USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 581 SER OG : rot 180:sc= 0 USER MOD Single : A 594 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0084) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 624 LYS NZ :NH3+ 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= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 629 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 631 SER OG : rot -64:sc= 0.995 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) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 2.230 10.104 -3.403 1.00 13.34 N ATOM 322 CA SER A 581 0.925 10.440 -3.960 1.00 63.12 C ATOM 323 C SER A 581 0.125 9.177 -4.269 1.00 54.24 C ATOM 324 O SER A 581 0.600 8.061 -4.060 1.00 33.11 O ATOM 325 CB SER A 581 1.087 11.278 -5.228 1.00 12.55 C ATOM 326 OG SER A 581 1.194 12.657 -4.919 1.00 34.40 O ATOM 0 HA SER A 581 0.380 11.022 -3.217 1.00 63.12 H new ATOM 0 HB2 SER A 581 1.975 10.954 -5.771 1.00 12.55 H new ATOM 0 HB3 SER A 581 0.234 11.115 -5.887 1.00 12.55 H new ATOM 0 HG SER A 581 1.298 13.171 -5.747 1.00 34.40 H new ATOM 331 N VAL A 582 -1.093 9.364 -4.769 1.00 13.11 N ATOM 332 CA VAL A 582 -1.959 8.241 -5.110 1.00 60.02 C ATOM 333 C VAL A 582 -1.247 7.256 -6.028 1.00 14.22 C ATOM 334 O VAL A 582 -1.372 6.042 -5.871 1.00 31.43 O ATOM 335 CB VAL A 582 -3.254 8.719 -5.793 1.00 61.41 C ATOM 336 CG1 VAL A 582 -4.149 9.439 -4.796 1.00 61.33 C ATOM 337 CG2 VAL A 582 -2.931 9.618 -6.977 1.00 30.05 C ATOM 0 H VAL A 582 -1.502 10.281 -4.947 1.00 13.11 H new ATOM 0 HA VAL A 582 -2.213 7.742 -4.175 1.00 60.02 H new ATOM 0 HB VAL A 582 -3.792 7.847 -6.164 1.00 61.41 H new ATOM 0 HG11 VAL A 582 -5.059 9.769 -5.297 1.00 61.33 H new ATOM 0 HG12 VAL A 582 -4.408 8.760 -3.983 1.00 61.33 H new ATOM 0 HG13 VAL A 582 -3.622 10.304 -4.393 1.00 61.33 H new ATOM 0 HG21 VAL A 582 -3.858 9.947 -7.448 1.00 30.05 H new ATOM 0 HG22 VAL A 582 -2.371 10.487 -6.632 1.00 30.05 H new ATOM 0 HG23 VAL A 582 -2.332 9.065 -7.701 1.00 30.05 H new ATOM 347 N ALA A 583 -0.497 7.787 -6.989 1.00 4.51 N ATOM 348 CA ALA A 583 0.238 6.955 -7.933 1.00 33.10 C ATOM 349 C ALA A 583 1.397 6.240 -7.247 1.00 13.41 C ATOM 350 O ALA A 583 1.740 5.112 -7.602 1.00 60.25 O ATOM 351 CB ALA A 583 0.747 7.796 -9.095 1.00 23.12 C ATOM 0 H ALA A 583 -0.383 8.790 -7.134 1.00 4.51 H new ATOM 0 HA ALA A 583 -0.444 6.198 -8.320 1.00 33.10 H new ATOM 0 HB1 ALA A 583 1.294 7.161 -9.792 1.00 23.12 H new ATOM 0 HB2 ALA A 583 -0.097 8.255 -9.609 1.00 23.12 H new ATOM 0 HB3 ALA A 583 1.409 8.575 -8.718 1.00 23.12 H new ATOM 357 N GLU A 584 1.998 6.905 -6.265 1.00 13.44 N ATOM 358 CA GLU A 584 3.121 6.333 -5.532 1.00 33.55 C ATOM 359 C GLU A 584 2.645 5.251 -4.565 1.00 53.13 C ATOM 360 O GLU A 584 3.307 4.229 -4.384 1.00 13.54 O ATOM 361 CB GLU A 584 3.868 7.425 -4.764 1.00 12.33 C ATOM 362 CG GLU A 584 4.565 8.432 -5.663 1.00 1.33 C ATOM 363 CD GLU A 584 6.075 8.287 -5.641 1.00 23.05 C ATOM 364 OE1 GLU A 584 6.599 7.422 -6.373 1.00 23.21 O ATOM 365 OE2 GLU A 584 6.732 9.040 -4.891 1.00 2.04 O ATOM 0 H GLU A 584 1.726 7.839 -5.959 1.00 13.44 H new ATOM 0 HA GLU A 584 3.799 5.879 -6.254 1.00 33.55 H new ATOM 0 HB2 GLU A 584 3.163 7.952 -4.120 1.00 12.33 H new ATOM 0 HB3 GLU A 584 4.607 6.959 -4.113 1.00 12.33 H new ATOM 0 HG2 GLU A 584 4.207 8.310 -6.685 