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 Set 1.1: A 625 THR OG1 : rot 11:sc= 0.00931 USER MOD Set 1.2: A 628 HIS : no HD1:sc= -0.702 K(o=0.41,f=-1.6) USER MOD Set 1.3: A 629 THR OG1 : rot 79:sc= 1.1 USER MOD Single : A 581 SER OG : rot 30:sc= 0.478 USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0.0616 USER MOD Single : A 604 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0208) USER MOD Single : A 605 MET CE :methyl -165:sc= -0.0566 (180deg=-0.371) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 624 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0652) USER MOD Single : A 631 SER OG : rot 60:sc= 1.25 USER MOD Single : A 644 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 654 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= -0.0897 X(o=-0.09,f=0) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.941 9.895 -2.242 1.00 32.21 N ATOM 322 CA SER A 581 1.124 10.215 -3.407 1.00 22.51 C ATOM 323 C SER A 581 0.502 8.954 -3.998 1.00 11.42 C ATOM 324 O SER A 581 0.994 7.846 -3.783 1.00 5.05 O ATOM 325 CB SER A 581 1.966 10.927 -4.467 1.00 73.14 C ATOM 326 OG SER A 581 2.938 11.767 -3.868 1.00 2.13 O ATOM 0 HA SER A 581 0.321 10.878 -3.085 1.00 22.51 H new ATOM 0 HB2 SER A 581 2.459 10.189 -5.100 1.00 73.14 H new ATOM 0 HB3 SER A 581 1.318 11.519 -5.113 1.00 73.14 H new ATOM 0 HG SER A 581 3.199 11.397 -2.999 1.00 2.13 H new ATOM 331 N VAL A 582 -0.584 9.131 -4.745 1.00 44.42 N ATOM 332 CA VAL A 582 -1.273 8.007 -5.369 1.00 3.05 C ATOM 333 C VAL A 582 -0.308 7.156 -6.186 1.00 70.41 C ATOM 334 O VAL A 582 -0.416 5.931 -6.214 1.00 65.41 O ATOM 335 CB VAL A 582 -2.417 8.488 -6.281 1.00 71.11 C ATOM 336 CG1 VAL A 582 -3.107 7.304 -6.942 1.00 51.41 C ATOM 337 CG2 VAL A 582 -3.414 9.323 -5.491 1.00 12.40 C ATOM 0 H VAL A 582 -1.005 10.041 -4.932 1.00 44.42 H new ATOM 0 HA VAL A 582 -1.690 7.403 -4.563 1.00 3.05 H new ATOM 0 HB VAL A 582 -1.993 9.115 -7.065 1.00 71.11 H new ATOM 0 HG11 VAL A 582 -3.912 7.663 -7.582 1.00 51.41 H new ATOM 0 HG12 VAL A 582 -2.385 6.751 -7.543 1.00 51.41 H new ATOM 0 HG13 VAL A 582 -3.519 6.648 -6.175 1.00 51.41 H new ATOM 0 HG21 VAL A 582 -4.215 9.654 -6.152 1.00 12.40 H new ATOM 0 HG22 VAL A 582 -3.834 8.722 -4.684 1.00 12.40 H new ATOM 0 HG23 VAL A 582 -2.908 10.192 -5.070 1.00 12.40 H new ATOM 347 N ALA A 583 0.635 7.815 -6.852 1.00 4.52 N ATOM 348 CA ALA A 583 1.620 7.118 -7.669 1.00 43.33 C ATOM 349 C ALA A 583 2.630 6.376 -6.799 1.00 64.41 C ATOM 350 O ALA A 583 3.116 5.308 -7.170 1.00 32.15 O ATOM 351 CB ALA A 583 2.333 8.099 -8.587 1.00 54.14 C ATOM 0 H ALA A 583 0.737 8.830 -6.842 1.00 4.52 H new ATOM 0 HA ALA A 583 1.095 6.382 -8.278 1.00 43.33 H new ATOM 0 HB1 ALA A 583 3.066 7.565 -9.191 1.00 54.14 H new ATOM 0 HB2 ALA A 583 1.605 8.580 -9.240 1.00 54.14 H new ATOM 0 HB3 ALA A 583 2.839 8.856 -7.988 1.00 54.14 H new ATOM 357 N GLU A 584 2.940 6.950 -5.641 1.00 31.04 N ATOM 358 CA GLU A 584 3.893 6.343 -4.719 1.00 3.24 C ATOM 359 C GLU A 584 3.270 5.150 -4.000 1.00 65.13 C ATOM 360 O GLU A 584 3.796 4.037 -4.048 1.00 32.52 O ATOM 361 CB GLU A 584 4.375 7.373 -3.697 1.00 32.14 C ATOM 362 CG GLU A 584 5.001 8.607 -4.324 1.00 75.13 C ATOM 363 CD GLU A 584 6.028 9.264 -3.423 1.00 44.41 C ATOM 364 OE1 GLU A 584 7.113 8.676 -3.232 1.00 5.13 O ATOM 365 OE2 GLU A 584 5.746 10.367 -2.908 1.00 44.51 O ATOM 0 H GLU A 584 2.546 7.834 -5.319 1.00 31.04 H new ATOM 0 HA GLU A 584 4.746 5.991 -5.299 1.00 3.24 H new ATOM 0 HB2 GLU A 584 3.532 7.679 -3.077 1.00 32.14 H new ATOM 0 HB3 GLU A 584 5.103 6.903 -3.036 1.00 32.14 H new ATOM 0 HG2 GLU A 584 5.474 8.330 -5.266 1.00 75.13 H new ATOM 0 HG3 GLU A 584 4.217 9.327 -4.560 1.00 75.13 H new ATOM 370 N VAL A 585 2.145 5.390 -3.333 1.00 43.34 N ATOM 371 CA VAL A 585 1.449 4.336 -2.604 1.00 1.13 C ATOM 372 C VAL A 585 1.155 3.143 -3.508 1.00 14.22 C ATOM 373 O VAL A 585 1.145 1.999 -3.057 1.00 42.43 O ATOM 374 CB VAL A 585 0.127 4.849 -2.003 1.00 43.14 C ATOM 375 CG1 VAL A 585 -0.686 5.588 -3.056 1.00 2.15 C ATOM 376 CG2 VAL A 585 -0.672 3.696 -1.413 1.00 11.42 C ATOM 0 H VAL A 585 1.696 6.305 -3.283 1.00 43.34 H new ATOM 0 HA VAL A 585 2.109 4.021 -1.796 1.00 1.13 H new ATOM 0 HB VAL A 585 0.359 5.549 -1.200 1.00 43.14 H new ATOM 0 HG11 VAL A 585 -1.617 5.943 -2.614 1.00 2.15 H new ATOM 0 HG12 VAL A 585 -0.113 6.438 -3.428 1.00 2.15 H new ATOM 0 HG13 VAL A 585 -0.911 4.913 -3.882 1.00 2.15 H new ATOM 0 HG21 VAL A 585 -1.603 4.076 -0.993 1.00 11.42 H new ATOM 0 HG22 VAL A 585 -0.896 2.971 -2.195 1.00 11.42 H new ATOM 0 HG23 VAL A 585 -0.090 3.214 -0.628 1.00 11.42 H new ATOM 386 N GLU A 586 0.919 3.421 -4.786 1.00 23.33 N ATOM 387 CA GLU A 586 0.625 2.370 -5.753 1.00 71.00 C ATOM 388 C GLU A 586 1.657 1.250 -5.670 1.00 42.42 C ATOM 389 O GLU A 586 1.352 0.089 -5.938 1.00 62.43 O ATOM 390 CB GLU A 586 0.593 2.946 -7.170 1.00 61.03 C ATOM 391 CG GLU A 586 1.907 2.795 -7.917 1.00 53.55 C ATOM 392 CD GLU A 586 1.984 3.679 -9.147 1.00 63.03 C ATOM 393 OE1 GLU A 586 0.922 4.139 -9.615 1.00 42.32 O ATOM 394 OE2 GLU A 586 3.108 3.911 -9.642 1.00 60.25 O ATOM 0 H GLU A 586 0.926 4.364 -5.175 1.00 23.33 H new ATOM 0 HA GLU A 586 -0.354 1.955 -5.515 1.00 71.00 H new ATOM 0 HB2 GLU A 586 -0.196 2.452 -7.736 1.00 61.03 H new ATOM 0 HB3 GLU A 586 0.334 4.003 -7.118 1.00 61.03 H new ATOM 0 HG2 GLU A 586 2.732 3.039 -7.247 1.00 53.55 H new ATOM 0 HG3 GLU A 586 2.034 1.754 -8.214 1.00 53.55 H new ATOM 399 N ALA A 587 2.882 1.608 -5.296 1.00 62.45 N ATOM 400 CA ALA A 587 3.959 0.634 -5.176 1.00 71.23 C ATOM 401 C ALA A 587 3.815 -0.190 -3.901 1.00 12.22 C ATOM 402 O ALA A 587 4.041 -1.401 -3.903 1.00 14.24 O ATOM 403 CB ALA A 587 5.309 1.335 -5.205 1.00 4.20 C ATOM 0 H ALA A 587 3.152 2.566 -5.071 1.00 62.45 H new ATOM 0 HA ALA A 587 3.897 -0.047 -6.025 1.00 71.23 H new ATOM 0 HB1 ALA A 587 6.105 0.596 -5.114 1.00 4.20 H new ATOM 0 HB2 ALA A 587 5.419 1.873 -6.146 1.00 4.20 H new ATOM 0 HB3 ALA A 587 5.371 2.039 -4.375 1.00 4.20 H new ATOM 409 N LEU A 588 3.438 0.473 -2.813 1.00 74.32 N ATOM 410 CA LEU A 588 3.264 -0.197 -1.530 1.00 11.13 C ATOM 411 C LEU A 588 2.265 -1.343 -1.646 1.00 23.14 C ATOM 412 O LEU A 588 2.542 -2.468 -1.228 1.00 33.13 O ATOM 413 CB LEU A 588 2.793 0.801 -0.470 1.00 72.15 C ATOM 414 CG LEU A 588 2.991 0.377 0.986 1.00 42.12 C ATOM 415 CD1 LEU A 588 2.100 -0.809 1.322 1.00 52.31 C ATOM 416 CD2 LEU A 588 4.452 0.041 1.250 1.00 63.11 C ATOM 0 H LEU A 588 3.247 1.475 -2.794 1.00 74.32 H new ATOM 0 HA LEU A 588 4.228 -0.608 -1.229 1.00 11.13 H new ATOM 0 HB2 LEU A 588 3.318 1.743 -0.628 1.00 72.15 H new ATOM 0 HB3 LEU A 588 1.733 0.997 -0.630 1.00 72.15 H new ATOM 0 HG LEU A 588 2.709 1.211 1.629 1.00 42.12 H new ATOM 0 HD11 LEU A 588 2.254 -1.097 2.362 1.00 52.31 H new ATOM 0 HD12 LEU A 588 1.056 -0.534 1.173 1.00 52.31 H new ATOM 0 HD13 LEU A 588 2.350 -1.648 0.672 1.00 52.31 H new ATOM 0 HD21 LEU A 588 4.574 -0.259 2.291 1.00 63.11 H new ATOM 0 HD22 LEU A 588 4.761 -0.776 0.599 1.00 63.11 H new ATOM 0 HD23 LEU A 588 5.069 0.917 1.050 1.00 63.11 H new ATOM 427 N VAL A 589 1.101 -1.050 -2.216 1.00 65.41 N ATOM 428 CA VAL A 589 0.060 -2.057 -2.390 1.00 64.32 C ATOM 429 C VAL A 589 0.522 -3.169 -3.326 1.00 62.42 C ATOM 430 O VAL A 589 0.520 -4.343 -2.959 1.00 22.11 O ATOM 431 CB VAL A 589 -1.234 -1.436 -2.948 1.00 71.54 C ATOM 432 CG1 VAL A 589 -2.372 -2.445 -2.909 1.00 61.14 C ATOM 433 CG2 VAL A 589 -1.599 -0.179 -2.172 1.00 63.34 C ATOM 0 H VAL A 589 0.855 -0.124 -2.565 1.00 65.41 H new ATOM 0 HA