USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 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 180:sc= 0 USER MOD Single : A 594 HIS : no HD1:sc= -0.182 K(o=-0.18,f=-0.74) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 604 LYS NZ :NH3+ 170:sc=-0.00331 (180deg=-0.114) USER MOD Single : A 605 MET CE :methyl -147:sc= 0 (180deg=-0.928) USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.572) USER MOD Single : A 622 LYS NZ :NH3+ 158:sc= -0.0837 (180deg=-1.14) USER MOD Single : A 624 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.142) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 631 SER OG : rot -55:sc= 0.945 USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 HIS : no HD1:sc= -0.0655 X(o=-0.065,f=0) 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 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.276 10.149 -3.335 1.00 14.02 N ATOM 322 CA SER A 581 0.162 10.293 -4.265 1.00 50.24 C ATOM 323 C SER A 581 -0.305 8.931 -4.769 1.00 44.10 C ATOM 324 O SER A 581 0.234 7.895 -4.380 1.00 5.14 O ATOM 325 CB SER A 581 0.567 11.175 -5.447 1.00 24.43 C ATOM 326 OG SER A 581 0.699 12.529 -5.052 1.00 64.24 O ATOM 0 HA SER A 581 -0.663 10.767 -3.733 1.00 50.24 H new ATOM 0 HB2 SER A 581 1.510 10.821 -5.863 1.00 24.43 H new ATOM 0 HB3 SER A 581 -0.180 11.095 -6.237 1.00 24.43 H new ATOM 0 HG SER A 581 0.960 13.071 -5.825 1.00 64.24 H new ATOM 331 N VAL A 582 -1.312 8.940 -5.636 1.00 73.31 N ATOM 332 CA VAL A 582 -1.852 7.707 -6.195 1.00 5.31 C ATOM 333 C VAL A 582 -0.746 6.840 -6.784 1.00 71.31 C ATOM 334 O VAL A 582 -0.780 5.615 -6.677 1.00 23.41 O ATOM 335 CB VAL A 582 -2.899 7.996 -7.287 1.00 70.33 C ATOM 336 CG1 VAL A 582 -4.173 8.555 -6.671 1.00 14.20 C ATOM 337 CG2 VAL A 582 -2.335 8.954 -8.324 1.00 32.42 C ATOM 0 H VAL A 582 -1.771 9.789 -5.967 1.00 73.31 H new ATOM 0 HA VAL A 582 -2.332 7.172 -5.375 1.00 5.31 H new ATOM 0 HB VAL A 582 -3.146 7.059 -7.786 1.00 70.33 H new ATOM 0 HG11 VAL A 582 -4.901 8.753 -7.458 1.00 14.20 H new ATOM 0 HG12 VAL A 582 -4.586 7.831 -5.969 1.00 14.20 H new ATOM 0 HG13 VAL A 582 -3.946 9.482 -6.145 1.00 14.20 H new ATOM 0 HG21 VAL A 582 -3.088 9.147 -9.088 1.00 32.42 H new ATOM 0 HG22 VAL A 582 -2.059 9.891 -7.841 1.00 32.42 H new ATOM 0 HG23 VAL A 582 -1.453 8.511 -8.787 1.00 32.42 H new ATOM 347 N ALA A 583 0.235 7.485 -7.406 1.00 23.23 N ATOM 348 CA ALA A 583 1.355 6.773 -8.011 1.00 15.11 C ATOM 349 C ALA A 583 2.246 6.145 -6.945 1.00 22.21 C ATOM 350 O ALA A 583 2.672 4.998 -7.076 1.00 62.44 O ATOM 351 CB ALA A 583 2.164 7.713 -8.893 1.00 42.22 C ATOM 0 H ALA A 583 0.277 8.499 -7.504 1.00 23.23 H new ATOM 0 HA ALA A 583 0.952 5.970 -8.629 1.00 15.11 H new ATOM 0 HB1 ALA A 583 2.997 7.168 -9.338 1.00 42.22 H new ATOM 0 HB2 ALA A 583 1.526 8.110 -9.683 1.00 42.22 H new ATOM 0 HB3 ALA A 583 2.549 8.536 -8.291 1.00 42.22 H new ATOM 357 N GLU A 584 2.526 6.905 -5.891 1.00 74.11 N ATOM 358 CA GLU A 584 3.369 6.423 -4.803 1.00 2.14 C ATOM 359 C GLU A 584 2.694 5.272 -4.062 1.00 63.24 C ATOM 360 O GLU A 584 3.262 4.189 -3.925 1.00 25.52 O ATOM 361 CB GLU A 584 3.681 7.559 -3.827 1.00 14.43 C ATOM 362 CG GLU A 584 4.446 8.710 -4.459 1.00 53.04 C ATOM 363 CD GLU A 584 5.929 8.664 -4.149 1.00 73.41 C ATOM 364 OE1 GLU A 584 6.536 7.585 -4.309 1.00 32.21 O ATOM 365 OE2 GLU A 584 6.484 9.708 -3.748 1.00 73.24 O ATOM 0 H GLU A 584 2.181 7.857 -5.767 1.00 74.11 H new ATOM 0 HA GLU A 584 4.301 6.059 -5.234 1.00 2.14 H new ATOM 0 HB2 GLU A 584 2.747 7.938 -3.413 1.00 14.43 H new ATOM 0 HB3 GLU A 584 4.261 7.162 -2.994 1.00 14.43 H new ATOM 0 HG2 GLU A 584 4.304 8.686 -5.539 1.00 53.04 H new ATOM 0 HG3 GLU A 584 4.033 9.654 -4.104 1.00 53.04 H new ATOM 370 N VAL A 585 1.477 5.516 -3.584 1.00 23.01 N ATOM 371 CA VAL A 585 0.725 4.501 -2.857 1.00 14.30 C ATOM 372 C VAL A 585 0.598 3.220 -3.674 1.00 4.03 C ATOM 373 O VAL A 585 0.594 2.120 -3.123 1.00 4.32 O ATOM 374 CB VAL A 585 -0.685 5.003 -2.490 1.00 21.44 C ATOM 375 CG1 VAL A 585 -1.461 3.923 -1.752 1.00 72.44 C ATOM 376 CG2 VAL A 585 -0.596 6.272 -1.656 1.00 34.13 C ATOM 0 H VAL A 585 0.992 6.407 -3.687 1.00 23.01 H new ATOM 0 HA VAL A 585 1.279 4.292 -1.942 1.00 14.30 H new ATOM 0 HB VAL A 585 -1.221 5.236 -3.410 1.00 21.44 H new ATOM 0 HG11 VAL A 585 -2.454 4.296 -1.501 1.00 72.44 H new ATOM 0 HG12 VAL A 585 -1.554 3.043 -2.388 1.00 72.44 H new ATOM 0 HG13 VAL A 585 -0.932 3.656 -0.837 1.00 72.44 H new ATOM 0 HG21 VAL A 585 -1.600 6.614 -1.405 1.00 34.13 H new ATOM 0 HG22 VAL A 585 -0.043 6.067 -0.739 1.00 34.13 H new ATOM 0 HG23 VAL A 585 -0.081 7.046 -2.225 1.00 34.13 H new ATOM 386 N GLU A 586 0.497 3.372 -4.991 1.00 4.31 N ATOM 387 CA GLU A 586 0.370 2.226 -5.884 1.00 3.21 C ATOM 388 C GLU A 586 1.532 1.255 -5.692 1.00 63.35 C ATOM 389 O GLU A 586 1.351 0.038 -5.726 1.00 52.12 O ATOM 390 CB GLU A 586 0.314 2.689 -7.341 1.00 72.51 C ATOM 391 CG GLU A 586 -1.094 2.980 -7.833 1.00 32.34 C ATOM 392 CD GLU A 586 -1.109 3.843 -9.079 1.00 12.33 C ATOM 393 OE1 GLU A 586 -0.019 4.135 -9.613 1.00 15.25 O ATOM 394 OE2 GLU A 586 -2.213 4.225 -9.522 1.00 62.04 O ATOM 0 H GLU A 586 0.501 4.276 -5.463 1.00 4.31 H new ATOM 0 HA GLU A 586 -0.558 1.709 -5.639 1.00 3.21 H new ATOM 0 HB2 GLU A 586 0.921 3.587 -7.452 1.00 72.51 H new ATOM 0 HB3 GLU A 586 0.760 1.922 -7.975 1.00 72.51 H new ATOM 0 HG2 GLU A 586 -1.604 2.039 -8.041 1.00 32.34 H new ATOM 0 HG3 GLU A 586 -1.655 3.479 -7.043 1.00 32.34 H new ATOM 399 N ALA A 587 2.726 1.804 -5.490 1.00 32.53 N ATOM 400 CA ALA A 587 3.918 0.988 -5.292 1.00 41.02 C ATOM 401 C ALA A 587 3.855 0.239 -3.965 1.00 43.20 C ATOM 402 O ALA A 587 4.343 -0.886 -3.852 1.00 61.42 O ATOM 403 CB ALA A 587 5.167 1.855 -5.352 1.00 53.53 C ATOM 0 H ALA A 587 2.893 2.810 -5.459 1.00 32.53 H new ATOM 0 HA ALA A 587 3.962 0.251 -6.094 1.00 41.02 H new ATOM 0 HB1 ALA A 587 6.049 1.233 -5.203 1.00 53.53 H new ATOM 0 HB2 ALA A 587 5.226 2.341 -6.326 1.00 53.53 H new ATOM 0 HB3 ALA A 587 5.121 2.613 -4.570 1.00 53.53 H new ATOM 409 N LEU A 588 3.252 0.869 -2.963 1.00 62.20 N ATOM 410 CA LEU A 588 3.127 0.262 -1.642 1.00 13.14 C ATOM 411 C LEU A 588 2.170 -0.926 -1.679 1.00 54.14 C ATOM 412 O LEU A 588 2.526 -2.036 -1.282 1.00 61.45 O ATOM 413 CB LEU A 588 2.635 1.296 -0.628 1.00 63.00 C ATOM 414 CG LEU A 588 2.835 0.938 0.845 1.00 32.40 C ATOM 415 CD1 LEU A 588 1.901 -0.192 1.251 1.00 74.34 C ATOM 416 CD2 LEU A 588 4.284 0.557 1.110 1.00 12.41 C ATOM 0 H LEU A 588 2.842 1.800 -3.040 1.00 62.20 H new ATOM 0 HA LEU A 588 4.111 -0.095 -1.338 1.00 13.14 H new ATOM 0 HB2 LEU A 588 3.144 2.239 -0.825 1.00 63.00 H new ATOM 0 HB3 LEU A 588 1.572 1.466 -0.799 1.00 63.00 H new ATOM 0 HG LEU A 588 2.595 1.814 1.448 1.00 32.40 H new ATOM 0 HD11 LEU A 588 2.057 -0.433 2.302 1.00 74.34 H new ATOM 0 HD12 LEU A 588 0.867 0.118 1.100 1.00 74.34 H new ATOM 0 HD13 LEU A 588 2.108 -1.072 0.642 1.00 74.34 H new ATOM 0 HD21 LEU A 588 4.407 0.305 2.163 1.00 12.41 H new ATOM 0 HD22 LEU A 588 4.552 -0.304 0.498 1.00 12.41 H new ATOM 0 HD23 LEU A 588 4.933 1.396 0.859 1.00 12.41 H new ATOM 427 N VAL A 589 0.954 -0.686 -2.159 1.00 40.02 N ATOM 428 CA VAL A 589 -0.053 -1.736 -2.250 1.00 32.51 C ATOM 429 C VAL A 589 0.393 -2.845 -3.196 1.00 23.12 C ATOM 430 O VAL A 589 0.318 -4.027 -2.862 1.00 54.12 O ATOM 431 CB VAL A 589 -1.405 -1.177 -2.733 1.00 33.14 C ATOM 432 CG1 VAL A 589 -1.229 -0.402 -4.030 1.00 55.12 C ATOM 433 CG2 VAL A 589 -2.414 -2.301 -2.907 1.00 44.42 C ATOM 0 H VAL A 589 0.642 0.227 -2.491 1.00 40.02 H new