1.00 1.33 H new ATOM 0 HG3 GLU A 584 4.296 9.441 -5.349 1.00 1.33 H new ATOM 370 N VAL A 585 1.492 5.486 -3.945 1.00 35.03 N ATOM 371 CA VAL A 585 0.927 4.534 -2.998 1.00 30.24 C ATOM 372 C VAL A 585 0.806 3.146 -3.618 1.00 4.40 C ATOM 373 O VAL A 585 0.948 2.134 -2.933 1.00 50.40 O ATOM 374 CB VAL A 585 -0.461 4.987 -2.507 1.00 74.20 C ATOM 375 CG1 VAL A 585 -1.043 3.970 -1.538 1.00 62.42 C ATOM 376 CG2 VAL A 585 -0.375 6.362 -1.862 1.00 75.32 C ATOM 0 H VAL A 585 0.932 6.327 -4.082 1.00 35.03 H new ATOM 0 HA VAL A 585 1.609 4.491 -2.149 1.00 30.24 H new ATOM 0 HB VAL A 585 -1.127 5.055 -3.367 1.00 74.20 H new ATOM 0 HG11 VAL A 585 -2.024 4.307 -1.202 1.00 62.42 H new ATOM 0 HG12 VAL A 585 -1.142 3.007 -2.038 1.00 62.42 H new ATOM 0 HG13 VAL A 585 -0.381 3.866 -0.678 1.00 62.42 H new ATOM 0 HG21 VAL A 585 -1.364 6.666 -1.521 1.00 75.32 H new ATOM 0 HG22 VAL A 585 0.306 6.323 -1.012 1.00 75.32 H new ATOM 0 HG23 VAL A 585 -0.005 7.083 -2.591 1.00 75.32 H new ATOM 386 N GLU A 586 0.544 3.108 -4.921 1.00 31.11 N ATOM 387 CA GLU A 586 0.404 1.843 -5.635 1.00 43.24 C ATOM 388 C GLU A 586 1.594 0.929 -5.360 1.00 20.33 C ATOM 389 O GLU A 586 1.461 -0.295 -5.349 1.00 43.34 O ATOM 390 CB GLU A 586 0.275 2.093 -7.138 1.00 4.54 C ATOM 391 CG GLU A 586 1.609 2.249 -7.847 1.00 74.21 C ATOM 392 CD GLU A 586 1.467 2.843 -9.235 1.00 51.32 C ATOM 393 OE1 GLU A 586 0.325 2.925 -9.732 1.00 10.02 O ATOM 394 OE2 GLU A 586 2.500 3.228 -9.822 1.00 40.52 O ATOM 0 H GLU A 586 0.425 3.937 -5.503 1.00 31.11 H new ATOM 0 HA GLU A 586 -0.500 1.351 -5.277 1.00 43.24 H new ATOM 0 HB2 GLU A 586 -0.272 1.265 -7.590 1.00 4.54 H new ATOM 0 HB3 GLU A 586 -0.319 2.993 -7.298 1.00 4.54 H new ATOM 0 HG2 GLU A 586 2.262 2.885 -7.249 1.00 74.21 H new ATOM 0 HG3 GLU A 586 2.093 1.275 -7.921 1.00 74.21 H new ATOM 399 N ALA A 587 2.757 1.532 -5.140 1.00 34.11 N ATOM 400 CA ALA A 587 3.971 0.774 -4.864 1.00 74.00 C ATOM 401 C ALA A 587 3.822 -0.058 -3.595 1.00 71.15 C ATOM 402 O ALA A 587 4.219 -1.224 -3.554 1.00 73.15 O ATOM 403 CB ALA A 587 5.164 1.710 -4.746 1.00 15.52 C ATOM 0 H ALA A 587 2.884 2.544 -5.148 1.00 34.11 H new ATOM 0 HA ALA A 587 4.140 0.092 -5.697 1.00 74.00 H new ATOM 0 HB1 ALA A 587 6.063 1.129 -4.540 1.00 15.52 H new ATOM 0 HB2 ALA A 587 5.291 2.257 -5.680 1.00 15.52 H new ATOM 0 HB3 ALA A 587 4.994 2.416 -3.933 1.00 15.52 H new ATOM 409 N LEU A 588 3.248 0.547 -2.560 1.00 13.35 N ATOM 410 CA LEU A 588 3.047 -0.139 -1.289 1.00 51.12 C ATOM 411 C LEU A 588 2.060 -1.292 -1.441 1.00 15.11 C ATOM 412 O LEU A 588 2.286 -2.387 -0.927 1.00 64.55 O ATOM 413 CB LEU A 588 2.541 0.845 -0.232 1.00 70.33 C ATOM 414 CG LEU A 588 2.931 0.536 1.214 1.00 54.12 C ATOM 415 CD1 LEU A 588 2.676 -0.928 1.535 1.00 22.13 C ATOM 416 CD2 LEU A 588 4.390 0.891 1.459 1.00 42.33 C ATOM 0 H LEU A 588 2.914 1.511 -2.577 1.00 13.35 H new ATOM 0 HA LEU A 588 4.006 -0.547 -0.969 1.00 51.12 H new ATOM 0 HB2 LEU A 588 2.912 1.839 -0.483 1.00 70.33 H new ATOM 0 HB3 LEU A 588 1.453 0.886 -0.293 1.00 70.33 H new ATOM 0 HG LEU A 588 2.313 1.144 1.875 1.00 54.12 H new ATOM 0 HD11 LEU A 588 2.960 -1.129 2.568 1.00 22.13 H new ATOM 0 HD12 LEU A 588 1.618 -1.151 1.399 1.00 22.13 H new ATOM 0 HD13 LEU A 588 3.268 -1.555 0.868 1.00 22.13 H new ATOM 0 HD21 LEU A 588 4.651 0.665 2.493 1.00 