VAL A 589 -0.143 -2.476 -1.404 1.00 64.32 H new ATOM 0 HB VAL A 589 -1.063 -1.158 -3.988 1.00 71.54 H new ATOM 0 HG11 VAL A 589 -3.278 -1.988 -3.307 1.00 61.14 H new ATOM 0 HG12 VAL A 589 -2.109 -3.314 -3.512 1.00 61.14 H new ATOM 0 HG13 VAL A 589 -2.546 -2.758 -1.879 1.00 61.14 H new ATOM 0 HG21 VAL A 589 -2.516 0.247 -2.580 1.00 63.34 H new ATOM 0 HG22 VAL A 589 -1.751 -0.431 -1.122 1.00 63.34 H new ATOM 0 HG23 VAL A 589 -0.792 0.549 -2.257 1.00 63.34 H new ATOM 443 N GLU A 590 0.917 -2.789 -4.537 1.00 23.10 N ATOM 444 CA GLU A 590 1.381 -3.755 -5.527 1.00 2.34 C ATOM 445 C GLU A 590 2.524 -4.598 -4.968 1.00 75.30 C ATOM 446 O GLU A 590 2.726 -5.740 -5.380 1.00 24.04 O ATOM 447 CB GLU A 590 1.835 -3.037 -6.799 1.00 61.10 C ATOM 448 CG GLU A 590 0.689 -2.621 -7.705 1.00 43.44 C ATOM 449 CD GLU A 590 1.153 -1.798 -8.891 1.00 52.00 C ATOM 450 OE1 GLU A 590 2.295 -2.008 -9.349 1.00 3.43 O ATOM 451 OE2 GLU A 590 0.374 -0.943 -9.361 1.00 70.51 O ATOM 0 H GLU A 590 0.925 -1.820 -4.856 1.00 23.10 H new ATOM 0 HA GLU A 590 0.550 -4.417 -5.771 1.00 2.34 H new ATOM 0 HB2 GLU A 590 2.408 -2.152 -6.522 1.00 61.10 H new ATOM 0 HB3 GLU A 590 2.507 -3.691 -7.355 1.00 61.10 H new ATOM 0 HG2 GLU A 590 0.173 -3.511 -8.065 1.00 43.44 H new ATOM 0 HG3 GLU A 590 -0.035 -2.045 -7.128 1.00 43.44 H new ATOM 456 N ALA A 591 3.270 -4.025 -4.030 1.00 42.21 N ATOM 457 CA ALA A 591 4.393 -4.723 -3.414 1.00 22.34 C ATOM 458 C ALA A 591 3.907 -5.771 -2.419 1.00 53.31 C ATOM 459 O ALA A 591 4.386 -6.905 -2.413 1.00 41.44 O ATOM 460 CB ALA A 591 5.319 -3.730 -2.729 1.00 41.21 C ATOM 0 H ALA A 591 3.118 -3.079 -3.679 1.00 42.21 H new ATOM 0 HA ALA A 591 4.947 -5.236 -4.200 1.00 22.34 H new ATOM 0 HB1 ALA A 591 6.153 -4.264 -2.274 1.00 41.21 H new ATOM 0 HB2 ALA A 591 5.700 -3.021 -3.464 1.00 41.21 H new ATOM 0 HB3 ALA A 591 4.768 -3.191 -1.958 1.00 41.21 H new ATOM 466 N VAL A 592 2.954 -5.385 -1.577 1.00 33.32 N ATOM 467 CA VAL A 592 2.403 -6.292 -0.577 1.00 15.43 C ATOM 468 C VAL A 592 1.468 -7.312 -1.215 1.00 20.31 C ATOM 469 O VAL A 592 1.278 -8.408 -0.690 1.00 42.42 O ATOM 470 CB VAL A 592 1.638 -5.523 0.517 1.00 10.32 C ATOM 471 CG1 VAL A 592 0.467 -4.762 -0.085 1.00 31.34 C ATOM 472 CG2 VAL A 592 1.163 -6.476 1.604 1.00 51.12 C ATOM 0 H VAL A 592 2.547 -4.450 -1.567 1.00 33.32 H new ATOM 0 HA VAL A 592 3.246 -6.812 -0.123 1.00 15.43 H new ATOM 0 HB VAL A 592 2.316 -4.800 0.970 1.00 10.32 H new ATOM 0 HG11 VAL A 592 -0.061 -4.225 0.703 1.00 31.34 H new ATOM 0 HG12 VAL A 592 0.836 -4.051 -0.824 1.00 31.34 H new ATOM 0 HG13 VAL A 592 -0.214 -5.464 -0.566 1.00 31.34 H new ATOM 0 HG21 VAL A 592 0.625 -5.916 2.369 1.00 51.12 H new ATOM 0 HG22 VAL A 592 0.501 -7.224 1.168 1.00 51.12 H new ATOM 0 HG23 VAL A 592 2.023 -6.971 2.055 1.00 51.12 H new ATOM 482 N GLU A 593 0.886 -6.942 -2.352 1.00 23.44 N ATOM 483 CA GLU A 593 -0.031 -7.827 -3.062 1.00 72.40 C ATOM 484 C GLU A 593 0.725 -8.969 -3.733 1.00 11.11 C ATOM 485 O GLU A 593 0.288 -10.120 -3.701 1.00 61.25 O ATOM 486 CB GLU A 593 -0.824 -7.041 -4.108 1.00 50.24 C ATOM 487 CG GLU A 593 -2.212 -6.635 -3.642 1.00 63.52 C ATOM 488 CD GLU A 593 -3.298 -7.547 -4.179 1.00 72.43 C ATOM 489 OE1 GLU A 593 -3.818 -7.266 -5.279 1.00 2.04 O ATOM 490 OE2 GLU A 593 -3.627 -8.542 -3.500 1.00 22.14 O ATOM 0 H GLU A 593 1.033 -6.038 -2.800 1.00 23.44 H new ATOM 0 HA GLU A 593 -0.723 -8.251 -2.335 1.00 72.40 H new ATOM 0 HB2 GLU A 593 -0.264 -6.145 -4.378 1.00 50.24 H new ATOM 0 HB3 GLU A 593 -0.915 -7.644 -5.011 1.00 50.24 H new ATOM 0 HG2 GLU A 593 -2.242 -6.643 -2.552 1.00 63.52 H new ATOM 0 HG3 GLU A 593 -2.413 -5.612 -3.959 1.00 63.52 H new ATOM 495 N HIS A 594 1.861 -8.643 -4.340 1.00 11.53 N ATOM 496 CA HIS A 594 2.680 -9.641 -5.018 1.00 44.43 C ATOM 497 C HIS A 594 3.603 -10.350 -4.031 1.00 64.14 C ATOM 498 O HIS A 594 3.713 -11.577 -4.039 1.00 30.22 O ATOM 499 CB HIS A 594 3.505 -8.987 -6.128 1.00 24.45 C ATOM 500 CG HIS A 594 4.375 -9.951 -6.874 1.00 10.24 C ATOM 501 ND1 HIS A 594 5.741 -10.021 -6.701 1.00 52.24 N ATOM 502 CD2 HIS A 594 4.066 -10.888 -7.800 1.00 21.42 C ATOM 503 CE1 HIS A 594 6.235 -10.959 -7.490 1.00 34.11 C ATOM 504 NE2 HIS A 594 5.239 -11.501 -8.166 1.00 73.05 N ATOM 0 H HIS A 594 2.236 -7.695 -4.376 1.00 11.53 H new ATOM 0 HA HIS A 594 2.013 -10.382 -5.460 1.00 44.43 H new ATOM 0 HB2 HIS A 594 2.830 -8.499 -6.832 1.00 24.45 H new ATOM 0 HB3 HIS A 594 4.130 -8.207 -5.693 1.00 24.45 H new ATOM 0 HD2 HIS A 594 3.080 -11.112 -8.180 1.00 21.42 H new ATOM 0 HE1 HIS A 594 7.276 -11.235 -7.568 1.00 34.11 H new ATOM 0 HE2 HIS A 594 5.327 -12.253 -8.849 1.00 73.05 H new ATOM 511 N LEU A 595 4.265 -9.571 -3.184 1.00 35.31 N ATOM 512 CA LEU A 595 5.180 -10.122 -2.191 1.00 25.24 C ATOM 513 C LEU A 595 4.414 -10.667 -0.989 1.00 34.12 C ATOM 514 O LEU A 595 4.956 -11.427 -0.187 1.00 53.15 O ATOM 515 CB LEU A 595 6.174 -9.054 -1.736 1.00 15.44 C ATOM 516 CG LEU A 595 6.895 -8.290 -2.847 1.00 1.14 C ATOM 517 CD1 LEU A 595 7.418 -6.960 -2.328 1.00 33.24 C ATOM 518 CD2 LEU A 595 8.031 -9.125 -3.419 1.00 31.12 C ATOM 0 H LEU A 595 4.185 -8.554 -3.165 1.00 35.31 H new ATOM 0 HA LEU A 595 5.727 -10.944 -2.653 1.00 25.24 H new ATOM 0 HB2 LEU A 595 5.643 -8.334 -1.113 1.00 15.44 H new ATOM 0 HB3 LEU A 595 6.924 -9.530 -1.104 1.00 15.44 H new ATOM 0 HG LEU A 595 6.181 -8.090 -3.646 1.00 1.14 H new ATOM 0 HD11 LEU A 595 7.928 -6.431 -3.133 1.00 33.24 H new ATOM 0 HD12 LEU A 595 6.585 -6.357 -1.968 1.00 33.24 H new ATOM 0 HD13 LEU A 595 8.117 -7.138 -1.511 1.00 33.24 H new ATOM 0 HD21 LEU A 595 8.532 -8.565 -4.208 1.00 31.12 H new ATOM 0 HD22 LEU A 595 8.745 -9.357 -2.629 1.00 31.12 H new ATOM 0 HD23 LEU A 595 7.630 -10.052 -3.830 1.00 31.12 H new ATOM 529 N GLY A 596 3.150 -10.274 -0.872 1.00 11.02 N ATOM 530 CA GLY A 596 2.330 -10.734 0.234 1.00 4.12 C ATOM 531 C GLY A 596 2.538 -9.913 1.491 1.00 62.15 C ATOM 532 O GLY A 596 3.486 -9.132 1.583 1.00 74.54 O ATOM 0 H GLY A 596 2.679 -9.646 -1.523 1.00 11.02 H new ATOM 0 HA2 GLY A 596 1.280 -10.691 -0.054 1.00 4.12 H new ATOM 0 HA3 GLY A 596 2.561 -11.778 0.444 1.00 4.12 H new ATOM 536 N THR A 597 1.650 -10.087 2.464 1.00 64.20 N ATOM 537 CA THR A 597 1.738 -9.355 3.722 1.00 72.34 C ATOM 538 C THR A 597 2.801 -9.955 4.633 1.00 2.54 C ATOM 539 O THR A 597 3.054 -9.449 5.726 1.00 71.23 O ATOM 540 CB THR A 597 0.388 -9.345 4.462 1.00 30.20 C ATOM 541 OG1 THR A 597 -0.265 -10.609 4.307 1.00 4.34 O ATOM 542 CG2 THR A 597 -0.511 -8.237 3.936 1.00 73.21 C ATOM 0 H THR A 597 0.860 -10.730 2.405 1.00 64.20 H new ATOM 0 HA THR A 597 2.014 -8.330 3.473 1.00 72.34 H new ATOM 0 HB THR A 597 0.581 -9.163 5.519 1.00 30.20 H new ATOM 0 HG1 THR A 597 -1.122 -10.595 4.782 1.00 4.34 H new ATOM 0 HG21 THR A 597 -1.459 -8.251 4.475 1.00 73.21 H new ATOM 0 HG22 THR A 597 -0.024 -7.273 4.083 1.00 73.21 H new ATOM 0 HG23 THR A 597 -0.696 -8.392 2.873 1.00 73.21 H new ATOM 550 N GLY A 598 3.424 -11.038 4.177 1.00 21.35 N ATOM 551 CA GLY A 598 4.454 -11.689 4.965 1.00 31.15 C ATOM 552 C GLY A 598 5.849 -11.397 4.450 1.00 42.41 C ATOM 553 O GLY A 598 6.801 -12.103 4.783 1.00 52.21 O ATOM 0 H GLY A 598 3.233 -11.476 3.276 1.00 21.35 H new ATOM 0 HA2 GLY A 598 4.376 -11.360 6.001 1.00 31.15 H new ATOM 0 HA3 GLY A 598 4.286 -12.766 4.959 1.00 31.15 H new ATOM 557 N ARG A 599 5.971 -10.356 3.634 1.00 32.30 N ATOM 558 CA ARG A 599 7.260 -9.974 3.070 1.00 32.43 C ATOM 559 C ARG A 599 7.468 -8.465 3.160 1.00 50.03 C ATOM 560 O ARG A 599 7.521 -7.774 2.142 1.00 22.23 O ATOM 561 