USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 728 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 57 GLN : amide:sc= -0.509 K(o=1.1,f=-5.3!) USER MOD Set 1.2: A 79 SER OG : rot -76:sc= 1.64 USER MOD Single : A 20 GLN : amide:sc= -0.0963 X(o=-0.096,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.9!) USER MOD Single : A 46 THR OG1 : rot -166:sc= -4.8! USER MOD Single : A 47 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.88) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0572) USER MOD Single : A 53 CYS SG : rot -30:sc= -6.65! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.218 K(o=0.22,f=-4.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0225) USER MOD Single : A 73 GLN : amide:sc= -3.11 K(o=-3.1,f=-7.5!) USER MOD Single : A 77 ASN : amide:sc= -0.564 X(o=-0.56,f=-0.29) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0786 K(o=-0.079,f=-1.7!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.495 USER MOD Single : A 93 SER OG : rot 20:sc= 0.158 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N LEU A 17 -5.139 -6.274 -2.190 1.00 0.00 N ATOM 204 CA LEU A 17 -3.826 -5.760 -1.837 1.00 0.00 C ATOM 205 C LEU A 17 -3.845 -5.282 -0.384 1.00 0.00 C ATOM 206 O LEU A 17 -4.904 -4.968 0.157 1.00 0.00 O ATOM 207 CB LEU A 17 -3.386 -4.685 -2.833 1.00 0.00 C ATOM 208 CG LEU A 17 -3.321 -5.115 -4.299 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.162 -4.189 -5.180 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.871 -5.204 -4.781 1.00 0.00 C ATOM 0 HA LEU A 17 -3.077 -6.549 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.071 -3.841 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.401 -4.325 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.749 -6.114 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.098 -4.517 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.201 -4.220 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.786 -3.169 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.853 -5.512 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.394 -4.229 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.332 -5.935 -4.179 1.00 0.00 H new ATOM 222 N TRP A 18 -2.660 -5.243 0.208 1.00 0.00 N ATOM 223 CA TRP A 18 -2.526 -4.809 1.588 1.00 0.00 C ATOM 224 C TRP A 18 -1.042 -4.563 1.865 1.00 0.00 C ATOM 225 O TRP A 18 -0.180 -5.113 1.180 1.00 0.00 O ATOM 226 CB TRP A 18 -3.153 -5.825 2.545 1.00 0.00 C ATOM 227 CG TRP A 18 -2.633 -7.252 2.365 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.031 -8.170 1.473 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.595 -7.893 3.137 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.329 -9.350 1.613 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.428 -9.176 2.657 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.822 -7.404 4.206 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.494 -10.076 3.185 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.106 -8.316 4.722 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.286 -9.611 4.250 1.00 0.00 C ATOM 0 H TRP A 18 -1.784 -5.505 -0.243 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.069 -3.879 1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.965 -5.507 3.570 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.234 -5.823 2.404 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.804 -8.007 0.737 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.449 -10.194 1.053 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.936 -6.404 4.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.382 -11.075 2.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.726 -7.991 5.545 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.025 -10.256 4.703 1.00 0.00 H new ATOM 246 N LEU A 19 -0.789 -3.738 2.869 1.00 0.00 N ATOM 247 CA LEU A 19 0.577 -3.413 3.245 1.00 0.00 C ATOM 248 C LEU A 19 1.014 -4.321 4.396 1.00 0.00 C ATOM 249 O LEU A 19 0.216 -4.645 5.274 1.00 0.00 O ATOM 250 CB LEU A 19 0.706 -1.920 3.556 1.00 0.00 C ATOM 251 CG LEU A 19 0.157 -0.964 2.495 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.435 -1.491 1.086 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.331 -0.689 2.722 1.00 0.00 C ATOM 0 H LEU A 19 -1.506 -3.284 3.434 1.00 0.00 H new ATOM 0 HA LEU A 19 1.256 -3.602 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.194 -1.720 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.760 -1.691 3.712 1.00 0.00 H new ATOM 0 HG LEU A 19 0.678 -0.011 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.035 -0.793 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.511 -1.593 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.042 -2.463 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.696 -0.007 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.886 -1.625 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.472 -0.239 3.704 1.00 0.00 H new ATOM 265 N GLN A 20 2.282 -4.706 4.355 1.00 0.00 N ATOM 266 CA GLN A 20 2.835 -5.570 5.383 1.00 0.00 C ATOM 267 C GLN A 20 3.770 -4.776 6.297 1.00 0.00 C ATOM 268 O GLN A 20 4.917 -4.512 5.940 1.00 0.00 O ATOM 269 CB GLN A 20 3.560 -6.766 4.763 1.00 0.00 C ATOM 270 CG GLN A 20 3.717 -7.899 5.778 1.00 0.00 C ATOM 271 CD GLN A 20 4.509 -9.065 5.181 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.640 -9.335 5.552 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.855 -9.737 4.239 1.00 0.00 N ATOM 0 H GLN A 20 2.941 -4.435 3.626 1.00 0.00 H new ATOM 0 HA GLN A 20 2.013 -5.958 5.985 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.004 -7.124 3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.542 -6.455 4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.225 -7.527 6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.734 -8.247 6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.910 -9.458 3.976 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.298 -10.532 3.779 1.00 0.00 H new ATOM 349 N PRO A 27 -1.388 -3.535 12.092 1.00 0.00 N ATOM 350 CA PRO A 27 -1.691 -4.733 11.329 1.00 0.00 C ATOM 351 C PRO A 27 -1.711 -4.437 9.828 1.00 0.00 C ATOM 352 O PRO A 27 -1.606 -3.282 9.418 1.00 0.00 O ATOM 353 CB PRO A 27 -3.034 -5.208 11.858 1.00 0.00 C ATOM 354 CG PRO A 27 -3.650 -4.011 12.565 1.00 0.00 C ATOM 355 CD PRO A 27 -2.558 -2.972 12.759 1.00 0.00 C ATOM 0 HA PRO A 27 -0.934 -5.509 11.447 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.674 -5.554 11.046 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.909 -6.046 12.544 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.469 -3.599 11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.068 -4.309 13.526 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.840 -2.014 12.322 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.364 -2.795 13.817 1.00 0.00 H new ATOM 363 N PRO A 28 -1.849 -5.528 9.028 1.00 0.00 N ATOM 364 CA PRO A 28 -1.884 -5.397 7.582 1.00 0.00 C ATOM 365 C PRO A 28 -3.230 -4.840 7.114 1.00 0.00 C ATOM 366 O PRO A 28 -4.234 -5.552 7.113 1.00 0.00 O ATOM 367 CB PRO A 28 -1.603 -6.794 7.053 1.00 0.00 C ATOM 368 CG PRO A 28 -1.881 -7.741 8.208 1.00 0.00 C ATOM 369 CD PRO A 28 -1.976 -6.911 9.479 1.00 0.00 C ATOM 0 HA PRO A 28 -1.147 -4.688 7.206 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.239 -7.023 6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.571 -6.883 6.715 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.809 -8.288 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.086 -8.482 8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.925 -7.076 9.990 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.186 -7.172 10.183 1.00 0.00 H new ATOM 377 N ILE A 29 -3.209 -3.573 6.728 1.00 0.00 N ATOM 378 CA ILE A 29 -4.415 -2.913 6.259 1.00 0.00 C ATOM 379 C ILE A 29 -4.691 -3.331 4.814 1.00 0.00 C ATOM 380 O ILE A 29 -3.765 -3.469 4.016 1.00 0.00 O ATOM 381 CB ILE A 29 -4.307 -1.399 6.452 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.261 -1.037 7.938 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.436 -0.671 5.719 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.930 -0.375 8.300 1.00 0.00 C ATOM 0 H ILE A 29 -2.375 -2.986 6.731 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.275 -3.226 6.851 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.368 -1.065 6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.083 -0.363 8.177 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.400 -1.935 8.539 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.336 0.404 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.380 -0.892 4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.398 -1.005 6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.923 -0.128 9.362 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.111 -1.061 8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.806 0.536 7.715 1.00 0.00 H new ATOM 396 N PHE A 30 -5.969 -3.521 4.520 1.00 0.00 N ATOM 397 CA PHE A 30 -6.379 -3.920 3.184 1.00 0.00 C ATOM 398 C PHE A 30 -6.985 -2.741 2.421 1.00 0.00 C ATOM 399 O PHE A 30 -8.042 -2.234 2.792 1.00 0.00 O ATOM 400 CB PHE A 30 -7.443 -5.007 3.349 1.00 0.00 C ATOM 401 CG PHE A 30 -6.876 -6.388 3.685 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.673 -6.742 4.982 1.00 0.00 C ATOM 403 CD2 PHE A 30 -6.576 -7.261 2.686 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.147 -8.024 5.294 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.050 -8.542 2.998 1.00 0.00 C ATOM 406 CZ PHE A 30 -5.847 -8.897 4.295 1.00 0.00 C ATOM 0 H PHE A 30 -6.734 -3.406 5.184 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.516 -4.277 2.621 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.134 -4.708 4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.021 -5.077 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.912 -6.049 5.775 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.738 -6.980 1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.985 -8.305 6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.811 -9.235 2.205 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.448 -9.872 4.532 1.00 0.00 H new ATOM 416 N LEU A 31 -6.288 -2.338 1.368 1.00 0.00 N ATOM 417 CA LEU A 31 -6.744 -1.228 0.549 1.00 0.00 C ATOM 418 C LEU A 31 -8.063 -1.607 -0.127 1.00 0.00 C ATOM 419 O LEU A 31 -8.392 -2.787 -0.237 1.00 0.00 O ATOM 420 CB LEU A 31 -5.651 -0.802 -0.432 1.00 0.00 C ATOM 421 CG LEU A 31 -4.213 -0.898 0.082 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.262 -0.077 -0.791 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.130 -0.494 1.556 1.00 0.00 C ATOM 0 H LEU A 31 -5.411 -2.761 1.064 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.942 -0.354 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.737 -1.415 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.841 0.229 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.895 -1.938 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.247 -0.163 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.293 -0.452 