USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 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 52 ASN : amide:sc= -0.518 X(o=-3.4,f=-3.8!) USER MOD Set 1.2: A 55 HIS : no HD1:sc= -2.9 K(o=-3.4,f=-5.3!) USER MOD Single : A 15 SER OG : rot -18:sc= 0.0391 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -62:sc= 0.204 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 37 SER OG : rot 36:sc= 0.105 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -24:sc= -0.367 USER MOD Single : A 47 GLN : amide:sc= -0.0447 K(o=-0.045,f=-1.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.679 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 60 ASN : amide:sc= -0.629 X(o=-0.63,f=-0.36) USER MOD Single : A 62 ASN : amide:sc= -0.23 K(o=-0.23,f=-6.1!) USER MOD Single : A 65 HIS : no HE2:sc= -2.81! C(o=-2.8!,f=-2.9!) USER MOD Single : A 74 ASN :FLIP amide:sc= 0.107 F(o=-3.1,f=0.11) USER MOD Single : A 76 THR OG1 : rot 62:sc= 1.21 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0506 X(o=-0.051,f=-0.21) USER MOD Single : A 93 THR OG1 : rot 64:sc= 1.22 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -2.45! C(o=-2.4!,f=-3.1!) USER MOD Single : A 103 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -16.495 -8.506 -2.268 1.00 0.00 N ATOM 183 CA SER A 15 -16.428 -7.049 -2.239 1.00 0.00 C ATOM 184 C SER A 15 -14.985 -6.569 -2.364 1.00 0.00 C ATOM 185 O SER A 15 -14.051 -7.263 -1.964 1.00 0.00 O ATOM 186 CB SER A 15 -17.044 -6.516 -0.944 1.00 0.00 C ATOM 187 OG SER A 15 -17.175 -7.545 0.021 1.00 0.00 O ATOM 0 HA SER A 15 -16.995 -6.666 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.421 -5.716 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.022 -6.084 -1.154 1.00 0.00 H new ATOM 0 HG SER A 15 -17.120 -8.418 -0.422 1.00 0.00 H new ATOM 193 N VAL A 16 -14.812 -5.375 -2.922 1.00 0.00 N ATOM 194 CA VAL A 16 -13.484 -4.800 -3.100 1.00 0.00 C ATOM 195 C VAL A 16 -13.519 -3.283 -2.952 1.00 0.00 C ATOM 196 O VAL A 16 -14.488 -2.631 -3.341 1.00 0.00 O ATOM 197 CB VAL A 16 -12.898 -5.157 -4.479 1.00 0.00 C ATOM 198 CG1 VAL A 16 -11.585 -4.424 -4.707 1.00 0.00 C ATOM 199 CG2 VAL A 16 -12.706 -6.661 -4.602 1.00 0.00 C ATOM 0 H VAL A 16 -15.575 -4.787 -3.258 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.848 -5.224 -2.323 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.602 -4.839 -5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.186 -4.689 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.756 -3.348 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.870 -4.709 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.291 -6.896 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.022 -7.005 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.667 -7.161 -4.485 1.00 0.00 H new ATOM 209 N THR A 17 -12.452 -2.725 -2.388 1.00 0.00 N ATOM 210 CA THR A 17 -12.359 -1.284 -2.187 1.00 0.00 C ATOM 211 C THR A 17 -11.182 -0.696 -2.957 1.00 0.00 C ATOM 212 O THR A 17 -10.109 -1.298 -3.024 1.00 0.00 O ATOM 213 CB THR A 17 -12.210 -0.933 -0.695 1.00 0.00 C ATOM 214 OG1 THR A 17 -13.332 -1.433 0.041 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.100 0.572 -0.502 1.00 0.00 C ATOM 0 H THR A 17 -11.640 -3.249 -2.062 1.00 0.00 H new ATOM 0 HA THR A 17 -13.287 -0.852 -2.563 1.00 0.00 H new ATOM 0 HB THR A 17 -11.297 -1.399 -0.324 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.228 -1.207 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.996 0.796 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.228 0.945 -1.039 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.998 1.055 -0.888 1.00 0.00 H new ATOM 223 N LEU A 18 -11.388 0.482 -3.535 1.00 0.00 N ATOM 224 CA LEU A 18 -10.342 1.152 -4.300 1.00 0.00 C ATOM 225 C LEU A 18 -10.149 2.586 -3.818 1.00 0.00 C ATOM 226 O LEU A 18 -11.117 3.286 -3.519 1.00 0.00 O ATOM 227 CB LEU A 18 -10.688 1.144 -5.790 1.00 0.00 C ATOM 228 CG LEU A 18 -9.634 1.735 -6.726 1.00 0.00 C ATOM 229 CD1 LEU A 18 -9.621 3.253 -6.626 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.258 1.167 -6.408 1.00 0.00 C ATOM 0 H LEU A 18 -12.270 0.993 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.409 0.609 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.878 0.114 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.619 1.694 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.891 1.460 -7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.864 3.656 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.600 3.644 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.390 3.548 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.521 1.599 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.993 1.410 -5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.274 0.084 -6.532 1.00 0.00 H new ATOM 242 N ILE A 19 -8.894 3.017 -3.747 1.00 0.00 N ATOM 243 CA ILE A 19 -8.576 4.369 -3.305 1.00 0.00 C ATOM 244 C ILE A 19 -7.501 4.997 -4.186 1.00 0.00 C ATOM 245 O ILE A 19 -6.380 4.495 -4.268 1.00 0.00 O ATOM 246 CB ILE A 19 -8.097 4.385 -1.841 1.00 0.00 C ATOM 247 CG1 ILE A 19 -7.065 3.281 -1.608 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.278 4.222 -0.896 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.112 2.694 -0.214 1.00 0.00 C ATOM 0 H ILE A 19 -8.082 2.450 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.494 4.951 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.625 5.346 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.227 2.485 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.068 3.682 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.924 4.235 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.982 5.040 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.776 3.273 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.353 1.917 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.920 3.479 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.097 2.263 -0.034 1.00 0.00 H new ATOM 261 N SER A 20 -7.851 6.098 -4.843 1.00 0.00 N ATOM 262 CA SER A 20 -6.917 6.794 -5.720 1.00 0.00 C ATOM 263 C SER A 20 -6.742 8.246 -5.285 1.00 0.00 C ATOM 264 O SER A 20 -7.553 9.108 -5.621 1.00 0.00 O ATOM 265 CB SER A 20 -7.407 6.740 -7.168 1.00 0.00 C ATOM 266 OG SER A 20 -7.011 7.897 -7.885 1.00 0.00 O ATOM 0 H SER A 20 -8.774 6.527 -4.785 1.00 0.00 H new ATOM 0 HA SER A 20 -5.951 6.293 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.008 5.851 -7.657 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.493 6.652 -7.184 1.00 0.00 H new ATOM 0 HG SER A 20 -7.410 8.691 -7.471 1.00 0.00 H new ATOM 272 N MET A 21 -5.676 8.508 -4.535 1.00 0.00 N ATOM 273 CA MET A 21 -5.393 9.855 -4.054 1.00 0.00 C ATOM 274 C MET A 21 -4.056 10.355 -4.593 1.00 0.00 C ATOM 275 O MET A 21 -3.098 9.597 -4.743 1.00 0.00 O ATOM 276 CB MET A 21 -5.382 9.882 -2.524 1.00 0.00 C ATOM 277 CG MET A 21 -5.851 8.583 -1.890 1.00 0.00 C ATOM 278 SD MET A 21 -5.492 8.502 -0.125 1.00 0.00 S ATOM 279 CE MET A 21 -4.644 6.927 -0.024 1.00 0.00 C ATOM 0 H MET A 21 -4.995 7.805 -4.248 1.00 0.00 H new ATOM 0 HA MET A 21 -6.181 10.516 -4.416 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.371 10.100 -2.180 1.00 0.00 H new ATOM 0 HB3 MET A 21 -6.019 10.696 -2.179 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.925 8.475 -2.044 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.371 7.744 -2.393 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.357 6.734 1.010 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.307 6.134 -0.371 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.752 6.953 -0.649 1.00 0.00 H new ATOM 289 N PRO A 22 -3.989 11.661 -4.891 1.00 0.00 N ATOM 290 CA PRO A 22 -2.774 12.291 -5.417 1.00 0.00 C ATOM 291 C PRO A 22 -1.664 12.371 -4.375 1.00 0.00 C ATOM 292 O PRO A 22 -1.876 12.858 -3.265 1.00 0.00 O ATOM 293 CB PRO A 22 -3.243 13.694 -5.808 1.00 0.00 C ATOM 294 CG PRO A 22 -4.424 13.955 -4.938 1.00 0.00 C ATOM 295 CD PRO A 22 -5.092 12.624 -4.737 1.00 0.00 C ATOM 0 HA PRO A 22 -2.346 11.724 -6.244 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.459 14.433 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.511 13.742 -6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.119 14.386 -3.985 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.104 14.666 -5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.554 12.551 -3.753 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.879 12.454 -5.472 1.00 0.00 H new ATOM 303 N ALA A 23 -0.480 11.891 -4.740 1.00 0.00 N ATOM 304 CA ALA A 23 0.664 11.911 -3.837 1.00 0.00 C ATOM 305 C ALA A 23 0.226 11.702 -2.391 1.00 0.00 C ATOM 306 O ALA A 23 -0.775 11.035 -2.124 1.00 0.00 O ATOM 307 CB ALA A 23 1.423 13.222 -3.976 1.00 0.00 C ATOM 0 H ALA A 23 -0.288 11.483 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 23 1.326 11.090 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.275 13.223 -3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.777 13.330 -5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.762 14.053 -3.731 1.00 0.00 H new ATOM 391 N ARG A 29 4.795 9.545 3.937 1.00 0.00 N ATOM 392 CA ARG A 29 3.577 8.750 3.847 1.00 0.00 C ATOM 393 C ARG A 29 2.963 8.538 5.228 1.00 0.00 C ATOM 394 O ARG A 29 3.675 8.338 6.211 1.00 0.00 O ATOM 395 CB ARG A 29 3.872 7.398 3.195 1.00 0.00 C ATOM 396 CG ARG A 29 4.992 6.626 3.873 1.00 0.00 C ATOM 397 CD ARG A 29 6.336 6.903 3.217 1.00 0.00 C ATOM 398 NE ARG A 29 7.128 5.686 3.058 1.00 0.00 N ATOM 399 CZ ARG A 29 8.419 5.686 2.745 1.00 0.00 C ATOM 400 NH1 ARG A 29 9.060 6.832 2.559 1.00 0.00 N ATOM 401 NH2 ARG A 29 9.072 4.538 2.618 1.00 0.00 N ATOM 0 HA ARG A 29 2.862 9.295 3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.966 6.793 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.134 