42.33 H new ATOM 0 HD22 LEU A 588 5.023 0.309 0.789 1.00 42.33 H new ATOM 0 HD23 LEU A 588 4.542 1.954 1.271 1.00 42.33 H new ATOM 427 N VAL A 589 0.968 -1.038 -2.154 1.00 5.12 N ATOM 428 CA VAL A 589 -0.052 -2.056 -2.378 1.00 44.01 C ATOM 429 C VAL A 589 0.483 -3.189 -3.247 1.00 2.12 C ATOM 430 O VAL A 589 0.449 -4.354 -2.853 1.00 14.30 O ATOM 431 CB VAL A 589 -1.304 -1.458 -3.046 1.00 1.14 C ATOM 432 CG1 VAL A 589 -2.367 -2.529 -3.244 1.00 42.13 C ATOM 433 CG2 VAL A 589 -1.848 -0.302 -2.221 1.00 44.41 C ATOM 0 H VAL A 589 0.767 -0.136 -2.586 1.00 5.12 H new ATOM 0 HA VAL A 589 -0.325 -2.451 -1.400 1.00 44.01 H new ATOM 0 HB VAL A 589 -1.022 -1.073 -4.026 1.00 1.14 H new ATOM 0 HG11 VAL A 589 -3.244 -2.088 -3.717 1.00 42.13 H new ATOM 0 HG12 VAL A 589 -1.971 -3.321 -3.880 1.00 42.13 H new ATOM 0 HG13 VAL A 589 -2.648 -2.946 -2.277 1.00 42.13 H new ATOM 0 HG21 VAL A 589 -2.733 0.108 -2.708 1.00 44.41 H new ATOM 0 HG22 VAL A 589 -2.114 -0.659 -1.226 1.00 44.41 H new ATOM 0 HG23 VAL A 589 -1.087 0.474 -2.137 1.00 44.41 H new ATOM 443 N GLU A 590 0.977 -2.837 -4.430 1.00 64.42 N ATOM 444 CA GLU A 590 1.519 -3.825 -5.355 1.00 4.30 C ATOM 445 C GLU A 590 2.607 -4.659 -4.685 1.00 74.44 C ATOM 446 O GLU A 590 2.771 -5.841 -4.983 1.00 32.20 O ATOM 447 CB GLU A 590 2.083 -3.136 -6.599 1.00 30.13 C ATOM 448 CG GLU A 590 3.406 -2.430 -6.356 1.00 0.32 C ATOM 449 CD GLU A 590 3.937 -1.743 -7.600 1.00 72.22 C ATOM 450 OE1 GLU A 590 3.132 -1.116 -8.321 1.00 61.41 O ATOM 451 OE2 GLU A 590 5.157 -1.831 -7.852 1.00 24.44 O ATOM 0 H GLU A 590 1.013 -1.876 -4.770 1.00 64.42 H new ATOM 0 HA GLU A 590 0.708 -4.489 -5.653 1.00 4.30 H new ATOM 0 HB2 GLU A 590 2.216 -3.878 -7.386 1.00 30.13 H new ATOM 0 HB3 GLU A 590 1.355 -2.411 -6.964 1.00 30.13 H new ATOM 0 HG2 GLU A 590 3.280 -1.692 -5.564 1.00 0.32 H new ATOM 0 HG3 GLU A 590 4.141 -3.154 -6.003 1.00 0.32 H new ATOM 456 N ALA A 591 3.348 -4.033 -3.776 1.00 51.12 N ATOM 457 CA ALA A 591 4.420 -4.715 -3.062 1.00 31.21 C ATOM 458 C ALA A 591 3.859 -5.746 -2.087 1.00 74.42 C ATOM 459 O ALA A 591 4.330 -6.883 -2.031 1.00 50.14 O ATOM 460 CB ALA A 591 5.289 -3.707 -2.325 1.00 74.15 C ATOM 0 H ALA A 591 3.225 -3.054 -3.517 1.00 51.12 H new ATOM 0 HA ALA A 591 5.034 -5.240 -3.793 1.00 31.21 H new ATOM 0 HB1 ALA A 591 6.085 -4.231 -1.796 1.00 74.15 H new ATOM 0 HB2 ALA A 591 5.726 -3.011 -3.041 1.00 74.15 H new ATOM 0 HB3 ALA A 591 4.679 -3.156 -1.609 1.00 74.15 H new ATOM 466 N VAL A 592 2.853 -5.342 -1.320 1.00 43.22 N ATOM 467 CA VAL A 592 2.228 -6.230 -0.347 1.00 12.15 C ATOM 468 C VAL A 592 1.335 -7.258 -1.034 1.00 13.45 C ATOM 469 O VAL A 592 1.102 -8.344 -0.506 1.00 31.10 O ATOM 470 CB VAL A 592 1.389 -5.442 0.677 1.00 12.13 C ATOM 471 CG1 VAL A 592 0.208 -4.771 -0.006 1.00 65.23 C ATOM 472 CG2 VAL A 592 0.920 -6.357 1.797 1.00 23.20 C ATOM 0 H VAL A 592 2.452 -4.405 -1.353 1.00 43.22 H new ATOM 0 HA VAL A 592 3.035 -6.744 0.175 1.00 12.15 H new ATOM 0 HB VAL A 592 2.015 -4.664 1.114 1.00 12.13 H new ATOM 0 HG11 VAL A 592 -0.374 -4.219 0.732 1.00 65.23 H new ATOM 0 HG12 VAL A 592 0.572 -4.083 -0.769 1.00 65.23 H new ATOM 0 HG13 VAL A 592 -0.422 -5.529 -0.471 1.00 65.23 H new ATOM 0 HG21 VAL A 592 0.329 -5.784 2.511 1.00 23.20 H new ATOM 0 HG22 VAL A 592 0.309 -7.158 1.381 1.00 23.20 H new ATOM 