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.568 0.969 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.098 -0.571 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.475 0.534 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.759 -1.157 2.151 1.00 0.00 H new ATOM 435 N PRO A 32 -8.803 -0.556 -0.573 1.00 0.00 N ATOM 436 CA PRO A 32 -10.079 -0.767 -1.235 1.00 0.00 C ATOM 437 C PRO A 32 -9.878 -1.276 -2.664 1.00 0.00 C ATOM 438 O PRO A 32 -9.186 -0.644 -3.460 1.00 0.00 O ATOM 439 CB PRO A 32 -10.779 0.581 -1.178 1.00 0.00 C ATOM 440 CG PRO A 32 -9.689 1.606 -0.905 1.00 0.00 C ATOM 441 CD PRO A 32 -8.445 0.855 -0.459 1.00 0.00 C ATOM 0 HA PRO A 32 -10.682 -1.535 -0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.290 0.795 -2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.535 0.596 -0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.481 2.190 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.009 2.307 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.589 1.098 -1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.172 1.113 0.564 1.00 0.00 H new ATOM 449 N SER A 33 -10.496 -2.415 -2.944 1.00 0.00 N ATOM 450 CA SER A 33 -10.393 -3.016 -4.262 1.00 0.00 C ATOM 451 C SER A 33 -11.324 -2.296 -5.240 1.00 0.00 C ATOM 452 O SER A 33 -11.109 -2.336 -6.451 1.00 0.00 O ATOM 453 CB SER A 33 -10.727 -4.509 -4.214 1.00 0.00 C ATOM 454 OG SER A 33 -9.887 -5.215 -3.305 1.00 0.00 O ATOM 0 H SER A 33 -11.069 -2.936 -2.281 1.00 0.00 H new ATOM 0 HA SER A 33 -9.364 -2.912 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.769 -4.638 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.622 -4.936 -5.211 1.00 0.00 H new ATOM 0 HG SER A 33 -10.133 -6.164 -3.302 1.00 0.00 H new ATOM 460 N ASP A 34 -12.337 -1.654 -4.679 1.00 0.00 N ATOM 461 CA ASP A 34 -13.301 -0.925 -5.486 1.00 0.00 C ATOM 462 C ASP A 34 -12.561 0.067 -6.385 1.00 0.00 C ATOM 463 O ASP A 34 -12.984 0.325 -7.511 1.00 0.00 O ATOM 464 CB ASP A 34 -14.270 -0.133 -4.606 1.00 0.00 C ATOM 465 CG ASP A 34 -15.747 -0.275 -4.980 1.00 0.00 C ATOM 466 OD1 ASP A 34 -16.258 -1.408 -4.853 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.331 0.754 -5.385 1.00 0.00 O ATOM 0 H ASP A 34 -12.512 -1.623 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.861 -1.649 -6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.141 -0.451 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.999 0.922 -4.651 1.00 0.00 H new ATOM 472 N GLY A 35 -11.468 0.596 -5.854 1.00 0.00 N ATOM 473 CA GLY A 35 -10.665 1.554 -6.595 1.00 0.00 C ATOM 474 C GLY A 35 -10.399 2.808 -5.759 1.00 0.00 C ATOM 475 O GLY A 35 -9.574 3.642 -6.130 1.00 0.00 O ATOM 0 H GLY A 35 -11.120 0.379 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.718 1.096 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.178 1.829 -7.516 1.00 0.00 H new ATOM 479 N GLN A 36 -11.112 2.902 -4.647 1.00 0.00 N ATOM 480 CA GLN A 36 -10.963 4.040 -3.756 1.00 0.00 C ATOM 481 C GLN A 36 -9.483 4.302 -3.472 1.00 0.00 C ATOM 482 O GLN A 36 -8.629 3.481 -3.804 1.00 0.00 O ATOM 483 CB GLN A 36 -11.741 3.824 -2.456 1.00 0.00 C ATOM 484 CG GLN A 36 -13.185 4.310 -2.594 1.00 0.00 C ATOM 485 CD GLN A 36 -13.998 3.369 -3.485 1.00 0.00 C ATOM 486 OE1 GLN A 36 -14.554 2.377 -3.042 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.035 3.733 -4.764 1.00 0.00 N ATOM 0 H GLN A 36 -11.795 2.208 -4.342 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.379 4.919 -4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.733 2.766 -2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.250 4.357 -1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.647 4.373 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.195 5.315 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.547 4.575 -5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.551 3.170 -5.440 1.00 0.00 H new ATOM 496 N ALA A 37 -9.224 5.449 -2.862 1.00 0.00 N ATOM 497 CA ALA A 37 -7.862 5.829 -2.530 1.00 0.00 C ATOM 498 C ALA A 37 -7.724 5.942 -1.010 1.00 0.00 C ATOM 499 O ALA A 37 -8.444 6.709 -0.373 1.00 0.00 O ATOM 500 CB ALA A 37 -7.507 7.134 -3.246 1.00 0.00 C ATOM 0 H ALA A 37 -9.935 6.128 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.158 5.069 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.485 7.419 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.592 6.993 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.191 7.921 -2.928 1.00 0.00 H new ATOM 506 N LEU A 38 -6.794 5.166 -0.473 1.00 0.00 N ATOM 507 CA LEU A 38 -6.553 5.169 0.960 1.00 0.00 C ATOM 508 C LEU A 38 -5.454 6.183 1.285 1.00 0.00 C ATOM 509 O LEU A 38 -4.270 5.893 1.127 1.00 0.00 O ATOM 510 CB LEU A 38 -6.249 3.753 1.455 1.00 0.00 C ATOM 511 CG LEU A 38 -6.563 3.476 2.927 1.00 0.00 C ATOM 512 CD1 LEU A 38 -7.940 4.023 3.306 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.431 1.985 3.244 1.00 0.00 C ATOM 0 H LEU A 38 -6.198 4.531 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.448 5.484 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.812 3.047 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.192 3.549 1.285 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.829 4.001 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.138 3.813 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.962 5.100 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.703 3.546 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.659 1.815 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.127 1.419 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.412 1.658 3.036 1.00 0.00 H new ATOM 525 N VAL A 39 -5.887 7.352 1.735 1.00 0.00 N ATOM 526 CA VAL A 39 -4.955 8.411 2.085 1.00 0.00 C ATOM 527 C VAL A 39 -4.208 8.025 3.363 1.00 0.00 C ATOM 528 O VAL A 39 -4.818 7.874 4.421 1.00 0.00 O ATOM 529 CB VAL A 39 -5.698 9.743 2.205 1.00 0.00 C ATOM 530 CG1 VAL A 39 -5.092 10.610 3.310 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.710 10.487 0.868 1.00 0.00 C ATOM 0 H VAL A 39 -6.870 7.589 1.865 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.210 8.540 1.300 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.731 9.527 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.638 11.551 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.160 10.085 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.046 10.813 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.244 11.430 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.686 10.686 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.209 9.876 0.116 1.00 0.00 H new ATOM 541 N LEU A 40 -2.899 7.878 3.224 1.00 0.00 N ATOM 542 CA LEU A 40 -2.062 7.513 4.354 1.00 0.00 C ATOM 543 C LEU A 40 -1.511 8.782 5.006 1.00 0.00 C ATOM 544 O LEU A 40 -1.698 9.882 4.487 1.00 0.00 O ATOM 545 CB LEU A 40 -0.979 6.523 3.921 1.00 0.00 C ATOM 546 CG LEU A 40 -0.990 5.166 4.627 1.00 0.00 C ATOM 547 CD1 LEU A 40 -2.253 4.376 4.277 1.00 0.00 C ATOM 548 CD2 LEU A 40 0.284 4.376 4.317 1.00 0.00 C ATOM 0 H LEU A 40 -2.397 8.005 2.345 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.650 6.995 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.078 6.353 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.006 6.986 4.082 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.007 5.341 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.236 3.415 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.133 4.939 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.292 4.210 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.251 3.415 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.357 4.210 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.153 4.939 4.657 1.00 0.00 H new ATOM 560 N GLY A 41 -0.843 8.588 6.133 1.00 0.00 N ATOM 561 CA GLY A 41 -0.263 9.704 6.861 1.00 0.00 C ATOM 562 C GLY A 41 -0.438 9.525 8.370 1.00 0.00 C ATOM 563 O GLY A 41 -0.709 8.421 8.841 1.00 0.00 O ATOM 0 H GLY A 41 -0.690 7.675 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.797 9.787 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.735 10.634 6.544 1.00 0.00 H new ATOM 567 N ARG A 42 -0.276 10.627 9.088 1.00 0.00 N ATOM 568 CA ARG A 42 -0.412 10.605 10.534 1.00 0.00 C ATOM 569 C ARG A 42 -1.762 10.003 10.931 1.00 0.00 C ATOM 570 O ARG A 42 -2.767 10.226 10.257 1.00 0.00 O ATOM 571 CB ARG A 42 -0.298 12.014 11.120 1.00 0.00 C ATOM 572 CG ARG A 42 1.023 12.189 11.871 1.00 0.00 C ATOM 573 CD ARG A 42 1.138 13.597 12.458 1.00 0.00 C ATOM 574 NE ARG A 42 1.110 14.602 11.372 1.00 0.00 N ATOM 575 CZ ARG A 42 0.922 15.915 11.567 1.00 0.00 C ATOM 576 NH1 ARG A 42 0.744 16.389 12.807 1.00 0.00 N ATOM 577 NH2 ARG A 42 0.912 16.753 10.521 1.00 0.00 N ATOM 0 H ARG A 42 -0.052 11.541 8.695 1.00 0.00 H new ATOM 0 HA ARG A 42 0.395 9.991 10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.366 12.751 10.320 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.132 12.199 11.796 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.091 11.451 12.670 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.857 12.004 11.194 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.318 13.778 13.153 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.064 13.689 13.026 1.00 0.00 H new ATOM 0 HE ARG A 42 1.242 14.275 10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.752 15.751 13.603 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.601 17.388 12.955 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.047 16.392 9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.769 17.752 10.669 1.00 0.00 H new ATOM 591 N GLY A 43 -1.742 9.253 12.023 1.00 0.00 N ATOM 592 CA GLY A 43 -2.952 8.618 12.517 1.00 0.00 C ATOM 593 C GLY A 43 -2.680 7.173 12.940 1.00 0.00 C ATOM 594 O GLY A 43 -1.547 6.701 12.856 1.00 0.00 O ATOM 0 H GLY A 43 -0.907 9.071 12.580 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.342 9.181 13.365 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.718 8.636 11.742 1.00 0.00 H new ATOM 598 N PRO A 44 -3.765 6.494 13.399 1.00 0.00 N ATOM 599 CA PRO A 44 -3.654 5.113 13.836 1.00 0.00 C ATOM 600 C PRO A 44 -3.525 4.168 12.640 1.00 0.00 C ATOM 601 O PRO A 44 -3.418 2.955 12.811 1.00 0.00 O ATOM 602 CB PRO A 44 -4.905 4.860 14.661 1.00 0.00 C ATOM 603 CG PRO A 44 -5.889 5.951 14.272 1.00 0.00 C ATOM 604 CD PRO A 44 -5.122 7.022 13.513 1.00 0.00 C ATOM 0 HA PRO A 44 -2.758 4.930 14.429 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.316 3.872 14.454 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.683 4.896 15.728 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.687 5.542 13.653 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.359 6.375 15.159 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.560 7.203 12.532 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.134 7.972 14.048 1.00 0.00 H new ATOM 612 N LEU A 45 -3.540 4.760 11.454 1.00 0.00 N ATOM 613 CA LEU A 45 -3.426 3.987 10.230 1.00 0.00 C ATOM 614 C LEU A 45 -2.099 3.226 10.234 1.00 0.00 C ATOM 615 O