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 27:sc= 0.0995 USER MOD Single : A 594 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.012) USER MOD Single : A 597 THR OG1 : rot -80:sc= 0.274 USER MOD Single : A 604 LYS NZ :NH3+ 161:sc=-0.00338 (180deg=-0.145) 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+ 154:sc= -0.164 (180deg=-0.746) USER MOD Single : A 622 LYS NZ :NH3+ -145:sc= -2.53! (180deg=-2.68!) USER MOD Single : A 624 LYS NZ :NH3+ 163:sc= -0.144 (180deg=-0.502) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HD1:sc= -0.0253 X(o=-0.025,f=-0.38) USER MOD Single : A 629 THR OG1 : rot 79:sc= 1.08 USER MOD Single : A 631 SER OG : rot -59:sc= 1.04 USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 654 HIS : no HD1:sc= -0.0583 X(o=-0.058,f=-0.059) 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=-0.28) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 2.184 9.581 -1.093 1.00 52.21 N ATOM 322 CA SER A 581 1.276 9.985 -2.160 1.00 35.50 C ATOM 323 C SER A 581 0.672 8.767 -2.850 1.00 50.33 C ATOM 324 O SER A 581 1.089 7.633 -2.612 1.00 31.44 O ATOM 325 CB SER A 581 2.012 10.852 -3.183 1.00 25.32 C ATOM 326 OG SER A 581 2.614 11.975 -2.562 1.00 64.42 O ATOM 0 HA SER A 581 0.468 10.566 -1.715 1.00 35.50 H new ATOM 0 HB2 SER A 581 2.775 10.258 -3.686 1.00 25.32 H new ATOM 0 HB3 SER A 581 1.313 11.188 -3.949 1.00 25.32 H new ATOM 0 HG SER A 581 2.805 11.767 -1.624 1.00 64.42 H new ATOM 331 N VAL A 582 -0.316 9.009 -3.707 1.00 61.54 N ATOM 332 CA VAL A 582 -0.979 7.933 -4.434 1.00 65.23 C ATOM 333 C VAL A 582 0.024 7.113 -5.237 1.00 24.44 C ATOM 334 O VAL A 582 -0.135 5.904 -5.400 1.00 3.03 O ATOM 335 CB VAL A 582 -2.058 8.480 -5.386 1.00 21.40 C ATOM 336 CG1 VAL A 582 -3.168 9.160 -4.600 1.00 52.23 C ATOM 337 CG2 VAL A 582 -1.443 9.439 -6.393 1.00 23.34 C ATOM 0 H VAL A 582 -0.675 9.941 -3.914 1.00 61.54 H new ATOM 0 HA VAL A 582 -1.453 7.294 -3.689 1.00 65.23 H new ATOM 0 HB VAL A 582 -2.493 7.644 -5.934 1.00 21.40 H new ATOM 0 HG11 VAL A 582 -3.922 9.540 -5.290 1.00 52.23 H new ATOM 0 HG12 VAL A 582 -3.627 8.441 -3.922 1.00 52.23 H new ATOM 0 HG13 VAL A 582 -2.752 9.987 -4.025 1.00 52.23 H new ATOM 0 HG21 VAL A 582 -2.220 9.816 -7.058 1.00 23.34 H new ATOM 0 HG22 VAL A 582 -0.981 10.273 -5.865 1.00 23.34 H new ATOM 0 HG23 VAL A 582 -0.687 8.916 -6.978 1.00 23.34 H new ATOM 347 N ALA A 583 1.060 7.780 -5.738 1.00 54.15 N ATOM 348 CA ALA A 583 2.091 7.114 -6.522 1.00 24.35 C ATOM 349 C ALA A 583 2.929 6.183 -5.651 1.00 13.34 C ATOM 350 O ALA A 583 3.235 5.059 -6.045 1.00 10.24 O ATOM 351 CB ALA A 583 2.980 8.141 -7.208 1.00 70.11 C ATOM 0 H ALA A 583 1.206 8.782 -5.614 1.00 54.15 H new ATOM 0 HA ALA A 583 1.598 6.510 -7.284 1.00 24.35 H new ATOM 0 HB1 ALA A 583 3.746 7.628 -7.790 1.00 70.11 H new ATOM 0 HB2 ALA A 583 2.376 8.761 -7.870 1.00 70.11 H new ATOM 0 HB3 ALA A 583 3.456 8.770 -6.456 1.00 70.11 H new ATOM 357 N GLU A 584 3.296 6.661 -4.467 1.00 41.21 N ATOM 358 CA GLU A 584 4.101 5.871 -3.541 1.00 14.23 C ATOM 359 C GLU A 584 3.281 4.728 -2.948 1.00 24.13 C ATOM 360 O GLU A 584 3.736 3.585 -2.900 1.00 42.12 O ATOM 361 CB GLU A 584 4.645 6.757 -2.420 1.00 73.12 C ATOM 362 CG GLU A 584 5.439 7.953 -2.919 1.00 2.15 C ATOM 363 CD GLU A 584 6.927 7.814 -2.660 1.00 23.13 C ATOM 364 OE1 GLU A 584 7.299 7.426 -1.533 1.00 41.51 O ATOM 365 OE2 GLU A 584 7.720 8.094 -3.584 1.00 10.43 O ATOM 0 H GLU A 584 3.050 7.590 -4.126 1.00 41.21 H new ATOM 0 HA GLU A 584 4.937 5.446 -4.097 1.00 14.23 H new ATOM 0 HB2 GLU A 584 3.812 7.112 -1.813 1.00 73.12 H new ATOM 0 HB3 GLU A 584 5.280 6.156 -1.769 1.00 73.12 H new ATOM 0 HG2 GLU A 584 5.270 8.076 -3.989 1.00 2.15 H new ATOM 0 HG3 GLU A 584 5.072 8.857 -2.432 1.00 2.15 H new ATOM 370 N VAL A 585 2.072 5.045 -2.499 1.00 13.21 N ATOM 371 CA VAL A 585 1.188 4.046 -1.910 1.00 62.12 C ATOM 372 C VAL A 585 0.987 2.865 -2.853 1.00 60.31 C ATOM 373 O VAL A 585 0.866 1.722 -2.415 1.00 53.14 O ATOM 374 CB VAL A 585 -0.186 4.648 -1.558 1.00 23.24 C ATOM 375 CG1 VAL A 585 -1.102 3.583 -0.977 1.00 44.11 C ATOM 376 CG2 VAL A 585 -0.025 5.811 -0.592 1.00 20.41 C ATOM 0 H VAL A 585 1.681 5.987 -2.532 1.00 13.21 H new ATOM 0 HA VAL A 585 1.669 3.699 -0.995 1.00 62.12 H new ATOM 0 HB VAL A 585 -0.644 5.026 -2.472 1.00 23.24 H new ATOM 0 HG11 VAL A 585 -2.068 4.027 -0.734 1.00 44.11 H new ATOM 0 HG12 VAL A 585 -1.242 2.786 -1.707 1.00 44.11 H new ATOM 0 HG13 VAL A 585 -0.654 3.172 -0.072 1.00 44.11 H new ATOM 0 HG21 VAL A 585 -1.005 6.225 -0.354 1.00 20.41 H new ATOM 0 HG22 VAL A 585 0.453 5.461 0.323 1.00 20.41 H new ATOM 0 HG23 VAL A 585 0.593 6.583 -1.051 1.00 20.41 H new ATOM 386 N GLU A 586 0.955 3.151 -4.151 1.00 14.32 N ATOM 387 CA GLU A 586 0.768 2.112 -5.157 1.00 20.30 C ATOM 388 C GLU A 586 1.773 0.980 -4.963 1.00 32.12 C ATOM 389 O GLU A 586 1.401 -0.192 -4.912 1.00 31.41 O ATOM 390 CB GLU A 586 0.911 2.699 -6.563 1.00 60.02 C ATOM 391 CG GLU A 586 -0.333 3.426 -7.047 1.00 33.33 C ATOM 392 CD GLU A 586 -0.006 4.611 -7.936 1.00 54.35 C ATOM 393 OE1 GLU A 586 1.037 4.570 -8.618 1.00 31.41 O ATOM 394 OE2 GLU A 586 -0.795 5.579 -7.947 1.00 13.13 O ATOM 0 H GLU A 586 1.056 4.093 -4.530 1.00 14.32 H new ATOM 0 HA GLU A 586 -0.237 1.707 -5.041 1.00 20.30 H new ATOM 0 HB2 GLU A 586 1.754 3.390 -6.575 1.00 60.02 H new ATOM 0 HB3 GLU A 586 1.147 1.896 -7.261 1.00 60.02 H new ATOM 0 HG2 GLU A 586 -0.967 2.729 -7.595 1.00 33.33 H new ATOM 0 HG3 GLU A 586 -0.907 3.769 -6.186 1.00 33.33 H new ATOM 399 N ALA A 587 3.047 1.341 -4.856 1.00 63.32 N ATOM 400 CA ALA A 587 4.106 0.357 -4.666 1.00 21.54 C ATOM 401 C ALA A 587 3.877 -0.459 -3.398 1.00 31.32 C ATOM 402 O ALA A 587 4.096 -1.672 -3.380 1.00 33.43 O ATOM 403 CB ALA A 587 5.463 1.044 -4.615 1.00 74.23 C ATOM 0 H ALA A 587 3.371 2.307 -4.898 1.00 63.32 H new ATOM 0 HA ALA A 587 4.088 -0.326 -5.515 1.00 21.54 H new ATOM 0 HB1 ALA A 587 6.244 0.297 -4.473 1.00 74.23 H new ATOM 0 HB2 ALA A 587 5.636 1.577 -5.550 1.00 74.23 H new ATOM 0 HB3 ALA A 587 5.482 1.751 -3.786 1.00 74.23 H new ATOM 409 N LEU A 588 3.436 0.212 -2.341 1.00 54.51 N ATOM 410 CA LEU A 588 3.177 -0.452 -1.067 1.00 54.02 C ATOM 411 C LEU A 588 2.192 -1.603 -1.243 1.00 51.22 C ATOM 412 O LEU A 588 2.418 -2.708 -0.751 1.00 40.32 O ATOM 413 CB LEU A 588 2.630 0.552 -0.049 1.00 4.21 C ATOM 414 CG LEU A 588 2.872 0.213 1.423 1.00 4.34 C ATOM 415 CD1 LEU A 588 2.392 -1.198 1.731 1.00 35.11 C ATOM 416 CD2 LEU A 588 4.345 0.365 1.770 1.00 41.45 C ATOM 0 H LEU A 588 3.250 1.215 -2.340 1.00 54.51 H new ATOM 0 HA LEU A 588 4.119 -0.858 -0.698 1.00 54.02 H new ATOM 0 HB2 LEU A 588 3.074 1.526 -0.255 1.00 4.21 H new ATOM 0 HB3 LEU A 588 1.556 0.651 -0.207 1.00 4.21 H new ATOM 0 HG LEU A 588 2.302 0.911 2.036 1.00 4.34 H new ATOM 0 HD11 LEU A 588 2.572 -1.422 2.782 1.00 35.11 H new ATOM 0 HD12 LEU A 588 1.325 -1.273 1.521 1.00 35.11 H new ATOM 0 HD13 LEU A 588 2.935 -1.911 1.110 1.00 35.11 H new ATOM 0 HD21 LEU A 588 4.498 0.120 2.821 1.00 41.45 H new ATOM 0 HD22 LEU A 588 4.936 -0.309 1.150 1.00 41.45 H new ATOM 0 HD23 LEU A 588 4.657 1.393 1.588 1.00 41.45 H new ATOM 427 N VAL A 589 1.098 -1.336 -1.950 1.00 75.13 N ATOM 428 CA VAL A 589 0.079 -2.350 -2.194 1.00 3.21 C ATOM 429 C VAL A 589 0.583 -3.412 -3.166 1.00 41.04 C ATOM 430 O VAL A 589 0.547 -4.606 -2.869 1.00 72.53 O ATOM 431 CB VAL A 589 -1.211 -1.725 -2.758 1.00 44.51 C ATOM 432 CG1 VAL A 589 -2.298 -2.781 -2.899 1.00 71.32 C ATOM 433 CG2 VAL A 589 -1.679 -0.581 -1.871 1.00 4.41 C ATOM 0 H VAL A 589 