0 HG23 VAL A 592 1.785 -6.786 2.303 1.00 23.20 H new ATOM 482 N GLU A 593 0.841 -6.906 -2.217 1.00 24.32 N ATOM 483 CA GLU A 593 -0.027 -7.798 -2.977 1.00 35.13 C ATOM 484 C GLU A 593 0.771 -8.956 -3.572 1.00 45.12 C ATOM 485 O GLU A 593 0.319 -10.102 -3.570 1.00 42.05 O ATOM 486 CB GLU A 593 -0.738 -7.028 -4.093 1.00 74.35 C ATOM 487 CG GLU A 593 -2.182 -6.686 -3.770 1.00 43.34 C ATOM 488 CD GLU A 593 -3.056 -6.622 -5.008 1.00 41.32 C ATOM 489 OE1 GLU A 593 -2.723 -5.846 -5.929 1.00 25.43 O ATOM 490 OE2 GLU A 593 -4.072 -7.346 -5.055 1.00 34.32 O ATOM 0 H GLU A 593 1.027 -6.011 -2.669 1.00 24.32 H new ATOM 0 HA GLU A 593 -0.773 -8.205 -2.295 1.00 35.13 H new ATOM 0 HB2 GLU A 593 -0.191 -6.107 -4.293 1.00 74.35 H new ATOM 0 HB3 GLU A 593 -0.709 -7.621 -5.007 1.00 74.35 H new ATOM 0 HG2 GLU A 593 -2.584 -7.432 -3.084 1.00 43.34 H new ATOM 0 HG3 GLU A 593 -2.218 -5.726 -3.254 1.00 43.34 H new ATOM 495 N HIS A 594 1.959 -8.649 -4.082 1.00 44.33 N ATOM 496 CA HIS A 594 2.821 -9.662 -4.680 1.00 4.13 C ATOM 497 C HIS A 594 3.647 -10.372 -3.612 1.00 52.33 C ATOM 498 O HIS A 594 3.745 -11.599 -3.601 1.00 3.35 O ATOM 499 CB HIS A 594 3.744 -9.027 -5.719 1.00 51.33 C ATOM 500 CG HIS A 594 4.030 -9.917 -6.891 1.00 63.34 C ATOM 501 ND1 HIS A 594 4.521 -9.447 -8.090 1.00 52.13 N ATOM 502 CD2 HIS A 594 3.892 -11.255 -7.040 1.00 71.43 C ATOM 503 CE1 HIS A 594 4.672 -10.458 -8.927 1.00 64.01 C ATOM 504 NE2 HIS A 594 4.298 -11.566 -8.314 1.00 4.11 N ATOM 0 H HIS A 594 2.347 -7.706 -4.093 1.00 44.33 H new ATOM 0 HA HIS A 594 2.187 -10.399 -5.172 1.00 4.13 H new ATOM 0 HB2 HIS A 594 3.292 -8.102 -6.077 1.00 51.33 H new ATOM 0 HB3 HIS A 594 4.685 -8.757 -5.240 1.00 51.33 H new ATOM 0 HD2 HIS A 594 3.530 -11.949 -6.296 1.00 71.43 H new ATOM 0 HE1 HIS A 594 5.039 -10.390 -9.940 1.00 64.01 H new ATOM 0 HE2 HIS A 594 4.309 -12.501 -8.721 1.00 4.11 H new ATOM 511 N LEU A 595 4.241 -9.592 -2.716 1.00 54.34 N ATOM 512 CA LEU A 595 5.061 -10.145 -1.644 1.00 13.30 C ATOM 513 C LEU A 595 4.190 -10.673 -0.509 1.00 43.31 C ATOM 514 O LEU A 595 4.647 -11.446 0.331 1.00 34.24 O ATOM 515 CB LEU A 595 6.024 -9.082 -1.110 1.00 14.12 C ATOM 516 CG LEU A 595 6.936 -8.423 -2.146 1.00 43.25 C ATOM 517 CD1 LEU A 595 7.379 -7.048 -1.669 1.00 64.02 C ATOM 518 CD2 LEU A 595 8.143 -9.304 -2.432 1.00 50.32 C ATOM 0 H LEU A 595 4.170 -8.574 -2.710 1.00 54.34 H new ATOM 0 HA LEU A 595 5.637 -10.975 -2.053 1.00 13.30 H new ATOM 0 HB2 LEU A 595 5.439 -8.303 -0.622 1.00 14.12 H new ATOM 0 HB3 LEU A 595 6.649 -9.539 -0.343 1.00 14.12 H new ATOM 0 HG LEU A 595 6.373 -8.301 -3.071 1.00 43.25 H new ATOM 0 HD11 LEU A 595 8.027 -6.594 -2.419 1.00 64.02 H new ATOM 0 HD12 LEU A 595 6.504 -6.417 -1.516 1.00 64.02 H new ATOM 0 HD13 LEU A 595 7.924 -7.147 -0.730 1.00 64.02 H new ATOM 0 HD21 LEU A 595 8.780 -8.819 -3.171 1.00 50.32 H new ATOM 0 HD22 LEU A 595 8.707 -9.458 -1.512 1.00 50.32 H new ATOM 0 HD23 LEU A 595 7.808 -10.267 -2.818 1.00 50.32 H new ATOM 529 N GLY A 596 2.929 -10.252 -0.493 1.00 62.05 N ATOM 530 CA GLY A 596 2.012 -10.693 0.542 1.00 15.33 C ATOM 531 C GLY A 596 2.042 -9.798 1.764 1.00 32.40 C ATOM 532 O GLY A 596 2.860 -8.882 1.853 1.00 71.04 O ATOM 0 H GLY A 596 2.526 -9.613 -1.179 1.00 62.05 H new ATOM 0 HA2 GLY A 596 1.000 -10.718 0.139 1.00 15.33 H new ATOM 