7.558 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.037 6.899 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.778 5.558 3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.176 7.361 2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.892 7.622 3.819 1.00 0.00 H new ATOM 0 HE ARG A 29 6.665 4.788 3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.562 7.717 2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.051 6.829 2.319 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.583 3.654 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.063 4.539 2.378 1.00 0.00 H new ATOM 415 N GLY A 30 1.636 8.582 5.293 1.00 0.00 N ATOM 416 CA GLY A 30 0.949 8.394 6.558 1.00 0.00 C ATOM 417 C GLY A 30 0.680 6.933 6.859 1.00 0.00 C ATOM 418 O GLY A 30 0.082 6.602 7.884 1.00 0.00 O ATOM 0 H GLY A 30 1.024 8.744 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.548 8.823 7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.005 8.938 6.540 1.00 0.00 H new ATOM 422 N PHE A 31 1.122 6.055 5.965 1.00 0.00 N ATOM 423 CA PHE A 31 0.923 4.620 6.139 1.00 0.00 C ATOM 424 C PHE A 31 2.059 3.832 5.493 1.00 0.00 C ATOM 425 O PHE A 31 2.728 4.319 4.582 1.00 0.00 O ATOM 426 CB PHE A 31 -0.417 4.193 5.536 1.00 0.00 C ATOM 427 CG PHE A 31 -0.354 3.935 4.058 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.526 4.970 3.153 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.123 2.658 3.573 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.469 4.736 1.792 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.065 2.417 2.213 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.237 3.458 1.321 1.00 0.00 C ATOM 0 H PHE A 31 1.620 6.311 5.113 1.00 0.00 H new ATOM 0 HA PHE A 31 0.917 4.405 7.208 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.762 3.290 6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.157 4.969 5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.707 5.971 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.013 1.841 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.606 5.551 1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.115 1.416 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.190 3.273 0.258 1.00 0.00 H new ATOM 442 N SER A 32 2.271 2.611 5.973 1.00 0.00 N ATOM 443 CA SER A 32 3.329 1.756 5.447 1.00 0.00 C ATOM 444 C SER A 32 2.788 0.370 5.109 1.00 0.00 C ATOM 445 O SER A 32 1.659 0.028 5.461 1.00 0.00 O ATOM 446 CB SER A 32 4.470 1.638 6.460 1.00 0.00 C ATOM 447 OG SER A 32 4.046 2.030 7.754 1.00 0.00 O ATOM 0 H SER A 32 1.724 2.191 6.725 1.00 0.00 H new ATOM 0 HA SER A 32 3.711 2.211 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.831 0.610 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.307 2.261 6.144 1.00 0.00 H new ATOM 0 HG SER A 32 4.793 1.944 8.383 1.00 0.00 H new ATOM 453 N VAL A 33 3.603 -0.425 4.422 1.00 0.00 N ATOM 454 CA VAL A 33 3.209 -1.775 4.036 1.00 0.00 C ATOM 455 C VAL A 33 4.312 -2.780 4.348 1.00 0.00 C ATOM 456 O VAL A 33 5.498 -2.448 4.314 1.00 0.00 O ATOM 457 CB VAL A 33 2.867 -1.852 2.536 1.00 0.00 C ATOM 458 CG1 VAL A 33 1.951 -0.706 2.137 1.00 0.00 C ATOM 459 CG2 VAL A 33 4.138 -1.845 1.700 1.00 0.00 C ATOM 0 H VAL A 33 4.540 -0.157 4.121 1.00 0.00 H new ATOM 0 HA VAL A 33 2.321 -2.024 4.617 1.00 0.00 H new ATOM 0 HB VAL A 33 2.340 -2.788 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.721 -0.778 1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.027 -0.761 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.448 0.243 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.878 -1.900 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.693 -0.927 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.754 -2.704 1.967 1.00 0.00 H new ATOM 469 N THR A 34 3.915 -4.012 4.651 1.00 0.00 N ATOM 470 CA THR A 34 4.869 -5.066 4.969 1.00 0.00 C ATOM 471 C THR A 34 5.154 -5.936 3.751 1.00 0.00 C ATOM 472 O THR A 34 4.243 -6.524 3.168 1.00 0.00 O ATOM 473 CB THR A 34 4.358 -5.959 6.115 1.00 0.00 C ATOM 474 OG1 THR A 34 4.329 -5.217 7.339 1.00 0.00 O ATOM 475 CG2 THR A 34 5.242 -7.186 6.281 1.00 0.00 C ATOM 0 H THR A 34 2.938 -4.304 4.683 1.00 0.00 H new ATOM 0 HA THR A 34 5.789 -4.574 5.284 1.00 0.00 H new ATOM 0 HB THR A 34 3.349 -6.289 5.866 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.001 -5.792 8.062 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.861 -7.801 7.096 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.238 -7.765 5.357 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.261 -6.872 6.509 1.00 0.00 H new ATOM 483 N VAL A 35 6.425 -6.014 3.369 1.00 0.00 N ATOM 484 CA VAL A 35 6.831 -6.814 2.220 1.00 0.00 C ATOM 485 C VAL A 35 7.549 -8.084 2.660 1.00 0.00 C ATOM 486 O VAL A 35 8.429 -8.045 3.520 1.00 0.00 O ATOM 487 CB VAL A 35 7.753 -6.017 1.278 1.00 0.00 C ATOM 488 CG1 VAL A 35 8.363 -6.931 0.227 1.00 0.00 C ATOM 489 CG2 VAL A 35 6.988 -4.876 0.624 1.00 0.00 C ATOM 0 H VAL A 35 7.191 -5.532 3.839 1.00 0.00 H new ATOM 0 HA VAL A 35 5.920 -7.082 1.684 1.00 0.00 H new ATOM 0 HB VAL A 35 8.564 -5.590 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.011 -6.350 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.947 -7.710 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.569 -7.390 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.655 -4.323 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.156 -5.279 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.605 -4.206 1.394 1.00 0.00 H new ATOM 499 N GLU A 36 7.168 -9.210 2.065 1.00 0.00 N ATOM 500 CA GLU A 36 7.776 -10.493 2.397 1.00 0.00 C ATOM 501 C GLU A 36 8.394 -11.138 1.161 1.00 0.00 C ATOM 502 O GLU A 36 7.768 -11.204 0.103 1.00 0.00 O ATOM 503 CB GLU A 36 6.736 -11.433 3.010 1.00 0.00 C ATOM 504 CG GLU A 36 6.635 -11.325 4.523 1.00 0.00 C ATOM 505 CD GLU A 36 7.296 -12.489 5.235 1.00 0.00 C ATOM 506 OE1 GLU A 36 8.527 -12.436 5.439 1.00 0.00 O ATOM 507 OE2 GLU A 36 6.584 -13.451 5.589 1.00 0.00 O ATOM 0 H GLU A 36 6.441 -9.260 1.351 1.00 0.00 H new ATOM 0 HA GLU A 36 8.566 -10.313 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.761 -11.217 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.985 -12.460 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.098 -10.394 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.585 -11.276 4.811 1.00 0.00 H new ATOM 514 N SER A 37 9.628 -11.613 1.302 1.00 0.00 N ATOM 515 CA SER A 37 10.334 -12.249 0.196 1.00 0.00 C ATOM 516 C SER A 37 10.875 -13.614 0.610 1.00 0.00 C ATOM 517 O SER A 37 11.584 -13.735 1.609 1.00 0.00 O ATOM 518 CB SER A 37 11.480 -11.358 -0.286 1.00 0.00 C ATOM 519 OG SER A 37 12.306 -10.961 0.795 1.00 0.00 O ATOM 0 H SER A 37 10.159 -11.569 2.172 1.00 0.00 H new ATOM 0 HA SER A 37 9.626 -12.391 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.075 -11.894 -1.025 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.075 -10.476 -0.782 1.00 0.00 H new ATOM 0 HG SER A 37 12.373 -11.694 1.442 1.00 0.00 H new ATOM 571 N TYR A 42 10.227 -11.611 -6.318 1.00 0.00 N ATOM 572 CA TYR A 42 9.436 -10.421 -6.606 1.00 0.00 C ATOM 573 C TYR A 42 8.225 -10.335 -5.681 1.00 0.00 C ATOM 574 O TYR A 42 7.085 -10.494 -6.116 1.00 0.00 O ATOM 575 CB TYR A 42 8.977 -10.429 -8.065 1.00 0.00 C ATOM 576 CG TYR A 42 8.863 -11.816 -8.657 1.00 0.00 C ATOM 577 CD1 TYR A 42 7.809 -12.654 -8.315 1.00 0.00 C ATOM 578 CD2 TYR A 42 9.809 -12.287 -9.559 1.00 0.00 C ATOM 579 CE1 TYR A 42 7.702 -13.922 -8.852 1.00 0.00 C ATOM 580 CE2 TYR A 42 9.709 -13.553 -10.103 1.00 0.00 C ATOM 581 CZ TYR A 42 8.654 -14.367 -9.746 1.00 0.00 C ATOM 582 OH TYR A 42 8.550 -15.629 -10.285 1.00 0.00 O ATOM 0 HA TYR A 42 10.065 -9.547 -6.434 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.009 -9.933 -8.135 1.00 0.00 H new ATOM 0 HB3 TYR A 42 9.679 -9.845 -8.661 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.061 -12.308 -7.617 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.637 -11.653 -9.840 1.00 0.00 H new ATOM 0 HE1 TYR A 42 6.878 -14.562 -8.574 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.452 -13.903 -10.804 1.00 0.00 H new ATOM 0 HH TYR A 42 9.299 -15.786 -10.897 1.00 0.00 H new ATOM 592 N ALA A 43 8.483 -10.081 -4.402 1.00 0.00 N ATOM 593 CA ALA A 43 7.416 -9.971 -3.415 1.00 0.00 C ATOM 594 C ALA A 43 6.622 -11.268 -3.318 1.00 0.00 C ATOM 595 O ALA A 43 6.423 -11.964 -4.315 1.00 0.00 O ATOM 596 CB ALA A 43 6.495 -8.810 -3.762 1.00 0.00 C ATOM 0 H ALA A 43 9.422 -9.948 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 43 7.871 -9.782 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.703 -8.739 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.067 -7.882 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.055 -8.976 -4.745 1.00 0.00 H new ATOM 602 N THR A 44 6.169 -11.591 -2.111 1.00 0.00 N ATOM 603 CA THR A 44 5.398 -12.806 -1.883 1.00 0.00 C ATOM 604 C THR A 44 4.074 -12.496 -1.194 1.00 0.00 C ATOM 605 O THR A 44 3.077 -13.191 -1.398 1.00 0.00 O ATOM 606 CB THR A 44 6.183 -13.818 -1.028 1.00 0.00 C ATOM 607 OG1 THR A 44 5.796 -15.154 -1.371 1.00 0.00 O ATOM 608 CG2 THR A 44 5.940 -13.579 0.454 1.00 0.00 C ATOM 0 H THR A 44 6.323 -11.027 -1.275 1.00 0.00 H new ATOM 0 HA THR A 44 5.202 -13.243 -2.862 1.00 0.00 H new ATOM 0 HB THR A 44 7.245 -13.684 -1.231 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.301 -15.791 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.505 -14.306 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.263 -12.572 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.877 -13.687 0.671 1.00 0.00 H new ATOM 616 N THR A 45 4.068 -11.447 -0.377 1.00 0.00 N ATOM 617 CA THR A 45 2.866 -11.045 0.343 1.00 0.00 C ATOM 618 C THR A 45 2.937 -9.580 0.757 1.00 