0.895 -0.426 -2.364 1.00 75.13 H new ATOM 0 HA VAL A 589 -0.141 -2.815 -1.233 1.00 3.21 H new ATOM 0 HB VAL A 589 -0.998 -1.323 -3.748 1.00 44.51 H new ATOM 0 HG11 VAL A 589 -3.202 -2.322 -3.299 1.00 71.32 H new ATOM 0 HG12 VAL A 589 -1.959 -3.564 -3.577 1.00 71.32 H new ATOM 0 HG13 VAL A 589 -2.513 -3.215 -1.922 1.00 71.32 H new ATOM 0 HG21 VAL A 589 -2.591 -0.150 -2.284 1.00 4.41 H new ATOM 0 HG22 VAL A 589 -1.877 -0.956 -0.867 1.00 4.41 H new ATOM 0 HG23 VAL A 589 -0.905 0.185 -1.826 1.00 4.41 H new ATOM 443 N GLU A 590 1.052 -2.968 -4.328 1.00 61.52 N ATOM 444 CA GLU A 590 1.563 -3.881 -5.343 1.00 1.52 C ATOM 445 C GLU A 590 2.593 -4.837 -4.747 1.00 72.00 C ATOM 446 O GLU A 590 2.534 -6.046 -4.968 1.00 2.01 O ATOM 447 CB GLU A 590 2.187 -3.097 -6.499 1.00 31.30 C ATOM 448 CG GLU A 590 1.168 -2.549 -7.484 1.00 63.32 C ATOM 449 CD GLU A 590 1.751 -1.485 -8.394 1.00 54.44 C ATOM 450 OE1 GLU A 590 2.969 -1.226 -8.302 1.00 3.11 O ATOM 451 OE2 GLU A 590 0.986 -0.911 -9.198 1.00 34.31 O ATOM 0 H GLU A 590 1.089 -1.983 -4.589 1.00 61.52 H new ATOM 0 HA GLU A 590 0.726 -4.467 -5.722 1.00 1.52 H new ATOM 0 HB2 GLU A 590 2.769 -2.269 -6.093 1.00 31.30 H new ATOM 0 HB3 GLU A 590 2.883 -3.745 -7.032 1.00 31.30 H new ATOM 0 HG2 GLU A 590 0.778 -3.367 -8.090 1.00 63.32 H new ATOM 0 HG3 GLU A 590 0.325 -2.130 -6.934 1.00 63.32 H new ATOM 456 N ALA A 591 3.536 -4.284 -3.991 1.00 3.13 N ATOM 457 CA ALA A 591 4.577 -5.086 -3.362 1.00 62.42 C ATOM 458 C ALA A 591 3.980 -6.101 -2.394 1.00 73.33 C ATOM 459 O ALA A 591 4.435 -7.242 -2.315 1.00 31.22 O ATOM 460 CB ALA A 591 5.572 -4.189 -2.642 1.00 75.34 C ATOM 0 H ALA A 591 3.600 -3.284 -3.800 1.00 3.13 H new ATOM 0 HA ALA A 591 5.100 -5.635 -4.145 1.00 62.42 H new ATOM 0 HB1 ALA A 591 6.344 -4.802 -2.177 1.00 75.34 H new ATOM 0 HB2 ALA A 591 6.032 -3.508 -3.358 1.00 75.34 H new ATOM 0 HB3 ALA A 591 5.054 -3.614 -1.875 1.00 75.34 H new ATOM 466 N VAL A 592 2.958 -5.677 -1.656 1.00 21.22 N ATOM 467 CA VAL A 592 2.298 -6.549 -0.692 1.00 22.14 C ATOM 468 C VAL A 592 1.422 -7.581 -1.395 1.00 41.01 C ATOM 469 O VAL A 592 1.169 -8.660 -0.861 1.00 5.11 O ATOM 470 CB VAL A 592 1.431 -5.743 0.293 1.00 71.15 C ATOM 471 CG1 VAL A 592 0.509 -6.667 1.074 1.00 72.53 C ATOM 472 CG2 VAL A 592 2.311 -4.934 1.235 1.00 13.20 C ATOM 0 H VAL A 592 2.570 -4.735 -1.708 1.00 21.22 H new ATOM 0 HA VAL A 592 3.085 -7.060 -0.137 1.00 22.14 H new ATOM 0 HB VAL A 592 0.812 -5.050 -0.277 1.00 71.15 H new ATOM 0 HG11 VAL A 592 -0.095 -6.079 1.765 1.00 72.53 H new ATOM 0 HG12 VAL A 592 -0.144 -7.199 0.382 1.00 72.53 H new ATOM 0 HG13 VAL A 592 1.105 -7.386 1.636 1.00 72.53 H new ATOM 0 HG21 VAL A 592 1.683 -4.370 1.925 1.00 13.20 H new ATOM 0 HG22 VAL A 592 2.956 -5.608 1.799 1.00 13.20 H new ATOM 0 HG23 VAL A 592 2.925 -4.244 0.656 1.00 13.20 H new ATOM 482 N GLU A 593 0.963 -7.241 -2.595 1.00 51.01 N ATOM 483 CA GLU A 593 0.115 -8.139 -3.370 1.00 13.23 C ATOM 484 C GLU A 593 0.929 -9.291 -3.949 1.00 5.32 C ATOM 485 O GLU A 593 0.468 -10.433 -3.990 1.00 41.12 O ATOM 486 CB GLU A 593 -0.580 -7.373 -4.499 1.00 60.13 C ATOM 487 CG GLU A 593 -2.033 -7.041 -4.205 1.00 60.11 C ATOM 488 CD GLU A 593 -2.852 -6.842 -5.465 1.00 10.21 C ATOM 489 OE1 GLU A 593 -2.298 -6.328 -6.459 1.00 61.01 O ATOM 490 OE2 GLU A 593 -4.048 -7.201 -5.457 1.00 11.43 O ATOM 0 H GLU A 593 1.164 -6.351 -3.051 1.00 51.01 H new ATOM 0 HA GLU A 593 -0.641 -8.551 -2.701 1.00 13.23 H new ATOM 0 HB2 GLU A 593 -0.036 -6.448 -4.688 1.00 60.13 H new ATOM 0 HB3 GLU A 593 -0.529 -7.965 -5.413 1.00 60.13 H new ATOM 0 HG2 GLU A 593 -2.473 -7.844 -3.613 1.00 60.11 H new ATOM 0 HG3 GLU A 593 -2.080 -6.136 -3.599 1.00 60.11 H new ATOM 495 N HIS A 594 2.142 -8.986 -4.397 1.00 34.35 N ATOM 496 CA HIS A 594 3.022 -9.995 -4.975 1.00 43.13 C ATOM 497 C HIS A 594 3.828 -10.699 -3.887 1.00 61.22 C ATOM 498 O HIS A 594 3.918 -11.927 -3.862 1.00 40.51 O ATOM 499 CB HIS A 594 3.966 -9.358 -5.993 1.00 31.24 C ATOM 500 CG HIS A 594 4.368 -10.284 -7.100 1.00 44.32 C ATOM 501 ND1 HIS A 594 5.683 -10.572 -7.400 1.00 31.14 N ATOM 502 CD2 HIS A 594 3.619 -10.991 -7.979 1.00 71.52 C ATOM 503 CE1 HIS A 594 5.726 -11.413 -8.417 1.00 3.25 C ATOM 504 NE2 HIS A 594 4.487 -11.685 -8.786 1.00 34.44 N ATOM 0 H HIS A 594 2.539 -8.047 -4.371 1.00 34.35 H new ATOM 0 HA HIS A 594 2.402 -10.735 -5.481 1.00 43.13 H new ATOM 0 HB2 HIS A 594 3.484 -8.479 -6.422 1.00 31.24 H new ATOM 0 HB3 HIS A 594 4.862 -9.011 -5.478 1.00 31.24 H new ATOM 0 HD2 HIS A 594 2.541 -11.006 -8.035 1.00 71.52 H new ATOM 0 HE1 HIS A 594 6.622 -11.811 -8.870 1.00 3.25 H new ATOM 0 HE2 HIS A 594 4.219 -12.309 -9.547 1.00 34.44 H new ATOM 511 N LEU A 595 4.415 -9.913 -2.990 1.00 5.13 N ATOM 512 CA LEU A 595 5.216 -10.460 -1.901 1.00 44.24 C ATOM 513 C LEU A 595 4.323 -10.973 -0.774 1.00 24.55 C ATOM 514 O LEU A 595 4.727 -11.832 0.008 1.00 72.44 O ATOM 515 CB LEU A 595 6.175 -9.398 -1.363 1.00 71.15 C ATOM 516 CG LEU A 595 7.121 -8.769 -2.386 1.00 72.40 C ATOM 517 CD1 LEU A 595 7.647 -7.435 -1.877 1.00 22.33 C ATOM 518 CD2 LEU A 595 8.273 -9.713 -2.698 1.00 31.02 C ATOM 0 H LEU A 595 4.351 -8.895 -2.996 1.00 5.13 H new ATOM 0 HA LEU A 595 5.794 -11.297 -2.293 1.00 44.24 H new ATOM 0 HB2 LEU A 595 5.586 -8.603 -0.906 1.00 71.15 H new ATOM 0 HB3 LEU A 595 6.775 -9.846 -0.571 1.00 71.15 H new ATOM 0 HG LEU A 595 6.564 -8.590 -3.306 1.00 72.40 H new ATOM 0 HD11 LEU A 595 8.319 -7.002 -2.618 1.00 22.33 H new ATOM 0 HD12 LEU A 595 6.812 -6.757 -1.704 1.00 22.33 H new ATOM 0 HD13 LEU A 595 8.188 -7.590 -0.943 1.00 22.33 H new ATOM 0 HD21 LEU A 595 8.936 -9.249 -3.428 1.00 31.02 H new ATOM 0 HD22 LEU A 595 8.829 -9.923 -1.784 1.00 31.02 H new ATOM 0 HD23 LEU A 595 7.880 -10.644 -3.106 1.00 31.02 H new ATOM 529 N GLY A 596 3.107 -10.441 -0.701 1.00 65.34 N ATOM 530 CA GLY A 596 2.176 -10.859 0.331 1.00 60.21 C ATOM 531 C GLY A 596 2.360 -10.089 1.624 1.00 23.22 C ATOM 532 O GLY A 596 3.175 -9.168 1.698 1.00 10.05 O ATOM 0 H GLY A 596 2.750 -9.728 -1.338 1.00 65.34 H new ATOM 0 HA2 GLY A 596 1.156 -10.723 -0.027 1.00 60.21 H new ATOM 0 HA3 GLY A 596 2.306 -11.924 0.524 1.00 60.21 H new ATOM 536 N THR A 597 1.600 -10.465 2.648 1.00 31.13 N ATOM 537 CA THR A 597 1.680 -9.801 3.943 1.00 20.23 C ATOM 538 C THR A 597 2.628 -10.540 4.881 1.00 23.23 C ATOM 539 O THR A 597 2.494 -10.464 6.102 1.00 15.22 O ATOM 540 CB THR A 597 0.295 -9.698 4.608 1.00 73.23 C ATOM 541 OG1 THR A 597 -0.423 -10.925 4.437 1.00 41.14 O ATOM 542 CG2 THR A 597 -0.506 -8.549 4.015 1.00 61.41 C ATOM 0 H THR A 597 0.922 -11.226 2.605 1.00 31.13 H new ATOM 0 HA THR A 597 2.062 -8.797 3.761 1.00 20.23 H new ATOM 0 HB THR A 597 0.440 -9.508 5.671 1.00 73.23 H new ATOM 0 HG1 THR A 597 -0.808 -10.956 3.537 1.00 41.14 H new ATOM 0 HG21 THR A 597 -1.480 -8.496 4.500 1.00 61.41 H new ATOM 0 HG22 THR A 597 0.029 -7.613 4.173 1.00 61.41 H new ATOM 0 HG23 THR A 597 -0.642 -8.714 2.946 1.00 61.41 H new ATOM 550 N GLY A 598 3.589 -11.255 4.302 1.00 40.33 N ATOM 551 CA GLY A 598 4.546 -11.996 5.102 1.00 12.30 C ATOM 552 C GLY A 598 5.981 -11.652 4.756 1.00 54.35 C ATOM 553 O GLY A 598 6.914 -12.273 5.265 1.00 32.53 O ATOM 0 H GLY A 598 3.721 -11.334 3.294 1.00 40.33 H new ATOM 0 HA2 GLY A 598 4.370 -11.788 6.158 1.00 12.30 H new ATOM 0 HA3 GLY A 598 4.387 -13.064 4.956 1.00 12.30 H new ATOM 557 N ARG A 599 6.157 -10.661 3.889 1.00 70.02 N ATOM 558 CA ARG A 599 7.489 -10.237 3.474 1.00 22.03 C ATOM 559 C ARG A 599 7.618 -8.718 3.530 1.00 62.11 C ATOM 560 O ARG A 599 7.450 -8.033 