USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 581 SER OG : rot 19:sc= 0.388 USER MOD Single : A 594 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0.00873 USER MOD Single : A 604 LYS NZ :NH3+ -113:sc= 1.9 (180deg=0.331) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ -110:sc= 1.24 (180deg=-0.786) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.063) USER MOD Single : A 629 THR OG1 : rot 79:sc= 0.993 USER MOD Single : A 631 SER OG : rot 180:sc= -0.456 USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.013 9.836 -1.086 1.00 34.11 N ATOM 322 CA SER A 581 0.265 10.209 -2.281 1.00 52.14 C ATOM 323 C SER A 581 -0.131 8.974 -3.084 1.00 63.23 C ATOM 324 O SER A 581 0.199 7.846 -2.713 1.00 52.41 O ATOM 325 CB SER A 581 1.095 11.153 -3.154 1.00 43.44 C ATOM 326 OG SER A 581 1.831 12.067 -2.359 1.00 31.32 O ATOM 0 HA SER A 581 -0.644 10.721 -1.964 1.00 52.14 H new ATOM 0 HB2 SER A 581 1.778 10.573 -3.774 1.00 43.44 H new ATOM 0 HB3 SER A 581 0.438 11.701 -3.830 1.00 43.44 H new ATOM 0 HG SER A 581 1.902 11.722 -1.445 1.00 31.32 H new ATOM 331 N VAL A 582 -0.841 9.193 -4.185 1.00 43.24 N ATOM 332 CA VAL A 582 -1.282 8.099 -5.041 1.00 23.22 C ATOM 333 C VAL A 582 -0.112 7.210 -5.444 1.00 32.34 C ATOM 334 O VAL A 582 -0.238 5.988 -5.504 1.00 44.23 O ATOM 335 CB VAL A 582 -1.975 8.625 -6.313 1.00 75.32 C ATOM 336 CG1 VAL A 582 -2.385 7.470 -7.214 1.00 72.11 C ATOM 337 CG2 VAL A 582 -3.178 9.481 -5.949 1.00 64.34 C ATOM 0 H VAL A 582 -1.123 10.119 -4.506 1.00 43.24 H new ATOM 0 HA VAL A 582 -1.997 7.514 -4.462 1.00 23.22 H new ATOM 0 HB VAL A 582 -1.267 9.248 -6.860 1.00 75.32 H new ATOM 0 HG11 VAL A 582 -2.873 7.861 -8.107 1.00 72.11 H new ATOM 0 HG12 VAL A 582 -1.501 6.902 -7.503 1.00 72.11 H new ATOM 0 HG13 VAL A 582 -3.076 6.819 -6.679 1.00 72.11 H new ATOM 0 HG21 VAL A 582 -3.655 9.844 -6.859 1.00 64.34 H new ATOM 0 HG22 VAL A 582 -3.890 8.884 -5.379 1.00 64.34 H new ATOM 0 HG23 VAL A 582 -2.852 10.329 -5.347 1.00 64.34 H new ATOM 347 N ALA A 583 1.030 7.834 -5.719 1.00 23.54 N ATOM 348 CA ALA A 583 2.225 7.099 -6.115 1.00 64.53 C ATOM 349 C ALA A 583 2.785 6.292 -4.947 1.00 52.21 C ATOM 350 O ALA A 583 3.106 5.114 -5.094 1.00 71.21 O ATOM 351 CB ALA A 583 3.279 8.055 -6.650 1.00 34.31 C ATOM 0 H ALA A 583 1.152 8.846 -5.675 1.00 23.54 H new ATOM 0 HA ALA A 583 1.947 6.402 -6.906 1.00 64.53 H new ATOM 0 HB1 ALA A 583 4.166 7.492 -6.942 1.00 34.31 H new ATOM 0 HB2 ALA A 583 2.884 8.584 -7.517 1.00 34.31 H new ATOM 0 HB3 ALA A 583 3.544 8.774 -5.875 1.00 34.31 H new ATOM 357 N GLU A 584 2.898 6.936 -3.789 1.00 32.52 N ATOM 358 CA GLU A 584 3.421 6.277 -2.598 1.00 13.11 C ATOM 359 C GLU A 584 2.553 5.082 -2.212 1.00 34.33 C ATOM 360 O GLU A 584 3.047 3.962 -2.078 1.00 4.23 O ATOM 361 CB GLU A 584 3.493 7.266 -1.432 1.00 44.12 C ATOM 362 CG GLU A 584 4.328 8.499 -1.731 1.00 11.02 C ATOM 363 CD GLU A 584 5.756 8.372 -1.238 1.00 23.21 C ATOM 364 OE1 GLU A 584 6.592 7.816 -1.981 1.00 73.11 O ATOM 365 OE2 GLU A 584 6.037 8.827 -0.110 1.00 61.33 O ATOM 0 H GLU A 584 2.635 7.912 -3.651 1.00 32.52 H new ATOM 0 HA GLU A 584 4.425 5.917 -2.824 1.00 13.11 H new ATOM 0 HB2 GLU A 584 2.482 7.577 -1.168 1.00 44.12 H new ATOM 0 HB3 GLU A 584 3.908 6.759 -0.561 1.00 44.12 H new ATOM 0 HG2 GLU A 584 4.334 8.677 -2.806 1.00 11.02 H new ATOM 0 HG3 GLU A 584 3.864 9.369 -1.266 1.00 11.02 H new ATOM 370 N VAL A 585 1.260 5.330 -2.036 1.00 22.34 N ATOM 371 CA VAL A 585 0.324 4.274 -1.667 1.00 1.25 C ATOM 372 C VAL A 585 0.331 3.148 -2.695 1.00 12.43 C ATOM 373 O VAL A 585 0.160 1.980 -2.350 1.00 21.14 O ATOM 374 CB VAL A 585 -1.111 4.819 -1.530 1.00 53.32 C ATOM 375 CG1 VAL A 585 -2.034 3.757 -0.954 1.00 10.11 C ATOM 376 CG2 VAL A 585 -1.123 6.072 -0.667 1.00 45.53 C ATOM 0 H VAL A 585 0.836 6.252 -2.143 1.00 22.34 H new ATOM 0 HA VAL A 585 0.651 3.884 -0.703 1.00 1.25 H new ATOM 0 HB VAL A 585 -1.477 5.084 -2.522 1.00 53.32 H new ATOM 0 HG11 VAL A 585 -3.042 4.161 -0.865 1.00 10.11 H new ATOM 0 HG12 VAL A 585 -2.047 2.890 -1.614 1.00 10.11 H new ATOM 0 HG13 VAL A 585 -1.675 3.458 0.031 1.00 10.11 H new ATOM 0 HG21 VAL A 585 -2.144 6.444 -0.580 1.00 45.53 H new ATOM 0 HG22 VAL A 585 -0.738 5.835 0.325 1.00 45.53 H new ATOM 0 HG23 VAL A 585 -0.496 6.836 -1.126 1.00 45.53 H new ATOM 386 N GLU A 586 0.529 3.509 -3.959 1.00 13.04 N ATOM 387 CA GLU A 586 0.559 2.528 -5.038 1.00 50.54 C ATOM 388 C GLU A 586 1.690 1.526 -4.831 1.00 33.20 C ATOM 389 O GLU A 586 1.477 0.315 -4.872 1.00 42.33 O ATOM 390 CB GLU A 586 0.722 3.228 -6.389 1.00 41.22 C ATOM 391 CG GLU A 586 -0.562 3.296 -7.198 1.00 52.22 C ATOM 392 CD GLU A 586 -0.471 4.271 -8.356 1.00 62.53 C ATOM 393 OE1 GLU A 586 -0.104 5.441 -8.118 1.00 11.04 O ATOM 394 OE2 GLU A 586 -0.766 3.865 -9.499 1.00 25.23 O ATOM 0 H GLU A 586 0.671 4.473 -4.261 1.00 13.04 H new ATOM 0 HA GLU A 586 -0.387 1.987 -5.030 1.00 50.54 H new ATOM 0 HB2 GLU A 586 1.090 4.240 -6.222 1.00 41.22 H new ATOM 0 HB3 GLU A 586 1.481 2.705 -6.971 1.00 41.22 H new ATOM 0 HG2 GLU A 586 -0.798 2.303 -7.581 1.00 52.22 H new ATOM 0 HG3 GLU A 586 -1.384 3.589 -6.545 1.00 52.22 H new ATOM 399 N ALA A 587 2.896 2.041 -4.610 1.00 42.12 N ATOM 400 CA ALA A 587 4.061 1.192 -4.396 1.00 70.03 C ATOM 401 C ALA A 587 3.924 0.387 -3.108 1.00 33.33 C ATOM 402 O ALA A 587 4.456 -0.718 -2.995 1.00 35.52 O ATOM 403 CB ALA A 587 5.328 2.035 -4.362 1.00 71.44 C ATOM 0 H ALA A 587 3.091 3.042 -4.575 1.00 42.12 H new ATOM 0 HA ALA A 587 4.127 0.490 -5.227 1.00 70.03 H new ATOM 0 HB1 ALA A 587 6.191 1.389 -4.201 1.00 71.44 H new ATOM 0 HB2 ALA A 587 5.440 2.561 -5.310 1.00 71.44 H new ATOM 0 HB3 ALA A 587 5.261 2.759 -3.550 1.00 71.44 H new ATOM 409 N LEU A 588 3.208 0.946 -2.140 1.00 74.25 N ATOM 410 CA LEU A 588 3.002 0.279 -0.858 1.00 22.21 C ATOM 411 C LEU A 588 2.125 -0.958 -1.023 1.00 21.21 C ATOM 412 O LEU A 588 2.512 -2.061 -0.638 1.00 63.50 O ATOM 413 CB LEU A 588 2.361 1.242 0.143 1.00 24.11 C ATOM 414 CG LEU A 588 2.686 0.993 1.616 1.00 72.22 C ATOM 415 CD1 LEU A 588 2.443 -0.463 1.978 1.00 31.51 C ATOM 416 CD2 LEU A 588 4.126 1.387 1.918 1.00 44.41 C ATOM 0 H LEU A 588 2.760 1.859 -2.217 1.00 74.25 H new ATOM 0 HA LEU A 588 3.975 -0.035 -0.479 1.00 22.21 H new ATOM 0 HB2 LEU A 588 2.670 2.256 -0.110 1.00 24.11 H new ATOM 0 HB3 LEU A 588 1.279 1.198 0.018 1.00 24.11 H new ATOM 0 HG LEU A 588 2.025 1.611 2.224 1.00 72.22 H new ATOM 0 HD11 LEU A 588 2.680 -0.621 3.030 1.00 31.51 H new ATOM 0 HD12 LEU A 588 1.397 -0.712 1.800 1.00 31.51 H new ATOM 0 HD13 LEU A 588 3.078 -1.102 1.364 1.00 31.51 H new ATOM 0 HD21 LEU A 588 4.340 1.203 2.971 1.00 44.41 H new ATOM 0 HD22 LEU A 588 4.802 0.795 1.301 1.00 44.41 H new ATOM 0 HD23 LEU A 588 4.267 2.445 1.698 1.00 44.41 H new ATOM 427 N VAL A 589 0.944 -0.768 -1.601 1.00 14.23 N ATOM 428 CA VAL A 589 0.014 -1.868 -1.821 1.00 2.02 C ATOM 429 C VAL A 589 0.540 -2.830 -2.880 1.00 75.30 C ATOM 430 O VAL A 589 0.478 -4.047 -2.712 1.00 61.13 O ATOM 431 CB VAL A 589 -1.372 -1.354 -2.255 1.00 43.24 C ATOM 432 CG1 VAL A 589 -1.259 -0.510 -3.515 1.00 70.41 C ATOM 433 CG2 VAL A 589 -2.329 -2.518 -2.467 1.00 14.41 C ATOM 0 H VAL A 589 0.608 0.139 -1.926 1.00 14.23 H new ATOM 0 HA VAL A 589 -0.082 -2.394 -0.871 1.00 2.02 H new ATOM 0 HB VAL A 589 -1.772 -0.724 -1.460 1.00 43.24 H new ATOM 0 HG11 VAL A 589 -2.248 -0.156 -3.806 1.00 70.41 H new ATOM 0 HG12 VAL A 589 -0.610 0.344 -3.324 1.00 70.41 H new ATOM 0 HG13 VAL A 589 -0.838 -1.112 -4.320 1.00 