USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 717 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: B 51 TYR OH : rot -160:sc= 1.03 USER MOD Set 1.2: B 55 GLN : amide:sc= -0.021 K(o=1,f=0.063) USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 55 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.075) USER MOD Single : A 21 GLN : amide:sc= -2.06! C(o=-2.1!,f=-7.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.76! USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0374 USER MOD Single : A 47 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.86) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.78! K(o=-2.8!,f=-0.082) USER MOD Single : B 21 GLN : amide:sc= -4.98! C(o=-5!,f=-3.5!) USER MOD Single : B 25 TYR OH : rot 80:sc= -0.182 USER MOD Single : B 30 THR OG1 : rot -59:sc= 1.21 USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 ASN : amide:sc= -0.0224 K(o=-0.022,f=-0.8) USER MOD Single : B 61 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.17) USER MOD Single : B 62 ASN : amide:sc= -0.206 K(o=-0.21,f=-7.3!) USER MOD Single : B 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 24.437 6.745 4.715 1.00 0.00 N ATOM 298 CA ASP A 19 23.995 7.240 3.423 1.00 0.00 C ATOM 299 C ASP A 19 24.895 6.698 2.332 1.00 0.00 C ATOM 300 O ASP A 19 25.811 7.368 1.861 1.00 0.00 O ATOM 301 CB ASP A 19 23.960 8.770 3.374 1.00 0.00 C ATOM 302 CG ASP A 19 23.309 9.283 2.099 1.00 0.00 C ATOM 303 OD1 ASP A 19 22.077 9.140 1.964 1.00 0.00 O ATOM 304 OD2 ASP A 19 24.027 9.817 1.228 1.00 0.00 O ATOM 0 HA ASP A 19 22.975 6.890 3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 19 23.413 9.148 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 19 24.976 9.159 3.444 1.00 0.00 H new ATOM 309 N VAL A 20 24.673 5.443 2.001 1.00 0.00 N ATOM 310 CA VAL A 20 25.369 4.812 0.892 1.00 0.00 C ATOM 311 C VAL A 20 24.353 4.397 -0.155 1.00 0.00 C ATOM 312 O VAL A 20 23.828 3.286 -0.124 1.00 0.00 O ATOM 313 CB VAL A 20 26.191 3.576 1.324 1.00 0.00 C ATOM 314 CG1 VAL A 20 27.022 3.056 0.158 1.00 0.00 C ATOM 315 CG2 VAL A 20 27.080 3.905 2.517 1.00 0.00 C ATOM 0 H VAL A 20 24.013 4.835 2.485 1.00 0.00 H new ATOM 0 HA VAL A 20 26.073 5.541 0.490 1.00 0.00 H new ATOM 0 HB VAL A 20 25.497 2.793 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 20 27.595 2.186 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 20 26.362 2.774 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 20 27.705 3.836 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 20 27.648 3.020 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.768 4.707 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.461 4.224 3.355 1.00 0.00 H new ATOM 325 N GLN A 21 24.050 5.308 -1.057 1.00 0.00 N ATOM 326 CA GLN A 21 23.036 5.062 -2.059 1.00 0.00 C ATOM 327 C GLN A 21 23.609 5.177 -3.460 1.00 0.00 C ATOM 328 O GLN A 21 24.767 5.549 -3.643 1.00 0.00 O ATOM 329 CB GLN A 21 21.838 6.005 -1.866 1.00 0.00 C ATOM 330 CG GLN A 21 22.172 7.363 -1.251 1.00 0.00 C ATOM 331 CD GLN A 21 22.864 8.317 -2.204 1.00 0.00 C ATOM 332 OE1 GLN A 21 22.672 8.253 -3.418 1.00 0.00 O ATOM 333 NE2 GLN A 21 23.649 9.231 -1.659 1.00 0.00 N ATOM 0 H GLN A 21 24.492 6.225 -1.116 1.00 0.00 H new ATOM 0 HA GLN A 21 22.680 4.039 -1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 21 21.365 6.169 -2.834 1.00 0.00 H new ATOM 0 HB3 GLN A 21 21.103 5.508 -1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 21 21.252 7.825 -0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 21 22.809 7.209 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 21 23.783 9.251 -0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 21 24.121 9.916 -2.250 1.00 0.00 H new ATOM 342 N ILE A 22 22.803 4.822 -4.443 1.00 0.00 N ATOM 343 CA ILE A 22 23.215 4.888 -5.829 1.00 0.00 C ATOM 344 C ILE A 22 22.159 5.627 -6.632 1.00 0.00 C ATOM 345 O ILE A 22 20.978 5.606 -6.282 1.00 0.00 O ATOM 346 CB ILE A 22 23.435 3.482 -6.436 1.00 0.00 C ATOM 347 CG1 ILE A 22 24.423 2.677 -5.592 1.00 0.00 C ATOM 348 CG2 ILE A 22 23.952 3.594 -7.860 1.00 0.00 C ATOM 349 CD1 ILE A 22 24.698 1.297 -6.148 1.00 0.00 C ATOM 0 H ILE A 22 21.851 4.482 -4.303 1.00 0.00 H new ATOM 0 HA ILE A 22 24.166 5.419 -5.870 1.00 0.00 H new ATOM 0 HB ILE A 22 22.476 2.964 -6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.362 3.226 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.032 2.582 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 22 24.101 2.596 -8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 22 23.227 4.133 -8.469 1.00 0.00 H new ATOM 0 HG23 ILE A 22 24.899 4.133 -7.862 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.407 0.779 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.768 0.731 -6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 22 25.118 1.385 -7.150 1.00 0.00 H new ATOM 361 N ASP A 23 22.587 6.287 -7.694 1.00 0.00 N ATOM 362 CA ASP A 23 21.691 7.058 -8.525 1.00 0.00 C ATOM 363 C ASP A 23 21.051 6.167 -9.592 1.00 0.00 C ATOM 364 O ASP A 23 21.192 4.944 -9.562 1.00 0.00 O ATOM 365 CB ASP A 23 22.463 8.199 -9.185 1.00 0.00 C ATOM 366 CG ASP A 23 23.215 7.759 -10.420 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.053 6.836 -10.322 1.00 0.00 O ATOM 368 OD2 ASP A 23 22.936 8.318 -11.500 1.00 0.00 O ATOM 0 H ASP A 23 23.560 6.301 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 23 20.897 7.472 -7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.768 8.995 -9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.167 8.619 -8.467 1.00 0.00 H new ATOM 373 N PHE A 24 20.365 6.794 -10.539 1.00 0.00 N ATOM 374 CA PHE A 24 19.658 6.087 -11.599 1.00 0.00 C ATOM 375 C PHE A 24 20.635 5.461 -12.603 1.00 0.00 C ATOM 376 O PHE A 24 20.261 4.573 -13.371 1.00 0.00 O ATOM 377 CB PHE A 24 18.709 7.062 -12.306 1.00 0.00 C ATOM 378 CG PHE A 24 17.698 6.402 -13.199 1.00 0.00 C ATOM 379 CD1 PHE A 24 16.635 5.698 -12.656 1.00 0.00 C ATOM 380 CD2 PHE A 24 17.805 6.489 -14.577 1.00 0.00 C ATOM 381 CE1 PHE A 24 15.699 5.091 -13.471 1.00 0.00 C ATOM 382 CE2 PHE A 24 16.872 5.884 -15.397 1.00 0.00 C ATOM 383 CZ PHE A 24 15.818 5.185 -14.843 1.00 0.00 C ATOM 0 H PHE A 24 20.283 7.809 -10.594 1.00 0.00 H new ATOM 0 HA PHE A 24 19.084 5.273 -11.156 1.00 0.00 H new ATOM 0 HB2 PHE A 24 18.183 7.649 -11.553 1.00 0.00 H new ATOM 0 HB3 PHE A 24 19.300 7.760 -12.899 1.00 0.00 H new ATOM 0 HD1 PHE A 24 16.537 5.623 -11.583 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.627 7.036 -15.015 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.876 4.544 -13.035 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.967 5.958 -16.470 1.00 0.00 H new ATOM 0 HZ PHE A 24 15.087 4.712 -15.483 1.00 0.00 H new ATOM 393 N TYR A 25 21.881 5.928 -12.599 1.00 0.00 N ATOM 394 CA TYR A 25 22.892 5.412 -13.515 1.00 0.00 C ATOM 395 C TYR A 25 23.400 4.051 -13.039 1.00 0.00 C ATOM 396 O TYR A 25 23.590 3.141 -13.845 1.00 0.00 O ATOM 397 CB TYR A 25 24.056 6.397 -13.647 1.00 0.00 C ATOM 398 CG TYR A 25 24.653 6.447 -15.036 1.00 0.00 C ATOM 399 CD1 TYR A 25 24.014 7.143 -16.056 1.00 0.00 C ATOM 400 CD2 TYR A 25 25.852 5.806 -15.333 1.00 0.00 C ATOM 401 CE1 TYR A 25 24.547 7.198 -17.329 1.00 0.00 C ATOM 402 CE2 TYR A 25 26.392 5.858 -16.605 1.00 0.00 C ATOM 403 CZ TYR A 25 25.736 6.557 -17.599 1.00 0.00 C ATOM 404 OH TYR A 25 26.269 6.609 -18.868 1.00 0.00 O ATOM 0 H TYR A 25 22.213 6.661 -11.973 1.00 0.00 H new ATOM 0 HA TYR A 25 22.433 5.289 -14.496 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.710 7.394 -13.373 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.835 6.123 -12.935 1.00 0.00 H new ATOM 0 HD1 TYR A 25 23.083 7.650 -15.849 1.00 0.00 H new ATOM 0 HD2 TYR A 25 26.369 5.259 -14.558 1.00 0.00 H new ATOM 0 HE1 TYR A 25 24.034 7.741 -18.109 1.00 0.00 H new ATOM 0 HE2 TYR A 25 27.323 5.354 -16.820 1.00 0.00 H new ATOM 0 HH TYR A 25 27.110 6.107 -18.890 1.00 0.00 H new ATOM 414 N GLY A 26 23.624 3.915 -11.734 1.00 0.00 N ATOM 415 CA GLY A 26 23.966 2.618 -11.179 1.00 0.00 C ATOM 416 C GLY A 26 25.441 2.452 -10.862 1.00 0.00 C ATOM 417 O GLY A 26 25.989 1.355 -11.005 1.00 0.00 O ATOM 0 H GLY A 26 23.575 4.675 -11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.389 2.461 -10.268 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.667 1.842 -11.884 1.00 0.00 H new ATOM 421 N ASP A 27 26.089 3.524 -10.428 1.00 0.00 N ATOM 422 CA ASP A 27 27.480 3.435 -9.992 1.00 0.00 C ATOM 423 C ASP A 27 27.550 3.433 -8.464 1.00 0.00 C ATOM 424 O ASP A 27 27.535 2.373 -7.835 1.00 0.00 O ATOM 425 CB ASP A 27 28.309 4.590 -10.570 1.00 0.00 C ATOM 426 CG ASP A 27 29.788 4.458 -10.256 1.00 0.00 C ATOM 427 OD1 ASP A 27 30.508 3.792 -11.028 1.00 0.00 O ATOM 428 OD2 ASP A 27 30.237 5.021 -9.237 1.00 0.00 O ATOM 0 H ASP A 27 25.681 4.457 -10.368 1.00 0.00 H new ATOM 0 HA ASP A 27 27.901 2.501 -10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 27 28.172 4.626 -11.651 1.00 0.00 H new ATOM 0 HB3 ASP A 27 27.939 5.534 -10.170 1.00 0.00 H new ATOM 433 N GLU A 28 27.596 4.627 -7.882 1.00 0.00 N ATOM 434 CA GLU A 28 27.575 4.813 -6.432 1.00 0.00 C ATOM 435 C GLU A 28 27.527 6.301 -6.141 1.00 0.00 C ATOM 436 O GLU A 28 28.194 7.085 -6.814 1.00 0.00 O ATOM 437 CB GLU A 28 28.813 4.213 -5.756 1.00 0.00 C ATOM 438 CG GLU A 28 28.759 4.305 -4.240 1.00 0.00 C ATOM 439 CD GLU A 28 30.108 4.096 -3.584 1.00 0.00 C ATOM 440 OE1 GLU A 28 30.945 5.021 -3.623 1.00 0.00 O ATOM 441 OE2 GLU A 28 30.342 3.006 -3.024 1.00 0.00 O ATOM 0 H GLU A 28 27.649 5.501 -8.406 1.00 0.00 H new ATOM 0 HA GLU A 28 26.699 4.301 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.910 3.168 -6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.703 4.729 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.371 5.283 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.058 3.561 -3.861 1.00 0.00 H new ATOM 448 N VAL A 29 26.733 6.700 -5.164 1.00 0.00 N ATOM 449 CA VAL A 29 26.662 8.098 -4.799 1.00 0.00 C ATOM 450 C VAL A 29 26.932 8.281 -3.318 1.00 0.00 C ATOM 451 O VAL A 29 26.170 7.826 -2.467 1.00 0.00 O ATOM 452 CB VAL A 29 25.298 8.726 -5.131 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.386 10.238 -5.034 1.00 0.00 C ATOM 454 CG2 VAL A 29 24.813 8.297 -6.504 1.00 0.00 C ATOM 0 H VAL A 29 26.135 6.081 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 29 27.426 8.605 -5.388 1.00 0.00 H new ATOM 0 HB VAL A 29 24.569 8.370 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.416 10.675 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 29 25.674 10.521 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 29 26.131 10.605 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 29 23.847 8.758 -6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.533 8.613 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 29 24.711 7.212 -6.531 1.00 0.00 H new ATOM 464 N THR A 30 28.037 8.924 -3.021 1.00 0.00 N ATOM 465 CA THR A 30 28.362 9.292 -1.666 1.00 0.00 C ATOM 466 C THR A 30 28.369 10.813 -1.552 1.00 0.00 C ATOM 467 O THR A 30 28.387 11.503 -2.574 1.00 0.00 O ATOM 468 CB THR A 30 29.725 8.696 -1.256 1.00 0.00 C ATOM 469 OG1 THR A 30 30.711 8.998 -2.250 1.00 0.00 O ATOM 470 CG2 THR A 30 29.624 7.184 -1.084 