0.00 C ATOM 619 O THR A 45 4.019 -9.045 0.999 1.00 0.00 O ATOM 620 CB THR A 45 2.647 -11.911 1.598 1.00 0.00 C ATOM 621 OG1 THR A 45 2.735 -13.299 1.257 1.00 0.00 O ATOM 622 CG2 THR A 45 1.290 -11.623 2.223 1.00 0.00 C ATOM 0 H THR A 45 4.883 -10.860 -0.198 1.00 0.00 H new ATOM 0 HA THR A 45 2.027 -11.187 -0.339 1.00 0.00 H new ATOM 0 HB THR A 45 3.424 -11.665 2.322 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.527 -13.416 0.307 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.157 -12.246 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.236 -10.572 2.508 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.503 -11.844 1.502 1.00 0.00 H new ATOM 630 N VAL A 46 1.778 -8.935 0.836 1.00 0.00 N ATOM 631 CA VAL A 46 1.708 -7.531 1.223 1.00 0.00 C ATOM 632 C VAL A 46 0.521 -7.273 2.143 1.00 0.00 C ATOM 633 O VAL A 46 -0.606 -7.665 1.843 1.00 0.00 O ATOM 634 CB VAL A 46 1.598 -6.614 -0.010 1.00 0.00 C ATOM 635 CG1 VAL A 46 1.429 -5.164 0.417 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.816 -6.777 -0.906 1.00 0.00 C ATOM 0 H VAL A 46 0.874 -9.363 0.637 1.00 0.00 H new ATOM 0 HA VAL A 46 2.632 -7.303 1.755 1.00 0.00 H new ATOM 0 HB VAL A 46 0.716 -6.905 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.353 -4.531 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.523 -5.064 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.290 -4.857 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.721 -6.122 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.715 -6.514 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.886 -7.812 -1.240 1.00 0.00 H new ATOM 646 N GLN A 47 0.782 -6.609 3.265 1.00 0.00 N ATOM 647 CA GLN A 47 -0.266 -6.298 4.230 1.00 0.00 C ATOM 648 C GLN A 47 -0.032 -4.932 4.865 1.00 0.00 C ATOM 649 O GLN A 47 1.029 -4.672 5.433 1.00 0.00 O ATOM 650 CB GLN A 47 -0.325 -7.375 5.315 1.00 0.00 C ATOM 651 CG GLN A 47 -1.295 -8.503 5.000 1.00 0.00 C ATOM 652 CD GLN A 47 -1.079 -9.719 5.879 1.00 0.00 C ATOM 653 OE1 GLN A 47 -0.051 -9.845 6.544 1.00 0.00 O ATOM 654 NE2 GLN A 47 -2.051 -10.625 5.885 1.00 0.00 N ATOM 0 H GLN A 47 1.710 -6.276 3.528 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.218 -6.274 3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.672 -7.793 5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.613 -6.913 6.259 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.317 -8.145 5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.185 -8.791 3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.887 -10.480 5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.962 -11.465 6.456 1.00 0.00 H new ATOM 663 N VAL A 48 -1.031 -4.060 4.766 1.00 0.00 N ATOM 664 CA VAL A 48 -0.935 -2.719 5.331 1.00 0.00 C ATOM 665 C VAL A 48 -0.489 -2.769 6.788 1.00 0.00 C ATOM 666 O VAL A 48 -1.261 -3.137 7.674 1.00 0.00 O ATOM 667 CB VAL A 48 -2.281 -1.975 5.243 1.00 0.00 C ATOM 668 CG1 VAL A 48 -2.104 -0.508 5.601 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.881 -2.124 3.853 1.00 0.00 C ATOM 0 H VAL A 48 -1.916 -4.259 4.300 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.192 -2.180 4.744 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.970 -2.419 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.065 0.002 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.720 -0.425 6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.399 -0.047 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.832 -1.592 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.197 -1.706 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.045 -3.180 3.639 1.00 0.00 H new ATOM 679 N LYS A 49 0.763 -2.394 7.031 1.00 0.00 N ATOM 680 CA LYS A 49 1.313 -2.392 8.381 1.00 0.00 C ATOM 681 C LYS A 49 0.509 -1.475 9.296 1.00 0.00 C ATOM 682 O LYS A 49 -0.148 -1.935 10.229 1.00 0.00 O ATOM 683 CB LYS A 49 2.778 -1.949 8.356 1.00 0.00 C ATOM 684 CG LYS A 49 3.404 -1.840 9.736 1.00 0.00 C ATOM 685 CD LYS A 49 4.623 -2.738 9.867 1.00 0.00 C ATOM 686 CE LYS A 49 4.736 -3.322 11.267 1.00 0.00 C ATOM 687 NZ LYS A 49 6.134 -3.269 11.778 1.00 0.00 N ATOM 0 H LYS A 49 1.416 -2.087 6.310 1.00 0.00 H new ATOM 0 HA LYS A 49 1.253 -3.408 8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.353 -2.658 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.848 -0.982 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.691 -0.806 9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.668 -2.111 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.561 -3.546 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.523 -2.168 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.081 -2.773 11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.391 -4.356 11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.170 -3.676 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.755 -3.814 11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.454 -2.280 11.811 1.00 0.00 H new ATOM 701 N GLU A 50 0.564 -0.175 9.021 1.00 0.00 N ATOM 702 CA GLU A 50 -0.161 0.806 9.820 1.00 0.00 C ATOM 703 C GLU A 50 -0.708 1.927 8.940 1.00 0.00 C ATOM 704 O GLU A 50 -0.220 2.157 7.834 1.00 0.00 O ATOM 705 CB GLU A 50 0.751 1.390 10.901 1.00 0.00 C ATOM 706 CG GLU A 50 0.963 0.461 12.085 1.00 0.00 C ATOM 707 CD GLU A 50 0.003 0.741 13.225 1.00 0.00 C ATOM 708 OE1 GLU A 50 -0.371 1.919 13.409 1.00 0.00 O ATOM 709 OE2 GLU A 50 -0.373 -0.216 13.933 1.00 0.00 O ATOM 0 H GLU A 50 1.103 0.223 8.252 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.000 0.300 10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.718 1.628 10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.324 2.327 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.842 -0.572 11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.987 0.564 12.444 1.00 0.00 H new ATOM 716 N VAL A 51 -1.725 2.621 9.441 1.00 0.00 N ATOM 717 CA VAL A 51 -2.339 3.718 8.703 1.00 0.00 C ATOM 718 C VAL A 51 -2.668 4.885 9.626 1.00 0.00 C ATOM 719 O VAL A 51 -3.205 4.695 10.716 1.00 0.00 O ATOM 720 CB VAL A 51 -3.627 3.263 7.990 1.00 0.00 C ATOM 721 CG1 VAL A 51 -4.144 4.359 7.071 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.380 1.978 7.213 1.00 0.00 C ATOM 0 H VAL A 51 -2.141 2.443 10.355 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.614 4.042 7.956 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.388 3.065 8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.054 4.020 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.361 5.252 7.656 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.388 4.591 6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.300 1.671 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.603 2.147 6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.059 1.194 7.899 1.00 0.00 H new ATOM 732 N ASN A 52 -2.342 6.095 9.181 1.00 0.00 N ATOM 733 CA ASN A 52 -2.603 7.295 9.967 1.00 0.00 C ATOM 734 C ASN A 52 -3.877 7.989 9.495 1.00 0.00 C ATOM 735 O ASN A 52 -4.047 8.252 8.304 1.00 0.00 O ATOM 736 CB ASN A 52 -1.419 8.258 9.873 1.00 0.00 C ATOM 737 CG ASN A 52 -0.302 7.898 10.835 1.00 0.00 C ATOM 738 OD1 ASN A 52 -0.549 7.376 11.922 1.00 0.00 O ATOM 739 ND2 ASN A 52 0.934 8.177 10.437 1.00 0.00 N ATOM 0 H ASN A 52 -1.897 6.270 8.280 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.738 6.996 11.006 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.032 8.255 8.854 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.761 9.272 10.081 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.726 7.958 11.041 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.091 8.610 9.527 1.00 0.00 H new ATOM 746 N ARG A 53 -4.768 8.282 10.435 1.00 0.00 N ATOM 747 CA ARG A 53 -6.027 8.945 10.116 1.00 0.00 C ATOM 748 C ARG A 53 -5.840 10.458 10.037 1.00 0.00 C ATOM 749 O ARG A 53 -6.589 11.151 9.350 1.00 0.00 O ATOM 750 CB ARG A 53 -7.088 8.606 11.164 1.00 0.00 C ATOM 751 CG ARG A 53 -7.309 7.113 11.345 1.00 0.00 C ATOM 752 CD ARG A 53 -7.338 6.728 12.816 1.00 0.00 C ATOM 753 NE ARG A 53 -8.486 7.306 13.510 1.00 0.00 N ATOM 754 CZ ARG A 53 -9.732 6.872 13.356 1.00 0.00 C ATOM 755 NH1 ARG A 53 -9.990 5.862 12.538 1.00 0.00 N ATOM 756 NH2 ARG A 53 -10.723 7.450 14.023 1.00 0.00 N ATOM 0 H ARG A 53 -4.642 8.071 11.425 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.361 8.585 9.143 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.794 9.040 12.120 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.031 9.072 10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.248 6.823 10.873 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.515 6.563 10.839 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.369 5.642 12.906 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.418 7.062 13.296 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.322 8.085 14.147 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.231 5.415 12.024 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.948 5.531 12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.528 8.227 14.654 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.680 7.117 13.905 1.00 0.00 H new ATOM 770 N MET A 54 -4.835 10.962 10.747 1.00 0.00 N ATOM 771 CA MET A 54 -4.550 12.392 10.757 1.00 0.00 C ATOM 772 C MET A 54 -3.655 12.776 9.583 1.00 0.00 C ATOM 773 O MET A 54 -3.680 13.916 9.116 1.00 0.00 O ATOM 774 CB MET A 54 -3.882 12.792 12.074 1.00 0.00 C ATOM 775 CG MET A 54 -4.734 12.503 13.299 1.00 0.00 C ATOM 776 SD MET A 54 -3.746 12.119 14.758 1.00 0.00 S ATOM 777 CE MET A 54 -3.899 10.335 14.810 1.00 0.00 C ATOM 0 H MET A 54 -4.206 10.402 11.322 1.00 0.00 H new ATOM 0 HA MET A 54 -5.495 12.926 10.661 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.934 12.262 12.167 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.650 