ATOM 0 HA VAL A 589 -0.175 -2.145 -1.247 1.00 32.51 H new ATOM 0 HB VAL A 589 -1.786 -0.491 -1.977 1.00 33.14 H new ATOM 0 HG11 VAL A 589 -2.194 -0.015 -4.356 1.00 55.12 H new ATOM 0 HG12 VAL A 589 -0.541 0.428 -3.868 1.00 55.12 H new ATOM 0 HG13 VAL A 589 -0.825 -1.063 -4.797 1.00 55.12 H new ATOM 0 HG21 VAL A 589 -3.363 -1.888 -3.249 1.00 44.42 H new ATOM 0 HG22 VAL A 589 -2.042 -3.013 -3.644 1.00 44.42 H new ATOM 0 HG23 VAL A 589 -2.561 -2.809 -1.954 1.00 44.42 H new ATOM 443 N GLU A 590 0.859 -2.455 -4.378 1.00 32.41 N ATOM 444 CA GLU A 590 1.317 -3.417 -5.373 1.00 33.34 C ATOM 445 C GLU A 590 2.451 -4.275 -4.819 1.00 14.01 C ATOM 446 O GLU A 590 2.612 -5.432 -5.203 1.00 24.14 O ATOM 447 CB GLU A 590 1.783 -2.693 -6.639 1.00 44.15 C ATOM 448 CG GLU A 590 0.644 -2.149 -7.483 1.00 12.42 C ATOM 449 CD GLU A 590 1.077 -1.007 -8.383 1.00 45.53 C ATOM 450 OE1 GLU A 590 2.295 -0.748 -8.464 1.00 34.52 O ATOM 451 OE2 GLU A 590 0.198 -0.374 -9.002 1.00 35.33 O ATOM 0 H GLU A 590 0.929 -1.480 -4.670 1.00 32.41 H new ATOM 0 HA GLU A 590 0.480 -4.069 -5.623 1.00 33.34 H new ATOM 0 HB2 GLU A 590 2.439 -1.870 -6.356 1.00 44.15 H new ATOM 0 HB3 GLU A 590 2.376 -3.380 -7.243 1.00 44.15 H new ATOM 0 HG2 GLU A 590 0.234 -2.953 -8.094 1.00 12.42 H new ATOM 0 HG3 GLU A 590 -0.157 -1.806 -6.828 1.00 12.42 H new ATOM 456 N ALA A 591 3.233 -3.698 -3.913 1.00 11.11 N ATOM 457 CA ALA A 591 4.351 -4.409 -3.304 1.00 11.34 C ATOM 458 C ALA A 591 3.859 -5.441 -2.295 1.00 30.23 C ATOM 459 O ALA A 591 4.346 -6.571 -2.261 1.00 1.31 O ATOM 460 CB ALA A 591 5.301 -3.427 -2.637 1.00 75.14 C ATOM 0 H ALA A 591 3.113 -2.740 -3.584 1.00 11.11 H new ATOM 0 HA ALA A 591 4.888 -4.936 -4.093 1.00 11.34 H new ATOM 0 HB1 ALA A 591 6.131 -3.972 -2.187 1.00 75.14 H new ATOM 0 HB2 ALA A 591 5.686 -2.730 -3.382 1.00 75.14 H new ATOM 0 HB3 ALA A 591 4.768 -2.874 -1.864 1.00 75.14 H new ATOM 466 N VAL A 592 2.893 -5.045 -1.473 1.00 20.01 N ATOM 467 CA VAL A 592 2.335 -5.936 -0.462 1.00 32.03 C ATOM 468 C VAL A 592 1.391 -6.956 -1.090 1.00 51.21 C ATOM 469 O VAL A 592 1.190 -8.044 -0.551 1.00 74.02 O ATOM 470 CB VAL A 592 1.577 -5.149 0.623 1.00 64.11 C ATOM 471 CG1 VAL A 592 0.462 -4.322 0.002 1.00 71.25 C ATOM 472 CG2 VAL A 592 1.025 -6.096 1.678 1.00 64.10 C ATOM 0 H VAL A 592 2.480 -4.112 -1.487 1.00 20.01 H new ATOM 0 HA VAL A 592 3.174 -6.458 -0.001 1.00 32.03 H new ATOM 0 HB VAL A 592 2.275 -4.467 1.108 1.00 64.11 H new ATOM 0 HG11 VAL A 592 -0.062 -3.773 0.784 1.00 71.25 H new ATOM 0 HG12 VAL A 592 0.887 -3.618 -0.714 1.00 71.25 H new ATOM 0 HG13 VAL A 592 -0.238 -4.982 -0.510 1.00 71.25 H new ATOM 0 HG21 VAL A 592 0.492 -5.524 2.437 1.00 64.10 H new ATOM 0 HG22 VAL A 592 0.340 -6.803 1.210 1.00 64.10 H new ATOM 0 HG23 VAL A 592 1.846 -6.640 2.144 1.00 64.10 H new ATOM 482 N GLU A 593 0.813 -6.595 -2.232 1.00 52.14 N ATOM 483 CA GLU A 593 -0.111 -7.479 -2.932 1.00 23.31 C ATOM 484 C GLU A 593 0.634 -8.643 -3.579 1.00 42.32 C ATOM 485 O GLU A 593 0.180 -9.787 -3.534 1.00 42.24 O ATOM 486 CB GLU A 593 -0.887 -6.702 -3.997 1.00 75.35 C ATOM 487 CG GLU A 593 -2.324 -6.402 -3.605 1.00 13.21 C ATOM 488 CD GLU A 593 -3.329 -7.156 -4.454 1.00 12.11 C ATOM 489 OE1 GLU A 593 -3.313 -6.979 -5.691 1.00 53.34 O ATOM 490 OE2 GLU A 593 -4.131 -7.924 -3.882 1.00 53.03 O ATOM 0 H GLU A 593 0.968 -5.698 -2.691 1.00 52.14 H new ATOM 0 HA GLU A 593 -0.813 -7.880 -2.201 1.00 23.31 H new ATOM 0 HB2 GLU A 593 -0.371 -5.763 -4.198 1.00 75.35 H new ATOM 0 HB3 GLU A 593 -0.884 -7.273 -4.926 1.00 75.35 H new ATOM 0 HG2 GLU A 593 -2.472 -6.661 -2.557 1.00 13.21 H new ATOM 0 HG3 GLU A 593 -2.506 -5.331 -3.698 1.00 13.21 H new ATOM 495 N HIS A 594 1.781 -8.343 -4.181 1.00 43.33 N ATOM 496 CA HIS A 594 2.589 -9.363 -4.837 1.00 25.15 C ATOM 497 C HIS A 594 3.497 -10.067 -3.833 1.00 63.14 C ATOM 498 O HIS A 594 3.589 -11.295 -3.816 1.00 1.04 O ATOM 499 CB HIS A 594 3.430 -8.740 -5.951 1.00 12.54 C ATOM 500 CG HIS A 594 4.117 -9.749 -6.819 1.00 75.10 C ATOM 501 ND1 HIS A 594 5.208 -10.481 -6.402 1.00 23.23 N ATOM 502 CD2 HIS A 594 3.862 -10.146 -8.088 1.00 62.44 C ATOM 503 CE1 HIS A 594 5.596 -11.285 -7.377 1.00 33.12 C ATOM 504 NE2 HIS A 594 4.794 -11.101 -8.411 1.00 30.53 N ATOM 0 H HIS A 594 2.171 -7.402 -4.228 1.00 43.33 H new ATOM 0 HA HIS A 594 1.914 -10.101 -5.270 1.00 25.15 H new ATOM 0 HB2 HIS A 594 2.789 -8.115 -6.572 1.00 12.54 H new ATOM 0 HB3 HIS A 594 4.179 -8.085 -5.506 1.00 12.54 H new ATOM 0 HD2 HIS A 594 3.072 -9.780 -8.727 1.00 62.44 H new ATOM 0 HE1 HIS A 594 6.426 -11.974 -7.336 1.00 33.12 H new ATOM 0 HE2 HIS A 594 4.857 -11.589 -9.304 1.00 30.53 H new ATOM 511 N LEU A 595 4.166 -9.282 -2.996 1.00 73.42 N ATOM 512 CA LEU A 595 5.068 -9.828 -1.988 1.00 41.30 C ATOM 513 C LEU A 595 4.289 -10.341 -0.781 1.00 14.31 C ATOM 514 O LEU A 595 4.815 -11.092 0.038 1.00 20.43 O ATOM 515 CB LEU A 595 6.074 -8.765 -1.545 1.00 64.34 C ATOM 516 CG LEU A 595 6.824 -8.042 -2.665 1.00 3.43 C ATOM 517 CD1 LEU A 595 7.317 -6.686 -2.188 1.00 33.13 C ATOM 518 CD2 LEU A 595 7.986 -8.891 -3.162 1.00 74.35 C ATOM 0 H LEU A 595 4.101 -8.264 -2.995 1.00 73.42 H new ATOM 0 HA LEU A 595 5.606 -10.665 -2.433 1.00 41.30 H new ATOM 0 HB2 LEU A 595 5.547 -8.020 -0.949 1.00 64.34 H new ATOM 0 HB3 LEU A 595 6.807 -9.237 -0.890 1.00 64.34 H new ATOM 0 HG LEU A 595 6.135 -7.883 -3.495 1.00 3.43 H new ATOM 0 HD11 LEU A 595 7.848 -6.186 -2.998 1.00 33.13 H new ATOM 0 HD12 LEU A 595 6.467 -6.077 -1.882 1.00 33.13 H new ATOM 0 HD13 LEU A 595 7.990 -6.821 -1.342 1.00 33.13 H new ATOM 0 HD21 LEU A 595 8.509 -8.362 -3.959 1.00 74.35 H new ATOM 0 HD22 LEU A 595 8.675 -9.081 -2.340 1.00 74.35 H new ATOM 0 HD23 LEU A 595 7.607 -9.839 -3.544 1.00 74.35 H new ATOM 529 N GLY A 596 3.028 -9.930 -0.678 1.00 12.52 N ATOM 530 CA GLY A 596 2.195 -10.360 0.430 1.00 73.43 C ATOM 531 C GLY A 596 2.478 -9.585 1.702 1.00 33.41 C ATOM 532 O GLY A 596 3.495 -8.898 1.807 1.00 11.10 O ATOM 0 H GLY A 596 2.569 -9.307 -1.342 1.00 12.52 H new ATOM 0 HA2 GLY A 596 1.146 -10.239 0.160 1.00 73.43 H new ATOM 0 HA3 GLY A 596 2.357 -11.422 0.612 1.00 73.43 H new ATOM 536 N THR A 597 1.575 -9.692 2.672 1.00 12.23 N ATOM 537 CA THR A 597 1.730 -8.993 3.941 1.00 21.31 C ATOM 538 C THR A 597 2.820 -9.636 4.792 1.00 2.11 C ATOM 539 O THR A 597 3.188 -9.115 5.844 1.00 73.50 O ATOM 540 CB THR A 597 0.413 -8.978 4.739 1.00 74.35 C ATOM 541 OG1 THR A 597 -0.168 -10.287 4.751 1.00 61.40 O ATOM 542 CG2 THR A 597 -0.572 -7.986 4.138 1.00 23.02 C ATOM 0 H THR A 597 0.728 -10.257 2.602 1.00 12.23 H new ATOM 0 HA THR A 597 2.014 -7.967 3.705 1.00 21.31 H new ATOM 0 HB THR A 597 0.636 -8.671 5.761 1.00 74.35 H new ATOM 0 HG1 THR A 597 -1.004 -10.269 5.262 1.00 61.40 H new ATOM 0 HG21 THR A 597 -1.495 -7.993 4.718 1.00 23.02 H new ATOM 0 HG22 THR A 597 -0.139 -6.986 4.157 1.00 23.02 H new ATOM 0 HG23 THR A 597 -0.789 -8.268 3.108 1.00 23.02 H new ATOM 550 N GLY A 598 3.332 -10.772 4.330 1.00 22.11 N ATOM 551 CA GLY A 598 4.375 -11.468 5.062 1.00 33.00 C ATOM 552 C GLY A 598 5.758 -11.179 4.514 1.00 64.53 C ATOM 553 O GLY A 598 6.706 -11.920 4.780 1.00 34.21 O ATOM 0 H GLY A 598 3.044 -11.223 3.462 1.00 22.11 H new ATOM 0 HA2 GLY A 598 4.335 -11.176 6.111 1.00 33.00 H new ATOM 0 HA3 GLY A 598 4.189 -12.541 5.022 1.00 33.00 H new ATOM 557 N ARG A 599 5.876 -10.101 3.745 1.00 62.45 N ATOM 558 CA ARG A 599 7.154 -9.718 3.157 1.00 55.41 C ATOM 559 C ARG A 599 7.367 -8.210 3.254 1.00 64.00 C ATOM 560 O ARG A 599 7.429 -7.516 2.240 1.00 54.12 O ATOM 561 