70.41 H new ATOM 0 HG21 VAL A 589 -3.303 -2.137 -2.773 1.00 14.41 H new ATOM 0 HG22 VAL A 589 -1.936 -3.175 -3.243 1.00 14.41 H new ATOM 0 HG23 VAL A 589 -2.434 -3.077 -1.537 1.00 14.41 H new ATOM 443 N GLU A 590 1.060 -2.275 -3.971 1.00 43.34 N ATOM 444 CA GLU A 590 1.598 -3.084 -5.057 1.00 10.22 C ATOM 445 C GLU A 590 2.595 -4.112 -4.529 1.00 41.34 C ATOM 446 O GLU A 590 2.526 -5.292 -4.871 1.00 41.12 O ATOM 447 CB GLU A 590 2.272 -2.192 -6.102 1.00 21.32 C ATOM 448 CG GLU A 590 1.298 -1.553 -7.077 1.00 62.52 C ATOM 449 CD GLU A 590 1.901 -0.372 -7.814 1.00 71.42 C ATOM 450 OE1 GLU A 590 3.133 -0.184 -7.726 1.00 41.22 O ATOM 451 OE2 GLU A 590 1.141 0.362 -8.479 1.00 62.12 O ATOM 0 H GLU A 590 1.120 -1.268 -4.125 1.00 43.34 H new ATOM 0 HA GLU A 590 0.769 -3.616 -5.524 1.00 10.22 H new ATOM 0 HB2 GLU A 590 2.830 -1.407 -5.592 1.00 21.32 H new ATOM 0 HB3 GLU A 590 2.996 -2.785 -6.661 1.00 21.32 H new ATOM 0 HG2 GLU A 590 0.971 -2.300 -7.801 1.00 62.52 H new ATOM 0 HG3 GLU A 590 0.411 -1.224 -6.536 1.00 62.52 H new ATOM 456 N ALA A 591 3.520 -3.653 -3.693 1.00 55.22 N ATOM 457 CA ALA A 591 4.531 -4.530 -3.115 1.00 2.35 C ATOM 458 C ALA A 591 3.904 -5.524 -2.143 1.00 13.13 C ATOM 459 O ALA A 591 4.333 -6.674 -2.053 1.00 75.54 O ATOM 460 CB ALA A 591 5.605 -3.710 -2.416 1.00 5.11 C ATOM 0 H ALA A 591 3.590 -2.678 -3.401 1.00 55.22 H new ATOM 0 HA ALA A 591 4.992 -5.095 -3.925 1.00 2.35 H new ATOM 0 HB1 ALA A 591 6.353 -4.378 -1.989 1.00 5.11 H new ATOM 0 HB2 ALA A 591 6.081 -3.045 -3.136 1.00 5.11 H new ATOM 0 HB3 ALA A 591 5.151 -3.118 -1.621 1.00 5.11 H new ATOM 466 N VAL A 592 2.886 -5.073 -1.418 1.00 63.12 N ATOM 467 CA VAL A 592 2.199 -5.923 -0.453 1.00 55.14 C ATOM 468 C VAL A 592 1.387 -7.006 -1.154 1.00 42.44 C ATOM 469 O VAL A 592 1.153 -8.078 -0.597 1.00 61.14 O ATOM 470 CB VAL A 592 1.263 -5.101 0.454 1.00 75.40 C ATOM 471 CG1 VAL A 592 0.242 -6.004 1.127 1.00 24.52 C ATOM 472 CG2 VAL A 592 2.067 -4.328 1.488 1.00 61.44 C ATOM 0 H VAL A 592 2.518 -4.124 -1.480 1.00 63.12 H new ATOM 0 HA VAL A 592 2.969 -6.390 0.161 1.00 55.14 H new ATOM 0 HB VAL A 592 0.725 -4.383 -0.165 1.00 75.40 H new ATOM 0 HG11 VAL A 592 -0.410 -5.405 1.763 1.00 24.52 H new ATOM 0 HG12 VAL A 592 -0.355 -6.507 0.367 1.00 24.52 H new ATOM 0 HG13 VAL A 592 0.758 -6.748 1.734 1.00 24.52 H new ATOM 0 HG21 VAL A 592 1.390 -3.753 2.120 1.00 61.44 H new ATOM 0 HG22 VAL A 592 2.634 -5.026 2.104 1.00 61.44 H new ATOM 0 HG23 VAL A 592 2.754 -3.650 0.982 1.00 61.44 H new ATOM 482 N GLU A 593 0.960 -6.718 -2.379 1.00 54.23 N ATOM 483 CA GLU A 593 0.173 -7.669 -3.156 1.00 35.03 C ATOM 484 C GLU A 593 1.052 -8.798 -3.685 1.00 63.32 C ATOM 485 O GLU A 593 0.625 -9.951 -3.754 1.00 64.43 O ATOM 486 CB GLU A 593 -0.519 -6.959 -4.322 1.00 45.01 C ATOM 487 CG GLU A 593 -2.005 -6.731 -4.099 1.00 15.12 C ATOM 488 CD GLU A 593 -2.862 -7.805 -4.741 1.00 64.24 C ATOM 489 OE1 GLU A 593 -2.656 -8.090 -5.939 1.00 63.40 O ATOM 490 OE2 GLU A 593 -3.739 -8.359 -4.045 1.00 60.12 O ATOM 0 H GLU A 593 1.145 -5.835 -2.855 1.00 54.23 H new ATOM 0 HA GLU A 593 -0.584 -8.098 -2.499 1.00 35.03 H new ATOM 0 HB2 GLU A 593 -0.034 -5.998 -4.491 1.00 45.01 H new ATOM 0 HB3 GLU A 593 -0.382 -7.549 -5.228 1.00 45.01 H new ATOM 0 HG2 GLU A 593 -2.208 -6.701 -3.028 1.00 15.12 H new ATOM 0 HG3 GLU A 593 -2.284 -5.758 -4.504 1.00 15.12 H new ATOM 495 N HIS A 594 2.282 -8.459 -4.056 1.00 24.43 N ATOM 496 CA HIS A 594 3.222 -9.445 -4.579 1.00 51.41 C ATOM 497 C HIS A 594 3.969 -10.138 -3.443 1.00 23.52 C ATOM 498 O HIS A 594 4.072 -11.366 -3.413 1.00 73.21 O ATOM 499 CB HIS A 594 4.219 -8.778 -5.528 1.00 45.35 C ATOM 500 CG HIS A 594 4.910 -9.740 -6.444 1.00 53.35 C ATOM 501 ND1 HIS A 594 4.728 -9.741 -7.810 1.00 65.22 N ATOM 502 CD2 HIS A 594 5.790 -10.735 -6.182 1.00 10.10 C ATOM 503 CE1 HIS A 594 5.463 -10.697 -8.349 1.00 74.41 C ATOM 504 NE2 HIS A 594 6.118 -11.314 -7.382 1.00 32.52 N ATOM 0 H HIS A 594 2.652 -7.510 -4.004 1.00 24.43 H new ATOM 0 HA HIS A 594 2.655 -10.195 -5.129 1.00 51.41 H new ATOM 0 HB2 HIS A 594 3.695 -8.032 -6.126 1.00 45.35 H new ATOM 0 HB3 HIS A 594 4.968 -8.247 -4.940 1.00 45.35 H new ATOM 0 HD2 HIS A 594 6.164 -11.020 -5.210 1.00 10.10 H new ATOM 0 HE1 HIS A 594 5.519 -10.934 -9.401 1.00 74.41 H new ATOM 0 HE2 HIS A 594 6.763 -12.094 -7.507 1.00 32.52 H new ATOM 511 N LEU A 595 4.487 -9.346 -2.511 1.00 33.24 N ATOM 512 CA LEU A 595 5.225 -9.884 -1.374 1.00 31.41 C ATOM 513 C LEU A 595 4.271 -10.396 -0.299 1.00 53.14 C ATOM 514 O LEU A 595 4.628 -11.258 0.502 1.00 62.24 O ATOM 515 CB LEU A 595 6.147 -8.814 -0.787 1.00 53.32 C ATOM 516 CG LEU A 595 7.419 -8.514 -1.581 1.00 4.24 C ATOM 517 CD1 LEU A 595 8.192 -9.794 -1.853 1.00 32.45 C ATOM 518 CD2 LEU A 595 7.079 -7.807 -2.886 1.00 60.35 C ATOM 0 H LEU A 595 4.410 -8.329 -2.520 1.00 33.24 H new ATOM 0 HA LEU A 595 5.828 -10.721 -1.726 1.00 31.41 H new ATOM 0 HB2 LEU A 595 5.579 -7.889 -0.686 1.00 53.32 H new ATOM 0 HB3 LEU A 595 6.435 -9.122 0.218 1.00 53.32 H new ATOM 0 HG LEU A 595 8.049 -7.853 -0.986 1.00 4.24 H new ATOM 0 HD11 LEU A 595 9.094 -9.561 -2.419 1.00 32.45 H new ATOM 0 HD12 LEU A 595 8.467 -10.261 -0.907 1.00 32.45 H new ATOM 0 HD13 LEU A 595 7.570 -10.480 -2.428 1.00 32.45 H new ATOM 0 HD21 LEU A 595 7.996 -7.601 -3.438 1.00 60.35 H new ATOM 0 HD22 LEU A 595 6.429 -8.444 -3.486 1.00 60.35 H new ATOM 0 HD23 LEU A 595 6.568 -6.869 -2.669 1.00 60.35 H new ATOM 529 N GLY A 596 3.056 -9.857 -0.290 1.00 64.01 N ATOM 530 CA GLY A 596 2.068 -10.274 0.690 1.00 54.20 C ATOM 531 C GLY A 596 2.184 -9.504 1.991 1.00 23.33 C ATOM 532 O GLY A 596 2.932 -8.531 2.083 1.00 21.43 O ATOM 0 H GLY A 596 2.738 -9.140 -0.942 1.00 64.01 H new ATOM 0 HA2 GLY A 596 1.069 -10.135 0.277 1.00 54.20 H new ATOM 0 HA3 GLY A 596 2.185 -11.339 0.890 1.00 54.20 H new ATOM 536 N THR A 597 1.438 -9.940 3.002 1.00 32.42 N ATOM 537 CA THR A 597 1.458 -9.285 4.304 1.00 23.02 C ATOM 538 C THR A 597 2.368 -10.025 5.279 1.00 10.23 C ATOM 539 O THR A 597 2.113 -10.052 6.481 1.00 42.33 O ATOM 540 CB THR A 597 0.044 -9.194 4.908 1.00 11.35 C ATOM 541 OG1 THR A 597 -0.661 -10.422 4.691 1.00 41.32 O ATOM 542 CG2 THR A 597 -0.734 -8.041 4.293 1.00 1.31 C ATOM 0 H THR A 597 0.813 -10.744 2.944 1.00 32.42 H new ATOM 0 HA THR A 597 1.843 -8.278 4.145 1.00 23.02 H new ATOM 0 HB THR A 597 0.141 -9.015 5.979 1.00 11.35 H new ATOM 0 HG1 THR A 597 -1.558 -10.357 5.079 1.00 41.32 H new ATOM 0 HG21 THR A 597 -1.729 -7.997 4.735 1.00 1.31 H new ATOM 0 HG22 THR A 597 -0.210 -7.105 4.485 1.00 1.31 H new ATOM 0 HG23 THR A 597 -0.821 -8.194 3.217 1.00 1.31 H new ATOM 550 N GLY A 598 3.431 -10.624 4.750 1.00 55.43 N ATOM 551 CA GLY A 598 4.363 -11.354 5.588 1.00 31.33 C ATOM 552 C GLY A 598 5.808 -11.030 5.268 1.00 34.13 C ATOM 553 O GLY A 598 6.725 -11.623 5.836 1.00 34.33 O ATOM 0 H GLY A 598 3.663 -10.616 3.757 1.00 55.43 H new ATOM 0 HA2 GLY A 598 4.165 -11.121 6.634 1.00 31.33 H new ATOM 0 HA3 GLY A 598 4.198 -12.424 5.463 1.00 31.33 H new ATOM 557 N ARG A 599 6.013 -10.086 4.354 1.00 3.01 N ATOM 558 CA ARG A 599 7.357 -9.686 3.957 1.00 22.52 C ATOM 559 C ARG A 599 7.482 -8.166 3.917 1.00 71.11 C ATOM 560 O ARG A 599 7.337 -7.548 2.862 1.00 33.52 O ATOM 561 CB ARG A 599 7.703 -10.272 2.587 1.00 24.35 C ATOM 562 CG ARG A 599 8.037 -11.755 2.625 1.00 42.44 C ATOM 563 CD ARG A 599 8.751 -12.198 1.358 1.00 70.44 C ATOM 564 NE ARG A 599 8.706 -13.647 1.182 1.00 62.24 N ATOM 565 CZ ARG A 599 7.644 -14.299 