CB ARG A 599 7.356 -10.426 1.611 1.00 14.40 C ATOM 562 CG ARG A 599 7.574 -11.922 1.451 1.00 64.12 C ATOM 563 CD ARG A 599 8.032 -12.270 0.043 1.00 1.33 C ATOM 564 NE ARG A 599 8.100 -13.714 -0.168 1.00 60.12 N ATOM 565 CZ ARG A 599 8.405 -14.272 -1.335 1.00 22.41 C ATOM 566 NH1 ARG A 599 8.666 -13.512 -2.389 1.00 11.45 N ATOM 567 NH2 ARG A 599 8.446 -15.593 -1.449 1.00 54.51 N ATOM 0 H ARG A 599 5.193 -9.762 3.348 1.00 32.30 H new ATOM 0 HA ARG A 599 8.041 -10.466 3.649 1.00 32.43 H new ATOM 0 HB2 ARG A 599 6.441 -10.143 1.091 1.00 14.40 H new ATOM 0 HB3 ARG A 599 8.175 -9.894 1.128 1.00 14.40 H new ATOM 0 HG2 ARG A 599 8.318 -12.262 2.171 1.00 64.12 H new ATOM 0 HG3 ARG A 599 6.648 -12.452 1.675 1.00 64.12 H new ATOM 0 HD2 ARG A 599 7.346 -11.830 -0.681 1.00 1.33 H new ATOM 0 HD3 ARG A 599 9.013 -11.830 -0.139 1.00 1.33 H new ATOM 0 HE ARG A 599 7.903 -14.327 0.623 1.00 60.12 H new ATOM 0 HH11 ARG A 599 8.633 -12.496 -2.306 1.00 11.45 H new ATOM 0 HH12 ARG A 599 8.900 -13.943 -3.283 1.00 11.45 H new ATOM 0 HH21 ARG A 599 8.243 -16.181 -0.641 1.00 54.51 H new ATOM 0 HH22 ARG A 599 8.680 -16.021 -2.345 1.00 54.51 H new ATOM 578 N TRP A 600 7.585 -7.961 4.384 1.00 62.34 N ATOM 579 CA TRP A 600 7.786 -6.535 4.606 1.00 31.32 C ATOM 580 C TRP A 600 9.070 -6.055 3.937 1.00 34.51 C ATOM 581 O TRP A 600 9.065 -5.068 3.201 1.00 21.43 O ATOM 582 CB TRP A 600 7.835 -6.233 6.105 1.00 25.35 C ATOM 583 CG TRP A 600 6.706 -6.854 6.872 1.00 2.43 C ATOM 584 CD1 TRP A 600 5.440 -7.091 6.420 1.00 3.13 C ATOM 585 CD2 TRP A 600 6.743 -7.315 8.228 1.00 54.14 C ATOM 586 NE1 TRP A 600 4.687 -7.671 7.412 1.00 64.12 N ATOM 587 CE2 TRP A 600 5.463 -7.820 8.530 1.00 12.44 C ATOM 588 CE3 TRP A 600 7.733 -7.352 9.214 1.00 41.43 C ATOM 589 CZ2 TRP A 600 5.150 -8.353 9.778 1.00 41.34 C ATOM 590 CZ3 TRP A 600 7.421 -7.881 10.451 1.00 5.25 C ATOM 591 CH2 TRP A 600 6.139 -8.377 10.725 1.00 62.03 C ATOM 0 H TRP A 600 7.544 -8.519 5.237 1.00 62.34 H new ATOM 0 HA TRP A 600 6.945 -6.002 4.162 1.00 31.32 H new ATOM 0 HB2 TRP A 600 8.781 -6.592 6.510 1.00 25.35 H new ATOM 0 HB3 TRP A 600 7.814 -5.153 6.252 1.00 25.35 H new ATOM 0 HD1 TRP A 600 5.083 -6.857 5.428 1.00 3.13 H new ATOM 0 HE1 TRP A 600 3.708 -7.946 7.329 1.00 64.12 H new ATOM 0 HE3 TRP A 600 8.724 -6.974 9.012 1.00 41.43 H new ATOM 0 HZ2 TRP A 600 4.162 -8.734 9.991 1.00 41.34 H new ATOM 0 HZ3 TRP A 600 8.178 -7.913 11.221 1.00 5.25 H new ATOM 0 HH2 TRP A 600 5.927 -8.786 11.702 1.00 62.03 H new ATOM 601 N ARG A 601 10.167 -6.759 4.197 1.00 30.43 N ATOM 602 CA ARG A 601 11.457 -6.403 3.621 1.00 40.32 C ATOM 603 C ARG A 601 11.358 -6.274 2.103 1.00 64.11 C ATOM 604 O ARG A 601 11.838 -5.303 1.520 1.00 55.10 O ATOM 605 CB ARG A 601 12.509 -7.451 3.986 1.00 45.52 C ATOM 606 CG ARG A 601 13.143 -7.228 5.350 1.00 42.24 C ATOM 607 CD ARG A 601 14.365 -8.112 5.548 1.00 61.45 C ATOM 608 NE ARG A 601 14.012 -9.528 5.605 1.00 43.42 N ATOM 609 CZ ARG A 601 14.887 -10.511 5.424 1.00 14.22 C ATOM 610 NH1 ARG A 601 16.160 -10.233 5.176 1.00 61.23 N ATOM 611 NH2 ARG A 601 14.490 -11.775 5.493 1.00 40.35 N ATOM 0 H ARG A 601 10.188 -7.579 4.803 1.00 30.43 H new ATOM 0 HA ARG A 601 11.756 -5.439 4.032 1.00 40.32 H new ATOM 0 HB2 ARG A 601 12.048 -8.439 3.966 1.00 45.52 H new ATOM 0 HB3 ARG A 601 13.291 -7.449 3.226 1.00 45.52 H new ATOM 0 HG2 ARG A 601 13.429 -6.181 5.453 1.00 42.24 H new ATOM 0 HG3 ARG A 601 12.412 -7.436 6.131 1.00 42.24 H new ATOM 0 HD2 ARG A 601 15.068 -7.946 4.732 1.00 61.45 H new ATOM 0 HD3 ARG A 601 14.873 -7.828 6.470 1.00 61.45 H new ATOM 0 HE ARG A 601 13.041 -9.776 5.794 1.00 43.42 H new ATOM 0 HH11 ARG A 601 16.469 -9.262 5.124 1.00 61.23 H new ATOM 0 HH12 ARG A 601 16.830 -10.990 5.037 1.00 61.23 H new ATOM 0 HH21 ARG A 601 13.512 -11.993 5.685 1.00 40.35 H new ATOM 0 HH22 ARG A 601 15.163 -12.529 5.354 1.00 40.35 H new ATOM 622 N ASP A 602 10.731 -7.261 1.471 1.00 2.23 N ATOM 623 CA ASP A 602 10.568 -7.258 0.021 1.00 5.14 C ATOM 624 C ASP A 602 9.699 -6.087 -0.424 1.00 74.24 C ATOM 625 O ASP A 602 9.912 -5.514 -1.494 1.00 42.45 O ATOM 626 CB ASP A 602 9.948 -8.576 -0.446 1.00 12.32 C ATOM 627 CG ASP A 602 10.625 -9.784 0.171 1.00 64.45 C ATOM 628 OD1 ASP A 602 10.463 -9.998 1.391 1.00 42.34 O ATOM 629 OD2 ASP A 602 11.316 -10.517 -0.568 1.00 10.10 O ATOM 0 H ASP A 602 10.328 -8.072 1.939 1.00 2.23 H new ATOM 0 HA ASP A 602 11.554 -7.149 -0.432 1.00 5.14 H new ATOM 0 HB2 ASP A 602 8.888 -8.587 -0.190 1.00 12.32 H new ATOM 0 HB3 ASP A 602 10.014 -8.641 -1.532 1.00 12.32 H new ATOM 633 N VAL A 603 8.719 -5.735 0.401 1.00 43.00 N ATOM 634 CA VAL A 603 7.817 -4.631 0.091 1.00 3.32 C ATOM 635 C VAL A 603 8.563 -3.301 0.071 1.00 2.32 C ATOM 636 O VAL A 603 8.221 -2.397 -0.691 1.00 14.03 O ATOM 637 CB VAL A 603 6.664 -4.546 1.109 1.00 71.14 C ATOM 638 CG1 VAL A 603 5.868 -3.266 0.907 1.00 63.03 C ATOM 639 CG2 VAL A 603 5.764 -5.767 0.997 1.00 3.30 C ATOM 0 H VAL A 603 8.529 -6.198 1.290 1.00 43.00 H new ATOM 0 HA VAL A 603 7.404 -4.827 -0.899 1.00 3.32 H new ATOM 0 HB VAL A 603 7.088 -4.527 2.113 1.00 71.14 H new ATOM 0 HG11 VAL A 603 5.058 -3.223 1.635 1.00 63.03 H new ATOM 0 HG12 VAL A 603 6.523 -2.405 1.042 1.00 63.03 H new ATOM 0 HG13 VAL A 603 5.452 -3.251 -0.100 1.00 63.03 H new ATOM 0 HG21 VAL A 603 4.955 -5.690 1.723 1.00 3.30 H new ATOM 0 HG22 VAL A 603 5.346 -5.820 -0.008 1.00 3.30 H new ATOM 0 HG23 VAL A 603 6.346 -6.667 1.195 1.00 3.30 H new ATOM 649 N LYS A 604 9.584 -3.190 0.914 1.00 41.13 N ATOM 650 CA LYS A 604 10.381 -1.971 0.994 1.00 2.00 C ATOM 651 C LYS A 604 11.209 -1.779 -0.273 1.00 4.12 C ATOM 652 O LYS A 604 11.218 -0.698 -0.861 1.00 23.23 O ATOM 653 CB LYS A 604 11.301 -2.019 2.215 1.00 13.45 C ATOM 654 CG LYS A 604 11.594 -0.653 2.809 1.00 15.44 C ATOM 655 CD LYS A 604 12.166 -0.766 4.213 1.00 73.34 C ATOM 656 CE LYS A 604 13.535 -1.429 4.206 1.00 74.44 C ATOM 657 NZ LYS A 604 14.586 -0.524 3.664 1.00 12.33 N ATOM 0 H LYS A 604 9.879 -3.929 1.552 1.00 41.13 H new ATOM 0 HA LYS A 604 9.700 -1.126 1.093 1.00 2.00 H new ATOM 0 HB2 LYS A 604 10.844 -2.648 2.979 1.00 13.45 H new ATOM 0 HB3 LYS A 604 12.241 -2.493 1.933 1.00 13.45 H new ATOM 0 HG2 LYS A 604 12.299 -0.121 2.170 1.00 15.44 H new ATOM 0 HG3 LYS A 604 10.678 -0.062 2.835 1.00 15.44 H new ATOM 0 HD2 LYS A 604 12.244 0.227 4.656 1.00 73.34 H new ATOM 0 HD3 LYS A 604 11.485 -1.342 4.839 1.00 73.34 H new ATOM 0 HE2 LYS A 604 13.800 -1.727 5.221 1.00 74.44 H new ATOM 0 HE3 LYS A 604 13.495 -2.339 3.607 1.00 74.44 H new ATOM 0 HZ1 LYS A 604 15.518 -0.972 3.769 1.00 12.33 H new ATOM 0 HZ2 LYS A 604 14.401 -0.342 2.657 1.00 12.33 H new ATOM 0 HZ3 LYS A 604 14.573 0.375 4.187 1.00 12.33 H new ATOM 667 N MET A 605 11.901 -2.834 -0.688 1.00 42.34 N ATOM 668 CA MET A 605 12.729 -2.781 -1.888 1.00 1.44 C ATOM 669 C MET A 605 11.866 -2.768 -3.144 1.00 64.34 C ATOM 670 O MET A 605 12.240 -2.181 -4.160 1.00 42.40 O ATOM 671 CB MET A 605 13.687 -3.974 -1.925 1.00 12.35 C ATOM 672 CG MET A 605 12.983 -5.318 -2.009 1.00 61.40 C ATOM 673 SD MET A 605 14.116 -6.709 -1.839 1.00 14.23 S ATOM 674 CE MET A 605 15.168 -6.464 -3.267 1.00 41.51 C ATOM 0 H MET A 605 11.905 -3.736 -0.212 1.00 42.34 H new ATOM 0 HA MET A 605 13.309 -1.859 -1.859 1.00 1.44 H new ATOM 0 HB2 MET A 605 14.353 -3.868 -2.781 1.00 12.35 H new ATOM 0 HB3 MET A 605 14.311 -3.956 -1.032 1.00 12.35 H new ATOM 0 HG2 MET A 605 12.224 -5.375 -1.229 1.00 61.40 H new ATOM 0 HG3 MET A 605 12.464 -5.392 -2.964 1.00 61.40 H new ATOM 0 HE1 MET A 605 15.742 -7.371 -3.456 1.00 41.51 H new ATOM 0 HE2 MET A 605 14.553 -6.236 -4.137 1.00 41.51 H new ATOM 0 HE3 MET A 605 15.851 -5.636 -3.078 1.00 41.51 H new ATOM 682 N ARG A 606 10.709 -3.420 -3.069 1.00 72.20 N ATOM 683 CA ARG A 606 9.794 -3.484 -4.202 1.00 21.32 C ATOM 684 C ARG A 606 9.099 -2.143 -4.417 1.00 72.23 C ATOM 685 O ARG A 606 8.922 -1.699 -5.551 1.00 34.12 O ATOM 686 CB ARG A 606 8.751 -4.581 -3.981 1.00 1.23 C ATOM 687 CG ARG A 606 7.555 -4.482 -4.913 1.00 73.41 C ATOM 688 CD ARG A 606 7.978 -4.555 -6.372 1.00 13.11 C ATOM 689 NE ARG A 606 8.657 -5.810 -6.682 1.00 53.13 N ATOM 690 CZ ARG A 606 9.145 -6.104 -7.882 1.00 74.42 C ATOM 691 NH1 ARG A 606 9.030 -5.237 -8.879 1.00 42.13 N ATOM 692 NH2 ARG A 606 9.749 -7.267 -8.087 1.00 54.03 N ATOM 0 H ARG A 606 10.384 -3.911 -2.236 1.00 72.20 H new ATOM 0 HA ARG A 606 10.376 -3.719 -5.093 1.00 21.32 H new ATOM 0 HB2 ARG A 606 9.225 -5.553 -4.114 1.00 1.23 H new ATOM 0 HB3 ARG A 606 8.402 -4.536 -2.950 1.00 1.23 H new ATOM 0 HG2 ARG A 606 6.855 -5.289 -4.695 1.00 73.41 H new ATOM 0 HG3 ARG A 606 7.028 -3.545 -4.732 1.00 73.41 H new ATOM 0 HD2 ARG A 606 7.100 -4.450 -7.010 1.00 13.11 H new ATOM 0 HD3 ARG A 606 8.639 -3.719 -6.600 1.00 13.11 H new ATOM 0 HE ARG A 606 8.762 -6.498 -5.937 1.00 53.13 H new ATOM 0 HH11 ARG A 606 8.566 -4.342 -8.725 1.00 42.13 H new ATOM 0 HH12 ARG A 606 9.406 -5.465 -9.799 1.00 42.13 H new ATOM 0 HH21 ARG A 606 9.839 -7.937 -7.323 1.00 54.03 H new ATOM 0 HH22 ARG A 606 10.123 -7.492 -9.009 1.00 54.03 H new ATOM 703 N ALA A 607 8.708 -1.502 -3.320 1.00 1.40 N ATOM 704 CA ALA A 607 8.034 -0.212 -3.388 1.00 14.53 C ATOM 705 C ALA A 607 9.039 0.935 -3.352 1.00 3.44 C ATOM 706 O ALA A 607 9.238 1.632 -4.347 1.00 5.15 O ATOM 707 CB ALA A 607 7.035 -0.077 -2.248 1.00 23.11 C ATOM 0 H ALA A 607 8.847 -1.856 -2.373 1.00 1.40 H new ATOM 0 HA ALA A 607 7.497 -0.160 -4.335 1.00 14.53 H new ATOM 0 HB1 ALA A 607 6.539 0.892 -2.312 1.00 23.11 H new ATOM 0 HB2 ALA A 607 6.291 -0.871 -2.320 1.00 23.11 H new ATOM 0 HB3 ALA A 607 7.558 -0.155 -1.295 1.00 23.11 H new ATOM 713 N PHE A 608 9.670 1.125 -2.197 1.00 61.12 N ATOM 714 CA PHE A 608 10.654 2.189 -2.030 1.00 71.23 C ATOM 715 C PHE A 608 11.930 1.876 -2.806 1.00 42.03 C ATOM 716 O PHE A 608 12.534 0.817 -2.629 1.00 20.43 O ATOM 717 CB PHE A 608 10.979 2.384 -0.548 1.00 43.32 C ATOM 718 CG PHE A 608 9.782 2.735 0.288 1.00 71.53 C ATOM 719 CD1 PHE A 608 8.918 1.748 0.733 1.00 31.15 C ATOM 720 CD2 PHE A 608 9.521 4.053 0.627 1.00 2.15 C ATOM 721 CE1 PHE A 608 7.815 2.069 1.503 1.00 51.23 C ATOM 722 CE2 PHE A 608 8.420 4.379 1.397 1.00 41.11 C ATOM 723 CZ PHE A 608 7.566 3.386 1.835 1.00 61.55 C ATOM 0 H PHE A 608 9.518 0.557 -1.364 1.00 61.12 H new ATOM 0 HA PHE A 608 10.227 3.111 -2.425 1.00 71.23 H new ATOM 0 HB2 PHE A 608 11.428 1.470 -0.160 1.00 43.32 H new ATOM 0 HB3 PHE A 608 11.725 3.172 -0.449 1.00 43.32 H new ATOM 0 HD1 PHE A 608 9.108 0.716 0.476 1.00 31.15 H new ATOM 0 HD2 PHE A 608 10.185 4.834 0.286 1.00 2.15 H new ATOM 0 HE1 PHE A 608 7.149 1.290 1.844 1.00 51.23 H new ATOM 0 HE2 PHE A 608 8.228 5.410 1.656 1.00 41.11 H new ATOM 0 HZ PHE A 608 6.705 3.639 2.436 1.00 61.55 H new ATOM 828 N TYR A 616 11.484 -0.886 8.299 1.00 21.02 N ATOM 829 CA TYR A 616 10.455 -1.795 7.808 1.00 41.34 C ATOM 830 C TYR A 616 9.083 -1.407 8.346 1.00 21.31 C ATOM 831 O TYR A 616 8.053 -1.804 7.800 1.00 51.24 O ATOM 832 CB TYR A 616 10.784 -3.234 8.209 1.00 64.25 C ATOM 833 CG TYR A 616 11.019 -3.412 9.691 1.00 31.14 C ATOM 834 CD1 TYR A 616 9.965 -3.347 10.594 1.00 42.11 C ATOM 835 CD2 TYR A 616 12.295 -3.643 10.190 1.00 52.23 C ATOM 836 CE1 TYR A 616 10.175 -3.507 11.951 1.00 61.21 C ATOM 837 CE2 TYR A 616 12.514 -3.806 11.545 1.00 51.23 C ATOM 838 CZ TYR A 616 11.451 -3.737 12.420 1.00 22.11 C ATOM 839 OH TYR A 616 11.666 -3.898 13.770 1.00 21.53 O ATOM 0 HA TYR A 616 10.432 -1.723 6.721 1.00 41.34 H new ATOM 0 HB2 TYR A 616 9.966 -3.884 7.899 1.00 64.25 H new ATOM 0 HB3 TYR A 616 11.672 -3.559 7.667 1.00 64.25 H new ATOM 0 HD1 TYR A 616 8.964 -3.168 10.229 1.00 42.11 H new ATOM 0 HD2 TYR A 616 13.130 -3.696 9.507 1.00 52.23 H new ATOM 0 HE1 TYR A 616 9.345 -3.452 12.639 1.00 61.21 H new ATOM 0 HE2 TYR A 616 13.512 -3.986 11.916 1.00 51.23 H new ATOM 0 HH TYR A 616 12.620 -4.053 13.933 1.00 21.53 H new ATOM 848 N VAL A 617 9.075 -0.626 9.422 1.00 53.10 N ATOM 849 CA VAL A 617 7.829 -0.181 10.035 1.00 54.03 C ATOM 850 C VAL A 617 7.126 0.853 9.162 1.00 22.13 C ATOM 851 O VAL A 617 5.897 0.915 9.123 1.00 42.34 O ATOM 852 CB VAL A 617 8.075 0.424 11.430 1.00 13.04 C ATOM 853 CG1 VAL A 617 8.933 1.676 11.326 1.00 40.23 C ATOM 854 CG2 VAL A 617 6.754 0.730 12.118 1.00 20.15 C ATOM 0 H VAL A 617 9.918 -0.288 9.887 1.00 53.10 H new ATOM 0 HA VAL A 617 7.193 -1.061 10.135 1.00 54.03 H new ATOM 0 HB VAL A 617 8.613 -0.307 12.034 1.00 13.04 H new ATOM 0 HG11 VAL A 617 9.096 2.089 12.321 1.00 40.23 H new ATOM 0 HG12 VAL A 617 9.893 1.423 10.877 1.00 40.23 H new ATOM 0 HG13 VAL A 617 8.425 2.414 10.705 1.00 40.23 H new ATOM 0 HG21 VAL A 617 6.947 1.157 13.102 1.00 20.15 H new ATOM 0 HG22 VAL A 617 6.188 1.442 11.518 1.00 20.15 H new ATOM 0 HG23 VAL A 617 6.179 -0.190 12.227 1.00 20.15 H new ATOM 864 N ASP A 618 7.914 1.662 8.462 1.00 4.02 N ATOM 865 CA ASP A 618 7.366 2.693 7.587 1.00 43.34 C ATOM 866 C ASP A 618 6.392 2.090 6.580 1.00 61.15 C ATOM 867 O ASP A 618 5.265 2.563 6.430 1.00 12.32 O ATOM 868 CB ASP A 618 8.495 3.420 6.853 1.00 64.44 C ATOM 869 CG ASP A 618 8.856 4.738 7.507 1.00 0.35 C ATOM 870 OD1 ASP A 618 7.938 5.429 7.996 1.00 75.13 O ATOM 871 OD2 ASP A 618 10.058 5.079 7.531 1.00 42.00 O ATOM 0 H ASP A 618 8.933 1.624 8.483 1.00 4.02 H new ATOM 0 HA ASP A 618 6.824 3.409 8.204 1.00 43.34 H new ATOM 0 HB2 ASP A 618 9.376 2.779 6.823 1.00 64.44 H new ATOM 0 HB3 ASP A 618 8.196 3.600 5.820 1.00 64.44 H new ATOM 875 N LEU A 619 6.835 1.043 5.890 1.00 32.53 N ATOM 876 CA LEU A 619 6.002 0.375 4.896 1.00 74.24 C ATOM 877 C LEU A 619 4.887 -0.421 5.566 1.00 63.30 C ATOM 878 O LEU A 619 3.791 -0.554 5.021 1.00 44.43 O ATOM 879 CB LEU A 619 6.856 -0.550 4.027 1.00 25.33 C ATOM 880 CG LEU A 619 7.173 -1.923 4.620 1.00 5.33 C ATOM 881 CD1 LEU A 619 6.113 -2.938 4.216 1.00 14.13 C ATOM 882 CD2 LEU A 619 8.554 -2.388 4.181 1.00 63.45 C ATOM 0 H LEU A 619 7.765 0.639 6.001 1.00 32.53 H new ATOM 0 HA LEU A 619 5.547 1.139 4.265 1.00 74.24 H new ATOM 0 HB2 LEU A 619 6.345 -0.696 3.076 1.00 25.33 H new ATOM 0 HB3 LEU A 619 7.797 -0.045 3.809 1.00 25.33 H new ATOM 0 HG LEU A 619 7.169 -1.837 5.707 1.00 5.33 H new ATOM 0 HD11 LEU A 619 6.356 -3.909 4.648 1.00 14.13 H new ATOM 0 HD12 LEU A 619 5.139 -2.612 4.581 1.00 14.13 H new ATOM 0 HD13 LEU A 619 6.084 -3.021 3.130 1.00 14.13 H new ATOM 0 HD21 LEU A 619 8.763 -3.367 4.613 1.00 63.45 H new ATOM 0 HD22 LEU A 619 8.586 -2.457 3.094 1.00 63.45 H new ATOM 0 HD23 LEU A 619 9.304 -1.674 4.522 1.00 63.45 H new ATOM 893 N LYS A 620 5.173 -0.948 6.752 1.00 53.35 N ATOM 894 CA LYS A 620 4.195 -1.729 7.498 1.00 30.54 C ATOM 895 C LYS A 620 2.995 -0.871 7.887 1.00 35.33 C ATOM 896 O LYS A 620 1.853 -1.329 7.848 1.00 31.40 O ATOM 897 CB LYS A 620 4.837 -2.324 8.754 1.00 33.44 C ATOM 898 CG LYS A 620 4.196 -3.623 9.207 1.00 3.43 C ATOM 899 CD LYS A 620 2.997 -3.371 10.104 1.00 21.44 C ATOM 900 CE LYS A 620 2.736 -4.548 11.033 1.00 75.05 C ATOM 901 NZ LYS A 620 1.350 -4.530 11.576 1.00 72.53 N ATOM 0 H LYS A 620 6.075 -0.848 7.217 1.00 53.35 H new ATOM 0 HA LYS A 620 3.848 -2.538 6.856 1.00 30.54 H new ATOM 0 HB2 LYS A 620 5.896 -2.498 8.563 1.00 33.44 H new ATOM 0 HB3 LYS A 620 4.775 -1.596 9.563 1.00 33.44 H new ATOM 0 HG2 LYS A 620 3.885 -4.199 8.336 1.00 3.43 H new ATOM 0 HG3 LYS A 620 4.931 -4.225 9.741 1.00 3.43 H new ATOM 0 HD2 LYS A 620 3.167 -2.471 10.695 1.00 21.44 H new ATOM 0 HD3 LYS A 620 2.115 -3.188 9.491 1.00 21.44 H new ATOM 0 HE2 LYS A 620 2.902 -5.480 10.493 1.00 75.05 H new ATOM 0 HE3 LYS A 620 3.449 -4.525 11.857 1.00 75.05 H new ATOM 0 HZ1 LYS A 620 1.212 -5.348 12.204 1.00 72.53 H new ATOM 0 HZ2 LYS A 620 1.199 -3.652 12.113 1.00 72.53 H new ATOM 0 HZ3 LYS A 620 0.669 -4.578 10.791 1.00 72.53 H new ATOM 911 N ASP A 621 3.261 0.377 8.258 1.00 1.12 N ATOM 912 CA ASP A 621 2.203 1.301 8.651 1.00 23.12 C ATOM 913 C ASP A 621 1.384 1.735 7.440 1.00 31.32 C ATOM 914 O ASP A 621 0.159 1.833 7.507 1.00 4.34 O ATOM 915 CB ASP A 621 2.798 2.526 9.346 1.00 42.12 C ATOM 916 CG ASP A 621 3.031 2.296 10.827 1.00 53.22 C ATOM 917 OD1 ASP A 621 3.182 1.123 11.227 1.00 41.41 O ATOM 918 OD2 ASP A 621 3.062 3.288 11.584 1.00 52.51 O ATOM 0 H ASP A 621 4.201 0.772 8.295 1.00 1.12 H new ATOM 0 HA ASP A 621 1.543 0.784 9.347 1.00 23.12 H new ATOM 0 HB2 ASP A 621 3.743 2.788 8.869 1.00 42.12 H new ATOM 0 HB3 ASP A 621 2.128 3.376 9.214 1.00 42.12 H new ATOM 922 N LYS A 622 2.069 1.996 6.331 1.00 2.43 N ATOM 923 CA LYS A 622 1.408 2.420 5.104 1.00 33.44 C ATOM 924 C LYS A 622 0.335 1.418 4.690 1.00 60.41 C ATOM 925 O LYS A 622 -0.755 1.802 4.264 1.00 4.23 O ATOM 926 CB LYS A 622 2.430 2.582 3.978 1.00 40.35 C ATOM 927 CG LYS A 622 3.261 3.849 4.087 1.00 23.23 C ATOM 928 CD LYS A 622 2.406 5.093 3.911 1.00 4.24 C ATOM 929 CE LYS A 622 2.706 6.131 4.981 1.00 34.43 C ATOM 930 NZ LYS A 622 2.031 5.811 6.269 1.00 73.51 N ATOM 0 H LYS A 622 3.084 1.921 6.258 1.00 2.43 H new ATOM 0 HA LYS A 622 0.930 3.381 5.293 1.00 33.44 H new ATOM 0 HB2 LYS A 622 3.097 1.720 3.977 1.00 40.35 H new ATOM 0 HB3 LYS A 622 1.907 2.582 3.022 1.00 40.35 H new ATOM 0 HG2 LYS A 622 3.754 3.880 5.059 1.00 23.23 H new ATOM 0 HG3 LYS A 622 4.047 3.836 3.331 1.00 23.23 H new ATOM 0 HD2 LYS A 622 2.585 5.523 2.925 1.00 4.24 H new ATOM 0 HD3 LYS A 622 1.352 4.820 3.953 1.00 4.24 H new ATOM 0 HE2 LYS A 622 3.783 6.188 5.140 1.00 34.43 H new ATOM 0 HE3 LYS A 622 2.382 7.113 4.635 1.00 34.43 H new ATOM 0 HZ1 LYS A 622 2.260 6.542 6.972 1.00 73.51 H new ATOM 0 HZ2 LYS A 622 1.002 5.781 6.124 1.00 73.51 H new ATOM 0 HZ3 LYS A 622 2.359 4.886 6.612 1.00 73.51 H new ATOM 940 N TRP A 623 0.649 0.135 4.819 1.00 10.23 N ATOM 941 CA TRP A 623 -0.289 -0.922 4.460 1.00 43.13 C ATOM 942 C TRP A 623 -1.469 -0.955 5.425 1.00 35.33 C ATOM 943 O TRP A 623 -2.627 -0.959 5.007 1.00 52.20 O ATOM 944 CB TRP A 623 0.417 -2.279 4.453 1.00 21.13 C ATOM 945 CG TRP A 623 -0.471 -3.414 4.868 1.00 33.34 C ATOM 946 CD1 TRP A 623 -1.639 -3.799 4.275 1.00 2.22 C ATOM 947 CD2 TRP A 623 -0.263 -4.306 5.968 1.00 20.24 C ATOM 948 NE1 TRP A 623 -2.170 -4.879 4.940 1.00 12.04 N ATOM 949 CE2 TRP A 623 -1.344 -5.209 5.983 1.00 61.31 C ATOM 950 CE3 TRP A 623 0.731 -4.431 6.942 1.00 40.24 C ATOM 951 CZ2 TRP A 623 -1.456 -6.220 6.932 1.00 21.15 C ATOM 952 CZ3 TRP A 623 0.618 -5.435 7.884 1.00 44.21 C ATOM 953 CH2 TRP A 623 -0.468 -6.320 7.874 1.00 71.53 C ATOM 0 H TRP A 623 1.547 -0.199 5.170 1.00 10.23 H new ATOM 0 HA TRP A 623 -0.668 -0.712 3.460 1.00 43.13 H new ATOM 0 HB2 TRP A 623 0.801 -2.475 3.452 1.00 21.13 H new ATOM 0 HB3 TRP A 623 1.277 -2.237 5.122 1.00 21.13 H new ATOM 0 HD1 TRP A 623 -2.081 -3.325 3.411 1.00 2.22 H new ATOM 0 HE1 TRP A 623 -3.038 -5.357 4.697 1.00 12.04 H new ATOM 0 HE3 TRP A 623 1.573 -3.755 6.958 1.00 40.24 H new ATOM 0 HZ2 TRP A 623 -2.293 -6.902 6.926 1.00 21.15 H new ATOM 0 HZ3 TRP A 623 1.380 -5.540 8.642 1.00 44.21 H new ATOM 0 HH2 TRP A 623 -0.527 -7.095 8.623 1.00 71.53 H new ATOM 963 N LYS A 624 -1.169 -0.977 6.720 1.00 75.21 N ATOM 964 CA LYS A 624 -2.205 -1.006 7.745 1.00 12.41 C ATOM 965 C LYS A 624 -3.223 0.107 7.522 1.00 4.22 C ATOM 966 O LYS A 624 -4.425 -0.146 7.429 1.00 52.11 O ATOM 967 CB LYS A 624 -1.579 -0.869 9.135 1.00 12.51 C ATOM 968 CG LYS A 624 -2.315 -1.645 10.213 1.00 53.32 C ATOM 969 CD LYS A 624 -3.433 -0.821 10.828 1.00 60.52 C ATOM 970 CE LYS A 624 -2.905 0.142 11.880 1.00 53.43 C ATOM 971 NZ LYS A 624 -2.543 -0.560 13.143 1.00 65.55 N ATOM 0 H LYS A 624 -0.216 -0.975 7.084 1.00 75.21 H new ATOM 0 HA LYS A 624 -2.721 -1.964 7.678 1.00 12.41 H new ATOM 0 HB2 LYS A 624 -0.545 -1.212 9.094 1.00 12.51 H new ATOM 0 HB3 LYS A 624 -1.554 0.185 9.411 1.00 12.51 H new ATOM 0 HG2 LYS A 624 -2.728 -2.559 9.787 1.00 53.32 H new ATOM 0 HG3 LYS A 624 -1.613 -1.945 10.991 1.00 53.32 H new ATOM 0 HD2 LYS A 624 -3.946 -0.261 10.046 1.00 60.52 H new ATOM 0 HD3 LYS A 624 -4.170 -1.486 11.279 1.00 60.52 H new ATOM 0 HE2 LYS A 624 -2.030 0.662 11.490 1.00 53.43 H new ATOM 0 HE3 LYS A 624 -3.659 0.900 12.089 1.00 53.43 H new ATOM 0 HZ1 LYS A 624 -2.366 0.140 13.891 1.00 65.55 H new ATOM 0 HZ2 LYS A 624 -3.324 -1.184 13.430 1.00 65.55 H new ATOM 0 HZ3 LYS A 624 -1.685 -1.128 12.991 1.00 65.55 H new ATOM 981 N THR A 625 -2.736 1.341 7.437 1.00 52.11 N ATOM 982 CA THR A 625 -3.603 2.493 7.225 1.00 50.32 C ATOM 983 C THR A 625 -4.353 2.380 5.903 1.00 64.52 C ATOM 984 O THR A 625 -5.474 2.872 5.769 1.00 14.05 O ATOM 985 CB THR A 625 -2.803 3.809 7.238 1.00 61.11 C ATOM 986 OG1 THR A 625 -3.698 4.926 7.213 1.00 10.25 O ATOM 987 CG2 THR A 625 -1.861 3.881 6.045 1.00 45.32 C ATOM 0 H THR A 625 -1.744 1.568 7.512 1.00 52.11 H new ATOM 0 HA THR A 625 -4.319 2.505 8.046 1.00 50.32 H new ATOM 0 HB THR A 625 -2.210 3.839 8.152 1.00 61.11 H new ATOM 0 HG1 THR A 625 -4.615 4.614 7.361 1.00 10.25 H new ATOM 0 HG21 THR A 625 -1.307 4.819 6.075 1.00 45.32 H new ATOM 0 HG22 THR A 625 -1.162 3.045 6.082 1.00 45.32 H new ATOM 0 HG23 THR A 625 -2.438 3.830 5.122 1.00 45.32 H new ATOM 995 N LEU A 626 -3.729 1.728 4.928 1.00 70.33 N ATOM 996 CA LEU A 626 -4.339 1.550 3.615 1.00 63.04 C ATOM 997 C LEU A 626 -5.634 0.751 3.719 1.00 3.24 C ATOM 998 O LEU A 626 -6.670 1.155 3.191 1.00 13.33 O ATOM 999 CB LEU A 626 -3.364 0.842 2.670 1.00 24.43 C ATOM 1000 CG LEU A 626 -3.032 1.581 1.374 1.00 71.22 C ATOM 1001 CD1 LEU A 626 -1.668 1.155 0.852 1.00 72.10 C ATOM 1002 CD2 LEU A 626 -4.107 1.330 0.326 1.00 15.23 C ATOM 0 H LEU A 626 -2.801 1.314 5.022 1.00 70.33 H new ATOM 0 HA LEU A 626 -4.574 2.536 3.214 1.00 63.04 H new ATOM 0 HB2 LEU A 626 -2.434 0.659 3.209 1.00 24.43 H new ATOM 0 HB3 LEU A 626 -3.780 -0.132 2.413 1.00 24.43 H new ATOM 0 HG LEU A 626 -3.001 2.650 1.585 1.00 71.22 H new ATOM 0 HD11 LEU A 626 -1.448 1.691 -0.071 1.00 72.10 H new ATOM 0 HD12 LEU A 626 -0.905 1.386 1.596 1.00 72.10 H new ATOM 0 HD13 LEU A 626 -1.672 0.083 0.657 1.00 72.10 H new ATOM 0 HD21 LEU A 626 -3.854 1.864 -0.590 1.00 15.23 H new ATOM 0 HD22 LEU A 626 -4.170 0.262 0.118 1.00 15.23 H new ATOM 0 HD23 LEU A 626 -5.068 1.684 0.699 1.00 15.23 H new ATOM 1013 N VAL A 627 -5.569 -0.385 4.407 1.00 12.24 N ATOM 1014 CA VAL A 627 -6.736 -1.239 4.585 1.00 64.33 C ATOM 1015 C VAL A 627 -7.873 -0.483 5.263 1.00 62.13 C ATOM 1016 O VAL A 627 -8.990 -0.426 4.748 1.00 74.14 O ATOM 1017 CB VAL A 627 -6.396 -2.489 5.419 1.00 73.23 C ATOM 1018 CG1 VAL A 627 -7.637 -3.341 5.636 1.00 61.33 C ATOM 1019 CG2 VAL A 627 -5.298 -3.296 4.744 1.00 12.41 C ATOM 0 H VAL A 627 -4.719 -0.735 4.850 1.00 12.24 H new ATOM 0 HA VAL A 627 -7.054 -1.551 3.590 1.00 64.33 H new ATOM 0 HB