2.521 1.00 2.13 O ATOM 561 CB ARG A 599 7.786 -10.733 2.057 1.00 61.23 C ATOM 562 CG ARG A 599 8.281 -12.169 2.006 1.00 25.51 C ATOM 563 CD ARG A 599 8.712 -12.561 0.601 1.00 73.52 C ATOM 564 NE ARG A 599 8.531 -13.988 0.350 1.00 75.24 N ATOM 565 CZ ARG A 599 8.906 -14.589 -0.773 1.00 42.51 C ATOM 566 NH1 ARG A 599 9.479 -13.891 -1.744 1.00 25.12 N ATOM 567 NH2 ARG A 599 8.706 -15.892 -0.927 1.00 25.34 N ATOM 0 H ARG A 599 5.394 -10.137 3.460 1.00 70.02 H new ATOM 0 HA ARG A 599 8.213 -10.671 4.163 1.00 22.03 H new ATOM 0 HB2 ARG A 599 6.882 -10.648 1.454 1.00 61.23 H new ATOM 0 HB3 ARG A 599 8.534 -10.083 1.603 1.00 61.23 H new ATOM 0 HG2 ARG A 599 9.119 -12.290 2.692 1.00 25.51 H new ATOM 0 HG3 ARG A 599 7.491 -12.839 2.346 1.00 25.51 H new ATOM 0 HD2 ARG A 599 8.137 -11.989 -0.127 1.00 73.52 H new ATOM 0 HD3 ARG A 599 9.760 -12.298 0.457 1.00 73.52 H new ATOM 0 HE ARG A 599 8.093 -14.554 1.077 1.00 75.24 H new ATOM 0 HH11 ARG A 599 9.633 -12.889 -1.629 1.00 25.12 H new ATOM 0 HH12 ARG A 599 9.766 -14.356 -2.605 1.00 25.12 H new ATOM 0 HH21 ARG A 599 8.264 -16.432 -0.183 1.00 25.34 H new ATOM 0 HH22 ARG A 599 8.994 -16.354 -1.790 1.00 25.34 H new ATOM 578 N TRP A 600 7.917 -8.198 4.715 1.00 22.00 N ATOM 579 CA TRP A 600 8.068 -6.760 4.902 1.00 73.12 C ATOM 580 C TRP A 600 9.324 -6.250 4.206 1.00 71.35 C ATOM 581 O TRP A 600 9.275 -5.280 3.448 1.00 41.31 O ATOM 582 CB TRP A 600 8.124 -6.423 6.393 1.00 70.24 C ATOM 583 CG TRP A 600 7.048 -7.092 7.194 1.00 62.13 C ATOM 584 CD1 TRP A 600 5.790 -7.413 6.771 1.00 63.53 C ATOM 585 CD2 TRP A 600 7.137 -7.521 8.558 1.00 13.23 C ATOM 586 NE1 TRP A 600 5.091 -8.015 7.789 1.00 11.40 N ATOM 587 CE2 TRP A 600 5.894 -8.094 8.895 1.00 22.21 C ATOM 588 CE3 TRP A 600 8.143 -7.479 9.525 1.00 64.43 C ATOM 589 CZ2 TRP A 600 5.636 -8.619 10.158 1.00 72.23 C ATOM 590 CZ3 TRP A 600 7.886 -8.000 10.779 1.00 55.14 C ATOM 591 CH2 TRP A 600 6.640 -8.564 11.086 1.00 61.04 C ATOM 0 H TRP A 600 8.060 -8.751 5.560 1.00 22.00 H new ATOM 0 HA TRP A 600 7.203 -6.268 4.457 1.00 73.12 H new ATOM 0 HB2 TRP A 600 9.097 -6.716 6.788 1.00 70.24 H new ATOM 0 HB3 TRP A 600 8.042 -5.343 6.518 1.00 70.24 H new ATOM 0 HD1 TRP A 600 5.402 -7.222 5.782 1.00 63.53 H new ATOM 0 HE1 TRP A 600 4.129 -8.349 7.730 1.00 11.40 H new ATOM 0 HE3 TRP A 600 9.106 -7.047 9.297 1.00 64.43 H new ATOM 0 HZ2 TRP A 600 4.677 -9.054 10.397 1.00 72.23 H new ATOM 0 HZ3 TRP A 600 8.657 -7.972 11.534 1.00 55.14 H new ATOM 0 HH2 TRP A 600 6.469 -8.963 12.075 1.00 61.04 H new ATOM 601 N ARG A 601 10.450 -6.907 4.467 1.00 74.10 N ATOM 602 CA ARG A 601 11.720 -6.518 3.865 1.00 53.24 C ATOM 603 C ARG A 601 11.600 -6.442 2.346 1.00 72.32 C ATOM 604 O ARG A 601 12.032 -5.468 1.727 1.00 3.42 O ATOM 605 CB ARG A 601 12.818 -7.511 4.252 1.00 54.52 C ATOM 606 CG ARG A 601 14.148 -7.242 3.570 1.00 5.31 C ATOM 607 CD ARG A 601 15.299 -7.901 4.316 1.00 33.35 C ATOM 608 NE ARG A 601 16.027 -8.847 3.475 1.00 42.42 N ATOM 609 CZ ARG A 601 15.580 -10.063 3.181 1.00 1.21 C ATOM 610 NH1 ARG A 601 14.413 -10.477 3.657 1.00 24.41 N ATOM 611 NH2 ARG A 601 16.299 -10.867 2.409 1.00 40.21 N ATOM 0 H ARG A 601 10.508 -7.711 5.092 1.00 74.10 H new ATOM 0 HA ARG A 601 11.985 -5.530 4.241 1.00 53.24 H new ATOM 0 HB2 ARG A 601 12.960 -7.480 5.332 1.00 54.52 H new ATOM 0 HB3 ARG A 601 12.489 -8.520 4.003 1.00 54.52 H new ATOM 0 HG2 ARG A 601 14.115 -7.615 2.546 1.00 5.31 H new ATOM 0 HG3 ARG A 601 14.318 -6.167 3.513 1.00 5.31 H new ATOM 0 HD2 ARG A 601 15.985 -7.134 4.675 1.00 33.35 H new ATOM 0 HD3 ARG A 601 14.913 -8.419 5.194 1.00 33.35 H new ATOM 0 HE ARG A 601 16.928 -8.559 3.093 1.00 42.42 H new ATOM 0 HH11 ARG A 601 13.857 -9.861 4.250 1.00 24.41 H new ATOM 0 HH12 ARG A 601 14.072 -11.411 3.430 1.00 24.41 H new ATOM 0 HH21 ARG A 601 17.196 -10.552 2.040 1.00 40.21 H new ATOM 0 HH22 ARG A 601 15.955 -11.800 2.184 1.00 40.21 H new ATOM 622 N ASP A 602 11.013 -7.475 1.751 1.00 54.23 N ATOM 623 CA ASP A 602 10.836 -7.525 0.305 1.00 53.22 C ATOM 624 C ASP A 602 9.980 -6.358 -0.179 1.00 12.01 C ATOM 625 O ASP A 602 10.246 -5.772 -1.228 1.00 23.05 O ATOM 626 CB ASP A 602 10.193 -8.850 -0.106 1.00 31.14 C ATOM 627 CG ASP A 602 10.894 -10.047 0.504 1.00 44.23 C ATOM 628 OD1 ASP A 602 10.827 -10.207 1.741 1.00 62.42 O ATOM 629 OD2 ASP A 602 11.510 -10.826 -0.255 1.00 51.22 O ATOM 0 H ASP A 602 10.652 -8.289 2.248 1.00 54.23 H new ATOM 0 HA ASP A 602 11.819 -7.448 -0.159 1.00 53.22 H new ATOM 0 HB2 ASP A 602 9.146 -8.852 0.198 1.00 31.14 H new ATOM 0 HB3 ASP A 602 10.210 -8.937 -1.192 1.00 31.14 H new ATOM 633 N VAL A 603 8.950 -6.026 0.593 1.00 31.24 N ATOM 634 CA VAL A 603 8.055 -4.930 0.244 1.00 12.23 C ATOM 635 C VAL A 603 8.806 -3.605 0.182 1.00 74.32 C ATOM 636 O VAL A 603 8.458 -2.716 -0.596 1.00 71.13 O ATOM 637 CB VAL A 603 6.898 -4.805 1.254 1.00 25.43 C ATOM 638 CG1 VAL A 603 6.175 -3.480 1.075 1.00 54.32 C ATOM 639 CG2 VAL A 603 5.935 -5.973 1.106 1.00 41.33 C ATOM 0 H VAL A 603 8.715 -6.501 1.465 1.00 31.24 H new ATOM 0 HA VAL A 603 7.645 -5.158 -0.740 1.00 12.23 H new ATOM 0 HB VAL A 603 7.312 -4.831 2.262 1.00 25.43 H new ATOM 0 HG11 VAL A 603 5.361 -3.409 1.797 1.00 54.32 H new ATOM 0 HG12 VAL A 603 6.874 -2.659 1.235 1.00 54.32 H new ATOM 0 HG13 VAL A 603 5.770 -3.420 0.065 1.00 54.32 H new ATOM 0 HG21 VAL A 603 5.124 -5.869 1.827 1.00 41.33 H new ATOM 0 HG22 VAL A 603 5.525 -5.980 0.096 1.00 41.33 H new ATOM 0 HG23 VAL A 603 6.466 -6.907 1.289 1.00 41.33 H new ATOM 649 N LYS A 604 9.840 -3.479 1.008 1.00 11.01 N ATOM 650 CA LYS A 604 10.643 -2.262 1.048 1.00 5.13 C ATOM 651 C LYS A 604 11.445 -2.097 -0.240 1.00 24.14 C ATOM 652 O LYS A 604 11.431 -1.034 -0.859 1.00 71.21 O ATOM 653 CB LYS A 604 11.590 -2.292 2.250 1.00 15.05 C ATOM 654 CG LYS A 604 12.124 -0.923 2.636 1.00 43.24 C ATOM 655 CD LYS A 604 12.896 -0.976 3.944 1.00 75.24 C ATOM 656 CE LYS A 604 14.271 -0.341 3.805 1.00 55.12 C ATOM 657 NZ LYS A 604 14.184 1.089 3.400 1.00 15.34 N ATOM 0 H LYS A 604 10.141 -4.205 1.658 1.00 11.01 H new ATOM 0 HA LYS A 604 9.967 -1.413 1.146 1.00 5.13 H new ATOM 0 HB2 LYS A 604 11.067 -2.723 3.104 1.00 15.05 H new ATOM 0 HB3 LYS A 604 12.429 -2.950 2.025 1.00 15.05 H new ATOM 0 HG2 LYS A 604 12.772 -0.548 1.844 1.00 43.24 H new ATOM 0 HG3 LYS A 604 11.295 -0.221 2.729 1.00 43.24 H new ATOM 0 HD2 LYS A 604 12.333 -0.460 4.722 1.00 75.24 H new ATOM 0 HD3 LYS A 604 13.003 -2.013 4.263 1.00 75.24 H new ATOM 0 HE2 LYS A 604 14.804 -0.418 4.753 1.00 55.12 H new ATOM 0 HE3 LYS A 604 14.853 -0.893 3.066 1.00 55.12 H new ATOM 0 HZ1 LYS A 604 15.080 1.568 3.623 1.00 15.34 H new ATOM 0 HZ2 LYS A 604 14.004 1.150 2.378 1.00 15.34 H new ATOM 0 HZ3 LYS A 604 13.408 1.549 3.916 1.00 15.34 H new ATOM 667 N MET A 605 12.141 -3.157 -0.638 1.00 3.30 N ATOM 668 CA MET A 605 12.946 -3.130 -1.854 1.00 51.53 C ATOM 669 C MET A 605 12.059 -3.157 -3.094 1.00 4.32 C ATOM 670 O MET A 605 12.410 -2.597 -4.132 1.00 15.42 O ATOM 671 CB MET A 605 13.913 -4.316 -1.877 1.00 34.44 C ATOM 672 CG MET A 605 13.230 -5.652 -2.114 1.00 12.31 C ATOM 673 SD MET A 605 14.403 -7.012 -2.283 1.00 12.31 S ATOM 674 CE MET A 605 14.665 -7.014 -4.055 1.00 30.12 C ATOM 0 H MET A 605 12.164 -4.045 -0.137 1.00 3.30 H new ATOM 0 HA MET A 605 13.519 -2.203 -1.860 1.00 51.53 H new ATOM 0 HB2 MET A 605 14.656 -4.153 -2.658 1.00 34.44 H new ATOM 0 HB3 MET A 605 14.450 -4.355 -0.929 1.00 34.44 H new ATOM 0 HG2 MET A 605 12.553 -5.862 -1.286 1.00 12.31 H new ATOM 0 HG3 MET A 605 12.620 -5.589 -3.015 1.00 12.31 