CB ARG A 599 7.217 -10.159 1.694 1.00 25.52 C ATOM 562 CG ARG A 599 7.257 -11.669 1.514 1.00 53.03 C ATOM 563 CD ARG A 599 7.745 -12.051 0.126 1.00 23.15 C ATOM 564 NE ARG A 599 8.300 -13.402 0.095 1.00 75.40 N ATOM 565 CZ ARG A 599 7.564 -14.502 0.195 1.00 5.32 C ATOM 566 NH1 ARG A 599 6.248 -14.413 0.333 1.00 13.14 N ATOM 567 NH2 ARG A 599 8.143 -15.696 0.158 1.00 51.42 N ATOM 0 H ARG A 599 5.102 -9.478 3.515 1.00 62.45 H new ATOM 0 HA ARG A 599 7.947 -10.216 3.715 1.00 55.41 H new ATOM 0 HB2 ARG A 599 6.350 -9.761 1.166 1.00 25.52 H new ATOM 0 HB3 ARG A 599 8.101 -9.723 1.229 1.00 25.52 H new ATOM 0 HG2 ARG A 599 7.913 -12.109 2.265 1.00 53.03 H new ATOM 0 HG3 ARG A 599 6.262 -12.083 1.678 1.00 53.03 H new ATOM 0 HD2 ARG A 599 6.918 -11.982 -0.581 1.00 23.15 H new ATOM 0 HD3 ARG A 599 8.504 -11.340 -0.200 1.00 23.15 H new ATOM 0 HE ARG A 599 9.309 -13.506 -0.009 1.00 75.40 H new ATOM 0 HH11 ARG A 599 5.799 -13.498 0.362 1.00 13.14 H new ATOM 0 HH12 ARG A 599 5.685 -15.260 0.410 1.00 13.14 H new ATOM 0 HH21 ARG A 599 9.155 -15.769 0.053 1.00 51.42 H new ATOM 0 HH22 ARG A 599 7.576 -16.540 0.235 1.00 51.42 H new ATOM 578 N TRP A 600 7.478 -7.712 4.480 1.00 40.33 N ATOM 579 CA TRP A 600 7.684 -6.286 4.710 1.00 11.33 C ATOM 580 C TRP A 600 8.972 -5.809 4.048 1.00 52.41 C ATOM 581 O TRP A 600 8.974 -4.821 3.312 1.00 42.21 O ATOM 582 CB TRP A 600 7.727 -5.991 6.209 1.00 61.12 C ATOM 583 CG TRP A 600 6.561 -6.560 6.961 1.00 1.02 C ATOM 584 CD1 TRP A 600 5.312 -6.809 6.468 1.00 64.25 C ATOM 585 CD2 TRP A 600 6.536 -6.948 8.338 1.00 65.23 C ATOM 586 NE1 TRP A 600 4.512 -7.329 7.457 1.00 51.14 N ATOM 587 CE2 TRP A 600 5.239 -7.425 8.613 1.00 63.43 C ATOM 588 CE3 TRP A 600 7.483 -6.941 9.366 1.00 34.02 C ATOM 589 CZ2 TRP A 600 4.869 -7.888 9.873 1.00 62.00 C ATOM 590 CZ3 TRP A 600 7.113 -7.401 10.615 1.00 63.43 C ATOM 591 CH2 TRP A 600 5.816 -7.870 10.860 1.00 50.31 C ATOM 0 H TRP A 600 7.429 -8.274 5.330 1.00 40.33 H new ATOM 0 HA TRP A 600 6.847 -5.747 4.265 1.00 11.33 H new ATOM 0 HB2 TRP A 600 8.650 -6.395 6.625 1.00 61.12 H new ATOM 0 HB3 TRP A 600 7.755 -4.912 6.359 1.00 61.12 H new ATOM 0 HD1 TRP A 600 4.999 -6.624 5.451 1.00 64.25 H new ATOM 0 HE1 TRP A 600 3.535 -7.600 7.347 1.00 51.14 H new ATOM 0 HE3 TRP A 600 8.486 -6.582 9.187 1.00 34.02 H new ATOM 0 HZ2 TRP A 600 3.869 -8.249 10.064 1.00 62.00 H new ATOM 0 HZ3 TRP A 600 7.837 -7.399 11.417 1.00 63.43 H new ATOM 0 HH2 TRP A 600 5.559 -8.224 11.847 1.00 50.31 H new ATOM 601 N ARG A 601 10.066 -6.516 4.313 1.00 54.23 N ATOM 602 CA ARG A 601 11.361 -6.162 3.743 1.00 53.23 C ATOM 603 C ARG A 601 11.271 -6.040 2.225 1.00 64.51 C ATOM 604 O ARG A 601 11.766 -5.078 1.639 1.00 61.45 O ATOM 605 CB ARG A 601 12.410 -7.208 4.121 1.00 43.12 C ATOM 606 CG ARG A 601 11.996 -8.633 3.793 1.00 51.34 C ATOM 607 CD ARG A 601 12.900 -9.648 4.476 1.00 12.13 C ATOM 608 NE ARG A 601 13.004 -10.889 3.713 1.00 11.23 N ATOM 609 CZ ARG A 601 13.802 -11.895 4.052 1.00 12.22 C ATOM 610 NH1 ARG A 601 14.561 -11.807 5.135 1.00 62.41 N ATOM 611 NH2 ARG A 601 13.841 -12.992 3.307 1.00 20.23 N ATOM 0 H ARG A 601 10.082 -7.337 4.918 1.00 54.23 H new ATOM 0 HA ARG A 601 11.659 -5.196 4.150 1.00 53.23 H new ATOM 0 HB2 ARG A 601 13.341 -6.981 3.602 1.00 43.12 H new ATOM 0 HB3 ARG A 601 12.615 -7.135 5.189 1.00 43.12 H new ATOM 0 HG2 ARG A 601 10.964 -8.794 4.106 1.00 51.34 H new ATOM 0 HG3 ARG A 601 12.029 -8.783 2.714 1.00 51.34 H new ATOM 0 HD2 ARG A 601 13.893 -9.219 4.607 1.00 12.13 H new ATOM 0 HD3 ARG A 601 12.513 -9.866 5.472 1.00 12.13 H new ATOM 0 HE ARG A 601 12.433 -10.988 2.874 1.00 11.23 H new ATOM 0 HH11 ARG A 601 14.533 -10.965 5.710 1.00 62.41 H new ATOM 0 HH12 ARG A 601 15.173 -12.581 5.393 1.00 62.41 H new ATOM 0 HH21 ARG A 601 13.258 -13.063 2.473 1.00 20.23 H new ATOM 0 HH22 ARG A 601 14.454 -13.764 3.568 1.00 20.23 H new ATOM 622 N ASP A 602 10.637 -7.023 1.595 1.00 23.14 N ATOM 623 CA ASP A 602 10.483 -7.026 0.144 1.00 43.54 C ATOM 624 C ASP A 602 9.646 -5.837 -0.316 1.00 60.55 C ATOM 625 O ASP A 602 9.881 -5.276 -1.387 1.00 65.21 O ATOM 626 CB ASP A 602 9.833 -8.332 -0.318 1.00 15.10 C ATOM 627 CG ASP A 602 10.519 -9.555 0.257 1.00 1.35 C ATOM 628 OD1 ASP A 602 10.399 -9.784 1.479 1.00 73.20 O ATOM 629 OD2 ASP A 602 11.177 -10.284 -0.515 1.00 25.14 O ATOM 0 H ASP A 602 10.222 -7.827 2.065 1.00 23.14 H new ATOM 0 HA ASP A 602 11.474 -6.944 -0.302 1.00 43.54 H new ATOM 0 HB2 ASP A 602 8.783 -8.336 -0.024 1.00 15.10 H new ATOM 0 HB3 ASP A 602 9.859 -8.382 -1.407 1.00 15.10 H new ATOM 633 N VAL A 603 8.668 -5.457 0.500 1.00 74.50 N ATOM 634 CA VAL A 603 7.797 -4.333 0.177 1.00 62.11 C ATOM 635 C VAL A 603 8.577 -3.023 0.148 1.00 55.31 C ATOM 636 O VAL A 603 8.253 -2.112 -0.614 1.00 35.51 O ATOM 637 CB VAL A 603 6.643 -4.208 1.190 1.00 44.21 C ATOM 638 CG1 VAL A 603 5.870 -2.918 0.964 1.00 63.22 C ATOM 639 CG2 VAL A 603 5.721 -5.415 1.097 1.00 0.45 C ATOM 0 H VAL A 603 8.459 -5.911 1.389 1.00 74.50 H new ATOM 0 HA VAL A 603 7.383 -4.528 -0.812 1.00 62.11 H new ATOM 0 HB VAL A 603 7.066 -4.178 2.194 1.00 44.21 H new ATOM 0 HG11 VAL A 603 5.059 -2.848 1.689 1.00 63.22 H new ATOM 0 HG12 VAL A 603 6.540 -2.067 1.085 1.00 63.22 H new ATOM 0 HG13 VAL A 603 5.456 -2.914 -0.044 1.00 63.22 H new ATOM 0 HG21 VAL A 603 4.911 -5.311 1.819 1.00 0.45 H new ATOM 0 HG22 VAL A 603 5.305 -5.478 0.092 1.00 0.45 H new ATOM 0 HG23 VAL A 603 6.286 -6.322 1.313 1.00 0.45 H new ATOM 649 N LYS A 604 9.606 -2.935 0.983 1.00 71.12 N ATOM 650 CA LYS A 604 10.434 -1.738 1.054 1.00 32.21 C ATOM 651 C LYS A 604 11.258 -1.571 -0.219 1.00 74.21 C ATOM 652 O LYS A 604 11.281 -0.494 -0.817 1.00 4.24 O ATOM 653 CB LYS A 604 11.362 -1.805 2.268 1.00 41.15 C ATOM 654 CG LYS A 604 11.129 -0.691 3.275 1.00 75.51 C ATOM 655 CD LYS A 604 11.451 -1.141 4.690 1.00 34.11 C ATOM 656 CE LYS A 604 12.908 -1.553 4.826 1.00 42.23 C ATOM 657 NZ LYS A 604 13.832 -0.409 4.596 1.00 32.10 N ATOM 0 H LYS A 604 9.887 -3.680 1.621 1.00 71.12 H new ATOM 0 HA LYS A 604 9.774 -0.876 1.156 1.00 32.21 H new ATOM 0 HB2 LYS A 604 11.228 -2.766 2.765 1.00 41.15 H new ATOM 0 HB3 LYS A 604 12.396 -1.764 1.927 1.00 41.15 H new ATOM 0 HG2 LYS A 604 11.747 0.169 3.017 1.00 75.51 H new ATOM 0 HG3 LYS A 604 10.090 -0.365 3.224 1.00 75.51 H new ATOM 0 HD2 LYS A 604 11.234 -0.333 5.388 1.00 34.11 H new ATOM 0 HD3 LYS A 604 10.808 -1.978 4.962 1.00 34.11 H new ATOM 0 HE2 LYS A 604 13.078 -1.962 5.822 1.00 42.23 H new ATOM 0 HE3 LYS A 604 13.129 -2.347 4.113 1.00 42.23 H new ATOM 0 HZ1 LYS A 604 14.799 -0.685 4.861 1.00 32.10 H new ATOM 0 HZ2 LYS A 604 13.811 -0.143 3.591 1.00 32.10 H new ATOM 0 HZ3 LYS A 604 13.532 0.401 5.175 1.00 32.10 H new ATOM 667 N MET A 605 11.931 -2.640 -0.628 1.00 44.33 N ATOM 668 CA MET A 605 12.754 -2.612 -1.832 1.00 32.22 C ATOM 669 C MET A 605 11.884 -2.602 -3.084 1.00 12.34 C ATOM 670 O MET A 605 12.260 -2.033 -4.109 1.00 63.11 O ATOM 671 CB MET A 605 13.696 -3.817 -1.861 1.00 74.44 C ATOM 672 CG MET A 605 12.989 -5.135 -2.131 1.00 40.52 C ATOM 673 SD MET A 605 14.133 -6.519 -2.281 1.00 65.34 S ATOM 674 CE MET A 605 14.400 -6.926 -0.556 1.00 32.01 C ATOM 0 H MET A 605 11.923 -3.538 -0.144 1.00 44.33 H new ATOM 0 HA MET A 605 13.347 -1.698 -1.815 1.00 32.22 H new ATOM 0 HB2 MET A 605 14.454 -3.657 -2.628 1.00 74.44 H new ATOM 0 HB3 MET A 605 14.218 -3.883 -0.906 1.00 74.44 H new ATOM 0 HG2 MET A 605 12.285 -5.337 -1.324 1.00 40.52 H new ATOM 0 HG3 MET A 605 12.407 -5.049 -3.048 1.00 40.52 H new ATOM 0 HE1 MET A 605 