VAL A 627 -6.032 -2.165 6.394 1.00 73.23 H new ATOM 0 HG11 VAL A 627 -7.377 -4.219 6.227 1.00 61.33 H new ATOM 0 HG12 VAL A 627 -8.391 -2.758 6.165 1.00 61.33 H new ATOM 0 HG13 VAL A 627 -8.034 -3.657 4.672 1.00 61.33 H new ATOM 0 HG21 VAL A 627 -5.070 -4.175 5.346 1.00 12.41 H new ATOM 0 HG22 VAL A 627 -5.633 -3.610 3.755 1.00 12.41 H new ATOM 0 HG23 VAL A 627 -4.403 -2.682 4.646 1.00 12.41 H new ATOM 1029 N HIS A 628 -7.581 0.097 6.422 1.00 0.41 N ATOM 1030 CA HIS A 628 -8.578 0.852 7.172 1.00 71.22 C ATOM 1031 C HIS A 628 -9.218 1.926 6.297 1.00 43.12 C ATOM 1032 O HIS A 628 -10.361 2.324 6.520 1.00 72.44 O ATOM 1033 CB HIS A 628 -7.942 1.495 8.405 1.00 72.04 C ATOM 1034 CG HIS A 628 -7.957 2.993 8.375 1.00 10.03 C ATOM 1035 ND1 HIS A 628 -6.869 3.749 7.996 1.00 31.13 N ATOM 1036 CD2 HIS A 628 -8.939 3.874 8.678 1.00 22.20 C ATOM 1037 CE1 HIS A 628 -7.179 5.031 8.069 1.00 73.40 C ATOM 1038 NE2 HIS A 628 -8.430 5.134 8.480 1.00 22.14 N ATOM 0 H HIS A 628 -6.662 0.059 6.863 1.00 0.41 H new ATOM 0 HA HIS A 628 -9.355 0.159 7.494 1.00 71.22 H new ATOM 0 HB2 HIS A 628 -8.469 1.152 9.296 1.00 72.04 H new ATOM 0 HB3 HIS A 628 -6.911 1.152 8.493 1.00 72.04 H new ATOM 0 HD2 HIS A 628 -9.937 3.631 9.013 1.00 22.20 H new ATOM 0 HE1 HIS A 628 -6.522 5.855 7.833 1.00 73.40 H new ATOM 0 HE2 HIS A 628 -8.936 6.008 8.627 1.00 22.14 H new ATOM 1045 N THR A 629 -8.472 2.392 5.300 1.00 12.23 N ATOM 1046 CA THR A 629 -8.964 3.421 4.392 1.00 25.53 C ATOM 1047 C THR A 629 -9.910 2.830 3.353 1.00 51.10 C ATOM 1048 O THR A 629 -10.810 3.509 2.861 1.00 13.10 O ATOM 1049 CB THR A 629 -7.806 4.134 3.670 1.00 61.22 C ATOM 1050 OG1 THR A 629 -7.023 4.876 4.612 1.00 61.11 O ATOM 1051 CG2 THR A 629 -8.335 5.069 2.593 1.00 31.20 C ATOM 0 H THR A 629 -7.524 2.073 5.101 1.00 12.23 H new ATOM 0 HA THR A 629 -9.504 4.147 5.000 1.00 25.53 H new ATOM 0 HB THR A 629 -7.181 3.377 3.197 1.00 61.22 H new ATOM 0 HG1 THR A 629 -6.426 4.266 5.093 1.00 61.11 H new ATOM 0 HG21 THR A 629 -7.499 5.562 2.096 1.00 31.20 H new ATOM 0 HG22 THR A 629 -8.905 4.496 1.862 1.00 31.20 H new ATOM 0 HG23 THR A 629 -8.980 5.820 3.048 1.00 31.20 H new ATOM 1059 N ALA A 630 -9.701 1.559 3.025 1.00 42.13 N ATOM 1060 CA ALA A 630 -10.537 0.876 2.046 1.00 72.14 C ATOM 1061 C ALA A 630 -12.014 1.000 2.404 1.00 70.02 C ATOM 1062 O ALA A 630 -12.835 1.382 1.569 1.00 12.14 O ATOM 1063 CB ALA A 630 -10.139 -0.589 1.941 1.00 54.12 C ATOM 0 H ALA A 630 -8.960 0.982 3.423 1.00 42.13 H new ATOM 0 HA ALA A 630 -10.383 1.353 1.078 1.00 72.14 H new ATOM 0 HB1 ALA A 630 -10.772 -1.086 1.206 1.00 54.12 H new ATOM 0 HB2 ALA A 630 -9.097 -0.662 1.630 1.00 54.12 H new ATOM 0 HB3 ALA A 630 -10.263 -1.070 2.911 1.00 54.12 H new ATOM 1069 N SER A 631 -12.346 0.673 3.648 1.00 24.34 N ATOM 1070 CA SER A 631 -13.726 0.743 4.115 1.00 51.20 C ATOM 1071 C SER A 631 -13.881 0.038 5.460 1.00 34.12 C ATOM 1072 O SER A 631 -14.543 -0.995 5.558 1.00 34.55 O ATOM 1073 CB SER A 631 -14.668 0.114 3.086 1.00 14.33 C ATOM 1074 OG SER A 631 -15.272 1.107 2.274 1.00 52.44 O ATOM 0 H SER A 631 -11.678 0.357 4.351 1.00 24.34 H new ATOM 0 HA SER A 631 -13.987 1.794 4.242 1.00 51.20 H new ATOM 0 HB2 SER A 631 -14.113 -0.585 2.460 1.00 14.33 H new ATOM 0 HB3 SER A 631 -15.440 -0.461 3.598 1.00 14.33 H new ATOM 0 HG SER A 631 -14.577 1.606 1.796 1.00 52.44 H new ATOM 1079 N ILE A 632 -13.266 0.606 6.492 1.00 14.40 N ATOM 1080 CA ILE A 632 -13.336 0.034 7.831 1.00 52.51 C ATOM 1081 C ILE A 632 -14.166 0.913 8.761 1.00 45.42 C ATOM 1082 O ILE A 632 -15.241 0.516 9.208 1.00 32.33 O ATOM 1083 CB ILE A 632 -11.932 -0.153 8.437 1.00 44.11 C ATOM 1084 CG1 ILE A 632 -11.284 -1.428 7.894 1.00 42.21 C ATOM 1085 CG2 ILE A 632 -12.012 -0.199 9.956 1.00 64.34 C ATOM 1086 CD1 ILE A 632 -11.075 -1.409 6.396 1.00 11.10 C ATOM 0 H ILE A 632 -12.714 1.461 6.427 1.00 14.40 H new ATOM 0 HA ILE A 632 -13.814 -0.941 7.734 1.00 52.51 H new ATOM 0 HB ILE A 632 -11.313 0.697 8.151 1.00 44.11 H new ATOM 0 HG12 ILE A 632 -10.322 -1.574 8.385 1.00 42.21 H new ATOM 0 HG13 ILE A 632 -11.908 -2.283 8.155 1.00 42.21 H new ATOM 0 HG21 ILE A 632 -11.012 -0.332 10.369 1.00 64.34 H new ATOM 0 HG22 ILE A 632 -12.437 0.734 10.326 1.00 64.34 H new ATOM 0 HG23 ILE A 632 -12.644 -1.032 10.262 1.00 64.34 H new ATOM 0 HD11 ILE A 632 -10.612 -2.344 6.081 1.00 11.10 H new ATOM 0 HD12 ILE A 632 -12.037 -1.294 5.896 1.00 11.10 H new ATOM 0 HD13 ILE A 632 -10.426 -0.575 6.130 1.00 11.10 H new ATOM 1097 N ALA A 633 -13.659 2.107 9.045 1.00 21.33 N ATOM 1098 CA ALA A 633 -14.356 3.043 9.920 1.00 75.22 C ATOM 1099 C ALA A 633 -15.026 4.152 9.114 1.00 44.11 C ATOM 1100 O ALA A 633 -14.465 4.680 8.154 1.00 15.23 O ATOM 1101 CB ALA A 633 -13.390 3.636 10.934 1.00 15.33 C ATOM 0 H ALA A 633 -12.769 2.450 8.683 1.00 21.33 H new ATOM 0 HA ALA A 633 -15.134 2.495 10.452 1.00 75.22 H new ATOM 0 HB1 ALA A 633 -13.924 4.333 11.581 1.00 15.33 H new ATOM 0 HB2 ALA A 633 -12.961 2.837 11.538 1.00 15.33 H new ATOM 0 HB3 ALA A 633 -12.593 4.164 10.411 1.00 15.33 H new ATOM 1210 N PRO A 641 -8.685 11.965 -1.319 1.00 51.32 N ATOM 1211 CA PRO A 641 -9.330 10.918 -2.117 1.00 71.43 C ATOM 1212 C PRO A 641 -8.418 9.719 -2.347 1.00 5.32 C ATOM 1213 O PRO A 641 -7.326 9.852 -2.898 1.00 14.21 O ATOM 1214 CB PRO A 641 -9.634 11.621 -3.444 1.00 11.04 C ATOM 1215 CG PRO A 641 -8.630 12.719 -3.529 1.00 45.53 C ATOM 1216 CD PRO A 641 -8.385 13.167 -2.115 1.00 41.12 C ATOM 0 HA PRO A 641 -10.212 10.513 -1.621 1.00 71.43 H new ATOM 0 HB2 PRO A 641 -9.542 10.935 -4.286 1.00 11.04 H new ATOM 0 HB3 PRO A 641 -10.651 12.012 -3.461 1.00 11.04 H new ATOM 0 HG2 PRO A 641 -7.708 12.369 -3.993 1.00 45.53 H new ATOM 0 HG3 PRO A 641 -9.002 13.541 -4.140 1.00 45.53 H new ATOM 0 HD2 PRO A 641 -7.356 13.498 -1.971 1.00 41.12 H new ATOM 0 HD3 PRO A 641 -9.030 14.002 -1.841 1.00 41.12 H new ATOM 1221 N VAL A 642 -8.874 8.545 -1.921 1.00 61.33 N ATOM 1222 CA VAL A 642 -8.099 7.320 -2.082 1.00 4.14 C ATOM 1223 C VAL A 642 -8.658 6.460 -3.210 1.00 62.20 C ATOM 1224 O VAL A 642 -9.864 6.240 -3.318 1.00 30.35 O ATOM 1225 CB VAL A 642 -8.081 6.493 -0.782 1.00 2.42 C ATOM 1226 CG1 VAL A 642 -7.067 5.363 -0.882 1.00 65.43 C ATOM 1227 CG2 VAL A 642 -7.780 7.386 0.413 1.00 71.14 C ATOM 0 H VAL A 642 -9.776 8.416 -1.462 1.00 61.33 H new ATOM 0 HA VAL A 642 -7.080 7.620 -2.328 1.00 4.14 H new ATOM 0 HB VAL A 642 -9.068 6.052 -0.638 1.00 2.42 H new ATOM 0 HG11 VAL A 642 -7.068 4.790 0.045 1.00 65.43 H new ATOM 0 HG12 VAL A 642 -7.332 4.709 -1.713 1.00 65.43 H new ATOM 0 HG13 VAL A 642 -6.074 5.779 -1.050 1.00 65.43 H new ATOM 0 HG21 VAL A 642 -7.771 6.786 1.323 1.00 71.14 H new ATOM 0 HG22 VAL A 642 -6.806 7.857 0.279 1.00 71.14 H new ATOM 0 HG23 VAL A 642 -8.547 8.156 0.494 1.00 71.14 H new ATOM 1237 N PRO A 643 -7.760 5.960 -4.072 1.00 61.42 N ATOM 1238 CA PRO A 643 -8.140 5.116 -5.209 1.00 2.42 C ATOM 1239 C PRO A 643 -8.630 3.740 -4.769 1.00 63.03 C ATOM 1240 O PRO A 643 -7.959 3.048 -4.004 1.00 41.32 O ATOM 1241 CB PRO A 643 -6.841 4.990 -6.008 1.00 20.02 C ATOM 1242 CG PRO A 643 -5.758 5.202 -5.006 1.00 34.31 C ATOM 1243 CD PRO A 643 -6.307 6.182 -4.006 1.00 12.55 C ATOM 0 HA PRO A 643 -8.965 5.545 -5.777 1.00 2.42 H new ATOM 0 HB2 PRO A 643 -6.759 4.010 -6.478 1.00 20.02 H new ATOM 0 HB3 PRO A 643 -6.793 5.731 -6.806 1.00 20.02 H new ATOM 0 HG2 PRO A 643 -5.484 4.264 -4.523 1.00 34.31 H new ATOM 0 HG3 PRO A 643 -4.858 5.592 -5.481 1.00 34.31 H new ATOM 0 HD2 PRO A 643 -5.917 5.996 -3.005 1.00 12.55 H new ATOM 