0.720 1.00 52.11 C ATOM 566 NH1 ARG A 599 6.547 -13.634 0.388 1.00 52.20 N ATOM 567 NH2 ARG A 599 7.679 -15.619 0.589 1.00 34.40 N ATOM 0 H ARG A 599 5.265 -9.585 3.875 1.00 3.01 H new ATOM 0 HA ARG A 599 8.057 -10.072 4.698 1.00 22.52 H new ATOM 0 HB2 ARG A 599 6.862 -10.115 1.911 1.00 24.35 H new ATOM 0 HB3 ARG A 599 8.551 -9.728 2.172 1.00 24.35 H new ATOM 0 HG2 ARG A 599 8.665 -11.965 3.490 1.00 42.44 H new ATOM 0 HG3 ARG A 599 7.121 -12.332 2.748 1.00 42.44 H new ATOM 0 HD2 ARG A 599 8.293 -11.714 0.496 1.00 70.44 H new ATOM 0 HD3 ARG A 599 9.790 -11.869 1.394 1.00 70.44 H new ATOM 0 HE ARG A 599 9.535 -14.188 1.427 1.00 62.24 H new ATOM 0 HH11 ARG A 599 6.516 -12.619 0.487 1.00 52.20 H new ATOM 0 HH12 ARG A 599 5.733 -14.137 0.034 1.00 52.20 H new ATOM 0 HH21 ARG A 599 8.522 -16.135 0.843 1.00 34.40 H new ATOM 0 HH22 ARG A 599 6.863 -16.118 0.234 1.00 34.40 H new ATOM 578 N TRP A 600 7.752 -7.570 5.073 1.00 11.31 N ATOM 579 CA TRP A 600 7.897 -6.122 5.170 1.00 5.11 C ATOM 580 C TRP A 600 9.170 -5.653 4.474 1.00 2.23 C ATOM 581 O TRP A 600 9.136 -4.741 3.649 1.00 40.52 O ATOM 582 CB TRP A 600 7.914 -5.688 6.637 1.00 3.21 C ATOM 583 CG TRP A 600 6.826 -6.316 7.455 1.00 74.14 C ATOM 584 CD1 TRP A 600 5.584 -6.682 7.023 1.00 44.13 C ATOM 585 CD2 TRP A 600 6.884 -6.650 8.846 1.00 61.14 C ATOM 586 NE1 TRP A 600 4.866 -7.224 8.062 1.00 44.51 N ATOM 587 CE2 TRP A 600 5.641 -7.216 9.192 1.00 15.23 C ATOM 588 CE3 TRP A 600 7.866 -6.527 9.833 1.00 41.23 C ATOM 589 CZ2 TRP A 600 5.355 -7.656 10.481 1.00 75.24 C ATOM 590 CZ3 TRP A 600 7.581 -6.965 11.113 1.00 53.21 C ATOM 591 CH2 TRP A 600 6.336 -7.523 11.428 1.00 5.35 C ATOM 0 H TRP A 600 7.875 -8.067 5.955 1.00 11.31 H new ATOM 0 HA TRP A 600 7.043 -5.663 4.672 1.00 5.11 H new ATOM 0 HB2 TRP A 600 8.880 -5.943 7.073 1.00 3.21 H new ATOM 0 HB3 TRP A 600 7.818 -4.603 6.689 1.00 3.21 H new ATOM 0 HD1 TRP A 600 5.219 -6.563 6.013 1.00 44.13 H new ATOM 0 HE1 TRP A 600 3.910 -7.576 8.002 1.00 44.51 H new ATOM 0 HE3 TRP A 600 8.829 -6.098 9.600 1.00 41.23 H new ATOM 0 HZ2 TRP A 600 4.395 -8.086 10.726 1.00 75.24 H new ATOM 0 HZ3 TRP A 600 8.332 -6.875 11.884 1.00 53.21 H new ATOM 0 HH2 TRP A 600 6.145 -7.855 12.438 1.00 5.35 H new ATOM 601 N ARG A 601 10.290 -6.284 4.811 1.00 43.04 N ATOM 602 CA ARG A 601 11.573 -5.930 4.218 1.00 13.13 C ATOM 603 C ARG A 601 11.494 -5.958 2.695 1.00 15.50 C ATOM 604 O ARG A 601 11.939 -5.025 2.024 1.00 4.24 O ATOM 605 CB ARG A 601 12.663 -6.889 4.700 1.00 31.22 C ATOM 606 CG ARG A 601 12.311 -8.355 4.512 1.00 23.14 C ATOM 607 CD ARG A 601 13.212 -9.256 5.342 1.00 71.03 C ATOM 608 NE ARG A 601 13.040 -10.666 5.002 1.00 54.22 N ATOM 609 CZ ARG A 601 13.444 -11.664 5.780 1.00 45.13 C ATOM 610 NH1 ARG A 601 14.038 -11.408 6.937 1.00 75.34 N ATOM 611 NH2 ARG A 601 13.251 -12.922 5.403 1.00 13.21 N ATOM 0 H ARG A 601 10.334 -7.043 5.491 1.00 43.04 H new ATOM 0 HA ARG A 601 11.824 -4.917 4.533 1.00 13.13 H new ATOM 0 HB2 ARG A 601 13.587 -6.674 4.163 1.00 31.22 H new ATOM 0 HB3 ARG A 601 12.857 -6.703 5.756 1.00 31.22 H new ATOM 0 HG2 ARG A 601 11.271 -8.519 4.794 1.00 23.14 H new ATOM 0 HG3 ARG A 601 12.401 -8.620 3.458 1.00 23.14 H new ATOM 0 HD2 ARG A 601 14.252 -8.970 5.187 1.00 71.03 H new ATOM 0 HD3 ARG A 601 12.995 -9.109 6.400 1.00 71.03 H new ATOM 0 HE ARG A 601 12.585 -10.897 4.119 1.00 54.22 H new ATOM 0 HH11 ARG A 601 14.186 -10.443 7.232 1.00 75.34 H new ATOM 0 HH12 ARG A 601 14.347 -12.176 7.533 1.00 75.34 H new ATOM 0 HH21 ARG A 601 12.792 -13.123 4.515 1.00 13.21 H new ATOM 0 HH22 ARG A 601 13.562 -13.687 6.002 1.00 13.21 H new ATOM 622 N ASP A 602 10.928 -7.031 2.155 1.00 61.24 N ATOM 623 CA ASP A 602 10.790 -7.179 0.711 1.00 64.44 C ATOM 624 C ASP A 602 9.933 -6.059 0.129 1.00 73.34 C ATOM 625 O ASP A 602 10.221 -5.539 -0.948 1.00 33.54 O ATOM 626 CB ASP A 602 10.174 -8.537 0.373 1.00 23.20 C ATOM 627 CG ASP A 602 10.905 -9.687 1.039 1.00 14.43 C ATOM 628 OD1 ASP A 602 10.847 -9.786 2.283 1.00 34.12 O ATOM 629 OD2 ASP A 602 11.537 -10.487 0.317 1.00 10.34 O ATOM 0 H ASP A 602 10.557 -7.812 2.696 1.00 61.24 H new ATOM 0 HA ASP A 602 11.784 -7.119 0.268 1.00 64.44 H new ATOM 0 HB2 ASP A 602 9.129 -8.546 0.684 1.00 23.20 H new ATOM 0 HB3 ASP A 602 10.187 -8.680 -0.708 1.00 23.20 H new ATOM 633 N VAL A 603 8.878 -5.693 0.849 1.00 25.31 N ATOM 634 CA VAL A 603 7.978 -4.635 0.405 1.00 25.41 C ATOM 635 C VAL A 603 8.727 -3.320 0.218 1.00 3.13 C ATOM 636 O VAL A 603 8.394 -2.523 -0.659 1.00 42.41 O ATOM 637 CB VAL A 603 6.828 -4.420 1.405 1.00 5.32 C ATOM 638 CG1 VAL A 603 6.120 -3.101 1.131 1.00 33.15 C ATOM 639 CG2 VAL A 603 5.847 -5.582 1.346 1.00 44.44 C ATOM 0 H VAL A 603 8.625 -6.114 1.743 1.00 25.31 H new ATOM 0 HA VAL A 603 7.563 -4.953 -0.551 1.00 25.41 H new ATOM 0 HB VAL A 603 7.248 -4.378 2.410 1.00 5.32 H new ATOM 0 HG11 VAL A 603 5.310 -2.967 1.848 1.00 33.15 H new ATOM 0 HG12 VAL A 603 6.830 -2.280 1.228 1.00 33.15 H new ATOM 0 HG13 VAL A 603 5.712 -3.110 0.120 1.00 33.15 H new ATOM 0 HG21 VAL A 603 5.040 -5.414 2.059 1.00 44.44 H new ATOM 0 HG22 VAL A 603 5.433 -5.658 0.341 1.00 44.44 H new ATOM 0 HG23 VAL A 603 6.365 -6.508 1.596 1.00 44.44 H new ATOM 649 N LYS A 604 9.742 -3.101 1.047 1.00 1.31 N ATOM 650 CA LYS A 604 10.541 -1.884 0.972 1.00 54.45 C ATOM 651 C LYS A 604 11.389 -1.865 -0.295 1.00 62.24 C ATOM 652 O LYS A 604 11.458 -0.853 -0.992 1.00 22.32 O ATOM 653 CB LYS A 604 11.442 -1.764 2.204 1.00 24.41 C ATOM 654 CG LYS A 604 11.970 -0.360 2.438 1.00 22.41 C ATOM 655 CD LYS A 604 10.917 0.532 3.073 1.00 54.23 C ATOM 656 CE LYS A 604 11.512 1.855 3.533 1.00 61.02 C ATOM 657 NZ LYS A 604 11.487 2.880 2.455 1.00 32.03 N ATOM 0 H LYS A 604 10.031 -3.751 1.779 1.00 1.31 H new ATOM 0 HA LYS A 604 9.859 -1.034 0.943 1.00 54.45 H new ATOM 0 HB2 LYS A 604 10.884 -2.084 3.084 1.00 24.41 H new ATOM 0 HB3 LYS A 604 12.285 -2.446 2.095 1.00 24.41 H new ATOM 0 HG2 LYS A 604 12.848 -0.403 3.082 1.00 22.41 H new ATOM 0 HG3 LYS A 604 12.291 0.072 1.490 1.00 22.41 H new ATOM 0 HD2 LYS A 604 10.118 0.721 2.356 1.00 54.23 H new ATOM 0 HD3 LYS A 604 10.468 0.018 3.923 1.00 54.23 H new ATOM 0 HE2 LYS A 604 10.956 2.222 4.396 1.00 61.02 H new ATOM 0 HE3 LYS A 604 12.540 1.697 3.859 1.00 61.02 H new ATOM 0 HZ1 LYS A 604 12.461 3.101 2.164 1.00 32.03 H new ATOM 0 HZ2 LYS A 604 10.956 2.513 1.639 1.00 32.03 H new ATOM 0 HZ3 LYS A 604 11.027 3.743 2.807 1.00 32.03 H new ATOM 667 N MET A 605 12.032 -2.991 -0.588 1.00 43.51 N ATOM 668 CA MET A 605 12.874 -3.105 -1.773 1.00 0.45 C ATOM 669 C MET A 605 12.024 -3.163 -3.039 1.00 63.43 C ATOM 670 O MET A 605 12.441 -2.699 -4.099 1.00 33.13 O ATOM 671 CB MET A 605 13.758 -4.350 -1.680 1.00 52.43 C ATOM 672 CG MET A 605 14.745 -4.308 -0.526 1.00 12.11 C ATOM 673 SD MET A 605 16.185 -5.358 -0.805 1.00 35.13 S ATOM 674 CE MET A 605 16.991 -5.260 0.791 1.00 44.20 C ATOM 0 H MET A 605 11.986 -3.837 -0.021 1.00 43.51 H new ATOM 0 HA MET A 605 13.510 -2.221 -1.823 1.00 0.45 H new ATOM 0 HB2 MET A 605 13.123 -5.229 -1.573 1.00 52.43 H new ATOM 0 HB3 MET A 605 14.308 -4.466 -2.614 1.00 52.43 H new ATOM 0 HG2 MET A 605 15.074 -3.280 -0.372 1.00 12.11 H new ATOM 0 HG3 MET A 605 14.242 -4.623 0.389 1.00 12.11 H new ATOM 0 HE1 MET A 605 17.901 -5.860 0.777 1.00 44.20 H new ATOM 0 HE2 MET A 605 17.244 -4.222 1.008 1.00 44.20 H new ATOM 0 HE3 MET A 605 16.319 -5.638 1.562 1.00 44.20 H new ATOM 682 N ARG A 606 10.830 -3.737 -2.919 1.00 75.11 N ATOM 683 CA ARG A 606 