15.419 -7.290 -0.421 1.00 32.01 H new ATOM 0 HE2 MET A 605 14.248 -6.036 0.055 1.00 32.01 H new ATOM 0 HE3 MET A 605 13.695 -7.700 -0.251 1.00 32.01 H new ATOM 682 N ARG A 606 10.719 -3.236 -2.995 1.00 72.01 N ATOM 683 CA ARG A 606 9.796 -3.301 -4.122 1.00 14.33 C ATOM 684 C ARG A 606 9.145 -1.943 -4.371 1.00 32.54 C ATOM 685 O ARG A 606 8.983 -1.523 -5.518 1.00 64.34 O ATOM 686 CB ARG A 606 8.718 -4.356 -3.866 1.00 75.21 C ATOM 687 CG ARG A 606 7.523 -4.243 -4.798 1.00 53.02 C ATOM 688 CD ARG A 606 7.937 -4.379 -6.255 1.00 75.34 C ATOM 689 NE ARG A 606 8.641 -5.633 -6.510 1.00 51.32 N ATOM 690 CZ ARG A 606 8.031 -6.807 -6.628 1.00 70.25 C ATOM 691 NH1 ARG A 606 6.712 -6.886 -6.515 1.00 3.31 N ATOM 692 NH2 ARG A 606 8.740 -7.904 -6.859 1.00 62.41 N ATOM 0 H ARG A 606 10.392 -3.712 -2.154 1.00 72.01 H new ATOM 0 HA ARG A 606 10.365 -3.580 -5.009 1.00 14.33 H new ATOM 0 HB2 ARG A 606 9.159 -5.347 -3.973 1.00 75.21 H new ATOM 0 HB3 ARG A 606 8.374 -4.269 -2.835 1.00 75.21 H new ATOM 0 HG2 ARG A 606 6.794 -5.016 -4.552 1.00 53.02 H new ATOM 0 HG3 ARG A 606 7.032 -3.282 -4.647 1.00 53.02 H new ATOM 0 HD2 ARG A 606 7.052 -4.325 -6.890 1.00 75.34 H new ATOM 0 HD3 ARG A 606 8.578 -3.541 -6.529 1.00 75.34 H new ATOM 0 HE ARG A 606 9.656 -5.606 -6.603 1.00 51.32 H new ATOM 0 HH11 ARG A 606 6.164 -6.044 -6.337 1.00 3.31 H new ATOM 0 HH12 ARG A 606 6.245 -7.788 -6.606 1.00 3.31 H new ATOM 0 HH21 ARG A 606 9.755 -7.847 -6.946 1.00 62.41 H new ATOM 0 HH22 ARG A 606 8.271 -8.805 -6.949 1.00 62.41 H new ATOM 703 N ALA A 607 8.776 -1.262 -3.292 1.00 42.54 N ATOM 704 CA ALA A 607 8.145 0.047 -3.393 1.00 32.33 C ATOM 705 C ALA A 607 9.183 1.163 -3.335 1.00 54.13 C ATOM 706 O ALA A 607 9.439 1.840 -4.330 1.00 20.24 O ATOM 707 CB ALA A 607 7.115 0.225 -2.288 1.00 10.24 C ATOM 0 H ALA A 607 8.903 -1.596 -2.337 1.00 42.54 H new ATOM 0 HA ALA A 607 7.640 0.105 -4.357 1.00 32.33 H new ATOM 0 HB1 ALA A 607 6.652 1.208 -2.377 1.00 10.24 H new ATOM 0 HB2 ALA A 607 6.349 -0.546 -2.377 1.00 10.24 H new ATOM 0 HB3 ALA A 607 7.604 0.141 -1.318 1.00 10.24 H new ATOM 713 N PHE A 608 9.778 1.350 -2.161 1.00 21.15 N ATOM 714 CA PHE A 608 10.788 2.385 -1.972 1.00 22.10 C ATOM 715 C PHE A 608 12.080 2.023 -2.699 1.00 0.00 C ATOM 716 O PHE A 608 12.642 0.948 -2.490 1.00 75.42 O ATOM 717 CB PHE A 608 11.068 2.589 -0.482 1.00 45.33 C ATOM 718 CG PHE A 608 9.850 2.970 0.310 1.00 74.30 C ATOM 719 CD1 PHE A 608 8.986 1.999 0.789 1.00 42.13 C ATOM 720 CD2 PHE A 608 9.568 4.301 0.573 1.00 63.33 C ATOM 721 CE1 PHE A 608 7.865 2.347 1.519 1.00 51.43 C ATOM 722 CE2 PHE A 608 8.449 4.655 1.303 1.00 34.21 C ATOM 723 CZ PHE A 608 7.595 3.677 1.775 1.00 71.44 C ATOM 0 H PHE A 608 9.578 0.798 -1.327 1.00 21.15 H new ATOM 0 HA PHE A 608 10.403 3.314 -2.392 1.00 22.10 H new ATOM 0 HB2 PHE A 608 11.487 1.671 -0.070 1.00 45.33 H new ATOM 0 HB3 PHE A 608 11.825 3.365 -0.366 1.00 45.33 H new ATOM 0 HD1 PHE A 608 9.191 0.957 0.590 1.00 42.13 H new ATOM 0 HD2 PHE A 608 10.230 5.070 0.203 1.00 63.33 H new ATOM 0 HE1 PHE A 608 7.201 1.580 1.889 1.00 51.43 H new ATOM 0 HE2 PHE A 608 8.242 5.696 1.504 1.00 34.21 H new ATOM 0 HZ PHE A 608 6.718 3.952 2.343 1.00 71.44 H new ATOM 828 N TYR A 616 10.953 -0.571 8.643 1.00 52.32 N ATOM 829 CA TYR A 616 9.853 -1.137 7.872 1.00 52.41 C ATOM 830 C TYR A 616 8.515 -0.558 8.325 1.00 34.35 C ATOM 831 O TYR A 616 7.519 -0.627 7.604 1.00 31.32 O ATOM 832 CB TYR A 616 9.834 -2.660 8.012 1.00 33.44 C ATOM 833 CG TYR A 616 9.796 -3.136 9.446 1.00 53.20 C ATOM 834 CD1 TYR A 616 8.637 -3.023 10.205 1.00 60.34 C ATOM 835 CD2 TYR A 616 10.917 -3.699 10.043 1.00 52.21 C ATOM 836 CE1 TYR A 616 8.597 -3.456 11.516 1.00 54.44 C ATOM 837 CE2 TYR A 616 10.885 -4.136 11.352 1.00 72.35 C ATOM 838 CZ TYR A 616 9.723 -4.012 12.085 1.00 63.54 C ATOM 839 OH TYR A 616 9.689 -4.445 13.391 1.00 13.33 O ATOM 0 HA TYR A 616 10.006 -0.876 6.825 1.00 52.41 H new ATOM 0 HB2 TYR A 616 8.966 -3.054 7.484 1.00 33.44 H new ATOM 0 HB3 TYR A 616 10.717 -3.072 7.525 1.00 33.44 H new ATOM 0 HD1 TYR A 616 7.753 -2.589 9.762 1.00 60.34 H new ATOM 0 HD2 TYR A 616 11.829 -3.796 9.473 1.00 52.21 H new ATOM 0 HE1 TYR A 616 7.689 -3.360 12.092 1.00 54.44 H new ATOM 0 HE2 TYR A 616 11.765 -4.573 11.800 1.00 72.35 H new ATOM 0 HH TYR A 616 10.564 -4.812 13.637 1.00 13.33 H new ATOM 848 N VAL A 617 8.501 0.016 9.524 1.00 23.34 N ATOM 849 CA VAL A 617 7.288 0.609 10.073 1.00 30.30 C ATOM 850 C VAL A 617 6.653 1.578 9.083 1.00 35.50 C ATOM 851 O VAL A 617 5.432 1.718 9.032 1.00 52.54 O ATOM 852 CB VAL A 617 7.575 1.354 11.390 1.00 41.01 C ATOM 853 CG1 VAL A 617 8.534 2.510 11.153 1.00 55.23 C ATOM 854 CG2 VAL A 617 6.279 1.845 12.018 1.00 10.32 C ATOM 0 H VAL A 617 9.316 0.083 10.133 1.00 23.34 H new ATOM 0 HA VAL A 617 6.596 -0.210 10.270 1.00 30.30 H new ATOM 0 HB VAL A 617 8.048 0.659 12.084 1.00 41.01 H new ATOM 0 HG11 VAL A 617 8.724 3.024 12.095 1.00 55.23 H new ATOM 0 HG12 VAL A 617 9.473 2.128 10.752 1.00 55.23 H new ATOM 0 HG13 VAL A 617 8.093 3.208 10.441 1.00 55.23 H new ATOM 0 HG21 VAL A 617 6.501 2.369 12.948 1.00 10.32 H new ATOM 0 HG22 VAL A 617 5.776 2.524 11.330 1.00 10.32 H new ATOM 0 HG23 VAL A 617 5.631 0.994 12.227 1.00 10.32 H new ATOM 864 N ASP A 618 7.491 2.245 8.295 1.00 43.15 N ATOM 865 CA ASP A 618 7.011 3.201 7.303 1.00 64.12 C ATOM 866 C ASP A 618 6.056 2.530 6.320 1.00 41.14 C ATOM 867 O ASP A 618 4.952 3.021 6.079 1.00 1.33 O ATOM 868 CB ASP A 618 8.189 3.819 6.549 1.00 1.14 C ATOM 869 CG ASP A 618 8.344 5.300 6.832 1.00 24.44 C ATOM 870 OD1 ASP A 618 8.616 5.655 7.998 1.00 62.43 O ATOM 871 OD2 ASP A 618 8.196 6.104 5.888 1.00 51.41 O ATOM 0 H ASP A 618 8.505 2.141 8.324 1.00 43.15 H new ATOM 0 HA ASP A 618 6.470 3.990 7.825 1.00 64.12 H new ATOM 0 HB2 ASP A 618 9.107 3.301 6.827 1.00 1.14 H new ATOM 0 HB3 ASP A 618 8.050 3.669 5.478 1.00 1.14 H new ATOM 875 N LEU A 619 6.489 1.409 5.756 1.00 12.54 N ATOM 876 CA LEU A 619 5.672 0.672 4.797 1.00 4.21 C ATOM 877 C LEU A 619 4.552 -0.085 5.505 1.00 34.04 C ATOM 878 O LEU A 619 3.488 -0.318 4.931 1.00 5.24 O ATOM 879 CB LEU A 619 6.541 -0.306 4.004 1.00 33.13 C ATOM 880 CG LEU A 619 6.752 -1.682 4.635 1.00 61.02 C ATOM 881 CD1 LEU A 619 5.669 -2.649 4.184 1.00 23.11 C ATOM 882 CD2 LEU A 619 8.131 -2.223 4.287 1.00 42.13 C ATOM 0 H LEU A 619 7.400 0.990 5.945 1.00 12.54 H new ATOM 0 HA LEU A 619 5.223 1.390 4.111 1.00 4.21 H new ATOM 0 HB2 LEU A 619 6.092 -0.445 3.021 1.00 33.13 H new ATOM 0 HB3 LEU A 619 7.517 0.153 3.846 1.00 33.13 H new ATOM 0 HG LEU A 619 6.688 -1.577 5.718 1.00 61.02 H new ATOM 0 HD11 LEU A 619 5.836 -3.623 4.644 1.00 23.11 H new ATOM 0 HD12 LEU A 619 4.693 -2.268 4.485 1.00 23.11 H new ATOM 0 HD13 LEU A 619 5.700 -2.750 3.099 1.00 23.11 H new ATOM 0 HD21 LEU A 619 8.263 -3.203 4.745 1.00 42.13 H new ATOM 0 HD22 LEU A 619 8.224 -2.312 3.205 1.00 42.13 H new ATOM 0 HD23 LEU A 619 8.895 -1.541 4.662 1.00 42.13 H new ATOM 893 N LYS A 620 4.797 -0.463 6.754 1.00 21.23 N ATOM 894 CA LYS A 620 3.809 -1.190 7.543 1.00 13.44 C ATOM 895 C LYS A 620 2.642 -0.283 7.922 1.00 34.24 C ATOM 896 O LYS A 620 1.494 -0.724 7.979 1.00 41.21 O ATOM 897 CB LYS A 620 4.455 -1.762 8.806 1.00 3.53 C ATOM 898 CG LYS A 620 3.761 -3.006 9.334 1.00 14.43 C ATOM 899 CD LYS A 620 4.635 -3.753 10.327 1.00 0.30 C ATOM 900 CE LYS A 620 4.384 -3.285 11.752 1.00 70.40 C ATOM 901 NZ LYS A 620 5.170 -2.063 12.081 1.00 13.53 N ATOM 0 H LYS A 620 5.673 -0.278 7.243 1.00 21.23 H new ATOM 0 HA LYS A 620 3.427 -2.010 6.935 