USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 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 23:sc= 0.18 USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -171:sc= 0.384 (180deg=0.337) USER MOD Single : A 622 LYS NZ :NH3+ -129:sc= -0.181 (180deg=-1.31!) USER MOD Single : A 624 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00844) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HE2:sc= 0.521 K(o=0.52,f=-2.8!) USER MOD Single : A 629 THR OG1 : rot 86:sc= 1.05 USER MOD Single : A 631 SER OG : rot 68:sc= 0.909 USER MOD Single : A 644 GLN : amide:sc= 0.0771 X(o=0.077,f=-0.012) USER MOD Single : A 654 HIS : no HD1:sc= -1.67 X(o=-1.7,f=-1.7) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 2.234 9.875 -2.039 1.00 31.21 N ATOM 322 CA SER A 581 1.374 10.184 -3.175 1.00 45.13 C ATOM 323 C SER A 581 0.719 8.919 -3.721 1.00 41.54 C ATOM 324 O SER A 581 1.210 7.811 -3.508 1.00 3.33 O ATOM 325 CB SER A 581 2.177 10.873 -4.279 1.00 15.31 C ATOM 326 OG SER A 581 2.914 11.969 -3.766 1.00 73.22 O ATOM 0 HA SER A 581 0.590 10.859 -2.831 1.00 45.13 H new ATOM 0 HB2 SER A 581 2.858 10.157 -4.739 1.00 15.31 H new ATOM 0 HB3 SER A 581 1.502 11.219 -5.062 1.00 15.31 H new ATOM 0 HG SER A 581 3.049 11.850 -2.803 1.00 73.22 H new ATOM 331 N VAL A 582 -0.395 9.094 -4.426 1.00 25.03 N ATOM 332 CA VAL A 582 -1.119 7.967 -5.004 1.00 35.45 C ATOM 333 C VAL A 582 -0.187 7.076 -5.817 1.00 20.04 C ATOM 334 O VAL A 582 -0.304 5.851 -5.792 1.00 44.14 O ATOM 335 CB VAL A 582 -2.272 8.444 -5.906 1.00 44.33 C ATOM 336 CG1 VAL A 582 -2.996 7.256 -6.520 1.00 3.35 C ATOM 337 CG2 VAL A 582 -3.237 9.318 -5.119 1.00 73.54 C ATOM 0 H VAL A 582 -0.815 10.005 -4.611 1.00 25.03 H new ATOM 0 HA VAL A 582 -1.531 7.395 -4.173 1.00 35.45 H new ATOM 0 HB VAL A 582 -1.853 9.042 -6.716 1.00 44.33 H new ATOM 0 HG11 VAL A 582 -3.808 7.613 -7.154 1.00 3.35 H new ATOM 0 HG12 VAL A 582 -2.296 6.674 -7.119 1.00 3.35 H new ATOM 0 HG13 VAL A 582 -3.404 6.629 -5.727 1.00 3.35 H new ATOM 0 HG21 VAL A 582 -4.046 9.646 -5.772 1.00 73.54 H new ATOM 0 HG22 VAL A 582 -3.651 8.746 -4.288 1.00 73.54 H new ATOM 0 HG23 VAL A 582 -2.707 10.188 -4.732 1.00 73.54 H new ATOM 347 N ALA A 583 0.739 7.699 -6.539 1.00 4.23 N ATOM 348 CA ALA A 583 1.692 6.962 -7.359 1.00 1.03 C ATOM 349 C ALA A 583 2.725 6.248 -6.493 1.00 62.20 C ATOM 350 O ALA A 583 3.206 5.172 -6.846 1.00 63.13 O ATOM 351 CB ALA A 583 2.381 7.900 -8.340 1.00 74.52 C ATOM 0 H ALA A 583 0.849 8.712 -6.572 1.00 4.23 H new ATOM 0 HA ALA A 583 1.142 6.207 -7.920 1.00 1.03 H new ATOM 0 HB1 ALA A 583 3.090 7.336 -8.946 1.00 74.52 H new ATOM 0 HB2 ALA A 583 1.635 8.360 -8.988 1.00 74.52 H new ATOM 0 HB3 ALA A 583 2.912 8.677 -7.789 1.00 74.52 H new ATOM 357 N GLU A 584 3.060 6.855 -5.358 1.00 32.25 N ATOM 358 CA GLU A 584 4.036 6.276 -4.443 1.00 14.11 C ATOM 359 C GLU A 584 3.431 5.109 -3.668 1.00 72.02 C ATOM 360 O GLU A 584 3.951 3.994 -3.697 1.00 21.04 O ATOM 361 CB GLU A 584 4.548 7.339 -3.469 1.00 1.13 C ATOM 362 CG GLU A 584 5.192 8.533 -4.154 1.00 42.24 C ATOM 363 CD GLU A 584 6.697 8.566 -3.978 1.00 72.52 C ATOM 364 OE1 GLU A 584 7.367 7.611 -4.424 1.00 11.02 O ATOM 365 OE2 GLU A 584 7.206 9.545 -3.393 1.00 23.30 O ATOM 0 H GLU A 584 2.670 7.746 -5.051 1.00 32.25 H new ATOM 0 HA GLU A 584 4.872 5.902 -5.034 1.00 14.11 H new ATOM 0 HB2 GLU A 584 3.717 7.687 -2.855 1.00 1.13 H new ATOM 0 HB3 GLU A 584 5.273 6.883 -2.795 1.00 1.13 H new ATOM 0 HG2 GLU A 584 4.955 8.508 -5.218 1.00 42.24 H new ATOM 0 HG3 GLU A 584 4.763 9.452 -3.753 1.00 42.24 H new ATOM 370 N VAL A 585 2.329 5.376 -2.974 1.00 71.43 N ATOM 371 CA VAL A 585 1.652 4.349 -2.191 1.00 13.32 C ATOM 372 C VAL A 585 1.326 3.131 -3.047 1.00 44.10 C ATOM 373 O VAL A 585 1.329 2.001 -2.562 1.00 32.45 O ATOM 374 CB VAL A 585 0.350 4.887 -1.566 1.00 34.11 C ATOM 375 CG1 VAL A 585 -0.473 5.632 -2.606 1.00 13.01 C ATOM 376 CG2 VAL A 585 -0.454 3.752 -0.951 1.00 35.55 C ATOM 0 H VAL A 585 1.886 6.294 -2.938 1.00 71.43 H new ATOM 0 HA VAL A 585 2.336 4.057 -1.394 1.00 13.32 H new ATOM 0 HB VAL A 585 0.610 5.588 -0.773 1.00 34.11 H new ATOM 0 HG11 VAL A 585 -1.389 6.005 -2.147 1.00 13.01 H new ATOM 0 HG12 VAL A 585 0.105 6.470 -2.995 1.00 13.01 H new ATOM 0 HG13 VAL A 585 -0.726 4.956 -3.422 1.00 13.01 H new ATOM 0 HG21 VAL A 585 -1.370 4.150 -0.514 1.00 35.55 H new ATOM 0 HG22 VAL A 585 -0.706 3.025 -1.723 1.00 35.55 H new ATOM 0 HG23 VAL A 585 0.137 3.267 -0.174 1.00 35.55 H new ATOM 386 N GLU A 586 1.044 3.370 -4.325 1.00 64.42 N ATOM 387 CA GLU A 586 0.715 2.291 -5.249 1.00 24.42 C ATOM 388 C GLU A 586 1.752 1.174 -5.171 1.00 11.21 C ATOM 389 O GLU A 586 1.438 0.004 -5.392 1.00 42.43 O ATOM 390 CB GLU A 586 0.630 2.824 -6.680 1.00 40.11 C ATOM 391 CG GLU A 586 1.918 2.659 -7.469 1.00 34.01 C ATOM 392 CD GLU A 586 1.950 3.517 -8.719 1.00 35.41 C ATOM 393 OE1 GLU A 586 0.865 3.876 -9.220 1.00 12.43 O ATOM 394 OE2 GLU A 586 3.061 3.830 -9.194 1.00 13.33 O ATOM 0 H GLU A 586 1.037 4.300 -4.743 1.00 64.42 H new ATOM 0 HA GLU A 586 -0.255 1.884 -4.963 1.00 24.42 H new ATOM 0 HB2 GLU A 586 -0.175 2.308 -7.203 1.00 40.11 H new ATOM 0 HB3 GLU A 586 0.365 3.881 -6.650 1.00 40.11 H new ATOM 0 HG2 GLU A 586 2.765 2.918 -6.833 1.00 34.01 H new ATOM 0 HG3 GLU A 586 2.037 1.612 -7.748 1.00 34.01 H new ATOM 399 N ALA A 587 2.989 1.543 -4.856 1.00 64.51 N ATOM 400 CA ALA A 587 4.071 0.573 -4.748 1.00 33.33 C ATOM 401 C ALA A 587 3.964 -0.227 -3.454 1.00 22.10 C ATOM 402 O ALA A 587 4.195 -1.437 -3.440 1.00 21.21 O ATOM 403 CB ALA A 587 5.419 1.275 -4.825 1.00 13.04 C ATOM 0 H ALA A 587 3.267 2.507 -4.671 1.00 64.51 H new ATOM 0 HA ALA A 587 3.987 -0.122 -5.583 1.00 33.33 H new ATOM 0 HB1 ALA A 587 6.218 0.538 -4.743 1.00 13.04 H new ATOM 0 HB2 ALA A 587 5.503 1.797 -5.778 1.00 13.04 H new ATOM 0 HB3 ALA A 587 5.502 1.993 -4.009 1.00 13.04 H new ATOM 409 N LEU A 588 3.614 0.454 -2.369 1.00 44.54 N ATOM 410 CA LEU A 588 3.476 -0.193 -1.070 1.00 21.54 C ATOM 411 C LEU A 588 2.538 -1.393 -1.155 1.00 11.43 C ATOM 412 O LEU A 588 2.902 -2.508 -0.782 1.00 15.35 O ATOM 413 CB LEU A 588 2.954 0.803 -0.034 1.00 60.31 C ATOM 414 CG LEU A 588 3.122 0.398 1.431 1.00 33.30 C ATOM 415 CD1 LEU A 588 2.195 -0.756 1.777 1.00 1.12 C ATOM 416 CD2 LEU A 588 4.570 0.025 1.719 1.00 72.23 C ATOM 0 H LEU A 588 3.420 1.455 -2.363 1.00 44.54 H new ATOM 0 HA LEU A 588 4.460 -0.546 -0.762 1.00 21.54 H new ATOM 0 HB2 LEU A 588 3.461 1.755 -0.187 1.00 60.31 H new ATOM 0 HB3 LEU A 588 1.894 0.972 -0.224 1.00 60.31 H new ATOM 0 HG LEU A 588 2.855 1.251 2.055 1.00 33.30 H new ATOM 0 HD11 LEU A 588 2.329 -1.030 2.824 1.00 1.12 H new ATOM 0 HD12 LEU A 588 1.161 -0.454 1.611 1.00 1.12 H new ATOM 0 HD13 LEU A 588 2.429 -1.613 1.145 1.00 1.12 H new ATOM 0 HD21 LEU A 588 4.671 -0.260 2.766 1.00 72.23 H new ATOM 0 HD22 LEU A 588 4.863 -0.812 1.085 1.00 72.23 H new ATOM 0 HD23 LEU A 588 5.214 0.880 1.512 1.00 72.23 H new ATOM 427 N VAL A 589 1.327 -1.157 -1.652 1.00 34.20 N ATOM 428 CA VAL A 589 0.337 -2.218 -1.790 1.00 32.11 C ATOM 429 C VAL A 589 0.764 -3.234 -2.843 1.00 30.35 C ATOM 430 O VAL A 589 0.655 -4.442 -2.634 1.00 5.24 O ATOM 431 CB VAL A 589 -1.043 -1.652 -2.171 1.00 60.34 C ATOM 432 CG1 VAL A 589 -0.952 -0.839 -3.454 1.00 62.33 C ATOM 433 CG2 VAL A 589 -2.060 -2.775 -2.312 1.00 53.10 C ATOM 0 H VAL A 589 1.009 -0.240 -1.966 1.00 34.20 H new ATOM 0 HA VAL A 589 0.265 -2.711 -0.821 1.00 32.11 H new ATOM 0 HB VAL A 589 -1.377 -0.989 -1.373 1.00 60.34 H new ATOM 0 HG11 