9.924 -3.857 -4.055 1.00 22.21 C ATOM 684 C ARG A 606 9.219 -2.532 -4.330 1.00 1.13 C ATOM 685 O ARG A 606 9.042 -2.140 -5.484 1.00 55.15 O ATOM 686 CB ARG A 606 8.889 -4.952 -3.794 1.00 31.42 C ATOM 687 CG ARG A 606 7.673 -4.871 -4.702 1.00 42.10 C ATOM 688 CD ARG A 606 8.065 -4.976 -6.168 1.00 53.30 C ATOM 689 NE ARG A 606 8.572 -6.302 -6.506 1.00 60.44 N ATOM 690 CZ ARG A 606 9.129 -6.600 -7.674 1.00 61.54 C ATOM 691 NH1 ARG A 606 9.250 -5.671 -8.611 1.00 74.04 N ATOM 692 NH2 ARG A 606 9.568 -7.831 -7.906 1.00 22.01 N ATOM 0 H ARG A 606 10.469 -4.125 -2.048 1.00 75.11 H new ATOM 0 HA ARG A 606 10.514 -4.124 -4.932 1.00 22.21 H new ATOM 0 HB2 ARG A 606 9.363 -5.925 -3.922 1.00 31.42 H new ATOM 0 HB3 ARG A 606 8.561 -4.890 -2.756 1.00 31.42 H new ATOM 0 HG2 ARG A 606 6.977 -5.672 -4.452 1.00 42.10 H new ATOM 0 HG3 ARG A 606 7.151 -3.930 -4.530 1.00 42.10 H new ATOM 0 HD2 ARG A 606 7.200 -4.749 -6.791 1.00 53.30 H new ATOM 0 HD3 ARG A 606 8.826 -4.229 -6.394 1.00 53.30 H new ATOM 0 HE ARG A 606 8.494 -7.040 -5.807 1.00 60.44 H new ATOM 0 HH11 ARG A 606 8.915 -4.724 -8.436 1.00 74.04 H new ATOM 0 HH12 ARG A 606 9.678 -5.903 -9.507 1.00 74.04 H new ATOM 0 HH21 ARG A 606 9.478 -8.549 -7.187 1.00 22.01 H new ATOM 0 HH22 ARG A 606 9.996 -8.059 -8.803 1.00 22.01 H new ATOM 703 N ALA A 607 8.819 -1.848 -3.264 1.00 52.43 N ATOM 704 CA ALA A 607 8.135 -0.566 -3.390 1.00 32.11 C ATOM 705 C ALA A 607 9.129 0.564 -3.637 1.00 22.02 C ATOM 706 O ALA A 607 9.188 1.124 -4.732 1.00 24.42 O ATOM 707 CB ALA A 607 7.310 -0.283 -2.144 1.00 23.15 C ATOM 0 H ALA A 607 8.957 -2.160 -2.303 1.00 52.43 H new ATOM 0 HA ALA A 607 7.467 -0.621 -4.249 1.00 32.11 H new ATOM 0 HB1 ALA A 607 6.805 0.677 -2.252 1.00 23.15 H new ATOM 0 HB2 ALA A 607 6.568 -1.070 -2.012 1.00 23.15 H new ATOM 0 HB3 ALA A 607 7.965 -0.252 -1.273 1.00 23.15 H new ATOM 713 N PHE A 608 9.906 0.897 -2.612 1.00 23.43 N ATOM 714 CA PHE A 608 10.896 1.962 -2.718 1.00 72.33 C ATOM 715 C PHE A 608 12.076 1.525 -3.582 1.00 10.31 C ATOM 716 O PHE A 608 12.718 0.511 -3.308 1.00 10.01 O ATOM 717 CB PHE A 608 11.390 2.367 -1.328 1.00 54.52 C ATOM 718 CG PHE A 608 10.305 2.900 -0.438 1.00 40.42 C ATOM 719 CD1 PHE A 608 9.438 2.037 0.215 1.00 35.31 C ATOM 720 CD2 PHE A 608 10.148 4.265 -0.254 1.00 72.25 C ATOM 721 CE1 PHE A 608 8.438 2.525 1.035 1.00 71.41 C ATOM 722 CE2 PHE A 608 9.150 4.758 0.566 1.00 33.44 C ATOM 723 CZ PHE A 608 8.294 3.887 1.210 1.00 1.54 C ATOM 0 H PHE A 608 9.869 0.445 -1.699 1.00 23.43 H new ATOM 0 HA PHE A 608 10.420 2.820 -3.192 1.00 72.33 H new ATOM 0 HB2 PHE A 608 11.850 1.503 -0.849 1.00 54.52 H new ATOM 0 HB3 PHE A 608 12.167 3.124 -1.434 1.00 54.52 H new ATOM 0 HD1 PHE A 608 9.545 0.971 0.081 1.00 35.31 H new ATOM 0 HD2 PHE A 608 10.813 4.951 -0.757 1.00 72.25 H new ATOM 0 HE1 PHE A 608 7.770 1.842 1.538 1.00 71.41 H new ATOM 0 HE2 PHE A 608 9.040 5.824 0.703 1.00 33.44 H new ATOM 0 HZ PHE A 608 7.513 4.270 1.850 1.00 1.54 H new ATOM 828 N TYR A 616 10.441 -1.505 8.038 1.00 41.54 N ATOM 829 CA TYR A 616 9.307 -2.410 8.180 1.00 32.45 C ATOM 830 C TYR A 616 8.099 -1.683 8.763 1.00 73.10 C ATOM 831 O TYR A 616 6.964 -1.900 8.339 1.00 2.05 O ATOM 832 CB TYR A 616 9.682 -3.595 9.071 1.00 41.21 C ATOM 833 CG TYR A 616 10.480 -3.204 10.294 1.00 75.45 C ATOM 834 CD1 TYR A 616 9.847 -2.792 11.460 1.00 4.13 C ATOM 835 CD2 TYR A 616 11.869 -3.246 10.283 1.00 72.41 C ATOM 836 CE1 TYR A 616 10.573 -2.434 12.579 1.00 3.44 C ATOM 837 CE2 TYR A 616 12.604 -2.891 11.398 1.00 5.41 C ATOM 838 CZ TYR A 616 11.951 -2.485 12.543 1.00 64.21 C ATOM 839 OH TYR A 616 12.679 -2.129 13.656 1.00 44.42 O ATOM 0 HA TYR A 616 9.043 -2.778 7.189 1.00 32.45 H new ATOM 0 HB2 TYR A 616 8.771 -4.102 9.389 1.00 41.21 H new ATOM 0 HB3 TYR A 616 10.258 -4.311 8.485 1.00 41.21 H new ATOM 0 HD1 TYR A 616 8.768 -2.751 11.492 1.00 4.13 H new ATOM 0 HD2 TYR A 616 12.383 -3.562 9.387 1.00 72.41 H new ATOM 0 HE1 TYR A 616 10.065 -2.116 13.477 1.00 3.44 H new ATOM 0 HE2 TYR A 616 13.683 -2.931 11.373 1.00 5.41 H new ATOM 0 HH TYR A 616 13.636 -2.222 13.465 1.00 44.42 H new ATOM 848 N VAL A 617 8.352 -0.817 9.739 1.00 32.11 N ATOM 849 CA VAL A 617 7.288 -0.055 10.380 1.00 65.24 C ATOM 850 C VAL A 617 6.725 1.004 9.439 1.00 74.01 C ATOM 851 O VAL A 617 5.534 1.313 9.476 1.00 21.33 O ATOM 852 CB VAL A 617 7.784 0.630 11.668 1.00 71.53 C ATOM 853 CG1 VAL A 617 8.909 1.605 11.354 1.00 31.13 C ATOM 854 CG2 VAL A 617 6.636 1.336 12.372 1.00 55.14 C ATOM 0 H VAL A 617 9.285 -0.626 10.103 1.00 32.11 H new ATOM 0 HA VAL A 617 6.501 -0.765 10.635 1.00 65.24 H new ATOM 0 HB VAL A 617 8.175 -0.135 12.339 1.00 71.53 H new ATOM 0 HG11 VAL A 617 9.247 2.080 12.275 1.00 31.13 H new ATOM 0 HG12 VAL A 617 9.740 1.067 10.897 1.00 31.13 H new ATOM 0 HG13 VAL A 617 8.547 2.368 10.664 1.00 31.13 H new ATOM 0 HG21 VAL A 617 7.005 1.814 13.280 1.00 55.14 H new ATOM 0 HG22 VAL A 617 6.213 2.092 11.710 1.00 55.14 H new ATOM 0 HG23 VAL A 617 5.866 0.609 12.632 1.00 55.14 H new ATOM 864 N ASP A 618 7.591 1.558 8.596 1.00 44.41 N ATOM 865 CA ASP A 618 7.180 2.583 7.643 1.00 64.52 C ATOM 866 C ASP A 618 6.128 2.039 6.682 1.00 40.32 C ATOM 867 O ASP A 618 5.066 2.639 6.504 1.00 61.55 O ATOM 868 CB ASP A 618 8.390 3.093 6.859 1.00 43.21 C ATOM 869 CG ASP A 618 8.752 4.520 7.217 1.00 40.12 C ATOM 870 OD1 ASP A 618 9.019 4.784 8.408 1.00 74.31 O ATOM 871 OD2 ASP A 618 8.768 5.375 6.306 1.00 70.31 O ATOM 0 H ASP A 618 8.581 1.315 8.553 1.00 44.41 H new ATOM 0 HA ASP A 618 6.743 3.411 8.201 1.00 64.52 H new ATOM 0 HB2 ASP A 618 9.245 2.445 7.053 1.00 43.21 H new ATOM 0 HB3 ASP A 618 8.180 3.032 5.791 1.00 43.21 H new ATOM 875 N LEU A 619 6.429 0.903 6.063 1.00 45.35 N ATOM 876 CA LEU A 619 5.508 0.279 5.119 1.00 40.13 C ATOM 877 C LEU A 619 4.346 -0.387 5.850 1.00 32.12 C ATOM 878 O LEU A 619 3.248 -0.513 5.307 1.00 1.22 O ATOM 879 CB LEU A 619 6.246 -0.753 4.264 1.00 14.45 C ATOM 880 CG LEU A 619 6.964 -1.867 5.026 1.00 51.54 C ATOM 881 CD1 LEU A 619 6.166 -3.160 4.960 1.00 11.42 C ATOM 882 CD2 LEU A 619 8.366 -2.074 4.472 1.00 41.32 C ATOM 0 H LEU A 619 7.303 0.395 6.198 1.00 45.35 H new ATOM 0 HA LEU A 619 5.106 1.059 4.472 1.00 40.13 H new ATOM 0 HB2 LEU A 619 5.529 -1.210 3.583 1.00 14.45 H new ATOM 0 HB3 LEU A 619 6.979 -0.229 3.650 1.00 14.45 H new ATOM 0 HG LEU A 619 7.048 -1.570 6.071 1.00 51.54 H new ATOM 0 HD11 LEU A 619 6.693 -3.941 5.508 1.00 11.42 H new ATOM 0 HD12 LEU A 619 5.183 -3.004 5.405 1.00 11.42 H new ATOM 0 HD13 LEU A 619 6.049 -3.463 3.919 1.00 11.42 H new ATOM 0 HD21 LEU A 619 8.862 -2.871 5.026 1.00 41.32 H new ATOM 0 HD22 LEU A 619 8.304 -2.349 3.419 1.00 41.32 H new ATOM 0 HD23 LEU A 619 8.937 -1.151 4.573 1.00 41.32 H new ATOM 893 N LYS A 620 4.594 -0.808 7.084 1.00 63.31 N ATOM 894 CA LYS A 620 3.569 -1.458 7.893 1.00 12.41 C ATOM 895 C LYS A 620 2.494 -0.460 8.312 1.00 63.03 C ATOM 896 O LYS A 620 1.314 -0.801 8.390 1.00 12.42 O ATOM 897 CB LYS A 620 4.197 -2.099 9.132 1.00 71.11 C ATOM 898 CG LYS A 620 3.182 -2.714 10.079 1.00 65.20 C ATOM 899 CD LYS A 620 3.854 -3.578 11.133 1.00 42.24 C ATOM 900 CE LYS A 620 4.222 -2.767 12.366 1.00 73.41 C ATOM 901 NZ LYS A 620 3.046 -2.537 13.250 1.00 54.13 N ATOM 0 H LYS A 620 5.497 -0.711 7.548 1.00 63.31 H new ATOM 0 HA LYS A 620 3.103 -2.235 7.288 1.00 12.41 H new ATOM 0 HB2 LYS A 620 4.900 -2.870 8.815 1.00 71.11 H new ATOM 0 HB3 LYS A 620 4.772 -1.345 9.669 1.00 71.11 H new ATOM 0 HG2 LYS A 620 2.611 -1.923 10.566 