1.00 0.00 C ATOM 0 H THR A 30 28.733 9.205 -3.711 1.00 0.00 H new ATOM 0 HA THR A 30 27.611 8.889 -0.986 1.00 0.00 H new ATOM 0 HB THR A 30 30.018 9.139 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 30 31.573 8.618 -1.981 1.00 0.00 H new ATOM 0 HG21 THR A 30 30.596 6.785 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.892 6.954 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 30 29.311 6.731 -2.025 1.00 0.00 H new ATOM 478 N PRO A 31 28.323 11.355 -0.322 1.00 0.00 N ATOM 479 CA PRO A 31 28.316 12.813 -0.072 1.00 0.00 C ATOM 480 C PRO A 31 29.522 13.569 -0.654 1.00 0.00 C ATOM 481 O PRO A 31 29.698 14.759 -0.383 1.00 0.00 O ATOM 482 CB PRO A 31 28.334 12.910 1.459 1.00 0.00 C ATOM 483 CG PRO A 31 27.779 11.615 1.935 1.00 0.00 C ATOM 484 CD PRO A 31 28.216 10.587 0.934 1.00 0.00 C ATOM 0 HA PRO A 31 27.456 13.276 -0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 31 29.346 13.066 1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 31 27.732 13.749 1.808 1.00 0.00 H new ATOM 0 HG2 PRO A 31 28.151 11.373 2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.692 11.657 2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 31 29.169 10.136 1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.492 9.776 0.849 1.00 0.00 H new ATOM 492 N VAL A 32 30.353 12.888 -1.436 1.00 0.00 N ATOM 493 CA VAL A 32 31.475 13.533 -2.102 1.00 0.00 C ATOM 494 C VAL A 32 31.136 13.827 -3.563 1.00 0.00 C ATOM 495 O VAL A 32 31.915 14.460 -4.277 1.00 0.00 O ATOM 496 CB VAL A 32 32.761 12.681 -2.037 1.00 0.00 C ATOM 497 CG1 VAL A 32 33.127 12.375 -0.595 1.00 0.00 C ATOM 498 CG2 VAL A 32 32.606 11.399 -2.838 1.00 0.00 C ATOM 0 H VAL A 32 30.269 11.889 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 32 31.661 14.467 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 32 33.572 13.258 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.036 11.774 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.294 13.308 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 32 32.314 11.824 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 32 33.526 10.818 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 32 31.779 10.815 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 32 32.402 11.644 -3.880 1.00 0.00 H new ATOM 508 N ASP A 33 29.972 13.357 -4.012 1.00 0.00 N ATOM 509 CA ASP A 33 29.515 13.644 -5.367 1.00 0.00 C ATOM 510 C ASP A 33 28.190 14.388 -5.324 1.00 0.00 C ATOM 511 O ASP A 33 27.487 14.363 -4.313 1.00 0.00 O ATOM 512 CB ASP A 33 29.398 12.373 -6.215 1.00 0.00 C ATOM 513 CG ASP A 33 29.469 12.683 -7.702 1.00 0.00 C ATOM 514 OD1 ASP A 33 30.593 12.835 -8.228 1.00 0.00 O ATOM 515 OD2 ASP A 33 28.413 12.802 -8.351 1.00 0.00 O ATOM 0 H ASP A 33 29.335 12.781 -3.461 1.00 0.00 H new ATOM 0 HA ASP A 33 30.264 14.277 -5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 33 30.198 11.682 -5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.456 11.872 -5.992 1.00 0.00 H new ATOM 520 N ASP A 34 27.858 15.057 -6.415 1.00 0.00 N ATOM 521 CA ASP A 34 26.689 15.919 -6.455 1.00 0.00 C ATOM 522 C ASP A 34 25.509 15.165 -7.049 1.00 0.00 C ATOM 523 O ASP A 34 25.578 14.678 -8.179 1.00 0.00 O ATOM 524 CB ASP A 34 26.992 17.170 -7.283 1.00 0.00 C ATOM 525 CG ASP A 34 26.501 18.445 -6.627 1.00 0.00 C ATOM 526 OD1 ASP A 34 25.329 18.809 -6.829 1.00 0.00 O ATOM 527 OD2 ASP A 34 27.304 19.098 -5.917 1.00 0.00 O ATOM 0 H ASP A 34 28.384 15.019 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 34 26.434 16.224 -5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 34 28.068 17.241 -7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 34 26.529 17.071 -8.265 1.00 0.00 H new ATOM 532 N TYR A 35 24.430 15.054 -6.290 1.00 0.00 N ATOM 533 CA TYR A 35 23.267 14.311 -6.746 1.00 0.00 C ATOM 534 C TYR A 35 21.986 14.997 -6.307 1.00 0.00 C ATOM 535 O TYR A 35 21.983 15.798 -5.374 1.00 0.00 O ATOM 536 CB TYR A 35 23.300 12.873 -6.215 1.00 0.00 C ATOM 537 CG TYR A 35 22.977 12.741 -4.740 1.00 0.00 C ATOM 538 CD1 TYR A 35 23.936 12.993 -3.767 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.710 12.351 -4.325 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.641 12.861 -2.424 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.405 12.216 -2.987 1.00 0.00 C ATOM 542 CZ TYR A 35 22.376 12.470 -2.039 1.00 0.00 C ATOM 543 OH TYR A 35 22.081 12.343 -0.700 1.00 0.00 O ATOM 0 H TYR A 35 24.336 15.466 -5.362 1.00 0.00 H new ATOM 0 HA TYR A 35 23.292 14.282 -7.835 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.591 12.272 -6.785 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.290 12.455 -6.396 1.00 0.00 H new ATOM 0 HD1 TYR A 35 24.928 13.297 -4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 35 20.949 12.150 -5.065 1.00 0.00 H new ATOM 0 HE1 TYR A 35 24.397 13.063 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.414 11.914 -2.683 1.00 0.00 H new ATOM 0 HH TYR A 35 21.148 12.061 -0.596 1.00 0.00 H new ATOM 553 N VAL A 36 20.901 14.676 -6.987 1.00 0.00 N ATOM 554 CA VAL A 36 19.603 15.256 -6.693 1.00 0.00 C ATOM 555 C VAL A 36 18.545 14.160 -6.659 1.00 0.00 C ATOM 556 O VAL A 36 18.610 13.208 -7.434 1.00 0.00 O ATOM 557 CB VAL A 36 19.223 16.320 -7.750 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.852 16.914 -7.477 1.00 0.00 C ATOM 559 CG2 VAL A 36 20.268 17.420 -7.798 1.00 0.00 C ATOM 0 H VAL A 36 20.894 14.007 -7.757 1.00 0.00 H new ATOM 0 HA VAL A 36 19.655 15.742 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 36 19.186 15.821 -8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.619 17.657 -8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 36 17.102 16.123 -7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.850 17.388 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.984 18.159 -8.547 1.00 0.00 H new ATOM 0 HG22 VAL A 36 20.336 17.900 -6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 36 21.235 16.992 -8.060 1.00 0.00 H new ATOM 569 N ILE A 37 17.591 14.278 -5.745 1.00 0.00 N ATOM 570 CA ILE A 37 16.522 13.298 -5.647 1.00 0.00 C ATOM 571 C ILE A 37 15.239 13.840 -6.264 1.00 0.00 C ATOM 572 O ILE A 37 14.725 14.879 -5.831 1.00 0.00 O ATOM 573 CB ILE A 37 16.238 12.882 -4.186 1.00 0.00 C ATOM 574 CG1 ILE A 37 17.438 12.140 -3.593 1.00 0.00 C ATOM 575 CG2 ILE A 37 14.989 12.013 -4.110 1.00 0.00 C ATOM 576 CD1 ILE A 37 17.143 11.516 -2.248 1.00 0.00 C ATOM 0 H ILE A 37 17.537 15.037 -5.066 1.00 0.00 H new ATOM 0 HA ILE A 37 16.858 12.417 -6.194 1.00 0.00 H new ATOM 0 HB ILE A 37 16.068 13.786 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 37 17.755 11.361 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.272 12.834 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 37 14.805 11.730 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.134 12.571 -4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.133 11.115 -4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.033 11.005 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 37 16.854 12.294 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 37 16.329 10.798 -2.351 1.00 0.00 H new ATOM 588 N ASP A 38 14.718 13.131 -7.260 1.00 0.00 N ATOM 589 CA ASP A 38 13.450 13.515 -7.873 1.00 0.00 C ATOM 590 C ASP A 38 12.325 12.748 -7.207 1.00 0.00 C ATOM 591 O ASP A 38 12.002 11.621 -7.589 1.00 0.00 O ATOM 592 CB ASP A 38 13.441 13.264 -9.387 1.00 0.00 C ATOM 593 CG ASP A 38 12.092 13.582 -10.029 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.549 14.674 -9.769 1.00 0.00 O ATOM 595 OD2 ASP A 38 11.571 12.738 -10.793 1.00 0.00 O ATOM 0 H ASP A 38 15.148 12.296 -7.657 1.00 0.00 H new ATOM 0 HA ASP A 38 13.312 14.586 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.215 13.872 -9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.694 12.221 -9.580 1.00 0.00 H new ATOM 600 N GLY A 39 11.795 13.330 -6.147 1.00 0.00 N ATOM 601 CA GLY A 39 10.701 12.716 -5.428 1.00 0.00 C ATOM 602 C GLY A 39 11.164 11.616 -4.488 1.00 0.00 C ATOM 603 O GLY A 39 10.858 11.635 -3.301 1.00 0.00 O ATOM 0 H GLY A 39 12.105 14.225 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.173 13.479 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.988 12.303 -6.142 1.00 0.00 H new ATOM 607 N GLY A 40 11.946 10.696 -5.009 1.00 0.00 N ATOM 608 CA GLY A 40 12.353 9.535 -4.247 1.00 0.00 C ATOM 609 C GLY A 40 13.502 8.814 -4.910 1.00 0.00 C ATOM 610 O GLY A 40 14.342 8.215 -4.241 1.00 0.00 O ATOM 0 H GLY A 40 12.314 10.729 -5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.645 9.842 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.508 8.854 -4.139 1.00 0.00 H new ATOM 614 N GLU A 41 13.540 8.878 -6.234 1.00 0.00 N ATOM 615 CA GLU A 41 14.630 8.294 -6.985 1.00 0.00 C ATOM 616 C GLU A 41 15.824 9.244 -6.998 1.00 0.00 C ATOM 617 O GLU A 41 15.669 10.463 -7.074 1.00 0.00 O ATOM 618 CB GLU A 41 14.179 7.981 -8.413 1.00 0.00 C ATOM 619 CG GLU A 41 12.919 7.130 -8.480 1.00 0.00 C ATOM 620 CD GLU A 41 13.036 5.833 -7.703 1.00 0.00 C ATOM 621 OE1 GLU A 41 13.587 4.853 -8.246 1.00 0.00 O ATOM 622 OE2 GLU A 41 12.574 5.779 -6.544 1.00 0.00 O ATOM 0 H GLU A 41 12.826 9.330 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 41 14.931 7.363 -6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.004 8.917 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.985 7.465 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.078 7.705 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.696 6.903 -9.523 1.00 0.00 H new ATOM 629 N ILE A 42 17.006 8.667 -6.910 1.00 0.00 N ATOM 630 CA ILE A 42 18.247 9.420 -6.839 1.00 0.00 C ATOM 631 C ILE A 42 18.897 9.497 -8.212 1.00 0.00 C ATOM 632 O ILE A 42 18.934 8.509 -8.938 1.00 0.00 O ATOM 633 CB ILE A 42 19.221 8.749 -5.845 1.00 0.00 C ATOM 634 CG1 ILE A 42 18.621 8.757 -4.440 1.00 0.00 C ATOM 635 CG2 ILE A 42 20.575 9.446 -5.851 1.00 0.00 C ATOM 636 CD1 ILE A 42 19.315 7.832 -3.471 1.00 0.00 C ATOM 0 H ILE A 42 17.136 7.656 -6.885 1.00 0.00 H new ATOM 0 HA ILE A 42 18.019 10.429 -6.494 1.00 0.00 H new ATOM 0 HB ILE A 42 19.375 7.716 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.658 9.773 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.569 8.477 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.241 8.953 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.006 9.394 -6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 42 20.448 10.490 -5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.830 7.895 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 42 19.256 6.808 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 42 20.361 8.123 -3.375 1.00 0.00 H new ATOM 648 N ILE A 43 19.377 10.676 -8.582 1.00 0.00 N ATOM 649 CA ILE A 43 20.074 10.846 -9.847 1.00 0.00 C ATOM 650 C ILE A 43 21.299 11.733 -9.648 1.00 0.00 C ATOM 651 O ILE A 43 21.209 12.780 -9.005 1.00 0.00 O ATOM 652 CB ILE A 43 19.183 11.491 -10.944 1.00 0.00 C ATOM 653 CG1 ILE A 43 17.757 10.931 -10.932 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.808 11.269 -12.311 1.00 0.00 C ATOM 655 CD1 ILE A 43 16.828 11.638 -9.962 1.00 0.00 C ATOM 0 H ILE A 43 19.296 11.527 -8.025 1.00 0.00 H new ATOM 0 HA ILE A 43 20.357 9.848 -10.181 1.00 0.00 H new ATOM 0 HB ILE A 43 19.121 