0 HA3 GLY A 596 2.264 -11.712 0.836 1.00 15.33 H new ATOM 536 N THR A 597 1.145 -10.060 2.711 1.00 34.05 N ATOM 537 CA THR A 597 1.070 -9.270 3.932 1.00 61.42 C ATOM 538 C THR A 597 1.946 -9.866 5.028 1.00 63.33 C ATOM 539 O THR A 597 1.653 -9.727 6.215 1.00 23.34 O ATOM 540 CB THR A 597 -0.378 -9.168 4.447 1.00 71.42 C ATOM 541 OG1 THR A 597 -1.039 -10.431 4.305 1.00 51.23 O ATOM 542 CG2 THR A 597 -1.149 -8.099 3.687 1.00 50.14 C ATOM 0 H THR A 597 0.461 -10.814 2.654 1.00 34.05 H new ATOM 0 HA THR A 597 1.431 -8.272 3.685 1.00 61.42 H new ATOM 0 HB THR A 597 -0.346 -8.891 5.501 1.00 71.42 H new ATOM 0 HG1 THR A 597 -1.958 -10.358 4.636 1.00 51.23 H new ATOM 0 HG21 THR A 597 -2.169 -8.046 4.068 1.00 50.14 H new ATOM 0 HG22 THR A 597 -0.660 -7.134 3.821 1.00 50.14 H new ATOM 0 HG23 THR A 597 -1.171 -8.351 2.627 1.00 50.14 H new ATOM 550 N GLY A 598 3.024 -10.530 4.622 1.00 54.41 N ATOM 551 CA GLY A 598 3.927 -11.137 5.583 1.00 53.41 C ATOM 552 C GLY A 598 5.382 -10.846 5.275 1.00 34.05 C ATOM 553 O GLY A 598 6.279 -11.333 5.963 1.00 53.12 O ATOM 0 H GLY A 598 3.288 -10.658 3.645 1.00 54.41 H new ATOM 0 HA2 GLY A 598 3.690 -10.770 6.582 1.00 53.41 H new ATOM 0 HA3 GLY A 598 3.770 -12.216 5.594 1.00 53.41 H new ATOM 557 N ARG A 599 5.618 -10.052 4.235 1.00 41.05 N ATOM 558 CA ARG A 599 6.975 -9.699 3.836 1.00 12.23 C ATOM 559 C ARG A 599 7.169 -8.186 3.844 1.00 42.14 C ATOM 560 O ARG A 599 7.219 -7.551 2.790 1.00 25.13 O ATOM 561 CB ARG A 599 7.280 -10.256 2.444 1.00 72.35 C ATOM 562 CG ARG A 599 7.728 -11.709 2.454 1.00 12.42 C ATOM 563 CD ARG A 599 8.043 -12.204 1.051 1.00 24.11 C ATOM 564 NE ARG A 599 8.409 -13.617 1.039 1.00 32.31 N ATOM 565 CZ ARG A 599 7.543 -14.603 1.253 1.00 11.31 C ATOM 566 NH1 ARG A 599 6.268 -14.329 1.494 1.00 53.41 N ATOM 567 NH2 ARG A 599 7.952 -15.864 1.225 1.00 31.11 N ATOM 0 H ARG A 599 4.887 -9.641 3.654 1.00 41.05 H new ATOM 0 HA ARG A 599 7.665 -10.139 4.556 1.00 12.23 H new ATOM 0 HB2 ARG A 599 6.390 -10.163 1.822 1.00 72.35 H new ATOM 0 HB3 ARG A 599 8.057 -9.648 1.981 1.00 72.35 H new ATOM 0 HG2 ARG A 599 8.610 -11.815 3.085 1.00 12.42 H new ATOM 0 HG3 ARG A 599 6.946 -12.329 2.893 1.00 12.42 H new ATOM 0 HD2 ARG A 599 7.176 -12.049 0.409 1.00 24.11 H new ATOM 0 HD3 ARG A 599 8.859 -11.615 0.633 1.00 24.11 H new ATOM 0 HE ARG A 599 9.382 -13.861 0.856 1.00 32.31 H new ATOM 0 HH11 ARG A 599 5.950 -13.360 1.515 1.00 53.41 H new ATOM 0 HH12 ARG A 599 5.606 -15.087 1.658 1.00 53.41 H new ATOM 0 HH21 ARG A 599 8.932 -16.078 1.039 1.00 31.11 H new ATOM 0 HH22 ARG A 599 7.287 -16.620 1.389 1.00 31.11 H new ATOM 578 N TRP A 600 7.277 -7.615 5.038 1.00 62.12 N ATOM 579 CA TRP A 600 7.464 -6.176 5.183 1.00 52.32 C ATOM 580 C TRP A 600 8.774 -5.730 4.542 1.00 43.22 C ATOM 581 O TRP A 600 8.799 -4.783 3.754 1.00 72.40 O ATOM 582 CB TRP A 600 7.445 -5.784 6.661 1.00 75.21 C ATOM 583 CG TRP A 600 6.230 -6.271 7.390 1.00 2.34 C ATOM 584 CD1 TRP A 600 5.000 -6.525 6.853 1.00 40.22 C ATOM 585 CD2 TRP A 600 6.127 -6.559 8.788 1.00 45.23 C ATOM 586 NE1 TRP A 600 4.139 -6.954 7.833 1.00 44.21 N ATOM 587 CE2 TRP A 600 4.806 -6.984 9.029 1.00 24.11 C ATOM 588 CE3 TRP A 600 7.022 -6.501 9.859 1.00 44.14 C ATOM 589 CZ2 TRP A 600 4.361 -7.348 10.298 1.00 50.01 C ATOM 590 CZ3 TRP A 600 6.579 -6.862 11.118 1.00 