0 HD3 PRO A 643 -6.045 7.208 -4.264 1.00 12.55 H new ATOM 1248 N GLN A 644 -9.803 3.351 -5.259 1.00 43.35 N ATOM 1249 CA GLN A 644 -10.381 2.057 -4.916 1.00 41.04 C ATOM 1250 C GLN A 644 -9.525 0.916 -5.456 1.00 53.04 C ATOM 1251 O GLN A 644 -9.649 -0.228 -5.020 1.00 3.03 O ATOM 1252 CB GLN A 644 -11.804 1.947 -5.469 1.00 51.13 C ATOM 1253 CG GLN A 644 -12.531 0.686 -5.033 1.00 2.31 C ATOM 1254 CD GLN A 644 -13.935 0.597 -5.595 1.00 71.23 C ATOM 1255 OE1 GLN A 644 -14.341 1.421 -6.416 1.00 13.23 O ATOM 1256 NE2 GLN A 644 -14.687 -0.405 -5.157 1.00 64.40 N ATOM 0 H GLN A 644 -10.371 3.912 -5.894 1.00 43.35 H new ATOM 0 HA GLN A 644 -10.413 1.980 -3.829 1.00 41.04 H new ATOM 0 HB2 GLN A 644 -12.378 2.816 -5.148 1.00 51.13 H new ATOM 0 HB3 GLN A 644 -11.765 1.975 -6.558 1.00 51.13 H new ATOM 0 HG2 GLN A 644 -11.960 -0.186 -5.352 1.00 2.31 H new ATOM 0 HG3 GLN A 644 -12.577 0.656 -3.944 1.00 2.31 H new ATOM 0 HE21 GLN A 644 -14.311 -1.065 -4.476 1.00 64.40 H new ATOM 0 HE22 GLN A 644 -15.641 -0.515 -5.501 1.00 64.40 H new ATOM 1263 N ASP A 645 -8.655 1.236 -6.408 1.00 11.21 N ATOM 1264 CA ASP A 645 -7.776 0.239 -7.009 1.00 1.34 C ATOM 1265 C ASP A 645 -6.745 -0.256 -5.997 1.00 63.52 C ATOM 1266 O ASP A 645 -6.532 -1.460 -5.852 1.00 52.31 O ATOM 1267 CB ASP A 645 -7.069 0.822 -8.233 1.00 10.53 C ATOM 1268 CG ASP A 645 -6.232 -0.211 -8.963 1.00 70.53 C ATOM 1269 OD1 ASP A 645 -6.798 -0.949 -9.796 1.00 40.13 O ATOM 1270 OD2 ASP A 645 -5.013 -0.279 -8.703 1.00 3.33 O ATOM 0 H ASP A 645 -8.540 2.179 -6.780 1.00 11.21 H new ATOM 0 HA ASP A 645 -8.387 -0.607 -7.322 1.00 1.34 H new ATOM 0 HB2 ASP A 645 -7.812 1.233 -8.917 1.00 10.53 H new ATOM 0 HB3 ASP A 645 -6.431 1.649 -7.921 1.00 10.53 H new ATOM 1274 N LEU A 646 -6.110 0.681 -5.302 1.00 62.15 N ATOM 1275 CA LEU A 646 -5.100 0.340 -4.305 1.00 32.30 C ATOM 1276 C LEU A 646 -5.749 -0.210 -3.039 1.00 61.50 C ATOM 1277 O LEU A 646 -5.190 -1.079 -2.369 1.00 53.41 O ATOM 1278 CB LEU A 646 -4.256 1.570 -3.966 1.00 1.31 C ATOM 1279 CG LEU A 646 -3.762 2.393 -5.155 1.00 15.10 C ATOM 1280 CD1 LEU A 646 -2.837 3.506 -4.686 1.00 61.21 C ATOM 1281 CD2 LEU A 646 -3.057 1.502 -6.166 1.00 43.51 C ATOM 0 H LEU A 646 -6.276 1.682 -5.410 1.00 62.15 H new ATOM 0 HA LEU A 646 -4.455 -0.432 -4.725 1.00 32.30 H new ATOM 0 HB2 LEU A 646 -4.843 2.221 -3.318 1.00 1.31 H new ATOM 0 HB3 LEU A 646 -3.390 1.244 -3.390 1.00 1.31 H new ATOM 0 HG LEU A 646 -4.626 2.846 -5.642 1.00 15.10 H new ATOM 0 HD11 LEU A 646 -2.495 4.082 -5.546 1.00 61.21 H new ATOM 0 HD12 LEU A 646 -3.375 4.162 -4.001 1.00 61.21 H new ATOM 0 HD13 LEU A 646 -1.977 3.073 -4.174 1.00 61.21 H new ATOM 0 HD21 LEU A 646 -2.712 2.106 -7.005 1.00 43.51 H new ATOM 0 HD22 LEU A 646 -2.203 1.019 -5.692 1.00 43.51 H new ATOM 0 HD23 LEU A 646 -3.750 0.742 -6.526 1.00 43.51 H new ATOM 1292 N LEU A 647 -6.934 0.299 -2.719 1.00 24.25 N ATOM 1293 CA LEU A 647 -7.661 -0.144 -1.534 1.00 31.40 C ATOM 1294 C LEU A 647 -8.228 -1.546 -1.735 1.00 12.13 C ATOM 1295 O LEU A 647 -8.011 -2.437 -0.914 1.00 10.23 O ATOM 1296 CB LEU A 647 -8.793 0.834 -1.212 1.00 11.51 C ATOM 1297 CG LEU A 647 -8.364 2.236 -0.777 1.00 43.24 C ATOM 1298 CD1 LEU A 647 -9.579 3.131 -0.588 1.00 64.53 C ATOM 1299 CD2 LEU A 647 -7.544 2.171 0.503 1.00 22.34 C ATOM 0 H LEU A 647 -7.411 1.018 -3.263 1.00 24.25 H new ATOM 0 HA LEU A 647 -6.962 -0.171 -0.698 1.00 31.40 H new ATOM 0 HB2 LEU A 647 -9.428 0.927 -2.093 1.00 11.51 H new ATOM 0 HB3 LEU A 647 -9.406 0.402 -0.421 1.00 11.51 H new ATOM 0 HG LEU A 647 -7.741 2.664 -1.562 1.00 43.24 H new ATOM 0 HD11 LEU A 647 -9.254 4.124 -0.279 1.00 64.53 H new ATOM 0 HD12 LEU A 647 -10.127 3.204 -1.528 1.00 64.53 H new ATOM 0 HD13 LEU A 647 -10.228 2.706 0.178 1.00 64.53 H new ATOM 0 HD21 LEU A 647 -7.248 3.178 0.797 1.00 22.34 H new ATOM 0 HD22 LEU A 647 -8.142 1.723 1.296 1.00 22.34 H new ATOM 0 HD23 LEU A 647 -6.653 1.566 0.334 1.00 22.34 H new ATOM 1310 N ASP A 648 -8.952 -1.735 -2.833 1.00 31.13 N ATOM 1311 CA ASP A 648 -9.546 -3.029 -3.143 1.00 43.30 C ATOM 1312 C ASP A 648 -8.469 -4.096 -3.308 1.00 52.42 C ATOM 1313 O ASP A 648 -8.696 -5.272 -3.021 1.00 62.10 O ATOM 1314 CB ASP A 648 -10.388 -2.936 -4.417 1.00 30.32 C ATOM 1315 CG ASP A 648 -11.076 -4.243 -4.753 1.00 64.54 C ATOM 1316 OD1 ASP A 648 -10.473 -5.063 -5.477 1.00 45.34 O ATOM 1317 OD2 ASP A 648 -12.220 -4.447 -4.292 1.00 53.34 O ATOM 0 H ASP A 648 -9.141 -1.008 -3.523 1.00 31.13 H new ATOM 0 HA ASP A 648 -10.190 -3.314 -2.311 1.00 43.30 H new ATOM 0 HB2 ASP A 648 -11.138 -2.154 -4.297 1.00 30.32 H new ATOM 0 HB3 ASP A 648 -9.750 -2.640 -5.250 1.00 30.32 H new ATOM 1321 N ARG A 649 -7.295 -3.679 -3.773 1.00 23.43 N ATOM 1322 CA ARG A 649 -6.185 -4.600 -3.978 1.00 54.54 C ATOM 1323 C ARG A 649 -5.592 -5.043 -2.644 1.00 33.20 C ATOM 1324 O ARG A 649 -5.327 -6.226 -2.433 1.00 41.34 O ATOM 1325 CB ARG A 649 -5.101 -3.942 -4.836 1.00 32.23 C ATOM 1326 CG ARG A 649 -5.243 -4.229 -6.322 1.00 3.14 C ATOM 1327 CD ARG A 649 -3.887 -4.334 -7.002 1.00 14.34 C ATOM 1328 NE ARG A 649 -4.007 -4.409 -8.455 1.00 5.54 N ATOM 1329 CZ ARG A 649 -4.312 -5.525 -9.109 1.00 1.32 C ATOM 1330 NH1 ARG A 649 -4.525 -6.651 -8.443 1.00 24.34 N ATOM 1331 NH2 ARG A 649 -4.403 -5.514 -10.433 1.00 45.52 N ATOM 0 H ARG A 649 -7.089 -2.710 -4.014 1.00 23.43 H new ATOM 0 HA ARG A 649 -6.567 -5.480 -4.496 1.00 54.54 H new ATOM 0 HB2 ARG A 649 -5.129 -2.864 -4.678 1.00 32.23 H new ATOM 0 HB3 ARG A 649 -4.124 -4.288 -4.500 1.00 32.23 H new ATOM 0 HG2 ARG A 649 -5.795 -5.158 -6.463 1.00 3.14 H new ATOM 0 HG3 ARG A 649 -5.827 -3.438 -6.792 1.00 3.14 H new ATOM 0 HD2 ARG A 649 -3.279 -3.470 -6.733 1.00 14.34 H new ATOM 0 HD3 ARG A 649 -3.365 -5.218 -6.635 1.00 14.34 H new ATOM 0 HE ARG A 649 -3.848 -3.560 -8.997 1.00 5.54 H new ATOM 0 HH11 ARG A 649 -4.455 -6.663 -7.425 1.00 24.34 H new ATOM 0 HH12 ARG A 649 -4.759 -7.506 -8.948 1.00 24.34 H new ATOM 0 HH21 ARG A 649 -4.239 -4.649 -10.948 1.00 45.52 H new ATOM 0 HH22 ARG A 649 -4.637 -6.370 -10.935 1.00 45.52 H new ATOM 1342 N VAL A 650 -5.386 -4.085 -1.747 1.00 35.24 N ATOM 1343 CA VAL A 650 -4.825 -4.376 -0.432 1.00 71.32 C ATOM 1344 C VAL A 650 -5.732 -5.313 0.356 1.00 2.34 C ATOM 1345 O VAL A 650 -5.260 -6.128 1.150 1.00 3.23 O ATOM 1346 CB VAL A 650 -4.605 -3.086 0.382 1.00 43.54 C ATOM 1347 CG1 VAL A 650 -5.757 -2.862 1.350 1.00 43.52 C ATOM 1348 CG2 VAL A 650 -3.278 -3.146 1.124 1.00 24.21 C ATOM 0 H VAL A 650 -5.599 -3.100 -1.906 1.00 35.24 H new ATOM 0 HA VAL A 650 -3.863 -4.861 -0.598 1.00 71.32 H new ATOM 0 HB VAL A 650 -4.573 -2.242 -0.307 1.00 43.54 H new ATOM 0 HG11 VAL A 650 -5.584 -1.947 1.916 1.00 43.52 H new ATOM 0 HG12 VAL A 650 -6.689 -2.773 0.792 1.00 43.52 H new ATOM 0 HG13 VAL A 650 -5.825 -3.706 2.037 1.00 43.52 H new ATOM 0 HG21 VAL A 650 -3.138 -2.227 1.694 1.00 24.21 H new ATOM 0 HG22 VAL A 650 -3.279 -3.998 1.804 1.00 24.21 H new ATOM 0 HG23 VAL A 650 -2.465 -3.255 0.407 1.00 24.21 H new ATOM 1358 N LEU A 651 -7.036 -5.193 0.133 1.00 30.21 N ATOM 1359 CA LEU A 651 -8.011 -6.031 0.822 1.00 15.23 C ATOM 1360 C LEU A 651 -7.952 -7.467 0.313 1.00 71.21 C ATOM 1361 O LEU A 651 -8.002 -8.416 1.095 1.00 41.24 O ATOM 1362 CB LEU A 651 -9.420 -5.468 0.633 1.00 23.03 C ATOM 1363 CG LEU A 651 -9.929 -4.544 1.741 1.00 40.01 C ATOM 1364 CD1 LEU A 651 -10.213 -5.336 3.008 1.00 5.03 C ATOM 1365 CD2 LEU A 651 -8.921 -3.438 2.016 1.00 11.54 C ATOM 0 H LEU A 651 -7.443 -4.523 -0.520 1.00 30.21 H new ATOM 0 HA LEU A 651 -7.766 -6.032 1.884 1.00 