATOM 1025 C PRO A 65 15.494 3.617 2.748 1.00 0.00 C ATOM 1026 O PRO A 65 15.656 2.796 3.647 1.00 0.00 O ATOM 1027 CB PRO A 65 15.640 3.636 0.155 1.00 0.00 C ATOM 1028 CG PRO A 65 14.567 3.814 -0.878 1.00 0.00 C ATOM 1029 CD PRO A 65 13.355 4.323 -0.117 1.00 0.00 C ATOM 0 HA PRO A 65 14.884 2.054 1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.165 4.571 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 65 16.388 2.911 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.875 4.523 -1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 65 14.347 2.873 -1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.336 5.412 -0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.423 4.006 -0.586 1.00 0.00 H new ATOM 1037 N ASP A 66 15.830 4.940 2.829 1.00 0.00 N ATOM 1038 CA ASP A 66 16.122 5.733 4.079 1.00 0.00 C ATOM 1039 C ASP A 66 17.495 6.377 3.911 1.00 0.00 C ATOM 1040 O ASP A 66 17.615 7.608 3.845 1.00 0.00 O ATOM 1041 CB ASP A 66 16.074 4.941 5.429 1.00 0.00 C ATOM 1042 CG ASP A 66 16.208 5.802 6.705 1.00 0.00 C ATOM 1043 OD1 ASP A 66 17.322 6.289 7.011 1.00 0.00 O ATOM 1044 OD2 ASP A 66 15.197 5.982 7.418 1.00 0.00 O ATOM 0 H ASP A 66 15.910 5.515 1.990 1.00 0.00 H new ATOM 0 HA ASP A 66 15.315 6.460 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.132 4.394 5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.873 4.200 5.425 1.00 0.00 H new ATOM 1049 N GLY A 67 18.533 5.523 3.858 1.00 0.00 N ATOM 1050 CA GLY A 67 19.901 5.976 3.626 1.00 0.00 C ATOM 1051 C GLY A 67 20.878 4.835 3.390 1.00 0.00 C ATOM 1052 O GLY A 67 22.083 4.993 3.632 1.00 0.00 O ATOM 0 H GLY A 67 18.442 4.514 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.915 6.642 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.234 6.559 4.484 1.00 0.00 H new ATOM 1056 N GLU A 68 20.378 3.683 2.898 1.00 0.00 N ATOM 1057 CA GLU A 68 21.219 2.525 2.539 1.00 0.00 C ATOM 1058 C GLU A 68 20.732 1.980 1.178 1.00 0.00 C ATOM 1059 O GLU A 68 21.246 2.398 0.135 1.00 0.00 O ATOM 1060 CB GLU A 68 21.188 1.407 3.625 1.00 0.00 C ATOM 1061 CG GLU A 68 21.560 1.844 5.053 1.00 0.00 C ATOM 1062 CD GLU A 68 21.432 0.705 6.082 1.00 0.00 C ATOM 1063 OE1 GLU A 68 20.297 0.397 6.507 1.00 0.00 O ATOM 1064 OE2 GLU A 68 22.461 0.113 6.469 1.00 0.00 O ATOM 0 H GLU A 68 19.382 3.530 2.739 1.00 0.00 H new ATOM 0 HA GLU A 68 22.257 2.852 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.187 0.977 3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 68 21.869 0.613 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 68 22.584 2.218 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.917 2.672 5.353 1.00 0.00 H new ATOM 1071 N ASP A 69 19.670 1.132 1.204 1.00 0.00 N ATOM 1072 CA ASP A 69 19.151 0.436 -0.012 1.00 0.00 C ATOM 1073 C ASP A 69 17.925 -0.468 0.314 1.00 0.00 C ATOM 1074 O ASP A 69 17.386 -1.118 -0.577 1.00 0.00 O ATOM 1075 CB ASP A 69 20.292 -0.414 -0.683 1.00 0.00 C ATOM 1076 CG ASP A 69 19.981 -0.880 -2.124 1.00 0.00 C ATOM 1077 OD1 ASP A 69 20.039 -0.045 -3.061 1.00 0.00 O ATOM 1078 OD2 ASP A 69 19.682 -2.076 -2.334 1.00 0.00 O ATOM 0 H ASP A 69 19.153 0.911 2.055 1.00 0.00 H new ATOM 0 HA ASP A 69 18.816 1.203 -0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.208 0.176 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.486 -1.291 -0.065 1.00 0.00 H new ATOM 1083 N PHE A 70 17.445 -0.454 1.575 1.00 0.00 N ATOM 1084 CA PHE A 70 16.436 -1.422 2.077 1.00 0.00 C ATOM 1085 C PHE A 70 15.079 -0.712 2.227 1.00 0.00 C ATOM 1086 O PHE A 70 15.029 0.343 2.830 1.00 0.00 O ATOM 1087 CB PHE A 70 16.883 -1.963 3.458 1.00 0.00 C ATOM 1088 CG PHE A 70 18.282 -2.583 3.505 1.00 0.00 C ATOM 1089 CD1 PHE A 70 18.478 -3.939 3.242 1.00 0.00 C ATOM 1090 CD2 PHE A 70 19.397 -1.811 3.826 1.00 0.00 C ATOM 1091 CE1 PHE A 70 19.734 -4.502 3.304 1.00 0.00 C ATOM 1092 CE2 PHE A 70 20.655 -2.374 3.884 1.00 0.00 C ATOM 1093 CZ PHE A 70 20.823 -3.718 3.620 1.00 0.00 C ATOM 0 H PHE A 70 17.742 0.225 2.276 1.00 0.00 H new ATOM 0 HA PHE A 70 16.343 -2.248 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 70 16.843 -1.146 4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 70 16.162 -2.712 3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 70 17.631 -4.558 2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 70 19.275 -0.758 4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 70 19.865 -5.555 3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 70 21.509 -1.763 4.136 1.00 0.00 H new ATOM 0 HZ PHE A 70 21.809 -4.156 3.661 1.00 0.00 H new ATOM 1103 N LEU A 71 13.975 -1.324 1.777 1.00 0.00 N ATOM 1104 CA LEU A 71 12.670 -0.624 1.681 1.00 0.00 C ATOM 1105 C LEU A 71 11.831 -0.938 2.929 1.00 0.00 C ATOM 1106 O LEU A 71 11.276 -2.019 3.056 1.00 0.00 O ATOM 1107 CB LEU A 71 11.887 -1.062 0.394 1.00 0.00 C ATOM 1108 CG LEU A 71 12.486 -0.647 -0.999 1.00 0.00 C ATOM 1109 CD1 LEU A 71 13.823 -1.359 -1.303 1.00 0.00 C ATOM 1110 CD2 LEU A 71 11.454 -0.882 -2.136 1.00 0.00 C ATOM 0 H LEU A 71 13.951 -2.297 1.473 1.00 0.00 H new ATOM 0 HA LEU A 71 12.856 0.448 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.795 -2.148 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.878 -0.656 0.460 1.00 0.00 