12.558 -10.730 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.340 11.002 -11.937 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.795 9.872 -10.677 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.179 11.723 -13.077 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.798 11.725 -12.337 1.00 0.00 H new ATOM 0 HG23 ILE A 43 19.896 10.199 -12.501 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.838 11.185 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.220 11.545 -8.949 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.758 12.693 -10.228 1.00 0.00 H new ATOM 667 N LEU A 44 22.446 11.306 -10.168 1.00 0.00 N ATOM 668 CA LEU A 44 23.633 12.156 -10.179 1.00 0.00 C ATOM 669 C LEU A 44 23.351 13.439 -10.938 1.00 0.00 C ATOM 670 O LEU A 44 22.522 13.458 -11.846 1.00 0.00 O ATOM 671 CB LEU A 44 24.816 11.446 -10.841 1.00 0.00 C ATOM 672 CG LEU A 44 25.411 10.293 -10.048 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.481 9.581 -10.859 1.00 0.00 C ATOM 674 CD2 LEU A 44 25.980 10.794 -8.730 1.00 0.00 C ATOM 0 H LEU A 44 22.579 10.384 -10.584 1.00 0.00 H new ATOM 0 HA LEU A 44 23.886 12.380 -9.143 1.00 0.00 H new ATOM 0 HB2 LEU A 44 24.495 11.069 -11.812 1.00 0.00 H new ATOM 0 HB3 LEU A 44 25.600 12.180 -11.027 1.00 0.00 H new ATOM 0 HG LEU A 44 24.618 9.578 -9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 44 26.894 8.759 -10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 44 26.042 9.189 -11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 44 27.276 10.284 -11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 44 26.402 9.957 -8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 44 26.760 11.529 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 44 25.186 11.256 -8.143 1.00 0.00 H new ATOM 686 N ARG A 45 24.057 14.501 -10.588 1.00 0.00 N ATOM 687 CA ARG A 45 23.929 15.768 -11.297 1.00 0.00 C ATOM 688 C ARG A 45 24.382 15.620 -12.744 1.00 0.00 C ATOM 689 O ARG A 45 24.068 16.453 -13.593 1.00 0.00 O ATOM 690 CB ARG A 45 24.741 16.856 -10.594 1.00 0.00 C ATOM 691 CG ARG A 45 24.079 17.396 -9.337 1.00 0.00 C ATOM 692 CD ARG A 45 22.961 18.373 -9.658 1.00 0.00 C ATOM 693 NE ARG A 45 23.433 19.544 -10.398 1.00 0.00 N ATOM 694 CZ ARG A 45 23.940 20.639 -9.825 1.00 0.00 C ATOM 695 NH1 ARG A 45 24.229 20.651 -8.528 1.00 0.00 N ATOM 696 NH2 ARG A 45 24.211 21.710 -10.562 1.00 0.00 N ATOM 0 H ARG A 45 24.725 14.513 -9.818 1.00 0.00 H new ATOM 0 HA ARG A 45 22.879 16.060 -11.293 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.721 16.455 -10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.907 17.679 -11.289 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.680 16.567 -8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.827 17.891 -8.718 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.194 17.863 -10.242 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.491 18.699 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 45 23.371 19.523 -11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 45 24.064 19.819 -7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 45 24.616 21.492 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.032 21.697 -11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.598 22.546 -10.124 1.00 0.00 H new ATOM 710 N GLU A 46 25.104 14.539 -13.024 1.00 0.00 N ATOM 711 CA GLU A 46 25.604 14.288 -14.367 1.00 0.00 C ATOM 712 C GLU A 46 24.483 13.762 -15.265 1.00 0.00 C ATOM 713 O GLU A 46 24.379 14.132 -16.434 1.00 0.00 O ATOM 714 CB GLU A 46 26.752 13.275 -14.313 1.00 0.00 C ATOM 715 CG GLU A 46 27.619 13.263 -15.560 1.00 0.00 C ATOM 716 CD GLU A 46 28.403 14.548 -15.730 1.00 0.00 C ATOM 717 OE1 GLU A 46 27.886 15.488 -16.364 1.00 0.00 O ATOM 718 OE2 GLU A 46 29.541 14.627 -15.229 1.00 0.00 O ATOM 0 H GLU A 46 25.354 13.826 -12.339 1.00 0.00 H new ATOM 0 HA GLU A 46 25.972 15.225 -14.785 1.00 0.00 H new ATOM 0 HB2 GLU A 46 27.378 13.496 -13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.338 12.278 -14.160 1.00 0.00 H new ATOM 0 HG2 GLU A 46 28.311 12.422 -15.510 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.989 13.106 -16.436 1.00 0.00 H new ATOM 725 N ASN A 47 23.632 12.915 -14.695 1.00 0.00 N ATOM 726 CA ASN A 47 22.564 12.261 -15.452 1.00 0.00 C ATOM 727 C ASN A 47 21.209 12.876 -15.099 1.00 0.00 C ATOM 728 O ASN A 47 20.158 12.439 -15.572 1.00 0.00 O ATOM 729 CB ASN A 47 22.568 10.756 -15.136 1.00 0.00 C ATOM 730 CG ASN A 47 21.600 9.956 -15.991 1.00 0.00 C ATOM 731 OD1 ASN A 47 21.328 10.302 -17.138 1.00 0.00 O ATOM 732 ND2 ASN A 47 21.078 8.875 -15.433 1.00 0.00 N ATOM 0 H ASN A 47 23.660 12.663 -13.707 1.00 0.00 H new ATOM 0 HA ASN A 47 22.736 12.406 -16.519 1.00 0.00 H new ATOM 0 HB2 ASN A 47 23.575 10.365 -15.279 1.00 0.00 H new ATOM 0 HB3 ASN A 47 22.317 10.613 -14.085 1.00 0.00 H new ATOM 0 HD21 ASN A 47 20.424 8.295 -15.959 1.00 0.00 H new ATOM 0 HD22 ASN A 47 21.330 8.622 -14.478 1.00 0.00 H new ATOM 739 N LEU A 48 21.250 13.909 -14.269 1.00 0.00 N ATOM 740 CA LEU A 48 20.042 14.547 -13.756 1.00 0.00 C ATOM 741 C LEU A 48 19.189 15.115 -14.883 1.00 0.00 C ATOM 742 O LEU A 48 17.964 14.985 -14.874 1.00 0.00 O ATOM 743 CB LEU A 48 20.412 15.666 -12.778 1.00 0.00 C ATOM 744 CG LEU A 48 19.228 16.335 -12.081 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.545 15.360 -11.130 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.680 17.585 -11.340 1.00 0.00 C ATOM 0 H LEU A 48 22.117 14.328 -13.932 1.00 0.00 H new ATOM 0 HA LEU A 48 19.459 13.785 -13.238 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.078 15.258 -12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.974 16.428 -13.318 1.00 0.00 H new ATOM 0 HG LEU A 48 18.505 16.632 -12.841 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.705 15.855 -10.643 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.183 14.498 -11.691 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.258 15.029 -10.375 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.823 18.047 -10.850 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.424 17.315 -10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.117 18.289 -12.048 1.00 0.00 H new ATOM 758 N GLU A 49 19.852 15.727 -15.857 1.00 0.00 N ATOM 759 CA GLU A 49 19.168 16.384 -16.962 1.00 0.00 C ATOM 760 C GLU A 49 18.257 15.412 -17.699 1.00 0.00 C ATOM 761 O GLU A 49 17.061 15.659 -17.832 1.00 0.00 O ATOM 762 CB GLU A 49 20.184 16.977 -17.932 1.00 0.00 C ATOM 763 CG GLU A 49 21.195 17.890 -17.264 1.00 0.00 C ATOM 764 CD GLU A 49 22.142 18.525 -18.256 1.00 0.00 C ATOM 765 OE1 GLU A 49 23.011 17.812 -18.794 1.00 0.00 O ATOM 766 OE2 GLU A 49 22.016 19.744 -18.499 1.00 0.00 O ATOM 0 H GLU A 49 20.870 15.781 -15.903 1.00 0.00 H new ATOM 0 HA GLU A 49 18.554 17.184 -16.549 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.713 16.166 -18.433 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.655 17.536 -18.703 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.668 18.672 -16.717 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.768 17.320 -16.533 1.00 0.00 H new ATOM 773 N ARG A 50 18.828 14.303 -18.154 1.00 0.00 N ATOM 774 CA ARG A 50 18.076 13.296 -18.896 1.00 0.00 C ATOM 775 C ARG A 50 16.857 12.827 -18.111 1.00 0.00 C ATOM 776 O ARG A 50 15.734 12.878 -18.608 1.00 0.00 O ATOM 777 CB ARG A 50 18.967 12.092 -19.218 1.00 0.00 C ATOM 778 CG ARG A 50 19.700 12.173 -20.551 1.00 0.00 C ATOM 779 CD ARG A 50 20.502 13.456 -20.700 1.00 0.00 C ATOM 780 NE ARG A 50 19.737 14.517 -21.362 1.00 0.00 N ATOM 781 CZ ARG A 50 20.205 15.749 -21.563 1.00 0.00 C ATOM 782 NH1 ARG A 50 21.371 16.111 -21.038 1.00 0.00 N ATOM 783 NH2 ARG A 50 19.501 16.625 -22.274 1.00 0.00 N ATOM 0 H ARG A 50 19.814 14.077 -18.022 1.00 0.00 H new ATOM 0 HA ARG A 50 17.737 13.757 -19.824 1.00 0.00 H new ATOM 0 HB2 ARG A 50 19.703 11.980 -18.422 1.00 0.00 H new ATOM 0 HB3 ARG A 50 18.352 11.192 -19.212 1.00 0.00 H new ATOM 0 HG2 ARG A 50 20.369 11.318 -20.646 1.00 0.00 H new ATOM 0 HG3 ARG A 50 18.977 12.104 -21.364 1.00 0.00 H new ATOM 0 HD2 ARG A 50 20.819 13.800 -19.715 1.00 0.00 H new ATOM 0 HD3 ARG A 50 21.407 13.252 -21.273 1.00 0.00 H new ATOM 0 HE ARG A 50 18.795 14.301 -21.687 1.00 0.00 H new ATOM 0 HH11 ARG A 50 21.908 15.446 -20.481 1.00 0.00 H new ATOM 0 HH12 ARG A 50 21.729 17.054 -21.192 1.00 0.00 H new ATOM 0 HH21 ARG A 50 18.600 16.355 -22.668 1.00 0.00 H new ATOM 0 HH22 ARG A 50 19.862 17.567 -22.426 1.00 0.00 H new ATOM 797 N TYR A 51 17.083 12.392 -16.879 1.00 0.00 N ATOM 798 CA TYR A 51 16.011 11.851 -16.054 1.00 0.00 C ATOM 799 C TYR A 51 14.893 12.873 -15.848 1.00 0.00 C ATOM 800 O TYR A 51 13.713 12.539 -15.962 1.00 0.00 O ATOM 801 CB TYR A 51 16.554 11.389 -14.700 1.00 0.00 C ATOM 802 CG TYR A 51 15.490 10.829 -13.782 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.109 9.494 -13.854 1.00 0.00 C ATOM 804 CD2 TYR A 51 14.863 11.638 -12.845 1.00 0.00 C ATOM 805 CE1 TYR A 51 14.132 8.984 -13.018 1.00 0.00 C ATOM 806 CE2 TYR A 51 13.891 11.137 -12.007 1.00 0.00 C ATOM 807 CZ TYR A 51 13.526 9.812 -12.096 1.00 0.00 C ATOM 808 OH TYR A 51 12.556 9.314 -11.258 1.00 0.00 O ATOM 0 H TYR A 51 17.998 12.403 -16.429 1.00 0.00 H new ATOM 0 HA TYR A 51 15.593 10.993 -16.581 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.318 10.629 -14.864 1.00 0.00 H new ATOM 0 HB3 TYR A 51 17.042 12.230 -14.207 1.00 0.00 H new ATOM 0 HD1 TYR A 51 15.584 8.844 -14.574 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.142 12.679 -12.771 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.846 7.945 -13.087 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.416 11.782 -11.282 1.00 0.00 H new ATOM 0 HH TYR A 51 12.233 10.029 -10.670 1.00 0.00 H new ATOM 818 N LEU A 52 15.259 14.113 -15.545 1.00 0.00 N ATOM 819 CA LEU A 52 14.267 15.155 -15.316 1.00 0.00 C ATOM 820 C LEU A 52 13.508 15.471 -16.598 1.00 0.00 C ATOM 821 O LEU A 52 12.281 15.493 -16.612 1.00 0.00 O ATOM 822 CB LEU A 52 14.920 16.428 -14.768 1.00 0.00 C ATOM 823 CG LEU A 52 15.570 16.296 -13.392 1.00 0.00 C ATOM 824 CD1 LEU A 52 16.061 17.653 -12.912 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.596 15.695 -12.389 1.00 0.00 C ATOM 0 H LEU A 52 16.228 14.419 -15.453 1.00 0.00 H new ATOM 0 HA LEU A 52 13.562 14.781 -14.574 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.678 16.761 -15.478 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.163 17.211 -14.719 1.00 0.00 H new ATOM 0 HG LEU A 52 16.424 15.624 -13.477 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.522 17.547 -11.930 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.794 18.045 -13.617 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.219 18.342 -12.844 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.081 15.611 -11.417 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.720 16.337 -12.303 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.289 14.706 -12.728 1.00 0.00 H new ATOM 837 N ARG A 53 14.243 15.678 -17.679 1.00 0.00 N ATOM 838 CA ARG A 53 13.634 16.038 -18.956 1.00 0.00 C ATOM 839 C ARG A 53 12.708 14.930 -19.441 1.00 0.00 C ATOM 840 O ARG A 53 11.720 15.188 -20.133 1.00 0.00 O ATOM 841 CB ARG A 53 14.717 16.338 -19.993 