VAL A 589 -1.937 -0.447 -3.707 1.00 62.33 H new ATOM 0 HG12 VAL A 589 -0.258 -0.011 -3.311 1.00 62.33 H new ATOM 0 HG13 VAL A 589 -0.596 -1.476 -4.264 1.00 62.33 H new ATOM 0 HG21 VAL A 589 -3.030 -2.356 -2.582 1.00 53.10 H new ATOM 0 HG22 VAL A 589 -1.734 -3.465 -3.090 1.00 53.10 H new ATOM 0 HG23 VAL A 589 -2.146 -3.309 -1.366 1.00 53.10 H new ATOM 443 N GLU A 590 1.253 -2.737 -3.974 1.00 53.53 N ATOM 444 CA GLU A 590 1.697 -3.603 -5.060 1.00 13.31 C ATOM 445 C GLU A 590 2.715 -4.624 -4.560 1.00 4.53 C ATOM 446 O GLU A 590 2.611 -5.814 -4.857 1.00 21.33 O ATOM 447 CB GLU A 590 2.308 -2.770 -6.189 1.00 52.20 C ATOM 448 CG GLU A 590 1.305 -2.360 -7.255 1.00 60.03 C ATOM 449 CD GLU A 590 1.134 -3.412 -8.332 1.00 21.04 C ATOM 450 OE1 GLU A 590 1.785 -4.474 -8.232 1.00 62.53 O ATOM 451 OE2 GLU A 590 0.350 -3.176 -9.274 1.00 3.01 O ATOM 0 H GLU A 590 1.352 -1.739 -4.162 1.00 53.53 H new ATOM 0 HA GLU A 590 0.828 -4.138 -5.442 1.00 13.31 H new ATOM 0 HB2 GLU A 590 2.760 -1.874 -5.764 1.00 52.20 H new ATOM 0 HB3 GLU A 590 3.110 -3.341 -6.657 1.00 52.20 H new ATOM 0 HG2 GLU A 590 0.341 -2.166 -6.785 1.00 60.03 H new ATOM 0 HG3 GLU A 590 1.630 -1.426 -7.713 1.00 60.03 H new ATOM 456 N ALA A 591 3.696 -4.150 -3.802 1.00 33.41 N ATOM 457 CA ALA A 591 4.731 -5.021 -3.259 1.00 23.24 C ATOM 458 C ALA A 591 4.149 -6.000 -2.244 1.00 12.02 C ATOM 459 O ALA A 591 4.581 -7.150 -2.157 1.00 60.13 O ATOM 460 CB ALA A 591 5.837 -4.194 -2.621 1.00 14.14 C ATOM 0 H ALA A 591 3.797 -3.167 -3.549 1.00 33.41 H new ATOM 0 HA ALA A 591 5.152 -5.598 -4.082 1.00 23.24 H new ATOM 0 HB1 ALA A 591 6.603 -4.858 -2.220 1.00 14.14 H new ATOM 0 HB2 ALA A 591 6.281 -3.540 -3.371 1.00 14.14 H new ATOM 0 HB3 ALA A 591 5.421 -3.591 -1.814 1.00 14.14 H new ATOM 466 N VAL A 592 3.166 -5.537 -1.479 1.00 74.03 N ATOM 467 CA VAL A 592 2.525 -6.371 -0.470 1.00 62.02 C ATOM 468 C VAL A 592 1.595 -7.395 -1.114 1.00 74.21 C ATOM 469 O VAL A 592 1.322 -8.446 -0.537 1.00 3.32 O ATOM 470 CB VAL A 592 1.719 -5.521 0.531 1.00 60.41 C ATOM 471 CG1 VAL A 592 0.890 -6.413 1.443 1.00 21.52 C ATOM 472 CG2 VAL A 592 2.648 -4.632 1.344 1.00 14.53 C ATOM 0 H VAL A 592 2.796 -4.588 -1.539 1.00 74.03 H new ATOM 0 HA VAL A 592 3.321 -6.891 0.064 1.00 62.02 H new ATOM 0 HB VAL A 592 1.038 -4.881 -0.029 1.00 60.41 H new ATOM 0 HG11 VAL A 592 0.328 -5.795 2.143 1.00 21.52 H new ATOM 0 HG12 VAL A 592 0.198 -7.004 0.843 1.00 21.52 H new ATOM 0 HG13 VAL A 592 1.550 -7.080 1.997 1.00 21.52 H new ATOM 0 HG21 VAL A 592 2.062 -4.039 2.046 1.00 14.53 H new ATOM 0 HG22 VAL A 592 3.355 -5.252 1.895 1.00 14.53 H new ATOM 0 HG23 VAL A 592 3.194 -3.967 0.674 1.00 14.53 H new ATOM 482 N GLU A 593 1.115 -7.078 -2.311 1.00 14.32 N ATOM 483 CA GLU A 593 0.217 -7.971 -3.033 1.00 40.31 C ATOM 484 C GLU A 593 0.970 -9.185 -3.570 1.00 32.30 C ATOM 485 O GLU A 593 0.476 -10.312 -3.514 1.00 40.22 O ATOM 486 CB GLU A 593 -0.460 -7.227 -4.187 1.00 23.43 C ATOM 487 CG GLU A 593 -1.922 -6.903 -3.927 1.00 12.41 C ATOM 488 CD GLU A 593 -2.828 -8.105 -4.113 1.00 70.05 C ATOM 489 OE1 GLU A 593 -2.473 -8.999 -4.909 1.00 71.21 O ATOM 490 OE2 GLU A 593 -3.893 -8.150 -3.462 1.00 61.22 O ATOM 0 H GLU A 593 1.332 -6.210 -2.801 1.00 14.32 H new ATOM 0 HA GLU A 593 -0.545 -8.317 -2.335 1.00 40.31 H new ATOM 0 HB2 GLU A 593 0.081 -6.300 -4.378 1.00 23.43 H new ATOM 0 HB3 GLU A 593 -0.386 -7.831 -5.091 1.00 23.43 H new ATOM 0 HG2 GLU A 593 -2.031 -6.524 -2.911 1.00 12.41 H new ATOM 0 HG3 GLU A 593 -2.239 -6.106 -4.600 1.00 12.41 H new ATOM 495 N HIS A 594 2.170 -8.947 -4.089 1.00 55.21 N ATOM 496 CA HIS A 594 2.994 -10.020 -4.635 1.00 41.23 C ATOM 497 C HIS A 594 3.836 -10.669 -3.542 1.00 64.12 C ATOM 498 O HIS A 594 3.912 -11.895 -3.448 1.00 31.53 O ATOM 499 CB HIS A 594 3.901 -9.481 -5.742 1.00 31.13 C ATOM 500 CG HIS A 594 4.677 -10.548 -6.453 1.00 63.14 C ATOM 501 ND1 HIS A 594 5.931 -10.339 -6.986 1.00 42.10 N ATOM 502 CD2 HIS A 594 4.368 -11.840 -6.715 1.00 11.42 C ATOM 503 CE1 HIS A 594 6.360 -11.455 -7.547 1.00 60.20 C ATOM 504 NE2 HIS A 594 5.431 -12.381 -7.397 1.00 64.34 N ATOM 0 H HIS A 594 2.594 -8.021 -4.143 1.00 55.21 H new ATOM 0 HA HIS A 594 2.331 -10.777 -5.054 1.00 41.23 H new ATOM 0 HB2 HIS A 594 3.293 -8.941 -6.468 1.00 31.13 H new ATOM 0 HB3 HIS A 594 4.598 -8.762 -5.312 1.00 31.13 H new ATOM 0 HD2 HIS A 594 3.457 -12.350 -6.439 1.00 11.42 H new ATOM 0 HE1 HIS A 594 7.310 -11.588 -8.044 1.00 60.20 H new ATOM 0 HE2 HIS A 594 5.492 -13.342 -7.733 1.00 64.34 H new ATOM 511 N LEU A 595 4.467 -9.841 -2.717 1.00 62.11 N ATOM 512 CA LEU A 595 5.304 -10.334 -1.629 1.00 34.14 C ATOM 513 C LEU A 595 4.453 -10.785 -0.447 1.00 50.24 C ATOM 514 O LEU A 595 4.881 -11.606 0.362 1.00 64.43 O ATOM 515 CB LEU A 595 6.284 -9.249 -1.181 1.00 35.24 C ATOM 516 CG LEU A 595 7.118 -8.599 -2.287 1.00 13.31 C ATOM 517 CD1 LEU A 595 7.812 -7.350 -1.768 1.00 35.21 C ATOM 518 CD2 LEU A 595 8.136 -9.588 -2.838 1.00 52.14 C ATOM 0 H LEU A 595 4.415 -8.824 -2.781 1.00 62.11 H new ATOM 0 HA LEU A 595 5.865 -11.193 -1.997 1.00 34.14 H new ATOM 0 HB2 LEU A 595 5.721 -8.467 -0.671 1.00 35.24 H new ATOM 0 HB3 LEU A 595 6.964 -9.682 -0.448 1.00 35.24 H new ATOM 0 HG LEU A 595 6.449 -8.308 -3.097 1.00 13.31 H new ATOM 0 HD11 LEU A 595 8.400 -6.901 -2.568 1.00 35.21 H new ATOM 0 HD12 LEU A 595 7.065 -6.635 -1.423 1.00 35.21 H new ATOM 0 HD13 LEU A 595 8.469 -7.616 -0.940 1.00 35.21 H new ATOM 0 HD21 LEU A 595 8.720 -9.109 -3.624 1.00 52.14 H new ATOM 0 HD22 LEU A 595 8.801 -9.910 -2.037 1.00 52.14 H new ATOM 0 HD23 LEU A 595 7.617 -10.454 -3.249 1.00 52.14 H new ATOM 529 N GLY A 596 3.242 -10.243 -0.355 1.00 2.54 N ATOM 530 CA GLY A 596 2.348 -10.603 0.729 1.00 61.14 C ATOM 531 C GLY A 596 2.624 -9.814 1.994 1.00 2.34 C ATOM 532 O GLY A 596 3.457 -8.907 2.000 1.00 24.12 O ATOM 0 H GLY A 596 2.865 -9.561 -1.013 1.00 2.54 H new ATOM 0 HA2 GLY A 596 1.317 -10.435 0.417 1.00 61.14 H new ATOM 0 HA3 GLY A 596 2.447 -11.668 0.940 1.00 61.14 H new ATOM 536 N THR A 597 1.922 -10.159 3.069 1.00 70.22 N ATOM 537 CA THR A 597 2.093 -9.475 4.344 1.00 34.41 C ATOM 538 C THR A 597 3.105 -10.199 5.226 1.00 4.44 C ATOM 539 O THR A 597 3.027 -10.143 6.452 1.00 14.24 O ATOM 540 CB THR A 597 0.757 -9.360 5.104 1.00 34.32 C ATOM 541 OG1 THR A 597 0.202 -10.663 5.318 1.00 31.11 O ATOM 542 CG2 THR A 597 -0.232 -8.501 4.332 1.00 24.35 C ATOM 0 H THR A 597 1.230 -10.908 3.082 1.00 70.22 H new ATOM 0 HA THR A 597 2.462 -8.474 4.118 1.00 34.41 H new ATOM 0 HB THR A 597 0.950 -8.886 6.066 1.00 34.32 H new ATOM 0 HG1 THR A 597 -0.646 -10.582 5.803 1.00 31.11 H new ATOM 0 HG21 THR A 597 -1.167 -8.434 4.888 1.00 24.35 H new ATOM 0 HG22 THR A 597 0.182 -7.502 4.197 1.00 24.35 H new ATOM 0 HG23 THR A 597 -0.421 -8.950 3.357 1.00 24.35 H new ATOM 550 N GLY A 598 4.055 -10.881 4.590 1.00 61.12 N ATOM 551 CA GLY A 598 5.069 -11.606 5.333 1.00 20.10 C ATOM 552 C GLY A 598 6.475 -11.185 4.956 1.00 73.12 C ATOM 553 O GLY A 598 7.443 -11.570 5.613 1.00 65.25 O ATOM 0 H GLY A 598 4.139 -10.944 3.575 1.00 61.12 H new ATOM 0 HA2 GLY A 598 4.918 -11.444 6.400 1.00 20.10 H new ATOM 0 HA3 GLY A 598 4.952 -12.675 5.153 1.00 20.10 H new ATOM 557 N ARG A 599 6.590 -10.394 3.895 1.00 50.55 N ATOM 558 CA ARG A 599 7.889 -9.923 3.430 1.00 53.34 C ATOM 559 C ARG A 599 7.944 -8.397 3.424 1.00 43.15 C ATOM 560 O ARG A 599 7.811 -7.766 2.376 1.00 43.44 O ATOM 561 CB ARG A 599 8.178 -10.459 2.027 1.00 24.31 C ATOM 562 CG ARG A 599 8.629 -11.910 2.011 1.00 30.43 C ATOM 563 