15.23 H new ATOM 0 HB2 LEU A 651 -9.448 -4.921 -0.310 1.00 23.03 H new ATOM 0 HB3 LEU A 651 -10.113 -6.303 0.537 1.00 23.03 H new ATOM 0 HG LEU A 651 -10.860 -4.086 1.408 1.00 40.01 H new ATOM 0 HD11 LEU A 651 -10.574 -4.662 3.785 1.00 5.03 H new ATOM 0 HD12 LEU A 651 -10.971 -6.092 2.802 1.00 5.03 H new ATOM 0 HD13 LEU A 651 -9.298 -5.822 3.346 1.00 5.03 H new ATOM 0 HD21 LEU A 651 -9.299 -2.790 2.807 1.00 11.54 H new ATOM 0 HD22 LEU A 651 -7.974 -3.878 2.329 1.00 11.54 H new ATOM 0 HD23 LEU A 651 -8.767 -2.853 1.110 1.00 11.54 H new ATOM 1376 N ALA A 652 -7.843 -7.618 -1.003 1.00 64.14 N ATOM 1377 CA ALA A 652 -7.772 -8.939 -1.617 1.00 24.12 C ATOM 1378 C ALA A 652 -6.647 -9.769 -1.008 1.00 33.34 C ATOM 1379 O ALA A 652 -6.843 -10.929 -0.646 1.00 71.44 O ATOM 1380 CB ALA A 652 -7.582 -8.812 -3.121 1.00 1.24 C ATOM 0 H ALA A 652 -7.802 -6.843 -1.664 1.00 64.14 H new ATOM 0 HA ALA A 652 -8.713 -9.453 -1.422 1.00 24.12 H new ATOM 0 HB1 ALA A 652 -7.531 -9.806 -3.566 1.00 1.24 H new ATOM 0 HB2 ALA A 652 -8.422 -8.265 -3.549 1.00 1.24 H new ATOM 0 HB3 ALA A 652 -6.657 -8.274 -3.327 1.00 1.24 H new ATOM 1386 N ALA A 653 -5.468 -9.166 -0.896 1.00 43.33 N ATOM 1387 CA ALA A 653 -4.311 -9.849 -0.329 1.00 24.40 C ATOM 1388 C ALA A 653 -4.418 -9.939 1.190 1.00 50.34 C ATOM 1389 O ALA A 653 -4.117 -10.976 1.782 1.00 12.33 O ATOM 1390 CB ALA A 653 -3.029 -9.136 -0.729 1.00 10.02 C ATOM 0 H ALA A 653 -5.289 -8.206 -1.190 1.00 43.33 H new ATOM 0 HA ALA A 653 -4.287 -10.864 -0.726 1.00 24.40 H new ATOM 0 HB1 ALA A 653 -2.174 -9.657 -0.299 1.00 10.02 H new ATOM 0 HB2 ALA A 653 -2.940 -9.129 -1.815 1.00 10.02 H new ATOM 0 HB3 ALA A 653 -3.053 -8.111 -0.360 1.00 10.02 H new ATOM 1396 N HIS A 654 -4.846 -8.847 1.815 1.00 63.33 N ATOM 1397 CA HIS A 654 -4.991 -8.803 3.265 1.00 64.24 C ATOM 1398 C HIS A 654 -5.878 -9.943 3.757 1.00 63.12 C ATOM 1399 O HIS A 654 -5.553 -10.619 4.731 1.00 3.21 O ATOM 1400 CB HIS A 654 -5.579 -7.460 3.699 1.00 11.42 C ATOM 1401 CG HIS A 654 -5.926 -7.402 5.155 1.00 11.10 C ATOM 1402 ND1 HIS A 654 -7.189 -7.097 5.616 1.00 22.42 N ATOM 1403 CD2 HIS A 654 -5.166 -7.613 6.256 1.00 62.42 C ATOM 1404 CE1 HIS A 654 -7.192 -7.120 6.937 1.00 42.13 C ATOM 1405 NE2 HIS A 654 -5.977 -7.432 7.351 1.00 55.04 N ATOM 0 H HIS A 654 -5.098 -7.981 1.340 1.00 63.33 H new ATOM 0 HA HIS A 654 -4.002 -8.918 3.708 1.00 64.24 H new ATOM 0 HB2 HIS A 654 -4.864 -6.669 3.472 1.00 11.42 H new ATOM 0 HB3 HIS A 654 -6.475 -7.258 3.112 1.00 11.42 H new ATOM 0 HD2 HIS A 654 -4.118 -7.875 6.271 1.00 62.42 H new ATOM 0 HE1 HIS A 654 -8.043 -6.918 7.571 1.00 42.13 H new ATOM 0 HE2 HIS A 654 -5.688 -7.524 8.325 1.00 55.04 H new ATOM 1412 N ALA A 655 -7.001 -10.150 3.075 1.00 14.04 N ATOM 1413 CA ALA A 655 -7.934 -11.207 3.441 1.00 11.35 C ATOM 1414 C ALA A 655 -7.429 -12.570 2.978 1.00 71.52 C ATOM 1415 O ALA A 655 -7.455 -13.542 3.733 1.00 64.02 O ATOM 1416 CB ALA A 655 -9.309 -10.925 2.856 1.00 21.44 C ATOM 0 H ALA A 655 -7.286 -9.598 2.266 1.00 14.04 H new ATOM 0 HA ALA A 655 -8.012 -11.227 4.528 1.00 11.35 H new ATOM 0 HB1 ALA A 655 -9.995 -11.724 3.138 1.00 21.44 H new ATOM 0 HB2 ALA A 655 -9.680 -9.975 3.240 1.00 21.44 H new ATOM 0 HB3 ALA A 655 -9.239 -10.874 1.769 1.00 21.44 H new ATOM 1422 N TYR A 656 -6.971 -12.632 1.733 1.00 52.24 N ATOM 1423 CA TYR A 656 -6.463 -13.877 1.168 1.00 73.10 C ATOM 1424 C TYR A 656 -5.367 -14.468 2.049 1.00 25.11 C ATOM 1425 O TYR A 656 -5.405 -15.648 2.397 1.00 40.14 O ATOM 1426 CB TYR A 656 -5.924 -13.638 -0.244 1.00 31.54 C ATOM 1427 CG TYR A 656 -5.209 -14.834 -0.830 1.00 60.52 C ATOM 1428 CD1 TYR A 656 -5.914 -15.838 -1.482 1.00 71.24 C ATOM 1429 CD2 TYR A 656 -3.829 -14.960 -0.732 1.00 42.03 C ATOM 1430 CE1 TYR A 656 -5.266 -16.933 -2.019 1.00 52.32 C ATOM 1431 CE2 TYR A 656 -3.172 -16.051 -1.267 1.00 3.11 C ATOM 1432 CZ TYR A 656 -3.895 -17.036 -1.909 1.00 75.30 C ATOM 1433 OH TYR A 656 -3.245 -18.125 -2.443 1.00 75.24 O ATOM 0 H TYR A 656 -6.941 -11.836 1.096 1.00 52.24 H new ATOM 0 HA TYR A 656 -7.288 -14.588 1.120 1.00 73.10 H new ATOM 0 HB2 TYR A 656 -6.752 -13.364 -0.898 1.00 31.54 H new ATOM 0 HB3 TYR A 656 -5.239 -12.790 -0.224 1.00 31.54 H new ATOM 0 HD1 TYR A 656 -6.988 -15.761 -1.570 1.00 71.24 H new ATOM 0 HD2 TYR A 656 -3.260 -14.192 -0.229 1.00 42.03 H new ATOM 0 HE1 TYR A 656 -5.830 -17.704 -2.522 1.00 52.32 H new ATOM 0 HE2 TYR A 656 -2.098 -16.133 -1.183 1.00 3.11 H new ATOM 0 HH TYR A 656 -2.282 -18.043 -2.280 1.00 75.24 H new ATOM 1442 N TRP A 657 -4.394 -13.639 2.406 1.00 12.32 N ATOM 1443 CA TRP A 657 -3.286 -14.079 3.249 1.00 74.45 C ATOM 1444 C TRP A 657 -3.755 -14.329 4.678 1.00 51.22 C ATOM 1445 O TRP A 657 -3.240 -15.211 5.364 1.00 24.11 O ATOM 1446 CB TRP A 657 -2.167 -13.036 3.240 1.00 23.30 C ATOM 1447 CG TRP A 657 -1.483 -12.909 1.912 1.00 23.24 C ATOM 1448 CD1 TRP A 657 -1.421 -11.794 1.126 1.00 4.30 C ATOM 1449 CD2 TRP A 657 -0.768 -13.934 1.216 1.00 44.51 C ATOM 1450 NE1 TRP A 657 -0.709 -12.064 -0.017 1.00 42.23 N ATOM 1451 CE2 TRP A 657 -0.296 -13.370 0.014 1.00 61.13 C ATOM 1452 CE3 TRP A 657 -0.476 -15.274 1.491 1.00 33.13 C ATOM 1453 CZ2 TRP A 657 0.448 -14.101 -0.910 1.00 31.45 C ATOM 1454 CZ3 TRP A 657 0.262 -15.997 0.573 1.00 14.13 C ATOM 1455 CH2 TRP A 657 0.717 -15.409 -0.614 1.00 53.31 C ATOM 0 H TRP A 657 -4.348 -12.659 2.126 1.00 12.32 H new ATOM 0 HA TRP A 657 -2.903 -15.016 2.844 1.00 74.45 H new ATOM 0 HB2 TRP A 657 -2.581 -12.068 3.522 1.00 23.30 H new ATOM 0 HB3 TRP A 657 -1.429 -13.300 3.997 1.00 23.30 H new ATOM 0 HD1 TRP A 657 -1.866 -10.840 1.368 1.00 4.30 H new ATOM 0 HE1 TRP A 657 -0.519 -11.400 -0.767 1.00 42.23 H new ATOM 0 HE3 TRP A 657 -0.821 -15.735 2.404 1.00 33.13 H new ATOM 0 HZ2 TRP A 657 0.800 -13.651 -1.827 1.00 31.45 H new ATOM 0 HZ3 TRP A 657 0.492 -17.033 0.774 1.00 14.13 H new ATOM 0 HH2 TRP A 657 1.292 -16.001 -1.310 1.00 53.31 H new ATOM 1465 N SER A 658 -4.735 -13.547 5.120 1.00 15.12 N ATOM 1466 CA SER A 658 -5.269 -13.681 6.469 1.00 23.44 C ATOM 1467 C SER A 658 -5.940 -15.040 6.655 1.00 32.12 C ATOM 1468 O SER A 658 -5.930 -15.604 7.749 1.00 55.13 O ATOM 1469 CB SER A 658 -6.271 -12.561 6.758 1.00 63.23 C ATOM 1470 OG SER A 658 -6.949 -12.786 7.982 1.00 1.33 O ATOM 0 H SER A 658 -5.175 -12.814 4.563 1.00 15.12 H new ATOM 0 HA SER A 658 -4.439 -13.606 7.171 1.00 23.44 H new ATOM 0 HB2 SER A 658 -5.750 -11.604 6.798 1.00 63.23 H new ATOM 0 HB3 SER A 658 -6.994 -12.497 5.945 1.00 63.23 H new ATOM 0 HG SER A 658 -7.582 -12.056 8.144 1.00 1.33 H new ATOM 1475 N GLN A 659 -6.522 -15.557 5.578 1.00 13.21 N ATOM 1476 CA GLN A 659 -7.198 -16.849 5.622 1.00 35.32 C ATOM 1477 C GLN A 659 -6.244 -17.946 6.081 1.00 63.42 C ATOM 1478 O GLN A 659 -6.674 -18.974 6.605 1.00 53.33 O ATOM 1479 CB GLN A 659 -7.770 -17.195 4.246 1.00 15.25 C ATOM 1480 CG GLN A 659 -8.888 -18.224 4.294 1.00 12.21 C ATOM 1481 CD GLN A 659 -9.675 -18.291 3.000 1.00 44.24 C ATOM 1482 OE1 GLN A 659 -10.906 -18.326 3.009 1.00 0.32 O ATOM 1483 NE2 GLN A 659 -8.967 -18.309 1.876 1.00 4.24 N ATOM 0 H GLN A 659 -6.539 -15.102 4.665 1.00 13.21 H new ATOM 0 HA GLN A 659 -8.015 -16.780 6.340 1.00 35.32 H new ATOM 0 HB2 GLN A 659 -8.145 -16.285 3.778 1.00 15.25 H new ATOM 0 HB3 GLN A 659 -6.967 -17.572 3.612 1.00 15.25 H new ATOM 0 HG2 GLN A 659 -8.465 -19.205 4.509 1.00 12.21 H new ATOM 0 HG3 GLN A 659 -9.564 -17.982 5.114 1.00 12.21 H new ATOM 0 HE21 GLN A 659 -7.948 -18.278 1.914 1.00 4.24 H new ATOM 0 HE22 GLN A 659 -9.442 -18.353 0.975 1.00 4.24 H new