1.00 13.44 H new ATOM 0 HB2 LYS A 620 5.498 -2.000 8.595 1.00 3.53 H new ATOM 0 HB3 LYS A 620 4.453 -0.998 9.583 1.00 3.53 H new ATOM 0 HG2 LYS A 620 2.823 -2.725 9.813 1.00 14.43 H new ATOM 0 HG3 LYS A 620 3.509 -3.664 8.502 1.00 14.43 H new ATOM 0 HD2 LYS A 620 4.438 -4.823 10.254 1.00 0.30 H new ATOM 0 HD3 LYS A 620 5.685 -3.604 10.074 1.00 0.30 H new ATOM 0 HE2 LYS A 620 3.322 -3.080 11.885 1.00 70.40 H new ATOM 0 HE3 LYS A 620 4.645 -4.083 12.448 1.00 70.40 H new ATOM 0 HZ1 LYS A 620 5.276 -1.986 13.113 1.00 13.53 H new ATOM 0 HZ2 LYS A 620 6.110 -2.125 11.640 1.00 13.53 H new ATOM 0 HZ3 LYS A 620 4.673 -1.223 11.721 1.00 13.53 H new ATOM 911 N ASP A 621 2.944 0.985 8.176 1.00 42.43 N ATOM 912 CA ASP A 621 1.919 1.955 8.548 1.00 5.24 C ATOM 913 C ASP A 621 1.043 2.305 7.349 1.00 40.41 C ATOM 914 O ASP A 621 -0.185 2.291 7.438 1.00 10.33 O ATOM 915 CB ASP A 621 2.564 3.221 9.110 1.00 22.51 C ATOM 916 CG ASP A 621 1.588 4.064 9.906 1.00 63.25 C ATOM 917 OD1 ASP A 621 1.281 3.688 11.058 1.00 74.44 O ATOM 918 OD2 ASP A 621 1.132 5.100 9.380 1.00 40.51 O ATOM 0 H ASP A 621 3.889 1.366 8.131 1.00 42.43 H new ATOM 0 HA ASP A 621 1.290 1.506 9.317 1.00 5.24 H new ATOM 0 HB2 ASP A 621 3.404 2.945 9.747 1.00 22.51 H new ATOM 0 HB3 ASP A 621 2.967 3.815 8.290 1.00 22.51 H new ATOM 922 N LYS A 622 1.682 2.620 6.228 1.00 2.45 N ATOM 923 CA LYS A 622 0.962 2.974 5.009 1.00 4.30 C ATOM 924 C LYS A 622 -0.024 1.876 4.622 1.00 13.20 C ATOM 925 O LYS A 622 -1.167 2.157 4.260 1.00 45.13 O ATOM 926 CB LYS A 622 1.946 3.216 3.864 1.00 23.24 C ATOM 927 CG LYS A 622 1.511 4.314 2.908 1.00 44.45 C ATOM 928 CD LYS A 622 0.125 4.046 2.346 1.00 3.50 C ATOM 929 CE LYS A 622 -0.262 5.079 1.301 1.00 14.44 C ATOM 930 NZ LYS A 622 -1.729 5.339 1.292 1.00 4.32 N ATOM 0 H LYS A 622 2.698 2.638 6.137 1.00 2.45 H new ATOM 0 HA LYS A 622 0.403 3.890 5.200 1.00 4.30 H new ATOM 0 HB2 LYS A 622 2.919 3.474 4.281 1.00 23.24 H new ATOM 0 HB3 LYS A 622 2.075 2.289 3.305 1.00 23.24 H new ATOM 0 HG2 LYS A 622 1.515 5.273 3.427 1.00 44.45 H new ATOM 0 HG3 LYS A 622 2.228 4.391 2.090 1.00 44.45 H new ATOM 0 HD2 LYS A 622 0.097 3.051 1.903 1.00 3.50 H new ATOM 0 HD3 LYS A 622 -0.605 4.055 3.156 1.00 3.50 H new ATOM 0 HE2 LYS A 622 0.270 6.010 1.497 1.00 14.44 H new ATOM 0 HE3 LYS A 622 0.051 4.734 0.316 1.00 14.44 H new ATOM 0 HZ1 LYS A 622 -1.914 6.269 0.866 1.00 4.32 H new ATOM 0 HZ2 LYS A 622 -2.209 4.602 0.737 1.00 4.32 H new ATOM 0 HZ3 LYS A 622 -2.090 5.327 2.267 1.00 4.32 H new ATOM 940 N TRP A 623 0.424 0.629 4.702 1.00 42.54 N ATOM 941 CA TRP A 623 -0.421 -0.510 4.361 1.00 1.31 C ATOM 942 C TRP A 623 -1.553 -0.669 5.370 1.00 43.45 C ATOM 943 O TRP A 623 -2.714 -0.838 4.996 1.00 13.15 O ATOM 944 CB TRP A 623 0.412 -1.791 4.304 1.00 74.34 C ATOM 945 CG TRP A 623 -0.340 -3.010 4.745 1.00 53.43 C ATOM 946 CD1 TRP A 623 -1.494 -3.502 4.203 1.00 74.43 C ATOM 947 CD2 TRP A 623 0.006 -3.888 5.821 1.00 31.05 C ATOM 948 NE1 TRP A 623 -1.884 -4.633 4.877 1.00 70.03 N ATOM 949 CE2 TRP A 623 -0.980 -4.892 5.873 1.00 51.33 C ATOM 950 CE3 TRP A 623 1.056 -3.926 6.743 1.00 42.50 C ATOM 951 CZ2 TRP A 623 -0.948 -5.920 6.812 1.00 61.34 C ATOM 952 CZ3 TRP A 623 1.087 -4.947 7.675 1.00 12.41 C ATOM 953 CH2 TRP A 623 0.091 -5.932 7.703 1.00 42.40 C ATOM 0 H TRP A 623 1.367 0.380 5.000 1.00 42.54 H new ATOM 0 HA TRP A 623 -0.858 -0.326 3.379 1.00 1.31 H new ATOM 0 HB2 TRP A 623 0.766 -1.941 3.284 1.00 74.34 H new ATOM 0 HB3 TRP A 623 1.294 -1.670 4.933 1.00 74.34 H new ATOM 0 HD1 TRP A 623 -2.021 -3.066 3.368 1.00 74.43 H new ATOM 0 HE1 TRP A 623 -2.713 -5.190 4.670 1.00 70.03 H new ATOM 0 HE3 TRP A 623 1.829 -3.172 6.728 1.00 42.50 H new ATOM 0 HZ2 TRP A 623 -1.715 -6.680 6.836 1.00 61.34 H new ATOM 0 HZ3 TRP A 623 1.892 -4.986 8.393 1.00 12.41 H new ATOM 0 HH2 TRP A 623 0.144 -6.717 8.443 1.00 42.40 H new ATOM 963 N LYS A 624 -1.209 -0.615 6.652 1.00 62.22 N ATOM 964 CA LYS A 624 -2.196 -0.752 7.717 1.00 31.54 C ATOM 965 C LYS A 624 -3.303 0.288 7.570 1.00 22.12 C ATOM 966 O LYS A 624 -4.484 -0.053 7.507 1.00 51.32 O ATOM 967 CB LYS A 624 -1.525 -0.607 9.084 1.00 71.45 C ATOM 968 CG LYS A 624 -2.266 -1.317 10.204 1.00 53.10 C ATOM 969 CD LYS A 624 -2.158 -0.556 11.515 1.00 73.34 C ATOM 970 CE LYS A 624 -3.135 -1.089 12.551 1.00 71.12 C ATOM 971 NZ LYS A 624 -3.003 -2.561 12.733 1.00 63.20 N ATOM 0 H LYS A 624 -0.253 -0.477 6.979 1.00 62.22 H new ATOM 0 HA LYS A 624 -2.641 -1.744 7.640 1.00 31.54 H new ATOM 0 HB2 LYS A 624 -0.510 -1.000 9.025 1.00 71.45 H new ATOM 0 HB3 LYS A 624 -1.443 0.452 9.328 1.00 71.45 H new ATOM 0 HG2 LYS A 624 -3.316 -1.429 9.933 1.00 53.10 H new ATOM 0 HG3 LYS A 624 -1.860 -2.321 10.331 1.00 53.10 H new ATOM 0 HD2 LYS A 624 -1.141 -0.633 11.899 1.00 73.34 H new ATOM 0 HD3 LYS A 624 -2.353 0.502 11.340 1.00 73.34 H new ATOM 0 HE2 LYS A 624 -2.963 -0.588 13.504 1.00 71.12 H new ATOM 0 HE3 LYS A 624 -4.154 -0.851 12.246 1.00 71.12 H new ATOM 0 HZ1 LYS A 624 -3.559 -2.860 13.559 1.00 63.20 H new ATOM 0 HZ2 LYS A 624 -3.354 -3.049 11.884 1.00 63.20 H new ATOM 0 HZ3 LYS A 624 -2.003 -2.804 12.883 1.00 63.20 H new ATOM 981 N THR A 625 -2.912 1.557 7.513 1.00 41.20 N ATOM 982 CA THR A 625 -3.871 2.646 7.372 1.00 71.41 C ATOM 983 C THR A 625 -4.666 2.515 6.079 1.00 34.24 C ATOM 984 O THR A 625 -5.826 2.923 6.006 1.00 25.40 O ATOM 985 CB THR A 625 -3.171 4.017 7.395 1.00 61.51 C ATOM 986 OG1 THR A 625 -4.143 5.063 7.511 1.00 44.21 O ATOM 987 CG2 THR A 625 -2.345 4.225 6.134 1.00 40.21 C ATOM 0 H THR A 625 -1.938 1.856 7.562 1.00 41.20 H new ATOM 0 HA THR A 625 -4.551 2.580 8.221 1.00 71.41 H new ATOM 0 HB THR A 625 -2.504 4.044 8.257 1.00 61.51 H new ATOM 0 HG1 THR A 625 -3.689 5.931 7.526 1.00 44.21 H new ATOM 0 HG21 THR A 625 -1.860 5.200 6.173 1.00 40.21 H new ATOM 0 HG22 THR A 625 -1.587 3.445 6.063 1.00 40.21 H new ATOM 0 HG23 THR A 625 -2.996 4.178 5.261 1.00 40.21 H new ATOM 995 N LEU A 626 -4.035 1.944 5.057 1.00 43.34 N ATOM 996 CA LEU A 626 -4.685 1.759 3.765 1.00 10.14 C ATOM 997 C LEU A 626 -5.857 0.790 3.878 1.00 54.41 C ATOM 998 O LEU A 626 -6.951 1.063 3.382 1.00 11.24 O ATOM 999 CB LEU A 626 -3.678 1.239 2.736 1.00 30.10 C ATOM 1000 CG LEU A 626 -3.218 2.244 1.680 1.00 74.20 C ATOM 1001 CD1 LEU A 626 -2.108 1.652 0.826 1.00 41.05 C ATOM 1002 CD2 LEU A 626 -4.389 2.677 0.809 1.00 41.23 C ATOM 0 H LEU A 626 -3.075 1.602 5.099 1.00 43.34 H new ATOM 0 HA LEU A 626 -5.067 2.726 3.437 1.00 10.14 H new ATOM 0 HB2 LEU A 626 -2.800 0.875 3.269 1.00 30.10 H new ATOM 0 HB3 LEU A 626 -4.119 0.383 2.226 1.00 30.10 H new ATOM 0 HG LEU A 626 -2.826 3.123 2.191 1.00 74.20 H new ATOM 0 HD11 LEU A 626 -1.794 2.382 0.080 1.00 41.05 H new ATOM 0 HD12 LEU A 626 -1.260 1.393 1.460 1.00 41.05 H new ATOM 0 HD13 LEU A 626 -2.473 0.756 0.325 1.00 41.05 H new ATOM 0 HD21 LEU A 626 -4.043 3.392 0.063 1.00 41.23 H new ATOM 0 HD22 LEU A 626 -4.811 1.806 0.308 1.00 41.23 H new ATOM 0 HD23 LEU A 626 -5.153 3.143 1.432 1.00 41.23 H new ATOM 1013 N VAL A 627 -5.624 -0.339 4.537 1.00 3.45 N ATOM 1014 CA VAL A 627 -6.663 -1.347 4.719 1.00 51.11 C ATOM 1015 C VAL A 627 -7.869 -0.768 5.449 1.00 55.13 C ATOM 1016 O VAL A 627 -8.997 -0.838 4.960 1.00 50.50 O ATOM 1017 CB VAL A 627 -6.135 -2.562 5.507 1.00 34.32 C ATOM 1018 CG1 VAL A 627 -7.249 -3.569 5.744 1.00 24.13 C ATOM 1019 CG2 VAL A 627 -4.968 -3.205 4.773 1.00 52.42 C ATOM 0 H VAL A 627 -4.725 -0.580 4.954 1.00 3.45 H new ATOM 0 HA VAL A 627 -6.966 -1.672 3.724 1.00 51.11 H new ATOM 0 HB VAL A 627 -5.778 -2.218 