CD ARG A 599 8.632 -12.478 0.600 1.00 73.10 C ATOM 564 NE ARG A 599 9.952 -12.397 -0.020 1.00 71.21 N ATOM 565 CZ ARG A 599 10.191 -12.724 -1.284 1.00 50.43 C ATOM 566 NH1 ARG A 599 9.204 -13.152 -2.060 1.00 72.33 N ATOM 567 NH2 ARG A 599 11.419 -12.624 -1.776 1.00 73.14 N ATOM 0 H ARG A 599 5.799 -10.066 3.341 1.00 50.55 H new ATOM 0 HA ARG A 599 8.649 -10.295 4.117 1.00 53.34 H new ATOM 0 HB2 ARG A 599 7.280 -10.360 1.417 1.00 24.31 H new ATOM 0 HB3 ARG A 599 8.948 -9.843 1.563 1.00 24.31 H new ATOM 0 HG2 ARG A 599 9.630 -11.986 2.437 1.00 30.43 H new ATOM 0 HG3 ARG A 599 7.968 -12.504 2.642 1.00 30.43 H new ATOM 0 HD2 ARG A 599 8.308 -13.518 0.627 1.00 73.10 H new ATOM 0 HD3 ARG A 599 7.911 -11.935 -0.011 1.00 73.10 H new ATOM 0 HE ARG A 599 10.733 -12.071 0.550 1.00 71.21 H new ATOM 0 HH11 ARG A 599 8.258 -13.231 -1.686 1.00 72.33 H new ATOM 0 HH12 ARG A 599 9.391 -13.403 -3.031 1.00 72.33 H new ATOM 0 HH21 ARG A 599 12.181 -12.296 -1.183 1.00 73.14 H new ATOM 0 HH22 ARG A 599 11.601 -12.876 -2.748 1.00 73.14 H new ATOM 578 N TRP A 600 8.140 -7.813 4.600 1.00 4.32 N ATOM 579 CA TRP A 600 8.211 -6.361 4.730 1.00 21.14 C ATOM 580 C TRP A 600 9.463 -5.815 4.053 1.00 5.43 C ATOM 581 O TRP A 600 9.390 -4.880 3.255 1.00 52.15 O ATOM 582 CB TRP A 600 8.200 -5.960 6.206 1.00 44.24 C ATOM 583 CG TRP A 600 7.177 -6.700 7.015 1.00 50.11 C ATOM 584 CD1 TRP A 600 5.854 -6.862 6.714 1.00 15.11 C ATOM 585 CD2 TRP A 600 7.393 -7.376 8.258 1.00 44.23 C ATOM 586 NE1 TRP A 600 5.235 -7.597 7.695 1.00 1.10 N ATOM 587 CE2 TRP A 600 6.158 -7.925 8.653 1.00 44.11 C ATOM 588 CE3 TRP A 600 8.509 -7.572 9.075 1.00 31.11 C ATOM 589 CZ2 TRP A 600 6.011 -8.656 9.830 1.00 44.45 C ATOM 590 CZ3 TRP A 600 8.362 -8.297 10.242 1.00 44.24 C ATOM 591 CH2 TRP A 600 7.120 -8.833 10.610 1.00 35.30 C ATOM 0 H TRP A 600 8.253 -8.321 5.477 1.00 4.32 H new ATOM 0 HA TRP A 600 7.338 -5.934 4.237 1.00 21.14 H new ATOM 0 HB2 TRP A 600 9.188 -6.139 6.631 1.00 44.24 H new ATOM 0 HB3 TRP A 600 8.009 -4.890 6.283 1.00 44.24 H new ATOM 0 HD1 TRP A 600 5.367 -6.470 5.834 1.00 15.11 H new ATOM 0 HE1 TRP A 600 4.249 -7.857 7.708 1.00 1.10 H new ATOM 0 HE3 TRP A 600 9.470 -7.164 8.799 1.00 31.11 H new ATOM 0 HZ2 TRP A 600 5.055 -9.068 10.116 1.00 44.45 H new ATOM 0 HZ3 TRP A 600 9.218 -8.453 10.881 1.00 44.24 H new ATOM 0 HH2 TRP A 600 7.038 -9.397 11.527 1.00 35.30 H new ATOM 601 N ARG A 601 10.610 -6.406 4.373 1.00 53.32 N ATOM 602 CA ARG A 601 11.878 -5.977 3.795 1.00 41.42 C ATOM 603 C ARG A 601 11.802 -5.961 2.271 1.00 51.15 C ATOM 604 O ARG A 601 12.251 -5.012 1.627 1.00 41.42 O ATOM 605 CB ARG A 601 13.009 -6.900 4.251 1.00 11.43 C ATOM 606 CG ARG A 601 13.442 -6.669 5.689 1.00 13.20 C ATOM 607 CD ARG A 601 12.600 -7.480 6.662 1.00 54.24 C ATOM 608 NE ARG A 601 13.312 -7.749 7.908 1.00 63.14 N ATOM 609 CZ ARG A 601 14.330 -8.595 8.005 1.00 13.45 C ATOM 610 NH1 ARG A 601 14.755 -9.251 6.934 1.00 31.02 N ATOM 611 NH2 ARG A 601 14.926 -8.787 9.175 1.00 15.14 N ATOM 0 H ARG A 601 10.687 -7.183 5.029 1.00 53.32 H new ATOM 0 HA ARG A 601 12.083 -4.964 4.142 1.00 41.42 H new ATOM 0 HB2 ARG A 601 12.689 -7.936 4.139 1.00 11.43 H new ATOM 0 HB3 ARG A 601 13.868 -6.759 3.595 1.00 11.43 H new ATOM 0 HG2 ARG A 601 14.492 -6.939 5.802 1.00 13.20 H new ATOM 0 HG3 ARG A 601 13.358 -5.609 5.930 1.00 13.20 H new ATOM 0 HD2 ARG A 601 11.678 -6.941 6.880 1.00 54.24 H new ATOM 0 HD3 ARG A 601 12.315 -8.423 6.196 1.00 54.24 H new ATOM 0 HE ARG A 601 13.010 -7.260 8.751 1.00 63.14 H new ATOM 0 HH11 ARG A 601 14.299 -9.106 6.033 1.00 31.02 H new ATOM 0 HH12 ARG A 601 15.538 -9.901 7.011 1.00 31.02 H new ATOM 0 HH21 ARG A 601 14.602 -8.284 10.001 1.00 15.14 H new ATOM 0 HH22 ARG A 601 15.708 -9.437 9.248 1.00 15.14 H new ATOM 622 N ASP A 602 11.233 -7.017 1.701 1.00 5.32 N ATOM 623 CA ASP A 602 11.098 -7.124 0.253 1.00 11.44 C ATOM 624 C ASP A 602 10.177 -6.036 -0.290 1.00 61.21 C ATOM 625 O ASP A 602 10.381 -5.529 -1.393 1.00 60.02 O ATOM 626 CB ASP A 602 10.559 -8.504 -0.129 1.00 2.41 C ATOM 627 CG ASP A 602 11.330 -9.631 0.531 1.00 53.44 C ATOM 628 OD1 ASP A 602 11.246 -9.760 1.770 1.00 51.52 O ATOM 629 OD2 ASP A 602 12.018 -10.381 -0.192 1.00 23.44 O ATOM 0 H ASP A 602 10.858 -7.811 2.219 1.00 5.32 H new ATOM 0 HA ASP A 602 12.085 -6.992 -0.190 1.00 11.44 H new ATOM 0 HB2 ASP A 602 9.509 -8.572 0.155 1.00 2.41 H new ATOM 0 HB3 ASP A 602 10.605 -8.622 -1.212 1.00 2.41 H new ATOM 633 N VAL A 603 9.162 -5.684 0.493 1.00 53.51 N ATOM 634 CA VAL A 603 8.209 -4.655 0.091 1.00 21.23 C ATOM 635 C VAL A 603 8.890 -3.298 -0.044 1.00 3.12 C ATOM 636 O VAL A 603 8.520 -2.487 -0.894 1.00 4.23 O ATOM 637 CB VAL A 603 7.051 -4.539 1.100 1.00 13.30 C ATOM 638 CG1 VAL A 603 6.223 -3.294 0.820 1.00 74.13 C ATOM 639 CG2 VAL A 603 6.183 -5.787 1.059 1.00 44.12 C ATOM 0 H VAL A 603 8.978 -6.095 1.408 1.00 53.51 H new ATOM 0 HA VAL A 603 7.809 -4.954 -0.878 1.00 21.23 H new ATOM 0 HB VAL A 603 7.471 -4.449 2.102 1.00 13.30 H new ATOM 0 HG11 VAL A 603 5.409 -3.228 1.542 1.00 74.13 H new ATOM 0 HG12 VAL A 603 6.855 -2.410 0.904 1.00 74.13 H new ATOM 0 HG13 VAL A 603 5.810 -3.350 -0.187 1.00 74.13 H new ATOM 0 HG21 VAL A 603 5.370 -5.688 1.778 1.00 44.12 H new ATOM 0 HG22 VAL A 603 5.770 -5.910 0.058 1.00 44.12 H new ATOM 0 HG23 VAL A 603 6.787 -6.659 1.312 1.00 44.12 H new ATOM 649 N LYS A 604 9.887 -3.056 0.799 1.00 50.10 N ATOM 650 CA LYS A 604 10.623 -1.797 0.774 1.00 62.14 C ATOM 651 C LYS A 604 11.476 -1.690 -0.485 1.00 0.11 C ATOM 652 O LYS A 604 11.440 -0.679 -1.186 1.00 72.13 O ATOM 653 CB LYS A 604 11.509 -1.676 2.016 1.00 42.12 C ATOM 654 CG LYS A 604 12.448 -0.482 1.979 1.00 4.15 C ATOM 655 CD LYS A 604 12.308 0.376 3.224 1.00 44.35 C ATOM 656 CE LYS A 604 11.375 1.554 2.986 1.00 42.41 C ATOM 657 NZ LYS A 604 11.841 2.782 3.688 1.00 1.00 N ATOM 0 H LYS A 604 10.205 -3.716 1.509 1.00 50.10 H new ATOM 0 HA LYS A 604 9.899 -0.982 0.771 1.00 62.14 H new ATOM 0 HB2 LYS A 604 10.874 -1.601 2.899 1.00 42.12 H new ATOM 0 HB3 LYS A 604 12.097 -2.587 2.123 1.00 42.12 H new ATOM 0 HG2 LYS A 604 13.477 -0.830 1.890 1.00 4.15 H new ATOM 0 HG3 LYS A 604 12.237 0.120 1.095 1.00 4.15 H new ATOM 0 HD2 LYS A 604 11.927 -0.231 4.045 1.00 44.35 H new ATOM 0 HD3 LYS A 604 13.289 0.742 3.527 1.00 44.35 H new ATOM 0 HE2 LYS A 604 11.305 1.752 1.916 1.00 42.41 H new ATOM 0 HE3 LYS A 604 10.372 1.298 3.329 1.00 42.41 H new ATOM 0 HZ1 LYS A 604 11.178 3.561 3.501 1.00 1.00 H new ATOM 0 HZ2 LYS A 604 11.883 2.602 4.