LEU A 45 -2.083 1.998 10.178 1.00 0.00 O ATOM 616 CB LEU A 45 -3.616 4.887 9.007 1.00 0.00 C ATOM 617 CG LEU A 45 -5.056 5.295 8.692 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.489 6.486 9.549 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.233 5.571 7.197 1.00 0.00 C ATOM 0 H LEU A 45 -3.629 5.767 11.316 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.220 3.243 10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.026 5.792 9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.206 4.375 8.137 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.710 4.461 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.517 6.755 9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.425 6.218 10.604 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.834 7.335 9.350 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.266 5.859 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.567 6.379 6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.993 4.672 6.630 1.00 0.00 H new ATOM 631 N THR A 46 -1.017 3.989 10.299 1.00 0.00 N ATOM 632 CA THR A 46 0.312 3.402 10.311 1.00 0.00 C ATOM 633 C THR A 46 1.004 3.674 11.648 1.00 0.00 C ATOM 634 O THR A 46 2.191 3.394 11.806 1.00 0.00 O ATOM 635 CB THR A 46 1.081 3.949 9.107 1.00 0.00 C ATOM 636 OG1 THR A 46 1.250 5.333 9.402 1.00 0.00 O ATOM 637 CG2 THR A 46 0.246 3.941 7.825 1.00 0.00 C ATOM 0 H THR A 46 -1.034 5.008 10.344 1.00 0.00 H new ATOM 0 HA THR A 46 0.265 2.317 10.220 1.00 0.00 H new ATOM 0 HB THR A 46 1.984 3.358 8.955 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.535 5.807 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.839 4.339 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.056 2.919 7.594 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.641 4.559 7.965 1.00 0.00 H new ATOM 645 N GLN A 47 0.231 4.217 12.578 1.00 0.00 N ATOM 646 CA GLN A 47 0.754 4.531 13.896 1.00 0.00 C ATOM 647 C GLN A 47 1.788 5.656 13.804 1.00 0.00 C ATOM 648 O GLN A 47 2.557 5.875 14.738 1.00 0.00 O ATOM 649 CB GLN A 47 1.354 3.288 14.558 1.00 0.00 C ATOM 650 CG GLN A 47 0.290 2.208 14.762 1.00 0.00 C ATOM 651 CD GLN A 47 0.156 1.844 16.242 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.107 1.881 17.006 1.00 0.00 O ATOM 653 NE2 GLN A 47 -1.074 1.490 16.603 1.00 0.00 N ATOM 0 H GLN A 47 -0.754 4.447 12.444 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.071 4.873 14.520 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.161 2.896 13.939 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.791 3.559 15.519 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.669 2.561 14.382 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.553 1.320 14.188 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.825 1.480 15.913 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.266 1.228 17.570 1.00 0.00 H new ATOM 662 N VAL A 48 1.772 6.339 12.669 1.00 0.00 N ATOM 663 CA VAL A 48 2.698 7.435 12.442 1.00 0.00 C ATOM 664 C VAL A 48 2.252 8.650 13.258 1.00 0.00 C ATOM 665 O VAL A 48 1.106 9.084 13.156 1.00 0.00 O ATOM 666 CB VAL A 48 2.806 7.728 10.944 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.593 9.015 10.692 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.432 6.547 10.199 1.00 0.00 C ATOM 0 H VAL A 48 1.132 6.154 11.896 1.00 0.00 H new ATOM 0 HA VAL A 48 3.699 7.166 12.779 1.00 0.00 H new ATOM 0 HB VAL A 48 1.797 7.872 10.557 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.655 9.200 9.620 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.088 9.851 11.176 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.598 8.913 11.101 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.497 6.781 9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.431 6.358 10.591 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.814 5.660 10.338 1.00 0.00 H new ATOM 678 N THR A 49 3.182 9.165 14.049 1.00 0.00 N ATOM 679 CA THR A 49 2.899 10.322 14.882 1.00 0.00 C ATOM 680 C THR A 49 3.948 11.412 14.654 1.00 0.00 C ATOM 681 O THR A 49 4.292 12.150 15.576 1.00 0.00 O ATOM 682 CB THR A 49 2.819 9.850 16.335 1.00 0.00 C ATOM 683 OG1 THR A 49 4.050 9.162 16.545 1.00 0.00 O ATOM 684 CG2 THR A 49 1.751 8.775 16.543 1.00 0.00 C ATOM 0 H THR A 49 4.132 8.803 14.131 1.00 0.00 H new ATOM 0 HA THR A 49 1.943 10.775 14.619 1.00 0.00 H new ATOM 0 HB THR A 49 2.608 10.701 16.982 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.083 8.824 17.464 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.736 8.475 17.591 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.775 9.173 16.265 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.980 7.910 15.921 1.00 0.00 H new ATOM 692 N ASP A 50 4.426 11.480 13.420 1.00 0.00 N ATOM 693 CA ASP A 50 5.429 12.468 13.059 1.00 0.00 C ATOM 694 C ASP A 50 4.742 13.672 12.412 1.00 0.00 C ATOM 695 O ASP A 50 3.906 13.511 11.523 1.00 0.00 O ATOM 696 CB ASP A 50 6.428 11.896 12.052 1.00 0.00 C ATOM 697 CG ASP A 50 7.793 12.587 12.032 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.161 13.148 13.087 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.439 12.538 10.963 1.00 0.00 O ATOM 0 H ASP A 50 4.137 10.867 12.658 1.00 0.00 H new ATOM 0 HA ASP A 50 5.958 12.759 13.966 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.576 10.838 12.270 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.992 11.958 11.055 1.00 0.00 H new ATOM 704 N ARG A 51 5.119 14.852 12.883 1.00 0.00 N ATOM 705 CA ARG A 51 4.549 16.083 12.361 1.00 0.00 C ATOM 706 C ARG A 51 4.897 16.242 10.880 1.00 0.00 C ATOM 707 O ARG A 51 4.127 16.822 10.116 1.00 0.00 O ATOM 708 CB ARG A 51 5.065 17.299 13.133 1.00 0.00 C ATOM 709 CG ARG A 51 4.551 17.292 14.574 1.00 0.00 C ATOM 710 CD ARG A 51 5.508 18.043 15.501 1.00 0.00 C ATOM 711 NE ARG A 51 4.907 19.332 15.912 1.00 0.00 N ATOM 712 CZ ARG A 51 4.973 20.457 15.187 1.00 0.00 C ATOM 713 NH1 ARG A 51 5.614 20.459 14.010 1.00 0.00 N ATOM 714 NH2 ARG A 51 4.398 21.580 15.639 1.00 0.00 N ATOM 0 H ARG A 51 5.812 14.982 13.620 1.00 0.00 H new ATOM 0 HA ARG A 51 3.467 16.024 12.479 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.155 17.299 13.132 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.746 18.214 12.634 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.564 17.753 14.614 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.437 16.264 14.918 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.726 17.437 16.380 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.456 18.220 14.993 1.00 0.00 H new ATOM 0 HE ARG A 51 4.412 19.366 16.803 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.052 19.604 13.666 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.664 21.315 13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.910 21.578 16.535 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.448 22.436 15.087 1.00 0.00 H new ATOM 728 N LYS A 52 6.059 15.718 10.518 1.00 0.00 N ATOM 729 CA LYS A 52 6.519 15.795 9.142 1.00 0.00 C ATOM 730 C LYS A 52 5.548 15.030 8.240 1.00 0.00 C ATOM 731 O LYS A 52 5.565 15.196 7.022 1.00 0.00 O ATOM 732 CB LYS A 52 7.968 15.315 9.033 1.00 0.00 C ATOM 733 CG LYS A 52 8.877 16.097 9.983 1.00 0.00 C ATOM 734 CD LYS A 52 10.140 16.575 9.264 1.00 0.00 C ATOM 735 CE LYS A 52 11.045 17.364 10.212 1.00 0.00 C ATOM 736 NZ LYS A 52 11.689 16.457 11.188 1.00 0.00 N ATOM 0 H LYS A 52 6.696 15.238 11.154 1.00 0.00 H new ATOM 0 HA LYS A 52 6.524 16.830 8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.021 14.252 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.318 15.435 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.337 16.954 10.386 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.152 15.467 10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.683 15.718 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.865 17.200 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.807 17.893 9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.460 18.119 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.400 16.984 11.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.969 16.075 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.151 15.674 10.682 1.00 0.00 H new ATOM 750 N CYS A 53 4.725 14.208 8.875 1.00 0.00 N ATOM 751 CA CYS A 53 3.749 13.416 8.146 1.00 0.00 C ATOM 752 C CYS A 53 2.450 14.219 8.056 1.00 0.00 C ATOM 753 O CYS A 53 2.023 14.828 9.036 1.00 0.00 O ATOM 754 CB CYS A 53 3.531 12.048 8.795 1.00 0.00 C ATOM 755 SG CYS A 53 4.139 10.725 7.687 1.00 0.00 S ATOM 0 H CYS A 53 4.714 14.073 9.886 1.00 0.00 H new ATOM 0 HA CYS A 53 4.120 13.212 7.141 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.054 12.002 9.750 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.471 11.900 9.004 1.00 0.00 H new ATOM 0 HG CYS A 53 4.017 11.105 6.450 1.00 0.00 H new ATOM 761 N SER A 54 1.857 14.195 6.871 1.00 0.00 N ATOM 762 CA SER A 54 0.615 14.913 6.641 1.00 0.00 C ATOM 763 C SER A 54 -0.544 13.923 6.505 1.00 0.00 C ATOM 764 O SER A 54 -0.428 12.918 5.806 1.00 0.00 O ATOM 765 CB SER A 54 0.711 15.793 5.393 1.00 0.00 C ATOM 766 OG SER A 54 0.082 17.057 5.582 1.00 0.00 O ATOM 0 H SER A 54 2.214 13.690 6.060 1.00 0.00 H new ATOM 0 HA SER A 54 0.431 15.562 7.497 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.759 15.945 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.247 15.280 4.551 1.00 0.00 H new ATOM 0 HG SER A 54 0.166 17.590 4.764 1.00 0.00 H new ATOM 772 N ARG A 55 -1.635 14.243 7.185 1.00 0.00 N ATOM 773 CA ARG A 55 -2.815 13.395 7.150 1.00 0.00 C ATOM 774 C ARG A 55 -3.021 12.832 5.742 1.00 0.00 C ATOM 775 O ARG A 55 -3.528 11.723 5.581 1.00 0.00 O ATOM 776 CB ARG A 55 -4.064 14.171 7.569 1.00 0.00 C ATOM 777 CG ARG A 55 -4.798 13.455 8.705 1.00 0.00 C ATOM 778 CD ARG A 55 -6.295 13.347 8.408 1.00 0.00 C ATOM 779 NE ARG A 55 -6.813 12.045 8.885 1.00 0.00 N ATOM 780 CZ ARG A 55 -6.853 11.678 10.173 1.00 0.00 C ATOM 781 NH1 ARG A 55 -6.407 12.513 11.121 1.00 0.00 N ATOM 782 NH2 ARG A 55 -7.340 10.477 10.513 1.00 0.00 N ATOM 0 H ARG A 55 -1.727 15.078 7.764 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.657 12.577 7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.783 15.175 7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.731 14.283 6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.378 12.459 8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.647 13.997 9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.831 14.162 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.470 13.447 7.337 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.162 11.386 8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.037 13.428 10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.437 12.234 12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.680 9.842 9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.370 10.198 11.494 1.00 0.00 H new ATOM 796 N ASN A 56 -2.617 13.622 4.758 1.00 0.00 N ATOM 797 CA ASN A 56 -2.751 13.216 3.369 1.00 0.00 C ATOM 798 C ASN A 56 -1.391 13.322 2.678 1.00 0.00 C ATOM 799 O ASN A 56 -1.255 14.012 1.668 1.00 0.00 O ATOM 800 CB ASN A 56 -3.732 14.123 2.623 1.00 0.00 C ATOM 801 CG ASN A 56 -3.651 15.561 3.139 1.00 0.00 C ATOM 802 OD1 ASN A 56 -2.676 15.977 3.743 1.00 0.00 O ATOM 803 ND2 ASN A 56 -4.726 16.295 2.868 1.00 0.00 N ATOM 0 H ASN A 56 -2.197 14.541 4.895 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.122 12.191 3.351 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.511 14.103 1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.747 13.745 2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.768 17.268 3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.508 15.885 2.358 1.00 0.00 H new ATOM 810 N GLN A 57 -0.417 12.628 3.249 1.00 0.00 N ATOM 811 CA GLN A 57 0.928 12.634 2.700 1.00 0.00 C ATOM 812 C GLN A 57 0.927 12.054 1.284 1.00 0.00 C ATOM 813 O GLN A 57 1.533 12.622 0.376 1.00 0.00 O ATOM 814 CB GLN A 57 1.894 11.868 3.606 1.00 0.00 C ATOM 815 CG GLN A 57 3.268 11.726 2.947 1.00 0.00 C ATOM 816 CD GLN A 57 3.866 13.097 2.626 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.393 14.129 3.072 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.929 13.050 1.829 1.00 0.00 N ATOM 0 H GLN A 57 -0.533 12.058 4.087 1.00 0.00 H new ATOM 0 HA GLN A 57 1.273 13.667 2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.995 12.389 4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.488 10.880 3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.938 11.179 3.610 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.178 11.141 2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.274 12.151 1.491 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.400 13.912 1.556 1.00 0.00 H new ATOM 827 N VAL A 58 0.240 10.931 1.140 1.00 0.00 N ATOM 828 CA VAL A 58 0.151 10.268 -0.150 1.00 0.00 C ATOM 829 C VAL A 58 -1.226 9.617 -0.291 1.00 0.00 C ATOM 830 O VAL A 58 -1.890 9.337 0.707 1.00 0.00 O ATOM 831 CB VAL A 58 1.302 9.272 -0.306 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.630 9.998 -0.528 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.385 8.336 0.902 1.00 0.00 C ATOM 0 H VAL A 58 -0.261 10.463 1.895 1.00 0.00 H new ATOM 0 HA VAL A 58 0.252 10.991 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 58 1.101 8.664 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.431 9.267 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.567 10.603 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.840 10.642 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.211 7.638 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.551 8.922 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.452 7.780 0.996 1.00 0.00 H new ATOM 843 N GLU A 59 -1.615 9.394 -1.537 1.00 0.00 N ATOM 844 CA GLU A 59 -2.902 8.781 -1.822 1.00 0.00 C ATOM 845 C GLU A 59 -2.705 7.400 -2.449 1.00 0.00 C ATOM 846 O GLU A 59 -2.443 7.290 -3.646 1.00 0.00 O ATOM 847 CB GLU A 59 -3.749 9.679 -2.726 1.00 0.00 C ATOM 848 CG GLU A 59 -4.918 8.900 -3.331 1.00 0.00 C ATOM 849 CD GLU A 59 -5.713 9.773 -4.305 1.00 0.00 C ATOM 850 OE1 GLU A 59 -5.182 10.020 -5.409 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.834 10.173 -3.922 1.00 0.00 O ATOM 0 H GLU A 59 -1.062 9.627 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.440 8.658 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.129 10.524 -2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.128 10.088 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.542 8.019 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.574 8.546 -2.536 1.00 0.00 H new ATOM 858 N LEU A 60 -2.837 6.381 -1.613 1.00 0.00 N ATOM 859 CA LEU A 60 -2.677 5.011 -2.071 1.00 0.00 C ATOM 860 C LEU A 60 -3.971 4.548 -2.743 1.00 0.00 C ATOM 861 O LEU A 60 -5.064 4.881 -2.288 1.00 0.00 O ATOM 862 CB LEU A 60 -2.225 4.111 -0.920 1.00 0.00 C ATOM 863 CG LEU A 60 -0.746 4.202 -0.538 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.545 5.138 0.656 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.159 2.812 -0.282 1.00 0.00 C ATOM 0 H LEU A 60 -3.053 6.476 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.889 4.949 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.822 4.352 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.449 3.077 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.202 4.631 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.515 5.185 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.902 6.136 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.104 4.761 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.893 2.905 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.701 2.332 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.250 2.207 -1.184 1.00 0.00 H new ATOM 877 N ILE A 61 -3.804 3.787 -3.815 1.00 0.00 N ATOM 878 CA ILE A 61 -4.945 3.275 -4.554 1.00 0.00 C ATOM 879 C ILE A 61 -4.666 1.832 -4.979 1.00 0.00 C ATOM 880 O ILE A 61 -3.748 1.577 -5.757 1.00 0.00 O ATOM 881 CB ILE A 61 -5.290 4.204 -5.720 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.783 5.561 -5.213 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.295 3.546 -6.667 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.801 6.594 -6.341 1.00 0.00 C ATOM 0 H ILE A 61 -2.896 3.513 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.831 3.255 -3.920 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.380 4.386 -6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.784 5.455 -4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.137 5.909 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.523 4.228 -7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.869 2.626 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.210 3.315 -6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.155 7.549 -5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.794 6.715 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.467 6.255 -7.134 1.00 0.00 H new ATOM 896 N ALA A 62 -5.475 0.926 -4.450 1.00 0.00 N ATOM 897 CA ALA A 62 -5.326 -0.485 -4.766 1.00 0.00 C ATOM 898 C ALA A 62 -5.847 -0.744 -6.181 1.00 0.00 C ATOM 899 O ALA A 62 -7.013 -0.485 -6.474 1.00 0.00 O ATOM 900 CB ALA A 62 -6.056 -1.323 -3.713 1.00 0.00 C ATOM 0 H ALA A 62 -6.235 1.141 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.276 -0.775 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.945 -2.381 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.630 -1.124 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.114 -1.061 -3.709 1.00 0.00 H new ATOM 906 N ASP A 63 -4.956 -1.253 -7.020 1.00 0.00 N ATOM 907 CA ASP A 63 -5.311 -1.550 -8.397 1.00 0.00 C ATOM 908 C ASP A 63 -5.058 -3.033 -8.676 1.00 0.00 C ATOM 909 O ASP A 63 -4.003 -3.401 -9.189 1.00 0.00 O ATOM 910 CB ASP A 63 -4.461 -0.734 -9.374 1.00 0.00 C ATOM 911 CG ASP A 63 -4.083 0.666 -8.887 1.00 0.00 C ATOM 912 OD1 ASP A 63 -4.944 1.292 -8.233 1.00 0.00 O ATOM 913 OD2 ASP A 63 -2.940 1.079 -9.180 1.00 0.00 O ATOM 0 H ASP A 63 -3.990 -1.467 -6.773 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.362 -1.298 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.547 -1.288 -9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.004 -0.641 -10.315 1.00 0.00 H new ATOM 918 N PRO A 64 -6.071 -3.866 -8.316 1.00 0.00 N ATOM 919 CA PRO A 64 -5.969 -5.301 -8.522 1.00 0.00 C ATOM 920 C PRO A 64 -6.154 -5.658 -9.998 1.00 0.00 C ATOM 921 O PRO A 64 -6.111 -6.830 -10.367 1.00 0.00 O ATOM 922 CB PRO A 64 -7.039 -5.904 -7.626 1.00 0.00 C ATOM 923 CG PRO A 64 -8.004 -4.772 -7.310 1.00 0.00 C ATOM 924 CD PRO A 64 -7.336 -3.466 -7.706 1.00 0.00 C ATOM 0 HA PRO A 64 -4.985 -5.694 -8.265 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.551 -6.725 -8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.601 -6.310 -6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.938 -4.904 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.252 -4.767 -6.249 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.952 -2.902 -8.406 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.173 -2.826 -6.839 1.00 0.00 H new ATOM 932 N GLU A 65 -6.356 -4.625 -10.803 1.00 0.00 N ATOM 933 CA GLU A 65 -6.547 -4.814 -12.230 1.00 0.00 C ATOM 934 C GLU A 65 -5.275 -5.379 -12.866 1.00 0.00 C ATOM 935 O GLU A 65 -5.341 -6.280 -13.701 1.00 0.00 O ATOM 936 CB GLU A 65 -6.964 -3.507 -12.906 1.00 0.00 C ATOM 937 CG GLU A 65 -8.410 -3.147 -12.559 1.00 0.00 C ATOM 938 CD GLU A 65 -8.747 -1.727 -13.019 1.00 0.00 C ATOM 939 OE1 GLU A 65 -8.576 -1.467 -14.230 1.00 0.00 O ATOM 940 OE2 GLU A 65 -9.168 -0.934 -12.150 1.00 0.00 O ATOM 0 H GLU A 65 -6.391 -3.654 -10.493 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.353 -5.533 -12.376 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.300 -2.702 -12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.859 -3.603 -13.987 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.089 -3.857 -13.032 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.561 -3.230 -11.483 1.00 0.00 H new ATOM 947 N SER A 66 -4.147 -4.826 -12.447 1.00 0.00 N ATOM 948 CA SER A 66 -2.861 -5.263 -12.965 1.00 0.00 C ATOM 949 C SER A 66 -1.878 -5.475 -11.812 1.00 0.00 C ATOM 950 O SER A 66 -0.669 -5.547 -12.029 1.00 0.00 O ATOM 951 CB SER A 66 -2.297 -4.251 -13.964 1.00 0.00 C ATOM 952 OG SER A 66 -2.483 -4.673 -15.313 1.00 0.00 O ATOM 0 H SER A 66 -4.096 -4.079 -11.754 1.00 0.00 H new ATOM 0 HA SER A 66 -3.006 -6.208 -13.489 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.782 -3.286 -13.816 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.234 -4.106 -13.773 1.00 0.00 H new ATOM 0 HG SER A 66 -2.111 -4.000 -15.921 1.00 0.00 H new ATOM 958 N ARG A 67 -2.432 -5.570 -10.613 1.00 0.00 N ATOM 959 CA ARG A 67 -1.619 -5.772 -9.426 1.00 0.00 C ATOM 960 C ARG A 67 -0.636 -4.613 -9.252 1.00 0.00 C ATOM 961 O ARG A 67 0.571 -4.788 -9.411 1.00 0.00 O ATOM 962 CB ARG A 67 -0.838 -7.085 -9.511 1.00 0.00 C ATOM 963 CG ARG A 67 -1.780 -8.270 -9.732 1.00 0.00 C ATOM 964 CD ARG A 67 -2.614 -8.548 -8.480 1.00 0.00 C ATOM 965 NE ARG A 67 -2.634 -10.001 -8.197 1.00 0.00 N ATOM 966 CZ ARG A 67 -3.419 -10.880 -8.834 1.00 0.00 C ATOM 967 NH1 ARG A 67 -4.253 -10.459 -9.795 1.00 0.00 N ATOM 968 NH2 ARG A 67 -3.370 -12.179 -8.511 1.00 0.00 N ATOM 0 H ARG A 67 -3.435 -5.511 -10.438 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.290 -5.816 -8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.118 -7.031 -10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.269 -7.234 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.440 -8.062 -10.574 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.201 -9.156 -9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.198 -8.009 -7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.631 -8.183 -8.622 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.011 -10.355 -7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.290 -9.470 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.851 -11.128 -10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.735 -12.499 -7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.968 -12.848 -8.996 1.00 0.00 H new ATOM 982 N THR A 68 -1.190 -3.454 -8.927 1.00 0.00 N ATOM 983 CA THR A 68 -0.377 -2.266 -8.729 1.00 0.00 C ATOM 984 C THR A 68 -1.020 -1.346 -7.689 1.00 0.00 C ATOM 985 O THR A 68 -2.126 -1.612 -7.220 1.00 0.00 O ATOM 986 CB THR A 68 -0.178 -1.597 -10.091 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.463 -1.669 -10.704 1.00 0.00 O ATOM 988 CG2 THR A 68 0.724 -2.413 -11.018 1.00 0.00 C ATOM 0 H THR A 68 -2.192 -3.312 -8.796 1.00 0.00 H new ATOM 0 HA THR A 68 0.604 -2.521 -8.329 1.00 0.00 H new ATOM 0 HB THR A 68 0.251 -0.605 -9.949 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.425 -1.256 -11.592 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.832 -1.894 -11.970 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.704 -2.534 -10.558 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.279 -3.394 -11.188 1.00 0.00 H new ATOM 996 N VAL A 69 -0.300 -0.285 -7.358 1.00 0.00 N ATOM 997 CA VAL A 69 -0.787 0.675 -6.382 1.00 0.00 C ATOM 998 C VAL A 69 -0.288 2.073 -6.754 1.00 0.00 C ATOM 999 O VAL A 69 0.912 2.282 -6.927 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.369 0.247 -4.974 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -0.843 1.260 -3.929 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -0.887 -1.156 -4.651 1.00 0.00 C ATOM 0 H VAL A 69 0.617 -0.069 -7.748 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.877 0.706 -6.389 1.00 0.00 H new ATOM 0 HB VAL A 69 0.720 0.218 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.533 0.932 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.405 2.235 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.930 1.336 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.576 -1.436 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.975 -1.165 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.479 -1.868 -5.368 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.234 2.994 -6.867 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.905 4.365 -7.216 1.00 0.00 C ATOM 1014 C ALA A 70 -0.596 5.151 -5.941 1.00 0.00 C ATOM 1015 O ALA A 70 -1.189 4.900 -4.893 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.057 4.979 -8.014 1.00 0.00 C ATOM 0 H ALA A 70 -2.228 2.817 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.017 4.398 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.810 6.008 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.218 4.401 -8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.965 4.966 -7.411 1.00 0.00 H new ATOM 1022 N VAL A 71 0.333 6.087 -6.071 1.00 0.00 N ATOM 1023 CA VAL A 71 0.728 6.912 -4.942 1.00 0.00 C ATOM 1024 C VAL A 71 0.872 8.364 -5.402 1.00 0.00 C ATOM 1025 O VAL A 71 1.776 8.689 -6.170 1.00 0.00 O ATOM 1026 CB VAL A 71 2.006 6.355 -4.310 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.458 7.223 -3.134 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.815 4.900 -3.877 1.00 0.00 C ATOM 0 H VAL A 71 0.824 6.292 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.038 6.892 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 71 2.792 6.378 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.368 6.806 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.654 8.236 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.675 7.246 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.738 4.529 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.009 4.841 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.562 4.292 -4.746 1.00 0.00 H new ATOM 1038 N LYS A 72 -0.033 9.199 -4.912 1.00 0.00 N ATOM 1039 CA LYS A 72 -0.018 10.608 -5.263 1.00 0.00 C ATOM 1040 C LYS A 72 0.335 11.434 -4.025 1.00 0.00 C ATOM 1041 O LYS A 72 -0.367 11.378 -3.016 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.342 11.012 -5.915 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.200 12.337 -6.668 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.559 13.022 -6.832 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.406 12.313 -7.890 1.00 0.00 C ATOM 1046 NZ LYS A 72 -2.955 12.684 -9.250 1.00 0.00 N ATOM 0 H LYS A 72 -0.781 8.926 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 72 0.752 10.806 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.666 10.231 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.114 11.104 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.520 12.995 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.759 12.157 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.087 13.023 -5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.413 14.064 -7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.334 11.233 -7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.455 12.580 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.612 12.290 -9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.934 13.720 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.002 12.303 -9.416 1.00 0.00 H new ATOM 1060 N GLN A 73 1.423 12.182 -4.141 1.00 0.00 N ATOM 1061 CA GLN A 73 1.877 13.018 -3.043 1.00 0.00 C ATOM 1062 C GLN A 73 0.949 14.223 -2.874 1.00 0.00 C ATOM 1063 O GLN A 73 0.834 15.054 -3.774 1.00 0.00 O ATOM 1064 CB GLN A 73 3.324 13.467 -3.258 1.00 0.00 C ATOM 1065 CG GLN A 73 3.734 14.512 -2.218 1.00 0.00 C ATOM 1066 CD GLN A 73 5.255 14.561 -2.061 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.934 13.548 -2.027 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.750 15.792 -1.967 1.00 0.00 N ATOM 0 H GLN A 73 2.003 12.226 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 73 1.846 12.429 -2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.989 12.606 -3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.435 13.883 -4.260 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.364 15.493 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.273 14.276 -1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.125 16.597 -2.003 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.755 15.931 -1.859 1.00 0.00 H new ATOM 1077 N LEU A 74 0.310 14.279 -1.715 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.605 15.369 -1.417 1.00 0.00 C ATOM 1079 C LEU A 74 -0.106 16.125 -0.184 1.00 0.00 C ATOM 1080 O LEU A 74 -0.801 16.994 0.339 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.036 14.844 -1.280 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.403 13.655 -2.170 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -2.992 12.512 -1.341 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.339 14.085 -3.301 1.00 0.00 C ATOM 0 H LEU A 74 0.407 13.588 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.629 16.083 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.199 14.558 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.724 15.661 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.490 13.280 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.244 11.679 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.260 12.183 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.891 12.858 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.584 13.221 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.254 14.500 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.847 14.841 -3.913 1.00 0.00 H new ATOM 1096 N GLY A 75 1.095 15.765 0.245 1.00 0.00 N ATOM 1097 CA GLY A 75 1.695 16.399 1.407 1.00 0.00 C ATOM 1098 C GLY A 75 2.728 17.447 0.987 1.00 0.00 C ATOM 1099 O GLY A 75 2.567 18.108 -0.038 1.00 0.00 O ATOM 0 H GLY A 75 1.668 15.043 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.919 16.870 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.171 15.644 2.033 1.00 0.00 H new ATOM 1103 N VAL A 76 3.767 17.567 1.801 1.00 0.00 N ATOM 1104 CA VAL A 76 4.826 18.523 1.527 1.00 0.00 C ATOM 1105 C VAL A 76 6.154 17.778 1.381 1.00 0.00 C ATOM 1106 O VAL A 76 6.871 17.966 0.399 1.00 0.00 O ATOM 1107 CB VAL A 76 4.859 19.594 2.619 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.556 18.988 3.991 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.201 20.328 2.627 1.00 0.00 C ATOM 0 H VAL A 76 3.898 17.018 2.650 1.00 0.00 H new ATOM 0 HA VAL A 76 4.639 19.042 0.587 1.00 0.00 H new ATOM 0 HB VAL A 76 4.080 20.324 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.586 19.771 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.565 18.534 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.301 18.227 4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.198 21.084 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.004 19.615 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.358 20.809 1.662 1.00 0.00 H new ATOM 1119 N ASN A 77 6.443 16.948 2.372 1.00 0.00 N ATOM 1120 CA ASN A 77 7.673 16.174 2.366 1.00 0.00 C ATOM 1121 C ASN A 77 7.660 15.213 1.176 1.00 0.00 C ATOM 1122 O ASN A 77 6.621 14.645 0.843 1.00 0.00 O ATOM 1123 CB ASN A 77 7.807 15.342 3.643 1.00 0.00 C ATOM 1124 CG ASN A 77 8.283 16.206 4.813 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.457 16.501 4.963 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.308 16.593 5.631 1.00 0.00 N ATOM 0 H ASN A 77 5.846 16.794 3.185 1.00 0.00 H new ATOM 0 HA ASN A 77 8.509 16.871 2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.847 14.889 3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.512 14.527 3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.523 17.173 6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.345 16.310 5.447 1.00 0.00 H new ATOM 1133 N PRO A 78 8.857 15.057 0.550 1.00 0.00 N ATOM 1134 CA PRO A 78 8.993 14.175 -0.597 1.00 0.00 C ATOM 1135 C PRO A 78 8.989 12.708 -0.163 1.00 0.00 C ATOM 1136 O PRO A 78 9.767 12.310 0.703 1.00 0.00 O ATOM 1137 CB PRO A 78 10.293 14.594 -1.263 1.00 0.00 C ATOM 1138 CG PRO A 78 11.068 15.374 -0.213 1.00 0.00 C ATOM 1139 CD PRO A 78 10.109 15.713 0.916 1.00 0.00 C ATOM 0 HA PRO A 78 8.159 14.259 -1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.858 13.724 -1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.101 15.208 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.905 14.784 0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.487 16.283 -0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.481 15.349 1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.977 16.791 1.013 1.00 0.00 H new ATOM 1147 N SER A 79 8.104 11.943 -0.785 1.00 0.00 N ATOM 1148 CA SER A 79 7.988 10.528 -0.474 1.00 0.00 C ATOM 1149 C SER A 79 8.772 9.702 -1.495 1.00 0.00 C ATOM 1150 O SER A 79 9.056 10.175 -2.595 1.00 0.00 O ATOM 1151 CB SER A 79 6.523 10.088 -0.449 1.00 0.00 C ATOM 1152 OG SER A 79 5.873 10.465 0.762 1.00 0.00 O ATOM 0 H SER A 79 7.460 12.276 -1.503 1.00 0.00 H new ATOM 0 HA SER A 79 8.407 10.361 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.997 10.530 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.467 9.006 -0.569 1.00 0.00 H new ATOM 0 HG SER A 79 6.157 9.868 1.485 1.00 0.00 H new ATOM 1158 N THR A 80 