H new ATOM 0 HG LEU A 71 12.705 0.419 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.194 -1.037 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.553 -1.105 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.667 -2.438 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.891 -0.588 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.185 -1.938 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.561 -0.286 -1.946 1.00 0.00 H new ATOM 1122 N ALA A 72 11.707 0.044 3.822 1.00 0.00 N ATOM 1123 CA ALA A 72 10.984 -0.093 5.092 1.00 0.00 C ATOM 1124 C ALA A 72 9.620 0.604 5.001 1.00 0.00 C ATOM 1125 O ALA A 72 9.498 1.677 4.397 1.00 0.00 O ATOM 1126 CB ALA A 72 11.826 0.483 6.247 1.00 0.00 C ATOM 0 H ALA A 72 12.110 0.971 3.684 1.00 0.00 H new ATOM 0 HA ALA A 72 10.812 -1.150 5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.280 0.376 7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.770 -0.057 6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.025 1.539 6.061 1.00 0.00 H new ATOM 1132 N VAL A 73 8.600 -0.034 5.588 1.00 0.00 N ATOM 1133 CA VAL A 73 7.233 0.510 5.679 1.00 0.00 C ATOM 1134 C VAL A 73 6.913 0.752 7.155 1.00 0.00 C ATOM 1135 O VAL A 73 7.001 -0.176 7.969 1.00 0.00 O ATOM 1136 CB VAL A 73 6.161 -0.453 5.056 1.00 0.00 C ATOM 1137 CG1 VAL A 73 4.757 0.219 4.997 1.00 0.00 C ATOM 1138 CG2 VAL A 73 6.621 -0.959 3.668 1.00 0.00 C ATOM 0 H VAL A 73 8.698 -0.953 6.019 1.00 0.00 H new ATOM 0 HA VAL A 73 7.193 1.438 5.109 1.00 0.00 H new ATOM 0 HB VAL A 73 6.066 -1.322 5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.039 -0.476 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.438 0.484 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.810 1.119 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.864 -1.625 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.762 -0.110 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.562 -1.500 3.771 1.00 0.00 H new ATOM 1148 N GLN A 74 6.532 1.990 7.491 1.00 0.00 N ATOM 1149 CA GLN A 74 6.235 2.382 8.871 1.00 0.00 C ATOM 1150 C GLN A 74 4.729 2.222 9.113 1.00 0.00 C ATOM 1151 O GLN A 74 3.928 3.064 8.698 1.00 0.00 O ATOM 1152 CB GLN A 74 6.708 3.839 9.138 1.00 0.00 C ATOM 1153 CG GLN A 74 8.232 4.056 8.990 1.00 0.00 C ATOM 1154 CD GLN A 74 9.079 3.176 9.922 1.00 0.00 C ATOM 1155 OE1 GLN A 74 8.652 2.823 11.024 1.00 0.00 O ATOM 1156 NE2 GLN A 74 10.290 2.835 9.493 1.00 0.00 N ATOM 0 H GLN A 74 6.422 2.746 6.815 1.00 0.00 H new ATOM 0 HA GLN A 74 6.775 1.740 9.567 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.190 4.507 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.409 4.125 10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.519 3.856 7.958 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.461 5.103 9.188 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.612 3.144 8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.897 2.264 10.081 1.00 0.00 H new ATOM 1165 N THR A 75 4.353 1.085 9.706 1.00 0.00 N ATOM 1166 CA THR A 75 2.961 0.803 10.087 1.00 0.00 C ATOM 1167 C THR A 75 2.718 1.367 11.492 1.00 0.00 C ATOM 1168 O THR A 75 1.738 2.083 11.728 1.00 0.00 O ATOM 1169 CB THR A 75 2.667 -0.726 10.014 1.00 0.00 C ATOM 1170 OG1 THR A 75 3.560 -1.445 10.884 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.838 -1.249 8.572 1.00 0.00 C ATOM 0 H THR A 75 5.003 0.333 9.936 1.00 0.00 H new ATOM 0 HA THR A 75 2.276 1.285 9.389 1.00 0.00 H new ATOM 0 HB THR A 75 1.636 -0.886 10.331 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.597 -2.385 10.610 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.628 -2.318 8.545 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.146 -0.727 7.911 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.861 -1.072 8.240 1.00 0.00 H new ATOM 1179 N SER A 76 3.659 1.041 12.394 1.00 0.00 N ATOM 1180 CA SER A 76 3.830 1.671 13.712 1.00 0.00 C ATOM 1181 C SER A 76 5.287 1.433 14.174 1.00 0.00 C ATOM 1182 O SER A 76 6.062 0.758 13.483 1.00 0.00 O ATOM 1183 CB SER A 76 2.815 1.131 14.759 1.00 0.00 C ATOM 1184 OG SER A 76 1.468 1.395 14.398 1.00 0.00 O ATOM 0 H SER A 76 4.344 0.306 12.219 1.00 0.00 H new ATOM 0 HA SER A 76 3.631 2.739 13.625 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.953 0.056 14.873 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.023 1.583 15.729 1.00 0.00 H new ATOM 0 HG SER A 76 1.437 1.748 13.484 1.00 0.00 H new ATOM 1190 N GLN A 77 5.650 1.993 15.339 1.00 0.00 N ATOM 1191 CA GLN A 77 7.035 1.957 15.861 1.00 0.00 C ATOM 1192 C GLN A 77 7.282 0.652 16.641 1.00 0.00 C ATOM 1193 O GLN A 77 8.201 -0.105 16.319 1.00 0.00 O ATOM 1194 CB GLN A 77 7.332 3.199 16.759 1.00 0.00 C ATOM 1195 CG GLN A 77 7.193 4.572 16.052 1.00 0.00 C ATOM 1196 CD GLN A 77 5.745 4.976 15.744 1.00 0.00 C ATOM 1197 OE1 GLN A 77 4.820 4.640 16.485 1.00 0.00 O ATOM 1198 NE2 GLN A 77 5.535 5.670 14.641 1.00 0.00 N ATOM 0 H GLN A 77 4.996 2.484 15.949 1.00 0.00 H new ATOM 0 HA GLN A 77 7.717 1.989 15.011 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.657 3.179 17.615 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.345 3.111 17.150 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.647 5.339 16.680 