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 604 12.787 3.041 3.343 1.00 1.00 H new ATOM 667 N MET A 605 12.240 -2.740 -0.767 1.00 54.11 N ATOM 668 CA MET A 605 13.101 -2.764 -1.945 1.00 64.24 C ATOM 669 C MET A 605 12.272 -2.880 -3.220 1.00 55.43 C ATOM 670 O MET A 605 12.659 -2.367 -4.271 1.00 33.32 O ATOM 671 CB MET A 605 14.089 -3.928 -1.857 1.00 72.10 C ATOM 672 CG MET A 605 13.442 -5.290 -2.050 1.00 31.41 C ATOM 673 SD MET A 605 14.637 -6.640 -1.995 1.00 73.51 S ATOM 674 CE MET A 605 14.465 -7.311 -3.646 1.00 12.33 C ATOM 0 H MET A 605 12.281 -3.585 -0.197 1.00 54.11 H new ATOM 0 HA MET A 605 13.657 -1.827 -1.978 1.00 64.24 H new ATOM 0 HB2 MET A 605 14.865 -3.793 -2.611 1.00 72.10 H new ATOM 0 HB3 MET A 605 14.581 -3.903 -0.885 1.00 72.10 H new ATOM 0 HG2 MET A 605 12.690 -5.444 -1.276 1.00 31.41 H new ATOM 0 HG3 MET A 605 12.922 -5.309 -3.008 1.00 31.41 H new ATOM 0 HE1 MET A 605 15.142 -8.156 -3.768 1.00 12.33 H new ATOM 0 HE2 MET A 605 13.438 -7.644 -3.798 1.00 12.33 H new ATOM 0 HE3 MET A 605 14.710 -6.542 -4.379 1.00 12.33 H new ATOM 682 N ARG A 606 11.132 -3.556 -3.121 1.00 11.24 N ATOM 683 CA ARG A 606 10.251 -3.740 -4.269 1.00 71.14 C ATOM 684 C ARG A 606 9.467 -2.465 -4.561 1.00 54.41 C ATOM 685 O ARG A 606 9.283 -2.089 -5.719 1.00 5.04 O ATOM 686 CB ARG A 606 9.285 -4.899 -4.015 1.00 12.31 C ATOM 687 CG ARG A 606 8.310 -5.139 -5.156 1.00 10.14 C ATOM 688 CD ARG A 606 7.804 -6.573 -5.163 1.00 4.45 C ATOM 689 NE ARG A 606 7.591 -7.072 -6.519 1.00 0.53 N ATOM 690 CZ ARG A 606 6.629 -6.631 -7.322 1.00 13.33 C ATOM 691 NH1 ARG A 606 5.796 -5.687 -6.908 1.00 72.34 N ATOM 692 NH2 ARG A 606 6.499 -7.133 -8.543 1.00 33.23 N ATOM 0 H ARG A 606 10.797 -3.985 -2.259 1.00 11.24 H new ATOM 0 HA ARG A 606 10.868 -3.973 -5.137 1.00 71.14 H new ATOM 0 HB2 ARG A 606 9.860 -5.809 -3.842 1.00 12.31 H new ATOM 0 HB3 ARG A 606 8.722 -4.699 -3.103 1.00 12.31 H new ATOM 0 HG2 ARG A 606 7.466 -4.455 -5.065 1.00 10.14 H new ATOM 0 HG3 ARG A 606 8.798 -4.919 -6.106 1.00 10.14 H new ATOM 0 HD2 ARG A 606 8.522 -7.213 -4.650 1.00 4.45 H new ATOM 0 HD3 ARG A 606 6.870 -6.630 -4.605 1.00 4.45 H new ATOM 0 HE ARG A 606 8.215 -7.799 -6.869 1.00 0.53 H new ATOM 0 HH11 ARG A 606 5.893 -5.297 -5.970 1.00 72.34 H new ATOM 0 HH12 ARG A 606 5.058 -5.350 -7.527 1.00 72.34 H new ATOM 0 HH21 ARG A 606 7.138 -7.859 -8.867 1.00 33.23 H new ATOM 0 HH22 ARG A 606 5.760 -6.793 -9.158 1.00 33.23 H new ATOM 703 N ALA A 607 9.006 -1.803 -3.505 1.00 12.31 N ATOM 704 CA ALA A 607 8.244 -0.570 -3.648 1.00 52.32 C ATOM 705 C ALA A 607 9.168 0.628 -3.835 1.00 54.53 C ATOM 706 O ALA A 607 9.192 1.247 -4.900 1.00 71.34 O ATOM 707 CB ALA A 607 7.344 -0.361 -2.439 1.00 22.20 C ATOM 0 H ALA A 607 9.148 -2.101 -2.540 1.00 12.31 H new ATOM 0 HA ALA A 607 7.622 -0.659 -4.539 1.00 52.32 H new ATOM 0 HB1 ALA A 607 6.781 0.564 -2.560 1.00 22.20 H new ATOM 0 HB2 ALA A 607 6.652 -1.198 -2.352 1.00 22.20 H new ATOM 0 HB3 ALA A 607 7.954 -0.299 -1.538 1.00 22.20 H new ATOM 713 N PHE A 608 9.927 0.953 -2.794 1.00 70.12 N ATOM 714 CA PHE A 608 10.851 2.080 -2.843 1.00 20.44 C ATOM 715 C PHE A 608 12.037 1.770 -3.753 1.00 74.42 C ATOM 716 O PHE A 608 12.731 0.771 -3.568 1.00 24.31 O ATOM 717 CB PHE A 608 11.349 2.420 -1.436 1.00 10.12 C ATOM 718 CG PHE A 608 10.250 2.813 -0.492 1.00 74.22 C ATOM 719 CD1 PHE A 608 9.467 1.849 0.122 1.00 41.44 C ATOM 720 CD2 PHE A 608 10.000 4.149 -0.217 1.00 64.32 C ATOM 721 CE1 PHE A 608 8.455 2.208 0.993 1.00 11.12 C ATOM 722 CE2 PHE A 608 8.990 4.514 0.654 1.00 2.31 C ATOM 723 CZ PHE A 608 8.216 3.543 1.258 1.00 4.54 C ATOM 0 H PHE A 608 9.920 0.452 -1.906 1.00 70.12 H new ATOM 0 HA PHE A 608 10.317 2.939 -3.249 1.00 20.44 H new ATOM 0 HB2 PHE A 608 11.877 1.558 -1.028 1.00 10.12 H new ATOM 0 HB3 PHE A 608 12.070 3.235 -1.501 1.00 10.12 H new ATOM 0 HD1 PHE A 608 9.649 0.804 -0.082 1.00 41.44 H new ATOM 0 HD2 PHE A 608 10.601 4.913 -0.688 1.00 64.32 H new ATOM 0 HE1 PHE A 608 7.852 1.446 1.465 1.00 11.12 H new ATOM 0 HE2 PHE A 608 8.807 5.558 0.862 1.00 2.31 H new ATOM 0 HZ PHE A 608 7.425 3.826 1.937 1.00 4.54 H new ATOM 828 N TYR A 616 10.753 -1.366 8.080 1.00 34.14 N ATOM 829 CA TYR A 616 9.726 -2.399 8.102 1.00 25.25 C ATOM 830 C TYR A 616 8.423 -1.859 8.684 1.00 25.21 C ATOM 831 O TYR A 616 7.337 -2.148 8.180 1.00 74.24 O ATOM 832 CB TYR A 616 10.202 -3.604 8.917 1.00 2.31 C ATOM 833 CG TYR A 616 10.761 -3.234 10.272 1.00 22.33 C ATOM 834 CD1 TYR A 616 12.099 -2.890 10.422 1.00 62.14 C ATOM 835 CD2 TYR A 616 9.953 -3.232 11.402 1.00 75.21 C ATOM 836 CE1 TYR A 616 12.615 -2.553 11.659 1.00 43.02 C ATOM 837 CE2 TYR A 616 10.460 -2.894 12.642 1.00 23.20 C ATOM 838 CZ TYR A 616 11.792 -2.556 12.765 1.00 63.22 C ATOM 839 OH TYR A 616 12.301 -2.221 13.999 1.00 31.15 O ATOM 0 HA TYR A 616 9.541 -2.714 7.075 1.00 25.25 H new ATOM 0 HB2 TYR A 616 9.368 -4.293 9.053 1.00 2.31 H new ATOM 0 HB3 TYR A 616 10.966 -4.136 8.351 1.00 2.31 H new ATOM 0 HD1 TYR A 616 12.746 -2.886 9.558 1.00 62.14 H new ATOM 0 HD2 TYR A 616 8.911 -3.499 11.310 1.00 75.21 H new ATOM 0 HE1 TYR A 616 13.657 -2.289 11.759 1.00 43.02 H new ATOM 0 HE2 TYR A 616 9.817 -2.894 13.510 1.00 23.20 H new ATOM 0 HH TYR A 616 11.590 -2.272 14.671 1.00 31.15 H new ATOM 848 N VAL A 617 8.540 -1.074 9.750 1.00 63.32 N ATOM 849 CA VAL A 617 7.373 -0.491 10.402 1.00 30.20 C ATOM 850 C VAL A 617 6.762 0.614 9.548 1.00 72.42 C ATOM 851 O VAL A 617 5.547 0.813 9.548 1.00 24.21 O ATOM 852 CB VAL A 617 7.731 0.082 11.786 1.00 3.40 C ATOM 853 CG1 VAL A 617 8.789 1.167 11.657 1.00 63.13 C ATOM 854 CG2 VAL A 617 6.487 0.617 12.479 1.00 41.30 C ATOM 0 H VAL A 617 9.431 -0.827 10.181 1.00 63.32 H new ATOM 0 HA VAL A 617 6.646 -1.293 10.527 1.00 30.20 H new ATOM 0 HB VAL A 617 8.142 -0.721 12.398 1.00 3.40 H new ATOM 0 HG11 VAL A 617 9.029 1.560 12.645 1.00 63.13 H new ATOM 0 HG12 VAL A 617 9.688 0.747 11.205 1.00 63.13 H new ATOM 0 HG13 VAL A 617 8.409 1.973 11.028 1.00 63.13 H new ATOM 0 HG21 VAL A 617 6.759 1.018 13.456 1.00 41.30 H new ATOM 0 HG22 VAL A 617 6.044 1.407 11.873 1.00 41.30 H new ATOM 0 HG23 VAL A 617 5.766 -0.190 12.606 1.00 41.30 H new ATOM 864 N ASP A 618 7.612 1.332 8.822 1.00 71.10 N ATOM 865 CA ASP A 618 7.156 2.418 7.962 1.00 73.10 C ATOM 866 C ASP A 618 6.270 1.887 6.841 1.00 11.52 C ATOM 867 O ASP A 618 5.163 2.379 6.624 1.00 50.42 O ATOM 868 CB ASP A 618 8.353 3.167 7.373 1.00 51.23 C ATOM 869 CG ASP A 618 8.499 4.564 7.942 1.00 41.34 C ATOM 870 OD1 ASP A 618 8.110 4.772 9.110 1.00 40.04 O ATOM 871 OD2 ASP A 618 9.001 5.451 7.219 1.00 61.11 O ATOM 0 H ASP A 618 8.621 1.182 8.812 1.00 71.10 H new ATOM 0 HA ASP A 618 6.569 3.108 8.568 1.00 73.10 H new ATOM 0 HB2 ASP A 618 9.264 2.601 7.569 1.00 51.23 H new ATOM 0 HB3 ASP A 618 8.242 3.229 6.290 1.00 51.23 H new ATOM 875 N LEU A 619 6.765 0.880 6.129 1.00 51.10 N ATOM 876 CA LEU A 619 6.019 0.282 5.027 1.00 0.25 C ATOM 877 C LEU A 619 4.833 -0.523 5.547 1.00 5.20 C ATOM 878 O LEU A 619 3.742 -0.480 4.978 1.00 24.42 O ATOM 879 CB LEU A 619 6.934 -0.616 4.194 1.00 12.24 C ATOM 880 CG LEU A 619 7.462 -1.870 4.892 1.00 72.32 C ATOM 881 CD1 LEU A 619 6.527 -3.046 4.657 1.00 32.05 C ATOM 882 CD2 LEU A 619 8.868 -2.198 4.410 1.00 3.50 C ATOM 0 H LEU A 619 7.680 0.461 6.295 1.00 51.10 H new ATOM 0 HA LEU A 619 5.640 1.087 4.397 1.00 0.25 H new ATOM 0 HB2 LEU A 619 6.392 -0.924 3.300 1.00 12.24 H new ATOM 0 HB3 LEU A 619 7.786 -0.024 3.862 1.00 12.24 H new ATOM 0 HG LEU A 619 7.504 -1.675 5.964 1.00 72.32 H new ATOM 0 HD11 LEU A 619 6.919 -3.929 5.161 1.00 32.05 H new ATOM 0 HD12 LEU A 619 5.539 -2.810 5.053 1.00 32.05 H new ATOM 0 HD13 LEU A 619 6.451 -3.243 3.588 1.00 32.05 H new ATOM 0 HD21 LEU A 619 9.227 -3.093 4.918 1.00 3.50 H new ATOM 0 HD22 LEU A 619 8.852 -2.373 3.334 1.00 3.50 H new ATOM 0 HD23 LEU A 619 9.533 -1.363 4.632 1.00 3.50 H new ATOM 893 N LYS A 620 5.053 -1.257 6.633 1.00 64.15 N ATOM 894 CA LYS A 620 4.002 -2.070 7.234 1.00 0.42 C ATOM 895 C LYS A 620 2.823 -1.204 7.663 1.00 44.31 C ATOM 896 O LYS A 620 1.681 -1.455 7.275 1.00 72.24 O ATOM 897 CB LYS A 620 4.549 -2.840 8.437 1.00 62.05 C ATOM 898 CG LYS A 620 3.482 -3.594 9.213 1.00 34.32 C ATOM 899 CD LYS A 620 4.050 -4.218 10.477 1.00 61.24 C ATOM 900 CE LYS A 620 4.585 -5.617 10.217 1.00 60.30 C ATOM 901 NZ LYS A 620 3.487 -6.599 10.000 1.00 32.42 N ATOM 0 H LYS A 620 5.951 -1.305 7.115 1.00 64.15 H new ATOM 0 HA LYS A 620 3.654 -2.781 6.485 1.00 0.42 H new ATOM 0 HB2 LYS A 620 5.304 -3.547 8.093 1.00 