1.00 0.00 C ATOM 842 CG ARG A 53 15.578 17.535 -19.622 1.00 0.00 C ATOM 843 CD ARG A 53 16.714 17.743 -20.606 1.00 0.00 C ATOM 844 NE ARG A 53 16.226 18.053 -21.943 1.00 0.00 N ATOM 845 CZ ARG A 53 16.664 19.070 -22.682 1.00 0.00 C ATOM 846 NH1 ARG A 53 17.648 19.849 -22.246 1.00 0.00 N ATOM 847 NH2 ARG A 53 16.122 19.300 -23.869 1.00 0.00 N ATOM 0 H ARG A 53 15.260 15.604 -17.701 1.00 0.00 H new ATOM 0 HA ARG A 53 13.035 16.938 -18.815 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.354 15.461 -20.109 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.247 16.521 -20.959 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.958 18.431 -19.588 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.986 17.392 -18.621 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.353 18.554 -20.256 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.330 16.845 -20.644 1.00 0.00 H new ATOM 0 HE ARG A 53 15.502 17.452 -22.338 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.075 19.670 -21.337 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.976 20.626 -22.820 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.373 18.699 -24.213 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.454 20.078 -24.439 1.00 0.00 H new ATOM 861 N GLU A 54 13.022 13.701 -19.058 1.00 0.00 N ATOM 862 CA GLU A 54 12.171 12.567 -19.363 1.00 0.00 C ATOM 863 C GLU A 54 10.985 12.484 -18.405 1.00 0.00 C ATOM 864 O GLU A 54 9.836 12.376 -18.842 1.00 0.00 O ATOM 865 CB GLU A 54 12.971 11.263 -19.317 1.00 0.00 C ATOM 866 CG GLU A 54 13.433 10.773 -20.682 1.00 0.00 C ATOM 867 CD GLU A 54 14.313 11.766 -21.412 1.00 0.00 C ATOM 868 OE1 GLU A 54 13.772 12.609 -22.159 1.00 0.00 O ATOM 869 OE2 GLU A 54 15.550 11.691 -21.265 1.00 0.00 O ATOM 0 H GLU A 54 13.864 13.466 -18.533 1.00 0.00 H new ATOM 0 HA GLU A 54 11.784 12.712 -20.372 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.843 11.406 -18.679 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.360 10.490 -18.852 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.979 9.838 -20.558 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.559 10.553 -21.296 1.00 0.00 H new ATOM 876 N GLN A 55 11.247 12.518 -17.101 1.00 0.00 N ATOM 877 CA GLN A 55 10.185 12.318 -16.127 1.00 0.00 C ATOM 878 C GLN A 55 9.719 13.619 -15.465 1.00 0.00 C ATOM 879 O GLN A 55 8.595 14.059 -15.714 1.00 0.00 O ATOM 880 CB GLN A 55 10.620 11.309 -15.064 1.00 0.00 C ATOM 881 CG GLN A 55 9.534 10.985 -14.048 1.00 0.00 C ATOM 882 CD GLN A 55 9.857 9.770 -13.201 1.00 0.00 C ATOM 883 OE1 GLN A 55 9.466 9.687 -12.039 1.00 0.00 O ATOM 884 NE2 GLN A 55 10.549 8.803 -13.783 1.00 0.00 N ATOM 0 H GLN A 55 12.172 12.680 -16.702 1.00 0.00 H new ATOM 0 HA GLN A 55 9.330 11.925 -16.678 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.932 10.388 -15.556 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.491 11.700 -14.539 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.386 11.846 -13.396 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.593 10.816 -14.572 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.857 8.907 -14.750 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.774 7.954 -13.265 1.00 0.00 H new ATOM 893 N LEU A 56 10.583 14.248 -14.652 1.00 0.00 N ATOM 894 CA LEU A 56 10.158 15.354 -13.773 1.00 0.00 C ATOM 895 C LEU A 56 8.887 14.957 -13.027 1.00 0.00 C ATOM 896 O LEU A 56 7.949 15.752 -12.899 1.00 0.00 O ATOM 897 CB LEU A 56 9.900 16.642 -14.571 1.00 0.00 C ATOM 898 CG LEU A 56 11.133 17.486 -14.900 1.00 0.00 C ATOM 899 CD1 LEU A 56 10.752 18.654 -15.796 1.00 0.00 C ATOM 900 CD2 LEU A 56 11.790 17.991 -13.623 1.00 0.00 C ATOM 0 H LEU A 56 11.573 14.013 -14.584 1.00 0.00 H new ATOM 0 HA LEU A 56 10.964 15.548 -13.065 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.408 16.374 -15.506 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.201 17.260 -14.008 1.00 0.00 H new ATOM 0 HG LEU A 56 11.848 16.859 -15.432 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.640 19.245 -16.021 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.323 18.276 -16.724 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.019 19.280 -15.286 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.665 18.589 -13.876 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.081 18.603 -13.066 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.095 17.142 -13.011 1.00 0.00 H new ATOM 912 N GLY A 57 8.862 13.727 -12.532 1.00 0.00 N ATOM 913 CA GLY A 57 7.620 13.148 -12.079 1.00 0.00 C ATOM 914 C GLY A 57 7.549 12.892 -10.592 1.00 0.00 C ATOM 915 O GLY A 57 6.535 12.371 -10.119 1.00 0.00 O ATOM 0 H GLY A 57 9.679 13.124 -12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.802 13.811 -12.359 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.461 12.206 -12.604 1.00 0.00 H new ATOM 919 N PHE A 58 8.601 13.255 -9.853 1.00 0.00 N ATOM 920 CA PHE A 58 8.616 13.076 -8.398 1.00 0.00 C ATOM 921 C PHE A 58 8.437 11.595 -8.059 1.00 0.00 C ATOM 922 O PHE A 58 8.763 10.715 -8.856 1.00 0.00 O ATOM 923 CB PHE A 58 7.474 13.864 -7.728 1.00 0.00 C ATOM 924 CG PHE A 58 7.423 15.341 -8.018 1.00 0.00 C ATOM 925 CD1 PHE A 58 7.098 15.812 -9.283 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.667 16.259 -7.011 1.00 0.00 C ATOM 927 CE1 PHE A 58 7.026 17.167 -9.537 1.00 0.00 C ATOM 928 CE2 PHE A 58 7.591 17.617 -7.259 1.00 0.00 C ATOM 929 CZ PHE A 58 7.269 18.070 -8.521 1.00 0.00 C ATOM 0 H PHE A 58 9.449 13.673 -10.235 1.00 0.00 H new ATOM 0 HA PHE A 58 9.573 13.445 -8.028 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.527 13.422 -8.036 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.553 13.730 -6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.899 15.109 -10.079 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.920 15.910 -6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.780 17.520 -10.528 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.784 18.323 -6.465 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.207 19.131 -8.715 1.00 0.00 H new ATOM 939 N GLU A 59 7.924 11.329 -6.867 1.00 0.00 N ATOM 940 CA GLU A 59 7.438 10.005 -6.530 1.00 0.00 C ATOM 941 C GLU A 59 5.971 10.111 -6.126 1.00 0.00 C ATOM 942 O GLU A 59 5.648 10.531 -5.013 1.00 0.00 O ATOM 943 CB GLU A 59 8.273 9.395 -5.401 1.00 0.00 C ATOM 944 CG GLU A 59 7.785 8.031 -4.934 1.00 0.00 C ATOM 945 CD GLU A 59 7.884 6.964 -6.006 1.00 0.00 C ATOM 946 OE1 GLU A 59 6.988 6.896 -6.873 1.00 0.00 O ATOM 947 OE2 GLU A 59 8.846 6.172 -5.969 1.00 0.00 O ATOM 0 H GLU A 59 7.835 12.015 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 59 7.529 9.348 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.306 9.304 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.272 10.079 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.368 7.721 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.748 8.115 -4.608 1.00 0.00 H new ATOM 954 N PHE A 60 5.089 9.741 -7.040 1.00 0.00 N ATOM 955 CA PHE A 60 3.655 9.871 -6.817 1.00 0.00 C ATOM 956 C PHE A 60 3.043 8.550 -6.390 1.00 0.00 C ATOM 957 O PHE A 60 2.953 7.607 -7.177 1.00 0.00 O ATOM 958 CB PHE A 60 2.957 10.394 -8.076 1.00 0.00 C ATOM 959 CG PHE A 60 2.893 11.894 -8.155 1.00 0.00 C ATOM 960 CD1 PHE A 60 4.042 12.650 -8.313 1.00 0.00 C ATOM 961 CD2 PHE A 60 1.675 12.549 -8.065 1.00 0.00 C ATOM 962 CE1 PHE A 60 3.978 14.030 -8.378 1.00 0.00 C ATOM 963 CE2 PHE A 60 1.605 13.929 -8.128 1.00 0.00 C ATOM 964 CZ PHE A 60 2.759 14.669 -8.285 1.00 0.00 C ATOM 0 H PHE A 60 5.340 9.347 -7.947 1.00 0.00 H new ATOM 0 HA PHE A 60 3.510 10.590 -6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.480 10.015 -8.954 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.944 9.994 -8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.000 12.156 -8.386 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.769 11.974 -7.944 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.882 14.607 -8.502 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.649 14.426 -8.054 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.708 15.747 -8.335 1.00 0.00 H new ATOM 974 N LYS A 61 2.617 8.489 -5.141 1.00 0.00 N ATOM 975 CA LYS A 61 1.992 7.290 -4.613 1.00 0.00 C ATOM 976 C LYS A 61 0.520 7.552 -4.319 1.00 0.00 C ATOM 977 O LYS A 61 0.084 7.517 -3.170 1.00 0.00 O ATOM 978 CB LYS A 61 2.703 6.827 -3.340 1.00 0.00 C ATOM 979 CG LYS A 61 4.174 6.487 -3.527 1.00 0.00 C ATOM 980 CD LYS A 61 4.368 5.242 -4.379 1.00 0.00 C ATOM 981 CE LYS A 61 5.825 4.804 -4.387 1.00 0.00 C ATOM 982 NZ LYS A 61 6.052 3.603 -5.238 1.00 0.00 N ATOM 0 H LYS A 61 2.693 9.256 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 61 2.072 6.502 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.617 7.609 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.187 5.950 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.684 7.329 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.638 6.335 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.745 4.434 -3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.039 5.441 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.446 5.624 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.142 4.588 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.059 3.344 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.481 2.811 -4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.775 3.815 -6.218 1.00 0.00 H new ATOM 996 N ASN A 62 -0.237 7.840 -5.366 1.00 0.00 N ATOM 997 CA ASN A 62 -1.662 8.102 -5.220 1.00 0.00 C ATOM 998 C ASN A 62 -2.403 6.801 -4.959 1.00 0.00 C ATOM 999 O ASN A 62 -1.983 5.736 -5.424 1.00 0.00 O ATOM 1000 CB ASN A 62 -2.238 8.771 -6.477 1.00 0.00 C ATOM 1001 CG ASN A 62 -1.643 10.139 -6.760 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -2.106 11.156 -6.238 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -0.638 10.180 -7.622 1.00 0.00 N ATOM 0 H ASN A 62 0.109 7.898 -6.324 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.793 8.780 -4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.064 8.123 -7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.318 8.869 -6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.219 11.075 -7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.283 9.317 -8.033 1.00 0.00 H new ATOM 1010 N ALA A 63 -3.503 6.888 -4.226 1.00 0.00 N ATOM 1011 CA ALA A 63 -4.344 5.730 -3.977 1.00 0.00 C ATOM 1012 C ALA A 63 -5.103 5.381 -5.249 1.00 0.00 C ATOM 1013 O ALA A 63 -5.442 4.221 -5.491 1.00 0.00 O ATOM 1014 CB ALA A 63 -5.306 6.006 -2.830 1.00 0.00 C ATOM 0 H ALA A 63 -3.833 7.751 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.720 4.883 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.928 5.128 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.740 6.233 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.940 6.856 -3.083 1.00 0.00 H new ATOM 1477 N ASP B 19 4.908 -1.708 5.462 1.00 0.00 N ATOM 1478 CA ASP B 19 5.492 -0.381 5.354 1.00 0.00 C ATOM 1479 C ASP B 19 4.460 0.705 5.637 1.00 0.00 C ATOM 1480 O ASP B 19 3.786 1.209 4.743 1.00 0.00 O ATOM 1481 CB ASP B 19 6.167 -0.174 3.986 1.00 0.00 C ATOM 1482 CG ASP B 19 5.237 -0.356 2.799 1.00 0.00 C ATOM 1483 OD1 ASP B 19 4.654 -1.452 2.653 1.00 0.00 O ATOM 1484 OD2 ASP B 19 5.112 0.592 1.989 1.00 0.00 O ATOM 0 HA ASP B 19 6.268 -0.301 6.116 1.00 0.00 H new ATOM 0 HB2 ASP B 19 6.591 0.830 3.951 1.00 0.00 H new ATOM 0 HB3 ASP B 19 6.997 -0.874 3.893 1.00 0.00 H new ATOM 1489 N VAL B 20 4.326 1.033 6.914 1.00 0.00 N ATOM 1490 CA VAL B 20 3.465 2.122 7.341 1.00 0.00 C ATOM 1491 C VAL B 20 4.303 3.375 7.525 1.00 0.00 C ATOM 1492 O VAL B 20 5.282 3.367 8.271 1.00 0.00 O ATOM 1493 CB VAL B 20 2.736 1.799 8.665 1.00 0.00 C ATOM 1494 CG1 VAL B 20 1.744 2.899 9.022 1.00 0.00 C ATOM 1495 CG2 VAL B 20 2.037 0.451 8.573 1.00 0.00 C ATOM 0 H VAL B 20 4.807 0.555 7.676 1.00 0.00 H new ATOM 0 HA VAL B 20 2.708 2.272 6.572 1.00 0.00 H new ATOM 0 HB VAL B 20 3.480 1.747 9.460 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.244 2.648 9.958 1.00 0.00 H new ATOM 0 HG12 VAL B 20 2.274 3.844 9.136 1.00 0.00 H new ATOM 0 HG13 VAL B 20 1.003 2.992 8.228 1.00 0.00 H new ATOM 0 HG21 VAL B 20 1.529 0.240 9.514 1.00 0.00 H new ATOM 0 HG22 VAL B 20 1.307 0.474 7.764 1.00 0.00 H new ATOM 0 HG23 VAL B 20 2.773 -0.328 8.375 1.00 0.00 H new ATOM 1505 N GLN B 21 3.932 4.441 6.842 1.00 0.00 N ATOM 1506 CA GLN B 21 4.707 5.669 6.886 1.00 0.00 C ATOM 1507 C GLN B 21 3.825 6.873 7.183 1.00 0.00 C ATOM 1508 O GLN B 21 2.594 6.795 7.127 1.00 0.00 O ATOM 1509 CB GLN B 21 5.489 5.860 5.575 1.00 0.00 C ATOM 1510 CG GLN B 21 4.711 5.511 4.309 1.00 0.00 C ATOM 1511 CD GLN B 21 3.661 6.539 3.935 1.00 0.00 C ATOM 1512 OE1 GLN B 21 2.633 6.200 3.357 1.00 0.00 O ATOM 1513 NE2 GLN B 21 3.921 7.804 4.236 1.00 0.00 N ATOM 0 H GLN B 21 3.102 4.483 6.251 1.00 0.00 H new ATOM 0 HA GLN B 21 5.425 5.586 7.702 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.814 6.898 5.510 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.389 5.246 5.612 1.00 0.00 H new ATOM 0 HG2 GLN B 21 5.412 5.403 3.481 1.00 0.00 H new ATOM 0 HG3 GLN B 21 4.227 4.544 4.446 1.00 0.00 H new ATOM 0 HE21 GLN B 21 4.787 8.046 4.717 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.255 8.535 3.986 1.00 0.00 H new ATOM 1522 N ILE B 22 4.459 7.982 7.515 1.00 0.00 N ATOM 1523 CA ILE B 22 3.744 9.210 7.789 1.00 0.00 C ATOM 1524 C ILE B 22 4.191 10.295 6.813 1.00 0.00 C ATOM 1525 O ILE B 22 5.238 10.172 6.177 1.00 0.00 O ATOM 1526 CB ILE B 22 3.964 9.681 9.246 1.00 0.00 C ATOM 1527 CG1 ILE B 22 3.652 8.554 10.232 1.00 0.00 C ATOM 1528 CG2 ILE B 22 3.091 10.885 9.559 1.00 0.00 C ATOM 1529 CD1 ILE B 22 3.738 8.987 11.680 1.00 0.00 C ATOM 0 H ILE B 22 5.473 8.055 7.601 1.00 0.00 H new ATOM 0 HA ILE B 22 2.679 9.019 7.659 1.00 0.00 H new ATOM 0 HB ILE B 22 5.011 9.964 9.350 1.00 0.00 H new ATOM 0 HG12 ILE B 22 2.651 8.172 10.033 1.00 0.00 H new ATOM 0 HG13 ILE B 22 4.346 7.731 10.064 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.261 11.200 10.588 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.342 11.702 8.883 1.00 0.00 H new ATOM 0 HG23 ILE B 22 2.042 10.617 9.430 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.506 8.141 12.327 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.746 9.342 11.894 1.00 0.00 H new ATOM 0 HD13 ILE B 22 3.024 9.790 11.863 1.00 0.00 H new ATOM 1541 N ASP B 23 3.382 11.332 6.677 1.00 0.00 N ATOM 1542 CA ASP B 23 3.679 12.432 5.782 1.00 0.00 C ATOM 1543 C ASP B 23 4.486 13.516 6.507 1.00 0.00 C ATOM 1544 O ASP B 23 5.094 13.264 7.547 1.00 0.00 O ATOM 1545 CB ASP B 23 2.376 13.024 5.259 1.00 0.00 C ATOM 1546 CG ASP B 23 1.667 13.835 6.318 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.125 13.238 7.272 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.686 15.072 6.204 1.00 0.00 O ATOM 0 H ASP B 23 2.503 11.433 7.184 1.00 0.00 H new ATOM 0 HA ASP B 23 4.274 12.057 4.949 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.584 13.656 4.395 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.723 12.221 4.917 1.00 0.00 H new ATOM 1553 N PHE B 24 4.465 14.722 5.953 1.00 0.00 N ATOM 1554 CA PHE B 24 5.253 15.830 6.459 1.00 0.00 C ATOM 1555 C PHE B 24 4.698 16.388 7.775 1.00 0.00 C ATOM 1556 O PHE B 24 5.474 16.750 8.661 1.00 0.00 O ATOM 1557 CB PHE B 24 5.328 16.933 5.397 1.00 0.00 C ATOM 1558 CG PHE B 24 6.312 18.022 5.716 1.00 0.00 C ATOM 1559 CD1 PHE B 24 7.675 17.789 5.618 1.00 0.00 C ATOM 1560 CD2 PHE B 24 5.876 19.277 6.106 1.00 0.00 C ATOM 1561 CE1 PHE B 24 8.585 18.789 5.903 1.00 0.00 C ATOM 1562 CE2 PHE B 24 6.782 20.281 6.393 1.00 0.00 C ATOM 1563 CZ PHE B 24 8.138 20.036 6.291 1.00 0.00 C ATOM 0 H PHE B 24 3.898 14.956 5.138 1.00 0.00 H new ATOM 0 HA PHE B 24 6.254 15.456 6.673 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.596 16.484 4.440 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.339 17.375 5.276 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.030 16.815 5.315 1.00 0.00 H new ATOM 0 HD2 PHE B 24 4.817 19.474 6.187 1.00 0.00 H new ATOM 0 HE1 PHE B 24 9.644 18.595 5.822 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.430 21.256 6.697 1.00 0.00 H new ATOM 0 HZ PHE B 24 8.847 20.819 6.515 1.00 0.00 H new ATOM 1573 N TYR B 25 3.372 16.456 7.928 1.00 0.00 N ATOM 1574 CA TYR B 25 2.810 17.049 9.145 1.00 0.00 C ATOM 1575 C TYR B 25 2.661 16.035 10.266 1.00 0.00 C ATOM 1576 O TYR B 25 2.159 16.361 11.343 1.00 0.00 O ATOM 1577 CB TYR B 25 1.488 17.802 8.911 1.00 0.00 C ATOM 1578 CG TYR B 25 0.455 17.136 8.028 1.00 0.00 C ATOM 1579 CD1 TYR B 25 -0.324 16.086 8.489 1.00 0.00 C ATOM 1580 CD2 TYR B 25 0.238 17.594 6.733 1.00 0.00 C ATOM 1581 CE1 TYR B 25 -1.285 15.503 7.681 1.00 0.00 C ATOM 1582 CE2 TYR B 25 -0.724 17.021 5.925 1.00 0.00 C ATOM 1583 CZ TYR B 25 -1.482 15.975 6.402 1.00 0.00 C ATOM 1584 OH TYR B 25 -2.444 15.406 5.600 1.00 0.00 O ATOM 0 H TYR B 25 2.688 16.120 7.250 1.00 0.00 H new ATOM 0 HA TYR B 25 3.542 17.794 9.457 1.00 0.00 H new ATOM 0 HB2 TYR B 25 1.030 17.989 9.882 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.726 18.774 8.478 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -0.179 15.717 9.494 1.00 0.00 H new ATOM 0 HD2 TYR B 25 0.832 18.412 6.353 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -1.878 14.681 8.052 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -0.881 17.392 4.923 1.00 0.00 H new ATOM 0 HH TYR B 25 -3.324 15.763 5.842 1.00 0.00 H new ATOM 1594 N GLY B 26 3.103 14.813 10.022 1.00 0.00 N ATOM 1595 CA GLY B 26 3.184 13.841 11.085 1.00 0.00 C ATOM 1596 C GLY B 26 1.836 13.311 11.526 1.00 0.00 C ATOM 1597 O GLY B 26 1.711 12.803 12.642 1.00 0.00 O ATOM 0 H GLY B 26 3.406 14.478 9.107 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.803 13.006 10.756 1.00 0.00 H new ATOM 0 HA3 GLY B 26 3.685 14.292 11.941 1.00 0.00 H new ATOM 1601 N ASP B 27 0.821 13.436 10.678 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.466 12.809 10.982 1.00 0.00 C ATOM 1603 C ASP B 27 -0.369 11.291 10.818 1.00 0.00 C ATOM 1604 O ASP B 27 -0.065 10.583 11.779 1.00 0.00 O ATOM 1605 CB ASP B 27 -1.588 13.371 10.107 1.00 0.00 C ATOM 1606 CG ASP B 27 -2.960 12.920 10.567 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -3.234 12.993 11.785 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -3.776 12.515 9.719 1.00 0.00 O ATOM 0 H ASP B 27 0.857 13.950 9.798 1.00 0.00 H new ATOM 0 HA ASP B 27 -0.711 13.039 12.019 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -1.544 14.460 10.119 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -1.432 13.057 9.075 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.603 10.804 9.598 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.455 9.384 9.268 1.00 0.00 C ATOM 1615 C GLU B 28 -0.907 9.149 7.836 1.00 0.00 C ATOM 1616 O GLU B 28 -1.877 9.756 7.378 1.00 0.00 O ATOM 1617 CB GLU B 28 -1.276 8.489 10.202 1.00 0.00 C ATOM 1618 CG GLU B 28 -0.884 7.022 10.133 1.00 0.00 C ATOM 1619 CD GLU B 28 -1.711 6.153 11.055 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -1.372 6.054 12.252 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -2.713 5.572 10.594 1.00 0.00 O ATOM 0 H GLU B 28 -0.900 11.381 8.811 1.00 0.00 H new ATOM 0 HA GLU B 28 0.597 9.125 9.389 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.158 8.841 11.227 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.332 8.587 9.951 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.997 6.668 9.108 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.170 6.919 10.392 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.207 8.279 7.126 1.00 0.00 N ATOM 1629 CA VAL B 29 -0.576 7.961 5.760 1.00 0.00 C ATOM 1630 C VAL B 29 -0.828 6.465 5.615 1.00 0.00 C ATOM 1631 O VAL B 29 0.033 5.646 5.931 1.00 0.00 O ATOM 1632 CB VAL B 29 0.512 8.405 4.763 1.00 0.00 C ATOM 1633 CG1 VAL B 29 0.066 8.150 3.337 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.851 9.873 4.953 1.00 0.00 C ATOM 0 H VAL B 29 0.615 7.784 7.472 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.491 8.507 5.530 1.00 0.00 H new ATOM 0 HB VAL B 29 1.408 7.816 4.958 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.848 8.470 2.648 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.124 7.086 3.200 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.847 8.711 3.135 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.621 10.164 4.239 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.042 10.477 4.790 1.00 0.00 H new ATOM 0 HG23 VAL B 29 1.217 10.034 5.967 1.00 0.00 H new ATOM 1644 N THR B 30 -2.016 6.113 5.160 1.00 0.00 N ATOM 1645 CA THR B 30 -2.368 4.722 4.964 1.00 0.00 C ATOM 1646 C THR B 30 -2.397 4.397 3.470 1.00 0.00 C ATOM 1647 O THR B 30 -2.476 5.300 2.638 1.00 0.00 O ATOM 1648 CB THR B 30 -3.734 4.397 5.613 1.00 0.00 C ATOM 1649 OG1 THR B 30 -4.785 5.153 4.994 1.00 0.00 O ATOM 1650 CG2 THR B 30 -3.701 4.697 7.109 1.00 0.00 C ATOM 0 H THR B 30 -2.754 6.774 4.919 1.00 0.00 H new ATOM 0 HA THR B 30 -1.612 4.105 5.448 1.00 0.00 H new ATOM 0 HB THR B 30 -3.930 3.335 5.466 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.598 6.110 5.087 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.670 4.462 7.549 1.00 0.00 H new ATOM 0 HG22 THR B 30 -2.930 4.090 7.585 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.479 5.753 7.264 1.00 0.00 H new ATOM 1658 N PRO B 31 -2.316 3.105 3.108 1.00 0.00 N ATOM 1659 CA PRO B 31 -2.340 2.661 1.702 1.00 0.00 C ATOM 1660 C PRO B 31 -3.649 2.989 0.979 1.00 0.00 C ATOM 1661 O PRO B 31 -3.833 2.616 -0.179 1.00 0.00 O ATOM 1662 CB PRO B 31 -2.159 1.141 1.792 1.00 0.00 C ATOM 1663 CG PRO B 31 -1.615 0.886 3.157 1.00 0.00 C ATOM 1664 CD PRO B 31 -2.153 1.978 4.036 1.00 0.00 C ATOM 0 HA PRO B 31 -1.569 3.170 1.124 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -3.107 0.623 1.644 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -1.475 0.781 1.023 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -1.923 -0.094 3.522 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -0.525 0.895 3.149 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -3.100 1.695 4.496 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -1.464 2.219 4.846 1.00 0.00 H new ATOM 1672 N VAL B 32 -4.557 3.677 1.659 1.00 0.00 N ATOM 1673 CA VAL B 32 -5.818 4.085 1.059 1.00 0.00 C ATOM 1674 C VAL B 32 -5.845 5.610 0.917 1.00 0.00 C ATOM 1675 O VAL B 32 -6.884 