43.40 C ATOM 591 CH2 TRP A 600 5.258 -7.282 11.329 1.00 52.44 C ATOM 0 H TRP A 600 7.238 -8.126 5.920 1.00 62.12 H new ATOM 0 HA TRP A 600 6.642 -5.675 4.672 1.00 52.32 H new ATOM 0 HB2 TRP A 600 8.335 -6.183 7.147 1.00 75.21 H new ATOM 0 HB3 TRP A 600 7.497 -4.698 6.742 1.00 75.21 H new ATOM 0 HD1 TRP A 600 4.742 -6.406 5.811 1.00 40.22 H new ATOM 0 HE1 TRP A 600 3.161 -7.209 7.693 1.00 44.21 H new ATOM 0 HE3 TRP A 600 8.042 -6.180 9.706 1.00 44.14 H new ATOM 0 HZ2 TRP A 600 3.344 -7.671 10.462 1.00 50.01 H new ATOM 0 HZ3 TRP A 600 7.262 -6.820 11.953 1.00 43.40 H new ATOM 0 HH2 TRP A 600 4.943 -7.559 12.324 1.00 52.44 H new ATOM 601 N ARG A 601 9.859 -6.417 4.884 1.00 0.21 N ATOM 602 CA ARG A 601 11.173 -6.090 4.342 1.00 24.42 C ATOM 603 C ARG A 601 11.133 -6.038 2.818 1.00 13.01 C ATOM 604 O ARG A 601 11.619 -5.086 2.207 1.00 5.43 O ATOM 605 CB ARG A 601 12.207 -7.120 4.801 1.00 50.34 C ATOM 606 CG ARG A 601 12.215 -7.345 6.305 1.00 32.10 C ATOM 607 CD ARG A 601 13.424 -8.160 6.739 1.00 10.11 C ATOM 608 NE ARG A 601 13.214 -8.801 8.034 1.00 54.21 N ATOM 609 CZ ARG A 601 12.454 -9.875 8.208 1.00 24.40 C ATOM 610 NH1 ARG A 601 11.832 -10.426 7.174 1.00 11.01 N ATOM 611 NH2 ARG A 601 12.313 -10.401 9.418 1.00 4.22 N ATOM 0 H ARG A 601 9.854 -7.203 5.534 1.00 0.21 H new ATOM 0 HA ARG A 601 11.459 -5.107 4.715 1.00 24.42 H new ATOM 0 HB2 ARG A 601 12.010 -8.068 4.301 1.00 50.34 H new ATOM 0 HB3 ARG A 601 13.198 -6.793 4.485 1.00 50.34 H new ATOM 0 HG2 ARG A 601 12.220 -6.383 6.818 1.00 32.10 H new ATOM 0 HG3 ARG A 601 11.302 -7.860 6.602 1.00 32.10 H new ATOM 0 HD2 ARG A 601 13.637 -8.921 5.988 1.00 10.11 H new ATOM 0 HD3 ARG A 601 14.298 -7.511 6.793 1.00 10.11 H new ATOM 0 HE ARG A 601 13.677 -8.401 8.850 1.00 54.21 H new ATOM 0 HH11 ARG A 601 11.937 -10.024 6.242 1.00 11.01 H new ATOM 0 HH12 ARG A 601 11.249 -11.251 7.311 1.00 11.01 H new ATOM 0 HH21 ARG A 601 12.789 -9.980 10.216 1.00 4.22 H new ATOM 0 HH22 ARG A 601 11.729 -11.226 9.550 1.00 4.22 H new ATOM 622 N ASP A 602 10.555 -7.067 2.210 1.00 24.02 N ATOM 623 CA ASP A 602 10.452 -7.138 0.757 1.00 2.04 C ATOM 624 C ASP A 602 9.596 -5.997 0.216 1.00 2.23 C ATOM 625 O ASP A 602 9.866 -5.460 -0.858 1.00 53.44 O ATOM 626 CB ASP A 602 9.859 -8.483 0.331 1.00 34.51 C ATOM 627 CG ASP A 602 10.525 -9.655 1.026 1.00 15.24 C ATOM 628 OD1 ASP A 602 10.338 -9.802 2.252 1.00 22.41 O ATOM 629 OD2 ASP A 602 11.233 -10.425 0.343 1.00 63.11 O ATOM 0 H ASP A 602 10.150 -7.864 2.701 1.00 24.02 H new ATOM 0 HA ASP A 602 11.455 -7.044 0.342 1.00 2.04 H new ATOM 0 HB2 ASP A 602 8.792 -8.492 0.551 1.00 34.51 H new ATOM 0 HB3 ASP A 602 9.963 -8.597 -0.748 1.00 34.51 H new ATOM 633 N VAL A 603 8.561 -5.633 0.967 1.00 32.15 N ATOM 634 CA VAL A 603 7.665 -4.556 0.563 1.00 32.32 C ATOM 635 C VAL A 603 8.400 -3.222 0.509 1.00 50.30 C ATOM 636 O VAL A 603 8.079 -2.355 -0.306 1.00 74.43 O ATOM 637 CB VAL A 603 6.468 -4.432 1.523 1.00 2.13 C ATOM 638 CG1 VAL A 603 5.702 -3.145 1.259 1.00 4.31 C ATOM 639 CG2 VAL A 603 5.554 -5.642 1.394 1.00 54.15 C ATOM 0 H VAL A 603 8.323 -6.068 1.858 1.00 32.15 H new ATOM 0 HA VAL A 603 7.298 -4.806 -0.432 1.00 32.32 H new ATOM 0 HB VAL A 603 6.846 -4.398 2.545 1.00 2.13 H new ATOM 0 HG11 VAL A 603 4.860 -3.075 1.947 1.00 4.31 H new ATOM 0 HG12 VAL A 603 6.363 -2.291 1.407 1.00 4.31 H new ATOM 0 HG13 VAL A 603 5.333 -3.145 0.233 1.00 4.31 H new ATOM 0 HG21 VAL A 603 4.713 -5.538 2.080 1.00 54.15 H new ATOM 0 HG22 VAL A 603 5.182 -5.710 0.372 1.00 54.15 H new ATOM 0 HG23 VAL A 603 6.111 -6.546 1.638 1.00 54.15 H new ATOM 649 N LYS A 604 9.388 -3.060 1.383 1.00 32.05 N ATOM 650 CA LYS A 604 10.171 -1.832 1.435 1.00 13.21 C ATOM 651 C LYS A 604 11.049 -1.692 0.195 1.00 13.25 C ATOM 652 O LYS A 604 11.080 -0.639 -0.439 1.00 4.24 O ATOM 653 CB LYS A 604 11.042 -1.811 2.693 1.00 72.30 C ATOM 654 CG LYS A 604 11.401 -0.411 3.162 1.00 12.22 C ATOM 655 CD LYS A 604 12.045 -0.431 4.537 1.00 3.01 C ATOM 656 CE LYS A 604 13.488 -0.908 4.470 1.00 23.24 C ATOM 657 NZ LYS A 604 13.907 -1.586 5.728 1.00 61.33 N ATOM 0 H LYS A 604 9.665 -3.765 2.066 1.00 32.05 H new ATOM 0 HA LYS A 604 9.478 -0.991 1.465 1.00 13.21 H new ATOM 0 HB2 LYS A 604 10.519 -2.331 3.496 1.00 72.30 H new ATOM 0 HB3 LYS A 604 11.960 -2.366 2.499 1.00 72.30 H new ATOM 0 HG2 LYS A 604 12.083 0.049 2.447 1.00 12.22 H new ATOM 0 HG3 LYS A 604 10.503 0.206 3.189 1.00 12.22 H new ATOM 0 HD2 LYS A 604 12.011 0.569 4.970 1.00 3.01 H new ATOM 0 HD3 LYS A 604 11.475 -1.084 5.197 1.00 3.01 H new ATOM 0 HE2 LYS A 604 13.605 -1.594 3.631 1.00 23.24 H new ATOM 0 HE3 LYS A 604 14.143 -0.058 4.280 1.00 23.24 H new ATOM 0 HZ1 LYS A 604 14.896 -1.896 5.642 1.00 61.33 H new ATOM 0 HZ2 LYS A 604 13.820 -0.924 6.525 1.00 61.33 H new ATOM 0 HZ3 LYS A 604 13.298 -2.412 5.896 1.00 61.33 H new ATOM 667 N MET A 605 11.759 -2.763 -0.145 1.00 55.04 N ATOM 668 CA MET A 605 12.635 -2.760 -1.311 1.00 33.11 C ATOM 669 C MET A 605 11.823 -2.805 -2.602 1.00 61.42 C ATOM 670 O MET A 605 12.238 -2.265 -3.627 1.00 74.23 O ATOM 671 CB MET A 605 13.595 -3.950 -1.258 1.00 74.51 C ATOM 672 CG MET A 605 14.263 -4.132 0.096 1.00 54.35 C ATOM 673 SD MET A 605 15.335 -5.581 0.153 1.00 2.32 S ATOM 674 CE MET A 605 16.884 -4.880 -0.411 1.00 24.12 C ATOM 0 H MET A 605 11.745 -3.643 0.370 1.00 55.04 H new ATOM 0 HA MET A 605 13.212 -1.835 -1.297 1.00 33.11 H new ATOM 0 HB2 MET A 605 13.048 -4.859 -1.509 1.00 74.51 H new ATOM 0 HB3 MET A 605 14.364 -3.820 -2.019 1.00 74.51 H new ATOM 0 HG2 MET A 605 14.848 -3.243 0.331 1.00 54.35 H new ATOM 0 HG3 MET A 605 13.497 -4.221 0.866 1.00 54.35 H new ATOM 0 HE1 MET A 605 17.649 -5.656 -0.430 1.00 24.12 H new ATOM 0 HE2 MET A 605 16.755 -4.473 -1.414 1.00 24.12 H new ATOM 0 HE3 MET A 605 17.191 -4.084 0.267 1.00 24.12 H new ATOM 682 N ARG A 606 10.664 -3.452 -2.543 1.00 64.52 N ATOM 683 CA ARG A 606 9.793 -3.568 -3.707 1.00 54.33 C ATOM 684 C ARG A 606 9.053 -2.260 -3.965 1.00 1.41 C ATOM 685 O ARG A 606 8.833 -1.876 -5.114 1.00 44.43 O ATOM 686 CB ARG A 606 8.789 -4.705 -3.508 1.00 14.44 C ATOM 687 CG ARG A 606 7.589 -4.626 -4.438 1.00 50.32 C ATOM 688 CD ARG A 606 8.015 -4.619 -5.898 1.00 5.13 C ATOM 689 NE ARG A 606 7.485 -5.769 -6.628 1.00 74.15 N ATOM 690 CZ ARG A 606 7.805 -6.053 -7.886 1.00 44.55 C ATOM 691 NH1 ARG A 606 8.648 -5.273 -8.550 1.00 3.24 N ATOM 692 NH2 ARG A 606 7.282 -7.116 -8.481 1.00 12.20 N ATOM 0 H ARG A 606 10.306 -3.904 -1.702 1.00 64.52 H new ATOM 0 HA ARG A 606 10.415 -3.790 -4.574 1.00 54.33 H new ATOM 0 HB2 ARG A 606 9.296 -5.658 -3.662 1.00 14.44 H new ATOM 0 HB3 ARG A 606 8.440 -4.694 -2.476 1.00 