62.05 H new ATOM 0 HB3 LYS A 620 5.049 -2.142 9.108 1.00 62.05 H new ATOM 0 HG2 LYS A 620 2.671 -2.914 9.474 1.00 34.32 H new ATOM 0 HG3 LYS A 620 3.054 -4.373 8.582 1.00 34.32 H new ATOM 0 HD2 LYS A 620 4.850 -3.588 10.867 1.00 61.24 H new ATOM 0 HD3 LYS A 620 3.275 -4.260 11.243 1.00 61.24 H new ATOM 0 HE2 LYS A 620 5.235 -5.600 9.343 1.00 60.30 H new ATOM 0 HE3 LYS A 620 5.195 -5.935 11.062 1.00 60.30 H new ATOM 0 HZ1 LYS A 620 3.881 -7.561 9.978 1.00 32.42 H new ATOM 0 HZ2 LYS A 620 2.797 -6.525 10.775 1.00 32.42 H new ATOM 0 HZ3 LYS A 620 3.015 -6.398 9.095 1.00 32.42 H new ATOM 911 N ASP A 621 3.105 -0.184 8.466 1.00 53.43 N ATOM 912 CA ASP A 621 2.068 0.722 8.946 1.00 43.42 C ATOM 913 C ASP A 621 1.283 1.317 7.781 1.00 13.21 C ATOM 914 O ASP A 621 0.058 1.431 7.837 1.00 12.21 O ATOM 915 CB ASP A 621 2.686 1.841 9.785 1.00 13.20 C ATOM 916 CG ASP A 621 1.651 2.597 10.595 1.00 2.12 C ATOM 917 OD1 ASP A 621 0.558 2.039 10.829 1.00 31.14 O ATOM 918 OD2 ASP A 621 1.933 3.746 10.994 1.00 53.45 O ATOM 0 H ASP A 621 4.044 0.036 8.798 1.00 53.43 H new ATOM 0 HA ASP A 621 1.381 0.149 9.569 1.00 43.42 H new ATOM 0 HB2 ASP A 621 3.431 1.417 10.458 1.00 13.20 H new ATOM 0 HB3 ASP A 621 3.209 2.537 9.129 1.00 13.20 H new ATOM 922 N LYS A 622 1.996 1.695 6.725 1.00 72.41 N ATOM 923 CA LYS A 622 1.369 2.278 5.546 1.00 43.54 C ATOM 924 C LYS A 622 0.281 1.360 4.998 1.00 13.12 C ATOM 925 O LYS A 622 -0.785 1.820 4.590 1.00 40.11 O ATOM 926 CB LYS A 622 2.418 2.546 4.465 1.00 42.20 C ATOM 927 CG LYS A 622 1.900 3.384 3.309 1.00 42.41 C ATOM 928 CD LYS A 622 2.014 4.870 3.600 1.00 71.42 C ATOM 929 CE LYS A 622 3.416 5.388 3.315 1.00 43.30 C ATOM 930 NZ LYS A 622 4.262 5.404 4.540 1.00 11.51 N ATOM 0 H LYS A 622 3.010 1.607 6.662 1.00 72.41 H new ATOM 0 HA LYS A 622 0.909 3.222 5.839 1.00 43.54 H new ATOM 0 HB2 LYS A 622 3.271 3.053 4.916 1.00 42.20 H new ATOM 0 HB3 LYS A 622 2.781 1.594 4.078 1.00 42.20 H new ATOM 0 HG2 LYS A 622 2.462 3.146 2.406 1.00 42.41 H new ATOM 0 HG3 LYS A 622 0.858 3.130 3.113 1.00 42.41 H new ATOM 0 HD2 LYS A 622 1.293 5.417 2.993 1.00 71.42 H new ATOM 0 HD3 LYS A 622 1.761 5.058 4.643 1.00 71.42 H new ATOM 0 HE2 LYS A 622 3.887 4.762 2.557 1.00 43.30 H new ATOM 0 HE3 LYS A 622 3.354 6.395 2.903 1.00 43.30 H new ATOM 0 HZ1 LYS A 622 4.699 6.341 4.648 1.00 11.51 H new ATOM 0 HZ2 LYS A 622 3.672 5.199 5.372 1.00 11.51 H new ATOM 0 HZ3 LYS A 622 5.006 4.682 4.457 1.00 11.51 H new ATOM 940 N TRP A 623 0.558 0.061 4.994 1.00 64.22 N ATOM 941 CA TRP A 623 -0.399 -0.921 4.497 1.00 23.24 C ATOM 942 C TRP A 623 -1.619 -1.003 5.409 1.00 3.35 C ATOM 943 O TRP A 623 -2.757 -1.000 4.941 1.00 23.13 O ATOM 944 CB TRP A 623 0.263 -2.297 4.386 1.00 40.42 C ATOM 945 CG TRP A 623 -0.718 -3.414 4.193 1.00 41.51 C ATOM 946 CD1 TRP A 623 -1.389 -4.093 5.169 1.00 70.22 C ATOM 947 CD2 TRP A 623 -1.135 -3.981 2.946 1.00 25.14 C ATOM 948 NE1 TRP A 623 -2.199 -5.050 4.604 1.00 74.11 N ATOM 949 CE2 TRP A 623 -2.062 -5.000 3.242 1.00 31.23 C ATOM 950 CE3 TRP A 623 -0.818 -3.727 1.609 1.00 53.13 C ATOM 951 CZ2 TRP A 623 -2.670 -5.764 2.250 1.00 61.05 C ATOM 952 CZ3 TRP A 623 -1.424 -4.485 0.625 1.00 31.22 C ATOM 953 CH2 TRP A 623 -2.342 -5.493 0.950 1.00 12.43 C ATOM 0 H TRP A 623 1.436 -0.336 5.329 1.00 64.22 H new ATOM 0 HA TRP A 623 -0.729 -0.602 3.508 1.00 23.24 H new ATOM 0 HB2 TRP A 623 0.963 -2.289 3.550 1.00 40.42 H new ATOM 0 HB3 TRP A 623 0.845 -2.486 5.288 1.00 40.42 H new ATOM 0 HD1 TRP A 623 -1.297 -3.906 6.229 1.00 70.22 H new ATOM 0 HE1 TRP A 623 -2.804 -5.693 5.116 1.00 74.11 H new ATOM 0 HE3 TRP A 623 -0.112 -2.952 1.349 1.00 53.13 H new ATOM 0 HZ2 TRP A 623 -3.376 -6.543 2.498 1.00 61.05 H new ATOM 0 HZ3 TRP A 623 -1.186 -4.297 -0.412 1.00 31.22 H new ATOM 0 HH2 TRP A 623 -2.800 -6.067 0.158 1.00 12.43 H new ATOM 963 N LYS A 624 -1.374 -1.075 6.713 1.00 34.20 N ATOM 964 CA LYS A 624 -2.452 -1.156 7.691 1.00 52.41 C ATOM 965 C LYS A 624 -3.470 -0.041 7.472 1.00 21.03 C ATOM 966 O LYS A 624 -4.664 -0.298 7.312 1.00 10.05 O ATOM 967 CB LYS A 624 -1.887 -1.074 9.111 1.00 52.42 C ATOM 968 CG LYS A 624 -1.568 -2.429 9.718 1.00 70.22 C ATOM 969 CD LYS A 624 -0.639 -3.235 8.826 1.00 44.51 C ATOM 970 CE LYS A 624 0.349 -4.052 9.642 1.00 23.43 C ATOM 971 NZ LYS A 624 -0.335 -5.084 10.471 1.00 12.30 N ATOM 0 H LYS A 624 -0.437 -1.079 7.117 1.00 34.20 H new ATOM 0 HA LYS A 624 -2.955 -2.114 7.562 1.00 52.41 H new ATOM 0 HB2 LYS A 624 -0.981 -0.469 9.098 1.00 52.42 H new ATOM 0 HB3 LYS A 624 -2.605 -0.559 9.749 1.00 52.42 H new ATOM 0 HG2 LYS A 624 -1.106 -2.291 10.696 1.00 70.22 H new ATOM 0 HG3 LYS A 624 -2.493 -2.984 9.878 1.00 70.22 H new ATOM 0 HD2 LYS A 624 -1.227 -3.900 8.193 1.00 44.51 H new ATOM 0 HD3 LYS A 624 -0.096 -2.562 8.163 1.00 44.51 H new ATOM 0 HE2 LYS A 624 1.060 -4.537 8.973 1.00 23.43 H new ATOM 0 HE3 LYS A 624 0.922 -3.388 10.289 1.00 23.43 H new ATOM 0 HZ1 LYS A 624 0.376 -5.664 10.960 1.00 12.30 H new ATOM 0 HZ2 LYS A 624 -0.944 -4.617 11.173 1.00 12.30 H new ATOM 0 HZ3 LYS A 624 -0.916 -5.692 9.859 1.00 12.30 H new ATOM 981 N THR A 625 -2.991 1.198 7.465 1.00 53.20 N ATOM 982 CA THR A 625 -3.859 2.352 7.264 1.00 35.41 C ATOM 983 C THR A 625 -4.525 2.308 5.894 1.00 22.33 C ATOM 984 O THR A 625 -5.629 2.823 5.712 1.00 65.30 O ATOM 985 CB THR A 625 -3.078 3.673 7.400 1.00 72.43 C ATOM 986 OG1 THR A 625 -3.975 4.785 7.297 1.00 61.30 O ATOM 987 CG2 THR A 625 -2.005 3.780 6.328 1.00 21.14 C ATOM 0 H THR A 625 -2.006 1.429 7.596 1.00 53.20 H new ATOM 0 HA THR A 625 -4.625 2.309 8.038 1.00 35.41 H new ATOM 0 HB THR A 625 -2.595 3.685 8.377 1.00 72.43 H new ATOM 0 HG1 THR A 625 -3.471 5.621 7.386 1.00 61.30 H new ATOM 0 HG21 THR A 625 -1.467 4.721 6.444 1.00 21.14 H new ATOM 0 HG22 THR A 625 -1.307 2.948 6.427 1.00 21.14 H new ATOM 0 HG23 THR A 625 -2.470 3.748 5.343 1.00 21.14 H new ATOM 995 N LEU A 626 -3.849 1.690 4.933 1.00 10.13 N ATOM 996 CA LEU A 626 -4.376 1.578 3.577 1.00 64.20 C ATOM 997 C LEU A 626 -5.642 0.725 3.554 1.00 33.52 C ATOM 998 O LEU A 626 -6.675 1.142 3.030 1.00 13.22 O ATOM 999 CB LEU A 626 -3.324 0.972 2.648 1.00 13.52 C ATOM 1000 CG LEU A 626 -3.029 1.755 1.366 1.00 64.00 C ATOM 1001 CD1 LEU A 626 -1.778 1.219 0.688 1.00 63.51 C ATOM 1002 CD2 LEU A 626 -4.220 1.693 0.420 1.00 14.24 C ATOM 0 H LEU A 626 -2.935 1.258 5.067 1.00 10.13 H new ATOM 0 HA LEU A 626 -4.627 2.579 3.227 1.00 64.20 H new ATOM 0 HB2 LEU A 626 -2.394 0.864 3.206 1.00 13.52 H new ATOM 0 HB3 LEU A 626 -3.648 -0.031 2.371 1.00 13.52 H new ATOM 0 HG LEU A 626 -2.853 2.798 1.631 1.00 64.00 H new ATOM 0 HD11 LEU A 626 -1.585 1.788 -0.221 1.00 63.51 H new ATOM 0 HD12 LEU A 626 -0.928 1.315 1.364 1.00 63.51 H new ATOM 0 HD13 LEU A 626 -1.923 0.169 0.435 1.00 63.51 H new ATOM 0 HD21 LEU A 626 -3.994 2.255 -0.487 1.00 14.24 H new ATOM 0 HD22 LEU A 626 -4.426 0.654 0.162 1.00 14.24 H new ATOM 0 HD23 LEU A 626 -5.094 2.126 0.907 1.00 14.24 H new ATOM 1013 N VAL A 627 -5.554 -0.470 4.128 1.00 22.15 N ATOM 1014 CA VAL A 627 -6.692 -1.381 4.177 1.00 33.01 C ATOM 1015 C VAL A 627 -7.863 -0.757 4.928 1.00 32.11 C ATOM 1016 O VAL A 627 -8.977 -0.679 4.409 1.00 1.24 O ATOM 1017 CB VAL A 627 -6.316 -2.714 4.850 1.00 0.33 C ATOM 1018 CG1 VAL A 627 -7.533 -3.620 4.957 1.00 21.44 C ATOM 1019 CG2 VAL A 627 -5.195 -3.400 4.084 1.00 4.34 C ATOM 0 H VAL A 627 -4.706 -0.831 4.566 1.00 22.15 H new ATOM 0 HA VAL A 627 -6.987 -1.575 3.146 1.00 33.01 H new ATOM 0 HB VAL A 627 -5.960 -2.504 5.859 1.00 0.33 H new ATOM 0 HG11 