6.215 0.648 1.00 0.00 O ATOM 1676 CB VAL B 32 -7.029 3.614 1.905 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -8.323 3.681 1.104 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -6.805 2.205 2.435 1.00 0.00 C ATOM 0 H VAL B 32 -4.442 3.965 2.631 1.00 0.00 H new ATOM 0 HA VAL B 32 -5.895 3.618 0.077 1.00 0.00 H new ATOM 0 HB VAL B 32 -7.121 4.292 2.753 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -9.153 3.344 1.725 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -8.501 4.708 0.786 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -8.242 3.038 0.227 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -7.668 1.897 3.025 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -6.673 1.518 1.599 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -5.913 2.189 3.061 1.00 0.00 H new ATOM 1688 N ASP B 33 -4.684 6.224 1.093 1.00 0.00 N ATOM 1689 CA ASP B 33 -4.566 7.675 1.028 1.00 0.00 C ATOM 1690 C ASP B 33 -3.741 8.086 -0.175 1.00 0.00 C ATOM 1691 O ASP B 33 -2.954 7.299 -0.701 1.00 0.00 O ATOM 1692 CB ASP B 33 -3.914 8.248 2.291 1.00 0.00 C ATOM 1693 CG ASP B 33 -4.768 8.095 3.531 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -5.965 8.448 3.482 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -4.239 7.637 4.569 1.00 0.00 O ATOM 0 H ASP B 33 -3.807 5.739 1.283 1.00 0.00 H new ATOM 0 HA ASP B 33 -5.577 8.074 0.943 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -2.957 7.752 2.454 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -3.702 9.305 2.133 1.00 0.00 H new ATOM 1700 N ASP B 34 -3.917 9.321 -0.603 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.147 9.856 -1.711 1.00 0.00 C ATOM 1702 C ASP B 34 -1.987 10.681 -1.180 1.00 0.00 C ATOM 1703 O ASP B 34 -2.177 11.794 -0.681 1.00 0.00 O ATOM 1704 CB ASP B 34 -4.024 10.716 -2.624 1.00 0.00 C ATOM 1705 CG ASP B 34 -5.117 9.922 -3.309 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -4.826 9.265 -4.332 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -6.271 9.961 -2.835 1.00 0.00 O ATOM 0 H ASP B 34 -4.588 9.975 -0.200 1.00 0.00 H new ATOM 0 HA ASP B 34 -2.762 9.021 -2.296 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.476 11.516 -2.037 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.398 11.190 -3.380 1.00 0.00 H new ATOM 1712 N TYR B 35 -0.785 10.136 -1.265 1.00 0.00 N ATOM 1713 CA TYR B 35 0.388 10.841 -0.782 1.00 0.00 C ATOM 1714 C TYR B 35 1.467 10.874 -1.851 1.00 0.00 C ATOM 1715 O TYR B 35 1.483 10.051 -2.765 1.00 0.00 O ATOM 1716 CB TYR B 35 0.926 10.205 0.507 1.00 0.00 C ATOM 1717 CG TYR B 35 1.710 8.922 0.308 1.00 0.00 C ATOM 1718 CD1 TYR B 35 1.069 7.694 0.190 1.00 0.00 C ATOM 1719 CD2 TYR B 35 3.096 8.946 0.260 1.00 0.00 C ATOM 1720 CE1 TYR B 35 1.793 6.528 0.032 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.827 7.789 0.097 1.00 0.00 C ATOM 1722 CZ TYR B 35 3.171 6.580 -0.015 1.00 0.00 C ATOM 1723 OH TYR B 35 3.894 5.420 -0.175 1.00 0.00 O ATOM 0 H TYR B 35 -0.597 9.215 -1.661 1.00 0.00 H new ATOM 0 HA TYR B 35 0.094 11.865 -0.553 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.565 10.929 1.013 1.00 0.00 H new ATOM 0 HB3 TYR B 35 0.087 10.001 1.172 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.010 7.651 0.222 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.613 9.890 0.352 1.00 0.00 H new ATOM 0 HE1 TYR B 35 1.283 5.580 -0.054 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.906 7.828 0.057 1.00 0.00 H new ATOM 0 HH TYR B 35 4.851 5.630 -0.189 1.00 0.00 H new ATOM 1733 N VAL B 36 2.356 11.839 -1.741 1.00 0.00 N ATOM 1734 CA VAL B 36 3.423 12.007 -2.707 1.00 0.00 C ATOM 1735 C VAL B 36 4.740 12.264 -1.985 1.00 0.00 C ATOM 1736 O VAL B 36 4.768 12.928 -0.950 1.00 0.00 O ATOM 1737 CB VAL B 36 3.104 13.170 -3.673 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.238 13.419 -4.652 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.815 12.899 -4.428 1.00 0.00 C ATOM 0 H VAL B 36 2.361 12.525 -0.986 1.00 0.00 H new ATOM 0 HA VAL B 36 3.512 11.092 -3.292 1.00 0.00 H new ATOM 0 HB VAL B 36 2.982 14.068 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL B 36 3.973 14.244 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.145 13.671 -4.102 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.411 12.521 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.607 13.729 -5.103 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.917 11.979 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.994 12.793 -3.719 1.00 0.00 H new ATOM 1749 N ILE B 37 5.815 11.709 -2.513 1.00 0.00 N ATOM 1750 CA ILE B 37 7.131 11.878 -1.923 1.00 0.00 C ATOM 1751 C ILE B 37 7.954 12.839 -2.771 1.00 0.00 C ATOM 1752 O ILE B 37 8.106 12.638 -3.979 1.00 0.00 O ATOM 1753 CB ILE B 37 7.857 10.517 -1.784 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.943 9.499 -1.096 1.00 0.00 C ATOM 1755 CG2 ILE B 37 9.147 10.676 -0.991 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.566 8.127 -0.935 1.00 0.00 C ATOM 0 H ILE B 37 5.802 11.133 -3.355 1.00 0.00 H new ATOM 0 HA ILE B 37 7.013 12.295 -0.923 1.00 0.00 H new ATOM 0 HB ILE B 37 8.105 10.156 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.666 9.880 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.022 9.404 -1.672 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.642 9.709 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.806 11.376 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.918 11.057 0.004 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.858 7.462 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.817 7.724 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.471 8.207 -0.333 1.00 0.00 H new ATOM 1768 N ASP B 38 8.449 13.897 -2.139 1.00 0.00 N ATOM 1769 CA ASP B 38 9.266 14.895 -2.821 1.00 0.00 C ATOM 1770 C ASP B 38 10.640 14.996 -2.177 1.00 0.00 C ATOM 1771 O ASP B 38 10.843 15.708 -1.196 1.00 0.00 O ATOM 1772 CB ASP B 38 8.588 16.267 -2.827 1.00 0.00 C ATOM 1773 CG ASP B 38 9.452 17.342 -3.474 1.00 0.00 C ATOM 1774 OD1 ASP B 38 9.585 17.332 -4.714 1.00 0.00 O ATOM 1775 OD2 ASP B 38 9.997 18.197 -2.743 1.00 0.00 O ATOM 0 H ASP B 38 8.298 14.087 -1.148 1.00 0.00 H new ATOM 0 HA ASP B 38 9.382 14.570 -3.855 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.640 16.198 -3.360 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.357 16.559 -1.803 1.00 0.00 H new ATOM 1780 N GLY B 39 11.553 14.200 -2.689 1.00 0.00 N ATOM 1781 CA GLY B 39 12.942 14.299 -2.293 1.00 0.00 C ATOM 1782 C GLY B 39 13.244 13.485 -1.058 1.00 0.00 C ATOM 1783 O GLY B 39 14.148 13.813 -0.292 1.00 0.00 O ATOM 0 H GLY B 39 11.359 13.476 -3.381 1.00 0.00 H new ATOM 0 HA2 GLY B 39 13.576 13.961 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY B 39 13.191 15.344 -2.107 1.00 0.00 H new ATOM 1787 N GLY B 40 12.487 12.416 -0.864 1.00 0.00 N ATOM 1788 CA GLY B 40 12.651 11.600 0.320 1.00 0.00 C ATOM 1789 C GLY B 40 11.654 11.979 1.390 1.00 0.00 C ATOM 1790 O GLY B 40 11.334 11.177 2.271 1.00 0.00 O ATOM 0 H GLY B 40 11.761 12.099 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY B 40 12.527 10.549 0.060 1.00 0.00 H new ATOM 0 HA3 GLY B 40 13.664 11.715 0.706 1.00 0.00 H new ATOM 1794 N GLU B 41 11.157 13.204 1.304 1.00 0.00 N ATOM 1795 CA GLU B 41 10.149 13.693 2.227 1.00 0.00 C ATOM 1796 C GLU B 41 8.769 13.276 1.741 1.00 0.00 C ATOM 1797 O GLU B 41 8.470 13.367 0.553 1.00 0.00 O ATOM 1798 CB GLU B 41 10.226 15.216 2.340 1.00 0.00 C ATOM 1799 CG GLU B 41 11.609 15.732 2.701 1.00 0.00 C ATOM 1800 CD GLU B 41 12.130 15.155 4.001 1.00 0.00 C ATOM 1801 OE1 GLU B 41 11.693 15.616 5.075 1.00 0.00 O ATOM 1802 OE2 GLU B 41 12.986 14.247 3.957 1.00 0.00 O ATOM 0 H GLU B 41 11.440 13.882 0.596 1.00 0.00 H new ATOM 0 HA GLU B 41 10.330 13.263 3.212 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.919 15.658 1.392 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.514 15.552 3.094 1.00 0.00 H new ATOM 0 HG2 GLU B 41 12.304 15.489 1.897 1.00 0.00 H new ATOM 0 HG3 GLU B 41 11.578 16.819 2.778 1.00 0.00 H new ATOM 1809 N ILE B 42 7.935 12.813 2.653 1.00 0.00 N ATOM 1810 CA ILE B 42 6.612 12.339 2.296 1.00 0.00 C ATOM 1811 C ILE B 42 5.585 13.407 2.626 1.00 0.00 C ATOM 1812 O ILE B 42 5.639 14.000 3.692 1.00 0.00 O ATOM 1813 CB ILE B 42 6.268 11.040 3.049 1.00 0.00 C ATOM 1814 CG1 ILE B 42 7.301 9.959 2.723 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.866 10.570 2.691 1.00 0.00 C ATOM 1816 CD1 ILE B 42 7.109 8.673 3.497 1.00 0.00 C ATOM 0 H ILE B 42 8.151 12.755 3.648 1.00 0.00 H new ATOM 0 HA ILE B 42 6.598 12.129 1.227 1.00 0.00 H new ATOM 0 HB ILE B 42 6.295 11.237 4.121 1.00 0.00 H new ATOM 0 HG12 ILE B 42 7.258 9.739 1.656 1.00 0.00 H new ATOM 0 HG13 ILE B 42 8.298 10.349 2.928 1.00 0.00 H new ATOM 0 HG21 ILE B 42 4.641 9.651 3.233 1.00 0.00 H new ATOM 0 HG22 ILE B 42 4.144 11.339 2.965 1.00 0.00 H new ATOM 0 HG23 ILE B 42 4.808 10.383 1.619 1.00 0.00 H new ATOM 0 HD11 ILE B 42 7.880 7.957 3.210 1.00 0.00 H new ATOM 0 HD12 ILE B 42 7.182 8.877 4.565 1.00 0.00 H new ATOM 0 HD13 ILE B 42 6.126 8.257 3.274 1.00 0.00 H new ATOM 1828 N ILE B 43 4.681 13.682 1.701 1.00 0.00 N ATOM 1829 CA ILE B 43 3.639 14.665 1.940 1.00 0.00 C ATOM 1830 C ILE B 43 2.296 14.133 1.462 1.00 0.00 C ATOM 1831 O ILE B 43 2.154 13.732 0.306 1.00 0.00 O ATOM 1832 CB ILE B 43 3.903 16.019 1.227 1.00 0.00 C ATOM 1833 CG1 ILE B 43 5.374 16.443 1.319 1.00 0.00 C ATOM 1834 CG2 ILE B 43 3.018 17.102 1.823 1.00 0.00 C ATOM 1835 CD1 ILE B 43 6.245 15.850 0.233 1.00 0.00 C ATOM 0 H ILE B 43 4.648 13.241 0.782 1.00 0.00 H new ATOM 0 HA ILE B 43 3.633 14.842 3.015 1.00 0.00 H new ATOM 0 HB ILE B 43 3.663 15.884 0.172 1.00 0.00 H new ATOM 0 HG12 ILE B 43 5.434 17.530 1.268 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.768 16.147 2.291 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.210 18.048 1.317 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.971 16.828 1.695 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.238 17.208 2.885 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.271 16.194 0.362 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.216 14.762 0.297 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.876 16.166 -0.743 1.00 0.00 H new ATOM 1847 N LEU B 44 1.321 14.104 2.355 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.036 13.759 1.973 1.00 0.00 C ATOM 1849 C LEU B 44 -0.584 14.881 1.090 1.00 0.00 C ATOM 1850 O LEU B 44 -0.267 16.052 1.315 1.00 0.00 O ATOM 1851 CB LEU B 44 -0.897 13.559 3.231 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.087 12.600 3.092 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.577 12.168 4.464 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -3.228 13.246 2.322 1.00 0.00 C ATOM 0 H LEU B 44 1.444 14.314 3.345 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.055 12.824 1.413 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.254 13.193 4.032 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -1.276 14.532 3.545 1.00 0.00 H new ATOM 0 HG LEU B 44 -1.747 11.726 2.536 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.421 11.488 4.351 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.771 11.661 4.995 