1.00 65.20 H new ATOM 0 HG3 LYS A 620 2.472 -3.316 9.512 1.00 65.20 H new ATOM 0 HD2 LYS A 620 3.187 -4.392 11.417 1.00 42.24 H new ATOM 0 HD3 LYS A 620 4.752 -4.033 10.714 1.00 42.24 H new ATOM 0 HE2 LYS A 620 5.000 -3.288 12.924 1.00 73.41 H new ATOM 0 HE3 LYS A 620 4.638 -1.808 12.059 1.00 73.41 H new ATOM 0 HZ1 LYS A 620 3.338 -1.981 14.079 1.00 54.13 H new ATOM 0 HZ2 LYS A 620 2.314 -2.018 12.725 1.00 54.13 H new ATOM 0 HZ3 LYS A 620 2.664 -3.452 13.564 1.00 54.13 H new ATOM 911 N ASP A 621 2.910 0.773 8.581 1.00 32.42 N ATOM 912 CA ASP A 621 1.983 1.820 8.990 1.00 40.32 C ATOM 913 C ASP A 621 1.111 2.262 7.819 1.00 11.52 C ATOM 914 O ASP A 621 -0.107 2.384 7.948 1.00 23.23 O ATOM 915 CB ASP A 621 2.749 3.019 9.552 1.00 64.44 C ATOM 916 CG ASP A 621 1.900 3.865 10.480 1.00 62.53 C ATOM 917 OD1 ASP A 621 1.534 3.369 11.566 1.00 65.23 O ATOM 918 OD2 ASP A 621 1.602 5.024 10.121 1.00 71.54 O ATOM 0 H ASP A 621 3.884 1.071 8.523 1.00 32.42 H new ATOM 0 HA ASP A 621 1.337 1.414 9.768 1.00 40.32 H new ATOM 0 HB2 ASP A 621 3.628 2.665 10.090 1.00 64.44 H new ATOM 0 HB3 ASP A 621 3.107 3.636 8.728 1.00 64.44 H new ATOM 922 N LYS A 622 1.743 2.503 6.675 1.00 1.31 N ATOM 923 CA LYS A 622 1.027 2.932 5.480 1.00 53.00 C ATOM 924 C LYS A 622 0.092 1.834 4.982 1.00 73.50 C ATOM 925 O LYS A 622 -0.952 2.113 4.395 1.00 14.24 O ATOM 926 CB LYS A 622 2.016 3.314 4.377 1.00 11.24 C ATOM 927 CG LYS A 622 2.443 4.772 4.420 1.00 62.50 C ATOM 928 CD LYS A 622 3.087 5.125 5.751 1.00 4.14 C ATOM 929 CE LYS A 622 2.104 5.824 6.676 1.00 53.20 C ATOM 930 NZ LYS A 622 2.764 6.313 7.918 1.00 43.23 N ATOM 0 H LYS A 622 2.751 2.408 6.551 1.00 1.31 H new ATOM 0 HA LYS A 622 0.428 3.805 5.740 1.00 53.00 H new ATOM 0 HB2 LYS A 622 2.901 2.683 4.459 1.00 11.24 H new ATOM 0 HB3 LYS A 622 1.564 3.105 3.407 1.00 11.24 H new ATOM 0 HG2 LYS A 622 3.146 4.970 3.611 1.00 62.50 H new ATOM 0 HG3 LYS A 622 1.576 5.411 4.253 1.00 62.50 H new ATOM 0 HD2 LYS A 622 3.457 4.218 6.229 1.00 4.14 H new ATOM 0 HD3 LYS A 622 3.949 5.770 5.580 1.00 4.14 H new ATOM 0 HE2 LYS A 622 1.647 6.664 6.153 1.00 53.20 H new ATOM 0 HE3 LYS A 622 1.300 5.136 6.938 1.00 53.20 H new ATOM 0 HZ1 LYS A 622 2.442 5.746 8.728 1.00 43.23 H new ATOM 0 HZ2 LYS A 622 3.796 6.224 7.821 1.00 43.23 H new ATOM 0 HZ3 LYS A 622 2.515 7.311 8.073 1.00 43.23 H new ATOM 940 N TRP A 623 0.476 0.585 5.221 1.00 31.24 N ATOM 941 CA TRP A 623 -0.328 -0.555 4.798 1.00 22.35 C ATOM 942 C TRP A 623 -1.593 -0.674 5.642 1.00 70.15 C ATOM 943 O TRP A 623 -2.704 -0.706 5.113 1.00 41.44 O ATOM 944 CB TRP A 623 0.487 -1.846 4.895 1.00 52.13 C ATOM 945 CG TRP A 623 -0.349 -3.058 5.173 1.00 71.35 C ATOM 946 CD1 TRP A 623 -1.408 -3.509 4.439 1.00 2.43 C ATOM 947 CD2 TRP A 623 -0.196 -3.972 6.265 1.00 5.35 C ATOM 948 NE1 TRP A 623 -1.923 -4.649 5.007 1.00 41.33 N ATOM 949 CE2 TRP A 623 -1.197 -4.954 6.128 1.00 61.22 C ATOM 950 CE3 TRP A 623 0.689 -4.058 7.342 1.00 11.14 C ATOM 951 CZ2 TRP A 623 -1.335 -6.006 7.030 1.00 13.50 C ATOM 952 CZ3 TRP A 623 0.550 -5.103 8.236 1.00 10.11 C ATOM 953 CH2 TRP A 623 -0.455 -6.065 8.076 1.00 32.33 C ATOM 0 H TRP A 623 1.339 0.337 5.705 1.00 31.24 H new ATOM 0 HA TRP A 623 -0.620 -0.395 3.760 1.00 22.35 H new ATOM 0 HB2 TRP A 623 1.030 -1.995 3.962 1.00 52.13 H new ATOM 0 HB3 TRP A 623 1.232 -1.739 5.684 1.00 52.13 H new ATOM 0 HD1 TRP A 623 -1.786 -3.039 3.543 1.00 2.43 H new ATOM 0 HE1 TRP A 623 -2.717 -5.182 4.652 1.00 41.33 H new ATOM 0 HE3 TRP A 623 1.468 -3.321 7.474 1.00 11.14 H new ATOM 0 HZ2 TRP A 623 -2.109 -6.749 6.908 1.00 13.50 H new ATOM 0 HZ3 TRP A 623 1.229 -5.179 9.073 1.00 10.11 H new ATOM 0 HH2 TRP A 623 -0.537 -6.869 8.792 1.00 32.33 H new ATOM 963 N LYS A 624 -1.416 -0.739 6.958 1.00 14.24 N ATOM 964 CA LYS A 624 -2.542 -0.852 7.877 1.00 2.24 C ATOM 965 C LYS A 624 -3.594 0.213 7.582 1.00 30.23 C ATOM 966 O LYS A 624 -4.783 -0.087 7.470 1.00 34.31 O ATOM 967 CB LYS A 624 -2.061 -0.722 9.323 1.00 62.21 C ATOM 968 CG LYS A 624 -2.900 -1.509 10.315 1.00 61.14 C ATOM 969 CD LYS A 624 -4.046 -0.674 10.863 1.00 32.25 C ATOM 970 CE LYS A 624 -4.553 -1.223 12.188 1.00 11.23 C ATOM 971 NZ LYS A 624 -5.312 -0.199 12.958 1.00 11.24 N ATOM 0 H LYS A 624 -0.503 -0.715 7.412 1.00 14.24 H new ATOM 0 HA LYS A 624 -2.995 -1.834 7.738 1.00 2.24 H new ATOM 0 HB2 LYS A 624 -1.027 -1.061 9.385 1.00 62.21 H new ATOM 0 HB3 LYS A 624 -2.069 0.330 9.607 1.00 62.21 H new ATOM 0 HG2 LYS A 624 -3.298 -2.400 9.830 1.00 61.14 H new ATOM 0 HG3 LYS A 624 -2.270 -1.848 11.137 1.00 61.14 H new ATOM 0 HD2 LYS A 624 -3.715 0.356 10.998 1.00 32.25 H new ATOM 0 HD3 LYS A 624 -4.862 -0.655 10.140 1.00 32.25 H new ATOM 0 HE2 LYS A 624 -5.193 -2.086 12.003 1.00 11.23 H new ATOM 0 HE3 LYS A 624 -3.709 -1.573 12.783 1.00 11.23 H new ATOM 0 HZ1 LYS A 624 -5.641 -0.612 13.854 1.00 11.24 H new ATOM 0 HZ2 LYS A 624 -4.695 0.614 13.157 1.00 11.24 H new ATOM 0 HZ3 LYS A 624 -6.132 0.117 12.401 1.00 11.24 H new ATOM 981 N THR A 625 -3.148 1.459 7.455 1.00 44.45 N ATOM 982 CA THR A 625 -4.050 2.569 7.174 1.00 1.24 C ATOM 983 C THR A 625 -4.703 2.412 5.805 1.00 45.23 C ATOM 984 O THR A 625 -5.837 2.847 5.593 1.00 22.20 O ATOM 985 CB THR A 625 -3.313 3.920 7.226 1.00 13.34 C ATOM 986 OG1 THR A 625 -4.246 4.994 7.056 1.00 61.35 O ATOM 987 CG2 THR A 625 -2.244 3.995 6.147 1.00 22.44 C ATOM 0 H THR A 625 -2.167 1.725 7.542 1.00 44.45 H new ATOM 0 HA THR A 625 -4.820 2.554 7.946 1.00 1.24 H new ATOM 0 HB THR A 625 -2.831 4.009 8.200 1.00 13.34 H new ATOM 0 HG1 THR A 625 -3.770 5.850 7.092 1.00 61.35 H new ATOM 0 HG21 THR A 625 -1.737 4.958 6.203 1.00 22.44 H new ATOM 0 HG22 THR A 625 -1.520 3.194 6.296 1.00 22.44 H new ATOM 0 HG23 THR A 625 -2.708 3.886 5.167 1.00 22.44 H new ATOM 995 N LEU A 626 -3.984 1.788 4.879 1.00 24.22 N ATOM 996 CA LEU A 626 -4.495 1.573 3.530 1.00 35.42 C ATOM 997 C LEU A 626 -5.734 0.683 3.551 1.00 75.53 C ATOM 998 O LEU A 626 -6.781 1.046 3.018 1.00 10.50 O ATOM 999 CB LEU A 626 -3.414 0.941 2.650 1.00 15.21 C ATOM 1000 CG LEU A 626 -3.117 1.660 1.333 1.00 15.31 C ATOM 1001 CD1 LEU A 626 -1.996 0.958 0.583 1.00 74.14 C ATOM 1002 CD2 LEU A 626 -4.369 1.739 0.472 1.00 64.25 C ATOM 0 H LEU A 626 -3.045 1.422 5.038 1.00 24.22 H new ATOM 0 HA LEU A 626 -4.774 2.542 3.115 1.00 35.42 H new ATOM 0 HB2 LEU A 626 -2.491 0.885 3.227 1.00 15.21 H new ATOM 0 HB3 LEU A 626 -3.711 -0.083 2.423 1.00 15.21 H new ATOM 0 HG LEU A 626 -2.794 2.676 1.562 1.00 15.31 H new ATOM 0 HD11 LEU A 626 -1.799 1.483 -0.351 1.00 74.14 H new ATOM 0 HD12 LEU A 626 -1.094 0.955 1.195 1.00 74.14 H new ATOM 0 HD13 LEU A 626 -2.290 -0.069 0.366 1.00 74.14 H new ATOM 0 HD21 LEU A 626 -4.137 2.254 -0.460 1.00 64.25 H new ATOM 0 HD22 LEU A 626 -4.724 0.732 0.252 1.00 64.25 H new ATOM 0 HD23 LEU A 626 -5.144 2.288 1.007 1.00 64.25 H new ATOM 1013 N VAL A 627 -5.605 -0.485 4.174 1.00 13.42 N ATOM 1014 CA VAL A 627 -6.715 -1.426 4.268 1.00 2.14 C ATOM 1015 C VAL A 627 -7.939 -0.771 4.898 1.00 11.43 C ATOM 1016 O VAL A 627 -9.031 -0.791 4.328 1.00 75.41 O ATOM 1017 CB VAL A 627 -6.329 -2.668 5.093 1.00 51.53 C ATOM 1018 CG1 VAL A 627 -7.547 -3.545 5.341 1.00 40.20 C ATOM 1019 CG2 VAL A 627 -5.231 -3.453 4.393 1.00 14.11 C ATOM 0 H VAL A 627 -4.744 -0.801 4.620 1.00 13.42 H new ATOM 0 HA VAL A 627 -6.955 -1.735 3.251 1.00 2.14 H new ATOM 0 HB VAL A 627 -5.947 -2.336 6.059 1.00 51.53 H new ATOM 0 HG11 VAL A 627 -7.254 -4.417 5.925 1.00 40.20 H new ATOM 0 HG12 VAL A 627 -8.299 -2.977 