6.478 1.00 34.32 H new ATOM 0 HG11 VAL A 627 -6.858 -4.420 6.302 1.00 24.13 H new ATOM 0 HG12 VAL A 627 -8.050 -3.098 6.315 1.00 24.13 H new ATOM 0 HG13 VAL A 627 -7.640 -3.912 4.786 1.00 24.13 H new ATOM 0 HG21 VAL A 627 -4.607 -4.061 5.343 1.00 52.42 H new ATOM 0 HG22 VAL A 627 -5.296 -3.537 3.788 1.00 52.42 H new ATOM 0 HG23 VAL A 627 -4.163 -2.478 4.662 1.00 52.42 H new ATOM 1029 N HIS A 628 -7.623 -0.193 6.622 1.00 52.43 N ATOM 1030 CA HIS A 628 -8.690 0.401 7.421 1.00 50.30 C ATOM 1031 C HIS A 628 -9.499 1.396 6.593 1.00 40.40 C ATOM 1032 O HIS A 628 -10.708 1.539 6.781 1.00 62.20 O ATOM 1033 CB HIS A 628 -8.109 1.099 8.650 1.00 62.50 C ATOM 1034 CG HIS A 628 -7.687 0.152 9.732 1.00 33.22 C ATOM 1035 ND1 HIS A 628 -6.727 -0.820 9.549 1.00 64.24 N ATOM 1036 CD2 HIS A 628 -8.100 0.035 11.016 1.00 45.21 C ATOM 1037 CE1 HIS A 628 -6.569 -1.496 10.673 1.00 23.22 C ATOM 1038 NE2 HIS A 628 -7.390 -0.997 11.579 1.00 70.13 N ATOM 0 H HIS A 628 -6.695 -0.126 7.040 1.00 52.43 H new ATOM 0 HA HIS A 628 -9.354 -0.400 7.747 1.00 50.30 H new ATOM 0 HB2 HIS A 628 -7.250 1.697 8.346 1.00 62.50 H new ATOM 0 HB3 HIS A 628 -8.852 1.789 9.051 1.00 62.50 H new ATOM 0 HD2 HIS A 628 -8.848 0.640 11.506 1.00 45.21 H new ATOM 0 HE1 HIS A 628 -5.884 -2.317 10.825 1.00 23.22 H new ATOM 0 HE2 HIS A 628 -7.482 -1.325 12.541 1.00 70.13 H new ATOM 1045 N THR A 629 -8.824 2.082 5.676 1.00 53.21 N ATOM 1046 CA THR A 629 -9.479 3.063 4.820 1.00 71.21 C ATOM 1047 C THR A 629 -10.221 2.387 3.674 1.00 42.44 C ATOM 1048 O THR A 629 -11.221 2.905 3.177 1.00 71.34 O ATOM 1049 CB THR A 629 -8.465 4.067 4.238 1.00 4.13 C ATOM 1050 OG1 THR A 629 -8.895 5.407 4.500 1.00 43.03 O ATOM 1051 CG2 THR A 629 -8.303 3.864 2.739 1.00 55.20 C ATOM 0 H THR A 629 -7.824 1.976 5.507 1.00 53.21 H new ATOM 0 HA THR A 629 -10.193 3.599 5.445 1.00 71.21 H new ATOM 0 HB THR A 629 -7.502 3.896 4.718 1.00 4.13 H new ATOM 0 HG1 THR A 629 -8.244 6.038 4.128 1.00 43.03 H new ATOM 0 HG21 THR A 629 -7.583 4.584 2.350 1.00 55.20 H new ATOM 0 HG22 THR A 629 -7.946 2.852 2.545 1.00 55.20 H new ATOM 0 HG23 THR A 629 -9.264 4.010 2.246 1.00 55.20 H new ATOM 1059 N ALA A 630 -9.728 1.225 3.261 1.00 1.45 N ATOM 1060 CA ALA A 630 -10.347 0.475 2.174 1.00 44.30 C ATOM 1061 C ALA A 630 -11.840 0.282 2.422 1.00 33.14 C ATOM 1062 O ALA A 630 -12.663 0.547 1.546 1.00 73.41 O ATOM 1063 CB ALA A 630 -9.661 -0.872 2.004 1.00 21.21 C ATOM 0 H ALA A 630 -8.902 0.782 3.662 1.00 1.45 H new ATOM 0 HA ALA A 630 -10.228 1.049 1.255 1.00 44.30 H new ATOM 0 HB1 ALA A 630 -10.134 -1.421 1.189 1.00 21.21 H new ATOM 0 HB2 ALA A 630 -8.607 -0.717 1.774 1.00 21.21 H new ATOM 0 HB3 ALA A 630 -9.750 -1.445 2.927 1.00 21.21 H new ATOM 1069 N SER A 631 -12.182 -0.182 3.620 1.00 22.34 N ATOM 1070 CA SER A 631 -13.575 -0.414 3.981 1.00 1.15 C ATOM 1071 C SER A 631 -13.678 -1.090 5.345 1.00 32.43 C ATOM 1072 O SER A 631 -14.096 -2.242 5.449 1.00 1.22 O ATOM 1073 CB SER A 631 -14.262 -1.277 2.919 1.00 31.50 C ATOM 1074 OG SER A 631 -15.509 -1.763 3.386 1.00 23.34 O ATOM 0 H SER A 631 -11.513 -0.405 4.357 1.00 22.34 H new ATOM 0 HA SER A 631 -14.076 0.552 4.035 1.00 1.15 H new ATOM 0 HB2 SER A 631 -14.413 -0.692 2.012 1.00 31.50 H new ATOM 0 HB3 SER A 631 -13.617 -2.115 2.654 1.00 31.50 H new ATOM 0 HG SER A 631 -15.377 -2.244 4.229 1.00 23.34 H new ATOM 1079 N ILE A 632 -13.293 -0.362 6.388 1.00 31.42 N ATOM 1080 CA ILE A 632 -13.342 -0.889 7.746 1.00 70.11 C ATOM 1081 C ILE A 632 -13.927 0.135 8.712 1.00 10.12 C ATOM 1082 O ILE A 632 -15.071 0.009 9.148 1.00 45.12 O ATOM 1083 CB ILE A 632 -11.943 -1.303 8.240 1.00 30.42 C ATOM 1084 CG1 ILE A 632 -11.499 -2.599 7.558 1.00 1.44 C ATOM 1085 CG2 ILE A 632 -11.943 -1.468 9.752 1.00 51.04 C ATOM 1086 CD1 ILE A 632 -11.048 -2.405 6.127 1.00 41.23 C ATOM 0 H ILE A 632 -12.944 0.594 6.318 1.00 31.42 H new ATOM 0 HA ILE A 632 -13.985 -1.769 7.720 1.00 70.11 H new ATOM 0 HB ILE A 632 -11.235 -0.516 7.979 1.00 30.42 H new ATOM 0 HG12 ILE A 632 -10.683 -3.040 8.131 1.00 1.44 H new ATOM 0 HG13 ILE A 632 -12.324 -3.311 7.577 1.00 1.44 H new ATOM 0 HG21 ILE A 632 -10.948 -1.761 10.086 1.00 51.04 H new ATOM 0 HG22 ILE A 632 -12.220 -0.524 10.221 1.00 51.04 H new ATOM 0 HG23 ILE A 632 -12.661 -2.238 10.034 1.00 51.04 H new ATOM 0 HD11 ILE A 632 -10.748 -3.365 5.707 1.00 41.23 H new ATOM 0 HD12 ILE A 632 -11.868 -1.992 5.540 1.00 41.23 H new ATOM 0 HD13 ILE A 632 -10.202 -1.718 6.102 1.00 41.23 H new ATOM 1097 N ALA A 633 -13.136 1.151 9.041 1.00 30.04 N ATOM 1098 CA ALA A 633 -13.577 2.200 9.952 1.00 3.24 C ATOM 1099 C ALA A 633 -13.946 3.468 9.192 1.00 21.23 C ATOM 1100 O ALA A 633 -13.324 3.823 8.190 1.00 33.13 O ATOM 1101 CB ALA A 633 -12.495 2.494 10.981 1.00 41.53 C ATOM 0 H ALA A 633 -12.186 1.270 8.690 1.00 30.04 H new ATOM 0 HA ALA A 633 -14.469 1.847 10.470 1.00 3.24 H new ATOM 0 HB1 ALA A 633 -12.838 3.279 11.655 1.00 41.53 H new ATOM 0 HB2 ALA A 633 -12.283 1.591 11.554 1.00 41.53 H new ATOM 0 HB3 ALA A 633 -11.589 2.822 10.472 1.00 41.53 H new ATOM 1210 N PRO A 641 -8.589 12.074 -1.452 1.00 42.20 N ATOM 1211 CA PRO A 641 -9.193 11.140 -2.407 1.00 50.32 C ATOM 1212 C PRO A 641 -8.316 9.919 -2.660 1.00 63.05 C ATOM 1213 O PRO A 641 -7.159 10.046 -3.060 1.00 61.41 O ATOM 1214 CB PRO A 641 -9.327 11.975 -3.683 1.00 71.44 C ATOM 1215 CG PRO A 641 -8.273 13.022 -3.562 1.00 22.04 C ATOM 1216 CD PRO A 641 -8.156 13.326 -2.094 1.00 12.33 C ATOM 0 HA PRO A 641 -10.138 10.739 -2.041 1.00 50.32 H new ATOM 0 HB2 PRO A 641 -9.178 11.364 -4.573 1.00 71.44 H new ATOM 0 HB3 PRO A 641 -10.319 12.419 -3.763 1.00 71.44 H new ATOM 0 HG2 PRO A 641 -7.324 12.668 -3.964 1.00 22.04 H new ATOM 0 HG3 PRO A 641 -8.544 13.915 -4.125 1.00 22.04 H new ATOM 0 HD2 PRO A 641 -7.134 13.587 -1.818 1.00 12.33 H new ATOM 0 HD3 PRO A 641 -8.789 14.165 -1.806 1.00 12.33 H new ATOM 1221 N VAL A 642 -8.874 8.736 -2.422 1.00 70.42 N ATOM 1222 CA VAL A 642 -8.143 7.492 -2.625 1.00 65.13 C ATOM 1223 C VAL A 642 -8.759 6.668 -3.751 1.00 73.13 C ATOM 1224 O VAL A 642 -9.979 6.575 -3.887 1.00 0.42 O ATOM 1225 CB VAL A 642 -8.112 6.642 -1.340 1.00 52.12 C ATOM 1226 CG1 VAL A 642 -7.701 7.493 -0.148 1.00 41.43 C ATOM 1227 CG2 VAL A 642 -9.466 5.992 -1.100 1.00 24.51 C ATOM 0 H VAL A 642 -9.830 8.614 -2.088 1.00 70.42 H new ATOM 0 HA VAL A 642 -7.123 7.766 -2.896 1.00 65.13 H new ATOM 0 HB VAL A 642 -7.372 5.852 -1.464 1.00 52.12 H new ATOM 0 HG11 VAL A 642 -7.684 6.877 0.751 1.00 41.43 H new ATOM 0 HG12 VAL A 642 -6.708 7.908 -0.322 1.00 41.43 H new ATOM 0 HG13 VAL A 642 -8.416 8.306 -0.017 1.00 41.43 H new ATOM 0 HG21 VAL A 642 -9.427 5.395 -0.189 1.00 24.51 H new ATOM 0 HG22 VAL A 642 -10.227 6.765 -0.995 1.00 24.51 H new ATOM 0 HG23 VAL A 642 -9.716 5.349 -1.944 1.00 24.51 H new ATOM 1237 N PRO A 643 -7.898 6.057 -4.577 1.00 63.13 N ATOM 1238 CA PRO A 643 -8.335 5.230 -5.706 1.00 62.52 C ATOM 1239 C PRO A 643 -8.979 3.924 -5.252 1.00 24.51 C ATOM 1240 O PRO A 643 -8.405 3.186 -4.453 1.00 44.42 O ATOM 1241 CB PRO A 643 -7.035 4.950 -6.465 1.00 50.13 C ATOM 1242 CG PRO A 643 -5.963 5.071 -5.438 1.00 75.11 C ATOM 1243 CD PRO A 643 -6.430 6.126 -4.474 1.00 40.32 C ATOM 0 HA PRO A 643 -9.096 5.729 -6.306 1.00 62.52 H new ATOM 0 HB2 PRO A 643 -7.044 3.956 -6.912 1.00 50.13 H new ATOM 0 HB3 PRO A 643 -6.889 5.663 -7.276 1.00 50.13 H new ATOM 0 HG2 PRO A 643 -5.802 4.121 -4.929 1.00 75.11 H new ATOM 0 HG3 PRO A 643 -5.015 5.353 -5.895 1.00 75.11 H new ATOM 0 HD2 PRO A 643 -6.088 5.922 -3.459 1.00 40.32 H new ATOM 