13.857 12.046 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.365 13.366 13.509 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.399 11.666 13.085 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.340 9.947 15.661 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.950 10.063 14.911 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.501 9.909 13.889 1.00 0.00 H new ATOM 787 N HIS A 55 -2.864 11.819 9.109 1.00 0.00 N ATOM 788 CA HIS A 55 -1.961 12.057 7.989 1.00 0.00 C ATOM 789 C HIS A 55 -2.688 11.887 6.659 1.00 0.00 C ATOM 790 O HIS A 55 -2.214 12.343 5.618 1.00 0.00 O ATOM 791 CB HIS A 55 -0.767 11.104 8.057 1.00 0.00 C ATOM 792 CG HIS A 55 -0.013 11.179 9.349 1.00 0.00 C ATOM 793 ND1 HIS A 55 -0.631 11.306 10.575 1.00 0.00 N ATOM 794 CD2 HIS A 55 1.317 11.144 9.601 1.00 0.00 C ATOM 795 CE1 HIS A 55 0.286 11.347 11.525 1.00 0.00 C ATOM 796 NE2 HIS A 55 1.476 11.250 10.961 1.00 0.00 N ATOM 0 H HIS A 55 -2.830 10.871 9.483 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.601 13.084 8.057 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.119 10.083 7.910 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.087 11.328 7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.106 11.050 8.869 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.095 11.443 12.584 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.368 11.253 11.455 1.00 0.00 H new ATOM 805 N ILE A 56 -3.840 11.227 6.701 1.00 0.00 N ATOM 806 CA ILE A 56 -4.633 10.997 5.499 1.00 0.00 C ATOM 807 C ILE A 56 -5.935 11.789 5.539 1.00 0.00 C ATOM 808 O ILE A 56 -6.561 12.026 4.506 1.00 0.00 O ATOM 809 CB ILE A 56 -4.959 9.503 5.317 1.00 0.00 C ATOM 810 CG1 ILE A 56 -3.669 8.684 5.226 1.00 0.00 C ATOM 811 CG2 ILE A 56 -5.814 9.294 4.076 1.00 0.00 C ATOM 812 CD1 ILE A 56 -3.906 7.196 5.095 1.00 0.00 C ATOM 0 H ILE A 56 -4.245 10.842 7.554 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.031 11.335 4.655 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.524 9.162 6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.089 9.028 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.066 8.871 6.115 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.036 8.233 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.746 9.850 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.274 9.649 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.948 6.679 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.459 6.838 5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.482 6.998 4.191 1.00 0.00 H new ATOM 824 N SER A 57 -6.336 12.197 6.739 1.00 0.00 N ATOM 825 CA SER A 57 -7.566 12.961 6.915 1.00 0.00 C ATOM 826 C SER A 57 -8.789 12.097 6.622 1.00 0.00 C ATOM 827 O SER A 57 -8.728 11.124 5.870 1.00 0.00 O ATOM 828 CB SER A 57 -7.563 14.188 6.001 1.00 0.00 C ATOM 829 OG SER A 57 -6.248 14.509 5.581 1.00 0.00 O ATOM 0 H SER A 57 -5.827 12.011 7.603 1.00 0.00 H new ATOM 0 HA SER A 57 -7.616 13.290 7.953 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.190 13.998 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.998 15.038 6.527 1.00 0.00 H new ATOM 0 HG SER A 57 -6.274 15.295 4.997 1.00 0.00 H new ATOM 835 N PRO A 58 -9.928 12.461 7.230 1.00 0.00 N ATOM 836 CA PRO A 58 -11.188 11.733 7.050 1.00 0.00 C ATOM 837 C PRO A 58 -11.765 11.910 5.649 1.00 0.00 C ATOM 838 O PRO A 58 -12.787 12.569 5.468 1.00 0.00 O ATOM 839 CB PRO A 58 -12.114 12.365 8.093 1.00 0.00 C ATOM 840 CG PRO A 58 -11.562 13.731 8.311 1.00 0.00 C ATOM 841 CD PRO A 58 -10.074 13.610 8.139 1.00 0.00 C ATOM 0 HA PRO A 58 -11.058 10.657 7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.143 12.406 7.736 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.121 11.788 9.018 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.981 14.439 7.596 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.811 14.098 9.307 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.644 14.516 7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.572 13.436 9.091 1.00 0.00 H new ATOM 849 N ASN A 59 -11.101 11.316 4.662 1.00 0.00 N ATOM 850 CA ASN A 59 -11.549 11.408 3.277 1.00 0.00 C ATOM 851 C ASN A 59 -11.313 10.093 2.541 1.00 0.00 C ATOM 852 O ASN A 59 -12.146 9.656 1.748 1.00 0.00 O ATOM 853 CB ASN A 59 -10.820 12.545 2.559 1.00 0.00 C ATOM 854 CG ASN A 59 -11.497 12.936 1.259 1.00 0.00 C ATOM 855 OD1 ASN A 59 -11.358 12.254 0.244 1.00 0.00 O ATOM 856 ND2 ASN A 59 -12.235 14.040 1.286 1.00 0.00 N ATOM 0 H ASN A 59 -10.252 10.767 4.796 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.619 11.615 3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.771 13.414 3.216 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.793 12.242 2.354 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.715 14.353 0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.322 14.574 2.150 1.00 0.00 H new ATOM 863 N ASN A 60 -10.173 9.466 2.811 1.00 0.00 N ATOM 864 CA ASN A 60 -9.827 8.200 2.174 1.00 0.00 C ATOM 865 C ASN A 60 -9.653 7.098 3.214 1.00 0.00 C ATOM 866 O ASN A 60 -9.751 5.912 2.899 1.00 0.00 O ATOM 867 CB ASN A 60 -8.544 8.351 1.354 1.00 0.00 C ATOM 868 CG ASN A 60 -8.700 9.338 0.213 1.00 0.00 C ATOM 869 OD1 ASN A 60 -8.386 10.521 0.354 1.00 0.00 O ATOM 870 ND2 ASN A 60 -9.186 8.856 -0.924 1.00 0.00 N ATOM 0 H ASN A 60 -9.473 9.814 3.466 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.644 7.921 1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.735 8.679 2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.256 7.379 0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.313 9.473 -1.726 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.433 7.869 -0.995 1.00 0.00 H new ATOM 877 N ARG A 61 -9.394 7.498 4.455 1.00 0.00 N ATOM 878 CA ARG A 61 -9.205 6.545 5.541 1.00 0.00 C ATOM 879 C ARG A 61 -10.433 5.653 5.702 1.00 0.00 C ATOM 880 O ARG A 61 -10.328 4.509 6.141 1.00 0.00 O ATOM 881 CB ARG A 61 -8.923 7.282 6.852 1.00 0.00 C ATOM 882 CG ARG A 61 -10.070 8.166 7.313 1.00 0.00 C ATOM 883 CD ARG A 61 -10.644 7.686 8.637 1.00 0.00 C ATOM 884 NE ARG A 61 -12.092 7.867 8.703 1.00 0.00 N ATOM 885 CZ ARG A 61 -12.854 7.349 9.660 1.00 0.00 C ATOM 886 NH1 ARG A 61 -12.310 6.622 10.625 1.00 0.00 N ATOM 887 NH2 ARG A 61 -14.165 7.558 9.652 1.00 0.00 N ATOM 0 H ARG A 61 -9.310 8.476 4.733 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.350 5.916 5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.704 6.551 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.030 7.895 6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.720 9.193 7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.854 8.172 6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.404 6.632 8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.173 8.231 9.455 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.542 8.421 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.303 6.459 10.635 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.898 6.226 11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.588 8.117 8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.749 7.160 10.387 1.00 0.00 H new ATOM 901 N ASN A 62 -11.596 6.186 5.342 1.00 0.00 N ATOM 902 CA ASN A 62 -12.844 5.439 5.447 1.00 0.00 C ATOM 903 C ASN A 62 -12.829 4.223 4.526 1.00 0.00 C ATOM 904 O ASN A 62 -13.732 3.388 4.568 1.00 0.00 O ATOM 905 CB ASN A 62 -14.032 6.339 5.102 1.00 0.00 C ATOM 906 CG ASN A 62 -13.875 7.011 3.751 1.00 0.00 C ATOM 907 OD1 ASN A 62 -12.787 7.027 3.176 1.00 0.00 O ATOM 908 ND2 ASN A 62 -14.965 7.571 3.239 1.00 0.00 N ATOM 0 H ASN A 62 -11.700 7.132 4.975 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.946 5.093 6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.947 5.746 5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.143 7.101 5.873 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.921 8.039 2.334 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.846 7.533 3.751 1.00 0.00 H new ATOM 915 N ALA A 63 -11.795 4.129 3.696 1.00 0.00 N ATOM 916 CA ALA A 63 -11.661 3.014 2.767 1.00 0.00 C ATOM 917 C ALA A 63 -10.505 2.103 3.166 1.00 0.00 C ATOM 918 O ALA A 63 -10.627 0.878 3.128 1.00 0.00 O ATOM 919 CB ALA A 63 -11.463 3.529 1.349 1.00 0.00 C ATOM 0 H ALA A 63 -11.038 4.811 3.648 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.580 2.430 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.364 2.685 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.322 4.133 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.560 4.138 1.306 1.00 0.00 H new ATOM 925 N ILE A 64 -9.386 2.708 3.549 1.00 0.00 N ATOM 926 CA ILE A 64 -8.209 1.950 3.957 1.00 0.00 C ATOM 927 C ILE A 64 -8.171 1.765 5.470 1.00 0.00 C ATOM 928 O ILE A 64 -8.787 2.528 6.215 1.00 0.00 O ATOM 929 CB ILE A 64 -6.910 2.640 3.501 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.776 1.619 3.393 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.536 3.754 4.467 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.679 2.034 2.437 1.00 0.00 C ATOM 0 H ILE A 64 -9.269 3.721 3.585 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.280 0.974 3.477 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.074 3.078 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.345 1.461 4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.188 0.663 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.616 4.233 4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.338 4.492 4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.386 3.337 5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.909 1.263 2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.096 2.164 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.240 2.974 2.772 1.00 0.00 H new ATOM 