VAL A 627 -7.248 -4.557 5.435 1.00 21.44 H new ATOM 0 HG12 VAL A 627 -8.302 -3.128 5.553 1.00 21.44 H new ATOM 0 HG13 VAL A 627 -7.923 -3.825 3.960 1.00 21.44 H new ATOM 0 HG21 VAL A 627 -4.942 -4.340 4.574 1.00 4.34 H new ATOM 0 HG22 VAL A 627 -5.521 -3.599 3.063 1.00 4.34 H new ATOM 0 HG23 VAL A 627 -4.318 -2.753 4.066 1.00 4.34 H new ATOM 1029 N HIS A 628 -7.603 -0.313 6.154 1.00 32.02 N ATOM 1030 CA HIS A 628 -8.635 0.306 6.977 1.00 5.42 C ATOM 1031 C HIS A 628 -9.313 1.451 6.230 1.00 75.24 C ATOM 1032 O HIS A 628 -10.476 1.768 6.480 1.00 51.22 O ATOM 1033 CB HIS A 628 -8.035 0.819 8.286 1.00 53.32 C ATOM 1034 CG HIS A 628 -7.688 -0.269 9.254 1.00 63.21 C ATOM 1035 ND1 HIS A 628 -6.675 -1.178 9.034 1.00 3.11 N ATOM 1036 CD2 HIS A 628 -8.227 -0.591 10.454 1.00 51.43 C ATOM 1037 CE1 HIS A 628 -6.607 -2.013 10.056 1.00 11.11 C ATOM 1038 NE2 HIS A 628 -7.537 -1.678 10.931 1.00 74.34 N ATOM 0 H HIS A 628 -6.687 -0.371 6.599 1.00 32.02 H new ATOM 0 HA HIS A 628 -9.386 -0.451 7.203 1.00 5.42 H new ATOM 0 HB2 HIS A 628 -7.137 1.395 8.063 1.00 53.32 H new ATOM 0 HB3 HIS A 628 -8.743 1.501 8.757 1.00 53.32 H new ATOM 0 HD1 HIS A 628 -6.072 -1.202 8.211 1.00 3.11 H new ATOM 0 HD2 HIS A 628 -9.047 -0.087 10.944 1.00 51.43 H new ATOM 0 HE1 HIS A 628 -5.909 -2.831 10.158 1.00 11.11 H new ATOM 1045 N THR A 629 -8.577 2.069 5.311 1.00 33.21 N ATOM 1046 CA THR A 629 -9.104 3.180 4.530 1.00 42.21 C ATOM 1047 C THR A 629 -10.055 2.686 3.445 1.00 42.03 C ATOM 1048 O THR A 629 -10.998 3.383 3.070 1.00 24.42 O ATOM 1049 CB THR A 629 -7.972 3.992 3.873 1.00 53.43 C ATOM 1050 OG1 THR A 629 -7.330 4.818 4.850 1.00 25.42 O ATOM 1051 CG2 THR A 629 -8.513 4.860 2.746 1.00 11.32 C ATOM 0 H THR A 629 -7.613 1.818 5.090 1.00 33.21 H new ATOM 0 HA THR A 629 -9.648 3.823 5.222 1.00 42.21 H new ATOM 0 HB THR A 629 -7.247 3.292 3.457 1.00 53.43 H new ATOM 0 HG1 THR A 629 -6.633 4.303 5.307 1.00 25.42 H new ATOM 0 HG21 THR A 629 -7.696 5.424 2.297 1.00 11.32 H new ATOM 0 HG22 THR A 629 -8.976 4.227 1.989 1.00 11.32 H new ATOM 0 HG23 THR A 629 -9.256 5.552 3.144 1.00 11.32 H new ATOM 1059 N ALA A 630 -9.802 1.481 2.947 1.00 1.30 N ATOM 1060 CA ALA A 630 -10.638 0.894 1.907 1.00 10.05 C ATOM 1061 C ALA A 630 -12.106 0.893 2.318 1.00 33.12 C ATOM 1062 O ALA A 630 -12.974 1.315 1.554 1.00 63.01 O ATOM 1063 CB ALA A 630 -10.174 -0.522 1.594 1.00 51.13 C ATOM 0 H ALA A 630 -9.025 0.892 3.247 1.00 1.30 H new ATOM 0 HA ALA A 630 -10.540 1.504 1.009 1.00 10.05 H new ATOM 0 HB1 ALA A 630 -10.807 -0.949 0.816 1.00 51.13 H new ATOM 0 HB2 ALA A 630 -9.140 -0.498 1.249 1.00 51.13 H new ATOM 0 HB3 ALA A 630 -10.242 -1.134 2.493 1.00 51.13 H new ATOM 1069 N SER A 631 -12.377 0.417 3.529 1.00 22.14 N ATOM 1070 CA SER A 631 -13.741 0.358 4.040 1.00 2.15 C ATOM 1071 C SER A 631 -13.811 -0.492 5.305 1.00 34.44 C ATOM 1072 O SER A 631 -14.390 -1.578 5.305 1.00 24.00 O ATOM 1073 CB SER A 631 -14.681 -0.213 2.977 1.00 51.35 C ATOM 1074 OG SER A 631 -15.421 0.818 2.344 1.00 22.21 O ATOM 0 H SER A 631 -11.669 0.066 4.175 1.00 22.14 H new ATOM 0 HA SER A 631 -14.055 1.372 4.287 1.00 2.15 H new ATOM 0 HB2 SER A 631 -14.103 -0.760 2.232 1.00 51.35 H new ATOM 0 HB3 SER A 631 -15.365 -0.926 3.437 1.00 51.35 H new ATOM 0 HG SER A 631 -14.816 1.375 1.810 1.00 22.21 H new ATOM 1079 N ILE A 632 -13.216 0.011 6.382 1.00 74.02 N ATOM 1080 CA ILE A 632 -13.212 -0.700 7.655 1.00 15.25 C ATOM 1081 C ILE A 632 -13.918 0.108 8.737 1.00 62.21 C ATOM 1082 O ILE A 632 -15.038 -0.213 9.133 1.00 72.12 O ATOM 1083 CB ILE A 632 -11.777 -1.015 8.117 1.00 72.53 C ATOM 1084 CG1 ILE A 632 -11.221 -2.217 7.350 1.00 40.15 C ATOM 1085 CG2 ILE A 632 -11.750 -1.277 9.616 1.00 11.25 C ATOM 1086 CD1 ILE A 632 -11.063 -1.965 5.867 1.00 20.53 C ATOM 0 H ILE A 632 -12.731 0.908 6.398 1.00 74.02 H new ATOM 0 HA ILE A 632 -13.748 -1.636 7.497 1.00 15.25 H new ATOM 0 HB ILE A 632 -11.146 -0.152 7.906 1.00 72.53 H new ATOM 0 HG12 ILE A 632 -10.253 -2.489 7.770 1.00 40.15 H new ATOM 0 HG13 ILE A 632 -11.883 -3.070 7.497 1.00 40.15 H new ATOM 0 HG21 ILE A 632 -10.729 -1.498 9.928 1.00 11.25 H new ATOM 0 HG22 ILE A 632 -12.109 -0.395 10.146 1.00 11.25 H new ATOM 0 HG23 ILE A 632 -12.393 -2.126 9.849 1.00 11.25 H new ATOM 0 HD11 ILE A 632 -10.665 -2.859 5.387 1.00 20.53 H new ATOM 0 HD12 ILE A 632 -12.033 -1.722 5.434 1.00 20.53 H new ATOM 0 HD13 ILE A 632 -10.377 -1.132 5.710 1.00 20.53 H new ATOM 1097 N ALA A 633 -13.255 1.157 9.212 1.00 45.13 N ATOM 1098 CA ALA A 633 -13.821 2.013 10.248 1.00 42.41 C ATOM 1099 C ALA A 633 -14.320 3.329 9.660 1.00 41.15 C ATOM 1100 O ALA A 633 -13.865 3.780 8.608 1.00 34.41 O ATOM 1101 CB ALA A 633 -12.792 2.276 11.337 1.00 14.13 C ATOM 0 H ALA A 633 -12.326 1.435 8.896 1.00 45.13 H new ATOM 0 HA ALA A 633 -14.673 1.495 10.687 1.00 42.41 H new ATOM 0 HB1 ALA A 633 -13.229 2.916 12.103 1.00 14.13 H new ATOM 0 HB2 ALA A 633 -12.487 1.330 11.785 1.00 14.13 H new ATOM 0 HB3 ALA A 633 -11.922 2.770 10.904 1.00 14.13 H new ATOM 1210 N PRO A 641 -9.343 12.544 -1.503 1.00 70.41 N ATOM 1211 CA PRO A 641 -9.247 11.753 -2.732 1.00 31.55 C ATOM 1212 C PRO A 641 -8.357 10.525 -2.563 1.00 41.32 C ATOM 1213 O PRO A 641 -7.178 10.642 -2.229 1.00 50.21 O ATOM 1214 CB PRO A 641 -8.626 12.728 -3.735 1.00 41.41 C ATOM 1215 CG PRO A 641 -7.872 13.703 -2.898 1.00 33.44 C ATOM 1216 CD PRO A 641 -8.647 13.837 -1.618 1.00 20.51 C ATOM 0 HA PRO A 641 -10.216 11.362 -3.041 1.00 31.55 H new ATOM 0 HB2 PRO A 641 -7.966 12.212 -4.433 1.00 41.41 H new ATOM 0 HB3 PRO A 641 -9.392 13.226 -4.330 1.00 41.41 H new ATOM 0 HG2 PRO A 641 -6.859 13.350 -2.705 1.00 33.44 H new ATOM 0 HG3 PRO A 641 -7.784 14.665 -3.403 1.00 33.44 H new ATOM 0 HD2 PRO A 641 -7.990 14.016 -0.767 1.00 20.51 H new ATOM 0 HD3 PRO A 641 -9.350 14.669 -1.659 1.00 20.51 H new ATOM 1221 N VAL A 642 -8.930 9.349 -2.797 1.00 64.10 N ATOM 1222 CA VAL A 642 -8.188 8.099 -2.672 1.00 71.34 C ATOM 1223 C VAL A 642 -8.444 7.187 -3.866 1.00 33.33 C ATOM 1224 O VAL A 642 -9.560 7.088 -4.376 1.00 12.23 O ATOM 1225 CB VAL A 642 -8.563 7.351 -1.378 1.00 13.42 C ATOM 1226 CG1 VAL A 642 -8.759 8.331 -0.231 1.00 5.45 C ATOM 1227 CG2 VAL A 642 -9.814 6.512 -1.593 1.00 23.54 C ATOM 0 H VAL A 642 -9.905 9.235 -3.074 1.00 64.10 H new ATOM 0 HA VAL A 642 -7.130 8.360 -2.638 1.00 71.34 H new ATOM 0 HB VAL A 642 -7.744 6.682 -1.115 1.00 13.42 H new ATOM 0 HG11 VAL A 642 -9.023 7.784 0.674 1.00 5.45 H new ATOM 0 HG12 VAL A 642 -7.835 8.885 -0.064 1.00 5.45 H new ATOM 0 HG13 VAL A 642 -9.559 9.028 -0.480 1.00 5.45 H new ATOM 0 HG21 VAL A 642 -10.065 5.990 -0.670 1.00 23.54 H new ATOM 0 HG22 VAL A 642 -10.642 7.160 -1.880 1.00 23.54 H new ATOM 0 HG23 VAL A 642 -9.632 5.784 -2.383 1.00 23.54 H new ATOM 1237 N PRO A 643 -7.385 6.503 -4.325 1.00 10.40 N ATOM 1238 CA PRO A 643 -7.469 5.585 -5.465 1.00 35.11 C ATOM 1239 C PRO A 643 -8.264 4.326 -5.137 1.00 12.32 C ATOM 1240 O PRO A 643 -7.983 3.641 -4.154 1.00 54.35 O ATOM 1241 CB PRO A 643 -6.005 5.235 -5.747 1.00 63.01 C ATOM 1242 CG PRO A 643 -5.310 5.437 -4.445 1.00 73.12 C ATOM 1243 CD PRO A 643 -6.024 6.573 -3.766 1.00 24.14 C ATOM 0 HA PRO A 643 -7.985 6.034 -6.313 1.00 35.11 H new ATOM 0 HB2 PRO A 643 -5.904 4.207 -6.095 1.00 63.01 H new ATOM 0 HB3 PRO A 643 -5.587 5.876 -6.523 1.00 63.01 H new ATOM 0 HG2 PRO A 643 -5.349 4.533 -3.837 1.00 73.12 H new ATOM 0 HG3 PRO A 643 -4.257 5.673 -4.597 1.00 73.12 H new ATOM 0 HD2 PRO A 643 -6.028 6.455 -2.682 1.00 24.14 H new ATOM 0 HD3 PRO A 643 -5.550 