9.101 8.482 -1.095 1.00 0.00 N ATOM 1159 CA THR A 80 9.847 7.586 -1.962 1.00 0.00 C ATOM 1160 C THR A 80 9.032 6.324 -2.253 1.00 0.00 C ATOM 1161 O THR A 80 8.855 5.480 -1.377 1.00 0.00 O ATOM 1162 CB THR A 80 11.195 7.299 -1.297 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.807 8.581 -1.186 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.141 6.513 -2.207 1.00 0.00 C ATOM 0 H THR A 80 8.864 8.093 -0.182 1.00 0.00 H new ATOM 0 HA THR A 80 10.038 8.043 -2.933 1.00 0.00 H new ATOM 0 HB THR A 80 11.033 6.743 -0.374 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.686 8.488 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.083 6.336 -1.687 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.685 5.558 -2.467 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.330 7.084 -3.116 1.00 0.00 H new ATOM 1172 N VAL A 81 8.558 6.236 -3.487 1.00 0.00 N ATOM 1173 CA VAL A 81 7.767 5.092 -3.905 1.00 0.00 C ATOM 1174 C VAL A 81 8.699 3.986 -4.404 1.00 0.00 C ATOM 1175 O VAL A 81 8.788 3.740 -5.606 1.00 0.00 O ATOM 1176 CB VAL A 81 6.736 5.522 -4.951 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.245 4.321 -5.762 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.565 6.258 -4.297 1.00 0.00 C ATOM 0 H VAL A 81 8.707 6.939 -4.211 1.00 0.00 H new ATOM 0 HA VAL A 81 7.206 4.688 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 81 7.224 6.214 -5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.513 4.654 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.089 3.857 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.783 3.595 -5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.847 6.552 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.078 5.600 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.934 7.147 -3.785 1.00 0.00 H new ATOM 1188 N GLY A 82 9.371 3.350 -3.455 1.00 0.00 N ATOM 1189 CA GLY A 82 10.294 2.277 -3.784 1.00 0.00 C ATOM 1190 C GLY A 82 11.745 2.745 -3.660 1.00 0.00 C ATOM 1191 O GLY A 82 12.315 2.733 -2.570 1.00 0.00 O ATOM 0 H GLY A 82 9.295 3.557 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.123 1.429 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.106 1.929 -4.800 1.00 0.00 H new ATOM 1195 N VAL A 83 12.303 3.146 -4.793 1.00 0.00 N ATOM 1196 CA VAL A 83 13.677 3.617 -4.826 1.00 0.00 C ATOM 1197 C VAL A 83 13.744 4.929 -5.610 1.00 0.00 C ATOM 1198 O VAL A 83 14.820 5.352 -6.029 1.00 0.00 O ATOM 1199 CB VAL A 83 14.589 2.530 -5.399 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.313 2.313 -6.888 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.062 2.867 -5.158 1.00 0.00 C ATOM 0 H VAL A 83 11.828 3.154 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 83 14.034 3.824 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 83 14.369 1.598 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 83 14.974 1.536 -7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.276 2.007 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.492 3.241 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 83 16.689 2.079 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.302 3.814 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.246 2.948 -4.087 1.00 0.00 H new ATOM 1211 N GLN A 84 12.579 5.536 -5.786 1.00 0.00 N ATOM 1212 CA GLN A 84 12.492 6.791 -6.512 1.00 0.00 C ATOM 1213 C GLN A 84 11.799 7.853 -5.656 1.00 0.00 C ATOM 1214 O GLN A 84 10.720 7.614 -5.117 1.00 0.00 O ATOM 1215 CB GLN A 84 11.765 6.603 -7.846 1.00 0.00 C ATOM 1216 CG GLN A 84 11.382 7.953 -8.456 1.00 0.00 C ATOM 1217 CD GLN A 84 11.170 7.831 -9.967 1.00 0.00 C ATOM 1218 OE1 GLN A 84 11.336 6.777 -10.560 1.00 0.00 O ATOM 1219 NE2 GLN A 84 10.797 8.964 -10.554 1.00 0.00 N ATOM 0 H GLN A 84 11.688 5.182 -5.438 1.00 0.00 H new ATOM 0 HA GLN A 84 13.504 7.132 -6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.404 6.055 -8.539 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.869 6.001 -7.694 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.471 8.323 -7.986 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.165 8.683 -8.253 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.676 9.811 -9.998 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.632 8.987 -11.560 1.00 0.00 H new ATOM 1228 N GLU A 85 12.449 9.004 -5.557 1.00 0.00 N ATOM 1229 CA GLU A 85 11.909 10.103 -4.775 1.00 0.00 C ATOM 1230 C GLU A 85 10.763 10.779 -5.530 1.00 0.00 C ATOM 1231 O GLU A 85 10.832 10.951 -6.746 1.00 0.00 O ATOM 1232 CB GLU A 85 13.003 11.113 -4.421 1.00 0.00 C ATOM 1233 CG GLU A 85 12.998 11.424 -2.923 1.00 0.00 C ATOM 1234 CD GLU A 85 14.381 11.192 -2.311 1.00 0.00 C ATOM 1235 OE1 GLU A 85 15.019 10.193 -2.710 1.00 0.00 O ATOM 1236 OE2 GLU A 85 14.770 12.018 -1.457 1.00 0.00 O ATOM 0 H GLU A 85 13.344 9.199 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 85 11.516 9.700 -3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.976 10.717 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.852 12.032 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.695 12.459 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.263 10.795 -2.420 1.00 0.00 H new ATOM 1243 N LEU A 86 9.735 11.143 -4.778 1.00 0.00 N ATOM 1244 CA LEU A 86 8.575 11.796 -5.360 1.00 0.00 C ATOM 1245 C LEU A 86 8.650 13.299 -5.087 1.00 0.00 C ATOM 1246 O LEU A 86 9.649 13.789 -4.562 1.00 0.00 O ATOM 1247 CB LEU A 86 7.285 11.143 -4.860 1.00 0.00 C ATOM 1248 CG LEU A 86 6.867 9.853 -5.568 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.431 9.469 -5.206 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.066 9.969 -7.080 1.00 0.00 C ATOM 0 H LEU A 86 9.681 10.998 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 86 8.570 11.669 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.398 10.930 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.475 11.866 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 86 7.513 9.047 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.159 8.549 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.356 9.317 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.754 10.268 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.761 9.039 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.461 10.790 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.117 10.161 -7.295 1.00 0.00 H new ATOM 1262 N LYS A 87 7.581 13.989 -5.455 1.00 0.00 N ATOM 1263 CA LYS A 87 7.513 15.427 -5.255 1.00 0.00 C ATOM 1264 C LYS A 87 6.082 15.819 -4.881 1.00 0.00 C ATOM 1265 O LYS A 87 5.182 14.981 -4.892 1.00 0.00 O ATOM 1266 CB LYS A 87 8.051 16.164 -6.484 1.00 0.00 C ATOM 1267 CG LYS A 87 9.397 16.825 -6.180 1.00 0.00 C ATOM 1268 CD LYS A 87 10.101 17.252 -7.470 1.00 0.00 C ATOM 1269 CE LYS A 87 9.824 18.723 -7.785 1.00 0.00 C ATOM 1270 NZ LYS A 87 11.058 19.527 -7.638 1.00 0.00 N ATOM 0 H LYS A 87 6.755 13.579 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 87 8.153 15.727 -4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.164 15.464 -7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.334 16.921 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.243 17.694 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.031 16.131 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.175 17.093 -7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.761 16.629 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.441 18.817 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.052 19.105 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.852 20.523 -7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.407 19.451 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.783 19.173 -8.294 1.00 0.00 H new ATOM 1284 N PRO A 88 5.913 17.127 -4.549 1.00 0.00 N ATOM 1285 CA PRO A 88 4.607 17.640 -4.172 1.00 0.00 C ATOM 1286 C PRO A 88 3.704 17.798 -5.398 1.00 0.00 C ATOM 1287 O PRO A 88 3.917 18.688 -6.219 1.00 0.00 O ATOM 1288 CB PRO A 88 4.890 18.958 -3.470 1.00 0.00 C ATOM 1289 CG PRO A 88 6.295 19.359 -3.887 1.00 0.00 C ATOM 1290 CD PRO A 88 6.956 18.148 -4.525 1.00 0.00 C ATOM 0 HA PRO A 88 4.063 16.962 -3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.165 19.718 -3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.820 18.847 -2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.261 20.191 -4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.868 19.696 -3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.312 18.375 -5.530 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.820 17.818 -3.948 1.00 0.00 H new ATOM 1298 N GLY A 89 2.716 16.919 -5.482 1.00 0.00 N ATOM 1299 CA GLY A 89 1.781 16.949 -6.594 1.00 0.00 C ATOM 1300 C GLY A 89 2.137 15.890 -7.639 1.00 0.00 C ATOM 1301 O GLY A 89 1.470 15.778 -8.666 1.00 0.00 O ATOM 0 H GLY A 89 2.543 16.182 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.769 16.777 -6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.790 17.937 -7.055 1.00 0.00 H new ATOM 1305 N LEU A 90 3.188 15.141 -7.341 1.00 0.00 N ATOM 1306 CA LEU A 90 3.641 14.095 -8.242 1.00 0.00 C ATOM 1307 C LEU A 90 2.911 12.792 -7.912 1.00 0.00 C ATOM 1308 O LEU A 90 2.043 12.766 -7.041 1.00 0.00 O ATOM 1309 CB LEU A 90 5.166 13.973 -8.199 1.00 0.00 C ATOM 1310 CG LEU A 90 5.854 13.686 -9.535 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.261 14.545 -10.653 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.370 13.861 -9.420 1.00 0.00 C ATOM 0 H LEU A 90 3.739 15.238 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 90 3.394 14.348 -9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.573 14.900 -7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.427 13.178 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 90 5.669 12.644 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.768 14.321 -11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.198 14.327 -10.754 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.394 15.599 -10.411 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.835 13.651 -10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.597 14.885 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.760 13.172 -8.671 1.00 0.00 H new ATOM 1324 N SER A 91 3.288 11.742 -8.627 1.00 0.00 N ATOM 1325 CA SER A 91 2.680 10.438 -8.421 1.00 0.00 C ATOM 1326 C SER A 91 3.631 9.337 -8.891 1.00 0.00 C ATOM 1327 O SER A 91 4.660 9.619 -9.504 1.00 0.00 O ATOM 1328 CB SER A 91 1.342 10.333 -9.155 1.00 0.00 C ATOM 1329 OG SER A 91 0.815 9.009 -9.118 1.00 0.00 O ATOM 0 H SER A 91 4.007 11.768 -9.350 1.00 0.00 H new ATOM 0 HA SER A 91 2.490 10.314 -7.355 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.626 11.021 -8.704 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.472 10.643 -10.192 1.00 0.00 H new ATOM 0 HG SER A 91 -0.040 8.984 -9.596 1.00 0.00 H new ATOM 1335 N GLY A 92 3.254 8.103 -8.586 1.00 0.00 N ATOM 1336 CA GLY A 92 4.061 6.958 -8.970 1.00 0.00 C ATOM 1337 C GLY A 92 3.233 5.672 -8.949 1.00 0.00 C ATOM 1338 O GLY A 92 2.007 5.720 -8.856 1.00 0.00 O ATOM 0 H GLY A 92 2.400 7.872 -8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.470 7.115 -9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.908 6.861 -8.290 1.00 0.00 H new ATOM 1342 N SER A 93 3.935 4.552 -9.036 1.00 0.00 N ATOM 1343 CA SER A 93 3.280 3.255 -9.028 1.00 0.00 C ATOM 1344 C SER A 93 4.074 2.273 -8.164 1.00 0.00 C ATOM 1345 O SER A 93 5.286 2.137 -8.327 1.00 0.00 O ATOM 1346 CB SER A 93 3.124 2.707 -10.448 1.00 0.00 C ATOM 1347 OG SER A 93 4.384 2.479 -11.073 1.00 0.00 O ATOM 0 H SER A 93 4.951 4.516 -9.112 1.00 0.00 H new ATOM 0 HA SER A 93 2.283 3.378 -8.604 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.561 1.774 -10.417 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.544 3.410 -11.046 1.00 0.00 H new ATOM 0 HG SER A 93 5.082 2.412 -10.388 1.00 0.00 H new ATOM 1353 N LEU A 94 3.359 1.613 -7.265 1.00 0.00 N ATOM 1354 CA LEU A 94 3.982 0.647 -6.376 1.00 0.00 C ATOM 1355 C LEU A 94 3.646 -0.768 -6.851 1.00 0.00 C ATOM 1356 O LEU A 94 2.480 -1.090 -7.077 1.00 0.00 O ATOM 1357 CB LEU A 94 3.582 0.920 -4.924 1.00 0.00 C ATOM 1358 CG LEU A 94 4.690 1.450 -4.012 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.442 2.914 -3.643 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.850 0.566 -2.774 1.00 0.00 C ATOM 0 H LEU A 94 2.354 1.728 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 94 5.067 0.745 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.763 1.639 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.196 -0.004 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 94 5.632 1.411 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.244 3.267 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.417 3.518 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.489 3.001 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.644 0.965 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.915 0.550 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.106 -0.448 -3.082 1.00 0.00 H new ATOM 1372 N SER A 95 4.688 -1.575 -6.988 1.00 0.00 N ATOM 1373 CA SER A 95 4.518 -2.948 -7.432 1.00 0.00 C ATOM 1374 C SER A 95 4.518 -3.891 -6.227 1.00 0.00 C ATOM 1375 O SER A 95 4.911 -3.501 -5.129 1.00 0.00 O ATOM 1376 CB SER A 95 5.616 -3.348 -8.419 1.00 0.00 C ATOM 1377 OG SER A 95 5.602 -2.536 -9.590 1.00 0.00 O ATOM 0 H SER A 95 5.653 -1.304 -6.799 1.00 0.00 H new ATOM 0 HA SER A 95 3.560 -3.025 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.588 -3.266 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.487 -4.393 -8.701 1.00 0.00 H new ATOM 0 HG SER A 95 6.319 -2.821 -10.195 1.00 0.00 H new ATOM 1383 N LEU A 96 4.072 -5.114 -6.474 1.00 0.00 N ATOM 1384 CA LEU A 96 4.016 -6.116 -5.423 1.00 0.00 C ATOM 1385 C LEU A 96 5.421 -6.337 -4.859 1.00 0.00 C ATOM 1386 O LEU A 96 6.257 -6.974 -5.498 1.00 0.00 O ATOM 1387 CB LEU A 96 3.351 -7.395 -5.937 1.00 0.00 C ATOM 1388 CG LEU A 96 1.895 -7.608 -5.520 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.273 -8.780 -6.282 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.778 -7.783 -4.005 1.00 0.00 C ATOM 0 H LEU A 96 3.746 -5.434 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 96 3.393 -5.769 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.400 -7.394 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.935 -8.248 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 96 1.330 -6.715 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.238 -8.910 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.304 -8.576 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.834 -9.690 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.732 -7.933 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.361 -8.650 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.157 -6.892 -3.505 1.00 0.00 H new ATOM 1402 N GLY A 97 5.637 -5.798 -3.668 1.00 0.00 N ATOM 1403 CA GLY A 97 6.927 -5.929 -3.011 1.00 0.00 C ATOM 1404 C GLY A 97 7.593 -4.563 -2.836 1.00 0.00 C ATOM 1405 O GLY A 97 8.376 -4.364 -1.908 1.00 0.00 O ATOM 0 H GLY A 97 4.941 -5.270 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.797 -6.402 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.574 -6.581 -3.598 1.00 0.00 H new ATOM 1409 N ASP A 98 7.258 -3.656 -3.742 1.00 0.00 N ATOM 1410 CA ASP A 98 7.815 -2.314 -3.698 1.00 0.00 C ATOM 1411 C ASP A 98 7.490 -1.675 -2.347 1.00 0.00 C ATOM 1412 O ASP A 98 6.451 -1.963 -1.754 1.00 0.00 O ATOM 1413 CB ASP A 98 7.213 -1.433 -4.795 1.00 0.00 C ATOM 1414 CG ASP A 98 7.874 -1.566 -6.168 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.435 -2.653 -6.424 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.802 -0.579 -6.931 1.00 0.00 O ATOM 0 H ASP A 98 6.608 -3.824 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 98 8.892 -2.391 -3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.155 -1.674 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.275 -0.392 -4.478 1.00 0.00 H new ATOM 1421 N VAL A 99 8.398 -0.821 -1.899 1.00 0.00 N ATOM 1422 CA VAL A 99 8.221 -0.139 -0.628 1.00 0.00 C ATOM 1423 C VAL A 99 7.684 1.271 -0.881 1.00 0.00 C ATOM 1424 O VAL A 99 7.796 1.792 -1.989 1.00 0.00 O ATOM 1425 CB VAL A 99 9.534 -0.146 0.157 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.367 0.544 1.512 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.062 -1.572 0.330 1.00 0.00 C ATOM 0 H VAL A 99 9.259 -0.586 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 99 7.487 -0.661 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 99 10.270 0.417 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.315 0.525 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.058 1.578 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.609 0.022 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.996 -1.549 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.328 -2.169 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.238 -2.016 -0.650 1.00 0.00 H new ATOM 1437 N LEU A 100 7.112 1.849 0.165 1.00 0.00 N ATOM 1438 CA LEU A 100 6.557 3.188 0.070 1.00 0.00 C ATOM 1439 C LEU A 100 6.867 3.956 1.357 1.00 0.00 C ATOM 1440 O LEU A 100 6.040 4.009 2.267 1.00 0.00 O ATOM 1441 CB LEU A 100 5.066 3.128 -0.266 1.00 0.00 C ATOM 1442 CG LEU A 100 4.297 4.445 -0.143 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.981 5.556 -0.941 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.833 4.265 -0.549 1.00 0.00 C ATOM 0 H LEU A 100 7.021 1.414 1.083 1.00 0.00 H new ATOM 0 HA LEU A 100 7.022 3.736 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.958 2.761 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.596 2.393 0.388 1.00 0.00 H new ATOM 0 HG LEU A 100 4.306 4.749 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.414 6.481 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.992 5.706 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.025 5.274 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.309 5.216 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.781 3.926 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.364 3.525 0.099 1.00 0.00 H new ATOM 1456 N TYR A 101 8.059 4.533 1.392 1.00 0.00 N ATOM 1457 CA TYR A 101 8.488 5.295 2.552 1.00 0.00 C ATOM 1458 C TYR A 101 7.551 6.477 2.809 1.00 0.00 C ATOM 1459 O TYR A 101 7.660 7.513 2.155 1.00 0.00 O ATOM 1460 CB TYR A 101 9.882 5.829 2.215 1.00 0.00 C ATOM 1461 CG TYR A 101 10.938 4.737 2.032 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.515 4.144 3.136 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.315 4.347 0.763 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.510 3.117 2.965 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.309 3.320 0.591 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.858 2.755 1.700 1.00 0.00 C ATOM 1467 OH TYR A 101 13.797 1.785 1.538 1.00 0.00 O ATOM 0 H TYR A 101 8.741 4.488 0.635 1.00 0.00 H new ATOM 0 HA TYR A 101 8.485 4.669 3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.823 6.420 1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.204 6.502 3.009 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.220 4.450 4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.864 4.812 -0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 101 12.969 2.645 3.821 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.612 3.005 -0.397 1.00 0.00 H new ATOM 0 HH TYR A 101 13.945 1.629 0.582 1.00 0.00 H new ATOM 1477 N LEU A 102 6.651 6.282 3.761 1.00 0.00 N ATOM 1478 CA LEU A 102 5.695 7.319 4.112 1.00 0.00 C ATOM 1479 C LEU A 102 6.381 8.684 4.038 1.00 0.00 C ATOM 1480 O LEU A 102 5.946 9.562 3.294 1.00 0.00 O ATOM 1481 CB LEU A 102 5.059 7.023 5.472 1.00 0.00 C ATOM 1482 CG LEU A 102 3.530 6.994 5.504 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.019 5.688 6.118 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.973 8.222 6.226 1.00 0.00 C ATOM 0 H LEU A 102 6.563 5.421 4.301 1.00 0.00 H new ATOM 0 HA LEU A 102 4.872 7.336 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.428 6.059 5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.404 7.774 6.183 1.00 0.00 H new ATOM 0 HG LEU A 102 3.166 7.032 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.929 5.693 6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.372 4.844 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.392 5.595 7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.884 8.176 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.343 8.241 7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.294 9.126 5.708 1.00 0.00 H new ATOM 1496 N VAL A 103 7.442 8.821 4.820 1.00 0.00 N ATOM 1497 CA VAL A 103 8.192 10.065 4.852 1.00 0.00 C ATOM 1498 C VAL A 103 9.561 9.814 5.489 1.00 0.00 C ATOM 1499 O VAL A 103 9.823 8.725 5.996 1.00 0.00 O ATOM 1500 CB VAL A 103 7.385 11.145 5.576 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.253 10.824 7.066 1.00 0.00 C ATOM 1502 CG2 VAL A 103 8.005 12.527 5.365 1.00 0.00 C ATOM 0 H VAL A 103 7.800 8.091 5.436 1.00 0.00 H new ATOM 0 HA VAL A 103 8.366 10.432 3.840 1.00 0.00 H new ATOM 0 HB VAL A 103 6.383 11.159 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.675 11.607 7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.745 9.867 7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.244 10.769 7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.412 13.276 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.023 12.532 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.022 12.759 4.300 1.00 0.00 H new ATOM 1512 N ASN A 104 10.397 10.841 5.442 1.00 0.00 N ATOM 1513 CA ASN A 104 11.731 10.746 6.009 1.00 0.00 C ATOM 1514 C ASN A 104 12.347 9.398 5.628 1.00 0.00 C ATOM 1515 O ASN A 104 13.068 8.794 6.421 1.00 0.00 O ATOM 1516 CB ASN A 104 11.689 10.832 7.535 1.00 0.00 C ATOM 1517 CG ASN A 104 12.601 11.949 8.047 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.776 11.754 8.312 1.00 0.00 O ATOM 1519 ND2 ASN A 104 11.996 13.127 8.172 1.00 0.00 N ATOM 0 H ASN A 104 10.176 11.743 5.020 1.00 0.00 H new ATOM 0 HA ASN A 104 12.323 11.573 