H new ATOM 0 HE1 MET A 605 15.370 -7.803 -4.318 1.00 30.12 H new ATOM 0 HE2 MET A 605 13.717 -7.190 -4.563 1.00 30.12 H new ATOM 0 HE3 MET A 605 15.068 -6.050 -4.364 1.00 30.12 H new ATOM 682 N ARG A 606 10.909 -3.814 -2.979 1.00 14.13 N ATOM 683 CA ARG A 606 9.972 -3.915 -4.091 1.00 11.34 C ATOM 684 C ARG A 606 9.230 -2.598 -4.299 1.00 0.42 C ATOM 685 O ARG A 606 9.018 -2.165 -5.432 1.00 63.11 O ATOM 686 CB ARG A 606 8.970 -5.043 -3.842 1.00 4.30 C ATOM 687 CG ARG A 606 7.799 -5.044 -4.810 1.00 14.41 C ATOM 688 CD ARG A 606 8.223 -5.497 -6.199 1.00 60.44 C ATOM 689 NE ARG A 606 8.979 -4.464 -6.903 1.00 25.21 N ATOM 690 CZ ARG A 606 9.778 -4.715 -7.935 1.00 60.42 C ATOM 691 NH1 ARG A 606 9.923 -5.955 -8.380 1.00 62.34 N ATOM 692 NH2 ARG A 606 10.433 -3.722 -8.524 1.00 64.00 N ATOM 0 H ARG A 606 10.604 -4.284 -2.127 1.00 14.13 H new ATOM 0 HA ARG A 606 10.542 -4.138 -4.993 1.00 11.34 H new ATOM 0 HB2 ARG A 606 9.488 -5.999 -3.911 1.00 4.30 H new ATOM 0 HB3 ARG A 606 8.589 -4.960 -2.824 1.00 4.30 H new ATOM 0 HG2 ARG A 606 7.016 -5.703 -4.435 1.00 14.41 H new ATOM 0 HG3 ARG A 606 7.372 -4.043 -4.867 1.00 14.41 H new ATOM 0 HD2 ARG A 606 8.830 -6.399 -6.117 1.00 60.44 H new ATOM 0 HD3 ARG A 606 7.339 -5.760 -6.780 1.00 60.44 H new ATOM 0 HE ARG A 606 8.889 -3.499 -6.586 1.00 25.21 H new ATOM 0 HH11 ARG A 606 9.421 -6.720 -7.930 1.00 62.34 H new ATOM 0 HH12 ARG A 606 10.537 -6.144 -9.172 1.00 62.34 H new ATOM 0 HH21 ARG A 606 10.323 -2.766 -8.185 1.00 64.00 H new ATOM 0 HH22 ARG A 606 11.046 -3.915 -9.316 1.00 64.00 H new ATOM 703 N ALA A 607 8.836 -1.967 -3.199 1.00 73.44 N ATOM 704 CA ALA A 607 8.119 -0.700 -3.260 1.00 54.35 C ATOM 705 C ALA A 607 9.083 0.469 -3.434 1.00 21.34 C ATOM 706 O ALA A 607 9.012 1.203 -4.420 1.00 3.22 O ATOM 707 CB ALA A 607 7.277 -0.508 -2.007 1.00 65.14 C ATOM 0 H ALA A 607 9.001 -2.313 -2.254 1.00 73.44 H new ATOM 0 HA ALA A 607 7.460 -0.727 -4.128 1.00 54.35 H new ATOM 0 HB1 ALA A 607 6.747 0.443 -2.067 1.00 65.14 H new ATOM 0 HB2 ALA A 607 6.556 -1.321 -1.925 1.00 65.14 H new ATOM 0 HB3 ALA A 607 7.924 -0.508 -1.130 1.00 65.14 H new ATOM 713 N PHE A 608 9.983 0.637 -2.472 1.00 10.21 N ATOM 714 CA PHE A 608 10.961 1.718 -2.518 1.00 23.14 C ATOM 715 C PHE A 608 12.125 1.359 -3.439 1.00 51.21 C ATOM 716 O PHE A 608 12.763 0.319 -3.273 1.00 31.42 O ATOM 717 CB PHE A 608 11.482 2.024 -1.113 1.00 63.10 C ATOM 718 CG PHE A 608 10.400 2.386 -0.137 1.00 33.13 C ATOM 719 CD1 PHE A 608 9.612 1.403 0.439 1.00 13.23 C ATOM 720 CD2 PHE A 608 10.170 3.710 0.203 1.00 25.34 C ATOM 721 CE1 PHE A 608 8.614 1.733 1.338 1.00 14.13 C ATOM 722 CE2 PHE A 608 9.175 4.045 1.101 1.00 1.10 C ATOM 723 CZ PHE A 608 8.396 3.056 1.668 1.00 13.33 C ATOM 0 H PHE A 608 10.056 0.038 -1.650 1.00 10.21 H new ATOM 0 HA PHE A 608 10.467 2.605 -2.915 1.00 23.14 H new ATOM 0 HB2 PHE A 608 12.023 1.155 -0.738 1.00 63.10 H new ATOM 0 HB3 PHE A 608 12.197 2.844 -1.170 1.00 63.10 H new ATOM 0 HD1 PHE A 608 9.779 0.367 0.183 1.00 13.23 H new ATOM 0 HD2 PHE A 608 10.775 4.488 -0.239 1.00 25.34 H new ATOM 0 HE1 PHE A 608 8.007 0.958 1.781 1.00 14.13 H new ATOM 0 HE2 PHE A 608 9.007 5.080 1.359 1.00 1.10 H new ATOM 0 HZ PHE A 608 7.617 3.317 2.369 1.00 13.33 H new ATOM 828 N TYR A 616 11.803 -0.640 7.572 1.00 1.31 N ATOM 829 CA TYR A 616 11.004 -1.756 7.080 1.00 43.13 C ATOM 830 C TYR A 616 9.636 -1.785 7.755 1.00 2.11 C ATOM 831 O TYR A 616 8.640 -2.185 7.150 1.00 72.20 O ATOM 832 CB TYR A 616 11.733 -3.079 7.324 1.00 22.03 C ATOM 833 CG TYR A 616 12.011 -3.358 8.783 1.00 53.52 C ATOM 834 CD1 TYR A 616 11.093 -4.047 9.566 1.00 54.14 C ATOM 835 CD2 TYR A 616 13.192 -2.933 9.379 1.00 2.12 C ATOM 836 CE1 TYR A 616 11.342 -4.303 10.901 1.00 74.41 C ATOM 837 CE2 TYR A 616 13.450 -3.186 10.713 1.00 12.02 C ATOM 838 CZ TYR A 616 12.523 -3.871 11.469 1.00 52.34 C ATOM 839 OH TYR A 616 12.775 -4.125 12.798 1.00 23.34 O ATOM 0 HA TYR A 616 10.858 -1.621 6.008 1.00 43.13 H new ATOM 0 HB2 TYR A 616 11.136 -3.894 6.915 1.00 22.03 H new ATOM 0 HB3 TYR A 616 12.677 -3.070 6.778 1.00 22.03 H new ATOM 0 HD1 TYR A 616 10.169 -4.388 9.124 1.00 54.14 H new ATOM 0 HD2 TYR A 616 13.921 -2.396 8.790 1.00 2.12 H new ATOM 0 HE1 TYR A 616 10.617 -4.838 11.496 1.00 74.41 H new ATOM 0 HE2 TYR A 616 14.373 -2.849 11.161 1.00 12.02 H new ATOM 0 HH TYR A 616 13.649 -3.756 13.042 1.00 23.34 H new ATOM 848 N VAL A 617 9.594 -1.359 9.013 1.00 30.20 N ATOM 849 CA VAL A 617 8.349 -1.334 9.771 1.00 70.11 C ATOM 850 C VAL A 617 7.423 -0.231 9.271 1.00 61.02 C ATOM 851 O VAL A 617 6.201 -0.375 9.294 1.00 12.22 O ATOM 852 CB VAL A 617 8.612 -1.126 11.275 1.00 10.42 C ATOM 853 CG1 VAL A 617 9.246 0.234 11.523 1.00 20.20 C ATOM 854 CG2 VAL A 617 7.321 -1.273 12.066 1.00 54.23 C ATOM 0 H VAL A 617 10.408 -1.026 9.529 1.00 30.20 H new ATOM 0 HA VAL A 617 7.869 -2.302 9.624 1.00 70.11 H new ATOM 0 HB VAL A 617 9.309 -1.892 11.614 1.00 10.42 H new ATOM 0 HG11 VAL A 617 9.424 0.363 12.591 1.00 20.20 H new ATOM 0 HG12 VAL A 617 10.193 0.297 10.987 1.00 20.20 H new ATOM 0 HG13 VAL A 617 8.576 1.018 11.170 1.00 20.20 H new ATOM 0 HG21 VAL A 617 7.525 -1.123 13.126 1.00 54.23 H new ATOM 0 HG22 VAL A 617 6.600 -0.530 11.727 1.00 54.23 H new ATOM 0 HG23 VAL A 617 6.912 -2.272 11.913 1.00 54.23 H new ATOM 864 N ASP A 618 8.014 0.870 8.818 1.00 42.12 N ATOM 865 CA ASP A 618 7.242 1.997 8.310 1.00 30.33 C ATOM 866 C ASP A 618 6.244 1.539 7.251 1.00 33.21 C ATOM 867 O ASP A 618 5.057 1.861 7.321 1.00 61.43 O ATOM 868 CB ASP A 618 8.175 3.059 7.725 1.00 24.33 C ATOM 869 CG ASP A 618 8.170 4.342 8.532 1.00 71.41 C ATOM 870 OD1 ASP A 618 8.985 4.453 9.472 1.00 54.51 O ATOM 871 OD2 ASP A 618 7.352 5.234 8.224 1.00 63.54 O ATOM 0 H ASP A 618 9.025 1.005 8.793 1.00 42.12 H new ATOM 0 HA ASP A 618 6.687 2.431 9.142 1.00 30.33 H new ATOM 0 HB2 ASP A 618 9.190 2.664 7.683 1.00 24.33 H new ATOM 0 HB3 ASP A 618 7.875 3.277 6.700 1.00 24.33 H new ATOM 875 N LEU A 619 6.733 0.790 6.270 1.00 65.01 N ATOM 876 CA LEU A 619 5.884 0.288 5.194 1.00 62.31 C ATOM 877 C LEU A 619 4.689 -0.475 5.755 1.00 33.12 C ATOM 878 O LEU A 619 3.602 -0.461 5.177 1.00 13.02 O ATOM 879 CB LEU A 619 6.691 -0.617 4.262 1.00 4.42 C ATOM 880 CG LEU A 619 6.855 -2.070 4.713 1.00 31.21 C ATOM 881 CD1 LEU A 619 5.717 -2.927 4.179 1.00 72.51 C ATOM 882 CD2 LEU A 619 8.199 -2.620 4.259 1.00 40.42 C ATOM 0 H LEU A 619 7.713 0.516 6.196 1.00 65.01 H new ATOM 0 HA LEU A 619 5.512 1.142 4.628 1.00 62.31 H new ATOM 0 HB2 LEU A 619 6.214 -0.613 3.282 1.00 4.42 H new ATOM 0 HB3 LEU A 619 7.683 -0.183 4.135 1.00 4.42 H new ATOM 0 HG LEU A 619 6.823 -2.099 5.802 1.00 31.21 H new ATOM 0 HD11 LEU A 619 5.851 -3.957 4.510 1.00 72.51 H new ATOM 0 HD12 LEU A 619 4.767 -2.546 4.554 1.00 72.51 H new ATOM 0 HD13 LEU A 619 5.716 -2.893 3.090 1.00 72.51 H new ATOM 0 HD21 LEU A 619 8.299 -3.654 4.588 1.00 40.42 H new ATOM 0 HD22 LEU A 619 8.261 -2.578 3.172 1.00 40.42 H new ATOM 0 HD23 LEU A 619 9.002 -2.022 4.691 1.00 40.42 H new ATOM 893 N LYS A 620 4.896 -1.140 6.886 1.00 61.14 N ATOM 894 CA LYS A 620 3.835 -1.907 7.529 1.00 23.53 C ATOM 895 C LYS A 620 2.692 -0.995 7.963 1.00 45.24 C ATOM 896 O LYS A 620 1.537 -1.216 7.598 1.00 22.20 O ATOM 897 CB LYS A 620 4.387 -2.664 8.740 1.00 14.21 C ATOM 898 CG LYS A 620 3.708 -4.001 8.982 1.00 53.24 C ATOM 899 CD LYS A 620 4.710 -5.072 9.376 1.00 72.55 C ATOM 900 CE LYS A 620 4.991 -5.050 10.871 1.00 52.02 C ATOM 901 NZ LYS A 620 3.766 -5.331 11.669 1.00 14.21 N ATOM 0 H LYS A 620 5.790 -1.164 7.377 1.00 