USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 448 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 Single : A 581 SER OG : rot 19:sc= 0.429 USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 597 THR OG1 : rot -82:sc= 0.94 USER MOD Single : A 604 LYS NZ :NH3+ -128:sc= -0.489 (180deg=-2.3!) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ 148:sc= 0.0479 (180deg=-0.0618) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-0.86) USER MOD Single : A 629 THR OG1 : rot 81:sc= 1.03 USER MOD Single : A 631 SER OG : rot 70:sc= 1.17 USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-2.6) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 93:sc= 0.916 USER MOD Single : A 659 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.542 9.868 -1.477 1.00 43.23 N ATOM 322 CA SER A 581 0.866 10.173 -2.733 1.00 1.24 C ATOM 323 C SER A 581 0.428 8.894 -3.439 1.00 22.34 C ATOM 324 O SER A 581 0.951 7.812 -3.170 1.00 42.12 O ATOM 325 CB SER A 581 1.788 10.983 -3.647 1.00 54.44 C ATOM 326 OG SER A 581 2.580 11.889 -2.899 1.00 70.21 O ATOM 0 HA SER A 581 -0.022 10.764 -2.506 1.00 1.24 H new ATOM 0 HB2 SER A 581 2.434 10.308 -4.208 1.00 54.44 H new ATOM 0 HB3 SER A 581 1.192 11.532 -4.376 1.00 54.44 H new ATOM 0 HG SER A 581 2.593 11.613 -1.959 1.00 70.21 H new ATOM 331 N VAL A 582 -0.536 9.026 -4.345 1.00 64.34 N ATOM 332 CA VAL A 582 -1.045 7.881 -5.091 1.00 13.21 C ATOM 333 C VAL A 582 0.086 7.129 -5.783 1.00 24.21 C ATOM 334 O VAL A 582 0.014 5.915 -5.971 1.00 64.44 O ATOM 335 CB VAL A 582 -2.079 8.316 -6.148 1.00 22.12 C ATOM 336 CG1 VAL A 582 -2.603 7.109 -6.910 1.00 44.21 C ATOM 337 CG2 VAL A 582 -3.220 9.080 -5.493 1.00 64.11 C ATOM 0 H VAL A 582 -0.980 9.914 -4.580 1.00 64.34 H new ATOM 0 HA VAL A 582 -1.528 7.222 -4.370 1.00 13.21 H new ATOM 0 HB VAL A 582 -1.589 8.980 -6.860 1.00 22.12 H new ATOM 0 HG11 VAL A 582 -3.332 7.435 -7.652 1.00 44.21 H new ATOM 0 HG12 VAL A 582 -1.775 6.607 -7.411 1.00 44.21 H new ATOM 0 HG13 VAL A 582 -3.078 6.418 -6.214 1.00 44.21 H new ATOM 0 HG21 VAL A 582 -3.941 9.380 -6.254 1.00 64.11 H new ATOM 0 HG22 VAL A 582 -3.711 8.441 -4.759 1.00 64.11 H new ATOM 0 HG23 VAL A 582 -2.826 9.967 -4.997 1.00 64.11 H new ATOM 347 N ALA A 583 1.131 7.859 -6.161 1.00 70.14 N ATOM 348 CA ALA A 583 2.279 7.260 -6.830 1.00 65.32 C ATOM 349 C ALA A 583 3.044 6.337 -5.887 1.00 60.13 C ATOM 350 O ALA A 583 3.380 5.210 -6.246 1.00 5.12 O ATOM 351 CB ALA A 583 3.199 8.344 -7.371 1.00 23.25 C ATOM 0 H ALA A 583 1.206 8.866 -6.015 1.00 70.14 H new ATOM 0 HA ALA A 583 1.911 6.661 -7.663 1.00 65.32 H new ATOM 0 HB1 ALA A 583 4.052 7.882 -7.868 1.00 23.25 H new ATOM 0 HB2 ALA A 583 2.654 8.961 -8.085 1.00 23.25 H new ATOM 0 HB3 ALA A 583 3.551 8.966 -6.548 1.00 23.25 H new ATOM 357 N GLU A 584 3.315 6.824 -4.680 1.00 41.13 N ATOM 358 CA GLU A 584 4.041 6.042 -3.687 1.00 21.31 C ATOM 359 C GLU A 584 3.170 4.915 -3.138 1.00 21.42 C ATOM 360 O GLU A 584 3.636 3.790 -2.951 1.00 73.35 O ATOM 361 CB GLU A 584 4.512 6.941 -2.542 1.00 21.12 C ATOM 362 CG GLU A 584 5.365 8.112 -2.999 1.00 64.10 C ATOM 363 CD GLU A 584 6.840 7.905 -2.716 1.00 32.24 C ATOM 364 OE1 GLU A 584 7.168 7.342 -1.651 1.00 43.22 O ATOM 365 OE2 GLU A 584 7.668 8.306 -3.562 1.00 51.35 O ATOM 0 H GLU A 584 3.043 7.756 -4.367 1.00 41.13 H new ATOM 0 HA GLU A 584 4.910 5.601 -4.175 1.00 21.31 H new ATOM 0 HB2 GLU A 584 3.641 7.323 -2.009 1.00 21.12 H new ATOM 0 HB3 GLU A 584 5.082 6.342 -1.832 1.00 21.12 H new ATOM 0 HG2 GLU A 584 5.222 8.265 -4.069 1.00 64.10 H new ATOM 0 HG3 GLU A 584 5.027 9.020 -2.499 1.00 64.10 H new ATOM 370 N VAL A 585 1.904 5.226 -2.881 1.00 11.22 N ATOM 371 CA VAL A 585 0.967 4.241 -2.355 1.00 42.10 C ATOM 372 C VAL A 585 0.818 3.059 -3.307 1.00 74.13 C ATOM 373 O VAL A 585 0.666 1.918 -2.875 1.00 24.54 O ATOM 374 CB VAL A 585 -0.421 4.863 -2.105 1.00 25.05 C ATOM 375 CG1 VAL A 585 -1.394 3.810 -1.599 1.00 61.45 C ATOM 376 CG2 VAL A 585 -0.316 6.020 -1.125 1.00 54.22 C ATOM 0 H VAL A 585 1.504 6.152 -3.029 1.00 11.22 H new ATOM 0 HA VAL A 585 1.376 3.891 -1.407 1.00 42.10 H new ATOM 0 HB VAL A 585 -0.803 5.251 -3.049 1.00 25.05 H new ATOM 0 HG11 VAL A 585 -2.369 4.267 -1.428 1.00 61.45 H new ATOM 0 HG12 VAL A 585 -1.490 3.017 -2.341 1.00 61.45 H new ATOM 0 HG13 VAL A 585 -1.022 3.389 -0.665 1.00 61.45 H new ATOM 0 HG21 VAL A 585 -1.305 6.448 -0.960 1.00 54.22 H new ATOM 0 HG22 VAL A 585 0.086 5.660 -0.178 1.00 54.22 H new ATOM 0 HG23 VAL A 585 0.346 6.784 -1.533 1.00 54.22 H new ATOM 386 N GLU A 586 0.864 3.343 -4.605 1.00 1.31 N ATOM 387 CA GLU A 586 0.733 2.303 -5.618 1.00 35.14 C ATOM 388 C GLU A 586 1.847 1.268 -5.482 1.00 41.20 C ATOM 389 O GLU A 586 1.593 0.064 -5.475 1.00 50.45 O ATOM 390 CB GLU A 586 0.763 2.918 -7.019 1.00 31.32 C ATOM 391 CG GLU A 586 -0.591 3.418 -7.493 1.00 14.11 C ATOM 392 CD GLU A 586 -0.477 4.508 -8.541 1.00 32.14 C ATOM 393 OE1 GLU A 586 0.661 4.933 -8.833 1.00 24.12 O ATOM 394 OE2 GLU A 586 -1.524 4.936 -9.069 1.00 1.42 O ATOM 0 H GLU A 586 0.991 4.283 -4.979 1.00 1.31 H new ATOM 0 HA GLU A 586 -0.224 1.804 -5.468 1.00 35.14 H new ATOM 0 HB2 GLU A 586 1.470 3.747 -7.028 1.00 31.32 H new ATOM 0 HB3 GLU A 586 1.134 2.175 -7.725 1.00 31.32 H new ATOM 0 HG2 GLU A 586 -1.159 2.583 -7.903 1.00 14.11 H new ATOM 0 HG3 GLU A 586 -1.153 3.797 -6.640 1.00 14.11 H new ATOM 399 N ALA A 587 3.082 1.747 -5.375 1.00 62.23 N ATOM 400 CA ALA A 587 4.234 0.865 -5.238 1.00 61.40 C ATOM 401 C ALA A 587 4.120 0.003 -3.984 1.00 42.54 C ATOM 402 O ALA A 587 4.576 -1.140 -3.961 1.00 21.52 O ATOM 403 CB ALA A 587 5.520 1.677 -5.205 1.00 54.32 C ATOM 0 H ALA A 587 3.310 2.741 -5.381 1.00 62.23 H new ATOM 0 HA ALA A 587 4.257 0.202 -6.103 1.00 61.40 H new ATOM 0 HB1 ALA A 587 6.372 1.005 -5.102 1.00 54.32 H new ATOM 0 HB2 ALA A 587 5.615 2.245 -6.130 1.00 54.32 H new ATOM 0 HB3 ALA A 587 5.495 2.363 -4.359 1.00 54.32 H new ATOM 409 N LEU A 588 3.507 0.559 -2.945 1.00 62.52 N ATOM 410 CA LEU A 588 3.333 -0.159 -1.686 1.00 41.12 C ATOM 411 C LEU A 588 2.323 -1.292 -1.841 1.00 34.23 C ATOM 412 O LEU A 588 2.586 -2.430 -1.450 1.00 51.34 O ATOM 413 CB LEU A 588 2.874 0.801 -0.587 1.00 14.35 C ATOM 414 CG LEU A 588 2.878 0.243 0.836 1.00 64.12 C ATOM 415 CD1 LEU A 588 1.698 -0.694 1.044 1.00 25.01 C ATOM 416 CD2 LEU A 588 4.188 -0.474 1.124 1.00 61.52 C ATOM 0 H LEU A 588 3.122 1.504 -2.949 1.00 62.52 H new ATOM 0 HA LEU A 588 4.295 -0.589 -1.406 1.00 41.12 H new ATOM 0 HB2 LEU A 588 3.514 1.683 -0.612 1.00 14.35 H new ATOM 0 HB3 LEU A 588 1.863 1.134 -0.822 1.00 14.35 H new ATOM 0 HG LEU A 588 2.782 1.075 1.533 1.00 64.12 H new ATOM 0 HD11 LEU A 588 1.717 -1.082 2.062 1.00 25.01 H new ATOM 0 HD12 LEU A 588 0.768 -0.150 0.880 1.00 25.01 H new ATOM 0 HD13 LEU A 588 1.763 -1.523 0.339 1.00 25.01 H new ATOM 0 HD21 LEU A 588 4.173 -0.865 2.141 1.00 61.52 H new ATOM 0 HD22 LEU A 588 4.314 -1.297 0.421 1.00 61.52 H new ATOM 0 HD23 LEU A 588 5.017 0.225 1.016 1.00 61.52 H new ATOM 427 N VAL A 589 1.169 -0.974 -2.417 1.00 53.33 N ATOM 428 CA VAL A 589 0.120 -1.965 -2.628 1.00 22.44 C ATOM 429 C VAL A 589 0.605 -3.095 -3.529 1.00 33.33 C ATOM 430 O VAL A 589 0.578 -4.263 -3.143 1.00 10.34 O ATOM 431 CB VAL A 589 -1.137 -1.329 -3.251 1.00 22.34 C ATOM 432 CG1 VAL A 589 -2.292 -2.319 -3.252 1.00 62.21 C ATOM 433 CG2 VAL A 589 -1.514 -0.057 -2.508 1.00 63.33 C ATOM 0 H VAL A 589 0.936 -0.037 -2.746 1.00 53.33 H new ATOM 0 HA VAL A 589 -0.135 -2.369 -1.648 1.00 22.44 H new ATOM 0 HB VAL A 589 -0.915 -1.066 -4.285 1.00 22.34 H new ATOM 0 HG11 VAL A 589 -3.171 -1.852 -3.696 1.00 62.21 H new ATOM 0 HG12 VAL A 589 -2.016 -3.199 -3.833 1.00 62.21 H new ATOM 0 HG13 VAL A 589 -2.517 -2.616 -2.228 1.00 62.21 H new ATOM 0 HG21 VAL A 589 -2.404 0.379 -2.962 1.00 63.33 H new ATOM 0 HG22 VAL A 589 -1.717 -0.293 -1.463 1.00 63.33 H new ATOM 0 HG23 VAL A 589 -0.691 0.656 -2.566 1.00 63.33 H new ATOM 443 N GLU A 590 1.048 -2.738 -4.730 1.00 63.24 N ATOM 444 CA GLU A 590 1.540 -3.723 -5.686 1.00 52.31 C ATOM 445 C GLU A 590 2.664 -4.557 -5.079 1.00 11.34 C ATOM 446 O GLU A 590 2.844 -5.724 -5.427 1.00 52.52 O ATOM 447 CB GLU A 590 2.032 -3.030 -6.959 1.00 20.32 C ATOM 448 CG GLU A 590 0.921 -2.385 -7.769 1.00 15.44 C ATOM 449 CD GLU A 590 1.424 -1.770 -9.062 1.00 44.21 C ATOM 450 OE1 GLU A 590 2.628 -1.915 -9.360 1.00 61.05 O ATOM 451 OE2 GLU A 590 0.611 -1.145 -9.775 1.00 23.11 O ATOM 0 H GLU A 590 1.076 -1.775 -5.064 1.00 63.24 H new ATOM 0 HA GLU A 590 0.715 -4.389 -5.940 1.00 52.31 H new ATOM 0 HB2 GLU A 590 2.762 -2.268 -6.688 1.00 20.32 H new ATOM 0 HB3 GLU A 590 2.549 -3.759 -7.583 1.00 20.32 H new ATOM 0 HG2 GLU A 590 0.162 -3.133 -7.998 1.00 15.44 H new ATOM 0 HG3 GLU A 590 0.438 -1.614 -7.168 1.00 15.44 H new ATOM 456 N ALA A 591 3.419 -3.948 -4.171 1.00 24.33 N ATOM 457 CA ALA A 591 4.526 -4.634 -3.515 1.00 33.14 C ATOM 458 C ALA A 591 4.017 -5.660 -2.509 1.00 73.54 C ATOM 459 O ALA A 591 4.496 -6.793 -2.466 1.00 1.21 O ATOM 460 CB ALA A 591 5.439 -3.627 -2.829 1.00 54.44 C ATOM 0 H ALA A 591 3.285 -2.982 -3.873 1.00 24.33 H new ATOM 0 HA ALA A 591 5.096 -5.164 -4.278 1.00 33.14 H new ATOM 0 HB1 ALA A 591 6.261 -4.153 -2.343 1.00 54.44 H new ATOM 0 HB2 ALA A 591 5.839 -2.934 -3.570 1.00 54.44 H new ATOM 0 HB3 ALA A 591 4.872 -3.072 -2.082 1.00 54.44 H new ATOM 466 N VAL A 592 3.043 -5.255 -1.699 1.00 23.13 N ATOM 467 CA VAL A 592 2.469 -6.140 -0.693 1.00 12.10 C ATOM 468 C VAL A 592 1.554 -7.179 -1.333 1.00 75.51 C ATOM 469 O VAL A 592 1.358 -8.265 -0.789 1.00 22.21 O ATOM 470 CB VAL A 592 1.671 -5.349 0.361 1.00 52.23 C ATOM 471 CG1 VAL A 592 0.495 -4.633 -0.287 1.00 50.02 C ATOM 472 CG2 VAL A 592 1.197 -6.271 1.473 1.00 25.11 C ATOM 0 H VAL A 592 2.636 -4.320 -1.720 1.00 23.13 H new ATOM 0 HA VAL A 592 3.302 -6.645 -0.204 1.00 12.10 H new ATOM 0 HB VAL A 592 2.327 -4.597 0.799 1.00 52.23 H new ATOM 0 HG11 VAL A 592 -0.057 -4.079 0.472 1.00 50.02 H new ATOM 0 HG12 VAL A 592 0.863 -3.941 -1.045 1.00 50.02 H new ATOM 0 HG13 VAL A 592 -0.164 -5.365 -0.754 1.00 50.02 H new ATOM 0 HG21 VAL A 592 0.635 -5.695 2.208 1.00 25.11 H new ATOM 0 HG22 VAL A 592 0.557 -7.047 1.054 1.00 25.11 H new ATOM 0 HG23 VAL A 592 2.059 -6.733 1.955 1.00 25.11 H new ATOM 482 N GLU A 593 0.997 -6.836 -2.490 1.00 23.21 N ATOM 483 CA GLU A 593 0.103 -7.741 -3.204 1.00 73.44 C ATOM 484 C GLU A 593 0.883 -8.884 -3.846 1.00 34.03 C ATOM 485 O GLU A 593 0.455 -10.038 -3.815 1.00 41.20 O ATOM 486 CB GLU A 593 -0.681 -6.979 -4.274 1.00 34.32 C ATOM 487 CG GLU A 593 -2.149 -6.787 -3.934 1.00 22.21 C ATOM 488 CD GLU A 593 -3.011 -7.947 -4.394 1.00 34.15 C ATOM 489 OE1 GLU A 593 -2.623 -9.109 -4.150 1.00 34.32 O ATOM 490 OE2 GLU A 593 -4.073 -7.692 -5.000 1.00 21.23 O ATOM 0 H GLU A 593 1.148 -5.940 -2.953 1.00 23.21 H new ATOM 0 HA GLU A 593 -0.597 -8.163 -2.483 1.00 73.44 H new ATOM 0 HB2 GLU A 593 -0.221 -6.002 -4.423 1.00 34.32 H new ATOM 0 HB3 GLU A 593 -0.603 -7.515 -5.220 1.00 34.32 H new ATOM 0 HG2 GLU A 593 -2.256 -6.665 -2.856 1.00 22.21 H new ATOM 0 HG3 GLU A 593 -2.508 -5.867 -4.396 1.00 22.21 H new ATOM 495 N HIS A 594 2.032 -8.554 -4.429 1.00 32.43 N ATOM 496 CA HIS A 594 2.874 -9.553 -5.079 1.00 71.41 C ATOM 497 C HIS A 594 3.790 -10.234 -4.066 1.00 45.34 C ATOM 498 O HIS A 594 3.903 -11.460 -4.044 1.00 23.03 O ATOM 499 CB HIS A 594 3.709 -8.905 -6.184 1.00 74.23 C ATOM 500 CG HIS A 594 3.992 -9.821 -7.335 1.00 54.33 C ATOM 501 ND1 HIS A 594 5.039 -10.716 -7.344 1.00 2.34 N ATOM 502 CD2 HIS A 594 3.355 -9.976 -8.519 1.00 13.21 C ATOM 503 CE1 HIS A 594 5.036 -11.382 -8.485 1.00 31.12 C ATOM 504 NE2 HIS A 594 4.023 -10.952 -9.216 1.00 25.33 N ATOM 0 H HIS A 594 2.401 -7.604 -4.465 1.00 32.43 H new ATOM 0 HA HIS A 594 2.224 -10.309 -5.520 1.00 71.41 H new ATOM 0 HB2 HIS A 594 3.187 -8.022 -6.553 1.00 74.23 H new ATOM 0 HB3 HIS A 594 4.654 -8.563 -5.761 1.00 74.23 H new ATOM 0 HD2 HIS A 594 2.483 -9.433 -8.853 1.00 13.21 H new ATOM 0 HE1 HIS A 594 5.742 -12.148 -8.771 1.00 31.12 H new ATOM 0 HE2 HIS A 594 3.777 -11.290 -10.146 1.00 25.33 H new ATOM 511 N LEU A 595 4.440 -9.432 -3.231 1.00 12.21 N ATOM 512 CA LEU A 595 5.347 -9.958 -2.216 1.00 20.11 C ATOM 513 C LEU A 595 4.572 -10.471 -1.007 1.00 61.11 C ATOM 514 O LEU A 595 5.113 -11.193 -0.170 1.00 43.00 O ATOM 515 CB LEU A 595 6.337 -8.877 -1.781 1.00 62.50 C ATOM 516 CG LEU A 595 7.053 -8.129 -2.906 1.00 61.10 C ATOM 517 CD1 LEU A 595 7.605 -6.805 -2.401 1.00 44.05 C ATOM 518 CD2 LEU A 595 8.167 -8.984 -3.491 1.00 65.41 C ATOM 0 H LEU A 595 4.356 -8.415 -3.236 1.00 12.21 H new ATOM 0 HA LEU A 595 5.897 -10.792 -2.652 1.00 20.11 H new ATOM 0 HB2 LEU A 595 5.803 -8.149 -1.170 1.00 62.50 H new ATOM 0 HB3 LEU A 595 7.090 -9.338 -1.142 1.00 62.50 H new ATOM 0 HG LEU A 595 6.330 -7.921 -3.694 1.00 61.10 H new ATOM 0 HD11 LEU A 595 8.111 -6.287 -3.216 1.00 44.05 H new ATOM 0 HD12 LEU A 595 6.787 -6.187 -2.031 1.00 44.05 H new ATOM 0 HD13 LEU A 595 8.313 -6.990 -1.594 1.00 44.05 H new ATOM 0 HD21 LEU A 595 8.665 -8.435 -4.290 1.00 65.41 H new ATOM 0 HD22 LEU A 595 8.889 -9.224 -2.711 1.00 65.41 H new ATOM 0 HD23 LEU A 595 7.746 -9.906 -3.892 1.00 65.41 H new ATOM 529 N GLY A 596 3.299 -10.094 -0.921 1.00 15.34 N ATOM 530 CA GLY A 596 2.470 -10.526 0.187 1.00 65.02 C ATOM 531 C GLY A 596 2.685 -9.689 1.433 1.00 1.10 C ATOM 532 O GLY A 596 3.612 -8.881 1.496 1.00 54.42 O ATOM 0 H GLY A 596 2.828 -9.496 -1.600 1.00 15.34 H new ATOM 0 HA2 GLY A 596 1.421 -10.473 -0.106 1.00 65.02 H new ATOM 0 HA3 GLY A 596 2.686 -11.570 0.413 1.00 65.02 H new ATOM 536 N THR A 597 1.825 -9.881 2.429 1.00 42.31 N ATOM 537 CA THR A 597 1.923 -9.136 3.678 1.00 41.04 C ATOM 538 C THR A 597 2.981 -9.738 4.596 1.00 3.41 C ATOM 539 O THR A 597 3.202 -9.255 5.704 1.00 61.44 O ATOM 540 CB THR A 597 0.574 -9.105 4.420 1.00 41.24 C ATOM 541 OG1 THR A 597 -0.164 -10.301 4.147 1.00 41.44 O ATOM 542 CG2 THR A 597 -0.245 -7.892 4.004 1.00 2.24 C ATOM 0 H THR A 597 1.053 -10.546 2.395 1.00 42.31 H new ATOM 0 HA THR A 597 2.210 -8.117 3.417 1.00 41.04 H new ATOM 0 HB THR A 597 0.775 -9.039 5.489 1.00 41.24 H new ATOM 0 HG1 THR A 597 -0.626 -10.211 3.288 1.00 41.44 H new ATOM 0 HG21 THR A 597 -1.193 -7.892 4.541 1.00 2.24 H new ATOM 0 HG22 THR A 597 0.306 -6.982 4.241 1.00 2.24 H new ATOM 0 HG23 THR A 597 -0.436 -7.932 2.932 1.00 2.24 H new ATOM 550 N GLY A 598 3.634 -10.797 4.125 1.00 43.22 N ATOM 551 CA GLY A 598 4.662 -11.447 4.916 1.00 61.13 C ATOM 552 C GLY A 598 6.060 -11.038 4.498 1.00 21.12 C ATOM 553 O GLY A 598 7.028 -11.286 5.218 1.00 44.51 O ATOM 0 H GLY A 598 3.469 -11.216 3.210 1.00 43.22 H new ATOM 0 HA2 GLY A 598 4.515 -11.203 5.968 1.00 61.13 H new ATOM 0 HA3 GLY A 598 4.560 -12.528 4.822 1.00 61.13 H new ATOM 557 N ARG A 599 6.167 -10.412 3.331 1.00 25.33 N ATOM 558 CA ARG A 599 7.459 -9.971 2.817 1.00 21.14 C ATOM 559 C ARG A 599 7.622 -8.463 2.980 1.00 14.33 C ATOM 560 O ARG A 599 7.605 -7.718 2.000 1.00 34.21 O ATOM 561 CB ARG A 599 7.603 -10.355 1.344 1.00 12.41 C ATOM 562 CG ARG A 599 7.630 -11.855 1.104 1.00 2.05 C ATOM 563 CD ARG A 599 7.867 -12.181 -0.362 1.00 0.21 C ATOM 564 NE ARG A 599 8.861 -13.237 -0.535 1.00 32.50 N ATOM 565 CZ ARG A 599 8.610 -14.524 -0.330 1.00 5.31 C ATOM 566 NH1 ARG A 599 7.402 -14.915 0.052 1.00 61.24 N ATOM 567 NH2 ARG A 599 9.568 -15.426 -0.508 1.00 60.52 N ATOM 0 H ARG A 599 5.376 -10.199 2.724 1.00 25.33 H new ATOM 0 HA ARG A 599 8.240 -10.468 3.392 1.00 21.14 H new ATOM 0 HB2 ARG A 599 6.776 -9.921 0.782 1.00 12.41 H new ATOM 0 HB3 ARG A 599 8.520 -9.917 0.951 1.00 12.41 H new ATOM 0 HG2 ARG A 599 8.415 -12.307 1.710 1.00 2.05 H new ATOM 0 HG3 ARG A 599 6.686 -12.293 1.427 1.00 2.05 H new ATOM 0 HD2 ARG A 599 6.928 -12.489 -0.821 1.00 0.21 H new ATOM 0 HD3 ARG A 599 8.198 -11.283 -0.884 1.00 0.21 H new ATOM 0 HE ARG A 599 9.800 -12.971 -0.830 1.00 32.50 H new ATOM 0 HH11 ARG A 599 6.663 -14.226 0.189 1.00 61.24 H new ATOM 0 HH12 ARG A 599 7.212 -15.905 0.209 1.00 61.24 H new ATOM 0 HH21 ARG A 599 10.499 -15.130 -0.803 1.00 60.52 H new ATOM 0 HH22 ARG A 599 9.373 -16.415 -0.350 1.00 60.52 H new ATOM 578 N TRP A 600 7.780 -8.021 4.222 1.00 11.20 N ATOM 579 CA TRP A 600 7.945 -6.601 4.513 1.00 34.44 C ATOM 580 C TRP A 600 9.217 -6.058 3.870 1.00 24.30 C ATOM 581 O TRP A 600 9.190 -5.038 3.183 1.00 72.14 O ATOM 582 CB TRP A 600 7.985 -6.370 6.024 1.00 22.10 C ATOM 583 CG TRP A 600 6.774 -6.891 6.737 1.00 12.44 C ATOM 584 CD1 TRP A 600 5.493 -6.917 6.264 1.00 13.41 C ATOM 585 CD2 TRP A 600 6.731 -7.459 8.050 1.00 40.44 C ATOM 586 NE1 TRP A 600 4.655 -7.466 7.204 1.00 24.45 N ATOM 587 CE2 TRP A 600 5.390 -7.809 8.308 1.00 71.44 C ATOM 588 CE3 TRP A 600 7.692 -7.709 9.032 1.00 14.25 C ATOM 589 CZ2 TRP A 600 4.991 -8.392 9.508 1.00 71.21 C ATOM 590 CZ3 TRP A 600 7.295 -8.288 10.222 1.00 14.41 C ATOM 591 CH2 TRP A 600 5.954 -8.625 10.452 1.00 10.01 C ATOM 0 H TRP A 600 7.797 -8.625 5.044 1.00 11.20 H new ATOM 0 HA TRP A 600 7.092 -6.068 4.094 1.00 34.44 H new ATOM 0 HB2 TRP A 600 8.874 -6.850 6.434 1.00 22.10 H new ATOM 0 HB3 TRP A 600 8.081 -5.302 6.219 1.00 22.10 H new ATOM 0 HD1 TRP A 600 5.184 -6.558 5.293 1.00 13.41 H new ATOM 0 HE1 TRP A 600 3.649 -7.597 7.097 1.00 24.45 H new ATOM 0 HE3 TRP A 600 8.728 -7.454 8.864 1.00 14.25 H new ATOM 0 HZ2 TRP A 600 3.958 -8.651 9.687 1.00 71.21 H new ATOM 0 HZ3 TRP A 600 8.031 -8.484 10.988 1.00 14.41 H new ATOM 0 HH2 TRP A 600 5.675 -9.077 11.392 1.00 10.01 H new ATOM 601 N ARG A 601 10.331 -6.748 4.097 1.00 11.02 N ATOM 602 CA ARG A 601 11.613 -6.334 3.540 1.00 61.23 C ATOM 603 C ARG A 601 11.516 -6.153 2.028 1.00 15.40 C ATOM 604 O ARG A 601 11.966 -5.145 1.484 1.00 11.24 O ATOM 605 CB ARG A 601 12.694 -7.364 3.872 1.00 24.35 C ATOM 606 CG ARG A 601 12.314 -8.788 3.499 1.00 71.13 C ATOM 607 CD ARG A 601 13.317 -9.793 4.045 1.00 54.41 C ATOM 608 NE ARG A 601 14.553 -9.810 3.266 1.00 62.03 N ATOM 609 CZ ARG A 601 15.657 -10.437 3.655 1.00 3.12 C ATOM 610 NH1 ARG A 601 15.679 -11.096 4.806 1.00 14.13 N ATOM 611 NH2 ARG A 601 16.742 -10.407 2.892 1.00 42.41 N ATOM 0 H ARG A 601 10.371 -7.596 4.663 1.00 11.02 H new ATOM 0 HA ARG A 601 11.883 -5.377 3.987 1.00 61.23 H new ATOM 0 HB2 ARG A 601 13.613 -7.094 3.352 1.00 24.35 H new ATOM 0 HB3 ARG A 601 12.908 -7.322 4.940 1.00 24.35 H new ATOM 0 HG2 ARG A 601 11.321 -9.015 3.888 1.00 71.13 H new ATOM 0 HG3 ARG A 601 12.260 -8.879 2.414 1.00 71.13 H new ATOM 0 HD2 ARG A 601 13.546 -9.550 5.083 1.00 54.41 H new ATOM 0 HD3 ARG A 601 12.872 -10.788 4.041 1.00 54.41 H new ATOM 0 HE ARG A 601 14.569 -9.313 2.375 1.00 62.03 H new ATOM 0 HH11 ARG A 601 14.846 -11.122 5.395 1.00 14.13 H new ATOM 0 HH12 ARG A 601 16.528 -11.577 5.102 1.00 14.13 H new ATOM 0 HH21 ARG A 601 16.729 -9.902 2.006 1.00 42.41 H new ATOM 0 HH22 ARG A 601 17.590 -10.889 3.192 1.00 42.41 H new ATOM 622 N ASP A 602 10.926 -7.135 1.356 1.00 40.02 N ATOM 623 CA ASP A 602 10.769 -7.084 -0.092 1.00 12.21 C ATOM 624 C ASP A 602 9.882 -5.912 -0.503 1.00 61.31 C ATOM 625 O ASP A 602 10.104 -5.284 -1.538 1.00 42.04 O ATOM 626 CB ASP A 602 10.173 -8.395 -0.609 1.00 33.50 C ATOM 627 CG ASP A 602 10.956 -9.608 -0.147 1.00 14.05 C ATOM 628 OD1 ASP A 602 12.146 -9.449 0.201 1.00 44.34 O ATOM 629 OD2 ASP A 602 10.381 -10.716 -0.134 1.00 43.33 O ATOM 0 H ASP A 602 10.548 -7.977 1.792 1.00 40.02 H new ATOM 0 HA ASP A 602 11.755 -6.942 -0.534 1.00 12.21 H new ATOM 0 HB2 ASP A 602 9.141 -8.481 -0.269 1.00 33.50 H new ATOM 0 HB3 ASP A 602 10.149 -8.375 -1.699 1.00 33.50 H new ATOM 633 N VAL A 603 8.875 -5.623 0.317 1.00 33.24 N ATOM 634 CA VAL A 603 7.956 -4.527 0.040 1.00 63.05 C ATOM 635 C VAL A 603 8.669 -3.181 0.101 1.00 13.40 C ATOM 636 O VAL A 603 8.313 -2.244 -0.613 1.00 34.14 O ATOM 637 CB VAL A 603 6.780 -4.517 1.034 1.00 40.33 C ATOM 638 CG1 VAL A 603 5.984 -3.226 0.909 1.00 15.14 C ATOM 639 CG2 VAL A 603 5.884 -5.727 0.813 1.00 32.22 C ATOM 0 H VAL A 603 8.676 -6.133 1.178 1.00 33.24 H new ATOM 0 HA VAL A 603 7.571 -4.685 -0.967 1.00 63.05 H new ATOM 0 HB VAL A 603 7.183 -4.571 2.045 1.00 40.33 H new ATOM 0 HG11 VAL A 603 5.157 -3.238 1.619 1.00 15.14 H new ATOM 0 HG12 VAL A 603 6.633 -2.376 1.122 1.00 15.14 H new ATOM 0 HG13 VAL A 603 5.591 -3.138 -0.104 1.00 15.14 H new ATOM 0 HG21 VAL A 603 5.058 -5.703 1.524 1.00 32.22 H new ATOM 0 HG22 VAL A 603 5.489 -5.706 -0.203 1.00 32.22 H new ATOM 0 HG23 VAL A 603 6.462 -6.639 0.959 1.00 32.22 H new ATOM 649 N LYS A 604 9.681 -3.092 0.958 1.00 42.25 N ATOM 650 CA LYS A 604 10.448 -1.862 1.113 1.00 50.51 C ATOM 651 C LYS A 604 11.267 -1.571 -0.140 1.00 73.02 C ATOM 652 O LYS A 604 11.230 -0.462 -0.673 1.00 12.54 O ATOM 653 CB LYS A 604 11.372 -1.963 2.328 1.00 31.20 C ATOM 654 CG LYS A 604 11.576 -0.641 3.049 1.00 51.54 C ATOM 655 CD LYS A 604 12.570 -0.775 4.190 1.00 44.30 C ATOM 656 CE LYS A 604 14.001 -0.827 3.679 1.00 10.21 C ATOM 657 NZ LYS A 604 14.426 -2.218 3.359 1.00 53.31 N ATOM 0 H LYS A 604 9.989 -3.858 1.556 1.00 42.25 H new ATOM 0 HA LYS A 604 9.746 -1.042 1.266 1.00 50.51 H new ATOM 0 HB2 LYS A 604 10.959 -2.689 3.028 1.00 31.20 H new ATOM 0 HB3 LYS A 604 12.341 -2.345 2.006 1.00 31.20 H new ATOM 0 HG2 LYS A 604 11.931 0.109 2.342 1.00 51.54 H new ATOM 0 HG3 LYS A 604 10.621 -0.286 3.437 1.00 51.54 H new ATOM 0 HD2 LYS A 604 12.457 0.067 4.873 1.00 44.30 H new ATOM 0 HD3 LYS A 604 12.353 -1.679 4.759 1.00 44.30 H new ATOM 0 HE2 LYS A 604 14.091 -0.206 2.788 1.00 10.21 H new ATOM 0 HE3 LYS A 604 14.670 -0.407 4.430 1.00 10.21 H new ATOM 0 HZ1 LYS A 604 15.323 -2.427 3.842 1.00 53.31 H new ATOM 0 HZ2 LYS A 604 13.697 -2.886 3.680 1.00 53.31 H new ATOM 0 HZ3 LYS A 604 14.555 -2.314 2.332 1.00 53.31 H new ATOM 667 N MET A 605 12.004 -2.574 -0.605 1.00 13.54 N ATOM 668 CA MET A 605 12.830 -2.426 -1.798 1.00 54.22 C ATOM 669 C MET A 605 11.968 -2.389 -3.056 1.00 54.34 C ATOM 670 O MET A 605 12.320 -1.742 -4.043 1.00 21.30 O ATOM 671 CB MET A 605 13.840 -3.570 -1.892 1.00 44.24 C ATOM 672 CG MET A 605 14.637 -3.784 -0.615 1.00 73.25 C ATOM 673 SD MET A 605 15.994 -4.951 -0.831 1.00 72.31 S ATOM 674 CE MET A 605 15.246 -6.458 -0.218 1.00 75.20 C ATOM 0 H MET A 605 12.046 -3.498 -0.174 1.00 13.54 H new ATOM 0 HA MET A 605 13.369 -1.482 -1.720 1.00 54.22 H new ATOM 0 HB2 MET A 605 13.312 -4.491 -2.139 1.00 44.24 H new ATOM 0 HB3 MET A 605 14.530 -3.368 -2.712 1.00 44.24 H new ATOM 0 HG2 MET A 605 15.036 -2.828 -0.276 1.00 73.25 H new ATOM 0 HG3 MET A 605 13.971 -4.148 0.168 1.00 73.25 H new ATOM 0 HE1 MET A 605 15.964 -7.275 -0.287 1.00 75.20 H new ATOM 0 HE2 