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.758 4.547 15.120 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.321 5.934 14.047 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.587 5.942 14.383 1.00 0.00 H new ATOM 1207 N GLY A 78 6.453 0.428 17.687 1.00 0.00 N ATOM 1208 CA GLY A 78 6.484 -0.796 18.496 1.00 0.00 C ATOM 1209 C GLY A 78 6.286 -2.076 17.694 1.00 0.00 C ATOM 1210 O GLY A 78 6.801 -3.137 18.074 1.00 0.00 O ATOM 0 H GLY A 78 5.745 1.098 17.988 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.440 -0.850 19.017 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.708 -0.734 19.259 1.00 0.00 H new ATOM 1214 N VAL A 79 5.507 -1.979 16.601 1.00 0.00 N ATOM 1215 CA VAL A 79 5.392 -3.052 15.603 1.00 0.00 C ATOM 1216 C VAL A 79 6.774 -3.313 14.970 1.00 0.00 C ATOM 1217 O VAL A 79 7.388 -2.363 14.460 1.00 0.00 O ATOM 1218 CB VAL A 79 4.351 -2.680 14.476 1.00 0.00 C ATOM 1219 CG1 VAL A 79 4.274 -3.749 13.343 1.00 0.00 C ATOM 1220 CG2 VAL A 79 2.966 -2.438 15.101 1.00 0.00 C ATOM 0 H VAL A 79 4.942 -1.157 16.388 1.00 0.00 H new ATOM 0 HA VAL A 79 5.036 -3.951 16.106 1.00 0.00 H new ATOM 0 HB VAL A 79 4.700 -1.762 14.003 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.542 -3.438 12.598 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.251 -3.850 12.871 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.975 -4.708 13.767 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.253 -2.182 14.317 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.634 -3.342 15.612 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.028 -1.619 15.817 1.00 0.00 H new ATOM 1230 N PRO A 80 7.307 -4.582 15.039 1.00 0.00 N ATOM 1231 CA PRO A 80 8.567 -4.952 14.361 1.00 0.00 C ATOM 1232 C PRO A 80 8.469 -4.673 12.843 1.00 0.00 C ATOM 1233 O PRO A 80 7.691 -5.314 12.130 1.00 0.00 O ATOM 1234 CB PRO A 80 8.734 -6.466 14.690 1.00 0.00 C ATOM 1235 CG PRO A 80 7.911 -6.679 15.925 1.00 0.00 C ATOM 1236 CD PRO A 80 6.729 -5.750 15.768 1.00 0.00 C ATOM 0 HA PRO A 80 9.430 -4.375 14.694 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.384 -7.091 13.868 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.780 -6.721 14.862 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.589 -7.717 16.012 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.480 -6.446 16.825 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.922 -6.217 15.204 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.316 -5.458 16.733 1.00 0.00 H new ATOM 1244 N VAL A 81 9.236 -3.665 12.384 1.00 0.00 N ATOM 1245 CA VAL A 81 9.246 -3.210 10.982 1.00 0.00 C ATOM 1246 C VAL A 81 10.112 -4.171 10.146 1.00 0.00 C ATOM 1247 O VAL A 81 11.106 -4.717 10.638 1.00 0.00 O ATOM 1248 CB VAL A 81 9.778 -1.717 10.867 1.00 0.00 C ATOM 1249 CG1 VAL A 81 9.878 -1.235 9.389 1.00 0.00 C ATOM 1250 CG2 VAL A 81 8.889 -0.753 11.710 1.00 0.00 C ATOM 0 H VAL A 81 9.872 -3.139 12.983 1.00 0.00 H new ATOM 0 HA VAL A 81 8.226 -3.218 10.597 1.00 0.00 H new ATOM 0 HB VAL A 81 10.790 -1.703 11.271 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.246 -0.209 9.365 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.565 -1.880 8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.893 -1.278 8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.268 0.265 11.619 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.863 -0.792 11.345 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.913 -1.057 12.756 1.00 0.00 H new ATOM 1260 N ARG A 82 9.693 -4.417 8.896 1.00 0.00 N ATOM 1261 CA ARG A 82 10.445 -5.257 7.953 1.00 0.00 C ATOM 1262 C ARG A 82 10.924 -4.398 6.781 1.00 0.00 C ATOM 1263 O ARG A 82 10.159 -3.607 6.213 1.00 0.00 O ATOM 1264 CB ARG A 82 9.613 -6.471 7.433 1.00 0.00 C ATOM 1265 CG ARG A 82 9.351 -7.598 8.465 1.00 0.00 C ATOM 1266 CD ARG A 82 8.304 -7.228 9.526 1.00 0.00 C ATOM 1267 NE ARG A 82 8.201 -8.251 10.573 1.00 0.00 N ATOM 1268 CZ ARG A 82 9.028 -8.354 11.623 1.00 0.00 C ATOM 1269 NH1 ARG A 82 10.040 -7.500 11.795 1.00 0.00 N ATOM 1270 NH2 ARG A 82 8.831 -9.312 12.510 1.00 0.00 N ATOM 0 H ARG A 82 8.826 -4.041 8.512 1.00 0.00 H new ATOM 0 HA ARG A 82 11.300 -5.672 8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.652 -6.102 7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.130 -6.902 6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.021 -8.493 7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.288 -7.849 8.963 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.567 -6.271 9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.333 -7.098 9.048 1.00 0.00 H new ATOM 0 HE ARG A 82 7.446 -8.933 10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.196 -6.751 11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.657 -7.597 12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.056 -9.964 12.392 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.454 -9.400 13.313 1.00 0.00 H new ATOM 1284 N ARG A 83 12.219 -4.526 6.472 1.00 0.00 N ATOM 1285 CA ARG A 83 12.842 -3.939 5.292 1.00 0.00 C ATOM 1286 C ARG A 83 12.854 -5.007 4.173 1.00 0.00 C ATOM 1287 O ARG A 83 13.145 -6.184 4.422 1.00 0.00 O ATOM 1288 CB ARG A 83 14.264 -3.420 5.651 1.00 0.00 C ATOM 1289 CG ARG A 83 15.285 -4.507 6.078 1.00 0.00 C ATOM 1290 CD ARG A 83 16.607 -3.917 6.602 1.00 0.00 C ATOM 1291 NE ARG A 83 17.674 -4.924 6.723 1.00 0.00 N ATOM 1292 CZ ARG A 83 18.972 -4.652 6.923 1.00 0.00 C ATOM 1293 NH1 ARG A 83 19.402 -3.397 7.010 1.00 0.00 N ATOM 1294 NH2 ARG A 83 19.838 -5.643 6.994 1.00 0.00 N ATOM 0 H ARG A 83 12.873 -5.053 7.051 1.00 0.00 H new ATOM 0 HA ARG A 83 12.281 -3.077 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.666 -2.888 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.173 -2.694 6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.840 -5.132 6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.495 -5.155 5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.937 -3.124 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.434 -3.459 7.576 1.00 0.00 H new ATOM 0 HE ARG A 83 17.405 -5.905 6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.741 -2.624 6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 83 20.392 -3.207 7.162 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.519 -6.607 6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.827 -5.446 7.146 1.00 0.00 H new ATOM 1308 N PHE A 84 12.462 -4.606 2.959 1.00 0.00 N ATOM 1309 CA PHE A 84 12.290 -5.504 1.805 1.00 0.00 C ATOM 1310 C PHE A 84 13.325 -5.173 0.733 1.00 0.00 C ATOM 1311 O PHE A 84 13.753 -4.023 0.622 1.00 0.00 O ATOM 1312 CB PHE A 84 10.857 -5.333 1.227 1.00 0.00 C ATOM 1313 CG PHE A 84 9.757 -5.415 2.283 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.372 -6.635 2.816 1.00 0.00 C ATOM 1315 CD2 PHE A 84 9.119 -4.267 2.751 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.389 -6.710 3.775 1.00 0.00 C ATOM 1317 CE2 PHE A 84 8.133 -4.343 3.710 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.770 -5.565 4.222 1.00 0.00 C ATOM 0 H PHE A 84 12.251 -3.632 2.744 1.00 0.00 H new ATOM 0 HA PHE A 84 12.430 -6.537 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.791 -4.370 0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.684 -6.102 0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.851 -7.540 2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.402 -3.303 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.102 -7.670 4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.646 -3.444 4.059 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.999 -5.627 4.975 1.00 0.00 H new ATOM 1328 N GLN A 85 13.742 -6.184 -0.037 1.00 0.00 N ATOM 1329 CA GLN A 85 14.649 -5.987 -1.186 1.00 0.00 C ATOM 1330 C GLN A 85 13.840 -5.778 -2.476 1.00 0.00 C ATOM 1331 O GLN A 85 14.373 -5.281 -3.476 1.00 0.00 O ATOM 1332 CB GLN A 85 15.634 -7.186 -1.309 1.00 0.00 C ATOM 1333 CG GLN A 85 16.445 -7.466 -0.027 1.00 0.00 C ATOM 1334 CD GLN A 85 17.231 -6.245 0.470 1.00 0.00 C ATOM 1335 OE1 GLN A 85 16.710 -5.434 1.231 1.00 0.00 O ATOM 1336 NE2 GLN A 85 18.477 -6.102 0.051 1.00 0.00 N ATOM 0 H GLN A 85 13.467 -7.155 0.112 1.00 0.00 H new ATOM 0 HA GLN A 85 15.243 -5.088 -1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.070 -8.081 -1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.325 -6.992 -2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.767 -7.798 0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.139 -8.285 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.885 -6.791 -0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.030 -5.303 0.360 1.00 0.00 H new ATOM 1345 N THR A 86 12.527 -6.128 -2.438 1.00 0.00 N ATOM 1346 CA THR A 86 11.592 -5.985 -3.574 1.00 0.00 C ATOM 1347 C THR A 86 10.203 -5.556 -3.047 1.00 0.00 C ATOM 1348 O THR A 86 9.830 -5.890 -1.909 1.00 0.00 O ATOM 1349 CB THR A 86 11.422 -7.316 -4.408 1.00 0.00 C ATOM 1350 OG1 THR A 86 10.868 -8.346 -3.591 1.00 0.00 O ATOM 1351 CG2 THR A 86 12.740 -7.824 -5.005 1.00 0.00 C ATOM 0 H THR A 86 12.088 -6.521 -1.606 1.00 0.00 H new ATOM 0 HA THR A 86 12.017 -5.231 -4.236 1.00 0.00 H new ATOM 0 HB THR A 86 10.752 -7.072 -5.232 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.545 -9.037 -3.432 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.556 -8.740 -5.566 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.153 -7.067 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.449 -8.026 -4.202 1.00 0.00 H new ATOM 1359 N LEU A 87 9.444 -4.824 -3.889 1.00 0.00 N ATOM 1360 CA LEU A 87 8.032 -4.457 -3.616 1.00 0.00 C ATOM 1361 C LEU A 87 7.126 -5.714 -3.519 1.00 0.00 C ATOM 1362 O LEU A 87 6.077 -5.672 -2.878 1.00 0.00 O ATOM 1363 CB LEU A 87 7.502 -3.491 -4.714 1.00 0.00 C ATOM 1364 CG LEU A 87 8.147 -2.065 -4.755 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.670 -1.278 -5.995 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.868 -1.280 -3.445 1.00 0.00 C ATOM 0 H LEU A 87 9.791 -4.468 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 87 8.000 -3.949 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.652 -3.962 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.427 -3.376 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 87 9.227 -2.190 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.133 -0.291 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.954 -1.816 -6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.586 -1.170 -5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.329 -0.294 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.792 -1.169 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.286 -1.825 -2.598 1.00 0.00 H new ATOM 1378 N GLY A 88 7.537 -6.812 -4.185 1.00 0.00 N ATOM 1379 CA GLY A 88 6.836 -8.106 -4.094 1.00 0.00 C ATOM 1380 C GLY A 88 6.766 -8.681 -2.670 1.00 0.00 C ATOM 1381 O GLY A 88 5.719 -9.205 -2.254 1.00 0.00 O ATOM 0 H GLY A 88 8.355 -6.826 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.822 -7.986 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.338 -8.826 -4.741 1.00 0.00 H new ATOM 1385 N GLU A 89 7.892 -8.573 -1.933 1.00 0.00 N ATOM 1386 CA GLU A 89 7.990 -9.008 -0.513 1.00 0.00 C ATOM 1387 C GLU A 89 7.044 -8.186 0.382 1.00 0.00 C ATOM 1388 O GLU A 89 6.433 -8.716 1.317 1.00 0.00 O ATOM 1389 CB GLU A 89 9.441 -8.839 -0.006 1.00 0.00 C ATOM 1390 CG GLU A 89 10.473 -9.729 -0.708 1.00 0.00 C ATOM 1391 CD GLU A 89 11.911 -9.368 -0.315 1.00 0.00 C ATOM 1392 OE1 GLU A 89 12.328 -9.697 0.812 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.616 -8.731 -1.117 1.00 0.00 O ATOM 0 H GLU A 89 8.760 -8.183 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 89 7.700 -10.058 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.736 -7.797 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.465 -9.052 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.281 -10.772 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.358 -9.634 -1.788 1.00 0.00 H new ATOM 1400 N LEU A 90 6.945 -6.890 0.058 1.00 0.00 N ATOM 1401 CA LEU A 90 6.093 -5.911 0.756 1.00 0.00 C ATOM 1402 C LEU A 90 4.621 -6.359 0.686 1.00 0.00 C ATOM 1403 O LEU A 90 3.964 -6.559 1.713 1.00 0.00 O ATOM 1404 CB LEU A 90 6.328 -4.524 0.073 1.00 0.00 C ATOM 1405 CG LEU A 90 5.771 -3.225 0.749 1.00 0.00 C ATOM 1406 CD1 LEU A 90 6.419 -1.986 0.094 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.220 -3.108 0.692 1.00 0.00 C ATOM 0 H LEU A 90 7.468 -6.480 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 90 6.344 -5.835 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.404 -4.396 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.903 -4.578 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 90 6.033 -3.282 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.032 -1.082 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.500 -2.029 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.183 -1.972 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.907 -2.185 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.894 -3.098 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.772 -3.959 1.205 1.00 0.00 H new ATOM 1419 N ILE A 91 4.150 -6.532 -0.555 1.00 0.00 N ATOM 1420 CA ILE A 91 2.774 -6.950 -0.878 1.00 0.00 C ATOM 1421 C ILE A 91 2.428 -8.327 -0.272 1.00 0.00 C ATOM 1422 O ILE A 91 1.322 -8.523 0.243 1.00 0.00 O ATOM 1423 CB ILE A 91 2.584 -6.960 -2.444 1.00 0.00 C ATOM 1424 CG1 ILE A 91 2.829 -5.531 -3.041 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.206 -7.517 -2.864 1.00 0.00 C ATOM 1426 CD1 ILE A 91 1.940 -4.424 -2.502 1.00 0.00 C ATOM 0 H ILE A 91 4.726 -6.383 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 91 2.086 -6.232 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 91 3.332 -7.637 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.868 -5.256 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.697 -5.583 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.124 -7.503 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.103 -8.541 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.417 -6.900 -2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.198 -3.482 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.897 -4.663 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.086 -4.332 -1.426 1.00 0.00 H new ATOM 1438 N GLY A 92 3.409 -9.245 -0.292 1.00 0.00 N ATOM 1439 CA GLY A 92 3.209 -10.612 0.188 1.00 0.00 C ATOM 1440 C GLY A 92 3.068 -10.685 1.705 1.00 0.00 C ATOM 1441 O GLY A 92 2.188 -11.384 2.220 1.00 0.00 O ATOM 0 H GLY A 92 4.350 -9.058 -0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.316 -11.030 -0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.050 -11.230 -0.125 1.00 0.00 H new ATOM 1445 N LEU A 93 3.949 -9.963 2.417 1.00 0.00 N ATOM 1446 CA LEU A 93 3.953 -9.924 3.890 1.00 0.00 C ATOM 1447 C LEU A 93 2.707 -9.218 4.434 1.00 0.00 C ATOM 1448 O LEU A 93 2.036 -9.735 5.324 1.00 0.00 O ATOM 1449 CB LEU A 93 5.207 -9.194 4.425 1.00 0.00 C ATOM 1450 CG LEU A 93 5.344 -9.171 5.983 1.00 0.00 C ATOM 1451 CD1 LEU A 93 5.627 -10.578 6.562 1.00 0.00 C ATOM 1452 CD2 LEU A 93 6.387 -8.143 6.439 1.00 0.00 C ATOM 0 H LEU A 93 4.677 -9.391 1.989 1.00 0.00 H new ATOM 0 HA LEU A 93 3.959 -10.959 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.093 -9.670 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.194 -8.167 4.061 1.00 0.00 H new ATOM 0 HG LEU A 93 4.381 -8.856 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.715 -10.514 7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.808 -11.249 6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.558 -10.963 6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.457 -8.153 7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.357 -8.395 6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.089 -7.149 6.104 1.00 0.00 H new ATOM 1464 N TYR A 94 2.431 -8.012 3.907 1.00 0.00 N ATOM 1465 CA TYR A 94 1.305 -7.178 4.376 1.00 0.00 C ATOM 1466 C TYR A 94 -0.057 -7.682 3.884 1.00 0.00 C ATOM 1467 O TYR A 94 -1.082 -7.176 4.332 1.00 0.00 O ATOM 1468 CB TYR A 94 1.538 -5.688 4.026 1.00 0.00 C ATOM 1469 CG TYR A 94 2.650 -5.049 4.864 1.00 0.00 C ATOM 1470 CD1 TYR A 94 2.559 -5.032 6.257 1.00 0.00 C ATOM 1471 CD2 TYR A 94 3.784 -4.486 4.282 1.00 0.00 C ATOM 1472 CE1 TYR A 94 3.548 -4.472 7.033 1.00 0.00 C ATOM 1473 CE2 TYR A 94 4.777 -3.925 5.057 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.661 -3.922 6.434 1.00 0.00 C ATOM 1475 OH TYR A 94 5.658 -3.365 7.213 1.00 0.00 O ATOM 0 H TYR A 94 2.973 -7.590 3.153 1.00 0.00 H new ATOM 0 HA TYR A 94 1.275 -7.265 5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.791 -5.603 2.969 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.611 -5.135 4.177 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.694 -5.467 6.736 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.887 -4.489 3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 94 3.452 -4.463 8.109 1.00 0.00 H new ATOM 0 HE2 TYR A 94 5.646 -3.488 4.588 1.00 0.00 H new ATOM 0 HH TYR A 94 6.465 -3.239 6.671 1.00 0.00 H new ATOM 1485 N ALA A 95 -0.058 -8.683 2.978 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.258 -9.503 2.674 1.00 0.00 C ATOM 1487 C ALA A 95 -1.759 -10.243 3.935 1.00 0.00 C ATOM 1488 O ALA A 95 -2.930 -10.614 4.040 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.949 -10.497 1.544 1.00 0.00 C ATOM 0 H ALA A 95 0.766 -8.947 2.438 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.054 -8.836 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.837 -11.092 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.655 -9.950 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.136 -11.155 1.850 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.832 -10.446 4.871 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.099 -11.021 6.194 1.00 0.00 C ATOM 1497 C GLN A 96 -1.318 -9.869 7.206 1.00 0.00 C ATOM 1498 O GLN A 96 -0.630 -8.841 7.112 1.00 0.00 O ATOM 1499 CB GLN A 96 0.117 -11.874 6.637 1.00 0.00 C ATOM 1500 CG GLN A 96 0.556 -12.945 5.617 1.00 0.00 C ATOM 1501 CD GLN A 96 1.937 -13.543 5.908 1.00 0.00 C ATOM 1502 OE1 GLN A 96 2.180 -14.723 5.654 1.00 0.00 O ATOM 1503 NE2 GLN A 96 2.872 -12.719 6.376 1.00 0.00 N ATOM 0 H GLN A 96 0.150 -10.210 4.729 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.987 -11.651 6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.959 -11.209 6.831 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.125 -12.366 7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.182 -13.747 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.564 -12.504 4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.640 -11.746 6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.820 -13.060 6.533 1.00 0.00 H new ATOM 1512 N PRO A 97 -2.303 -9.996 8.145 1.00 0.00 N ATOM 1513 CA PRO A 97 -2.402 -9.122 9.340 1.00 0.00 C ATOM 1514 C PRO A 97 -1.055 -8.997 10.094 1.00 0.00 C ATOM 1515 O PRO A 97 -0.418 -10.001 10.434 1.00 0.00 O ATOM 1516 CB PRO A 97 -3.475 -9.828 10.194 1.00 0.00 C ATOM 1517 CG PRO A 97 -4.357 -10.494 9.184 1.00 0.00 C ATOM 1518 CD PRO A 97 -3.444 -10.936 8.067 1.00 0.00 C ATOM 0 HA PRO A 97 -2.659 -8.093 9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.030 -10.553 10.876 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.032 -9.117 10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.879 -11.345 9.622 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.119 -9.807 8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.121 -11.968 8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.942 -10.880 7.099 1.00 0.00 H new ATOM 1526 N ASN A 98 -0.642 -7.752 10.318 1.00 0.00 N ATOM 1527 CA ASN A 98 0.670 -7.425 10.908 1.00 0.00 C ATOM 1528 C ASN A 98 0.513 -6.828 12.316 1.00 0.00 C ATOM 1529 O ASN A 98 1.200 -7.278 13.240 1.00 0.00 O ATOM 1530 CB ASN A 98 1.467 -6.454 9.978 1.00 0.00 C ATOM 1531 CG ASN A 98 0.802 -5.088 9.769 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -0.423 -4.969 9.713 1.00 0.00 O ATOM 1533 ND2 ASN A 98 1.601 -4.038 9.706 1.00 0.00 N ATOM 0 H ASN A 98 -1.206 -6.931 10.097 1.00 0.00 H new ATOM 0 HA ASN A 98 1.236 -8.352 11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.460 -6.300 10.400 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.603 -6.930 9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.207 -3.102 9.609 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.612 -4.163 9.755 1.00 0.00 H new ATOM 1540 N GLN A 99 -0.455 -5.877 12.441 1.00 0.00 N ATOM 1541 CA GLN A 99 -0.634 -4.890 13.539 1.00 0.00 C ATOM 1542 C GLN A 99 -0.318 -3.503 12.933 1.00 0.00 C ATOM 1543 O GLN A 99 0.851 -3.118 12.801 1.00 0.00 O ATOM 1544 CB GLN A 99 0.186 -5.123 14.853 1.00 0.00 C ATOM 1545 CG GLN A 99 -0.201 -4.197 16.032 1.00 0.00 C ATOM 1546 CD GLN A 99 0.722 -4.282 17.263 1.00 0.00 C ATOM 1547 OE1 GLN A 