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -2.890 13.045 5.031 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.056 12.542 2.240 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.562 14.140 2.849 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -2.885 13.520 1.324 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.383 14.523 0.087 1.00 0.00 N ATOM 1867 CA ARG B 45 -1.897 15.491 -0.889 1.00 0.00 C ATOM 1868 C ARG B 45 -2.605 16.676 -0.229 1.00 0.00 C ATOM 1869 O ARG B 45 -2.716 17.742 -0.826 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.840 14.799 -1.874 1.00 0.00 C ATOM 1871 CG ARG B 45 -2.128 14.064 -3.001 1.00 0.00 C ATOM 1872 CD ARG B 45 -1.448 15.026 -3.963 1.00 0.00 C ATOM 1873 NE ARG B 45 -2.345 16.089 -4.418 1.00 0.00 N ATOM 1874 CZ ARG B 45 -3.214 15.966 -5.420 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -3.329 14.818 -6.079 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -3.978 16.992 -5.760 1.00 0.00 N ATOM 0 H ARG B 45 -1.692 13.564 -0.074 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.035 15.890 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.462 14.090 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.509 15.544 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.386 13.386 -2.580 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.846 13.452 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.581 15.471 -3.475 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.079 14.472 -4.826 1.00 0.00 H new ATOM 0 HE ARG B 45 -2.302 16.986 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -2.749 14.020 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -3.998 14.734 -6.845 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -3.901 17.875 -5.255 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -4.644 16.900 -6.527 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.064 16.492 1.004 1.00 0.00 N ATOM 1891 CA GLU B 46 -3.738 17.555 1.742 1.00 0.00 C ATOM 1892 C GLU B 46 -2.824 18.771 1.905 1.00 0.00 C ATOM 1893 O GLU B 46 -3.272 19.914 1.841 1.00 0.00 O ATOM 1894 CB GLU B 46 -4.173 17.037 3.116 1.00 0.00 C ATOM 1895 CG GLU B 46 -4.968 18.042 3.932 1.00 0.00 C ATOM 1896 CD GLU B 46 -5.383 17.498 5.282 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -6.329 16.683 5.329 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -4.775 17.893 6.301 1.00 0.00 O ATOM 0 H GLU B 46 -2.981 15.613 1.515 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.618 17.864 1.177 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.774 16.138 2.980 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -3.287 16.746 3.680 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.370 18.942 4.075 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.857 18.335 3.374 1.00 0.00 H new ATOM 1905 N ASN B 47 -1.539 18.515 2.102 1.00 0.00 N ATOM 1906 CA ASN B 47 -0.568 19.584 2.314 1.00 0.00 C ATOM 1907 C ASN B 47 0.311 19.781 1.081 1.00 0.00 C ATOM 1908 O ASN B 47 0.898 20.849 0.889 1.00 0.00 O ATOM 1909 CB ASN B 47 0.300 19.256 3.534 1.00 0.00 C ATOM 1910 CG ASN B 47 1.387 20.284 3.800 1.00 0.00 C ATOM 1911 OD1 ASN B 47 2.505 20.166 3.301 1.00 0.00 O ATOM 1912 ND2 ASN B 47 1.067 21.297 4.592 1.00 0.00 N ATOM 0 H ASN B 47 -1.142 17.576 2.120 1.00 0.00 H new ATOM 0 HA ASN B 47 -1.110 20.513 2.492 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -0.339 19.179 4.414 1.00 0.00 H new ATOM 0 HB3 ASN B 47 0.762 18.280 3.389 1.00 0.00 H new ATOM 0 HD21 ASN B 47 1.759 22.015 4.807 1.00 0.00 H new ATOM 0 HD22 ASN B 47 0.128 21.359 4.986 1.00 0.00 H new ATOM 1919 N LEU B 48 0.364 18.759 0.228 1.00 0.00 N ATOM 1920 CA LEU B 48 1.289 18.737 -0.901 1.00 0.00 C ATOM 1921 C LEU B 48 1.132 19.955 -1.803 1.00 0.00 C ATOM 1922 O LEU B 48 2.123 20.527 -2.239 1.00 0.00 O ATOM 1923 CB LEU B 48 1.114 17.471 -1.737 1.00 0.00 C ATOM 1924 CG LEU B 48 2.132 17.328 -2.868 1.00 0.00 C ATOM 1925 CD1 LEU B 48 3.501 16.959 -2.319 1.00 0.00 C ATOM 1926 CD2 LEU B 48 1.668 16.313 -3.889 1.00 0.00 C ATOM 0 H LEU B 48 -0.227 17.931 0.300 1.00 0.00 H new ATOM 0 HA LEU B 48 2.290 18.754 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU B 48 1.189 16.602 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU B 48 0.110 17.464 -2.162 1.00 0.00 H new ATOM 0 HG LEU B 48 2.217 18.292 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU B 48 4.209 16.863 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.841 17.738 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU B 48 3.435 16.012 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU B 48 2.410 16.230 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU B 48 1.542 15.343 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.716 16.633 -4.314 1.00 0.00 H new ATOM 1938 N GLU B 49 -0.103 20.353 -2.083 1.00 0.00 N ATOM 1939 CA GLU B 49 -0.352 21.493 -2.962 1.00 0.00 C ATOM 1940 C GLU B 49 0.325 22.764 -2.447 1.00 0.00 C ATOM 1941 O GLU B 49 0.777 23.597 -3.228 1.00 0.00 O ATOM 1942 CB GLU B 49 -1.855 21.729 -3.154 1.00 0.00 C ATOM 1943 CG GLU B 49 -2.467 20.928 -4.298 1.00 0.00 C ATOM 1944 CD GLU B 49 -2.711 19.466 -3.968 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -1.743 18.730 -3.698 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -3.883 19.038 -4.010 1.00 0.00 O ATOM 0 H GLU B 49 -0.945 19.907 -1.717 1.00 0.00 H new ATOM 0 HA GLU B 49 0.085 21.249 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.373 21.476 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.026 22.790 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.413 21.388 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.808 20.989 -5.164 1.00 0.00 H new ATOM 1953 N ARG B 50 0.409 22.911 -1.132 1.00 0.00 N ATOM 1954 CA ARG B 50 1.071 24.068 -0.536 1.00 0.00 C ATOM 1955 C ARG B 50 2.581 23.871 -0.539 1.00 0.00 C ATOM 1956 O ARG B 50 3.346 24.792 -0.834 1.00 0.00 O ATOM 1957 CB ARG B 50 0.572 24.302 0.892 1.00 0.00 C ATOM 1958 CG ARG B 50 -0.681 25.170 0.997 1.00 0.00 C ATOM 1959 CD ARG B 50 -1.876 24.592 0.248 1.00 0.00 C ATOM 1960 NE ARG B 50 -1.842 24.891 -1.188 1.00 0.00 N ATOM 1961 CZ ARG B 50 -2.903 25.302 -1.886 1.00 0.00 C ATOM 1962 NH1 ARG B 50 -4.077 25.473 -1.285 1.00 0.00 N ATOM 1963 NH2 ARG B 50 -2.798 25.540 -3.190 1.00 0.00 N ATOM 0 H ARG B 50 0.029 22.247 -0.458 1.00 0.00 H new ATOM 0 HA ARG B 50 0.828 24.947 -1.134 1.00 0.00 H new ATOM 0 HB2 ARG B 50 0.368 23.336 1.354 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.370 24.769 1.469 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -0.944 25.292 2.048 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -0.461 26.163 0.606 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -1.900 23.512 0.390 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -2.796 24.991 0.676 1.00 0.00 H new ATOM 0 HE ARG B 50 -0.956 24.778 -1.681 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -4.170 25.290 -0.286 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -4.884 25.787 -1.823 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.903 25.409 -3.662 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.612 25.854 -3.718 1.00 0.00 H new ATOM 1977 N TYR B 51 2.991 22.650 -0.226 1.00 0.00 N ATOM 1978 CA TYR B 51 4.398 22.267 -0.216 1.00 0.00 C ATOM 1979 C TYR B 51 5.033 22.504 -1.589 1.00 0.00 C ATOM 1980 O TYR B 51 6.132 23.052 -1.693 1.00 0.00 O ATOM 1981 CB TYR B 51 4.502 20.793 0.193 1.00 0.00 C ATOM 1982 CG TYR B 51 5.895 20.204 0.148 1.00 0.00 C ATOM 1983 CD1 TYR B 51 6.769 20.340 1.220 1.00 0.00 C ATOM 1984 CD2 TYR B 51 6.323 19.490 -0.962 1.00 0.00 C ATOM 1985 CE1 TYR B 51 8.033 19.780 1.182 1.00 0.00 C ATOM 1986 CE2 TYR B 51 7.582 18.933 -1.006 1.00 0.00 C ATOM 1987 CZ TYR B 51 8.433 19.077 0.065 1.00 0.00 C ATOM 1988 OH TYR B 51 9.684 18.512 0.020 1.00 0.00 O ATOM 0 H TYR B 51 2.356 21.894 0.029 1.00 0.00 H new ATOM 0 HA TYR B 51 4.942 22.880 0.502 1.00 0.00 H new ATOM 0 HB2 TYR B 51 4.113 20.686 1.206 1.00 0.00 H new ATOM 0 HB3 TYR B 51 3.856 20.206 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR B 51 6.457 20.891 2.095 1.00 0.00 H new ATOM 0 HD2 TYR B 51 5.659 19.369 -1.805 1.00 0.00 H new ATOM 0 HE1 TYR B 51 8.703 19.893 2.022 1.00 0.00 H new ATOM 0 HE2 TYR B 51 7.900 18.384 -1.880 1.00 0.00 H new ATOM 0 HH TYR B 51 9.932 18.341 -0.912 1.00 0.00 H new ATOM 1998 N LEU B 52 4.321 22.114 -2.636 1.00 0.00 N ATOM 1999 CA LEU B 52 4.811 22.268 -3.998 1.00 0.00 C ATOM 2000 C LEU B 52 4.757 23.723 -4.440 1.00 0.00 C ATOM 2001 O LEU B 52 5.662 24.197 -5.112 1.00 0.00 O ATOM 2002 CB LEU B 52 4.000 21.407 -4.972 1.00 0.00 C ATOM 2003 CG LEU B 52 4.090 19.897 -4.751 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.248 19.161 -5.784 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.539 19.430 -4.810 1.00 0.00 C ATOM 0 H LEU B 52 3.397 21.686 -2.568 1.00 0.00 H new ATOM 0 HA LEU B 52 5.849 21.936 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU B 52 2.953 21.704 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.331 21.628 -5.987 1.00 0.00 H new ATOM 0 HG LEU B 52 3.700 19.669 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU B 52 3.321 18.087 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.207 19.472 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU B 52 3.612 19.396 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.581 18.353 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU B 52 5.959 19.669 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.116 19.934 -4.035 1.00 0.00 H new ATOM 2017 N ARG B 53 3.700 24.427 -4.050 1.00 0.00 N ATOM 2018 CA ARG B 53 3.507 25.808 -4.481 1.00 0.00 C ATOM 2019 C ARG B 53 4.694 26.680 -4.076 1.00 0.00 C ATOM 2020 O ARG B 53 5.122 27.551 -4.834 1.00 0.00 O ATOM 2021 CB ARG B 53 2.219 26.387 -3.891 1.00 0.00 C ATOM 2022 CG ARG B 53 1.754 27.652 -4.596 1.00 0.00 C ATOM 2023 CD ARG B 53 0.555 28.283 -3.905 1.00 0.00 C ATOM 2024 NE ARG B 53 0.909 28.865 -2.612 1.00 0.00 N ATOM 2025 CZ ARG B 53 1.427 30.083 -2.468 1.00 0.00 C ATOM 2026 NH1 ARG B 53 1.665 30.840 -3.532 1.00 0.00 N ATOM 2027 NH2 ARG B 53 1.705 30.547 -1.259 1.00 0.00 N ATOM 0 H ARG B 53 2.967 24.067 -3.439 1.00 0.00 H new ATOM 0 HA ARG B 53 3.429 25.805 -5.568 1.00 0.00 H new ATOM 0 HB2 ARG B 53 1.431 25.636 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG B 53 2.376 26.604 -2.835 1.00 0.00 H new ATOM 0 HG2 ARG B 53 2.573 28.371 -4.628 1.00 0.00 H new ATOM 0 HG3 ARG B 53 1.495 27.417 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG B 53 0.133 29.056 -4.547 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -0.219 27.529 -3.763 1.00 0.00 H new ATOM 0 HE ARG B 53 0.750 28.307 -1.773 1.00 0.00 H new ATOM 0 HH11 ARG B 53 1.451 30.489 -4.466 1.00 0.00 H new ATOM 0 HH12 ARG B 53 2.062 31.772 -3.416 1.00 0.00 H new ATOM 0 HH21 ARG B 53 1.522 29.971 -0.437 1.00 0.00 H new ATOM 0 HH22 ARG B 53 2.102 31.480 -1.150 1.00 0.00 H new ATOM 2041 N GLU B 54 5.224 26.439 -2.882 1.00 0.00 N ATOM 2042 CA GLU B 54 6.358 27.212 -2.395 1.00 0.00 C ATOM 2043 C GLU B 54 7.682 26.662 -2.927 1.00 0.00 C ATOM 2044 O GLU B 54 8.551 27.423 -3.358 1.00 0.00 O ATOM 2045 CB GLU B 54 6.394 27.227 -0.867 1.00 0.00 C ATOM 2046 CG GLU B 54 5.152 