MET A 605 14.951 -6.321 0.822 1.00 75.20 H new ATOM 0 HE3 MET A 605 14.367 -6.697 -0.816 1.00 75.20 H new ATOM 682 N ARG A 606 10.837 -3.086 -3.013 1.00 14.33 N ATOM 683 CA ARG A 606 9.925 -3.134 -4.150 1.00 33.24 C ATOM 684 C ARG A 606 9.172 -1.815 -4.299 1.00 1.22 C ATOM 685 O ARG A 606 8.979 -1.320 -5.409 1.00 3.44 O ATOM 686 CB ARG A 606 8.933 -4.286 -3.987 1.00 52.22 C ATOM 687 CG ARG A 606 7.768 -4.228 -4.963 1.00 22.41 C ATOM 688 CD ARG A 606 8.202 -4.602 -6.372 1.00 72.34 C ATOM 689 NE ARG A 606 8.986 -3.542 -7.001 1.00 64.31 N ATOM 690 CZ ARG A 606 9.786 -3.740 -8.042 1.00 25.42 C ATOM 691 NH1 ARG A 606 9.908 -4.951 -8.567 1.00 4.15 N ATOM 692 NH2 ARG A 606 10.467 -2.726 -8.559 1.00 1.55 N ATOM 0 H ARG A 606 10.530 -3.625 -2.203 1.00 14.33 H new ATOM 0 HA ARG A 606 10.516 -3.298 -5.051 1.00 33.24 H new ATOM 0 HB2 ARG A 606 9.461 -5.230 -4.120 1.00 52.22 H new ATOM 0 HB3 ARG A 606 8.544 -4.278 -2.969 1.00 52.22 H new ATOM 0 HG2 ARG A 606 6.981 -4.905 -4.632 1.00 22.41 H new ATOM 0 HG3 ARG A 606 7.344 -3.224 -4.966 1.00 22.41 H new ATOM 0 HD2 ARG A 606 8.791 -5.518 -6.339 1.00 72.34 H new ATOM 0 HD3 ARG A 606 7.321 -4.811 -6.979 1.00 72.34 H new ATOM 0 HE ARG A 606 8.915 -2.599 -6.620 1.00 64.31 H new ATOM 0 HH11 ARG A 606 9.387 -5.733 -8.171 1.00 4.15 H new ATOM 0 HH12 ARG A 606 10.523 -5.101 -9.367 1.00 4.15 H new ATOM 0 HH21 ARG A 606 10.376 -1.793 -8.157 1.00 1.55 H new ATOM 0 HH22 ARG A 606 11.081 -2.879 -9.359 1.00 1.55 H new ATOM 703 N ALA A 607 8.748 -1.252 -3.172 1.00 45.41 N ATOM 704 CA ALA A 607 8.016 0.009 -3.177 1.00 32.22 C ATOM 705 C ALA A 607 8.966 1.195 -3.048 1.00 71.51 C ATOM 706 O ALA A 607 9.161 1.953 -3.998 1.00 21.12 O ATOM 707 CB ALA A 607 6.991 0.028 -2.053 1.00 54.50 C ATOM 0 H ALA A 607 8.899 -1.649 -2.245 1.00 45.41 H new ATOM 0 HA ALA A 607 7.496 0.095 -4.131 1.00 32.22 H new ATOM 0 HB1 ALA A 607 6.452 0.975 -2.068 1.00 54.50 H new ATOM 0 HB2 ALA A 607 6.287 -0.793 -2.189 1.00 54.50 H new ATOM 0 HB3 ALA A 607 7.499 -0.085 -1.095 1.00 54.50 H new ATOM 713 N PHE A 608 9.556 1.350 -1.867 1.00 21.12 N ATOM 714 CA PHE A 608 10.485 2.445 -1.614 1.00 51.32 C ATOM 715 C PHE A 608 11.792 2.236 -2.372 1.00 4.43 C ATOM 716 O PHE A 608 12.446 1.202 -2.231 1.00 1.21 O ATOM 717 CB PHE A 608 10.766 2.567 -0.115 1.00 54.55 C ATOM 718 CG PHE A 608 9.600 3.093 0.672 1.00 74.23 C ATOM 719 CD1 PHE A 608 8.486 2.301 0.898 1.00 54.11 C ATOM 720 CD2 PHE A 608 9.618 4.380 1.186 1.00 31.44 C ATOM 721 CE1 PHE A 608 7.411 2.783 1.623 1.00 64.30 C ATOM 722 CE2 PHE A 608 8.547 4.866 1.912 1.00 75.10 C ATOM 723 CZ PHE A 608 7.442 4.067 2.129 1.00 63.20 C ATOM 0 H PHE A 608 9.407 0.731 -1.070 1.00 21.12 H new ATOM 0 HA PHE A 608 10.024 3.368 -1.967 1.00 51.32 H new ATOM 0 HB2 PHE A 608 11.046 1.588 0.275 1.00 54.55 H new ATOM 0 HB3 PHE A 608 11.622 3.226 0.034 1.00 54.55 H new ATOM 0 HD1 PHE A 608 8.457 1.296 0.504 1.00 54.11 H new ATOM 0 HD2 PHE A 608 10.479 5.010 1.017 1.00 31.44 H new ATOM 0 HE1 PHE A 608 6.549 2.156 1.793 1.00 64.30 H new ATOM 0 HE2 PHE A 608 8.574 5.870 2.309 1.00 75.10 H new ATOM 0 HZ PHE A 608 6.603 4.446 2.694 1.00 63.20 H new ATOM 828 N TYR A 616 10.895 -1.411 8.140 1.00 35.41 N ATOM 829 CA TYR A 616 9.687 -1.706 7.378 1.00 31.11 C ATOM 830 C TYR A 616 8.449 -1.173 8.091 1.00 55.15 C ATOM 831 O TYR A 616 7.333 -1.630 7.849 1.00 42.33 O ATOM 832 CB TYR A 616 9.553 -3.214 7.159 1.00 15.24 C ATOM 833 CG TYR A 616 9.669 -4.023 8.431 1.00 2.55 C ATOM 834 CD1 TYR A 616 8.578 -4.184 9.277 1.00 13.22 C ATOM 835 CD2 TYR A 616 10.868 -4.628 8.786 1.00 1.25 C ATOM 836 CE1 TYR A 616 8.680 -4.922 10.440 1.00 4.22 C ATOM 837 CE2 TYR A 616 10.979 -5.370 9.946 1.00 52.04 C ATOM 838 CZ TYR A 616 9.882 -5.513 10.771 1.00 3.24 C ATOM 839 OH TYR A 616 9.986 -6.250 11.927 1.00 22.23 O ATOM 0 HA TYR A 616 9.768 -1.210 6.411 1.00 31.11 H new ATOM 0 HB2 TYR A 616 8.589 -3.421 6.693 1.00 15.24 H new ATOM 0 HB3 TYR A 616 10.322 -3.541 6.459 1.00 15.24 H new ATOM 0 HD1 TYR A 616 7.635 -3.724 9.021 1.00 13.22 H new ATOM 0 HD2 TYR A 616 11.729 -4.516 8.144 1.00 1.25 H new ATOM 0 HE1 TYR A 616 7.823 -5.036 11.087 1.00 4.22 H new ATOM 0 HE2 TYR A 616 11.918 -5.835 10.206 1.00 52.04 H new ATOM 0 HH TYR A 616 10.898 -6.599 12.012 1.00 22.23 H new ATOM 848 N VAL A 617 8.655 -0.199 8.973 1.00 61.22 N ATOM 849 CA VAL A 617 7.556 0.399 9.722 1.00 34.14 C ATOM 850 C VAL A 617 6.696 1.280 8.824 1.00 41.34 C ATOM 851 O VAL A 617 5.481 1.372 9.007 1.00 41.23 O ATOM 852 CB VAL A 617 8.076 1.243 10.903 1.00 10.52 C ATOM 853 CG1 VAL A 617 8.931 2.396 10.399 1.00 62.21 C ATOM 854 CG2 VAL A 617 6.915 1.755 11.741 1.00 61.11 C ATOM 0 H VAL A 617 9.573 0.192 9.186 1.00 61.22 H new ATOM 0 HA VAL A 617 6.952 -0.422 10.109 1.00 34.14 H new ATOM 0 HB VAL A 617 8.699 0.610 11.535 1.00 10.52 H new ATOM 0 HG11 VAL A 617 9.289 2.981 11.246 1.00 62.21 H new ATOM 0 HG12 VAL A 617 9.782 2.002 9.844 1.00 62.21 H new ATOM 0 HG13 VAL A 617 8.335 3.032 9.745 1.00 62.21 H new ATOM 0 HG21 VAL A 617 7.299 2.349 12.570 1.00 61.11 H new ATOM 0 HG22 VAL A 617 6.265 2.374 11.122 1.00 61.11 H new ATOM 0 HG23 VAL A 617 6.348 0.910 12.132 1.00 61.11 H new ATOM 864 N ASP A 618 7.330 1.924 7.851 1.00 54.32 N ATOM 865 CA ASP A 618 6.622 2.796 6.922 1.00 75.04 C ATOM 866 C ASP A 618 5.730 1.985 5.987 1.00 53.15 C ATOM 867 O ASP A 618 4.544 2.279 5.833 1.00 73.22 O ATOM 868 CB ASP A 618 7.616 3.624 6.107 1.00 32.24 C ATOM 869 CG ASP A 618 7.565 5.099 6.455 1.00 43.01 C ATOM 870 OD1 ASP A 618 7.241 5.423 7.618 1.00 2.44 O ATOM 871 OD2 ASP A 618 7.847 5.930 5.566 1.00 62.31 O ATOM 0 H ASP A 618 8.334 1.858 7.685 1.00 54.32 H new ATOM 0 HA ASP A 618 5.992 3.469 7.504 1.00 75.04 H new ATOM 0 HB2 ASP A 618 8.624 3.248 6.279 1.00 32.24 H new ATOM 0 HB3 ASP A 618 7.405 3.497 5.045 1.00 32.24 H new ATOM 875 N LEU A 619 6.308 0.964 5.365 1.00 20.52 N ATOM 876 CA LEU A 619 5.566 0.109 4.445 1.00 74.12 C ATOM 877 C LEU A 619 4.502 -0.695 5.185 1.00 54.12 C ATOM 878 O LEU A 619 3.398 -0.900 4.679 1.00 15.14 O ATOM 879 CB LEU A 619 6.521 -0.837 3.715 1.00 22.05 C ATOM 880 CG LEU A 619 7.086 -1.991 4.543 1.00 73.33 C ATOM 881 CD1 LEU A 619 6.171 -3.203 4.467 1.00 51.24 C ATOM 882 CD2 LEU A 619 8.488 -2.349 4.073 1.00 32.30 C ATOM 0 H LEU A 619 7.288 0.708 5.481 1.00 20.52 H new ATOM 0 HA LEU A 619 5.069 0.748 3.715 1.00 74.12 H new ATOM 0 HB2 LEU A 619 5.999 -1.255 2.855 1.00 22.05 H new ATOM 0 HB3 LEU A 619 7.355 -0.252 3.328 1.00 22.05 H new ATOM 0 HG LEU A 619 7.144 -1.671 5.583 1.00 73.33 H new ATOM 0 HD11 LEU A 619 6.591 -4.014 5.063 1.00 51.24 H new ATOM 0 HD12 LEU A 619 5.186 -2.940 4.854 1.00 51.24 H new ATOM 0 HD13 LEU A 619 6.079 -3.525 3.430 1.00 51.24 H new ATOM 0 HD21 LEU A 619 8.874 -3.172 4.674 1.00 32.30 H new ATOM 0 HD22 LEU A 619 8.455 -2.649 3.025 1.00 32.30 H new ATOM 0 HD23 LEU A 619 9.141 -1.483 4.182 1.00 32.30 H new ATOM 893 N LYS A 620 4.841 -1.148 6.388 1.00 54.23 N ATOM 894 CA LYS A 620 3.914 -1.926 7.201 1.00 64.50 C ATOM 895 C LYS A 620 2.725 -1.076 7.637 1.00 74.53 C ATOM 896 O LYS A 620 1.579 -1.518 7.578 1.00 40.54 O ATOM 897 CB LYS A 620 4.631 -2.489 8.430 1.00 74.31 C ATOM 898 CG LYS A 620 3.756 -3.386 9.288 1.00 4.31 C ATOM 899 CD LYS A 620 4.101 -3.258 10.762 1.00 51.45 C ATOM 900 CE LYS A 620 5.327 -4.082 11.122 1.00 2.23 C ATOM 901 NZ LYS A 620 5.443 -4.292 12.591 1.00 3.01 N ATOM 0 H LYS A 620 5.751 -0.989 6.821 1.00 54.23 H new ATOM 0 HA LYS A 620 3.543 -2.752 6.594 1.00 64.50 H new ATOM 0 HB2 LYS A 620 5.505 -3.053 8.104 1.00 74.31 H new ATOM 0 HB3 LYS A 620 4.995 -1.661 9.039 1.00 74.31 H new ATOM 0 HG2 LYS A 620 2.708 -3.127 9.135 1.00 4.31 H new ATOM 0 HG3 LYS A 620 3.878 -4.423 8.974 1.00 4.31 H new ATOM 0 HD2 LYS A 620 4.281 -2.211 11.005 1.00 51.45 H new ATOM 0 HD3 LYS A 620 3.253 -3.583 11.365 1.00 51.45 H new ATOM 0 HE2 LYS A 620 5.275 -5.048 10.620 1.00 2.23 H new ATOM 0 HE3 LYS A 620 6.222 -3.580 10.755 1.00 2.23 H new ATOM 0 HZ1 LYS A 620 6.291 -4.858 12.795 1.00 3.01 H new ATOM 0 HZ2 LYS A 620 5.518 -3.371 13.068 1.00 3.01 H new ATOM 0 HZ3 LYS A 620 4.601 -4.794 12.938 1.00 3.01 H new ATOM 911 N ASP A 621 3.008 0.148 8.074 1.00 43.00 N ATOM 912 CA ASP A 621 1.961 1.062 8.518 1.00 4.32 C ATOM 913 C ASP A 621 1.143 1.567 7.334 1.00 60.42 C ATOM 914 O ASP A 621 -0.065 1.780 7.445 1.00 22.41 O ATOM 915 CB ASP A 621 2.572 2.242 9.273 1.00 32.13 C ATOM 916 CG ASP A 621 1.524 3.102 9.949 1.00 54.12 C ATOM 917 OD1 ASP A 621 0.345 2.693 9.972 1.00 1.43 O ATOM 918 OD2 ASP A 621 1.882 4.187 10.456 1.00 3.11 O ATOM 0 H ASP A 621 3.952 0.529 8.130 1.00 43.00 H new ATOM 0 HA ASP A 621 1.297 0.517 9.189 1.00 4.32 H new ATOM 0 HB2 ASP A 621 3.269 1.868 10.023 1.00 32.13 H new ATOM 0 HB3 ASP A 621 3.148 2.854 8.579 1.00 32.13 H new ATOM 922 N LYS A 622 1.809 1.758 6.200 1.00 62.43 N ATOM 923 CA LYS A 622 1.145 2.238 4.994 1.00 41.20 C ATOM 924 C LYS A 622 0.026 1.291 4.575 1.00 42.41 C ATOM 925 O LYS A 622 -1.061 1.728 4.197 1.00 62.33 O ATOM 926 CB LYS A 622 2.156 2.386 3.855 1.00 51.44 C ATOM 927 CG LYS A 622 2.747 3.781 3.743 1.00 45.33 C ATOM 928 CD LYS A 622 3.828 3.845 2.678 1.00 22.43 C ATOM 929 CE LYS A 622 3.236 4.070 1.295 1.00 54.33 C ATOM 930 NZ LYS A 622 4.293 4.207 0.255 1.00 42.43 N ATOM 0 H LYS A 622 2.809 1.588 6.091 1.00 62.43 H new ATOM 0 HA LYS A 622 0.709 3.213 5.213 1.00 41.20 H new ATOM 0 HB2 LYS A 622 2.964 1.669 4.002 1.00 51.44 H new ATOM 0 HB3 LYS A 622 1.670 2.130 2.914 1.00 51.44 H new ATOM 0 HG2 LYS A 622 1.957 4.493 3.504 1.00 45.33 H new ATOM 0 HG3 LYS A 622 3.165 4.078 4.705 1.00 45.33 H new ATOM 0 HD2 LYS A 622 4.524 4.651 2.912 1.00 22.43 H new ATOM 0 HD3 LYS A 622 4.401 2.918 2.683 1.00 22.43 H new ATOM 0 HE2 LYS A 622 2.582 3.236 1.040 1.00 54.33 H new ATOM 0 HE3 LYS A 622 2.619 4.968 1.306 1.00 54.33 H new ATOM 0 HZ1 LYS A 622 3.943 3.827 -0.648 1.00 42.43 H new ATOM 0 HZ2 LYS A 622 4.536 5.211 0.137 1.00 42.43 H new ATOM 0 HZ3 LYS A 622 5.139 3.678 0.548 1.00 42.43 H new ATOM 940 N TRP A 623 0.299 -0.007 4.645 1.00 10.52 N ATOM 941 CA TRP A 623 -0.686 -1.016 4.273 1.00 44.25 C ATOM 942 C TRP A 623 -1.820 -1.071 5.292 1.00 51.00 C ATOM 943 O TRP A 623 -2.996 -1.073 4.927 1.00 41.14 O ATOM 944 CB TRP A 623 -0.023 -2.389 4.158 1.00 33.43 C ATOM 945 CG TRP A 623 -0.902 -3.515 4.612 1.00 72.23 C ATOM 946 CD1 TRP A 623 -2.103 -3.884 4.077 1.00 20.32 C ATOM 947 CD2 TRP A 623 -0.649 -4.416 5.696 1.00 72.30 C ATOM 948 NE1 TRP A 623 -2.612 -4.960 4.763 1.00 33.32 N ATOM 949 CE2 TRP A 623 -1.739 -5.306 5.760 1.00 74.01 C ATOM 950 CE3 TRP A 623 0.392 -4.558 6.617 1.00 60.23 C ATOM 951 CZ2 TRP A 623 -1.816 -6.321 6.709 1.00 23.54 C ATOM 952 CZ3 TRP A 623 0.315 -5.567 7.559 1.00 50.21 C ATOM 953 CH2 TRP A 623 -0.782 -6.438 7.600 1.00 11.34 C ATOM 0 H TRP A 623 1.194 -0.385 4.956 1.00 10.52 H new ATOM 0 HA TRP A 623 -1.104 -0.740 3.305 1.00 44.25 H new ATOM 0 HB2 TRP A 623 0.266 -2.559 3.121 1.00 33.43 H new ATOM 0 HB3 TRP A 623 0.893 -2.392 4.749 1.00 33.43 H new ATOM 0 HD1 TRP A 623 -2.582 -3.401 3.238 1.00 20.32 H new ATOM 0 HE1 TRP A 623 -3.497 -5.426 4.562 1.00 33.32 H new ATOM 0 HE3 TRP A 623 1.242 -3.892 6.593 1.00 60.23 H new ATOM 0 HZ2 TRP A 623 -2.661 -6.993 6.742 1.00 23.54 H new ATOM 0 HZ3 TRP A 623 1.114 -5.686 8.276 1.00 50.21 H new ATOM 0 HH2 TRP A 623 -0.813 -7.216 8.348 1.00 11.34 H new ATOM 963 N LYS A 624 -1.460 -1.114 6.570 1.00 71.23 N ATOM 964 CA LYS A 624 -2.447 -1.167 7.642 1.00 52.21 C ATOM 965 C LYS A 624 -3.480 -0.056 7.485 1.00 41.23 C ATOM 966 O LYS A 624 -4.685 -0.294 7.588 1.00 34.12 O ATOM 967 CB LYS A 624 -1.758 -1.049 9.004 1.00 53.25 C ATOM 968 CG LYS A 624 -2.587 -1.595 10.154 1.00 74.13 C ATOM 969 CD LYS A 624 -2.570 -0.656 11.348 1.00 34.44 C ATOM 970 CE LYS A 624 -3.630 -1.035 12.370 1.00 63.40 C ATOM 971 NZ LYS A 624 -3.316 -2.328 13.041 1.00 54.12 N ATOM 0 H LYS A 624 -0.491 -1.113 6.889 1.00 71.23 H new ATOM 0 HA LYS A 624 -2.960 -2.127 7.583 1.00 52.21 H new ATOM 0 HB2 LYS A 624 -0.807 -1.581 8.968 1.00 53.25 H new ATOM 0 HB3 LYS A 624 -1.530 -0.001 9.197 1.00 53.25 H new ATOM 0 HG2 LYS A 624 -3.615 -1.746 9.823 1.00 74.13 H new ATOM 0 HG3 LYS A 624 -2.201 -2.570 10.451 1.00 74.13 H new ATOM 0 HD2 LYS A 624 -1.586 -0.680 11.817 1.00 34.44 H new ATOM 0 HD3 LYS A 624 -2.738 0.367 11.010 1.00 34.44 H new ATOM 0 HE2 LYS A 624 -3.711 -0.247 13.119 1.00 63.40 H new ATOM 0 HE3 LYS A 624 -4.600 -1.107 11.878 1.00 63.40 H new ATOM 0 HZ1 LYS A 624 -4.062 -2.552 13.730 1.00 54.12 H new ATOM 0 HZ2 LYS A 624 -3.264 -3.085 12.329 1.00 54.12 H new ATOM 0 HZ3 LYS A 624 -2.403 -2.251 13.532 1.00 54.12 H new ATOM 981 N THR A 625 -3.003 1.159 7.234 1.00 55.14 N ATOM 982 CA THR A 625 -3.886 2.307 7.062 1.00 64.50 C ATOM 983 C THR A 625 -4.624 2.238 5.732 1.00 11.54 C ATOM 984 O THR A 625 -5.734 2.755 5.598 1.00 32.22 O ATOM 985 CB THR A 625 -3.104 3.632 7.136 1.00 51.34 C ATOM 986 OG1 THR A 625 -4.014 4.738 7.135 1.00 13.12 O ATOM 987 CG2 THR A 625 -2.143 3.759 5.964 1.00 25.31 C ATOM 0 H THR A 625 -2.010 1.374 7.145 1.00 55.14 H new ATOM 0 HA THR A 625 -4.610 2.275 7.877 1.00 64.50 H new ATOM 0 HB THR A 625 -2.527 3.637 8.061 1.00 51.34 H new ATOM 0 HG1 THR A 625 -3.510 5.577 7.184 1.00 13.12 H new ATOM 0 HG21 THR A 625 -1.602 4.702 6.038 1.00 25.31 H new ATOM 0 HG22 THR A 625 -1.434 2.932 5.984 1.00 25.31 H new ATOM 0 HG23 THR A 625 -2.704 3.734 5.030 1.00 25.31 H new ATOM 995 N LEU A 626 -4.003 1.597 4.748 1.00 41.11 N ATOM 996 CA LEU A 626 -4.602 1.460 3.425 1.00 43.45 C ATOM 997 C LEU A 626 -5.865 0.606 3.485 1.00 73.05 C ATOM 998 O LEU A 626 -6.938 1.036 3.059 1.00 23.40 O ATOM 999 CB LEU A 626 -3.599 0.838 2.451 1.00 42.05 C ATOM 1000 CG LEU A 626 -3.271 1.665 1.207 1.00 63.34 C ATOM 1001 CD1 LEU A 626 -2.123 1.035 0.434 1.00 62.43 C ATOM 1002 CD2 LEU A 626 -4.500 1.805 0.320 1.00 3.54 C ATOM 0 H LEU A 626 -3.084 1.164 4.841 1.00 41.11 H new ATOM 0 HA LEU A 626 -4.874 2.455 3.072 1.00 43.45 H new ATOM 0 HB2 LEU A 626 -2.671 0.645 2.990 1.00 42.05 H new ATOM 0 HB3 LEU A 626 -3.987 -0.128 2.129 1.00 42.05 H new ATOM 0 HG LEU A 626 -2.963 2.660 1.527 1.00 63.34 H new ATOM 0 HD11 LEU A 626 -1.904 1.637 -0.448 1.00 62.43 H new ATOM 0 HD12 LEU A 626 -1.239 0.988 1.070 1.00 62.43 H new ATOM 0 HD13 LEU A 626 -2.402 0.028 0.125 1.00 62.43 H new ATOM 0 HD21 LEU A 626 -4.248 2.396 -0.560 1.00 3.54 H new ATOM 0 HD22 LEU A 626 -4.838 0.817 0.009 1.00 3.54 H new ATOM 0 HD23 LEU A 626 -5.295 2.302 0.876 1.00 3.54 H new ATOM 1013 N VAL A 627 -5.731 -0.603 4.019 1.00 41.32 N ATOM 1014 CA VAL A 627 -6.863 -1.516 4.138 1.00 71.51 C ATOM 1015 C VAL A 627 -7.986 -0.894 4.959 1.00 52.03 C ATOM 1016 O VAL A 627 -9.157 -0.966 4.585 1.00 32.14 O ATOM 1017 CB VAL A 627 -6.443 -2.848 4.789 1.00 30.52 C ATOM 1018 CG1 VAL A 627 -5.727 -2.596 6.107 1.00 60.33 C ATOM 1019 CG2 VAL A 627 -7.654 -3.745 4.994 1.00 14.21 C ATOM 0 H VAL A 627 -4.851 -0.974 4.376 1.00 41.32 H new ATOM 0 HA VAL A 627 -7.221 -1.711 3.127 1.00 71.51 H new ATOM 0 HB VAL A 627 -5.751 -3.358 4.119 1.00 30.52 