5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.666 11.013 7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.998 9.879 7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.519 13.936 8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.009 13.221 7.933 1.00 0.00 H new ATOM 1526 N GLY A 105 12.040 8.965 4.413 1.00 0.00 N ATOM 1527 CA GLY A 105 12.555 7.700 3.918 1.00 0.00 C ATOM 1528 C GLY A 105 12.387 6.593 4.961 1.00 0.00 C ATOM 1529 O GLY A 105 13.102 5.593 4.931 1.00 0.00 O ATOM 0 H GLY A 105 11.441 9.468 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.032 7.424 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.609 7.807 3.663 1.00 0.00 H new ATOM 1533 N LEU A 106 11.438 6.811 5.860 1.00 0.00 N ATOM 1534 CA LEU A 106 11.167 5.844 6.911 1.00 0.00 C ATOM 1535 C LEU A 106 9.731 5.336 6.772 1.00 0.00 C ATOM 1536 O LEU A 106 9.058 5.628 5.785 1.00 0.00 O ATOM 1537 CB LEU A 106 11.477 6.445 8.284 1.00 0.00 C ATOM 1538 CG LEU A 106 12.959 6.548 8.651 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.136 7.114 10.062 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.661 5.199 8.484 1.00 0.00 C ATOM 0 H LEU A 106 10.848 7.642 5.882 1.00 0.00 H new ATOM 0 HA LEU A 106 11.823 4.979 6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.042 7.443 8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.976 5.845 9.043 1.00 0.00 H new ATOM 0 HG LEU A 106 13.434 7.246 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.198 7.177 10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.693 8.109 10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.643 6.460 10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.713 5.301 8.751 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.191 4.461 9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.580 4.873 7.447 1.00 0.00 H new ATOM 1552 N TYR A 107 9.304 4.583 7.776 1.00 0.00 N ATOM 1553 CA TYR A 107 7.960 4.031 7.778 1.00 0.00 C ATOM 1554 C TYR A 107 7.591 3.481 6.399 1.00 0.00 C ATOM 1555 O TYR A 107 6.636 3.944 5.778 1.00 0.00 O ATOM 1556 CB TYR A 107 7.027 5.195 8.117 1.00 0.00 C ATOM 1557 CG TYR A 107 7.616 6.196 9.113 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.051 5.763 10.349 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.711 7.531 8.776 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.605 6.705 11.287 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.265 8.472 9.714 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.685 8.013 10.923 1.00 0.00 C ATOM 1563 OH TYR A 107 9.208 8.902 11.809 1.00 0.00 O ATOM 0 H TYR A 107 9.865 4.343 8.593 1.00 0.00 H new ATOM 0 HA TYR A 107 7.882 3.212 8.493 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.771 5.721 7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.098 4.796 8.525 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.976 4.718 10.613 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.370 7.870 7.809 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.949 6.380 12.258 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.345 9.519 9.463 1.00 0.00 H new ATOM 0 HH TYR A 107 9.204 9.799 11.414 1.00 0.00 H new ATOM 1573 N PRO A 108 8.388 2.475 5.949 1.00 0.00 N ATOM 1574 CA PRO A 108 8.155 1.857 4.655 1.00 0.00 C ATOM 1575 C PRO A 108 6.944 0.922 4.705 1.00 0.00 C ATOM 1576 O PRO A 108 6.762 0.187 5.674 1.00 0.00 O ATOM 1577 CB PRO A 108 9.450 1.134 4.325 1.00 0.00 C ATOM 1578 CG PRO A 108 10.192 0.984 5.644 1.00 0.00 C ATOM 1579 CD PRO A 108 9.528 1.902 6.658 1.00 0.00 C ATOM 0 HA PRO A 108 7.912 2.583 3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.251 0.161 3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.042 1.701 3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.158 -0.050 5.986 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.243 1.246 5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.208 1.350 7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.214 2.678 6.998 1.00 0.00 H new ATOM 1587 N LEU A 109 6.148 0.981 3.647 1.00 0.00 N ATOM 1588 CA LEU A 109 4.961 0.149 3.557 1.00 0.00 C ATOM 1589 C LEU A 109 5.096 -0.798 2.363 1.00 0.00 C ATOM 1590 O LEU A 109 4.898 -0.392 1.219 1.00 0.00 O ATOM 1591 CB LEU A 109 3.701 1.016 3.515 1.00 0.00 C ATOM 1592 CG LEU A 109 3.260 1.624 4.848 1.00 0.00 C ATOM 1593 CD1 LEU A 109 3.017 0.534 5.894 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.266 2.670 5.333 1.00 0.00 C ATOM 0 H LEU A 109 6.302 1.592 2.845 1.00 0.00 H new ATOM 0 HA LEU A 109 4.863 -0.472 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.865 1.827 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.882 0.412 3.125 1.00 0.00 H new ATOM 0 HG LEU A 109 2.311 2.138 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.705 0.993 6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.236 -0.140 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.937 -0.028 6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.929 3.087 6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.241 2.202 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.346 3.468 4.595 1.00 0.00 H new ATOM 1606 N THR A 110 5.431 -2.043 2.670 1.00 0.00 N ATOM 1607 CA THR A 110 5.595 -3.051 1.637 1.00 0.00 C ATOM 1608 C THR A 110 4.231 -3.498 1.108 1.00 0.00 C ATOM 1609 O THR A 110 3.335 -3.823 1.886 1.00 0.00 O ATOM 1610 CB THR A 110 6.426 -4.195 2.220 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.715 -3.622 2.419 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.669 -5.317 1.208 1.00 0.00 C ATOM 0 H THR A 110 5.593 -2.376 3.620 1.00 0.00 H new ATOM 0 HA THR A 110 6.128 -2.651 0.774 1.00 0.00 H new ATOM 0 HB THR A 110 5.921 -4.600 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.318 -4.296 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.263 -6.104 1.673 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.713 -5.728 0.884 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.204 -4.919 0.346 1.00 0.00 H new ATOM 1620 N LEU A 111 4.116 -3.501 -0.212 1.00 0.00 N ATOM 1621 CA LEU A 111 2.876 -3.904 -0.854 1.00 0.00 C ATOM 1622 C LEU A 111 2.834 -5.430 -0.961 1.00 0.00 C ATOM 1623 O LEU A 111 3.822 -6.056 -1.342 1.00 0.00 O ATOM 1624 CB LEU A 111 2.712 -3.189 -2.197 1.00 0.00 C ATOM 1625 CG LEU A 111 1.659 -3.771 -3.142 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.287 -3.828 -2.467 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.617 -2.995 -4.460 1.00 0.00 C ATOM 0 H LEU A 111 4.861 -3.231 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 111 2.019 -3.603 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.461 -2.146 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.674 -3.195 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 111 1.943 -4.796 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.443 -4.246 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.344 -4.457 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.019 -2.822 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.860 -3.429 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.370 -1.952 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.591 -3.050 -4.946 1.00 0.00 H new ATOM 1639 N ARG A 112 1.681 -5.983 -0.617 1.00 0.00 N ATOM 1640 CA ARG A 112 1.497 -7.424 -0.669 1.00 0.00 C ATOM 1641 C ARG A 112 0.108 -7.762 -1.214 1.00 0.00 C ATOM 1642 O ARG A 112 -0.831 -6.983 -1.058 1.00 0.00 O ATOM 1643 CB ARG A 112 1.660 -8.050 0.717 1.00 0.00 C ATOM 1644 CG ARG A 112 3.123 -8.019 1.164 1.00 0.00 C ATOM 1645 CD ARG A 112 3.953 -9.048 0.394 1.00 0.00 C ATOM 1646 NE ARG A 112 5.395 -8.754 0.551 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.377 -9.587 0.178 1.00 0.00 C ATOM 1648 NH1 ARG A 112 6.077 -10.770 -0.375 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.657 -9.237 0.359 1.00 0.00 N ATOM 0 H ARG A 112 0.864 -5.460 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 112 2.260 -7.832 -1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.044 -7.512 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.303 -9.080 0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.535 -7.022 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 112 3.185 -8.223 2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.736 -10.051 0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.682 -9.029 -0.662 1.00 0.00 H new ATOM 0 HE ARG A 112 5.658 -7.862 0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.102 -11.036 -0.512 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.824 -11.404 -0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.885 -8.337 0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.404 -9.871 0.075 1.00 0.00 H new ATOM 1663 N TRP A 113 0.021 -8.925 -1.842 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.238 -9.376 -2.411 1.00 0.00 C ATOM 1665 C TRP A 113 -1.733 -10.563 -1.582 1.00 0.00 C ATOM 1666 O TRP A 113 -0.939 -11.396 -1.147 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.081 -9.709 -3.896 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.255 -10.492 -4.486 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.518 -11.800 -4.366 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.322 -9.959 -5.300 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.672 -12.148 -5.039 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -4.176 -10.993 -5.625 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.557 -8.646 -5.745 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -5.323 -10.822 -6.410 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.708 -8.492 -6.529 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.577 -9.523 -6.865 1.00 0.00 C ATOM 0 H TRP A 113 0.802 -9.569 -1.970 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.986 -8.584 -2.368 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.959 -8.781 -4.455 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.167 -10.286 -4.034 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.904 -12.495 -3.812 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.080 -13.081 -5.096 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.903 -7.822 -5.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.976 -11.648 -6.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.936 -7.503 -6.898 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.445 -9.323 -7.475 1.00 0.00 H new ATOM 1687 N SER A 114 -3.043 -10.603 -1.388 1.00 0.00 N ATOM 1688 CA SER A 114 -3.653 -11.674 -0.619 1.00 0.00 C ATOM 1689 C SER A 114 -4.143 -12.779 -1.557 1.00 0.00 C ATOM 1690 O SER A 114 -4.614 -12.499 -2.659 1.00 0.00 O ATOM 1691 CB SER A 114 -4.811 -11.150 0.233 1.00 0.00 C ATOM 1692 OG SER A 114 -5.211 -12.090 1.227 1.00 0.00 O ATOM 0 H SER A 114 -3.699 -9.911 -1.750 1.00 0.00 H new ATOM 0 HA SER A 114 -2.899 -12.084 0.053 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.514 -10.218 0.714 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.660 -10.920 -0.411 1.00 0.00 H new ATOM 0 HG SER A 114 -5.951 -11.717 1.751 1.00 0.00 H new