27.818 -0.218 1.00 0.00 C ATOM 2047 CD GLU B 54 5.309 27.974 1.281 1.00 0.00 C ATOM 2048 OE1 GLU B 54 5.990 27.128 1.905 1.00 0.00 O ATOM 2049 OE2 GLU B 54 4.754 28.943 1.844 1.00 0.00 O ATOM 0 H GLU B 54 4.890 25.721 -2.239 1.00 0.00 H new ATOM 0 HA GLU B 54 6.230 28.230 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU B 54 6.527 26.206 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU B 54 7.265 27.795 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.939 28.790 -0.663 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.295 27.178 -0.427 1.00 0.00 H new ATOM 2056 N GLN B 55 7.837 25.340 -2.905 1.00 0.00 N ATOM 2057 CA GLN B 55 9.127 24.741 -3.220 1.00 0.00 C ATOM 2058 C GLN B 55 9.193 24.226 -4.655 1.00 0.00 C ATOM 2059 O GLN B 55 9.911 24.801 -5.476 1.00 0.00 O ATOM 2060 CB GLN B 55 9.402 23.605 -2.228 1.00 0.00 C ATOM 2061 CG GLN B 55 10.634 22.772 -2.539 1.00 0.00 C ATOM 2062 CD GLN B 55 11.043 21.926 -1.355 1.00 0.00 C ATOM 2063 OE1 GLN B 55 10.211 21.560 -0.526 1.00 0.00 O ATOM 2064 NE2 GLN B 55 12.321 21.617 -1.263 1.00 0.00 N ATOM 0 H GLN B 55 7.098 24.675 -2.676 1.00 0.00 H new ATOM 0 HA GLN B 55 9.893 25.512 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN B 55 9.511 24.031 -1.231 1.00 0.00 H new ATOM 0 HB3 GLN B 55 8.533 22.947 -2.201 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.433 22.128 -3.395 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.457 23.429 -2.820 1.00 0.00 H new ATOM 0 HE21 GLN B 55 12.977 21.942 -1.974 1.00 0.00 H new ATOM 0 HE22 GLN B 55 12.654 21.053 -0.481 1.00 0.00 H new ATOM 2073 N LEU B 56 8.413 23.187 -4.966 1.00 0.00 N ATOM 2074 CA LEU B 56 8.405 22.574 -6.304 1.00 0.00 C ATOM 2075 C LEU B 56 9.829 22.310 -6.816 1.00 0.00 C ATOM 2076 O LEU B 56 10.071 22.309 -8.023 1.00 0.00 O ATOM 2077 CB LEU B 56 7.666 23.483 -7.294 1.00 0.00 C ATOM 2078 CG LEU B 56 6.517 22.823 -8.064 1.00 0.00 C ATOM 2079 CD1 LEU B 56 5.819 23.842 -8.949 1.00 0.00 C ATOM 2080 CD2 LEU B 56 7.024 21.654 -8.899 1.00 0.00 C ATOM 0 H LEU B 56 7.772 22.747 -4.305 1.00 0.00 H new ATOM 0 HA LEU B 56 7.890 21.617 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.270 24.339 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.388 23.870 -8.014 1.00 0.00 H new ATOM 0 HG LEU B 56 5.799 22.438 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU B 56 5.005 23.358 -9.489 1.00 0.00 H new ATOM 0 HD12 LEU B 56 5.417 24.645 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU B 56 6.533 24.255 -9.662 1.00 0.00 H new ATOM 0 HD21 LEU B 56 6.190 21.202 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU B 56 7.765 22.012 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU B 56 7.480 20.911 -8.245 1.00 0.00 H new ATOM 2092 N GLY B 57 10.760 22.059 -5.903 1.00 0.00 N ATOM 2093 CA GLY B 57 12.155 21.986 -6.284 1.00 0.00 C ATOM 2094 C GLY B 57 12.828 20.696 -5.872 1.00 0.00 C ATOM 2095 O GLY B 57 14.055 20.620 -5.867 1.00 0.00 O ATOM 0 H GLY B 57 10.574 21.906 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY B 57 12.234 22.098 -7.365 1.00 0.00 H new ATOM 0 HA3 GLY B 57 12.690 22.824 -5.837 1.00 0.00 H new ATOM 2099 N PHE B 58 12.032 19.691 -5.515 1.00 0.00 N ATOM 2100 CA PHE B 58 12.556 18.369 -5.160 1.00 0.00 C ATOM 2101 C PHE B 58 13.556 18.495 -4.017 1.00 0.00 C ATOM 2102 O PHE B 58 13.497 19.438 -3.221 1.00 0.00 O ATOM 2103 CB PHE B 58 13.258 17.712 -6.360 1.00 0.00 C ATOM 2104 CG PHE B 58 12.534 17.828 -7.674 1.00 0.00 C ATOM 2105 CD1 PHE B 58 11.164 18.028 -7.728 1.00 0.00 C ATOM 2106 CD2 PHE B 58 13.239 17.740 -8.862 1.00 0.00 C ATOM 2107 CE1 PHE B 58 10.516 18.134 -8.941 1.00 0.00 C ATOM 2108 CE2 PHE B 58 12.594 17.843 -10.077 1.00 0.00 C ATOM 2109 CZ PHE B 58 11.231 18.041 -10.117 1.00 0.00 C ATOM 0 H PHE B 58 11.016 19.765 -5.463 1.00 0.00 H new ATOM 0 HA PHE B 58 11.714 17.747 -4.856 1.00 0.00 H new ATOM 0 HB2 PHE B 58 14.247 18.157 -6.469 1.00 0.00 H new ATOM 0 HB3 PHE B 58 13.407 16.655 -6.138 1.00 0.00 H new ATOM 0 HD1 PHE B 58 10.598 18.102 -6.811 1.00 0.00 H new ATOM 0 HD2 PHE B 58 14.308 17.589 -8.837 1.00 0.00 H new ATOM 0 HE1 PHE B 58 9.448 18.290 -8.970 1.00 0.00 H new ATOM 0 HE2 PHE B 58 13.157 17.769 -10.996 1.00 0.00 H new ATOM 0 HZ PHE B 58 10.724 18.123 -11.067 1.00 0.00 H new ATOM 2119 N GLU B 59 14.487 17.557 -3.942 1.00 0.00 N ATOM 2120 CA GLU B 59 15.579 17.684 -2.997 1.00 0.00 C ATOM 2121 C GLU B 59 16.912 17.755 -3.729 1.00 0.00 C ATOM 2122 O GLU B 59 17.441 16.742 -4.200 1.00 0.00 O ATOM 2123 CB GLU B 59 15.584 16.541 -1.981 1.00 0.00 C ATOM 2124 CG GLU B 59 16.768 16.582 -1.019 1.00 0.00 C ATOM 2125 CD GLU B 59 16.838 17.851 -0.175 1.00 0.00 C ATOM 2126 OE1 GLU B 59 16.500 18.940 -0.680 1.00 0.00 O ATOM 2127 OE2 GLU B 59 17.249 17.763 0.999 1.00 0.00 O ATOM 0 H GLU B 59 14.508 16.713 -4.515 1.00 0.00 H new ATOM 0 HA GLU B 59 15.431 18.612 -2.445 1.00 0.00 H new ATOM 0 HB2 GLU B 59 14.659 16.573 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU B 59 15.594 15.591 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU B 59 16.714 15.719 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU B 59 17.691 16.487 -1.591 1.00 0.00 H new ATOM 2134 N PHE B 60 17.438 18.964 -3.833 1.00 0.00 N ATOM 2135 CA PHE B 60 18.747 19.185 -4.416 1.00 0.00 C ATOM 2136 C PHE B 60 19.823 18.959 -3.367 1.00 0.00 C ATOM 2137 O PHE B 60 20.048 19.812 -2.505 1.00 0.00 O ATOM 2138 CB PHE B 60 18.886 20.610 -4.970 1.00 0.00 C ATOM 2139 CG PHE B 60 18.141 20.873 -6.250 1.00 0.00 C ATOM 2140 CD1 PHE B 60 18.627 20.400 -7.457 1.00 0.00 C ATOM 2141 CD2 PHE B 60 16.972 21.615 -6.249 1.00 0.00 C ATOM 2142 CE1 PHE B 60 17.959 20.657 -8.639 1.00 0.00 C ATOM 2143 CE2 PHE B 60 16.299 21.873 -7.428 1.00 0.00 C ATOM 2144 CZ PHE B 60 16.793 21.394 -8.623 1.00 0.00 C ATOM 0 H PHE B 60 16.971 19.814 -3.517 1.00 0.00 H new ATOM 0 HA PHE B 60 18.864 18.480 -5.239 1.00 0.00 H new ATOM 0 HB2 PHE B 60 18.537 21.313 -4.214 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.943 20.818 -5.134 1.00 0.00 H new ATOM 0 HD1 PHE B 60 19.540 19.823 -7.475 1.00 0.00 H new ATOM 0 HD2 PHE B 60 16.582 21.996 -5.317 1.00 0.00 H new ATOM 0 HE1 PHE B 60 18.349 20.282 -9.574 1.00 0.00 H new ATOM 0 HE2 PHE B 60 15.386 22.450 -7.414 1.00 0.00 H new ATOM 0 HZ PHE B 60 16.268 21.596 -9.545 1.00 0.00 H new ATOM 2154 N LYS B 61 20.456 17.800 -3.408 1.00 0.00 N ATOM 2155 CA LYS B 61 21.620 17.559 -2.573 1.00 0.00 C ATOM 2156 C LYS B 61 22.847 18.093 -3.294 1.00 0.00 C ATOM 2157 O LYS B 61 22.725 18.699 -4.358 1.00 0.00 O ATOM 2158 CB LYS B 61 21.784 16.070 -2.258 1.00 0.00 C ATOM 2159 CG LYS B 61 20.625 15.459 -1.478 1.00 0.00 C ATOM 2160 CD LYS B 61 20.420 16.133 -0.126 1.00 0.00 C ATOM 2161 CE LYS B 61 19.462 15.337 0.751 1.00 0.00 C ATOM 2162 NZ LYS B 61 19.037 16.098 1.958 1.00 0.00 N ATOM 0 H LYS B 61 20.187 17.017 -4.004 1.00 0.00 H new ATOM 0 HA LYS B 61 21.492 18.073 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS B 61 21.904 15.524 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.703 15.931 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS B 61 19.711 15.542 -2.065 1.00 0.00 H new ATOM 0 HG3 LYS B 61 20.812 14.396 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS B 61 21.380 16.236 0.381 1.00 0.00 H new ATOM 0 HD3 LYS B 61 20.029 17.139 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS B 61 18.582 15.063 0.169 1.00 0.00 H new ATOM 0 HE3 LYS B 61 19.942 14.408 1.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 18.469 15.482 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 19.877 16.426 2.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 18.467 16.918 1.668 1.00 0.00 H new ATOM 2176 N ASN B 62 24.021 17.882 -2.729 1.00 0.00 N ATOM 2177 CA ASN B 62 25.243 18.402 -3.323 1.00 0.00 C ATOM 2178 C ASN B 62 26.465 17.750 -2.702 1.00 0.00 C ATOM 2179 O ASN B 62 26.366 17.073 -1.678 1.00 0.00 O ATOM 2180 CB ASN B 62 25.318 19.929 -3.167 1.00 0.00 C ATOM 2181 CG ASN B 62 25.167 20.392 -1.728 1.00 0.00 C ATOM 2182 OD1 ASN B 62 26.144 20.502 -0.992 1.00 0.00 O ATOM 2183 ND2 ASN B 62 23.938 20.682 -1.322 1.00 0.00 N ATOM 0 H ASN B 62 24.157 17.358 -1.865 1.00 0.00 H new ATOM 0 HA ASN B 62 25.227 18.163 -4.386 1.00 0.00 H new ATOM 0 HB2 ASN B 62 26.273 20.281 -3.557 1.00 0.00 H new ATOM 0 HB3 ASN B 62 24.537 20.388 -3.773 1.00 0.00 H new ATOM 0 HD21 ASN B 62 23.780 21.009 -0.369 1.00 0.00 H new ATOM 0 HD22 ASN B 62 23.151 20.578 -1.963 1.00 0.00 H new ATOM 2190 N ALA B 63 27.615 17.963 -3.329 1.00 0.00 N ATOM 2191 CA ALA B 63 28.875 17.410 -2.843 1.00 0.00 C ATOM 2192 C ALA B 63 29.499 18.323 -1.793 1.00 0.00 C ATOM 2193 O ALA B 63 30.656 18.141 -1.406 1.00 0.00 O ATOM 2194 CB ALA B 63 29.836 17.203 -4.001 1.00 0.00 C ATOM 0 H ALA B 63 27.702 18.518 -4.180 1.00 0.00 H new ATOM 0 HA ALA B 63 28.671 16.446 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA B 63 30.773 16.790 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA B 63 29.396 16.512 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA B 63 30.030 18.159 -4.488 1.00 0.00 H new ATOM 2200 N GLN B 64 28.712 19.296 -1.341 1.00 0.00 N ATOM 2201 CA GLN B 64 29.123 20.264 -0.329 1.00 0.00 C ATOM 2202 C GLN B 64 30.163 21.235 -0.876 1.00 0.00 C ATOM 2203 O GLN B 64 29.820 22.341 -1.299 1.00 0.00 O ATOM 2204 CB GLN B 64 29.654 19.567 0.928 1.00 0.00 C ATOM 2205 CG GLN B 64 28.650 18.628 1.574 1.00 0.00 C ATOM 2206 CD GLN B 64 29.240 17.885 2.752 1.00 0.00 C ATOM 2207 OE1 GLN B 64 29.162 18.343 3.893 1.00 0.00 O ATOM 2208 NE2 GLN B 64 29.842 16.736 2.484 1.00 0.00 N ATOM 0 H GLN B 64 27.758 19.436 -1.672 1.00 0.00 H new ATOM 0 HA GLN B 64 28.236 20.835 -0.054 1.00 0.00 H new ATOM 0 HB2 GLN B 64 30.551 19.004 0.669 1.00 0.00 H new ATOM 0 HB3 GLN B 64 29.951 20.323 1.655 1.00 0.00 H new ATOM 0 HG2 GLN B 64 27.782 19.198 1.904 1.00 0.00 H new ATOM 0 HG3 GLN B 64 28.297 17.910 0.833 1.00 0.00 H new ATOM 0 HE21 GLN B 64 29.883 16.394 1.524 1.00 0.00 H new ATOM 0 HE22 GLN B 64 30.264 16.193 3.238 1.00 0.00 H new ATOM 2217 N LEU B 65 31.421 20.799 -0.899 1.00 0.00 N ATOM 2218 CA LEU B 65 32.547 21.672 -1.220 1.00 0.00 C ATOM 2219 C LEU B 65 32.455 22.963 -0.416 1.00 0.00 C ATOM 2220 O LEU B 65 32.173 24.037 -0.956 1.00 0.00 O ATOM 2221 CB LEU B 65 32.630 21.980 -2.723 1.00 0.00 C ATOM 2222 CG LEU B 65 33.377 20.948 -3.576 1.00 0.00 C ATOM 2223 CD1 LEU B 65 32.634 19.625 -3.615 1.00 0.00 C ATOM 2224 CD2 LEU B 65 33.589 21.483 -4.983 1.00 0.00 C ATOM 0 H LEU B 65 31.687 19.835 -0.697 1.00 0.00 H new ATOM 0 HA LEU B 65 33.461 21.143 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU B 65 31.616 22.078 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU B 65 33.115 22.948 -2.850 1.00 0.00 H new ATOM 0 HG LEU B 65 34.350 20.770 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU B 65 33.189 18.914 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU B 65 32.536 19.233 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU B 65 31.643 19.777 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU B 65 34.120 20.741 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU B 65 32.623 21.692 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU B 65 34.176 22.400 -4.939 1.00 0.00 H new