944 N HIS A 65 -7.442 0.748 5.918 1.00 0.00 N ATOM 945 CA HIS A 65 -7.320 0.465 7.344 1.00 0.00 C ATOM 946 C HIS A 65 -6.107 -0.418 7.620 1.00 0.00 C ATOM 947 O HIS A 65 -5.700 -1.233 6.792 1.00 0.00 O ATOM 948 CB HIS A 65 -8.589 -0.215 7.860 1.00 0.00 C ATOM 949 CG HIS A 65 -9.227 0.502 9.009 1.00 0.00 C ATOM 950 ND1 HIS A 65 -9.865 1.717 8.878 1.00 0.00 N ATOM 951 CD2 HIS A 65 -9.324 0.167 10.317 1.00 0.00 C ATOM 952 CE1 HIS A 65 -10.326 2.100 10.055 1.00 0.00 C ATOM 953 NE2 HIS A 65 -10.011 1.176 10.946 1.00 0.00 N ATOM 0 H HIS A 65 -6.927 0.106 5.315 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.185 1.411 7.868 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.308 -0.290 7.045 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.347 -1.233 8.166 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -9.965 2.239 8.007 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.934 -0.727 10.780 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.868 3.013 10.255 1.00 0.00 H new ATOM 962 N PRO A 66 -5.514 -0.254 8.812 1.00 0.00 N ATOM 963 CA PRO A 66 -4.339 -1.027 9.225 1.00 0.00 C ATOM 964 C PRO A 66 -4.671 -2.493 9.483 1.00 0.00 C ATOM 965 O PRO A 66 -5.536 -2.810 10.298 1.00 0.00 O ATOM 966 CB PRO A 66 -3.902 -0.342 10.522 1.00 0.00 C ATOM 967 CG PRO A 66 -5.141 0.292 11.052 1.00 0.00 C ATOM 968 CD PRO A 66 -5.946 0.699 9.849 1.00 0.00 C ATOM 0 HA PRO A 66 -3.569 -1.041 8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.491 -1.061 11.231 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.126 0.400 10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.699 -0.405 11.677 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.902 1.156 11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.017 0.628 10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.742 1.729 9.558 1.00 0.00 H new ATOM 976 N GLY A 67 -3.976 -3.384 8.782 1.00 0.00 N ATOM 977 CA GLY A 67 -4.212 -4.806 8.950 1.00 0.00 C ATOM 978 C GLY A 67 -4.797 -5.447 7.707 1.00 0.00 C ATOM 979 O GLY A 67 -4.780 -6.670 7.565 1.00 0.00 O ATOM 0 H GLY A 67 -3.254 -3.147 8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.274 -5.300 9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.890 -4.962 9.789 1.00 0.00 H new ATOM 983 N ASP A 68 -5.319 -4.621 6.807 1.00 0.00 N ATOM 984 CA ASP A 68 -5.914 -5.115 5.570 1.00 0.00 C ATOM 985 C ASP A 68 -4.846 -5.691 4.646 1.00 0.00 C ATOM 986 O ASP A 68 -3.661 -5.699 4.979 1.00 0.00 O ATOM 987 CB ASP A 68 -6.670 -3.992 4.859 1.00 0.00 C ATOM 988 CG ASP A 68 -8.174 -4.132 4.992 1.00 0.00 C ATOM 989 OD1 ASP A 68 -8.784 -4.811 4.140 1.00 0.00 O ATOM 990 OD2 ASP A 68 -8.740 -3.563 5.948 1.00 0.00 O ATOM 0 H ASP A 68 -5.342 -3.607 6.910 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.615 -5.910 5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.360 -3.032 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.400 -3.988 3.803 1.00 0.00 H new ATOM 995 N ARG A 69 -5.274 -6.173 3.484 1.00 0.00 N ATOM 996 CA ARG A 69 -4.355 -6.753 2.512 1.00 0.00 C ATOM 997 C ARG A 69 -4.420 -6.001 1.186 1.00 0.00 C ATOM 998 O ARG A 69 -5.466 -5.469 0.814 1.00 0.00 O ATOM 999 CB ARG A 69 -4.681 -8.231 2.289 1.00 0.00 C ATOM 1000 CG ARG A 69 -4.377 -8.716 0.881 1.00 0.00 C ATOM 1001 CD ARG A 69 -4.483 -10.229 0.778 1.00 0.00 C ATOM 1002 NE ARG A 69 -3.520 -10.906 1.643 1.00 0.00 N ATOM 1003 CZ ARG A 69 -3.295 -12.214 1.609 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -3.959 -12.983 0.758 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -2.402 -12.756 2.428 1.00 0.00 N ATOM 0 H ARG A 69 -6.251 -6.173 3.193 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.344 -6.667 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.114 -8.831 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.737 -8.397 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.070 -8.253 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.374 -8.400 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.493 -10.541 1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.319 -10.534 -0.255 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.992 -10.343 2.310 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.645 -12.570 0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.784 -13.988 0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.888 -12.168 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.230 -13.761 2.401 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.296 -5.961 0.478 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.226 -5.275 -0.806 1.00 0.00 C ATOM 1021 C ILE A 70 -3.173 -6.272 -1.959 1.00 0.00 C ATOM 1022 O ILE A 70 -2.361 -7.198 -1.958 1.00 0.00 O ATOM 1023 CB ILE A 70 -1.996 -4.352 -0.884 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.167 -3.157 0.057 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -1.779 -3.879 -2.314 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -0.883 -2.731 0.733 1.00 0.00 C ATOM 0 H ILE A 70 -2.421 -6.396 0.772 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.129 -4.671 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.117 -4.915 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.567 -2.315 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.904 -3.408 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.906 -3.227 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.618 -4.741 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.657 -3.330 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.080 -1.880 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.492 -3.558 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.150 -2.448 -0.023 1.00 0.00 H new ATOM 1038 N LEU A 71 -4.044 -6.075 -2.943 1.00 0.00 N ATOM 1039 CA LEU A 71 -4.097 -6.956 -4.105 1.00 0.00 C ATOM 1040 C LEU A 71 -3.224 -6.418 -5.235 1.00 0.00 C ATOM 1041 O LEU A 71 -2.442 -7.157 -5.832 1.00 0.00 O ATOM 1042 CB LEU A 71 -5.540 -7.109 -4.589 1.00 0.00 C ATOM 1043 CG LEU A 71 -6.552 -7.578 -3.543 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -6.769 -6.503 -2.490 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -7.869 -7.952 -4.206 1.00 0.00 C ATOM 0 H LEU A 71 -4.723 -5.314 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.715 -7.933 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.874 -6.149 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.551 -7.816 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.152 -8.464 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.492 -6.855 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.824 -6.284 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.147 -5.598 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.577 -8.283 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.274 -7.084 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.701 -8.757 -4.921 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.363 -5.127 -5.521 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.586 -4.492 -6.578 1.00 0.00 C ATOM 1059 C GLU A 72 -2.305 -3.030 -6.244 1.00 0.00 C ATOM 1060 O GLU A 72 -3.051 -2.400 -5.494 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.326 -4.588 -7.914 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.679 -6.010 -8.314 1.00 0.00 C ATOM 1063 CD GLU A 72 -4.128 -6.116 -9.758 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -3.922 -5.144 -10.516 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -4.684 -7.170 -10.132 1.00 0.00 O ATOM 0 H GLU A 72 -4.006 -4.501 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.634 -5.017 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.241 -3.998 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.709 -4.143 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.812 -6.653 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.471 -6.380 -7.663 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.224 -2.497 -6.804 1.00 0.00 N ATOM 1073 CA ILE A 73 -0.845 -1.110 -6.566 1.00 0.00 C ATOM 1074 C ILE A 73 -0.585 -0.378 -7.878 1.00 0.00 C ATOM 1075 O ILE A 73 0.181 -0.845 -8.719 1.00 0.00 O ATOM 1076 CB ILE A 73 0.410 -1.014 -5.680 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.188 -1.756 -4.360 1.00 0.00 C ATOM 1078 CG2 ILE A 73 0.766 0.442 -5.421 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.366 -1.673 -3.414 1.00 0.00 C ATOM 0 H ILE A 73 -0.595 -3.005 -7.426 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.681 -0.639 -6.050 1.00 0.00 H new ATOM 0 HB ILE A 73 1.242 -1.484 -6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.693 -1.347 -3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.024 -2.804 -4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.656 0.493 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.962 0.943 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.064 0.935 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.138 -2.221 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.245 -2.109 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.565 -0.629 -3.171 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.228 0.773 -8.044 1.00 0.00 N ATOM 1092 CA ASN A 74 -1.065 1.571 -9.254 1.00 0.00 C ATOM 1093 C ASN A 74 -1.506 0.787 -10.487 1.00 0.00 C ATOM 1094 O ASN A 74 -1.137 1.121 -11.612 1.00 0.00 O ATOM 1095 CB ASN A 74 0.393 2.009 -9.409 1.00 0.00 C ATOM 1096 CG ASN A 74 0.721 3.232 -8.573 1.00 0.00 C ATOM 1097 OD1 ASN A 74 0.011 3.397 -7.463 1.00 0.00 O flip ATOM 1098 ND2 ASN A 74 1.603 4.017 -8.921 1.00 0.00 N flip ATOM 0 H ASN A 74 -1.866 1.174 -7.357 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.695 2.456 -9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.049 1.188 -9.120 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.595 