5.889 1.00 40.20 H new ATOM 0 HG13 VAL A 627 -7.962 -3.870 4.387 1.00 40.20 H new ATOM 0 HG21 VAL A 627 -4.971 -4.327 4.990 1.00 14.11 H new ATOM 0 HG22 VAL A 627 -5.582 -3.775 3.413 1.00 14.11 H new ATOM 0 HG23 VAL A 627 -4.351 -2.821 4.273 1.00 14.11 H new ATOM 1029 N HIS A 628 -7.750 -0.188 6.079 1.00 23.55 N ATOM 1030 CA HIS A 628 -8.839 0.475 6.787 1.00 21.35 C ATOM 1031 C HIS A 628 -9.537 1.489 5.884 1.00 23.34 C ATOM 1032 O HIS A 628 -10.753 1.669 5.958 1.00 74.32 O ATOM 1033 CB HIS A 628 -8.311 1.171 8.041 1.00 63.21 C ATOM 1034 CG HIS A 628 -8.252 0.278 9.242 1.00 64.32 C ATOM 1035 ND1 HIS A 628 -7.511 -0.883 9.281 1.00 21.34 N ATOM 1036 CD2 HIS A 628 -8.848 0.382 10.453 1.00 53.15 C ATOM 1037 CE1 HIS A 628 -7.653 -1.456 10.463 1.00 11.42 C ATOM 1038 NE2 HIS A 628 -8.460 -0.707 11.193 1.00 41.01 N ATOM 0 H HIS A 628 -6.853 -0.162 6.565 1.00 23.55 H new ATOM 0 HA HIS A 628 -9.564 -0.284 7.080 1.00 21.35 H new ATOM 0 HB2 HIS A 628 -7.313 1.559 7.838 1.00 63.21 H new ATOM 0 HB3 HIS A 628 -8.947 2.027 8.266 1.00 63.21 H new ATOM 0 HD2 HIS A 628 -9.506 1.175 10.777 1.00 53.15 H new ATOM 0 HE1 HIS A 628 -7.189 -2.379 10.778 1.00 11.42 H new ATOM 0 HE2 HIS A 628 -8.748 -0.906 12.151 1.00 41.01 H new ATOM 1045 N THR A 629 -8.759 2.148 5.031 1.00 25.03 N ATOM 1046 CA THR A 629 -9.301 3.144 4.115 1.00 43.34 C ATOM 1047 C THR A 629 -10.197 2.496 3.065 1.00 74.32 C ATOM 1048 O THR A 629 -11.141 3.114 2.575 1.00 24.41 O ATOM 1049 CB THR A 629 -8.179 3.926 3.406 1.00 64.33 C ATOM 1050 OG1 THR A 629 -7.487 4.752 4.348 1.00 41.33 O ATOM 1051 CG2 THR A 629 -8.743 4.787 2.286 1.00 65.55 C ATOM 0 H THR A 629 -7.751 2.010 4.955 1.00 25.03 H new ATOM 0 HA THR A 629 -9.892 3.836 4.715 1.00 43.34 H new ATOM 0 HB THR A 629 -7.483 3.207 2.974 1.00 64.33 H new ATOM 0 HG1 THR A 629 -6.862 4.204 4.867 1.00 41.33 H new ATOM 0 HG21 THR A 629 -7.932 5.329 1.800 1.00 65.55 H new ATOM 0 HG22 THR A 629 -9.243 4.152 1.555 1.00 65.55 H new ATOM 0 HG23 THR A 629 -9.459 5.498 2.699 1.00 65.55 H new ATOM 1059 N ALA A 630 -9.893 1.248 2.725 1.00 62.03 N ATOM 1060 CA ALA A 630 -10.672 0.515 1.734 1.00 52.34 C ATOM 1061 C ALA A 630 -12.154 0.515 2.093 1.00 41.34 C ATOM 1062 O ALA A 630 -13.005 0.811 1.254 1.00 42.43 O ATOM 1063 CB ALA A 630 -10.157 -0.910 1.608 1.00 22.24 C ATOM 0 H ALA A 630 -9.113 0.723 3.121 1.00 62.03 H new ATOM 0 HA ALA A 630 -10.558 1.017 0.773 1.00 52.34 H new ATOM 0 HB1 ALA A 630 -10.748 -1.446 0.865 1.00 22.24 H new ATOM 0 HB2 ALA A 630 -9.112 -0.893 1.298 1.00 22.24 H new ATOM 0 HB3 ALA A 630 -10.242 -1.414 2.571 1.00 22.24 H new ATOM 1069 N SER A 631 -12.456 0.180 3.344 1.00 4.12 N ATOM 1070 CA SER A 631 -13.836 0.136 3.812 1.00 14.34 C ATOM 1071 C SER A 631 -13.926 -0.537 5.178 1.00 14.00 C ATOM 1072 O SER A 631 -14.487 -1.626 5.309 1.00 72.03 O ATOM 1073 CB SER A 631 -14.715 -0.608 2.804 1.00 42.31 C ATOM 1074 OG SER A 631 -13.978 -1.611 2.128 1.00 11.12 O ATOM 0 H SER A 631 -11.763 -0.065 4.051 1.00 4.12 H new ATOM 0 HA SER A 631 -14.194 1.161 3.908 1.00 14.34 H new ATOM 0 HB2 SER A 631 -15.562 -1.060 3.320 1.00 42.31 H new ATOM 0 HB3 SER A 631 -15.122 0.098 2.081 1.00 42.31 H new ATOM 0 HG SER A 631 -14.562 -2.073 1.491 1.00 11.12 H new ATOM 1079 N ILE A 632 -13.369 0.118 6.191 1.00 1.54 N ATOM 1080 CA ILE A 632 -13.387 -0.416 7.547 1.00 61.22 C ATOM 1081 C ILE A 632 -13.990 0.587 8.525 1.00 24.34 C ATOM 1082 O ILE A 632 -15.142 0.451 8.937 1.00 41.04 O ATOM 1083 CB ILE A 632 -11.971 -0.792 8.022 1.00 64.43 C ATOM 1084 CG1 ILE A 632 -11.488 -2.056 7.308 1.00 42.11 C ATOM 1085 CG2 ILE A 632 -11.954 -0.990 9.531 1.00 30.31 C ATOM 1086 CD1 ILE A 632 -11.194 -1.845 5.839 1.00 62.12 C ATOM 0 H ILE A 632 -12.900 1.019 6.098 1.00 1.54 H new ATOM 0 HA ILE A 632 -14.005 -1.314 7.525 1.00 61.22 H new ATOM 0 HB ILE A 632 -11.292 0.024 7.774 1.00 64.43 H new ATOM 0 HG12 ILE A 632 -10.587 -2.421 7.802 1.00 42.11 H new ATOM 0 HG13 ILE A 632 -12.245 -2.833 7.411 1.00 42.11 H new ATOM 0 HG21 ILE A 632 -10.947 -1.255 9.852 1.00 30.31 H new ATOM 0 HG22 ILE A 632 -12.260 -0.067 10.023 1.00 30.31 H new ATOM 0 HG23 ILE A 632 -12.643 -1.790 9.801 1.00 30.31 H new ATOM 0 HD11 ILE A 632 -10.856 -2.783 5.397 1.00 62.12 H new ATOM 0 HD12 ILE A 632 -12.098 -1.510 5.331 1.00 62.12 H new ATOM 0 HD13 ILE A 632 -10.415 -1.091 5.729 1.00 62.12 H new ATOM 1097 N ALA A 633 -13.204 1.594 8.891 1.00 62.21 N ATOM 1098 CA ALA A 633 -13.662 2.622 9.818 1.00 3.13 C ATOM 1099 C ALA A 633 -13.986 3.918 9.083 1.00 22.22 C ATOM 1100 O ALA A 633 -13.221 4.391 8.242 1.00 40.51 O ATOM 1101 CB ALA A 633 -12.613 2.870 10.891 1.00 32.12 C ATOM 0 H ALA A 633 -12.247 1.720 8.560 1.00 62.21 H new ATOM 0 HA ALA A 633 -14.576 2.266 10.294 1.00 3.13 H new ATOM 0 HB1 ALA A 633 -12.968 3.640 11.576 1.00 32.12 H new ATOM 0 HB2 ALA A 633 -12.432 1.948 11.443 1.00 32.12 H new ATOM 0 HB3 ALA A 633 -11.685 3.200 10.424 1.00 32.12 H new ATOM 1210 N PRO A 641 -8.901 11.928 -2.324 1.00 45.23 N ATOM 1211 CA PRO A 641 -9.481 10.884 -3.173 1.00 10.54 C ATOM 1212 C PRO A 641 -8.562 9.675 -3.316 1.00 44.44 C ATOM 1213 O PRO A 641 -7.426 9.797 -3.772 1.00 73.20 O ATOM 1214 CB PRO A 641 -9.658 11.583 -4.524 1.00 13.13 C ATOM 1215 CG PRO A 641 -8.641 12.671 -4.523 1.00 41.55 C ATOM 1216 CD PRO A 641 -8.521 13.125 -3.094 1.00 30.22 C ATOM 0 HA PRO A 641 -10.408 10.489 -2.757 1.00 10.54 H new ATOM 0 HB2 PRO A 641 -9.498 10.892 -5.351 1.00 13.13 H new ATOM 0 HB3 PRO A 641 -10.666 11.983 -4.634 1.00 13.13 H new ATOM 0 HG2 PRO A 641 -7.684 12.311 -4.900 1.00 41.55 H new ATOM 0 HG3 PRO A 641 -8.949 13.493 -5.169 1.00 41.55 H new ATOM 0 HD2 PRO A 641 -7.507 13.449 -2.859 1.00 30.22 H new ATOM 0 HD3 PRO A 641 -9.182 13.966 -2.882 1.00 30.22 H new ATOM 1221 N VAL A 642 -9.062 8.508 -2.922 1.00 63.21 N ATOM 1222 CA VAL A 642 -8.287 7.277 -3.007 1.00 63.51 C ATOM 1223 C VAL A 642 -8.817 6.368 -4.110 1.00 22.43 C ATOM 1224 O VAL A 642 -10.021 6.136 -4.231 1.00 34.23 O ATOM 1225 CB VAL A 642 -8.304 6.509 -1.672 1.00 62.23 C ATOM 1226 CG1 VAL A 642 -7.271 5.393 -1.684 1.00 31.41 C ATOM 1227 CG2 VAL A 642 -8.060 7.459 -0.509 1.00 72.13 C ATOM 0 H VAL A 642 -10.001 8.390 -2.541 1.00 63.21 H new ATOM 0 HA VAL A 642 -7.262 7.565 -3.239 1.00 63.51 H new ATOM 0 HB VAL A 642 -9.288 6.059 -1.544 1.00 62.23 H new ATOM 0 HG11 VAL A 642 -7.298 4.862 -0.733 1.00 31.41 H new ATOM 0 HG12 VAL A 642 -7.495 4.699 -2.494 1.00 31.41 H new ATOM 0 HG13 VAL A 642 -6.278 5.818 -1.834 1.00 31.41 H new ATOM 0 HG21 VAL A 642 -8.075 6.900 0.427 1.00 72.13 H new ATOM 0 HG22 VAL A 642 -7.089 7.939 -0.629 1.00 72.13 H new ATOM 0 HG23 VAL A 642 -8.841 8.219 -0.490 1.00 72.13 H new ATOM 1237 N PRO A 643 -7.900 5.839 -4.934 1.00 43.12 N ATOM 1238 CA PRO A 643 -8.252 4.946 -6.041 1.00 24.14 C ATOM 1239 C PRO A 643 -8.743 3.586 -5.556 1.00 14.02 C ATOM 1240 O PRO A 643 -8.085 2.933 -4.745 1.00 4.35 O ATOM 1241 CB PRO A 643 -6.937 4.797 -6.809 1.00 30.13 C ATOM 1242 CG PRO A 643 -5.876 5.057 -5.796 1.00 15.33 C ATOM 1243 CD PRO A 643 -6.449 6.073 -4.848 1.00 41.02 C ATOM 0 HA PRO A 643 -9.069 5.345 -6.642 1.00 24.14 H new ATOM 0 HB2 PRO A 643 -6.839 3.800 -7.237 1.00 30.13 H new ATOM 0 HB3 PRO A 643 -6.878 5.506 -7.635 1.00 30.13 H new ATOM 0 HG2 PRO A 643 -5.606 4.141 -5.270 1.00 15.33 H new ATOM 0 HG3 PRO A 643 -4.969 5.433 -6.269 1.00 15.33 H new ATOM 0 HD2 PRO A 643 -6.078 5.930 -3.833 1.00 41.02 H new ATOM 0 HD3 PRO A 643 -6.188 7.089 -5.142 1.00 41.02 H new ATOM 1248 N GLN A 644 -9.899 