0 HD3 PRO A 643 -6.054 7.113 -4.745 1.00 40.32 H new ATOM 1248 N GLN A 644 -10.171 3.647 -5.768 1.00 54.24 N ATOM 1249 CA GLN A 644 -10.892 2.430 -5.414 1.00 32.13 C ATOM 1250 C GLN A 644 -10.158 1.195 -5.927 1.00 52.31 C ATOM 1251 O GLN A 644 -10.405 0.079 -5.467 1.00 34.24 O ATOM 1252 CB GLN A 644 -12.310 2.467 -5.986 1.00 53.04 C ATOM 1253 CG GLN A 644 -13.155 1.264 -5.599 1.00 22.14 C ATOM 1254 CD GLN A 644 -14.617 1.436 -5.958 1.00 54.21 C ATOM 1255 OE1 GLN A 644 -15.042 1.095 -7.062 1.00 74.20 O ATOM 1256 NE2 GLN A 644 -15.397 1.969 -5.025 1.00 64.43 N ATOM 0 H GLN A 644 -10.658 4.248 -6.432 1.00 54.24 H new ATOM 0 HA GLN A 644 -10.947 2.374 -4.327 1.00 32.13 H new ATOM 0 HB2 GLN A 644 -12.807 3.375 -5.644 1.00 53.04 H new ATOM 0 HB3 GLN A 644 -12.253 2.526 -7.073 1.00 53.04 H new ATOM 0 HG2 GLN A 644 -12.765 0.376 -6.097 1.00 22.14 H new ATOM 0 HG3 GLN A 644 -13.066 1.093 -4.526 1.00 22.14 H new ATOM 0 HE21 GLN A 644 -15.003 2.237 -4.123 1.00 64.43 H new ATOM 0 HE22 GLN A 644 -16.390 2.110 -5.210 1.00 64.43 H new ATOM 1263 N ASP A 645 -9.255 1.402 -6.879 1.00 41.10 N ATOM 1264 CA ASP A 645 -8.485 0.305 -7.453 1.00 24.25 C ATOM 1265 C ASP A 645 -7.501 -0.260 -6.433 1.00 72.42 C ATOM 1266 O ASP A 645 -7.308 -1.473 -6.347 1.00 2.31 O ATOM 1267 CB ASP A 645 -7.733 0.779 -8.698 1.00 31.52 C ATOM 1268 CG ASP A 645 -7.230 -0.374 -9.545 1.00 62.14 C ATOM 1269 OD1 ASP A 645 -8.064 -1.044 -10.189 1.00 61.42 O ATOM 1270 OD2 ASP A 645 -6.002 -0.607 -9.562 1.00 14.42 O ATOM 0 H ASP A 645 -9.038 2.319 -7.269 1.00 41.10 H new ATOM 0 HA ASP A 645 -9.180 -0.485 -7.737 1.00 24.25 H new ATOM 0 HB2 ASP A 645 -8.391 1.407 -9.299 1.00 31.52 H new ATOM 0 HB3 ASP A 645 -6.889 1.399 -8.395 1.00 31.52 H new ATOM 1274 N LEU A 646 -6.880 0.627 -5.664 1.00 44.02 N ATOM 1275 CA LEU A 646 -5.915 0.217 -4.649 1.00 31.34 C ATOM 1276 C LEU A 646 -6.618 -0.417 -3.454 1.00 24.43 C ATOM 1277 O LEU A 646 -6.294 -1.536 -3.053 1.00 63.55 O ATOM 1278 CB LEU A 646 -5.086 1.419 -4.191 1.00 2.50 C ATOM 1279 CG LEU A 646 -4.254 2.112 -5.270 1.00 75.12 C ATOM 1280 CD1 LEU A 646 -3.334 3.152 -4.648 1.00 24.53 C ATOM 1281 CD2 LEU A 646 -3.450 1.091 -6.061 1.00 20.14 C ATOM 0 H LEU A 646 -7.027 1.635 -5.724 1.00 44.02 H new ATOM 0 HA LEU A 646 -5.252 -0.526 -5.092 1.00 31.34 H new ATOM 0 HB2 LEU A 646 -5.761 2.154 -3.753 1.00 2.50 H new ATOM 0 HB3 LEU A 646 -4.414 1.090 -3.398 1.00 2.50 H new ATOM 0 HG LEU A 646 -4.933 2.620 -5.955 1.00 75.12 H new ATOM 0 HD11 LEU A 646 -2.749 3.635 -5.431 1.00 24.53 H new ATOM 0 HD12 LEU A 646 -3.931 3.900 -4.126 1.00 24.53 H new ATOM 0 HD13 LEU A 646 -2.662 2.667 -3.940 1.00 24.53 H new ATOM 0 HD21 LEU A 646 -2.864 1.602 -6.825 1.00 20.14 H new ATOM 0 HD22 LEU A 646 -2.781 0.555 -5.388 1.00 20.14 H new ATOM 0 HD23 LEU A 646 -4.129 0.384 -6.538 1.00 20.14 H new ATOM 1292 N LEU A 647 -7.581 0.302 -2.890 1.00 12.15 N ATOM 1293 CA LEU A 647 -8.332 -0.191 -1.741 1.00 21.04 C ATOM 1294 C LEU A 647 -8.920 -1.569 -2.027 1.00 3.41 C ATOM 1295 O LEU A 647 -9.050 -2.398 -1.126 1.00 4.34 O ATOM 1296 CB LEU A 647 -9.450 0.788 -1.379 1.00 50.11 C ATOM 1297 CG LEU A 647 -9.003 2.179 -0.928 1.00 13.22 C ATOM 1298 CD1 LEU A 647 -10.187 2.975 -0.401 1.00 63.11 C ATOM 1299 CD2 LEU A 647 -7.915 2.073 0.130 1.00 73.31 C ATOM 0 H LEU A 647 -7.861 1.229 -3.210 1.00 12.15 H new ATOM 0 HA LEU A 647 -7.646 -0.276 -0.898 1.00 21.04 H new ATOM 0 HB2 LEU A 647 -10.102 0.901 -2.245 1.00 50.11 H new ATOM 0 HB3 LEU A 647 -10.050 0.345 -0.584 1.00 50.11 H new ATOM 0 HG LEU A 647 -8.593 2.705 -1.790 1.00 13.22 H new ATOM 0 HD11 LEU A 647 -9.850 3.962 -0.085 1.00 63.11 H new ATOM 0 HD12 LEU A 647 -10.933 3.081 -1.188 1.00 63.11 H new ATOM 0 HD13 LEU A 647 -10.628 2.453 0.448 1.00 63.11 H new ATOM 0 HD21 LEU A 647 -7.609 3.073 0.439 1.00 73.31 H new ATOM 0 HD22 LEU A 647 -8.298 1.528 0.993 1.00 73.31 H new ATOM 0 HD23 LEU A 647 -7.057 1.542 -0.282 1.00 73.31 H new ATOM 1310 N ASP A 648 -9.273 -1.807 -3.285 1.00 5.14 N ATOM 1311 CA ASP A 648 -9.844 -3.087 -3.691 1.00 52.05 C ATOM 1312 C ASP A 648 -8.794 -4.192 -3.639 1.00 2.10 C ATOM 1313 O ASP A 648 -9.045 -5.276 -3.112 1.00 63.31 O ATOM 1314 CB ASP A 648 -10.427 -2.985 -5.101 1.00 41.13 C ATOM 1315 CG ASP A 648 -10.687 -4.345 -5.719 1.00 44.32 C ATOM 1316 OD1 ASP A 648 -11.470 -5.123 -5.134 1.00 44.41 O ATOM 1317 OD2 ASP A 648 -10.109 -4.631 -6.787 1.00 32.14 O ATOM 0 H ASP A 648 -9.174 -1.131 -4.042 1.00 5.14 H new ATOM 0 HA ASP A 648 -10.643 -3.338 -2.993 1.00 52.05 H new ATOM 0 HB2 ASP A 648 -11.359 -2.421 -5.066 1.00 41.13 H new ATOM 0 HB3 ASP A 648 -9.740 -2.426 -5.736 1.00 41.13 H new ATOM 1321 N ARG A 649 -7.618 -3.910 -4.190 1.00 41.04 N ATOM 1322 CA ARG A 649 -6.531 -4.881 -4.209 1.00 63.50 C ATOM 1323 C ARG A 649 -6.039 -5.173 -2.794 1.00 24.33 C ATOM 1324 O ARG A 649 -5.750 -6.320 -2.451 1.00 63.44 O ATOM 1325 CB ARG A 649 -5.373 -4.365 -5.066 1.00 24.20 C ATOM 1326 CG ARG A 649 -5.694 -4.308 -6.551 1.00 14.10 C ATOM 1327 CD ARG A 649 -5.973 -5.692 -7.115 1.00 42.53 C ATOM 1328 NE ARG A 649 -5.591 -5.798 -8.521 1.00 63.05 N ATOM 1329 CZ ARG A 649 -5.817 -6.875 -9.264 1.00 4.12 C ATOM 1330 NH1 ARG A 649 -6.420 -7.933 -8.739 1.00 63.24 N ATOM 1331 NH2 ARG A 649 -5.439 -6.896 -10.536 1.00 62.33 N ATOM 0 H ARG A 649 -7.394 -3.017 -4.629 1.00 41.04 H new ATOM 0 HA ARG A 649 -6.911 -5.806 -4.642 1.00 63.50 H new ATOM 0 HB2 ARG A 649 -5.095 -3.368 -4.724 1.00 24.20 H new ATOM 0 HB3 ARG A 649 -4.505 -5.007 -4.915 1.00 24.20 H new ATOM 0 HG2 ARG A 649 -6.561 -3.667 -6.712 1.00 14.10 H new ATOM 0 HG3 ARG A 649 -4.859 -3.857 -7.088 1.00 14.10 H new ATOM 0 HD2 ARG A 649 -5.428 -6.436 -6.534 1.00 42.53 H new ATOM 0 HD3 ARG A 649 -7.034 -5.919 -7.010 1.00 42.53 H new ATOM 0 HE ARG A 649 -5.125 -5.001 -8.956 1.00 63.05 H new ATOM 0 HH11 ARG A 649 -6.712 -7.921 -7.762 1.00 63.24 H new ATOM 0 HH12 ARG A 649 -6.592 -8.759 -9.313 1.00 63.24 H new ATOM 0 HH21 ARG A 649 -4.975 -6.084 -10.943 1.00 62.33 H new ATOM 0 HH22 ARG A 649 -5.613 -7.724 -11.106 1.00 62.33 H new ATOM 1342 N VAL A 650 -5.945 -4.128 -1.978 1.00 64.32 N ATOM 1343 CA VAL A 650 -5.488 -4.273 -0.601 1.00 60.53 C ATOM 1344 C VAL A 650 -6.364 -5.255 0.168 1.00 2.11 C ATOM 1345 O VAL A 650 -5.861 -6.155 0.843 1.00 50.44 O ATOM 1346 CB VAL A 650 -5.486 -2.919 0.135 1.00 5.44 C ATOM 1347 CG1 VAL A 650 -5.204 -3.117 1.617 1.00 3.43 C ATOM 1348 CG2 VAL A 650 -4.468 -1.977 -0.488 1.00 71.30 C ATOM 0 H VAL A 650 -6.179 -3.172 -2.246 1.00 64.32 H new ATOM 0 HA VAL A 650 -4.469 -4.657 -0.644 1.00 60.53 H new ATOM 0 HB VAL A 650 -6.474 -2.469 0.035 1.00 5.44 H new ATOM 0 HG11 VAL A 650 -5.207 -2.150 2.120 1.00 3.43 H new ATOM 0 HG12 VAL A 650 -5.974 -3.754 2.052 1.00 3.43 H new ATOM 0 HG13 VAL A 650 -4.229 -3.589 1.742 1.00 3.43 H new ATOM 0 HG21 VAL A 650 -4.480 -1.026 0.044 1.00 71.30 H new ATOM 0 HG22 VAL A 650 -3.474 -2.419 -0.420 1.00 71.30 H new ATOM 0 HG23 VAL A 650 -4.720 -1.810 -1.535 1.00 71.30 H new ATOM 1358 N LEU A 651 -7.676 -5.078 0.062 1.00 11.11 N ATOM 1359 CA LEU A 651 -8.624 -5.950 0.747 1.00 25.14 C ATOM 1360 C LEU A 651 -8.556 -7.370 0.194 1.00 71.21 C ATOM 1361 O LEU A 651 -8.831 -8.337 0.904 1.00 14.52 O ATOM 1362 CB LEU A 651 -10.045 -5.403 0.606 1.00 34.24 C ATOM 1363 CG LEU A 651 -10.438 -4.294 1.582 1.00 61.42 C ATOM 1364 CD1 LEU A 651 -11.830 -3.770 1.265 1.00 4.13 C ATOM 1365 CD2 LEU A 651 -10.370 -4.799 3.016 1.00 72.13 C ATOM 0 H LEU A 651 -8.108 -4.338 -0.492 1.00 11.11 H new ATOM 0 HA LEU A 651 -8.356 -5.978 1.803 