2.224 -10.458 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.123 3.850 -9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.813 4.834 -8.348 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.297 -0.257 -10.265 1.00 0.00 N ATOM 1106 CA GLY A 75 -2.776 -1.072 -11.366 1.00 0.00 C ATOM 1107 C GLY A 75 -1.781 -2.141 -11.772 1.00 0.00 C ATOM 1108 O GLY A 75 -1.596 -2.411 -12.959 1.00 0.00 O ATOM 0 H GLY A 75 -2.615 -0.553 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.716 -1.544 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.987 -0.432 -12.223 1.00 0.00 H new ATOM 1112 N THR A 76 -1.134 -2.752 -10.783 1.00 0.00 N ATOM 1113 CA THR A 76 -0.150 -3.795 -11.043 1.00 0.00 C ATOM 1114 C THR A 76 -0.131 -4.825 -9.919 1.00 0.00 C ATOM 1115 O THR A 76 -0.372 -4.512 -8.753 1.00 0.00 O ATOM 1116 CB THR A 76 1.263 -3.205 -11.207 1.00 0.00 C ATOM 1117 OG1 THR A 76 1.259 -1.817 -10.857 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.757 -3.371 -12.636 1.00 0.00 C ATOM 0 H THR A 76 -1.274 -2.542 -9.795 1.00 0.00 H new ATOM 0 HA THR A 76 -0.443 -4.282 -11.973 1.00 0.00 H new ATOM 0 HB THR A 76 1.937 -3.745 -10.541 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.997 -1.717 -9.918 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.757 -2.947 -12.727 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.788 -4.431 -12.889 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.080 -2.855 -13.317 1.00 0.00 H new ATOM 1126 N PRO A 77 0.161 -6.085 -10.275 1.00 0.00 N ATOM 1127 CA PRO A 77 0.220 -7.187 -9.310 1.00 0.00 C ATOM 1128 C PRO A 77 1.414 -7.071 -8.370 1.00 0.00 C ATOM 1129 O PRO A 77 2.544 -6.853 -8.808 1.00 0.00 O ATOM 1130 CB PRO A 77 0.356 -8.427 -10.197 1.00 0.00 C ATOM 1131 CG PRO A 77 0.978 -7.928 -11.455 1.00 0.00 C ATOM 1132 CD PRO A 77 0.459 -6.530 -11.647 1.00 0.00 C ATOM 0 HA PRO A 77 -0.653 -7.206 -8.658 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.977 -9.187 -9.723 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.615 -8.884 -10.390 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.066 -7.934 -11.382 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.712 -8.563 -12.300 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.199 -5.889 -12.126 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.431 -6.515 -12.277 1.00 0.00 H new ATOM 1140 N VAL A 78 1.158 -7.218 -7.074 1.00 0.00 N ATOM 1141 CA VAL A 78 2.212 -7.132 -6.071 1.00 0.00 C ATOM 1142 C VAL A 78 2.872 -8.488 -5.849 1.00 0.00 C ATOM 1143 O VAL A 78 3.843 -8.603 -5.100 1.00 0.00 O ATOM 1144 CB VAL A 78 1.668 -6.611 -4.727 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.896 -5.317 -4.929 1.00 0.00 C ATOM 1146 CG2 VAL A 78 0.794 -7.665 -4.063 1.00 0.00 C ATOM 0 H VAL A 78 0.229 -7.397 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 78 2.953 -6.429 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 78 2.512 -6.403 -4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.519 -4.964 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.555 -4.563 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.059 -5.494 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.418 -7.281 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.045 -7.906 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.383 -8.564 -3.882 1.00 0.00 H new ATOM 1156 N ARG A 79 2.338 -9.514 -6.504 1.00 0.00 N ATOM 1157 CA ARG A 79 2.874 -10.864 -6.377 1.00 0.00 C ATOM 1158 C ARG A 79 3.915 -11.139 -7.458 1.00 0.00 C ATOM 1159 O ARG A 79 4.614 -12.152 -7.420 1.00 0.00 O ATOM 1160 CB ARG A 79 1.747 -11.894 -6.466 1.00 0.00 C ATOM 1161 CG ARG A 79 0.368 -11.275 -6.631 1.00 0.00 C ATOM 1162 CD ARG A 79 -0.724 -12.333 -6.606 1.00 0.00 C ATOM 1163 NE ARG A 79 -0.785 -13.026 -5.321 1.00 0.00 N ATOM 1164 CZ ARG A 79 -1.338 -12.506 -4.231 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -1.876 -11.294 -4.270 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -1.355 -13.198 -3.100 1.00 0.00 N ATOM 0 H ARG A 79 1.535 -9.436 -7.128 1.00 0.00 H new ATOM 0 HA ARG A 79 3.356 -10.946 -5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.940 -12.560 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.755 -12.508 -5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.194 -10.553 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.324 -10.727 -7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.687 -11.865 -6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.545 -13.057 -7.401 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.381 -13.960 -5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.866 -10.759 -5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.300 -10.897 -3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.943 -14.131 -3.066 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.780 -12.798 -2.264 1.00 0.00 H new ATOM 1180 N THR A 80 4.014 -10.229 -8.423 1.00 0.00 N ATOM 1181 CA THR A 80 4.967 -10.374 -9.515 1.00 0.00 C ATOM 1182 C THR A 80 5.925 -9.189 -9.570 1.00 0.00 C ATOM 1183 O THR A 80 7.018 -9.286 -10.129 1.00 0.00 O ATOM 1184 CB THR A 80 4.251 -10.504 -10.873 1.00 0.00 C ATOM 1185 OG1 THR A 80 4.038 -9.206 -11.440 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.918 -11.218 -10.715 1.00 0.00 C ATOM 0 H THR A 80 3.445 -9.384 -8.469 1.00 0.00 H new ATOM 0 HA THR A 80 5.532 -11.286 -9.322 1.00 0.00 H new ATOM 0 HB THR A 80 4.884 -11.092 -11.538 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.584 -9.297 -12.304 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.431 -11.298 -11.687 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.086 -12.216 -10.310 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.281 -10.653 -10.035 1.00 0.00 H new ATOM 1194 N LEU A 81 5.509 -8.071 -8.986 1.00 0.00 N ATOM 1195 CA LEU A 81 6.331 -6.866 -8.967 1.00 0.00 C ATOM 1196 C LEU A 81 7.553 -7.054 -8.073 1.00 0.00 C ATOM 1197 O LEU A 81 7.457 -7.624 -6.986 1.00 0.00 O ATOM 1198 CB LEU A 81 5.509 -5.671 -8.481 1.00 0.00 C ATOM 1199 CG LEU A 81 4.668 -4.959 -9.541 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.727 -3.957 -8.892 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.566 -4.269 -10.558 1.00 0.00 C ATOM 0 H LEU A 81 4.607 -7.974 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 81 6.673 -6.674 -9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.844 -6.012 -7.687 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.189 -4.944 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 81 4.067 -5.705 -10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.137 -3.460 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.061 -4.477 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.308 -3.214 -8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.951 -3.767 -11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.193 -3.535 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.198 -5.010 -11.047 1.00 0.00 H new ATOM 1213 N ARG A 82 8.700 -6.570 -8.538 1.00 0.00 N ATOM 1214 CA ARG A 82 9.940 -6.684 -7.780 1.00 0.00 C ATOM 1215 C ARG A 82 9.829 -5.956 -6.443 1.00 0.00 C ATOM 1216 O ARG A 82 9.207 -4.898 -6.350 1.00 0.00 O ATOM 1217 CB ARG A 82 11.109 -6.115 -8.587 1.00 0.00 C ATOM 1218 CG ARG A 82 11.319 -6.806 -9.924 1.00 0.00 C ATOM 1219 CD ARG A 82 11.977 -8.167 -9.751 1.00 0.00 C ATOM 1220 NE ARG A 82 13.083 -8.363 -10.684 1.00 0.00 N ATOM 1221 CZ ARG A 82 14.188 -7.625 -10.680 1.00 0.00 C ATOM 1222 NH1 ARG A 82 14.332 -6.648 -9.795 1.00 0.00 N ATOM 1223 NH2 ARG A 82 15.150 -7.864 -11.561 1.00 0.00 N ATOM 0 H ARG A 82 8.796 -6.095 -9.436 1.00 0.00 H new ATOM 0 HA ARG A 82 10.122 -7.741 -7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.937 -5.053 -8.760 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.022 -6.199 -7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.360 -6.926 -10.427 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.939 -6.180 -10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.343 -8.265 -8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.234 -8.950 -9.900 1.00 0.00 H new ATOM 0 HE ARG A 82 13.003 -9.107 -11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.594 -6.462 -9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.181 -6.082 -9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.042 -8.615 -12.243 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.998 -7.297 -11.557 1.00 0.00 H new ATOM 1237 N VAL A 83 10.436 -6.532 -5.410 1.00 0.00 N ATOM 1238 CA VAL A 83 10.407 -5.939 -4.079 1.00 0.00 C ATOM 1239 C VAL A 83 10.531 -4.421 -4.150 1.00 0.00 C ATOM 1240 O VAL A 83 9.726 -3.695 -3.569 1.00 0.00 O ATOM 1241 CB VAL A 83 11.537 -6.494 -3.192 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.455 -5.906 -1.791 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.478 -8.014 -3.145 1.00 0.00 C ATOM 0 H VAL A 83 10.954 -7.409 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 83 9.446 -6.202 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 83 12.493 -6.202 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.261 -6.310 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.549 -4.821 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.495 -6.165 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.283 -8.390 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.518 -8.328 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.590 -8.414 -4.153 1.00 0.00 H new ATOM 1253 N GLU A 84 11.546 -3.949 -4.868 1.00 0.00 N ATOM 1254 CA GLU A 84 11.775 -2.517 -5.016 1.00 0.00 C ATOM 1255 C GLU A 84 10.546 -1.826 -5.600 1.00 0.00 C ATOM 1256 O GLU A 84 10.199 -0.714 -5.202 1.00 0.00 O ATOM 1257 CB GLU A 84 12.991 -2.262 -5.910 1.00 0.00 C ATOM 1258 CG GLU A 84 13.000 -3.099 -7.177 1.00 0.00 C ATOM 1259 CD GLU A 84 14.046 -2.638 -8.173 1.00 0.00 C ATOM 1260 OE1 GLU A 84 15.246 -2.659 -7.826 1.00 0.00 O ATOM 1261 OE2 GLU A 84 13.666 -2.255 -9.300 1.00 0.00 O ATOM 0 H GLU A 84 12.222 -4.537 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 84 11.967 -2.102 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.017 -1.207 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.898 -2.468 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.185 -4.142 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.016 -3.056 -7.643 1.00 0.00 H new ATOM 1268 N GLU A 85 9.894 -2.493 -6.547 1.00 0.00 N ATOM 1269 CA GLU A 85 8.705 -1.943 -7.187 1.00 0.00 C ATOM 1270 C GLU A 85 7.545 -1.858 -6.199 1.00 0.00 C ATOM 1271 O GLU A 85 6.795 -0.882 -6.187 1.00 0.00 O ATOM 1272 CB GLU A 85 8.303 -2.799 -8.389 1.00 0.00 C ATOM 1273 CG GLU A 85 8.963 -2.371 -9.689 1.00 0.00 C ATOM 1274 CD GLU A 85 8.344 -1.114 -10.271 1.00 0.00 C ATOM 1275 OE1 GLU A 85 7.371 -0.603 -9.679 1.00 0.00 O ATOM 1276 OE2 GLU A 85 8.834 -0.643 -11.319 1.00 0.00 O ATOM 0 H GLU A 85 10.169 -3.414 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 85 8.942 -0.936 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.560 -3.839 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.221 -2.756 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.025 -2.201 -9.514 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.885 -3.180 -10.415 1.00 0.00 H new ATOM 1283 N VAL A 86 7.404 -2.888 -5.371 1.00 0.00 N ATOM 1284 CA VAL A 86 6.337 -2.931 -4.378 1.00 0.00 C ATOM 1285 C VAL A 86 6.552 -1.881 -3.294 1.00 0.00 C ATOM 1286 O VAL A 86 5.599 -1.412 -2.673 1.00 0.00 O ATOM 1287 CB VAL A 86 6.237 -4.320 -3.721 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.926 -4.459 -2.962 1.00 0.00 C ATOM 1289 CG2 VAL A 86 6.376 -5.416 -4.767 1.00 0.00 C ATOM 0 H VAL A 86 8.016 -3.704 -5.368 1.00 0.00 H new ATOM 0 HA VAL A 86 5.406 -2.719 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 86 7.055 -4.425 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.873 -5.447 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.873 -3.696 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.091 -4.334 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.303 -6.391 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.581 -5.316 -5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.344 -5.327 -5.261 1.00 0.00 H new ATOM 1299 N GLU A 87 7.812 -1.518 -3.071 1.00 0.00 N ATOM 1300 CA GLU A 87 8.152 -0.524 -2.060 1.00 0.00 C ATOM 1301 C GLU A 87 8.033 0.889 -2.625 1.00 0.00 C ATOM 1302 O GLU A 87 7.288 1.717 -2.100 1.00 0.00 O ATOM 1303 CB GLU A 87 9.572 -0.759 -1.540 1.00 0.00 C ATOM 1304 CG GLU A 87 9.698 -1.980 -0.644 1.00 0.00 C ATOM 1305 CD GLU A 87 9.066 -1.772 0.718 1.00 0.00 C ATOM 1306 OE1 GLU A 87 8.428 -0.717 0.921 1.00 0.00 O ATOM 1307 OE2 GLU A 87 9.210 -2.662 1.582 1.00 0.00 O ATOM 0 H GLU A 87 8.613 -1.897 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 87 7.448 -0.627 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.247 -0.870 -2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.898 0.122 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.228 -2.834 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.752 -2.226 -0.517 1.00 0.00 H new ATOM 1314 N ASP A 88 8.771 1.155 -3.696 1.00 0.00 N ATOM 1315 CA ASP A 88 8.749 2.467 -4.333 1.00 0.00 C ATOM 1316 C ASP A 88 7.324 3.006 -4.416 1.00 0.00 C ATOM 1317 O ASP A 88 7.057 4.144 -4.029 1.00 0.00 O ATOM 1318 CB ASP A 88 9.360 2.389 -5.733 1.00 0.00 C ATOM 1319 CG ASP A 88 10.657 3.167 -5.843 1.00 0.00 C ATOM 1320 OD1 ASP A 88 11.436 3.162 -4.867 1.00 0.00 O ATOM 1321 OD2 ASP A 88 10.892 3.779 -6.905 1.00 0.00 O ATOM 0 H ASP A 88 9.392 0.480 -4.142 1.00 0.00 H new ATOM 0 HA ASP A 88 9.342 3.149 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.543 1.345 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.645 2.775 -6.460 1.00 0.00 H new ATOM 1326 N ALA A 89 6.414 2.183 -4.925 1.00 0.00 N ATOM 1327 CA ALA A 89 5.017 2.577 -5.058 1.00 0.00 C ATOM 1328 C ALA A 89 4.564 3.408 -3.862 1.00 0.00 C ATOM 1329 O ALA A 89 3.905 4.435 -4.023 1.00 0.00 O ATOM 1330 CB ALA A 89 4.134 1.347 -5.213 1.00 0.00 C ATOM 0 H ALA A 89 6.619 1.239 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 89 4.923 3.194 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.093 1.656 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.434 0.794 -6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.242 0.709 -4.336 1.00 0.00 H new ATOM 1336 N ILE A 90 4.922 2.956 -2.665 1.00 0.00 N ATOM 1337 CA ILE A 90 4.552 3.659 -1.442 1.00 0.00 C ATOM 1338 C ILE A 90 5.368 4.936 -1.274 1.00 0.00 C ATOM 1339 O ILE A 90 4.853 5.962 -0.831 1.00 0.00 O ATOM 1340 CB ILE A 90 4.749 2.770 -0.200 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.552 1.296 -0.564 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.787 3.181 0.904 1.00 0.00 C ATOM 1343 CD1 ILE A 90 3.351 1.048 -1.449 1.00 0.00 C ATOM 0 H ILE A 90 5.467 2.107 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 90 3.496 3.914 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 90 5.768 2.902 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.447 0.932 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.444 0.715 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.939 2.543 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.971 4.220 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.761 3.075 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.273 -0.017 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.448 1.381 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.465 1.601 -2.381 1.00 0.00 H new ATOM 1355 N LYS A 91 6.646 4.866 -1.633 1.00 0.00 N ATOM 1356 CA LYS A 91 7.535 6.017 -1.526 1.00 0.00 C ATOM 1357 C LYS A 91 7.130 7.111 -2.509 1.00 0.00 C ATOM 1358 O LYS A 91 7.403 8.290 -2.285 1.00 0.00 O ATOM 1359 CB LYS A 91 8.983 5.595 -1.785 1.00 0.00 C ATOM 1360 CG LYS A 91 9.480 4.515 -0.840 1.00 0.00 C ATOM 1361 CD LYS A 91 10.995 4.402 -0.870 1.00 0.00 C ATOM 1362 CE LYS A 91 11.446 2.950 -0.865 1.00 0.00 C ATOM 1363 NZ LYS A 91 11.380 2.353 0.498 1.00 0.00 N ATOM 0 H LYS A 91 7.089 4.024 -2.001 1.00 0.00 H new ATOM 0 HA LYS A 91 7.454 6.414 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.070 5.237 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.629 6.469 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.151 4.739 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.037 3.558 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.380 4.901 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.416 4.918 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.819 2.373 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.467 2.886 -1.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.695 1.363 0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.997 2.888 1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.401 2.391 0.847 1.00 0.00 H new ATOM 1377 N GLN A 92 6.476 6.712 -3.595 1.00 0.00 N ATOM 1378 CA GLN A 92 6.033 7.660 -4.611 1.00 0.00 C ATOM 1379 C GLN A 92 5.190 8.769 -3.990 1.00 0.00 C ATOM 1380 O GLN A 92 3.960 8.701 -3.986 1.00 0.00 O ATOM 1381 CB GLN A 92 5.231 6.940 -5.696 1.00 0.00 C ATOM 1382 CG GLN A 92 6.079 6.465 -6.865 1.00 0.00 C ATOM 1383 CD GLN A 92 5.706 7.143 -8.169 1.00 0.00 C ATOM 1384 OE1 GLN A 92 4.527 7.264 -8.504 1.00 0.00 O ATOM 1385 NE2 GLN A 92 6.711 7.589 -8.913 1.00 0.00 N ATOM 0 H GLN A 92 6.241 5.740 -3.794 1.00 0.00 H new ATOM 0 HA GLN A 92 6.917 8.110 -5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.725 6.082 -5.253 1.00 0.00 H new ATOM 0 HB3 GLN A 92 4.456 7.610 -6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.130 6.656 -6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.967 5.386 -6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.673 7.467 -8.597 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.521 8.053 -9.801 1.00 0.00 H new ATOM 1394 N THR A 93 5.859 9.791 -3.464 1.00 0.00 N ATOM 1395 CA THR A 93 5.171 10.913 -2.838 1.00 0.00 C ATOM 1396 C THR A 93 5.090 12.105 -3.786 1.00 0.00 C ATOM 1397 O THR A 93 5.734 13.130 -3.566 1.00 0.00 O ATOM 1398 CB THR A 93 5.876 11.351 -1.540 1.00 0.00 C ATOM 1399 OG1 THR A 93 7.120 11.990 -1.850 1.00 0.00 O ATOM 1400 CG2 THR A 93 6.126 10.157 -0.631 1.00 0.00 C ATOM 0 H THR A 93 6.876 9.864 -3.459 1.00 0.00 H new ATOM 0 HA THR A 93 4.164 10.573 -2.598 1.00 0.00 H new ATOM 0 HB THR A 93 5.227 12.055 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.949 12.809 -2.359 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.625 10.491 0.279 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.175 9.690 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.758 9.433 -1.146 1.00 0.00 H new ATOM 1408 N SER A 94 4.292 11.963 -4.840 1.00 0.00 N ATOM 1409 CA SER A 94 4.129 13.028 -5.823 1.00 0.00 C ATOM 1410 C SER A 94 2.986 12.710 -6.783 1.00 0.00 C ATOM 1411 O SER A 94 2.223 13.595 -7.169 1.00 0.00 O ATOM 1412 CB SER A 94 5.427 13.231 -6.606 1.00 0.00 C ATOM 1413 OG SER A 94 5.177 13.853 -7.855 1.00 0.00 O ATOM 0 H SER A 94 3.749 11.122 -5.035 1.00 0.00 H new ATOM 0 HA SER A 94 3.888 13.948 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.115 13.843 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.913 12.269 -6.766 1.00 0.00 H new ATOM 0 HG SER A 94 6.023 13.973 -8.336 1.00 0.00 H new ATOM 1419 N GLN A 95 2.877 11.441 -7.162 1.00 0.00 N ATOM 1420 CA GLN A 95 1.828 11.006 -8.078 1.00 0.00 C ATOM 1421 C GLN A 95 0.690 10.331 -7.320 1.00 0.00 C ATOM 1422 O GLN A 95 0.756 10.159 -6.102 1.00 0.00 O ATOM 1423 CB GLN A 95 2.400 10.047 -9.123 1.00 0.00 