3.166 -6.057 1.00 24.12 N ATOM 1249 CA GLN A 644 -10.477 1.883 -5.673 1.00 13.23 C ATOM 1250 C GLN A 644 -9.572 0.731 -6.096 1.00 21.24 C ATOM 1251 O GLN A 644 -9.677 -0.379 -5.573 1.00 50.35 O ATOM 1252 CB GLN A 644 -11.862 1.715 -6.299 1.00 12.44 C ATOM 1253 CG GLN A 644 -12.640 0.533 -5.746 1.00 3.15 C ATOM 1254 CD GLN A 644 -14.135 0.659 -5.974 1.00 35.33 C ATOM 1255 OE1 GLN A 644 -14.648 0.277 -7.026 1.00 21.43 O ATOM 1256 NE2 GLN A 644 -14.840 1.197 -4.987 1.00 44.11 N ATOM 0 H GLN A 644 -10.454 3.695 -6.730 1.00 24.12 H new ATOM 0 HA GLN A 644 -10.573 1.867 -4.587 1.00 13.23 H new ATOM 0 HB2 GLN A 644 -12.438 2.626 -6.137 1.00 12.44 H new ATOM 0 HB3 GLN A 644 -11.752 1.595 -7.377 1.00 12.44 H new ATOM 0 HG2 GLN A 644 -12.281 -0.384 -6.213 1.00 3.15 H new ATOM 0 HG3 GLN A 644 -12.446 0.443 -4.677 1.00 3.15 H new ATOM 0 HE21 GLN A 644 -14.373 1.500 -4.132 1.00 44.11 H new ATOM 0 HE22 GLN A 644 -15.849 1.308 -5.083 1.00 44.11 H new ATOM 1263 N ASP A 645 -8.684 1.000 -7.047 1.00 14.21 N ATOM 1264 CA ASP A 645 -7.760 -0.014 -7.540 1.00 2.13 C ATOM 1265 C ASP A 645 -6.829 -0.488 -6.428 1.00 4.43 C ATOM 1266 O ASP A 645 -6.592 -1.687 -6.272 1.00 53.43 O ATOM 1267 CB ASP A 645 -6.941 0.536 -8.708 1.00 55.02 C ATOM 1268 CG ASP A 645 -6.312 -0.561 -9.543 1.00 22.22 C ATOM 1269 OD1 ASP A 645 -7.038 -1.191 -10.340 1.00 32.42 O ATOM 1270 OD2 ASP A 645 -5.093 -0.791 -9.399 1.00 32.23 O ATOM 0 H ASP A 645 -8.585 1.912 -7.492 1.00 14.21 H new ATOM 0 HA ASP A 645 -8.346 -0.866 -7.887 1.00 2.13 H new ATOM 0 HB2 ASP A 645 -7.583 1.148 -9.342 1.00 55.02 H new ATOM 0 HB3 ASP A 645 -6.158 1.189 -8.323 1.00 55.02 H new ATOM 1274 N LEU A 646 -6.304 0.460 -5.659 1.00 10.24 N ATOM 1275 CA LEU A 646 -5.398 0.139 -4.562 1.00 54.33 C ATOM 1276 C LEU A 646 -6.162 -0.435 -3.375 1.00 62.03 C ATOM 1277 O LEU A 646 -5.749 -1.431 -2.780 1.00 65.44 O ATOM 1278 CB LEU A 646 -4.627 1.389 -4.131 1.00 20.51 C ATOM 1279 CG LEU A 646 -3.942 2.174 -5.250 1.00 64.04 C ATOM 1280 CD1 LEU A 646 -3.219 3.387 -4.685 1.00 14.11 C ATOM 1281 CD2 LEU A 646 -2.975 1.282 -6.013 1.00 75.43 C ATOM 0 H LEU A 646 -6.490 1.456 -5.775 1.00 10.24 H new ATOM 0 HA LEU A 646 -4.692 -0.614 -4.914 1.00 54.33 H new ATOM 0 HB2 LEU A 646 -5.317 2.057 -3.615 1.00 20.51 H new ATOM 0 HB3 LEU A 646 -3.869 1.092 -3.406 1.00 20.51 H new ATOM 0 HG LEU A 646 -4.707 2.523 -5.944 1.00 64.04 H new ATOM 0 HD11 LEU A 646 -2.737 3.934 -5.496 1.00 14.11 H new ATOM 0 HD12 LEU A 646 -3.936 4.038 -4.184 1.00 14.11 H new ATOM 0 HD13 LEU A 646 -2.465 3.060 -3.969 1.00 14.11 H new ATOM 0 HD21 LEU A 646 -2.497 1.858 -6.805 1.00 75.43 H new ATOM 0 HD22 LEU A 646 -2.214 0.903 -5.331 1.00 75.43 H new ATOM 0 HD23 LEU A 646 -3.520 0.445 -6.451 1.00 75.43 H new ATOM 1292 N LEU A 647 -7.281 0.197 -3.036 1.00 71.44 N ATOM 1293 CA LEU A 647 -8.106 -0.253 -1.920 1.00 43.00 C ATOM 1294 C LEU A 647 -8.642 -1.659 -2.171 1.00 35.30 C ATOM 1295 O LEU A 647 -8.725 -2.476 -1.253 1.00 53.23 O ATOM 1296 CB LEU A 647 -9.268 0.715 -1.696 1.00 55.22 C ATOM 1297 CG LEU A 647 -8.890 2.120 -1.222 1.00 21.24 C ATOM 1298 CD1 LEU A 647 -10.137 2.924 -0.888 1.00 23.10 C ATOM 1299 CD2 LEU A 647 -7.962 2.045 -0.018 1.00 0.24 C ATOM 0 H LEU A 647 -7.638 1.022 -3.518 1.00 71.44 H new ATOM 0 HA LEU A 647 -7.483 -0.276 -1.026 1.00 43.00 H new ATOM 0 HB2 LEU A 647 -9.824 0.805 -2.629 1.00 55.22 H new ATOM 0 HB3 LEU A 647 -9.944 0.276 -0.963 1.00 55.22 H new ATOM 0 HG LEU A 647 -8.363 2.626 -2.031 1.00 21.24 H new ATOM 0 HD11 LEU A 647 -9.849 3.920 -0.553 1.00 23.10 H new ATOM 0 HD12 LEU A 647 -10.765 3.007 -1.775 1.00 23.10 H new ATOM 0 HD13 LEU A 647 -10.693 2.421 -0.096 1.00 23.10 H new ATOM 0 HD21 LEU A 647 -7.704 3.053 0.306 1.00 0.24 H new ATOM 0 HD22 LEU A 647 -8.463 1.520 0.795 1.00 0.24 H new ATOM 0 HD23 LEU A 647 -7.054 1.508 -0.291 1.00 0.24 H new ATOM 1310 N ASP A 648 -9.002 -1.935 -3.420 1.00 42.45 N ATOM 1311 CA ASP A 648 -9.527 -3.243 -3.793 1.00 40.23 C ATOM 1312 C ASP A 648 -8.416 -4.289 -3.813 1.00 50.33 C ATOM 1313 O ASP A 648 -8.654 -5.466 -3.545 1.00 72.11 O ATOM 1314 CB ASP A 648 -10.203 -3.173 -5.162 1.00 2.54 C ATOM 1315 CG ASP A 648 -10.917 -4.461 -5.522 1.00 22.32 C ATOM 1316 OD1 ASP A 648 -11.693 -4.965 -4.683 1.00 12.40 O ATOM 1317 OD2 ASP A 648 -10.700 -4.966 -6.644 1.00 73.43 O ATOM 0 H ASP A 648 -8.940 -1.270 -4.191 1.00 42.45 H new ATOM 0 HA ASP A 648 -10.265 -3.537 -3.047 1.00 40.23 H new ATOM 0 HB2 ASP A 648 -10.918 -2.350 -5.169 1.00 2.54 H new ATOM 0 HB3 ASP A 648 -9.454 -2.951 -5.923 1.00 2.54 H new ATOM 1321 N ARG A 649 -7.203 -3.849 -4.133 1.00 21.40 N ATOM 1322 CA ARG A 649 -6.056 -4.748 -4.190 1.00 11.12 C ATOM 1323 C ARG A 649 -5.605 -5.145 -2.787 1.00 2.35 C ATOM 1324 O ARG A 649 -5.407 -6.325 -2.499 1.00 31.12 O ATOM 1325 CB ARG A 649 -4.899 -4.085 -4.940 1.00 2.31 C ATOM 1326 CG ARG A 649 -4.894 -4.377 -6.432 1.00 63.43 C ATOM 1327 CD ARG A 649 -3.477 -4.454 -6.980 1.00 72.01 C ATOM 1328 NE ARG A 649 -3.460 -4.652 -8.426 1.00 35.40 N ATOM 1329 CZ ARG A 649 -2.406 -4.386 -9.191 1.00 4.23 C ATOM 1330 NH1 ARG A 649 -1.291 -3.915 -8.650 1.00 1.23 N ATOM 1331 NH2 ARG A 649 -2.468 -4.593 -10.501 1.00 22.34 N ATOM 0 H ARG A 649 -6.989 -2.877 -4.356 1.00 21.40 H new ATOM 0 HA ARG A 649 -6.359 -5.649 -4.724 1.00 11.12 H new ATOM 0 HB2 ARG A 649 -4.950 -3.007 -4.789 1.00 2.31 H new ATOM 0 HB3 ARG A 649 -3.957 -4.423 -4.509 1.00 2.31 H new ATOM 0 HG2 ARG A 649 -5.410 -5.318 -6.621 1.00 63.43 H new ATOM 0 HG3 ARG A 649 -5.447 -3.599 -6.958 1.00 63.43 H new ATOM 0 HD2 ARG A 649 -2.943 -3.537 -6.733 1.00 72.01 H new ATOM 0 HD3 ARG A 649 -2.945 -5.273 -6.496 1.00 72.01 H new ATOM 0 HE ARG A 649 -4.302 -5.014 -8.874 1.00 35.40 H new ATOM 0 HH11 ARG A 649 -1.240 -3.756 -7.644 1.00 1.23 H new ATOM 0 HH12 ARG A 649 -0.484 -3.712 -9.240 1.00 1.23 H new ATOM 0 HH21 ARG A 649 -3.324 -4.956 -10.920 1.00 22.34 H new ATOM 0 HH22 ARG A 649 -1.659 -4.389 -11.088 1.00 22.34 H new ATOM 1342 N VAL A 650 -5.447 -4.151 -1.919 1.00 43.12 N ATOM 1343 CA VAL A 650 -5.021 -4.396 -0.547 1.00 60.03 C ATOM 1344 C VAL A 650 -6.027 -5.270 0.193 1.00 72.24 C ATOM 1345 O VAL A 650 -5.657 -6.069 1.056 1.00 13.22 O ATOM 1346 CB VAL A 650 -4.835 -3.078 0.228 1.00 0.02 C ATOM 1347 CG1 VAL A 650 -6.159 -2.611 0.813 1.00 25.31 C ATOM 1348 CG2 VAL A 650 -3.789 -3.244 1.320 1.00 35.21 C ATOM 0 H VAL A 650 -5.608 -3.169 -2.142 1.00 43.12 H new ATOM 0 HA VAL A 650 -4.064 -4.915 -0.601 1.00 60.03 H new ATOM 0 HB VAL A 650 -4.483 -2.315 -0.467 1.00 0.02 H new ATOM 0 HG11 VAL A 650 -6.008 -1.679 1.357 1.00 25.31 H new ATOM 0 HG12 VAL A 650 -6.876 -2.449 0.008 1.00 25.31 H new ATOM 0 HG13 VAL A 650 -6.544 -3.370 1.494 1.00 25.31 H new ATOM 0 HG21 VAL A 650 -3.671 -2.303 1.857 1.00 35.21 H new ATOM 0 HG22 VAL A 650 -4.109 -4.021 2.015 1.00 35.21 H new ATOM 0 HG23 VAL A 650 -2.837 -3.528 0.872 1.00 35.21 H new ATOM 1358 N LEU A 651 -7.301 -5.115 -0.149 1.00 70.14 N ATOM 1359 CA LEU A 651 -8.363 -5.891 0.484 1.00 31.15 C ATOM 1360 C LEU A 651 -8.310 -7.349 0.040 1.00 34.30 C ATOM 1361 O LEU A 651 -8.516 -8.260 0.841 1.00 72.21 O ATOM 1362 CB LEU A 651 -9.729 -5.293 0.144 1.00 61.10 C ATOM 1363 CG LEU A 651 -10.207 -4.155 1.047 1.00 34.32 C ATOM 1364 CD1 LEU A 651 -11.549 -3.623 0.570 1.00 50.24 C ATOM 1365 CD2 LEU A 651 -10.298 -4.622 2.492 1.00 62.51 C ATOM 0 H LEU A 651 -7.624 -4.460 -0.861 1.00 70.14 H new ATOM 0 HA LEU A 651 -8.214 -5.853 1.563 1.00 31.15 H new ATOM 0 HB2 LEU A 651 -9.698 -4.927 -0.882 1.00 61.10 H new ATOM 0 HB3 LEU A 651 -10.471 -6.091 0.175 1.00 61.10 H new ATOM 0 HG LEU A 651 -9.479 -3.345 0.994 1.00 34.32 H new ATOM 0 HD11 LEU A 651 -11.873 -2.814 1.225 1.00 50.24 H new ATOM 0 HD12 LEU A 651 -11.450 -3.248 -0.449 1.00 50.24 H new ATOM 0 HD13 LEU A 651 -12.287 -4.425 0.592 1.00 50.24 H new ATOM 0 HD21 LEU A 651 -10.640 -3.799 3.120 1.00 62.51 H new ATOM 0 HD22 LEU A 651 -11.004 -5.450 2.563 1.00 62.51 H new ATOM 0 HD23 LEU A 651 -9.316 -4.953 2.830 1.00 62.51 H new ATOM 1376 N ALA A 652 -8.028 -7.563 -1.241 1.00 33.31 N ATOM 1377 CA ALA A 652 -7.942 -8.911 -1.791 1.00 51.13 C ATOM 1378 C ALA A 652 -6.730 -9.652 -1.239 1.00 32.42 C ATOM 1379 O ALA A 652 -6.815 -10.831 -0.894 1.00 53.43 O ATOM 1380 CB ALA A 652 -7.886 -8.859 -3.310 1.00 40.23 C ATOM 0 H ALA A 652 -7.855 -6.820 -1.918 1.00 33.31 H new ATOM 0 HA ALA A 652 -8.836 -9.457 -1.491 1.00 51.13 H new ATOM 0 HB1 ALA A 652 -7.822 -9.872 -3.707 1.00 40.23 H new ATOM 0 HB2 ALA A 652 -8.786 -8.376 -3.691 1.00 40.23 H new ATOM 0 HB3 ALA A 652 -7.010 -8.291 -3.623 1.00 40.23 H new ATOM 1386 N ALA A 653 -5.600 -8.955 -1.160 1.00 23.04 N ATOM 1387 CA ALA A 653 -4.371 -9.547 -0.649 1.00 32.22 C ATOM 1388 C ALA A 653 -4.451 -9.766 0.857 1.00 23.33 C ATOM 1389 O ALA A 653 -4.153 -10.854 1.354 1.00 1.43 O ATOM 1390 CB ALA A 653 -3.178 -8.668 -0.994 1.00 11.20 C ATOM 0 H ALA A 653 -5.512 -7.979 -1.444 1.00 23.04 H new ATOM 0 HA ALA A 653 -4.241 -10.519 -1.124 1.00 32.22 H new ATOM 0 HB1 ALA A 653 -2.267 -9.123 -0.606 1.00 11.20 H new ATOM 0 HB2 ALA A 653 -3.101 -8.568 -2.077 1.00 11.20 H new ATOM 0 HB3 ALA A 653 -3.311 -7.683 -0.547 1.00 11.20 H new ATOM 1396 N HIS A 654 -4.855 -8.728 1.582 1.00 14.45 N ATOM 1397 CA HIS A 654 -4.975 -8.807 3.033 1.00 33.13 C ATOM 1398 C HIS A 654 -5.885 -9.962 3.440 1.00 74.45 C ATOM 1399 O HIS A 654 -5.563 -10.727 4.350 1.00 54.40 O ATOM 1400 CB HIS A 654 -5.519 -7.493 3.593 1.00 75.13 C ATOM 1401 CG HIS A 654 -5.798 -7.539 5.064 1.00 1.35 C ATOM 1402 ND1 HIS A 654 -7.033 -7.249 5.605 1.00 3.41 N ATOM 1403 CD2 HIS A 654 -4.995 -7.846 6.109 1.00 34.05 C ATOM 1404 CE1 HIS A 654 -6.976 -7.374 6.919 1.00 3.15 C ATOM 1405 NE2 HIS A 654 -5.751 -7.736 7.250 1.00 51.12 N ATOM 0 H HIS A 654 -5.105 -7.821 1.188 1.00 14.45 H new ATOM 0 HA HIS A 654 -3.982 -8.986 3.446 1.00 33.13 H new ATOM 0 HB2 HIS A 654 -4.802 -6.697 3.392 1.00 75.13 H new ATOM 0 HB3 HIS A 654 -6.437 -7.235 3.065 1.00 75.13 H new ATOM 0 HD2 HIS A 654 -3.953 -8.126 6.056 1.00 34.05 H new ATOM 0 HE1 HIS A 654 -7.793 -7.208 7.605 1.00 3.15 H new ATOM 0 HE2 HIS A 654 -5.419 -7.906 8.199 1.00 51.12 H new ATOM 1412 N ALA A 655 -7.020 -10.083 2.761 1.00 0.50 N ATOM 1413 CA ALA A 655 -7.975 -11.146 3.052 1.00 2.22 C ATOM 1414 C ALA A 655 -7.441 -12.501 2.601 1.00 5.04 C ATOM 1415 O ALA A 655 -7.504 -13.482 3.343 1.00 11.10 O ATOM 1416 CB ALA A 655 -9.310 -10.853 2.384 1.00 43.34 C ATOM 0 H ALA A 655 -7.301 -9.458 2.005 1.00 0.50 H new ATOM 0 HA ALA A 655 -8.122 -11.184 4.131 1.00 2.22 H new ATOM 0 HB1 ALA A 655 -10.013 -11.655 2.610 1.00 43.34 H new ATOM 0 HB2 ALA A 655 -9.704 -9.908 2.758 1.00 43.34 H new ATOM 0 HB3 ALA A 655 -9.170 -10.786 1.305 1.00 43.34 H new ATOM 1422 N TYR A 656 -6.920 -12.550 1.380 1.00 74.11 N ATOM 1423 CA TYR A 656 -6.379 -13.786 0.830 1.00 33.42 C ATOM 1424 C TYR A 656 -5.291 -14.357 1.735 1.00 72.21 C ATOM 1425 O TYR A 656 -5.308 -15.540 2.075 1.00 42.32 O ATOM 1426 CB TYR A 656 -5.814 -13.541 -0.571 1.00 23.31 C ATOM 1427 CG TYR A 656 -5.077 -14.730 -1.143 1.00 22.42 C ATOM 1428 CD1 TYR A 656 -5.762 -15.758 -1.780 1.00 11.12 C ATOM 1429 CD2 TYR A 656 -3.694 -14.826 -1.049 1.00 34.40 C ATOM 1430 CE1 TYR A 656 -5.092 -16.847 -2.303 1.00 10.03 C ATOM 1431 CE2 TYR A 656 -3.015 -15.911 -1.571 1.00 43.42 C ATOM 1432 CZ TYR A 656 -3.719 -16.919 -2.197 1.00 53.25 C ATOM 1433 OH TYR A 656 -3.048 -18.001 -2.718 1.00 54.30 O ATOM 0 H TYR A 656 -6.861 -11.748 0.753 1.00 74.11 H new ATOM 0 HA TYR A 656 -7.191 -14.510 0.767 1.00 33.42 H new ATOM 0 HB2 TYR A 656 -6.631 -13.274 -1.241 1.00 23.31 H new ATOM 0 HB3 TYR A 656 -5.137 -12.687 -0.537 1.00 23.31 H new ATOM 0 HD1 TYR A 656 -6.837 -15.704 -1.868 1.00 11.12 H new ATOM 0 HD2 TYR A 656 -3.140 -14.039 -0.559 1.00 34.40 H new ATOM 0 HE1 TYR A 656 -5.641 -17.638 -2.792 1.00 10.03 H new ATOM 0 HE2 TYR A 656 -1.940 -15.969 -1.489 1.00 43.42 H new ATOM 0 HH TYR A 656 -2.086 -17.896 -2.560 1.00 54.30 H new ATOM 1442 N TRP A 657 -4.347 -13.507 2.122 1.00 3.32 N ATOM 1443 CA TRP A 657 -3.252 -13.924 2.989 1.00 31.31 C ATOM 1444 C TRP A 657 -3.752 -14.208 4.401 1.00 12.11 C ATOM 1445 O TRP A 657 -3.265 -15.119 5.071 1.00 50.42 O ATOM 1446 CB TRP A 657 -2.165 -12.849 3.027 1.00 35.43 C ATOM 1447 CG TRP A 657 -1.429 -12.703 1.729 1.00 55.24 C ATOM 1448 CD1 TRP A 657 -1.368 -11.588 0.943 1.00 75.32 C ATOM 1449 CD2 TRP A 657 -0.651 -13.707 1.067 1.00 52.40 C ATOM 1450 NE1 TRP A 657 -0.600 -11.838 -0.169 1.00 74.52 N ATOM 1451 CE2 TRP A 657 -0.147 -13.130 -0.115 1.00 10.43 C ATOM 1452 CE3 TRP A 657 -0.330 -15.035 1.359 1.00 0.14 C ATOM 1453 CZ2 TRP A 657 0.658 -13.838 -1.004 1.00 20.50 C ATOM 1454 CZ3 TRP A 657 0.469 -15.736 0.476 1.00 43.12 C ATOM 1455 CH2 TRP A 657 0.956 -15.137 -0.693 1.00 70.20 C ATOM 0 H TRP A 657 -4.318 -12.525 1.849 1.00 3.32 H new ATOM 0 HA TRP A 657 -2.830 -14.843 2.581 1.00 31.31 H new ATOM 0 HB2 TRP A 657 -2.618 -11.893 3.289 1.00 35.43 H new ATOM 0 HB3 TRP A 657 -1.452 -13.091 3.816 1.00 35.43 H new ATOM 0 HD1 TRP A 657 -1.852 -10.648 1.163 1.00 75.32 H new ATOM 0 HE1 TRP A 657 -0.400 -11.170 -0.914 1.00 74.52 H new ATOM 0 HE3 TRP A 657 -0.700 -15.505 2.258 1.00 0.14 H new ATOM 0 HZ2 TRP A 657 1.034 -13.378 -1.906 1.00 20.50 H new ATOM 0 HZ3 TRP A 657 0.722 -16.764 0.691 1.00 43.12 H new ATOM 0 HH2 TRP A 657 1.579 -15.712 -1.362 1.00 70.20 H new ATOM 1465 N SER A 658 -4.727 -13.423 4.848 1.00 13.43 N ATOM 1466 CA SER A 658 -5.291 -13.587 6.182 1.00 30.50 C ATOM 1467 C SER A 658 -5.764 -15.022 6.399 1.00 14.10 C ATOM 1468 O SER A 658 -5.633 -15.571 7.492 1.00 70.32 O ATOM 1469 CB SER A 658 -6.455 -12.618 6.390 1.00 44.50 C ATOM 1470 OG SER A 658 -7.212 -12.968 7.536 1.00 55.44 O ATOM 0 H SER A 658 -5.143 -12.666 4.305 1.00 13.43 H new ATOM 0 HA SER A 658 -4.510 -13.366 6.909 1.00 30.50 H new ATOM 0 HB2 SER A 658 -6.072 -11.603 6.499 1.00 44.50 H new ATOM 0 HB3 SER A 658 -7.098 -12.623 5.510 1.00 44.50 H new ATOM 0 HG SER A 658 -7.949 -12.332 7.648 1.00 55.44 H new ATOM 1475 N GLN A 659 -6.314 -15.621 5.348 1.00 4.13 N ATOM 1476 CA GLN A 659 -6.808 -16.992 5.422 1.00 55.34 C ATOM 1477 C GLN A 659 -5.701 -17.946 5.863 1.00 14.43 C ATOM 1478 O GLN A 659 -5.973 -19.014 6.408 1.00 32.52 O ATOM 1479 CB GLN A 659 -7.365 -17.429 4.067 1.00 65.41 C ATOM 1480 CG GLN A 659 -8.182 -18.711 4.131 1.00 11.03 C ATOM 1481 CD GLN A 659 -9.330 -18.720 3.141 1.00 10.13 C ATOM 1482 OE1 GLN A 659 -9.129 -18.914 1.942 1.00 11.21 O ATOM 1483 NE2 GLN A 659 -10.543 -18.510 3.639 1.00 24.02 N ATOM 0 H GLN A 659 -6.429 -15.180 4.436 1.00 4.13 H new ATOM 0 HA GLN A 659 -7.607 -17.025 6.163 1.00 55.34 H new ATOM 0 HB2 GLN A 659 -7.988 -16.630 3.665 1.00 65.41 H new ATOM 0 HB3 GLN A 659 -6.538 -17.569 3.371 1.00 65.41 H new ATOM 0 HG2 GLN A 659 -7.531 -19.563 3.935 1.00 11.03 H new ATOM 0 HG3 GLN A 659 -8.576 -18.837 5.140 1.00 11.03 H new ATOM 0 HE21 GLN A 659 -10.663 -18.354 4.640 1.00 24.02 H new ATOM 0 HE22 GLN A 659 -11.354 -18.505 3.021 1.00 24.02 H new