7.531 -3.980 1.00 24.14 H new ATOM 1248 N GLN A 644 -9.257 4.026 -5.968 1.00 52.42 N ATOM 1249 CA GLN A 644 -10.093 2.848 -5.766 1.00 53.45 C ATOM 1250 C GLN A 644 -9.331 1.573 -6.114 1.00 54.35 C ATOM 1251 O GLN A 644 -9.666 0.489 -5.637 1.00 73.23 O ATOM 1252 CB GLN A 644 -11.362 2.945 -6.615 1.00 52.53 C ATOM 1253 CG GLN A 644 -12.392 1.875 -6.294 1.00 74.22 C ATOM 1254 CD GLN A 644 -13.321 2.278 -5.167 1.00 44.34 C ATOM 1255 OE1 GLN A 644 -14.105 3.219 -5.299 1.00 51.23 O ATOM 1256 NE2 GLN A 644 -13.241 1.567 -4.049 1.00 31.31 N ATOM 0 H GLN A 644 -9.502 4.582 -6.787 1.00 52.42 H new ATOM 0 HA GLN A 644 -10.371 2.808 -4.713 1.00 53.45 H new ATOM 0 HB2 GLN A 644 -11.813 3.927 -6.469 1.00 52.53 H new ATOM 0 HB3 GLN A 644 -11.091 2.872 -7.668 1.00 52.53 H new ATOM 0 HG2 GLN A 644 -12.981 1.663 -7.187 1.00 74.22 H new ATOM 0 HG3 GLN A 644 -11.879 0.952 -6.024 1.00 74.22 H new ATOM 0 HE21 GLN A 644 -12.577 0.795 -3.982 1.00 31.31 H new ATOM 0 HE22 GLN A 644 -13.843 1.792 -3.257 1.00 31.31 H new ATOM 1263 N ASP A 645 -8.306 1.712 -6.947 1.00 54.12 N ATOM 1264 CA ASP A 645 -7.496 0.571 -7.359 1.00 52.25 C ATOM 1265 C ASP A 645 -6.633 0.073 -6.204 1.00 64.32 C ATOM 1266 O ASP A 645 -6.399 -1.128 -6.062 1.00 4.21 O ATOM 1267 CB ASP A 645 -6.610 0.950 -8.546 1.00 2.32 C ATOM 1268 CG ASP A 645 -6.097 -0.264 -9.297 1.00 62.41 C ATOM 1269 OD1 ASP A 645 -6.931 -1.060 -9.779 1.00 32.53 O ATOM 1270 OD2 ASP A 645 -4.863 -0.418 -9.401 1.00 12.42 O ATOM 0 H ASP A 645 -8.016 2.603 -7.350 1.00 54.12 H new ATOM 0 HA ASP A 645 -8.169 -0.232 -7.659 1.00 52.25 H new ATOM 0 HB2 ASP A 645 -7.175 1.584 -9.229 1.00 2.32 H new ATOM 0 HB3 ASP A 645 -5.764 1.538 -8.191 1.00 2.32 H new ATOM 1274 N LEU A 646 -6.162 1.002 -5.380 1.00 54.25 N ATOM 1275 CA LEU A 646 -5.323 0.658 -4.237 1.00 41.20 C ATOM 1276 C LEU A 646 -6.158 0.056 -3.111 1.00 41.41 C ATOM 1277 O LEU A 646 -5.800 -0.977 -2.543 1.00 44.23 O ATOM 1278 CB LEU A 646 -4.583 1.898 -3.731 1.00 71.30 C ATOM 1279 CG LEU A 646 -3.699 2.615 -4.752 1.00 4.00 C ATOM 1280 CD1 LEU A 646 -2.757 3.585 -4.056 1.00 64.33 C ATOM 1281 CD2 LEU A 646 -2.914 1.608 -5.580 1.00 61.03 C ATOM 0 H LEU A 646 -6.347 2.000 -5.482 1.00 54.25 H new ATOM 0 HA LEU A 646 -4.595 -0.085 -4.562 1.00 41.20 H new ATOM 0 HB2 LEU A 646 -5.320 2.608 -3.356 1.00 71.30 H new ATOM 0 HB3 LEU A 646 -3.962 1.606 -2.884 1.00 71.30 H new ATOM 0 HG LEU A 646 -4.342 3.184 -5.423 1.00 4.00 H new ATOM 0 HD11 LEU A 646 -2.136 4.086 -4.799 1.00 64.33 H new ATOM 0 HD12 LEU A 646 -3.338 4.327 -3.509 1.00 64.33 H new ATOM 0 HD13 LEU A 646 -2.121 3.038 -3.360 1.00 64.33 H new ATOM 0 HD21 LEU A 646 -2.291 2.137 -6.301 1.00 61.03 H new ATOM 0 HD22 LEU A 646 -2.282 1.011 -4.923 1.00 61.03 H new ATOM 0 HD23 LEU A 646 -3.607 0.954 -6.110 1.00 61.03 H new ATOM 1292 N LEU A 647 -7.273 0.706 -2.796 1.00 73.40 N ATOM 1293 CA LEU A 647 -8.160 0.234 -1.738 1.00 5.12 C ATOM 1294 C LEU A 647 -8.706 -1.152 -2.065 1.00 23.35 C ATOM 1295 O LEU A 647 -8.900 -1.980 -1.174 1.00 21.24 O ATOM 1296 CB LEU A 647 -9.317 1.215 -1.540 1.00 42.33 C ATOM 1297 CG LEU A 647 -8.936 2.612 -1.048 1.00 13.20 C ATOM 1298 CD1 LEU A 647 -10.179 3.411 -0.694 1.00 43.44 C ATOM 1299 CD2 LEU A 647 -8.002 2.518 0.150 1.00 34.32 C ATOM 0 H LEU A 647 -7.584 1.561 -3.258 1.00 73.40 H new ATOM 0 HA LEU A 647 -7.583 0.170 -0.815 1.00 5.12 H new ATOM 0 HB2 LEU A 647 -9.846 1.317 -2.487 1.00 42.33 H new ATOM 0 HB3 LEU A 647 -10.018 0.780 -0.828 1.00 42.33 H new ATOM 0 HG LEU A 647 -8.414 3.130 -1.853 1.00 13.20 H new ATOM 0 HD11 LEU A 647 -9.888 4.402 -0.346 1.00 43.44 H new ATOM 0 HD12 LEU A 647 -10.813 3.508 -1.576 1.00 43.44 H new ATOM 0 HD13 LEU A 647 -10.730 2.897 0.094 1.00 43.44 H new ATOM 0 HD21 LEU A 647 -7.741 3.521 0.487 1.00 34.32 H new ATOM 0 HD22 LEU A 647 -8.499 1.981 0.958 1.00 34.32 H new ATOM 0 HD23 LEU A 647 -7.096 1.984 -0.136 1.00 34.32 H new ATOM 1310 N ASP A 648 -8.950 -1.400 -3.348 1.00 74.34 N ATOM 1311 CA ASP A 648 -9.469 -2.688 -3.793 1.00 63.32 C ATOM 1312 C ASP A 648 -8.382 -3.756 -3.750 1.00 12.45 C ATOM 1313 O ASP A 648 -8.618 -4.879 -3.304 1.00 12.12 O ATOM 1314 CB ASP A 648 -10.033 -2.572 -5.209 1.00 43.44 C ATOM 1315 CG ASP A 648 -11.526 -2.304 -5.218 1.00 61.22 C ATOM 1316 OD1 ASP A 648 -11.934 -1.203 -4.790 1.00 23.43 O ATOM 1317 OD2 ASP A 648 -12.286 -3.194 -5.653 1.00 12.14 O ATOM 0 H ASP A 648 -8.797 -0.726 -4.098 1.00 74.34 H new ATOM 0 HA ASP A 648 -10.270 -2.984 -3.115 1.00 63.32 H new ATOM 0 HB2 ASP A 648 -9.519 -1.768 -5.737 1.00 43.44 H new ATOM 0 HB3 ASP A 648 -9.829 -3.493 -5.755 1.00 43.44 H new ATOM 1321 N ARG A 649 -7.190 -3.399 -4.220 1.00 25.41 N ATOM 1322 CA ARG A 649 -6.067 -4.329 -4.239 1.00 71.45 C ATOM 1323 C ARG A 649 -5.619 -4.669 -2.820 1.00 52.30 C ATOM 1324 O ARG A 649 -5.457 -5.838 -2.472 1.00 32.44 O ATOM 1325 CB ARG A 649 -4.898 -3.733 -5.025 1.00 20.12 C ATOM 1326 CG ARG A 649 -5.062 -3.836 -6.532 1.00 22.31 C ATOM 1327 CD ARG A 649 -4.524 -5.157 -7.062 1.00 53.24 C ATOM 1328 NE ARG A 649 -3.111 -5.068 -7.419 1.00 64.42 N ATOM 1329 CZ ARG A 649 -2.449 -6.035 -8.045 1.00 43.35 C ATOM 1330 NH1 ARG A 649 -3.070 -7.156 -8.384 1.00 61.25 N ATOM 1331 NH2 ARG A 649 -1.164 -5.880 -8.336 1.00 62.23 N ATOM 0 H ARG A 649 -6.978 -2.473 -4.592 1.00 25.41 H new ATOM 0 HA ARG A 649 -6.395 -5.246 -4.728 1.00 71.45 H new ATOM 0 HB2 ARG A 649 -4.784 -2.684 -4.751 1.00 20.12 H new ATOM 0 HB3 ARG A 649 -3.979 -4.240 -4.733 1.00 20.12 H new ATOM 0 HG2 ARG A 649 -6.116 -3.741 -6.792 1.00 22.31 H new ATOM 0 HG3 ARG A 649 -4.539 -3.010 -7.013 1.00 22.31 H new ATOM 0 HD2 ARG A 649 -4.659 -5.932 -6.308 1.00 53.24 H new ATOM 0 HD3 ARG A 649 -5.101 -5.459 -7.936 1.00 53.24 H new ATOM 0 HE ARG A 649 -2.605 -4.217 -7.174 1.00 64.42 H new ATOM 0 HH11 ARG A 649 -4.059 -7.278 -8.164 1.00 61.25 H new ATOM 0 HH12 ARG A 649 -2.559 -7.897 -8.865 1.00 61.25 H new ATOM 0 HH21 ARG A 649 -0.683 -5.018 -8.079 1.00 62.23 H new ATOM 0 HH22 ARG A 649 -0.657 -6.623 -8.817 1.00 62.23 H new ATOM 1342 N VAL A 650 -5.421 -3.638 -2.004 1.00 52.00 N ATOM 1343 CA VAL A 650 -4.992 -3.827 -0.623 1.00 10.14 C ATOM 1344 C VAL A 650 -5.959 -4.731 0.133 1.00 12.31 C ATOM 1345 O VAL A 650 -5.552 -5.507 0.999 1.00 62.14 O ATOM 1346 CB VAL A 650 -4.878 -2.482 0.118 1.00 41.11 C ATOM 1347 CG1 VAL A 650 -6.245 -2.019 0.600 1.00 30.43 C ATOM 1348 CG2 VAL A 650 -3.903 -2.596 1.280 1.00 63.23 C ATOM 0 H VAL A 650 -5.551 -2.663 -2.276 1.00 52.00 H new ATOM 0 HA VAL A 650 -4.010 -4.298 -0.658 1.00 10.14 H new ATOM 0 HB VAL A 650 -4.494 -1.735 -0.577 1.00 41.11 H new ATOM 0 HG11 VAL A 650 -6.144 -1.067 1.121 1.00 30.43 H new ATOM 0 HG12 VAL A 650 -6.910 -1.896 -0.255 1.00 30.43 H new ATOM 0 HG13 VAL A 650 -6.662 -2.762 1.280 1.00 30.43 H new ATOM 0 HG21 VAL A 650 -3.834 -1.637 1.793 1.00 63.23 H new ATOM 0 HG22 VAL A 650 -4.255 -3.356 1.977 1.00 63.23 H new ATOM 0 HG23 VAL A 650 -2.920 -2.877 0.904 1.00 63.23 H new ATOM 1358 N LEU A 651 -7.240 -4.626 -0.200 1.00 43.34 N ATOM 1359 CA LEU A 651 -8.268 -5.435 0.449 1.00 14.51 C ATOM 1360 C LEU A 651 -8.181 -6.889 -0.004 1.00 11.42 C ATOM 1361 O LEU A 651 -8.478 -7.806 0.761 1.00 2.50 O ATOM 1362 CB LEU A 651 -9.657 -4.874 0.138 1.00 3.01 C ATOM 1363 CG LEU A 651 -10.147 -3.750 1.053 1.00 10.25 C ATOM 1364 CD1 LEU A 651 -11.509 -3.249 0.599 1.00 32.34 C ATOM 1365 CD2 LEU A 651 -10.204 -4.225 2.497 1.00 24.02 C ATOM 0 H LEU A 651 -7.593 -3.990 -0.915 1.00 43.34 H new ATOM 0 HA LEU A 651 -8.101 -5.398 1.525 1.00 14.51 H new