61.14 H new ATOM 0 HA LYS A 620 3.449 -2.625 6.805 1.00 23.53 H new ATOM 0 HB2 LYS A 620 5.455 -2.829 8.599 1.00 14.21 H new ATOM 0 HB3 LYS A 620 4.275 -2.043 9.629 1.00 14.21 H new ATOM 0 HG2 LYS A 620 2.961 -3.894 9.768 1.00 53.24 H new ATOM 0 HG3 LYS A 620 3.179 -4.310 8.080 1.00 53.24 H new ATOM 0 HD2 LYS A 620 4.327 -6.052 9.091 1.00 72.55 H new ATOM 0 HD3 LYS A 620 5.640 -4.921 8.828 1.00 72.55 H new ATOM 0 HE2 LYS A 620 5.756 -5.789 11.108 1.00 52.02 H new ATOM 0 HE3 LYS A 620 5.391 -4.076 11.151 1.00 52.02 H new ATOM 0 HZ1 LYS A 620 4.036 -5.736 12.588 1.00 14.21 H new ATOM 0 HZ2 LYS A 620 3.241 -4.447 11.822 1.00 14.21 H new ATOM 0 HZ3 LYS A 620 3.165 -6.007 11.156 1.00 14.21 H new ATOM 911 N ASP A 621 3.020 0.028 8.744 1.00 2.24 N ATOM 912 CA ASP A 621 2.021 0.974 9.225 1.00 53.10 C ATOM 913 C ASP A 621 1.236 1.575 8.063 1.00 31.35 C ATOM 914 O ASP A 621 0.062 1.917 8.203 1.00 33.03 O ATOM 915 CB ASP A 621 2.688 2.087 10.034 1.00 64.13 C ATOM 916 CG ASP A 621 1.800 2.605 11.149 1.00 21.34 C ATOM 917 OD1 ASP A 621 0.612 2.880 10.880 1.00 44.52 O ATOM 918 OD2 ASP A 621 2.294 2.738 12.288 1.00 53.11 O ATOM 0 H ASP A 621 3.971 0.223 9.058 1.00 2.24 H new ATOM 0 HA ASP A 621 1.327 0.433 9.868 1.00 53.10 H new ATOM 0 HB2 ASP A 621 3.620 1.714 10.459 1.00 64.13 H new ATOM 0 HB3 ASP A 621 2.948 2.910 9.368 1.00 64.13 H new ATOM 922 N LYS A 622 1.894 1.701 6.914 1.00 53.05 N ATOM 923 CA LYS A 622 1.260 2.260 5.727 1.00 2.21 C ATOM 924 C LYS A 622 0.159 1.338 5.212 1.00 51.40 C ATOM 925 O LYS A 622 -0.912 1.797 4.815 1.00 3.35 O ATOM 926 CB LYS A 622 2.300 2.492 4.628 1.00 44.45 C ATOM 927 CG LYS A 622 2.680 3.952 4.448 1.00 5.21 C ATOM 928 CD LYS A 622 1.503 4.776 3.954 1.00 21.43 C ATOM 929 CE LYS A 622 1.029 4.306 2.588 1.00 13.52 C ATOM 930 NZ LYS A 622 2.145 4.240 1.604 1.00 65.14 N ATOM 0 H LYS A 622 2.866 1.423 6.781 1.00 53.05 H new ATOM 0 HA LYS A 622 0.812 3.215 6.002 1.00 2.21 H new ATOM 0 HB2 LYS A 622 3.197 1.918 4.861 1.00 44.45 H new ATOM 0 HB3 LYS A 622 1.912 2.107 3.685 1.00 44.45 H new ATOM 0 HG2 LYS A 622 3.036 4.356 5.396 1.00 5.21 H new ATOM 0 HG3 LYS A 622 3.504 4.030 3.738 1.00 5.21 H new ATOM 0 HD2 LYS A 622 0.683 4.706 4.669 1.00 21.43 H new ATOM 0 HD3 LYS A 622 1.790 5.826 3.899 1.00 21.43 H new ATOM 0 HE2 LYS A 622 0.570 3.322 2.682 1.00 13.52 H new ATOM 0 HE3 LYS A 622 0.259 4.983 2.218 1.00 13.52 H new ATOM 0 HZ1 LYS A 622 1.793 4.504 0.662 1.00 65.14 H new ATOM 0 HZ2 LYS A 622 2.899 4.897 1.889 1.00 65.14 H new ATOM 0 HZ3 LYS A 622 2.524 3.272 1.573 1.00 65.14 H new ATOM 940 N TRP A 623 0.430 0.038 5.225 1.00 1.12 N ATOM 941 CA TRP A 623 -0.539 -0.949 4.761 1.00 54.21 C ATOM 942 C TRP A 623 -1.748 -1.003 5.688 1.00 74.24 C ATOM 943 O TRP A 623 -2.893 -0.940 5.238 1.00 62.22 O ATOM 944 CB TRP A 623 0.112 -2.330 4.670 1.00 34.02 C ATOM 945 CG TRP A 623 -0.869 -3.433 4.413 1.00 61.11 C ATOM 946 CD1 TRP A 623 -1.543 -4.166 5.349 1.00 62.44 C ATOM 947 CD2 TRP A 623 -1.285 -3.931 3.137 1.00 55.32 C ATOM 948 NE1 TRP A 623 -2.352 -5.088 4.731 1.00 5.13 N ATOM 949 CE2 TRP A 623 -2.213 -4.964 3.374 1.00 64.23 C ATOM 950 CE3 TRP A 623 -0.966 -3.603 1.817 1.00 33.01 C ATOM 951 CZ2 TRP A 623 -2.822 -5.669 2.339 1.00 65.41 C ATOM 952 CZ3 TRP A 623 -1.571 -4.304 0.791 1.00 23.30 C ATOM 953 CH2 TRP A 623 -2.490 -5.327 1.057 1.00 22.25 C ATOM 0 H TRP A 623 1.312 -0.357 5.551 1.00 1.12 H new ATOM 0 HA TRP A 623 -0.879 -0.649 3.769 1.00 54.21 H new ATOM 0 HB2 TRP A 623 0.855 -2.322 3.873 1.00 34.02 H new ATOM 0 HB3 TRP A 623 0.643 -2.535 5.599 1.00 34.02 H new ATOM 0 HD1 TRP A 623 -1.453 -4.039 6.418 1.00 62.44 H new ATOM 0 HE1 TRP A 623 -2.958 -5.757 5.206 1.00 5.13 H new ATOM 0 HE3 TRP A 623 -0.259 -2.815 1.602 1.00 33.01 H new ATOM 0 HZ2 TRP A 623 -3.531 -6.458 2.541 1.00 65.41 H new ATOM 0 HZ3 TRP A 623 -1.331 -4.059 -0.233 1.00 23.30 H new ATOM 0 HH2 TRP A 623 -2.946 -5.856 0.233 1.00 22.25 H new ATOM 963 N LYS A 624 -1.488 -1.119 6.986 1.00 4.35 N ATOM 964 CA LYS A 624 -2.555 -1.181 7.978 1.00 24.22 C ATOM 965 C LYS A 624 -3.576 -0.072 7.748 1.00 34.32 C ATOM 966 O LYS A 624 -4.769 -0.334 7.592 1.00 31.21 O ATOM 967 CB LYS A 624 -1.974 -1.069 9.390 1.00 30.44 C ATOM 968 CG LYS A 624 -1.465 -2.389 9.944 1.00 15.01 C ATOM 969 CD LYS A 624 -0.159 -2.804 9.288 1.00 14.15 C ATOM 970 CE LYS A 624 0.309 -4.161 9.788 1.00 22.12 C ATOM 971 NZ LYS A 624 -0.759 -5.193 9.674 1.00 23.30 N ATOM 0 H LYS A 624 -0.547 -1.172 7.376 1.00 4.35 H new ATOM 0 HA LYS A 624 -3.059 -2.142 7.874 1.00 24.22 H new ATOM 0 HB2 LYS A 624 -1.156 -0.348 9.381 1.00 30.44 H new ATOM 0 HB3 LYS A 624 -2.739 -0.675 10.059 1.00 30.44 H new ATOM 0 HG2 LYS A 624 -1.320 -2.301 11.021 1.00 15.01 H new ATOM 0 HG3 LYS A 624 -2.215 -3.164 9.786 1.00 15.01 H new ATOM 0 HD2 LYS A 624 -0.289 -2.839 8.206 1.00 14.15 H new ATOM 0 HD3 LYS A 624 0.606 -2.056 9.493 1.00 14.15 H new ATOM 0 HE2 LYS A 624 1.182 -4.477 9.217 1.00 22.12 H new ATOM 0 HE3 LYS A 624 0.623 -4.076 10.828 1.00 22.12 H new ATOM 0 HZ1 LYS A 624 -0.335 -6.140 9.745 1.00 23.30 H new ATOM 0 HZ2 LYS A 624 -1.450 -5.064 10.441 1.00 23.30 H new ATOM 0 HZ3 LYS A 624 -1.239 -5.096 8.756 1.00 23.30 H new ATOM 981 N THR A 625 -3.100 1.170 7.727 1.00 31.34 N ATOM 982 CA THR A 625 -3.971 2.319 7.515 1.00 53.12 C ATOM 983 C THR A 625 -4.643 2.256 6.149 1.00 1.12 C ATOM 984 O THR A 625 -5.746 2.771 5.963 1.00 51.11 O ATOM 985 CB THR A 625 -3.193 3.643 7.632 1.00 21.22 C ATOM 986 OG1 THR A 625 -4.091 4.751 7.514 1.00 14.04 O ATOM 987 CG2 THR A 625 -2.120 3.736 6.557 1.00 74.41 C ATOM 0 H THR A 625 -2.116 1.405 7.854 1.00 31.34 H new ATOM 0 HA THR A 625 -4.734 2.285 8.293 1.00 53.12 H new ATOM 0 HB THR A 625 -2.710 3.670 8.609 1.00 21.22 H new ATOM 0 HG1 THR A 625 -3.589 5.589 7.591 1.00 14.04 H new ATOM 0 HG21 THR A 625 -1.583 4.679 6.659 1.00 74.41 H new ATOM 0 HG22 THR A 625 -1.421 2.907 6.668 1.00 74.41 H new ATOM 0 HG23 THR A 625 -2.586 3.688 5.573 1.00 74.41 H new ATOM 995 N LEU A 626 -3.972 1.621 5.194 1.00 24.30 N ATOM 996 CA LEU A 626 -4.505 1.489 3.842 1.00 31.14 C ATOM 997 C LEU A 626 -5.768 0.635 3.836 1.00 34.13 C ATOM 998 O LEU A 626 -6.779 1.008 3.238 1.00 25.22 O ATOM 999 CB LEU A 626 -3.454 0.873 2.917 1.00 4.10 C ATOM 1000 CG LEU A 626 -3.110 1.677 1.662 1.00 2.44 C ATOM 1001 CD1 LEU A 626 -1.938 1.043 0.927 1.00 53.02 C ATOM 1002 CD2 LEU A 626 -4.322 1.781 0.747 1.00 41.35 C ATOM 0 H LEU A 626 -3.058 1.189 5.331 1.00 24.30 H new ATOM 0 HA LEU A 626 -4.761 2.485 3.479 1.00 31.14 H new ATOM 0 HB2 LEU A 626 -2.539 0.722 3.490 1.00 4.10 H new ATOM 0 HB3 LEU A 626 -3.803 -0.112 2.609 1.00 4.10 H new ATOM 0 HG LEU A 626 -2.821 2.683 1.966 1.00 2.44 H new ATOM 0 HD11 LEU A 626 -1.707 1.628 0.037 1.00 53.02 H new ATOM 0 HD12 LEU A 626 -1.067 1.020 1.582 1.00 53.02 H new ATOM 0 HD13 LEU A 626 -2.199 0.026 0.635 1.00 53.02 H new ATOM 0 HD21 LEU A 626 -4.059 2.356 -0.141 1.00 41.35 H new ATOM 0 HD22 LEU A 626 -4.641 0.782 0.451 1.00 41.35 H new ATOM 0 HD23 LEU A 626 -5.135 2.280 1.275 1.00 41.35 H new ATOM 1013 N VAL A 627 -5.705 -0.511 4.507 1.00 14.25 N ATOM 1014 CA VAL A 627 -6.847 -1.416 4.580 1.00 62.33 C ATOM 1015 C VAL A 627 -8.062 -0.720 5.184 1.00 23.13 C ATOM 1016 O VAL A 627 -9.137 -0.692 4.583 1.00 64.41 O ATOM 1017 CB VAL A 627 -6.516 -2.666 5.417 1.00 1.21 C ATOM 1018 CG1 VAL A 627 -7.763 -3.512 5.628 1.00 42.32 C ATOM 1019 CG2 VAL A 627 -5.418 -3.479 4.750 1.00 20.52 C ATOM 0 H VAL A 627 -4.877 -0.835 5.007 1.00 14.25 H new ATOM 0 HA VAL A 627 -7.078 -1.720 3.559 1.00 