99 0.895 -3.299 17.979 1.00 0.00 O ATOM 1548 NE2 GLN A 99 1.317 -5.439 17.528 1.00 0.00 N ATOM 0 H GLN A 99 -1.178 -5.775 11.729 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.660 -4.992 13.891 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.058 -6.159 15.166 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.245 -4.985 14.633 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.211 -3.167 15.676 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.218 -4.437 16.343 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.160 -6.244 16.921 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.931 -5.523 18.338 1.00 0.00 H new ATOM 1557 N GLY A 100 -1.371 -2.805 12.476 1.00 0.00 N ATOM 1558 CA GLY A 100 -1.237 -1.481 11.855 1.00 0.00 C ATOM 1559 C GLY A 100 -2.064 -1.330 10.587 1.00 0.00 C ATOM 1560 O GLY A 100 -2.639 -0.259 10.339 1.00 0.00 O ATOM 0 H GLY A 100 -2.332 -3.142 12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.540 -0.718 12.572 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.188 -1.301 11.621 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.117 -2.402 9.770 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.881 -2.408 8.499 1.00 0.00 C ATOM 1566 C LEU A 101 -4.396 -2.379 8.780 1.00 0.00 C ATOM 1567 O LEU A 101 -4.894 -3.087 9.665 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.490 -3.639 7.606 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.390 -3.403 6.509 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.949 -2.632 5.298 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -0.155 -2.687 7.083 1.00 0.00 C ATOM 0 H LEU A 101 -1.638 -3.281 9.967 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.622 -1.508 7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.148 -4.439 8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.392 -3.998 7.110 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.076 -4.388 6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.158 -2.489 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.764 -3.200 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.321 -1.661 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.582 -2.543 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.450 -1.718 7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.280 -3.292 7.878 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.104 -1.546 7.996 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.559 -1.335 8.119 1.00 0.00 C ATOM 1585 C VAL A 102 -7.370 -2.634 7.888 1.00 0.00 C ATOM 1586 O VAL A 102 -8.465 -2.790 8.443 1.00 0.00 O ATOM 1587 CB VAL A 102 -7.050 -0.202 7.136 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.439 1.167 7.511 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -6.759 -0.562 5.648 1.00 0.00 C ATOM 0 H VAL A 102 -4.678 -0.994 7.251 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.741 -1.018 9.146 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.132 -0.126 7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.796 1.927 6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.738 1.433 8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.352 1.107 7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.112 0.243 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.686 -0.695 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.275 -1.487 5.390 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.812 -3.560 7.075 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.481 -4.831 6.723 1.00 0.00 C ATOM 1601 C CYS A 103 -6.508 -5.874 6.146 1.00 0.00 C ATOM 1602 O CYS A 103 -6.940 -6.983 5.827 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.580 -4.556 5.678 1.00 0.00 C ATOM 1604 SG CYS A 103 -7.977 -3.764 4.164 1.00 0.00 S ATOM 0 H CYS A 103 -5.892 -3.448 6.648 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.901 -5.238 7.643 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.061 -5.498 5.416 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.344 -3.922 6.128 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.987 -4.453 3.679 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.209 -5.513 6.011 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.206 -6.290 5.228 1.00 0.00 C ATOM 1612 C ALA A 104 -4.486 -6.195 3.698 1.00 0.00 C ATOM 1613 O ALA A 104 -5.559 -5.742 3.269 1.00 0.00 O ATOM 1614 CB ALA A 104 -4.076 -7.759 5.706 1.00 0.00 C ATOM 0 H ALA A 104 -4.822 -4.673 6.442 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.236 -5.829 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.332 -8.275 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.767 -7.776 6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.038 -8.261 5.604 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.506 -6.619 2.883 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.550 -6.480 1.421 1.00 0.00 C ATOM 1622 C LEU A 105 -4.234 -7.710 0.801 1.00 0.00 C ATOM 1623 O LEU A 105 -3.617 -8.765 0.637 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.111 -6.287 0.864 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.284 -5.104 1.465 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.034 -4.910 0.696 