H new ATOM 0 HG11 VAL A 627 -5.438 -3.548 6.552 1.00 60.33 H new ATOM 0 HG12 VAL A 627 -4.836 -1.994 5.928 1.00 60.33 H new ATOM 0 HG13 VAL A 627 -6.393 -2.065 6.787 1.00 60.33 H new ATOM 0 HG21 VAL A 627 -7.339 -4.681 5.455 1.00 14.21 H new ATOM 0 HG22 VAL A 627 -8.372 -3.244 5.644 1.00 14.21 H new ATOM 0 HG23 VAL A 627 -8.120 -3.953 4.031 1.00 14.21 H new ATOM 1029 N HIS A 628 -7.622 -0.281 6.082 1.00 50.54 N ATOM 1030 CA HIS A 628 -8.601 0.356 6.956 1.00 71.12 C ATOM 1031 C HIS A 628 -9.316 1.493 6.235 1.00 14.31 C ATOM 1032 O HIS A 628 -10.454 1.834 6.561 1.00 31.32 O ATOM 1033 CB HIS A 628 -7.919 0.886 8.218 1.00 0.20 C ATOM 1034 CG HIS A 628 -7.883 -0.105 9.341 1.00 53.33 C ATOM 1035 ND1 HIS A 628 -8.080 -1.458 9.158 1.00 51.24 N ATOM 1036 CD2 HIS A 628 -7.670 0.066 10.667 1.00 51.44 C ATOM 1037 CE1 HIS A 628 -7.992 -2.074 10.322 1.00 4.11 C ATOM 1038 NE2 HIS A 628 -7.743 -1.173 11.254 1.00 73.31 N ATOM 0 H HIS A 628 -6.658 -0.212 6.407 1.00 50.54 H new ATOM 0 HA HIS A 628 -9.341 -0.393 7.238 1.00 71.12 H new ATOM 0 HB2 HIS A 628 -6.899 1.182 7.973 1.00 0.20 H new ATOM 0 HB3 HIS A 628 -8.440 1.783 8.553 1.00 0.20 H new ATOM 0 HD2 HIS A 628 -7.478 1.003 11.169 1.00 51.44 H new ATOM 0 HE1 HIS A 628 -8.105 -3.136 10.484 1.00 4.11 H new ATOM 0 HE2 HIS A 628 -7.624 -1.366 12.249 1.00 73.31 H new ATOM 1045 N THR A 629 -8.641 2.080 5.250 1.00 32.32 N ATOM 1046 CA THR A 629 -9.211 3.181 4.483 1.00 20.23 C ATOM 1047 C THR A 629 -10.222 2.673 3.462 1.00 13.42 C ATOM 1048 O THR A 629 -11.172 3.375 3.113 1.00 30.14 O ATOM 1049 CB THR A 629 -8.116 3.981 3.752 1.00 2.52 C ATOM 1050 OG1 THR A 629 -7.392 4.788 4.687 1.00 4.45 O ATOM 1051 CG2 THR A 629 -8.723 4.867 2.674 1.00 2.40 C ATOM 0 H THR A 629 -7.699 1.811 4.965 1.00 32.32 H new ATOM 0 HA THR A 629 -9.715 3.836 5.194 1.00 20.23 H new ATOM 0 HB THR A 629 -7.435 3.274 3.279 1.00 2.52 H new ATOM 0 HG1 THR A 629 -6.722 4.238 5.144 1.00 4.45 H new ATOM 0 HG21 THR A 629 -7.931 5.422 2.171 1.00 2.40 H new ATOM 0 HG22 THR A 629 -9.249 4.248 1.948 1.00 2.40 H new ATOM 0 HG23 THR A 629 -9.424 5.566 3.130 1.00 2.40 H new ATOM 1059 N ALA A 630 -10.013 1.451 2.986 1.00 42.03 N ATOM 1060 CA ALA A 630 -10.909 0.849 2.006 1.00 61.31 C ATOM 1061 C ALA A 630 -12.354 0.876 2.493 1.00 24.33 C ATOM 1062 O ALA A 630 -13.258 1.279 1.762 1.00 4.35 O ATOM 1063 CB ALA A 630 -10.478 -0.580 1.704 1.00 73.35 C ATOM 0 H ALA A 630 -9.231 0.858 3.263 1.00 42.03 H new ATOM 0 HA ALA A 630 -10.851 1.436 1.089 1.00 61.31 H new ATOM 0 HB1 ALA A 630 -11.156 -1.017 0.971 1.00 73.35 H new ATOM 0 HB2 ALA A 630 -9.464 -0.577 1.304 1.00 73.35 H new ATOM 0 HB3 ALA A 630 -10.505 -1.170 2.620 1.00 73.35 H new ATOM 1069 N SER A 631 -12.563 0.444 3.733 1.00 21.31 N ATOM 1070 CA SER A 631 -13.899 0.415 4.317 1.00 5.23 C ATOM 1071 C SER A 631 -13.897 -0.344 5.641 1.00 52.32 C ATOM 1072 O SER A 631 -14.462 -1.432 5.746 1.00 20.53 O ATOM 1073 CB SER A 631 -14.888 -0.235 3.347 1.00 12.42 C ATOM 1074 OG SER A 631 -15.621 0.746 2.633 1.00 73.40 O ATOM 0 H SER A 631 -11.825 0.110 4.352 1.00 21.31 H new ATOM 0 HA SER A 631 -14.208 1.443 4.507 1.00 5.23 H new ATOM 0 HB2 SER A 631 -14.349 -0.873 2.646 1.00 12.42 H new ATOM 0 HB3 SER A 631 -15.575 -0.877 3.899 1.00 12.42 H new ATOM 0 HG SER A 631 -15.025 1.208 2.006 1.00 73.40 H new ATOM 1079 N ILE A 632 -13.258 0.240 6.648 1.00 74.34 N ATOM 1080 CA ILE A 632 -13.182 -0.377 7.966 1.00 0.32 C ATOM 1081 C ILE A 632 -13.737 0.551 9.041 1.00 60.42 C ATOM 1082 O ILE A 632 -14.828 0.329 9.564 1.00 62.24 O ATOM 1083 CB ILE A 632 -11.734 -0.757 8.328 1.00 42.25 C ATOM 1084 CG1 ILE A 632 -11.332 -2.054 7.622 1.00 53.43 C ATOM 1085 CG2 ILE A 632 -11.586 -0.900 9.835 1.00 23.15 C ATOM 1086 CD1 ILE A 632 -11.326 -1.943 6.113 1.00 33.30 C ATOM 0 H ILE A 632 -12.785 1.141 6.576 1.00 74.34 H new ATOM 0 HA ILE A 632 -13.787 -1.283 7.925 1.00 0.32 H new ATOM 0 HB ILE A 632 -11.070 0.039 7.991 1.00 42.25 H new ATOM 0 HG12 ILE A 632 -10.339 -2.350 7.961 1.00 53.43 H new ATOM 0 HG13 ILE A 632 -12.019 -2.847 7.917 1.00 53.43 H new ATOM 0 HG21 ILE A 632 -10.557 -1.169 10.076 1.00 23.15 H new ATOM 0 HG22 ILE A 632 -11.836 0.045 10.316 1.00 23.15 H new ATOM 0 HG23 ILE A 632 -12.258 -1.679 10.194 1.00 23.15 H new ATOM 0 HD11 ILE A 632 -11.032 -2.899 5.679 1.00 33.30 H new ATOM 0 HD12 ILE A 632 -12.324 -1.677 5.764 1.00 33.30 H new ATOM 0 HD13 ILE A 632 -10.618 -1.173 5.808 1.00 33.30 H new ATOM 1097 N ALA A 633 -12.977 1.592 9.366 1.00 14.21 N ATOM 1098 CA ALA A 633 -13.394 2.556 10.375 1.00 32.31 C ATOM 1099 C ALA A 633 -13.872 3.853 9.732 1.00 34.41 C ATOM 1100 O ALA A 633 -13.403 4.257 8.667 1.00 2.24 O ATOM 1101 CB ALA A 633 -12.252 2.835 11.343 1.00 42.41 C ATOM 0 H ALA A 633 -12.069 1.789 8.945 1.00 14.21 H new ATOM 0 HA ALA A 633 -14.229 2.126 10.928 1.00 32.31 H new ATOM 0 HB1 ALA A 633 -12.578 3.557 12.092 1.00 42.41 H new ATOM 0 HB2 ALA A 633 -11.959 1.908 11.836 1.00 42.41 H new ATOM 0 HB3 ALA A 633 -11.401 3.239 10.795 1.00 42.41 H new ATOM 1210 N PRO A 641 -8.739 12.472 -1.966 1.00 43.04 N ATOM 1211 CA PRO A 641 -8.721 11.608 -3.150 1.00 55.33 C ATOM 1212 C PRO A 641 -8.028 10.276 -2.886 1.00 11.44 C ATOM 1213 O PRO A 641 -6.850 10.238 -2.532 1.00 33.33 O ATOM 1214 CB PRO A 641 -7.933 12.429 -4.175 1.00 2.41 C ATOM 1215 CG PRO A 641 -7.070 13.326 -3.357 1.00 52.31 C ATOM 1216 CD PRO A 641 -7.859 13.642 -2.117 1.00 22.41 C ATOM 0 HA PRO A 641 -9.726 11.343 -3.477 1.00 55.33 H new ATOM 0 HB2 PRO A 641 -7.336 11.787 -4.822 1.00 2.41 H new ATOM 0 HB3 PRO A 641 -8.599 13.001 -4.821 1.00 2.41 H new ATOM 0 HG2 PRO A 641 -6.128 12.839 -3.106 1.00 52.31 H new ATOM 0 HG3 PRO A 641 -6.823 14.235 -3.905 1.00 52.31 H new ATOM 0 HD2 PRO A 641 -7.211 13.772 -1.250 1.00 22.41 H new ATOM 0 HD3 PRO A 641 -8.431 14.563 -2.228 1.00 22.41 H new ATOM 1221 N VAL A 642 -8.766 9.184 -3.063 1.00 35.22 N ATOM 1222 CA VAL A 642 -8.222 7.850 -2.845 1.00 34.34 C ATOM 1223 C VAL A 642 -8.604 6.909 -3.982 1.00 45.14 C ATOM 1224 O VAL A 642 -9.766 6.815 -4.379 1.00 74.42 O ATOM 1225 CB VAL A 642 -8.710 7.254 -1.512 1.00 71.42 C ATOM 1226 CG1 VAL A 642 -10.193 7.531 -1.316 1.00 21.41 C ATOM 1227 CG2 VAL A 642 -8.427 5.761 -1.460 1.00 42.21 C ATOM 0 H VAL A 642 -9.743 9.198 -3.357 1.00 35.22 H new ATOM 0 HA VAL A 642 -7.137 7.952 -2.811 1.00 34.34 H new ATOM 0 HB VAL A 642 -8.164 7.732 -0.699 1.00 71.42 H new ATOM 0 HG11 VAL A 642 -10.521 7.103 -0.369 1.00 21.41 H new ATOM 0 HG12 VAL A 642 -10.364 8.607 -1.306 1.00 21.41 H new ATOM 0 HG13 VAL A 642 -10.758 7.082 -2.133 1.00 21.41 H new ATOM 0 HG21 VAL A 642 -8.779 5.357 -0.511 1.00 42.21 H new ATOM 0 HG22 VAL A 642 -8.945 5.264 -2.280 1.00 42.21 H new ATOM 0 HG23 VAL A 642 -7.354 5.591 -1.552 1.00 42.21 H new ATOM 1237 N PRO A 643 -7.606 6.192 -4.518 1.00 22.12 N ATOM 1238 CA PRO A 643 -7.814 5.242 -5.616 1.00 53.23 C ATOM 1239 C PRO A 643 -8.594 4.008 -5.175 1.00 61.14 C ATOM 1240 O PRO A 643 -8.243 3.362 -4.188 1.00 51.33 O ATOM 1241 CB PRO A 643 -6.391 4.857 -6.027 1.00 72.34 C ATOM 1242 CG PRO A 643 -5.570 5.084 -4.804 1.00 11.31 C ATOM 1243 CD PRO A 643 -6.197 6.252 -4.095 1.00 23.01 C ATOM 0 HA PRO A 643 -8.403 5.676 -6.424 1.00 53.23 H new ATOM 0 HB2 PRO A 643 -6.340 3.818 -6.351 1.00 72.34 H new ATOM 0 HB3 PRO A 643 -6.040 5.468 -6.859 1.00 72.34 H new ATOM 0 HG2 PRO A 643 -5.564 4.199 -4.168 1.00 11.31 H new ATOM 0 HG3 PRO A 643 -4.533 5.296 -5.064 1.00 11.31 H new ATOM 0 HD2 PRO A 643 -6.098 6.165 -3.013 1.00 23.01 H new ATOM 0 HD3 PRO A 