62.33 H new ATOM 0 HB VAL A 627 -6.155 -2.343 6.393 1.00 1.21 H new ATOM 0 HG11 VAL A 627 -7.510 -4.391 6.221 1.00 42.32 H new ATOM 0 HG12 VAL A 627 -8.517 -2.925 6.152 1.00 42.32 H new ATOM 0 HG13 VAL A 627 -8.156 -3.827 4.662 1.00 42.32 H new ATOM 0 HG21 VAL A 627 -5.197 -4.358 5.355 1.00 20.52 H new ATOM 0 HG22 VAL A 627 -5.749 -3.794 3.760 1.00 20.52 H new ATOM 0 HG23 VAL A 627 -4.520 -2.869 4.656 1.00 20.52 H new ATOM 1029 N HIS A 628 -7.885 -0.159 6.375 1.00 62.45 N ATOM 1030 CA HIS A 628 -8.967 0.538 7.060 1.00 42.45 C ATOM 1031 C HIS A 628 -9.588 1.599 6.156 1.00 45.15 C ATOM 1032 O HIS A 628 -10.781 1.890 6.252 1.00 33.14 O ATOM 1033 CB HIS A 628 -8.452 1.186 8.347 1.00 11.04 C ATOM 1034 CG HIS A 628 -8.246 0.213 9.466 1.00 54.42 C ATOM 1035 ND1 HIS A 628 -7.627 -1.007 9.299 1.00 45.44 N ATOM 1036 CD2 HIS A 628 -8.582 0.286 10.775 1.00 61.23 C ATOM 1037 CE1 HIS A 628 -7.591 -1.643 10.457 1.00 51.44 C ATOM 1038 NE2 HIS A 628 -8.164 -0.879 11.370 1.00 32.21 N ATOM 0 H HIS A 628 -7.002 -0.173 6.886 1.00 62.45 H new ATOM 0 HA HIS A 628 -9.734 -0.194 7.313 1.00 42.45 H new ATOM 0 HB2 HIS A 628 -7.509 1.691 8.138 1.00 11.04 H new ATOM 0 HB3 HIS A 628 -9.159 1.951 8.667 1.00 11.04 H new ATOM 0 HD2 HIS A 628 -9.086 1.108 11.262 1.00 61.23 H new ATOM 0 HE1 HIS A 628 -7.166 -2.621 10.628 1.00 51.44 H new ATOM 0 HE2 HIS A 628 -8.277 -1.116 12.356 1.00 32.21 H new ATOM 1045 N THR A 629 -8.771 2.174 5.279 1.00 3.23 N ATOM 1046 CA THR A 629 -9.239 3.203 4.360 1.00 14.40 C ATOM 1047 C THR A 629 -10.118 2.605 3.267 1.00 13.53 C ATOM 1048 O THR A 629 -11.020 3.266 2.752 1.00 53.10 O ATOM 1049 CB THR A 629 -8.062 3.949 3.705 1.00 25.14 C ATOM 1050 OG1 THR A 629 -7.339 4.690 4.694 1.00 5.40 O ATOM 1051 CG2 THR A 629 -8.556 4.892 2.618 1.00 10.22 C ATOM 0 H THR A 629 -7.782 1.944 5.186 1.00 3.23 H new ATOM 0 HA THR A 629 -9.825 3.909 4.948 1.00 14.40 H new ATOM 0 HB THR A 629 -7.401 3.211 3.251 1.00 25.14 H new ATOM 0 HG1 THR A 629 -6.751 4.084 5.191 1.00 5.40 H new ATOM 0 HG21 THR A 629 -7.707 5.408 2.170 1.00 10.22 H new ATOM 0 HG22 THR A 629 -9.079 4.321 1.851 1.00 10.22 H new ATOM 0 HG23 THR A 629 -9.236 5.624 3.053 1.00 10.22 H new ATOM 1059 N ALA A 630 -9.851 1.351 2.918 1.00 64.41 N ATOM 1060 CA ALA A 630 -10.619 0.663 1.888 1.00 55.55 C ATOM 1061 C ALA A 630 -12.113 0.711 2.195 1.00 14.50 C ATOM 1062 O ALA A 630 -12.920 1.075 1.339 1.00 73.22 O ATOM 1063 CB ALA A 630 -10.153 -0.779 1.755 1.00 73.44 C ATOM 0 H ALA A 630 -9.108 0.790 3.334 1.00 64.41 H new ATOM 0 HA ALA A 630 -10.451 1.176 0.941 1.00 55.55 H new ATOM 0 HB1 ALA A 630 -10.736 -1.280 0.982 1.00 73.44 H new ATOM 0 HB2 ALA A 630 -9.098 -0.797 1.483 1.00 73.44 H new ATOM 0 HB3 ALA A 630 -10.291 -1.295 2.705 1.00 73.44 H new ATOM 1069 N SER A 631 -12.474 0.342 3.420 1.00 1.51 N ATOM 1070 CA SER A 631 -13.871 0.339 3.837 1.00 2.44 C ATOM 1071 C SER A 631 -14.025 -0.299 5.214 1.00 61.11 C ATOM 1072 O SER A 631 -14.603 -1.378 5.349 1.00 65.13 O ATOM 1073 CB SER A 631 -14.728 -0.412 2.816 1.00 54.42 C ATOM 1074 OG SER A 631 -16.005 -0.718 3.349 1.00 42.33 O ATOM 0 H SER A 631 -11.818 0.041 4.141 1.00 1.51 H new ATOM 0 HA SER A 631 -14.210 1.373 3.895 1.00 2.44 H new ATOM 0 HB2 SER A 631 -14.841 0.193 1.916 1.00 54.42 H new ATOM 0 HB3 SER A 631 -14.224 -1.332 2.520 1.00 54.42 H new ATOM 0 HG SER A 631 -15.900 -1.262 4.157 1.00 42.33 H new ATOM 1079 N ILE A 632 -13.505 0.377 6.233 1.00 4.40 N ATOM 1080 CA ILE A 632 -13.585 -0.123 7.600 1.00 54.14 C ATOM 1081 C ILE A 632 -14.180 0.927 8.534 1.00 44.12 C ATOM 1082 O ILE A 632 -15.341 0.832 8.931 1.00 52.22 O ATOM 1083 CB ILE A 632 -12.201 -0.539 8.130 1.00 20.31 C ATOM 1084 CG1 ILE A 632 -11.748 -1.841 7.467 1.00 2.12 C ATOM 1085 CG2 ILE A 632 -12.237 -0.694 9.643 1.00 23.45 C ATOM 1086 CD1 ILE A 632 -11.385 -1.681 6.007 1.00 1.23 C ATOM 0 H ILE A 632 -13.024 1.272 6.138 1.00 4.40 H new ATOM 0 HA ILE A 632 -14.234 -0.998 7.579 1.00 54.14 H new ATOM 0 HB ILE A 632 -11.483 0.243 7.882 1.00 20.31 H new ATOM 0 HG12 ILE A 632 -10.886 -2.233 8.007 1.00 2.12 H new ATOM 0 HG13 ILE A 632 -12.544 -2.581 7.556 1.00 2.12 H new ATOM 0 HG21 ILE A 632 -11.251 -0.988 10.002 1.00 23.45 H new ATOM 0 HG22 ILE A 632 -12.521 0.254 10.099 1.00 23.45 H new ATOM 0 HG23 ILE A 632 -12.965 -1.459 9.913 1.00 23.45 H new ATOM 0 HD11 ILE A 632 -11.073 -2.644 5.602 1.00 1.23 H new ATOM 0 HD12 ILE A 632 -12.252 -1.318 5.454 1.00 1.23 H new ATOM 0 HD13 ILE A 632 -10.568 -0.965 5.911 1.00 1.23 H new ATOM 1097 N ALA A 633 -13.376 1.926 8.881 1.00 14.10 N ATOM 1098 CA ALA A 633 -13.823 2.996 9.765 1.00 4.41 C ATOM 1099 C ALA A 633 -14.122 4.268 8.980 1.00 32.32 C ATOM 1100 O ALA A 633 -13.454 4.592 7.997 1.00 51.14 O ATOM 1101 CB ALA A 633 -12.777 3.268 10.835 1.00 45.11 C ATOM 0 H ALA A 633 -12.411 2.017 8.563 1.00 14.10 H new ATOM 0 HA ALA A 633 -14.745 2.673 10.248 1.00 4.41 H new ATOM 0 HB1 ALA A 633 -13.124 4.069 11.488 1.00 45.11 H new ATOM 0 HB2 ALA A 633 -12.615 2.365 11.423 1.00 45.11 H new ATOM 0 HB3 ALA A 633 -11.841 3.565 10.362 1.00 45.11 H new ATOM 1210 N PRO A 641 -9.009 12.177 -1.771 1.00 74.32 N ATOM 1211 CA PRO A 641 -9.712 11.069 -2.423 1.00 24.11 C ATOM 1212 C PRO A 641 -8.803 9.867 -2.662 1.00 0.22 C ATOM 1213 O PRO A 641 -7.779 9.975 -3.336 1.00 2.12 O ATOM 1214 CB PRO A 641 -10.163 11.671 -3.756 1.00 5.35 C ATOM 1215 CG PRO A 641 -9.196 12.771 -4.022 1.00 14.12 C ATOM 1216 CD PRO A 641 -8.818 13.323 -2.676 1.00 64.41 C ATOM 0 HA PRO A 641 -10.531 10.690 -1.812 1.00 24.11 H new ATOM 0 HB2 PRO A 641 -10.145 10.927 -4.552 1.00 5.35 H new ATOM 0 HB3 PRO A 641 -11.184 12.048 -3.695 1.00 5.35 H new ATOM 0 HG2 PRO A 641 -8.319 12.400 -4.552 1.00 14.12 H new ATOM 0 HG3 PRO A 641 -9.644 13.542 -4.648 1.00 14.12 H new ATOM 0 HD2 PRO A 641 -7.788 13.678 -2.662 1.00 64.41 H new ATOM 0 HD3 PRO A 641 -9.450 14.166 -2.396 1.00 64.41 H new ATOM 1221 N VAL A 642 -9.186 8.722 -2.105 1.00 4.14 N ATOM 1222 CA VAL A 642 -8.406 7.499 -2.259 1.00 40.44 C ATOM 1223 C VAL A 642 -8.889 6.686 -3.455 1.00 35.55 C ATOM 1224 O VAL A 642 -10.084 6.457 -3.640 1.00 20.30 O ATOM 1225 CB VAL A 642 -8.481 6.623 -0.994 1.00 62.54 C ATOM 1226 CG1 VAL A 642 -7.371 5.583 -0.999 1.00 52.23 C ATOM 1227 CG2 VAL A 642 -8.408 7.486 0.256 1.00 74.32 C ATOM 0 H VAL A 642 -10.031 8.616 -1.544 1.00 4.14 H new ATOM 0 HA VAL A 642 -7.372 7.802 -2.422 1.00 40.44 H new ATOM 0 HB VAL A 642 -9.437 6.100 -0.991 1.00 62.54 H new ATOM 0 HG11 VAL A 642 -7.440 4.973 -0.098 1.00 52.23 H new ATOM 0 HG12 VAL A 642 -7.474 4.946 -1.877 1.00 52.23 H new ATOM 0 HG13 VAL A 642 -6.403 6.084 -1.025 1.00 52.23 H new ATOM 0 HG21 VAL A 642 -8.462 6.851 1.140 1.00 74.32 H new ATOM 0 HG22 VAL A 642 -7.468 8.038 0.263 1.00 74.32 H new ATOM 0 HG23 VAL A 642 -9.241 8.189 0.262 1.00 74.32 H new ATOM 1237 N PRO A 643 -7.937 6.240 -4.289 1.00 11.30 N ATOM 1238 CA PRO A 643 -8.241 5.445 -5.482 1.00 23.14 C ATOM 1239 C PRO A 643 -8.733 4.044 -5.136 1.00 42.40 C ATOM 1240 O PRO A 643 -8.097 3.327 -4.364 1.00 1.14 O ATOM 1241 CB PRO A 643 -6.898 5.374 -6.213 1.00 72.11 C ATOM 1242 CG PRO A 643 -5.876 5.552 -5.144 1.00 61.34 C ATOM 1243 CD PRO A 643 -6.493 6.476 -4.130 1.00 61.42 C ATOM 0 HA PRO A 643 -9.041 5.889 -6.074 1.00 23.14 H new ATOM 0 HB2 PRO A 643 -6.775 4.419 -6.723 1.00 72.11 H new ATOM 0 HB3 PRO A 643 -6.818 6.153 -6.971 1.00 72.11 H new ATOM 0 HG2 PRO A 643 -5.614 4.596 -4.692 1.00 61.34 H new ATOM 0 HG3 PRO A 643 -4.957 5.975 -5.549 1.00 61.34 H new ATOM 0 HD2 PRO A 643 -6.157 6.245 -3.119 1.00 