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.100 -3.797 1.537 1.00 0.00 C ATOM 0 H LEU A 105 -2.657 -7.070 3.224 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.134 -5.599 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.555 -7.210 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.179 -6.143 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.037 -5.370 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.592 -4.081 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.629 -5.821 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.184 -4.690 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.482 -3.005 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.418 -3.511 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.977 -3.950 2.166 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.529 -7.566 0.497 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.359 -8.676 -0.003 1.00 0.00 C ATOM 1641 C LEU A 106 -6.171 -8.855 -1.522 1.00 0.00 C ATOM 1642 O LEU A 106 -5.852 -9.953 -1.998 1.00 0.00 O ATOM 1643 CB LEU A 106 -7.856 -8.439 0.337 1.00 0.00 C ATOM 1644 CG LEU A 106 -8.819 -9.629 0.025 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -8.450 -10.883 0.845 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -10.289 -9.224 0.243 1.00 0.00 C ATOM 0 H LEU A 106 -6.032 -6.683 0.589 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.036 -9.592 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.935 -8.200 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.200 -7.563 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.700 -9.885 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.140 -11.692 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.432 -11.190 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.517 -10.655 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.937 -10.071 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.433 -8.922 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.539 -8.392 -0.415 1.00 0.00 H new ATOM 1658 N LEU A 107 -6.330 -7.746 -2.263 1.00 0.00 N ATOM 1659 CA LEU A 107 -6.347 -7.742 -3.740 1.00 0.00 C ATOM 1660 C LEU A 107 -6.186 -6.289 -4.242 1.00 0.00 C ATOM 1661 O LEU A 107 -6.610 -5.371 -3.541 1.00 0.00 O ATOM 1662 CB LEU A 107 -7.645 -8.414 -4.299 1.00 0.00 C ATOM 1663 CG LEU A 107 -8.992 -7.607 -4.259 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.129 -8.459 -4.836 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -9.360 -7.093 -2.848 1.00 0.00 C ATOM 0 H LEU A 107 -6.451 -6.820 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 107 -5.512 -8.336 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.455 -8.687 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.800 -9.342 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.845 -6.719 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.060 -7.893 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.899 -8.722 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.238 -9.369 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.301 -6.545 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.466 -7.939 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.573 -6.432 -2.485 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.507 -6.038 -5.414 1.00 0.00 N ATOM 1678 CA PRO A 108 -5.302 -4.661 -5.931 1.00 0.00 C ATOM 1679 C PRO A 108 -6.642 -3.914 -6.129 1.00 0.00 C ATOM 1680 O PRO A 108 -6.857 -2.844 -5.556 1.00 0.00 O ATOM 1681 CB PRO A 108 -4.529 -4.876 -7.260 1.00 0.00 C ATOM 1682 CG PRO A 108 -3.891 -6.224 -7.109 1.00 0.00 C ATOM 1683 CD PRO A 108 -4.870 -7.048 -6.299 1.00 0.00 C ATOM 0 HA PRO A 108 -4.750 -4.026 -5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -5.200 -4.848 -8.118 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.781 -4.098 -7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -3.704 -6.681 -8.081 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.929 -6.148 -6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.602 -7.545 -6.935 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.365 -7.826 -5.726 1.00 0.00 H new ATOM 1691 N VAL A 109 -7.528 -4.546 -6.907 1.00 0.00 N ATOM 1692 CA VAL A 109 -8.943 -4.157 -7.097 1.00 0.00 C ATOM 1693 C VAL A 109 -9.704 -5.420 -7.570 1.00 0.00 C ATOM 1694 O VAL A 109 -10.682 -5.824 -6.921 1.00 0.00 O ATOM 1695 CB VAL A 109 -9.160 -2.943 -8.118 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -10.548 -2.993 -8.827 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -9.000 -1.566 -7.414 1.00 0.00 C ATOM 1698 OXT VAL A 109 -9.285 -6.028 -8.585 1.00 0.00 O ATOM 0 H VAL A 109 -7.276 -5.375 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.327 -3.784 -6.147 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.384 -3.057 -8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -10.640 -2.146 -9.507 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.636 -3.922 -9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.340 -2.946 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.154 -0.767 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.736 -1.478 -6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.997 -1.486 -6.994 1.00 0.00 H new