643 -5.731 7.194 -4.383 1.00 23.01 H new ATOM 1248 N GLN A 644 -9.652 3.688 -5.913 1.00 72.20 N ATOM 1249 CA GLN A 644 -10.481 2.531 -5.597 1.00 63.14 C ATOM 1250 C GLN A 644 -9.790 1.237 -6.010 1.00 22.15 C ATOM 1251 O GLN A 644 -10.095 0.164 -5.488 1.00 12.34 O ATOM 1252 CB GLN A 644 -11.838 2.644 -6.294 1.00 41.14 C ATOM 1253 CG GLN A 644 -12.934 1.828 -5.628 1.00 62.35 C ATOM 1254 CD GLN A 644 -14.262 1.932 -6.351 1.00 54.51 C ATOM 1255 OE1 GLN A 644 -14.408 1.455 -7.477 1.00 12.14 O ATOM 1256 NE2 GLN A 644 -15.240 2.559 -5.707 1.00 34.03 N ATOM 0 H GLN A 644 -9.955 4.213 -6.733 1.00 72.20 H new ATOM 0 HA GLN A 644 -10.635 2.510 -4.518 1.00 63.14 H new ATOM 0 HB2 GLN A 644 -12.139 3.691 -6.317 1.00 41.14 H new ATOM 0 HB3 GLN A 644 -11.733 2.320 -7.329 1.00 41.14 H new ATOM 0 HG2 GLN A 644 -12.629 0.783 -5.586 1.00 62.35 H new ATOM 0 HG3 GLN A 644 -13.058 2.165 -4.599 1.00 62.35 H new ATOM 0 HE21 GLN A 644 -15.075 2.939 -4.775 1.00 34.03 H new ATOM 0 HE22 GLN A 644 -16.156 2.660 -6.145 1.00 34.03 H new ATOM 1263 N ASP A 645 -8.858 1.343 -6.952 1.00 74.53 N ATOM 1264 CA ASP A 645 -8.122 0.181 -7.435 1.00 31.11 C ATOM 1265 C ASP A 645 -7.155 -0.331 -6.372 1.00 43.55 C ATOM 1266 O ASP A 645 -6.934 -1.536 -6.248 1.00 34.44 O ATOM 1267 CB ASP A 645 -7.357 0.531 -8.712 1.00 71.32 C ATOM 1268 CG ASP A 645 -6.816 -0.697 -9.417 1.00 1.55 C ATOM 1269 OD1 ASP A 645 -6.917 -1.802 -8.845 1.00 22.35 O ATOM 1270 OD2 ASP A 645 -6.290 -0.553 -10.541 1.00 42.03 O ATOM 0 H ASP A 645 -8.595 2.223 -7.396 1.00 74.53 H new ATOM 0 HA ASP A 645 -8.841 -0.608 -7.656 1.00 31.11 H new ATOM 0 HB2 ASP A 645 -8.016 1.075 -9.389 1.00 71.32 H new ATOM 0 HB3 ASP A 645 -6.531 1.199 -8.466 1.00 71.32 H new ATOM 1274 N LEU A 646 -6.582 0.591 -5.607 1.00 53.32 N ATOM 1275 CA LEU A 646 -5.638 0.234 -4.554 1.00 0.23 C ATOM 1276 C LEU A 646 -6.366 -0.331 -3.339 1.00 51.34 C ATOM 1277 O LEU A 646 -6.014 -1.396 -2.830 1.00 22.43 O ATOM 1278 CB LEU A 646 -4.812 1.455 -4.146 1.00 2.12 C ATOM 1279 CG LEU A 646 -3.956 2.084 -5.246 1.00 12.02 C ATOM 1280 CD1 LEU A 646 -3.037 3.147 -4.665 1.00 14.54 C ATOM 1281 CD2 LEU A 646 -3.149 1.015 -5.970 1.00 15.42 C ATOM 0 H LEU A 646 -6.755 1.592 -5.696 1.00 53.32 H new ATOM 0 HA LEU A 646 -4.970 -0.534 -4.944 1.00 0.23 H new ATOM 0 HB2 LEU A 646 -5.491 2.216 -3.762 1.00 2.12 H new ATOM 0 HB3 LEU A 646 -4.157 1.167 -3.323 1.00 2.12 H new ATOM 0 HG LEU A 646 -4.619 2.562 -5.968 1.00 12.02 H new ATOM 0 HD11 LEU A 646 -2.436 3.583 -5.462 1.00 14.54 H new ATOM 0 HD12 LEU A 646 -3.635 3.927 -4.193 1.00 14.54 H new ATOM 0 HD13 LEU A 646 -2.381 2.694 -3.922 1.00 14.54 H new ATOM 0 HD21 LEU A 646 -2.546 1.480 -6.750 1.00 15.42 H new ATOM 0 HD22 LEU A 646 -2.496 0.509 -5.259 1.00 15.42 H new ATOM 0 HD23 LEU A 646 -3.827 0.290 -6.420 1.00 15.42 H new ATOM 1292 N LEU A 647 -7.384 0.388 -2.879 1.00 20.21 N ATOM 1293 CA LEU A 647 -8.164 -0.042 -1.724 1.00 62.20 C ATOM 1294 C LEU A 647 -8.726 -1.444 -1.937 1.00 13.02 C ATOM 1295 O LEU A 647 -8.696 -2.280 -1.034 1.00 0.11 O ATOM 1296 CB LEU A 647 -9.305 0.942 -1.459 1.00 61.42 C ATOM 1297 CG LEU A 647 -8.891 2.343 -1.007 1.00 75.52 C ATOM 1298 CD1 LEU A 647 -10.115 3.172 -0.651 1.00 51.23 C ATOM 1299 CD2 LEU A 647 -7.937 2.263 0.176 1.00 64.21 C ATOM 0 H LEU A 647 -7.688 1.271 -3.288 1.00 20.21 H new ATOM 0 HA LEU A 647 -7.502 -0.064 -0.858 1.00 62.20 H new ATOM 0 HB2 LEU A 647 -9.896 1.036 -2.370 1.00 61.42 H new ATOM 0 HB3 LEU A 647 -9.958 0.514 -0.698 1.00 61.42 H new ATOM 0 HG LEU A 647 -8.373 2.831 -1.833 1.00 75.52 H new ATOM 0 HD11 LEU A 647 -9.801 4.166 -0.332 1.00 51.23 H new ATOM 0 HD12 LEU A 647 -10.762 3.259 -1.524 1.00 51.23 H new ATOM 0 HD13 LEU A 647 -10.661 2.686 0.158 1.00 51.23 H new ATOM 0 HD21 LEU A 647 -7.653 3.270 0.483 1.00 64.21 H new ATOM 0 HD22 LEU A 647 -8.428 1.755 1.006 1.00 64.21 H new ATOM 0 HD23 LEU A 647 -7.045 1.707 -0.113 1.00 64.21 H new ATOM 1310 N ASP A 648 -9.236 -1.694 -3.138 1.00 11.14 N ATOM 1311 CA ASP A 648 -9.802 -2.996 -3.472 1.00 34.04 C ATOM 1312 C ASP A 648 -8.728 -4.080 -3.438 1.00 43.43 C ATOM 1313 O ASP A 648 -8.927 -5.145 -2.853 1.00 1.21 O ATOM 1314 CB ASP A 648 -10.456 -2.951 -4.854 1.00 25.24 C ATOM 1315 CG ASP A 648 -11.332 -4.160 -5.119 1.00 64.34 C ATOM 1316 OD1 ASP A 648 -11.271 -5.123 -4.325 1.00 51.14 O ATOM 1317 OD2 ASP A 648 -12.079 -4.144 -6.119 1.00 5.33 O ATOM 0 H ASP A 648 -9.269 -1.013 -3.896 1.00 11.14 H new ATOM 0 HA ASP A 648 -10.560 -3.238 -2.727 1.00 34.04 H new ATOM 0 HB2 ASP A 648 -11.056 -2.045 -4.940 1.00 25.24 H new ATOM 0 HB3 ASP A 648 -9.681 -2.893 -5.618 1.00 25.24 H new ATOM 1321 N ARG A 649 -7.593 -3.801 -4.068 1.00 70.11 N ATOM 1322 CA ARG A 649 -6.489 -4.753 -4.111 1.00 54.51 C ATOM 1323 C ARG A 649 -5.931 -5.001 -2.714 1.00 11.14 C ATOM 1324 O ARG A 649 -5.551 -6.123 -2.376 1.00 53.05 O ATOM 1325 CB ARG A 649 -5.381 -4.240 -5.032 1.00 54.31 C ATOM 1326 CG ARG A 649 -5.638 -4.511 -6.505 1.00 41.21 C ATOM 1327 CD ARG A 649 -4.387 -4.284 -7.340 1.00 61.11 C ATOM 1328 NE ARG A 649 -4.645 -4.452 -8.768 1.00 14.24 N ATOM 1329 CZ ARG A 649 -3.684 -4.583 -9.677 1.00 44.04 C ATOM 1330 NH1 ARG A 649 -2.411 -4.567 -9.309 1.00 61.33 N ATOM 1331 NH2 ARG A 649 -3.999 -4.732 -10.958 1.00 34.51 N ATOM 0 H ARG A 649 -7.413 -2.924 -4.556 1.00 70.11 H new ATOM 0 HA ARG A 649 -6.870 -5.696 -4.503 1.00 54.51 H new ATOM 0 HB2 ARG A 649 -5.265 -3.166 -4.884 1.00 54.31 H new ATOM 0 HB3 ARG A 649 -4.438 -4.705 -4.745 1.00 54.31 H new ATOM 0 HG2 ARG A 649 -5.981 -5.538 -6.633 1.00 41.21 H new ATOM 0 HG3 ARG A 649 -6.437 -3.862 -6.861 1.00 41.21 H new ATOM 0 HD2 ARG A 649 -4.006 -3.280 -7.156 1.00 61.11 H new ATOM 0 HD3 ARG A 649 -3.611 -4.982 -7.027 1.00 61.11 H new ATOM 0 HE ARG A 649 -5.614 -4.470 -9.085 1.00 14.24 H new ATOM 0 HH11 ARG A 649 -2.166 -4.454 -8.325 1.00 61.33 H new ATOM 0 HH12 ARG A 649 -1.676 -4.668 -10.009 1.00 61.33 H new ATOM 0 HH21 ARG A 649 -4.978 -4.746 -11.244 1.00 34.51 H new ATOM 0 HH22 ARG A 649 -3.262 -4.833 -11.656 1.00 34.51 H new ATOM 1342 N VAL A 650 -5.882 -3.947 -1.905 1.00 40.12 N ATOM 1343 CA VAL A 650 -5.371 -4.051 -0.544 1.00 33.11 C ATOM 1344 C VAL A 650 -6.141 -5.095 0.255 1.00 31.12 C ATOM 1345 O VAL A 650 -5.548 -5.970 0.889 1.00 50.32 O ATOM 1346 CB VAL A 650 -5.449 -2.698 0.189 1.00 2.30 C ATOM 1347 CG1 VAL A 650 -5.177 -2.880 1.675 1.00 13.13 C ATOM 1348 CG2 VAL A 650 -4.474 -1.704 -0.422 1.00 1.31 C ATOM 0 H VAL A 650 -6.190 -3.011 -2.169 1.00 40.12 H new ATOM 0 HA VAL A 650 -4.327 -4.355 -0.620 1.00 33.11 H new ATOM 0 HB VAL A 650 -6.457 -2.300 0.074 1.00 2.30 H new ATOM 0 HG11 VAL A 650 -5.236 -1.914 2.177 1.00 13.13 H new ATOM 0 HG12 VAL A 650 -5.919 -3.556 2.101 1.00 13.13 H new ATOM 0 HG13 VAL A 650 -4.181 -3.300 1.814 1.00 13.13 H new ATOM 0 HG21 VAL A 650 -4.543 -0.754 0.108 1.00 1.31 H new ATOM 0 HG22 VAL A 650 -3.459 -2.093 -0.340 1.00 1.31 H new ATOM 0 HG23 VAL A 650 -4.720 -1.552 -1.473 1.00 1.31 H new ATOM 1358 N LEU A 651 -7.466 -4.999 0.221 1.00 1.42 N ATOM 1359 CA LEU A 651 -8.319 -5.937 0.942 1.00 43.11 C ATOM 1360 C LEU A 651 -8.121 -7.359 0.429 1.00 23.52 C ATOM 1361 O LEU A 651 -8.147 -8.317 1.201 1.00 24.33 O ATOM 1362 CB LEU A 651 -9.788 -5.533 0.800 1.00 32.41 C ATOM 1363 CG LEU A 651 -10.364 -4.687 1.936 1.00 33.52 C ATOM 1364 CD1 LEU A 651 -9.447 -3.513 2.246 1.00 43.33 C ATOM 1365 CD2 LEU A 651 -11.760 -4.196 1.581 1.00 62.35 C ATOM 0 H LEU A 651 -7.972 -4.281 -0.298 1.00 1.42 H new ATOM 0 HA LEU A 651 -8.039 -5.908 1.995 1.00 