61.42 H new ATOM 0 HD3 PRO A 643 -6.232 7.517 -4.323 1.00 61.42 H new ATOM 1248 N GLN A 644 -9.868 3.661 -5.711 1.00 13.43 N ATOM 1249 CA GLN A 644 -10.445 2.345 -5.462 1.00 54.30 C ATOM 1250 C GLN A 644 -9.534 1.242 -5.991 1.00 14.32 C ATOM 1251 O GLN A 644 -9.635 0.089 -5.575 1.00 4.11 O ATOM 1252 CB GLN A 644 -11.826 2.239 -6.112 1.00 41.53 C ATOM 1253 CG GLN A 644 -12.652 1.069 -5.599 1.00 62.41 C ATOM 1254 CD GLN A 644 -14.127 1.213 -5.915 1.00 53.04 C ATOM 1255 OE1 GLN A 644 -14.503 1.563 -7.034 1.00 74.04 O ATOM 1256 NE2 GLN A 644 -14.973 0.943 -4.928 1.00 21.12 N ATOM 0 H GLN A 644 -10.407 4.243 -6.353 1.00 13.43 H new ATOM 0 HA GLN A 644 -10.548 2.219 -4.384 1.00 54.30 H new ATOM 0 HB2 GLN A 644 -12.374 3.165 -5.935 1.00 41.53 H new ATOM 0 HB3 GLN A 644 -11.704 2.142 -7.191 1.00 41.53 H new ATOM 0 HG2 GLN A 644 -12.279 0.145 -6.040 1.00 62.41 H new ATOM 0 HG3 GLN A 644 -12.522 0.983 -4.520 1.00 62.41 H new ATOM 0 HE21 GLN A 644 -14.618 0.656 -4.016 1.00 21.12 H new ATOM 0 HE22 GLN A 644 -15.978 1.022 -5.082 1.00 21.12 H new ATOM 1263 N ASP A 645 -8.648 1.606 -6.911 1.00 24.10 N ATOM 1264 CA ASP A 645 -7.718 0.648 -7.497 1.00 3.44 C ATOM 1265 C ASP A 645 -6.823 0.033 -6.426 1.00 51.40 C ATOM 1266 O ASP A 645 -6.616 -1.181 -6.397 1.00 42.13 O ATOM 1267 CB ASP A 645 -6.861 1.325 -8.567 1.00 10.04 C ATOM 1268 CG ASP A 645 -5.980 0.341 -9.312 1.00 22.02 C ATOM 1269 OD1 ASP A 645 -6.529 -0.547 -9.998 1.00 60.42 O ATOM 1270 OD2 ASP A 645 -4.741 0.460 -9.209 1.00 50.43 O ATOM 0 H ASP A 645 -8.554 2.557 -7.267 1.00 24.10 H new ATOM 0 HA ASP A 645 -8.301 -0.149 -7.959 1.00 3.44 H new ATOM 0 HB2 ASP A 645 -7.510 1.837 -9.277 1.00 10.04 H new ATOM 0 HB3 ASP A 645 -6.236 2.086 -8.100 1.00 10.04 H new ATOM 1274 N LEU A 646 -6.296 0.878 -5.547 1.00 62.33 N ATOM 1275 CA LEU A 646 -5.421 0.418 -4.474 1.00 53.32 C ATOM 1276 C LEU A 646 -6.226 -0.260 -3.369 1.00 30.52 C ATOM 1277 O LEU A 646 -5.937 -1.394 -2.982 1.00 54.04 O ATOM 1278 CB LEU A 646 -4.629 1.592 -3.896 1.00 72.22 C ATOM 1279 CG LEU A 646 -3.920 2.487 -4.912 1.00 24.45 C ATOM 1280 CD1 LEU A 646 -3.051 3.515 -4.203 1.00 52.23 C ATOM 1281 CD2 LEU A 646 -3.083 1.649 -5.868 1.00 61.41 C ATOM 0 H LEU A 646 -6.459 1.885 -5.556 1.00 62.33 H new ATOM 0 HA LEU A 646 -4.726 -0.310 -4.892 1.00 53.32 H new ATOM 0 HB2 LEU A 646 -5.309 2.210 -3.310 1.00 72.22 H new ATOM 0 HB3 LEU A 646 -3.883 1.197 -3.207 1.00 72.22 H new ATOM 0 HG LEU A 646 -4.677 3.017 -5.491 1.00 24.45 H new ATOM 0 HD11 LEU A 646 -2.554 4.143 -4.942 1.00 52.23 H new ATOM 0 HD12 LEU A 646 -3.674 4.136 -3.559 1.00 52.23 H new ATOM 0 HD13 LEU A 646 -2.302 3.003 -3.599 1.00 52.23 H new ATOM 0 HD21 LEU A 646 -2.585 2.303 -6.584 1.00 61.41 H new ATOM 0 HD22 LEU A 646 -2.335 1.092 -5.304 1.00 61.41 H new ATOM 0 HD23 LEU A 646 -3.729 0.951 -6.401 1.00 61.41 H new ATOM 1292 N LEU A 647 -7.237 0.440 -2.866 1.00 40.00 N ATOM 1293 CA LEU A 647 -8.086 -0.094 -1.807 1.00 2.11 C ATOM 1294 C LEU A 647 -8.626 -1.470 -2.184 1.00 3.25 C ATOM 1295 O LEU A 647 -8.791 -2.339 -1.329 1.00 45.25 O ATOM 1296 CB LEU A 647 -9.246 0.861 -1.525 1.00 71.24 C ATOM 1297 CG LEU A 647 -8.866 2.234 -0.969 1.00 21.32 C ATOM 1298 CD1 LEU A 647 -10.104 3.092 -0.771 1.00 12.32 C ATOM 1299 CD2 LEU A 647 -8.103 2.086 0.340 1.00 31.11 C ATOM 0 H LEU A 647 -7.489 1.379 -3.175 1.00 40.00 H new ATOM 0 HA LEU A 647 -7.480 -0.195 -0.907 1.00 2.11 H new ATOM 0 HB2 LEU A 647 -9.803 1.008 -2.451 1.00 71.24 H new ATOM 0 HB3 LEU A 647 -9.923 0.380 -0.819 1.00 71.24 H new ATOM 0 HG LEU A 647 -8.218 2.730 -1.691 1.00 21.32 H new ATOM 0 HD11 LEU A 647 -9.813 4.065 -0.375 1.00 12.32 H new ATOM 0 HD12 LEU A 647 -10.610 3.226 -1.727 1.00 12.32 H new ATOM 0 HD13 LEU A 647 -10.778 2.601 -0.069 1.00 12.32 H new ATOM 0 HD21 LEU A 647 -7.840 3.073 0.722 1.00 31.11 H new ATOM 0 HD22 LEU A 647 -8.728 1.569 1.069 1.00 31.11 H new ATOM 0 HD23 LEU A 647 -7.194 1.510 0.168 1.00 31.11 H new ATOM 1310 N ASP A 648 -8.897 -1.661 -3.471 1.00 40.13 N ATOM 1311 CA ASP A 648 -9.414 -2.933 -3.963 1.00 55.52 C ATOM 1312 C ASP A 648 -8.337 -4.012 -3.919 1.00 21.31 C ATOM 1313 O ASP A 648 -8.584 -5.131 -3.471 1.00 24.43 O ATOM 1314 CB ASP A 648 -9.940 -2.776 -5.391 1.00 61.23 C ATOM 1315 CG ASP A 648 -10.577 -4.048 -5.916 1.00 74.24 C ATOM 1316 OD1 ASP A 648 -11.741 -4.320 -5.556 1.00 11.42 O ATOM 1317 OD2 ASP A 648 -9.911 -4.769 -6.688 1.00 15.41 O ATOM 0 H ASP A 648 -8.767 -0.951 -4.192 1.00 40.13 H new ATOM 0 HA ASP A 648 -10.234 -3.239 -3.314 1.00 55.52 H new ATOM 0 HB2 ASP A 648 -10.671 -1.968 -5.419 1.00 61.23 H new ATOM 0 HB3 ASP A 648 -9.120 -2.486 -6.048 1.00 61.23 H new ATOM 1321 N ARG A 649 -7.143 -3.666 -4.389 1.00 3.35 N ATOM 1322 CA ARG A 649 -6.028 -4.606 -4.407 1.00 44.45 C ATOM 1323 C ARG A 649 -5.605 -4.975 -2.987 1.00 31.45 C ATOM 1324 O ARG A 649 -5.231 -6.116 -2.716 1.00 72.42 O ATOM 1325 CB ARG A 649 -4.842 -4.010 -5.166 1.00 60.12 C ATOM 1326 CG ARG A 649 -5.021 -4.012 -6.675 1.00 25.15 C ATOM 1327 CD ARG A 649 -3.818 -3.405 -7.380 1.00 32.31 C ATOM 1328 NE ARG A 649 -4.119 -3.040 -8.761 1.00 71.24 N ATOM 1329 CZ ARG A 649 -3.193 -2.691 -9.648 1.00 45.43 C ATOM 1330 NH1 ARG A 649 -1.914 -2.662 -9.300 1.00 52.22 N ATOM 1331 NH2 ARG A 649 -3.547 -2.372 -10.887 1.00 62.40 N ATOM 0 H ARG A 649 -6.923 -2.743 -4.762 1.00 3.35 H new ATOM 0 HA ARG A 649 -6.357 -5.512 -4.916 1.00 44.45 H new ATOM 0 HB2 ARG A 649 -4.684 -2.986 -4.829 1.00 60.12 H new ATOM 0 HB3 ARG A 649 -3.942 -4.571 -4.915 1.00 60.12 H new ATOM 0 HG2 ARG A 649 -5.171 -5.034 -7.023 1.00 25.15 H new ATOM 0 HG3 ARG A 649 -5.918 -3.451 -6.937 1.00 25.15 H new ATOM 0 HD2 ARG A 649 -3.487 -2.521 -6.835 1.00 32.31 H new ATOM 0 HD3 ARG A 649 -2.992 -4.116 -7.365 1.00 32.31 H new ATOM 0 HE ARG A 649 -5.094 -3.054 -9.062 1.00 71.24 H new ATOM 0 HH11 ARG A 649 -1.638 -2.908 -8.349 1.00 52.22 H new ATOM 0 HH12 ARG A 649 -1.206 -2.394 -9.983 1.00 52.22 H new ATOM 0 HH21 ARG A 649 -4.530 -2.395 -11.158 1.00 62.40 H new ATOM 0 HH22 ARG A 649 -2.836 -2.104 -11.568 1.00 62.40 H new ATOM 1342 N VAL A 650 -5.667 -4.000 -2.086 1.00 71.00 N ATOM 1343 CA VAL A 650 -5.291 -4.221 -0.695 1.00 52.43 C ATOM 1344 C VAL A 650 -6.222 -5.227 -0.026 1.00 31.43 C ATOM 1345 O VAL A 650 -5.771 -6.183 0.604 1.00 60.20 O ATOM 1346 CB VAL A 650 -5.313 -2.906 0.108 1.00 3.14 C ATOM 1347 CG1 VAL A 650 -5.224 -3.189 1.600 1.00 44.11 C ATOM 1348 CG2 VAL A 650 -4.181 -1.992 -0.337 1.00 20.20 C ATOM 0 H VAL A 650 -5.974 -3.050 -2.294 1.00 71.00 H new ATOM 0 HA VAL A 650 -4.276 -4.618 -0.701 1.00 52.43 H new ATOM 0 HB VAL A 650 -6.258 -2.398 -0.085 1.00 3.14 H new ATOM 0 HG11 VAL A 650 -5.241 -2.248 2.150 1.00 44.11 H new ATOM 0 HG12 VAL A 650 -6.071 -3.803 1.905 1.00 44.11 H new ATOM 0 HG13 VAL A 650 -4.296 -3.719 1.815 1.00 44.11 H new ATOM 0 HG21 VAL A 650 -4.211 -1.068 0.240 1.00 20.20 H new ATOM 0 HG22 VAL A 650 -3.225 -2.490 -0.174 1.00 20.20 H new ATOM 0 HG23 VAL A 650 -4.294 -1.762 -1.396 1.00 20.20 H new ATOM 1358 N LEU A 651 -7.523 -5.004 -0.169 1.00 11.43 N ATOM 1359 CA LEU A 651 -8.521 -5.892 0.421 1.00 32.44 C ATOM 1360 C LEU A 651 -8.417 -7.294 -0.171 1.00 52.33 C ATOM 1361 O LEU A 651 -8.732 -8.282 0.492 1.00 14.42 O ATOM 1362 CB LEU A 651 -9.927 -5.332 0.196 1.00 23.55 C ATOM 1363 CG LEU A 651 -10.652 -4.820 1.440 1.00 43.43 C ATOM 1364 CD1 LEU A 651 -9.744 -3.907 2.250 1.00 2.11 C ATOM 1365 CD2 LEU A 651 -11.932 -4.094 1.051 1.00 23.40 C ATOM 0 H LEU A 651 -7.913 -4.217 -0.688 1.00 11.43 H new ATOM 0 HA LEU A 651 -8.330 -5.955 