ATOM 0 HB2 LEU A 651 -9.657 -4.506 -0.888 1.00 3.01 H new ATOM 0 HB3 LEU A 651 -10.376 -5.692 0.183 1.00 3.01 H new ATOM 0 HG LEU A 651 -9.440 -2.923 0.992 1.00 10.25 H new ATOM 0 HD11 LEU A 651 -11.842 -2.450 1.261 1.00 32.34 H new ATOM 0 HD12 LEU A 651 -11.436 -2.869 -0.420 1.00 32.34 H new ATOM 0 HD13 LEU A 651 -12.227 -4.069 0.630 1.00 32.34 H new ATOM 0 HD21 LEU A 651 -10.555 -3.413 3.134 1.00 24.02 H new ATOM 0 HD22 LEU A 651 -10.889 -5.069 2.576 1.00 24.02 H new ATOM 0 HD23 LEU A 651 -9.209 -4.534 2.818 1.00 24.02 H new ATOM 1376 N ALA A 652 -7.770 -7.092 -1.251 1.00 4.41 N ATOM 1377 CA ALA A 652 -7.639 -8.435 -1.805 1.00 43.04 C ATOM 1378 C ALA A 652 -6.587 -9.239 -1.050 1.00 21.34 C ATOM 1379 O ALA A 652 -6.846 -10.356 -0.606 1.00 63.21 O ATOM 1380 CB ALA A 652 -7.294 -8.364 -3.284 1.00 21.25 C ATOM 0 H ALA A 652 -7.522 -6.343 -1.898 1.00 4.41 H new ATOM 0 HA ALA A 652 -8.596 -8.944 -1.692 1.00 43.04 H new ATOM 0 HB1 ALA A 652 -7.199 -9.373 -3.684 1.00 21.25 H new ATOM 0 HB2 ALA A 652 -8.084 -7.835 -3.817 1.00 21.25 H new ATOM 0 HB3 ALA A 652 -6.351 -7.833 -3.413 1.00 21.25 H new ATOM 1386 N ALA A 653 -5.397 -8.663 -0.910 1.00 3.53 N ATOM 1387 CA ALA A 653 -4.304 -9.327 -0.209 1.00 43.42 C ATOM 1388 C ALA A 653 -4.604 -9.448 1.281 1.00 20.22 C ATOM 1389 O ALA A 653 -4.498 -10.531 1.860 1.00 13.22 O ATOM 1390 CB ALA A 653 -3.002 -8.573 -0.428 1.00 72.14 C ATOM 0 H ALA A 653 -5.165 -7.738 -1.273 1.00 3.53 H new ATOM 0 HA ALA A 653 -4.200 -10.333 -0.616 1.00 43.42 H new ATOM 0 HB1 ALA A 653 -2.195 -9.080 0.101 1.00 72.14 H new ATOM 0 HB2 ALA A 653 -2.774 -8.542 -1.494 1.00 72.14 H new ATOM 0 HB3 ALA A 653 -3.102 -7.556 -0.049 1.00 72.14 H new ATOM 1396 N HIS A 654 -4.977 -8.332 1.899 1.00 12.01 N ATOM 1397 CA HIS A 654 -5.291 -8.314 3.324 1.00 2.52 C ATOM 1398 C HIS A 654 -6.358 -9.352 3.657 1.00 24.55 C ATOM 1399 O HIS A 654 -6.340 -9.952 4.733 1.00 13.20 O ATOM 1400 CB HIS A 654 -5.767 -6.924 3.745 1.00 14.51 C ATOM 1401 CG HIS A 654 -6.311 -6.874 5.139 1.00 73.43 C ATOM 1402 ND1 HIS A 654 -5.574 -6.440 6.220 1.00 73.21 N ATOM 1403 CD2 HIS A 654 -7.530 -7.206 5.627 1.00 14.32 C ATOM 1404 CE1 HIS A 654 -6.314 -6.509 7.312 1.00 53.11 C ATOM 1405 NE2 HIS A 654 -7.506 -6.970 6.979 1.00 52.25 N ATOM 0 H HIS A 654 -5.069 -7.428 1.436 1.00 12.01 H new ATOM 0 HA HIS A 654 -4.383 -8.561 3.875 1.00 2.52 H new ATOM 0 HB2 HIS A 654 -4.936 -6.224 3.663 1.00 14.51 H new ATOM 0 HB3 HIS A 654 -6.537 -6.587 3.051 1.00 14.51 H new ATOM 0 HD2 HIS A 654 -8.366 -7.586 5.058 1.00 14.32 H new ATOM 0 HE1 HIS A 654 -5.998 -6.235 8.308 1.00 53.11 H new ATOM 0 HE2 HIS A 654 -8.282 -7.125 7.622 1.00 52.25 H new ATOM 1412 N ALA A 655 -7.285 -9.560 2.728 1.00 64.44 N ATOM 1413 CA ALA A 655 -8.359 -10.527 2.925 1.00 42.50 C ATOM 1414 C ALA A 655 -7.863 -11.952 2.704 1.00 34.04 C ATOM 1415 O ALA A 655 -8.133 -12.845 3.505 1.00 24.41 O ATOM 1416 CB ALA A 655 -9.521 -10.221 1.992 1.00 64.21 C ATOM 0 H ALA A 655 -7.314 -9.073 1.832 1.00 64.44 H new ATOM 0 HA ALA A 655 -8.703 -10.446 3.956 1.00 42.50 H new ATOM 0 HB1 ALA A 655 -10.316 -10.950 2.149 1.00 64.21 H new ATOM 0 HB2 ALA A 655 -9.900 -9.220 2.199 1.00 64.21 H new ATOM 0 HB3 ALA A 655 -9.181 -10.273 0.958 1.00 64.21 H new ATOM 1422 N TYR A 656 -7.135 -12.156 1.611 1.00 33.54 N ATOM 1423 CA TYR A 656 -6.601 -13.473 1.283 1.00 64.25 C ATOM 1424 C TYR A 656 -5.664 -13.970 2.379 1.00 13.34 C ATOM 1425 O TYR A 656 -5.774 -15.107 2.837 1.00 32.12 O ATOM 1426 CB TYR A 656 -5.863 -13.430 -0.055 1.00 54.44 C ATOM 1427 CG TYR A 656 -5.158 -14.721 -0.401 1.00 50.31 C ATOM 1428 CD1 TYR A 656 -5.837 -15.760 -1.025 1.00 33.24 C ATOM 1429 CD2 TYR A 656 -3.813 -14.902 -0.105 1.00 22.14 C ATOM 1430 CE1 TYR A 656 -5.197 -16.944 -1.341 1.00 55.44 C ATOM 1431 CE2 TYR A 656 -3.164 -16.081 -0.420 1.00 60.23 C ATOM 1432 CZ TYR A 656 -3.861 -17.098 -1.038 1.00 61.52 C ATOM 1433 OH TYR A 656 -3.219 -18.274 -1.352 1.00 1.51 O ATOM 0 H TYR A 656 -6.901 -11.426 0.938 1.00 33.54 H new ATOM 0 HA TYR A 656 -7.438 -14.166 1.205 1.00 64.25 H new ATOM 0 HB2 TYR A 656 -6.575 -13.192 -0.845 1.00 54.44 H new ATOM 0 HB3 TYR A 656 -5.132 -12.622 -0.031 1.00 54.44 H new ATOM 0 HD1 TYR A 656 -6.883 -15.641 -1.267 1.00 33.24 H new ATOM 0 HD2 TYR A 656 -3.265 -14.108 0.380 1.00 22.14 H new ATOM 0 HE1 TYR A 656 -5.740 -17.744 -1.822 1.00 55.44 H new ATOM 0 HE2 TYR A 656 -2.118 -16.205 -0.184 1.00 60.23 H new ATOM 0 HH TYR A 656 -2.281 -18.219 -1.073 1.00 1.51 H new ATOM 1442 N TRP A 657 -4.742 -13.109 2.794 1.00 21.23 N ATOM 1443 CA TRP A 657 -3.784 -13.459 3.837 1.00 53.32 C ATOM 1444 C TRP A 657 -4.481 -13.630 5.182 1.00 4.22 C ATOM 1445 O TRP A 657 -4.085 -14.466 5.995 1.00 14.21 O ATOM 1446 CB TRP A 657 -2.700 -12.385 3.944 1.00 10.43 C ATOM 1447 CG TRP A 657 -1.875 -12.247 2.699 1.00 43.23 C ATOM 1448 CD1 TRP A 657 -1.668 -11.108 1.976 1.00 12.22 C ATOM 1449 CD2 TRP A 657 -1.150 -13.286 2.032 1.00 23.03 C ATOM 1450 NE1 TRP A 657 -0.858 -11.375 0.899 1.00 21.23 N ATOM 1451 CE2 TRP A 657 -0.525 -12.705 0.912 1.00 44.45 C ATOM 1452 CE3 TRP A 657 -0.966 -14.650 2.273 1.00 60.13 C ATOM 1453 CZ2 TRP A 657 0.268 -13.442 0.036 1.00 44.32 C ATOM 1454 CZ3 TRP A 657 -0.179 -15.380 1.404 1.00 4.35 C ATOM 1455 CH2 TRP A 657 0.430 -14.776 0.296 1.00 54.05 C ATOM 0 H TRP A 657 -4.637 -12.164 2.425 1.00 21.23 H new ATOM 0 HA TRP A 657 -3.321 -14.408 3.566 1.00 53.32 H new ATOM 0 HB2 TRP A 657 -3.169 -11.427 4.169 1.00 10.43 H new ATOM 0 HB3 TRP A 657 -2.044 -12.623 4.781 1.00 10.43 H new ATOM 0 HD1 TRP A 657 -2.080 -10.139 2.215 1.00 12.22 H new ATOM 0 HE1 TRP A 657 -0.554 -10.694 0.203 1.00 21.23 H new ATOM 0 HE3 TRP A 657 -1.431 -15.125 3.124 1.00 60.13 H new ATOM 0 HZ2 TRP A 657 0.738 -12.978 -0.818 1.00 44.32 H new ATOM 0 HZ3 TRP A 657 -0.030 -16.435 1.582 1.00 4.35 H new ATOM 0 HH2 TRP A 657 1.039 -15.374 -0.365 1.00 54.05 H new ATOM 1465 N SER A 658 -5.521 -12.834 5.410 1.00 24.41 N ATOM 1466 CA SER A 658 -6.271 -12.897 6.658 1.00 72.30 C ATOM 1467 C SER A 658 -6.894 -14.276 6.850 1.00 43.23 C ATOM 1468 O SER A 658 -6.983 -14.778 7.970 1.00 41.31 O ATOM 1469 CB SER A 658 -7.362 -11.824 6.677 1.00 5.01 C ATOM 1470 OG SER A 658 -8.389 -12.156 7.595 1.00 23.34 O ATOM 0 H SER A 658 -5.863 -12.138 4.747 1.00 24.41 H new ATOM 0 HA SER A 658 -5.577 -12.714 7.479 1.00 72.30 H new ATOM 0 HB2 SER A 658 -6.926 -10.862 6.947 1.00 5.01 H new ATOM 0 HB3 SER A 658 -7.785 -11.713 5.678 1.00 5.01 H new ATOM 0 HG SER A 658 -9.073 -11.454 7.589 1.00 23.34 H new ATOM 1475 N GLN A 659 -7.325 -14.882 5.748 1.00 61.34 N ATOM 1476 CA GLN A 659 -7.941 -16.202 5.794 1.00 32.24 C ATOM 1477 C GLN A 659 -7.004 -17.218 6.439 1.00 11.10 C ATOM 1478 O GLN A 659 -7.448 -18.235 6.972 1.00 45.31 O ATOM 1479 CB GLN A 659 -8.318 -16.662 4.384 1.00 41.04 C ATOM 1480 CG GLN A 659 -9.668 -16.144 3.916 1.00 41.11 C ATOM 1481 CD GLN A 659 -10.356 -17.094 2.956 1.00 43.41 C ATOM 1482 OE1 GLN A 659 -10.845 -18.151 3.354 1.00 25.32 O ATOM 1483 NE2 GLN A 659 -10.399 -16.720 1.682 1.00 23.12 N ATOM 0 H GLN A 659 -7.259 -14.480 4.813 1.00 61.34 H new ATOM 0 HA GLN A 659 -8.845 -16.132 6.400 1.00 32.24 H new ATOM 0 HB2 GLN A 659 -7.549 -16.332 3.685 1.00 41.04 H new ATOM 0 HB3 GLN A 659 -8.327 -17.752 4.356 1.00 41.04 H new ATOM 0 HG2 GLN A 659 -10.310 -15.980 4.782 1.00 41.11 H new ATOM 0 HG3 GLN A 659 -9.534 -15.177 3.431 1.00 41.11 H new ATOM 0 HE21 GLN A 659 -9.981 -15.835 1.396 1.00 23.12 H new ATOM 0 HE22 GLN A 659 -10.851 -17.318 0.990 1.00 23.12 H new