43.11 H new ATOM 0 HB2 LEU A 651 -9.904 -4.980 -0.132 1.00 32.41 H new ATOM 0 HB3 LEU A 651 -10.386 -6.440 0.710 1.00 32.41 H new ATOM 0 HG LEU A 651 -10.436 -5.311 2.827 1.00 33.52 H new ATOM 0 HD11 LEU A 651 -9.873 -2.922 3.057 1.00 43.33 H new ATOM 0 HD12 LEU A 651 -8.467 -3.886 2.545 1.00 43.33 H new ATOM 0 HD13 LEU A 651 -9.343 -2.889 1.359 1.00 43.33 H new ATOM 0 HD21 LEU A 651 -12.154 -3.596 2.401 1.00 62.35 H new ATOM 0 HD22 LEU A 651 -11.713 -3.589 0.677 1.00 62.35 H new ATOM 0 HD23 LEU A 651 -12.414 -5.051 1.410 1.00 62.35 H new ATOM 1376 N ALA A 652 -7.919 -7.489 -0.878 1.00 65.32 N ATOM 1377 CA ALA A 652 -7.711 -8.794 -1.493 1.00 42.24 C ATOM 1378 C ALA A 652 -6.564 -9.541 -0.821 1.00 43.14 C ATOM 1379 O ALA A 652 -6.711 -10.698 -0.425 1.00 55.23 O ATOM 1380 CB ALA A 652 -7.441 -8.639 -2.982 1.00 1.20 C ATOM 0 H ALA A 652 -7.895 -6.706 -1.531 1.00 65.32 H new ATOM 0 HA ALA A 652 -8.620 -9.380 -1.359 1.00 42.24 H new ATOM 0 HB1 ALA A 652 -7.288 -9.622 -3.428 1.00 1.20 H new ATOM 0 HB2 ALA A 652 -8.293 -8.154 -3.458 1.00 1.20 H new ATOM 0 HB3 ALA A 652 -6.549 -8.031 -3.129 1.00 1.20 H new ATOM 1386 N ALA A 653 -5.421 -8.874 -0.696 1.00 41.14 N ATOM 1387 CA ALA A 653 -4.250 -9.475 -0.071 1.00 51.22 C ATOM 1388 C ALA A 653 -4.398 -9.516 1.447 1.00 10.25 C ATOM 1389 O ALA A 653 -4.098 -10.527 2.082 1.00 74.43 O ATOM 1390 CB ALA A 653 -2.994 -8.710 -0.460 1.00 72.32 C ATOM 0 H ALA A 653 -5.282 -7.917 -1.020 1.00 41.14 H new ATOM 0 HA ALA A 653 -4.163 -10.501 -0.429 1.00 51.22 H new ATOM 0 HB1 ALA A 653 -2.127 -9.170 0.014 1.00 72.32 H new ATOM 0 HB2 ALA A 653 -2.873 -8.737 -1.543 1.00 72.32 H new ATOM 0 HB3 ALA A 653 -3.082 -7.675 -0.130 1.00 72.32 H new ATOM 1396 N HIS A 654 -4.862 -8.411 2.022 1.00 13.32 N ATOM 1397 CA HIS A 654 -5.049 -8.321 3.465 1.00 64.24 C ATOM 1398 C HIS A 654 -5.923 -9.465 3.971 1.00 30.32 C ATOM 1399 O HIS A 654 -5.620 -10.086 4.990 1.00 61.32 O ATOM 1400 CB HIS A 654 -5.681 -6.979 3.836 1.00 64.40 C ATOM 1401 CG HIS A 654 -6.068 -6.878 5.279 1.00 64.35 C ATOM 1402 ND1 HIS A 654 -5.210 -6.424 6.259 1.00 73.22 N ATOM 1403 CD2 HIS A 654 -7.230 -7.174 5.907 1.00 43.33 C ATOM 1404 CE1 HIS A 654 -5.827 -6.446 7.427 1.00 43.23 C ATOM 1405 NE2 HIS A 654 -7.054 -6.898 7.241 1.00 73.01 N ATOM 0 H HIS A 654 -5.115 -7.566 1.510 1.00 13.32 H new ATOM 0 HA HIS A 654 -4.070 -8.397 3.939 1.00 64.24 H new ATOM 0 HB2 HIS A 654 -4.980 -6.179 3.600 1.00 64.40 H new ATOM 0 HB3 HIS A 654 -6.566 -6.820 3.219 1.00 64.40 H new ATOM 0 HD1 HIS A 654 -4.249 -6.119 6.106 1.00 73.22 H new ATOM 0 HD2 HIS A 654 -8.128 -7.556 5.445 1.00 43.33 H new ATOM 0 HE1 HIS A 654 -5.401 -6.146 8.373 1.00 43.23 H new ATOM 1412 N ALA A 655 -7.008 -9.737 3.254 1.00 33.05 N ATOM 1413 CA ALA A 655 -7.924 -10.806 3.630 1.00 45.22 C ATOM 1414 C ALA A 655 -7.358 -12.172 3.254 1.00 3.23 C ATOM 1415 O ALA A 655 -7.376 -13.105 4.057 1.00 11.10 O ATOM 1416 CB ALA A 655 -9.280 -10.596 2.972 1.00 11.22 C ATOM 0 H ALA A 655 -7.274 -9.231 2.409 1.00 33.05 H new ATOM 0 HA ALA A 655 -8.049 -10.779 4.712 1.00 45.22 H new ATOM 0 HB1 ALA A 655 -9.954 -11.402 3.262 1.00 11.22 H new ATOM 0 HB2 ALA A 655 -9.697 -9.641 3.294 1.00 11.22 H new ATOM 0 HB3 ALA A 655 -9.162 -10.594 1.888 1.00 11.22 H new ATOM 1422 N TYR A 656 -6.857 -12.283 2.029 1.00 53.23 N ATOM 1423 CA TYR A 656 -6.289 -13.535 1.545 1.00 21.40 C ATOM 1424 C TYR A 656 -5.214 -14.049 2.498 1.00 2.42 C ATOM 1425 O TYR A 656 -5.233 -15.211 2.904 1.00 3.24 O ATOM 1426 CB TYR A 656 -5.699 -13.345 0.147 1.00 22.22 C ATOM 1427 CG TYR A 656 -4.934 -14.549 -0.356 1.00 41.32 C ATOM 1428 CD1 TYR A 656 -5.598 -15.634 -0.916 1.00 2.23 C ATOM 1429 CD2 TYR A 656 -3.548 -14.602 -0.272 1.00 13.30 C ATOM 1430 CE1 TYR A 656 -4.903 -16.736 -1.376 1.00 61.34 C ATOM 1431 CE2 TYR A 656 -2.845 -15.699 -0.731 1.00 41.22 C ATOM 1432 CZ TYR A 656 -3.527 -16.763 -1.281 1.00 4.42 C ATOM 1433 OH TYR A 656 -2.832 -17.859 -1.740 1.00 41.44 O ATOM 0 H TYR A 656 -6.833 -11.520 1.352 1.00 53.23 H new ATOM 0 HA TYR A 656 -7.089 -14.273 1.496 1.00 21.40 H new ATOM 0 HB2 TYR A 656 -6.505 -13.120 -0.551 1.00 22.22 H new ATOM 0 HB3 TYR A 656 -5.035 -12.481 0.156 1.00 22.22 H new ATOM 0 HD1 TYR A 656 -6.675 -15.615 -0.993 1.00 2.23 H new ATOM 0 HD2 TYR A 656 -3.011 -13.771 0.160 1.00 13.30 H new ATOM 0 HE1 TYR A 656 -5.434 -17.572 -1.808 1.00 61.34 H new ATOM 0 HE2 TYR A 656 -1.768 -15.723 -0.659 1.00 41.22 H new ATOM 0 HH TYR A 656 -1.872 -17.719 -1.601 1.00 41.44 H new ATOM 1442 N TRP A 657 -4.279 -13.175 2.850 1.00 71.01 N ATOM 1443 CA TRP A 657 -3.195 -13.539 3.756 1.00 35.43 C ATOM 1444 C TRP A 657 -3.711 -13.717 5.180 1.00 3.31 C ATOM 1445 O TRP A 657 -3.214 -14.557 5.929 1.00 73.50 O ATOM 1446 CB TRP A 657 -2.100 -12.472 3.729 1.00 34.24 C ATOM 1447 CG TRP A 657 -1.398 -12.374 2.407 1.00 54.45 C ATOM 1448 CD1 TRP A 657 -1.351 -11.285 1.584 1.00 11.44 C ATOM 1449 CD2 TRP A 657 -0.647 -13.405 1.758 1.00 53.22 C ATOM 1450 NE1 TRP A 657 -0.616 -11.578 0.460 1.00 30.31 N ATOM 1451 CE2 TRP A 657 -0.171 -12.871 0.544 1.00 13.44 C ATOM 1452 CE3 TRP A 657 -0.328 -14.726 2.084 1.00 74.31 C ATOM 1453 CZ2 TRP A 657 0.604 -13.614 -0.343 1.00 24.42 C ATOM 1454 CZ3 TRP A 657 0.442 -15.461 1.203 1.00 20.30 C ATOM 1455 CH2 TRP A 657 0.902 -14.904 0.003 1.00 2.45 C ATOM 0 H TRP A 657 -4.249 -12.209 2.522 1.00 71.01 H new ATOM 0 HA TRP A 657 -2.778 -14.488 3.419 1.00 35.43 H new ATOM 0 HB2 TRP A 657 -2.539 -11.504 3.972 1.00 34.24 H new ATOM 0 HB3 TRP A 657 -1.368 -12.693 4.506 1.00 34.24 H new ATOM 0 HD1 TRP A 657 -1.822 -10.334 1.786 1.00 11.44 H new ATOM 0 HE1 TRP A 657 -0.432 -10.937 -0.312 1.00 30.31 H new ATOM 0 HE3 TRP A 657 -0.677 -15.164 3.007 1.00 74.31 H new ATOM 0 HZ2 TRP A 657 0.957 -13.188 -1.270 1.00 24.42 H new ATOM 0 HZ3 TRP A 657 0.694 -16.483 1.444 1.00 20.30 H new ATOM 0 HH2 TRP A 657 1.504 -15.505 -0.663 1.00 2.45 H new ATOM 1465 N SER A 658 -4.713 -12.924 5.544 1.00 62.42 N ATOM 1466 CA SER A 658 -5.295 -12.993 6.880 1.00 60.10 C ATOM 1467 C SER A 658 -5.798 -14.401 7.182 1.00 0.10 C ATOM 1468 O SER A 658 -5.789 -14.841 8.331 1.00 22.00 O ATOM 1469 CB SER A 658 -6.443 -11.991 7.011 1.00 73.04 C ATOM 1470 OG SER A 658 -5.992 -10.769 7.570 1.00 74.33 O ATOM 0 H SER A 658 -5.139 -12.227 4.934 1.00 62.42 H new ATOM 0 HA SER A 658 -4.517 -12.741 7.601 1.00 60.10 H new ATOM 0 HB2 SER A 658 -6.882 -11.806 6.031 1.00 73.04 H new ATOM 0 HB3 SER A 658 -7.229 -12.413 7.638 1.00 73.04 H new ATOM 0 HG SER A 658 -5.754 -10.148 6.850 1.00 74.33 H new ATOM 1475 N GLN A 659 -6.234 -15.103 6.141 1.00 53.54 N ATOM 1476 CA GLN A 659 -6.742 -16.461 6.293 1.00 71.32 C ATOM 1477 C GLN A 659 -5.676 -17.376 6.886 1.00 70.33 C ATOM 1478 O GLN A 659 -5.987 -18.437 7.427 1.00 71.03 O ATOM 1479 CB GLN A 659 -7.209 -17.008 4.944 1.00 4.44 C ATOM 1480 CG GLN A 659 -8.099 -18.235 5.060 1.00 63.10 C ATOM 1481 CD GLN A 659 -8.591 -18.729 3.713 1.00 52.24 C ATOM 1482 OE1 GLN A 659 -8.244 -18.173 2.671 1.00 3.13 O ATOM 1483 NE2 GLN A 659 -9.405 -19.778 3.729 1.00 53.21 N ATOM 0 H GLN A 659 -6.246 -14.753 5.183 1.00 53.54 H new ATOM 0 HA GLN A 659 -7.591 -16.431 6.977 1.00 71.32 H new ATOM 0 HB2 GLN A 659 -7.750 -16.226 4.412 1.00 4.44 H new ATOM 0 HB3 GLN A 659 -6.336 -17.258 4.341 1.00 4.44 H new ATOM 0 HG2 GLN A 659 -7.547 -19.034 5.556 1.00 63.10 H new ATOM 0 HG3 GLN A 659 -8.956 -17.999 5.691 1.00 63.10 H new ATOM 0 HE21 GLN A 659 -9.666 -20.207 4.617 1.00 53.21 H new ATOM 0 HE22 GLN A 659 -9.769 -20.154 2.854 1.00 53.21 H new