C ATOM 1424 CG GLN A 95 3.688 10.541 -9.762 1.00 0.00 C ATOM 1425 CD GLN A 95 3.646 10.488 -11.276 1.00 0.00 C ATOM 1426 OE1 GLN A 95 3.770 9.419 -11.875 1.00 0.00 O ATOM 1427 NE2 GLN A 95 3.470 11.645 -11.905 1.00 0.00 N ATOM 0 H GLN A 95 3.501 10.697 -6.850 1.00 0.00 H new ATOM 0 HA GLN A 95 1.432 11.887 -8.582 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.584 9.080 -8.654 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.656 9.887 -9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.877 11.566 -9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.522 9.937 -9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.372 12.507 -11.369 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.433 11.671 -12.924 1.00 0.00 H new ATOM 1436 N THR A 96 -0.356 9.951 -8.048 1.00 0.00 N ATOM 1437 CA THR A 96 -1.509 9.296 -7.445 1.00 0.00 C ATOM 1438 C THR A 96 -1.181 7.862 -7.045 1.00 0.00 C ATOM 1439 O THR A 96 -0.690 7.077 -7.857 1.00 0.00 O ATOM 1440 CB THR A 96 -2.715 9.286 -8.404 1.00 0.00 C ATOM 1441 OG1 THR A 96 -2.908 10.591 -8.961 1.00 0.00 O ATOM 1442 CG2 THR A 96 -3.978 8.845 -7.680 1.00 0.00 C ATOM 0 H THR A 96 -0.427 10.086 -9.056 1.00 0.00 H new ATOM 0 HA THR A 96 -1.767 9.869 -6.554 1.00 0.00 H new ATOM 0 HB THR A 96 -2.509 8.577 -9.205 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.675 10.576 -9.571 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.816 8.846 -8.377 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.837 7.840 -7.283 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.187 9.533 -6.861 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.455 7.526 -5.789 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.189 6.184 -5.281 1.00 0.00 C ATOM 1452 C LEU A 97 -2.479 5.378 -5.171 1.00 0.00 C ATOM 1453 O LEU A 97 -3.312 5.638 -4.303 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.505 6.262 -3.915 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.678 5.043 -3.007 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.413 3.760 -3.779 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.243 5.142 -1.800 1.00 0.00 C ATOM 0 H LEU A 97 -1.861 8.164 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.526 5.680 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.561 6.424 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.886 7.138 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.708 5.022 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.541 2.904 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.114 3.684 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.606 3.771 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.106 4.266 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.279 5.189 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.004 6.042 -1.233 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.636 4.398 -6.055 1.00 0.00 N ATOM 1470 CA GLN A 98 -3.824 3.553 -6.056 1.00 0.00 C ATOM 1471 C GLN A 98 -3.605 2.305 -5.207 1.00 0.00 C ATOM 1472 O GLN A 98 -2.651 1.556 -5.420 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.190 3.153 -7.486 1.00 0.00 C ATOM 1474 CG GLN A 98 -5.671 2.864 -7.677 1.00 0.00 C ATOM 1475 CD GLN A 98 -5.924 1.760 -8.684 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -5.198 0.766 -8.730 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -6.960 1.927 -9.498 1.00 0.00 N ATOM 0 H GLN A 98 -1.955 4.170 -6.780 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.646 4.125 -5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.894 3.952 -8.165 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.617 2.269 -7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.109 2.584 -6.719 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.175 3.773 -8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.535 2.766 -9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.180 1.216 -10.196 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.494 2.088 -4.244 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.398 0.930 -3.361 1.00 0.00 C ATOM 1488 C LEU A 99 -5.666 0.085 -3.431 1.00 0.00 C ATOM 1489 O LEU A 99 -6.778 0.614 -3.412 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.151 1.381 -1.921 1.00 0.00 C ATOM 1491 CG LEU A 99 -2.884 2.205 -1.683 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -2.971 2.946 -0.358 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.653 1.312 -1.718 1.00 0.00 C ATOM 0 H LEU A 99 -5.289 2.698 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.558 0.320 -3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.009 1.968 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.109 0.496 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.796 2.941 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.061 3.527 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.831 3.616 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.083 2.228 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.761 1.915 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.732 0.552 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.582 0.828 -2.692 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.491 -1.229 -3.510 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.622 -2.148 -3.580 1.00 0.00 C ATOM 1507 C LEU A 100 -6.760 -2.941 -2.284 1.00 0.00 C ATOM 1508 O LEU A 100 -5.774 -3.441 -1.742 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.453 -3.106 -4.761 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.719 -3.823 -5.229 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -8.854 -2.830 -5.424 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.453 -4.590 -6.517 1.00 0.00 C ATOM 0 H LEU A 100 -4.577 -1.682 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.528 -1.560 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.045 -2.546 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.712 -3.858 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.015 -4.536 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.747 -3.359 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.062 -2.325 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.568 -2.093 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.365 -5.094 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.132 -3.896 -7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.671 -5.330 -6.345 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.990 -3.052 -1.794 1.00 0.00 N ATOM 1525 CA ILE A 101 -8.258 -3.786 -0.563 1.00 0.00 C ATOM 1526 C ILE A 101 -9.243 -4.925 -0.806 1.00 0.00 C ATOM 1527 O ILE A 101 -10.186 -4.787 -1.584 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.821 -2.862 0.533 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -8.564 -1.396 0.176 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -8.201 -3.201 1.881 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -7.097 -1.029 0.151 1.00 0.00 C ATOM 0 H ILE A 101 -8.817 -2.643 -2.230 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.306 -4.196 -0.227 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.898 -3.017 0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.999 -1.187 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.077 -0.759 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.609 -2.540 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.430 -4.236 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.120 -3.071 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.990 0.024 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.661 -1.206 1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.582 -1.640 -0.590 1.00 0.00 H new ATOM 1543 N GLU A 102 -9.016 -6.049 -0.134 1.00 0.00 N ATOM 1544 CA GLU A 102 -9.884 -7.212 -0.276 1.00 0.00 C ATOM 1545 C GLU A 102 -10.893 -7.281 0.866 1.00 0.00 C ATOM 1546 O GLU A 102 -10.538 -7.120 2.034 1.00 0.00 O ATOM 1547 CB GLU A 102 -9.052 -8.496 -0.314 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.779 -9.674 -0.940 1.00 0.00 C ATOM 1549 CD GLU A 102 -8.830 -10.701 -1.526 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -7.926 -11.157 -0.796 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -8.991 -11.048 -2.715 1.00 0.00 O ATOM 0 H GLU A 102 -8.239 -6.179 0.514 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.430 -7.113 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.135 -8.308 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.759 -8.759 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.405 -10.152 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.444 -9.311 -1.723 1.00 0.00 H new ATOM 1558 N HIS A 103 -12.154 -7.521 0.521 1.00 0.00 N ATOM 1559 CA HIS A 103 -13.216 -7.611 1.517 1.00 0.00 C ATOM 1560 C HIS A 103 -13.892 -8.978 1.467 1.00 0.00 C ATOM 1561 O HIS A 103 -14.132 -9.524 0.390 1.00 0.00 O ATOM 1562 CB HIS A 103 -14.251 -6.509 1.291 1.00 0.00 C ATOM 1563 CG HIS A 103 -14.545 -5.703 2.519 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -15.361 -4.592 2.512 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -14.128 -5.855 3.798 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -15.432 -4.093 3.734 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -14.693 -4.842 4.533 1.00 0.00 N ATOM 0 H HIS A 103 -12.465 -7.657 -0.441 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.768 -7.482 2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -13.895 -5.843 0.506 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -15.176 -6.959 0.931 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.473 -6.629 4.171 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -15.998 -3.222 4.029 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -14.563 -4.692 5.534 1.00 0.00 H new