1.492 1.00 32.44 H new ATOM 0 HB2 LEU A 651 -9.860 -4.516 -0.523 1.00 23.55 H new ATOM 0 HB3 LEU A 651 -10.538 -6.111 -0.261 1.00 23.55 H new ATOM 0 HG LEU A 651 -10.918 -5.676 2.060 1.00 43.43 H new ATOM 0 HD11 LEU A 651 -10.278 -3.552 3.132 1.00 2.11 H new ATOM 0 HD12 LEU A 651 -8.857 -4.459 2.560 1.00 2.11 H new ATOM 0 HD13 LEU A 651 -9.446 -3.055 1.639 1.00 2.11 H new ATOM 0 HD21 LEU A 651 -12.435 -3.736 1.950 1.00 23.40 H new ATOM 0 HD22 LEU A 651 -11.689 -3.247 0.410 1.00 23.40 H new ATOM 0 HD23 LEU A 651 -12.590 -4.778 0.515 1.00 23.40 H new ATOM 1376 N ALA A 652 -7.974 -7.373 -1.420 1.00 32.21 N ATOM 1377 CA ALA A 652 -7.825 -8.654 -2.099 1.00 52.10 C ATOM 1378 C ALA A 652 -6.766 -9.515 -1.421 1.00 41.44 C ATOM 1379 O ALA A 652 -7.007 -10.681 -1.109 1.00 42.23 O ATOM 1380 CB ALA A 652 -7.474 -8.438 -3.564 1.00 62.41 C ATOM 0 H ALA A 652 -7.712 -6.564 -1.983 1.00 32.21 H new ATOM 0 HA ALA A 652 -8.777 -9.181 -2.039 1.00 52.10 H new ATOM 0 HB1 ALA A 652 -7.366 -9.403 -4.058 1.00 62.41 H new ATOM 0 HB2 ALA A 652 -8.268 -7.869 -4.048 1.00 62.41 H new ATOM 0 HB3 ALA A 652 -6.537 -7.886 -3.636 1.00 62.41 H new ATOM 1386 N ALA A 653 -5.592 -8.934 -1.195 1.00 33.34 N ATOM 1387 CA ALA A 653 -4.496 -9.649 -0.552 1.00 33.25 C ATOM 1388 C ALA A 653 -4.733 -9.781 0.948 1.00 43.40 C ATOM 1389 O ALA A 653 -4.490 -10.837 1.534 1.00 1.43 O ATOM 1390 CB ALA A 653 -3.176 -8.941 -0.820 1.00 53.22 C ATOM 0 H ALA A 653 -5.376 -7.970 -1.448 1.00 33.34 H new ATOM 0 HA ALA A 653 -4.450 -10.652 -0.976 1.00 33.25 H new ATOM 0 HB1 ALA A 653 -2.366 -9.485 -0.334 1.00 53.22 H new ATOM 0 HB2 ALA A 653 -2.995 -8.903 -1.894 1.00 53.22 H new ATOM 0 HB3 ALA A 653 -3.220 -7.927 -0.424 1.00 53.22 H new ATOM 1396 N HIS A 654 -5.208 -8.704 1.565 1.00 42.32 N ATOM 1397 CA HIS A 654 -5.478 -8.700 2.998 1.00 65.24 C ATOM 1398 C HIS A 654 -6.411 -9.847 3.379 1.00 32.22 C ATOM 1399 O HIS A 654 -6.160 -10.570 4.342 1.00 51.23 O ATOM 1400 CB HIS A 654 -6.092 -7.366 3.420 1.00 34.13 C ATOM 1401 CG HIS A 654 -6.596 -7.357 4.831 1.00 23.52 C ATOM 1402 ND1 HIS A 654 -5.804 -7.029 5.910 1.00 73.20 N ATOM 1403 CD2 HIS A 654 -7.821 -7.637 5.335 1.00 63.40 C ATOM 1404 CE1 HIS A 654 -6.519 -7.109 7.018 1.00 45.01 C ATOM 1405 NE2 HIS A 654 -7.746 -7.476 6.697 1.00 72.11 N ATOM 0 H HIS A 654 -5.414 -7.823 1.095 1.00 42.32 H new ATOM 0 HA HIS A 654 -4.531 -8.836 3.521 1.00 65.24 H new ATOM 0 HB2 HIS A 654 -5.346 -6.580 3.304 1.00 34.13 H new ATOM 0 HB3 HIS A 654 -6.915 -7.126 2.747 1.00 34.13 H new ATOM 0 HD2 HIS A 654 -8.694 -7.932 4.771 1.00 63.40 H new ATOM 0 HE1 HIS A 654 -6.161 -6.908 8.017 1.00 45.01 H new ATOM 0 HE2 HIS A 654 -8.514 -7.617 7.354 1.00 72.11 H new ATOM 1412 N ALA A 655 -7.487 -10.005 2.615 1.00 53.21 N ATOM 1413 CA ALA A 655 -8.456 -11.063 2.871 1.00 75.03 C ATOM 1414 C ALA A 655 -7.897 -12.427 2.478 1.00 71.42 C ATOM 1415 O ALA A 655 -7.999 -13.392 3.237 1.00 31.34 O ATOM 1416 CB ALA A 655 -9.751 -10.785 2.121 1.00 2.41 C ATOM 0 H ALA A 655 -7.709 -9.414 1.814 1.00 53.21 H new ATOM 0 HA ALA A 655 -8.665 -11.080 3.941 1.00 75.03 H new ATOM 0 HB1 ALA A 655 -10.466 -11.583 2.321 1.00 2.41 H new ATOM 0 HB2 ALA A 655 -10.167 -9.834 2.453 1.00 2.41 H new ATOM 0 HB3 ALA A 655 -9.549 -10.739 1.051 1.00 2.41 H new ATOM 1422 N TYR A 656 -7.308 -12.499 1.291 1.00 33.11 N ATOM 1423 CA TYR A 656 -6.735 -13.745 0.796 1.00 62.13 C ATOM 1424 C TYR A 656 -5.740 -14.323 1.798 1.00 2.44 C ATOM 1425 O TYR A 656 -5.812 -15.501 2.152 1.00 33.32 O ATOM 1426 CB TYR A 656 -6.046 -13.516 -0.549 1.00 33.54 C ATOM 1427 CG TYR A 656 -5.272 -14.716 -1.046 1.00 64.42 C ATOM 1428 CD1 TYR A 656 -5.910 -15.750 -1.719 1.00 43.02 C ATOM 1429 CD2 TYR A 656 -3.900 -14.816 -0.843 1.00 43.23 C ATOM 1430 CE1 TYR A 656 -5.207 -16.849 -2.173 1.00 3.23 C ATOM 1431 CE2 TYR A 656 -3.189 -15.911 -1.294 1.00 52.12 C ATOM 1432 CZ TYR A 656 -3.847 -16.925 -1.959 1.00 34.21 C ATOM 1433 OH TYR A 656 -3.142 -18.017 -2.411 1.00 74.02 O ATOM 0 H TYR A 656 -7.214 -11.709 0.653 1.00 33.11 H new ATOM 0 HA TYR A 656 -7.547 -14.460 0.663 1.00 62.13 H new ATOM 0 HB2 TYR A 656 -6.797 -13.246 -1.291 1.00 33.54 H new ATOM 0 HB3 TYR A 656 -5.367 -12.668 -0.460 1.00 33.54 H new ATOM 0 HD1 TYR A 656 -6.975 -15.694 -1.890 1.00 43.02 H new ATOM 0 HD2 TYR A 656 -3.381 -14.024 -0.324 1.00 43.23 H new ATOM 0 HE1 TYR A 656 -5.720 -17.645 -2.693 1.00 3.23 H new ATOM 0 HE2 TYR A 656 -2.124 -15.973 -1.127 1.00 52.12 H new ATOM 0 HH TYR A 656 -2.195 -17.914 -2.180 1.00 74.02 H new ATOM 1442 N TRP A 657 -4.815 -13.486 2.252 1.00 30.41 N ATOM 1443 CA TRP A 657 -3.805 -13.913 3.215 1.00 11.21 C ATOM 1444 C TRP A 657 -4.425 -14.145 4.588 1.00 53.31 C ATOM 1445 O TRP A 657 -4.033 -15.061 5.309 1.00 41.35 O ATOM 1446 CB TRP A 657 -2.692 -12.868 3.314 1.00 14.01 C ATOM 1447 CG TRP A 657 -1.863 -12.763 2.070 1.00 41.32 C ATOM 1448 CD1 TRP A 657 -1.720 -11.666 1.270 1.00 50.11 C ATOM 1449 CD2 TRP A 657 -1.064 -13.797 1.483 1.00 54.35 C ATOM 1450 NE1 TRP A 657 -0.880 -11.955 0.221 1.00 41.14 N ATOM 1451 CE2 TRP A 657 -0.464 -13.255 0.330 1.00 64.13 C ATOM 1452 CE3 TRP A 657 -0.796 -15.126 1.822 1.00 13.33 C ATOM 1453 CZ2 TRP A 657 0.386 -13.999 -0.485 1.00 74.42 C ATOM 1454 CZ3 TRP A 657 0.047 -15.862 1.012 1.00 25.44 C ATOM 1455 CH2 TRP A 657 0.631 -15.297 -0.130 1.00 3.24 C ATOM 0 H TRP A 657 -4.743 -12.509 1.970 1.00 30.41 H new ATOM 0 HA TRP A 657 -3.381 -14.854 2.866 1.00 11.21 H new ATOM 0 HB2 TRP A 657 -3.135 -11.896 3.530 1.00 14.01 H new ATOM 0 HB3 TRP A 657 -2.044 -13.117 4.154 1.00 14.01 H new ATOM 0 HD1 TRP A 657 -2.197 -10.711 1.437 1.00 50.11 H new ATOM 0 HE1 TRP A 657 -0.610 -11.306 -0.519 1.00 41.14 H new ATOM 0 HE3 TRP A 657 -1.240 -15.570 2.701 1.00 13.33 H new ATOM 0 HZ2 TRP A 657 0.836 -13.566 -1.366 1.00 74.42 H new ATOM 0 HZ3 TRP A 657 0.260 -16.891 1.263 1.00 25.44 H new ATOM 0 HH2 TRP A 657 1.287 -15.898 -0.742 1.00 3.24 H new ATOM 1465 N SER A 658 -5.396 -13.309 4.943 1.00 35.22 N ATOM 1466 CA SER A 658 -6.068 -13.421 6.232 1.00 21.21 C ATOM 1467 C SER A 658 -6.621 -14.829 6.436 1.00 31.33 C ATOM 1468 O SER A 658 -6.689 -15.323 7.560 1.00 62.35 O ATOM 1469 CB SER A 658 -7.200 -12.397 6.333 1.00 10.24 C ATOM 1470 OG SER A 658 -8.089 -12.720 7.388 1.00 23.42 O ATOM 0 H SER A 658 -5.735 -12.547 4.356 1.00 35.22 H new ATOM 0 HA SER A 658 -5.336 -13.220 7.014 1.00 21.21 H new ATOM 0 HB2 SER A 658 -6.782 -11.404 6.497 1.00 10.24 H new ATOM 0 HB3 SER A 658 -7.747 -12.361 5.391 1.00 10.24 H new ATOM 0 HG SER A 658 -8.802 -12.049 7.432 1.00 23.42 H new ATOM 1475 N GLN A 659 -7.015 -15.467 5.338 1.00 2.31 N ATOM 1476 CA GLN A 659 -7.562 -16.817 5.396 1.00 1.42 C ATOM 1477 C GLN A 659 -6.577 -17.777 6.056 1.00 54.43 C ATOM 1478 O GLN A 659 -6.971 -18.814 6.588 1.00 11.12 O ATOM 1479 CB GLN A 659 -7.908 -17.310 3.990 1.00 2.25 C ATOM 1480 CG GLN A 659 -8.727 -18.591 3.978 1.00 63.13 C ATOM 1481 CD GLN A 659 -8.882 -19.172 2.587 1.00 25.54 C ATOM 1482 OE1 GLN A 659 -8.934 -18.441 1.597 1.00 52.41 O ATOM 1483 NE2 GLN A 659 -8.953 -20.496 2.503 1.00 15.12 N ATOM 0 H GLN A 659 -6.966 -15.071 4.399 1.00 2.31 H new ATOM 0 HA GLN A 659 -8.470 -16.788 5.998 1.00 1.42 H new ATOM 0 HB2 GLN A 659 -8.461 -16.530 3.467 1.00 2.25 H new ATOM 0 HB3 GLN A 659 -6.985 -17.474 3.434 1.00 2.25 H new ATOM 0 HG2 GLN A 659 -8.251 -19.328 4.624 1.00 63.13 H new ATOM 0 HG3 GLN A 659 -9.714 -18.391 4.396 1.00 63.13 H new ATOM 0 HE21 GLN A 659 -8.906 -21.064 3.349 1.00 15.12 H new ATOM 0 HE22 GLN A 659 -9.055 -20.945 1.593 1.00 15.12 H new