1.00 25.14 H new ATOM 0 HB2 LEU A 651 -10.169 -5.026 -0.409 1.00 34.24 H new ATOM 0 HB3 LEU A 651 -10.745 -6.230 0.726 1.00 34.24 H new ATOM 0 HG LEU A 651 -9.730 -3.472 1.472 1.00 61.42 H new ATOM 0 HD11 LEU A 651 -12.091 -2.981 1.971 1.00 4.13 H new ATOM 0 HD12 LEU A 651 -11.846 -3.370 0.251 1.00 4.13 H new ATOM 0 HD13 LEU A 651 -12.552 -4.583 1.346 1.00 4.13 H new ATOM 0 HD21 LEU A 651 -10.653 -3.997 3.698 1.00 72.13 H new ATOM 0 HD22 LEU A 651 -11.055 -5.638 3.139 1.00 72.13 H new ATOM 0 HD23 LEU A 651 -9.354 -5.124 3.240 1.00 72.13 H new ATOM 1376 N ALA A 652 -8.186 -7.486 -1.077 1.00 4.31 N ATOM 1377 CA ALA A 652 -8.078 -8.789 -1.724 1.00 33.22 C ATOM 1378 C ALA A 652 -6.932 -9.602 -1.133 1.00 40.41 C ATOM 1379 O ALA A 652 -7.103 -10.770 -0.784 1.00 20.23 O ATOM 1380 CB ALA A 652 -7.886 -8.618 -3.224 1.00 13.53 C ATOM 0 H ALA A 652 -7.956 -6.695 -1.679 1.00 4.31 H new ATOM 0 HA ALA A 652 -9.005 -9.334 -1.546 1.00 33.22 H new ATOM 0 HB1 ALA A 652 -7.807 -9.598 -3.695 1.00 13.53 H new ATOM 0 HB2 ALA A 652 -8.739 -8.083 -3.641 1.00 13.53 H new ATOM 0 HB3 ALA A 652 -6.974 -8.051 -3.412 1.00 13.53 H new ATOM 1386 N ALA A 653 -5.765 -8.978 -1.022 1.00 32.34 N ATOM 1387 CA ALA A 653 -4.591 -9.645 -0.471 1.00 60.43 C ATOM 1388 C ALA A 653 -4.715 -9.814 1.040 1.00 31.25 C ATOM 1389 O ALA A 653 -4.423 -10.882 1.580 1.00 55.03 O ATOM 1390 CB ALA A 653 -3.331 -8.864 -0.815 1.00 22.23 C ATOM 0 H ALA A 653 -5.606 -8.011 -1.306 1.00 32.34 H new ATOM 0 HA ALA A 653 -4.524 -10.637 -0.917 1.00 60.43 H new ATOM 0 HB1 ALA A 653 -2.462 -9.373 -0.398 1.00 22.23 H new ATOM 0 HB2 ALA A 653 -3.228 -8.799 -1.898 1.00 22.23 H new ATOM 0 HB3 ALA A 653 -3.399 -7.860 -0.396 1.00 22.23 H new ATOM 1396 N HIS A 654 -5.148 -8.756 1.716 1.00 73.42 N ATOM 1397 CA HIS A 654 -5.311 -8.788 3.165 1.00 63.23 C ATOM 1398 C HIS A 654 -6.177 -9.970 3.588 1.00 41.43 C ATOM 1399 O HIS A 654 -5.829 -10.710 4.508 1.00 71.33 O ATOM 1400 CB HIS A 654 -5.933 -7.482 3.659 1.00 61.43 C ATOM 1401 CG HIS A 654 -6.267 -7.492 5.119 1.00 10.32 C ATOM 1402 ND1 HIS A 654 -5.379 -7.101 6.098 1.00 43.31 N ATOM 1403 CD2 HIS A 654 -7.403 -7.849 5.764 1.00 32.44 C ATOM 1404 CE1 HIS A 654 -5.953 -7.219 7.283 1.00 32.02 C ATOM 1405 NE2 HIS A 654 -7.181 -7.669 7.108 1.00 11.43 N ATOM 0 H HIS A 654 -5.393 -7.865 1.284 1.00 73.42 H new ATOM 0 HA HIS A 654 -4.325 -8.904 3.614 1.00 63.23 H new ATOM 0 HB2 HIS A 654 -5.244 -6.662 3.458 1.00 61.43 H new ATOM 0 HB3 HIS A 654 -6.840 -7.283 3.089 1.00 61.43 H new ATOM 0 HD2 HIS A 654 -8.313 -8.208 5.307 1.00 32.44 H new ATOM 0 HE1 HIS A 654 -5.495 -6.987 8.233 1.00 32.02 H new ATOM 0 HE2 HIS A 654 -7.856 -7.853 7.850 1.00 11.43 H new ATOM 1412 N ALA A 655 -7.308 -10.141 2.911 1.00 2.24 N ATOM 1413 CA ALA A 655 -8.223 -11.234 3.217 1.00 34.35 C ATOM 1414 C ALA A 655 -7.630 -12.578 2.808 1.00 32.33 C ATOM 1415 O ALA A 655 -7.686 -13.548 3.563 1.00 53.23 O ATOM 1416 CB ALA A 655 -9.559 -11.012 2.522 1.00 43.33 C ATOM 0 H ALA A 655 -7.612 -9.537 2.148 1.00 2.24 H new ATOM 0 HA ALA A 655 -8.383 -11.250 4.295 1.00 34.35 H new ATOM 0 HB1 ALA A 655 -10.233 -11.835 2.758 1.00 43.33 H new ATOM 0 HB2 ALA A 655 -9.996 -10.074 2.865 1.00 43.33 H new ATOM 0 HB3 ALA A 655 -9.405 -10.967 1.444 1.00 43.33 H new ATOM 1422 N TYR A 656 -7.061 -12.628 1.608 1.00 14.33 N ATOM 1423 CA TYR A 656 -6.460 -13.854 1.097 1.00 65.32 C ATOM 1424 C TYR A 656 -5.403 -14.385 2.062 1.00 0.11 C ATOM 1425 O TYR A 656 -5.411 -15.561 2.424 1.00 14.04 O ATOM 1426 CB TYR A 656 -5.836 -13.607 -0.277 1.00 64.24 C ATOM 1427 CG TYR A 656 -5.036 -14.780 -0.798 1.00 3.24 C ATOM 1428 CD1 TYR A 656 -5.668 -15.938 -1.233 1.00 1.11 C ATOM 1429 CD2 TYR A 656 -3.649 -14.730 -0.857 1.00 33.21 C ATOM 1430 CE1 TYR A 656 -4.943 -17.013 -1.709 1.00 31.32 C ATOM 1431 CE2 TYR A 656 -2.915 -15.799 -1.333 1.00 22.23 C ATOM 1432 CZ TYR A 656 -3.566 -16.937 -1.758 1.00 4.44 C ATOM 1433 OH TYR A 656 -2.840 -18.006 -2.233 1.00 22.41 O ATOM 0 H TYR A 656 -7.004 -11.833 0.971 1.00 14.33 H new ATOM 0 HA TYR A 656 -7.247 -14.602 1.001 1.00 65.32 H new ATOM 0 HB2 TYR A 656 -6.627 -13.372 -0.989 1.00 64.24 H new ATOM 0 HB3 TYR A 656 -5.188 -12.732 -0.221 1.00 64.24 H new ATOM 0 HD1 TYR A 656 -6.746 -15.999 -1.198 1.00 1.11 H new ATOM 0 HD2 TYR A 656 -3.136 -13.840 -0.525 1.00 33.21 H new ATOM 0 HE1 TYR A 656 -5.450 -17.907 -2.041 1.00 31.32 H new ATOM 0 HE2 TYR A 656 -1.837 -15.743 -1.372 1.00 22.23 H new ATOM 0 HH TYR A 656 -1.884 -17.792 -2.203 1.00 22.41 H new ATOM 1442 N TRP A 657 -4.495 -13.508 2.473 1.00 65.22 N ATOM 1443 CA TRP A 657 -3.430 -13.886 3.396 1.00 41.33 C ATOM 1444 C TRP A 657 -3.987 -14.152 4.791 1.00 34.15 C ATOM 1445 O TRP A 657 -3.528 -15.054 5.491 1.00 13.23 O ATOM 1446 CB TRP A 657 -2.367 -12.789 3.459 1.00 0.34 C ATOM 1447 CG TRP A 657 -1.656 -12.576 2.156 1.00 63.05 C ATOM 1448 CD1 TRP A 657 -1.595 -11.418 1.435 1.00 60.44 C ATOM 1449 CD2 TRP A 657 -0.907 -13.549 1.420 1.00 14.52 C ATOM 1450 NE1 TRP A 657 -0.853 -11.612 0.295 1.00 75.05 N ATOM 1451 CE2 TRP A 657 -0.419 -12.911 0.262 1.00 53.15 C ATOM 1452 CE3 TRP A 657 -0.601 -14.897 1.626 1.00 22.44 C ATOM 1453 CZ2 TRP A 657 0.357 -13.576 -0.683 1.00 32.10 C ATOM 1454 CZ3 TRP A 657 0.170 -15.555 0.686 1.00 13.34 C ATOM 1455 CH2 TRP A 657 0.643 -14.894 -0.456 1.00 44.51 C ATOM 0 H TRP A 657 -4.474 -12.531 2.182 1.00 65.22 H new ATOM 0 HA TRP A 657 -2.973 -14.804 3.026 1.00 41.33 H new ATOM 0 HB2 TRP A 657 -2.837 -11.854 3.765 1.00 0.34 H new ATOM 0 HB3 TRP A 657 -1.636 -13.045 4.226 1.00 0.34 H new ATOM 0 HD1 TRP A 657 -2.062 -10.486 1.719 1.00 60.44 H new ATOM 0 HE1 TRP A 657 -0.657 -10.904 -0.412 1.00 75.05 H new ATOM 0 HE3 TRP A 657 -0.960 -15.415 2.503 1.00 22.44 H new ATOM 0 HZ2 TRP A 657 0.721 -13.069 -1.565 1.00 32.10 H new ATOM 0 HZ3 TRP A 657 0.412 -16.597 0.834 1.00 13.34 H new ATOM 0 HH2 TRP A 657 1.245 -15.436 -1.170 1.00 44.51 H new ATOM 1465 N SER A 658 -4.979 -13.360 5.187 1.00 2.30 N ATOM 1466 CA SER A 658 -5.596 -13.507 6.500 1.00 41.43 C ATOM 1467 C SER A 658 -6.122 -14.926 6.697 1.00 4.23 C ATOM 1468 O SER A 658 -6.127 -15.449 7.811 1.00 71.45 O ATOM 1469 CB SER A 658 -6.736 -12.501 6.667 1.00 1.42 C ATOM 1470 OG SER A 658 -7.663 -12.938 7.645 1.00 62.43 O ATOM 0 H SER A 658 -5.372 -12.611 4.618 1.00 2.30 H new ATOM 0 HA SER A 658 -4.835 -13.312 7.256 1.00 41.43 H new ATOM 0 HB2 SER A 658 -6.330 -11.531 6.954 1.00 1.42 H new ATOM 0 HB3 SER A 658 -7.246 -12.363 5.714 1.00 1.42 H new ATOM 0 HG SER A 658 -8.381 -12.277 7.734 1.00 62.43 H new ATOM 1475 N GLN A 659 -6.565 -15.543 5.606 1.00 22.22 N ATOM 1476 CA GLN A 659 -7.093 -16.901 5.658 1.00 14.44 C ATOM 1477 C GLN A 659 -6.049 -17.872 6.197 1.00 72.33 C ATOM 1478 O GLN A 659 -6.386 -18.937 6.715 1.00 35.24 O ATOM 1479 CB GLN A 659 -7.551 -17.346 4.269 1.00 15.15 C ATOM 1480 CG GLN A 659 -8.501 -18.533 4.292 1.00 32.34 C ATOM 1481 CD GLN A 659 -9.202 -18.746 2.964 1.00 60.40 C ATOM 1482 OE1 GLN A 659 -8.912 -18.066 1.979 1.00 61.21 O ATOM 1483 NE2 GLN A 659 -10.132 -19.692 2.931 1.00 5.42 N ATOM 0 H GLN A 659 -6.569 -15.124 4.676 1.00 22.22 H new ATOM 0 HA GLN A 659 -7.948 -16.905 6.334 1.00 14.44 H new ATOM 0 HB2 GLN A 659 -8.041 -16.509 3.772 1.00 15.15 H new ATOM 0 HB3 GLN A 659 -6.676 -17.603 3.672 1.00 15.15 H new ATOM 0 HG2 GLN A 659 -7.945 -19.433 4.553 1.00 32.34 H new ATOM 0 HG3 GLN A 659 -9.247 -18.381 5.072 1.00 32.34 H new ATOM 0 HE21 GLN A 659 -10.340 -20.232 3.771 1.00 5.42 H new ATOM 0 HE22 GLN A 659 -10.638 -19.879 2.066 1.00 5.42 H new