14.44 H new ATOM 0 HG2 ARG A 606 6.929 -5.474 -4.255 1.00 50.32 H new ATOM 0 HG3 ARG A 606 7.017 -3.724 -4.220 1.00 50.32 H new ATOM 0 HD2 ARG A 606 7.672 -3.699 -6.372 1.00 5.13 H new ATOM 0 HD3 ARG A 606 9.103 -4.621 -5.958 1.00 5.13 H new ATOM 0 HE ARG A 606 6.834 -6.388 -6.145 1.00 74.15 H new ATOM 0 HH11 ARG A 606 9.051 -4.454 -8.095 1.00 3.24 H new ATOM 0 HH12 ARG A 606 8.893 -5.492 -9.516 1.00 3.24 H new ATOM 0 HH21 ARG A 606 6.633 -7.717 -7.973 1.00 12.20 H new ATOM 0 HH22 ARG A 606 7.529 -7.333 -9.447 1.00 12.20 H new ATOM 703 N ALA A 607 8.672 -1.579 -2.889 1.00 11.14 N ATOM 704 CA ALA A 607 7.957 -0.313 -3.000 1.00 73.31 C ATOM 705 C ALA A 607 8.928 0.860 -3.080 1.00 13.30 C ATOM 706 O ALA A 607 9.036 1.519 -4.114 1.00 54.41 O ATOM 707 CB ALA A 607 7.011 -0.137 -1.821 1.00 13.24 C ATOM 0 H ALA A 607 8.846 -1.883 -1.931 1.00 11.14 H new ATOM 0 HA ALA A 607 7.374 -0.332 -3.921 1.00 73.31 H new ATOM 0 HB1 ALA A 607 6.484 0.812 -1.916 1.00 13.24 H new ATOM 0 HB2 ALA A 607 6.289 -0.954 -1.809 1.00 13.24 H new ATOM 0 HB3 ALA A 607 7.582 -0.143 -0.892 1.00 13.24 H new ATOM 713 N PHE A 608 9.633 1.115 -1.983 1.00 55.32 N ATOM 714 CA PHE A 608 10.595 2.211 -1.929 1.00 24.24 C ATOM 715 C PHE A 608 11.823 1.897 -2.778 1.00 11.43 C ATOM 716 O PHE A 608 12.479 0.873 -2.588 1.00 64.31 O ATOM 717 CB PHE A 608 11.015 2.478 -0.482 1.00 13.14 C ATOM 718 CG PHE A 608 9.870 2.851 0.415 1.00 75.13 C ATOM 719 CD1 PHE A 608 9.047 1.875 0.951 1.00 63.12 C ATOM 720 CD2 PHE A 608 9.617 4.179 0.721 1.00 34.55 C ATOM 721 CE1 PHE A 608 7.993 2.215 1.778 1.00 25.22 C ATOM 722 CE2 PHE A 608 8.565 4.525 1.548 1.00 33.25 C ATOM 723 CZ PHE A 608 7.751 3.542 2.076 1.00 2.51 C ATOM 0 H PHE A 608 9.557 0.578 -1.119 1.00 55.32 H new ATOM 0 HA PHE A 608 10.116 3.104 -2.331 1.00 24.24 H new ATOM 0 HB2 PHE A 608 11.503 1.589 -0.084 1.00 13.14 H new ATOM 0 HB3 PHE A 608 11.753 3.280 -0.468 1.00 13.14 H new ATOM 0 HD1 PHE A 608 9.231 0.836 0.720 1.00 63.12 H new ATOM 0 HD2 PHE A 608 10.249 4.952 0.309 1.00 34.55 H new ATOM 0 HE1 PHE A 608 7.359 1.444 2.191 1.00 25.22 H new ATOM 0 HE2 PHE A 608 8.380 5.563 1.781 1.00 33.25 H new ATOM 0 HZ PHE A 608 6.927 3.810 2.721 1.00 2.51 H new ATOM 828 N TYR A 616 11.259 -0.297 8.436 1.00 23.01 N ATOM 829 CA TYR A 616 10.187 -1.122 7.891 1.00 50.32 C ATOM 830 C TYR A 616 8.849 -0.774 8.537 1.00 60.13 C ATOM 831 O TYR A 616 7.788 -1.000 7.956 1.00 23.33 O ATOM 832 CB TYR A 616 10.498 -2.604 8.104 1.00 35.13 C ATOM 833 CG TYR A 616 10.827 -2.955 9.537 1.00 43.11 C ATOM 834 CD1 TYR A 616 9.829 -3.015 10.504 1.00 73.04 C ATOM 835 CD2 TYR A 616 12.133 -3.224 9.925 1.00 64.33 C ATOM 836 CE1 TYR A 616 10.125 -3.334 11.816 1.00 32.04 C ATOM 837 CE2 TYR A 616 12.437 -3.545 11.235 1.00 0.11 C ATOM 838 CZ TYR A 616 11.430 -3.598 12.175 1.00 21.51 C ATOM 839 OH TYR A 616 11.730 -3.917 13.480 1.00 65.31 O ATOM 0 HA TYR A 616 10.117 -0.922 6.822 1.00 50.32 H new ATOM 0 HB2 TYR A 616 9.642 -3.196 7.781 1.00 35.13 H new ATOM 0 HB3 TYR A 616 11.338 -2.885 7.468 1.00 35.13 H new ATOM 0 HD1 TYR A 616 8.806 -2.809 10.225 1.00 73.04 H new ATOM 0 HD2 TYR A 616 12.924 -3.182 9.191 1.00 64.33 H new ATOM 0 HE1 TYR A 616 9.339 -3.376 12.555 1.00 32.04 H new ATOM 0 HE2 TYR A 616 13.458 -3.753 11.520 1.00 0.11 H new ATOM 0 HH TYR A 616 12.693 -4.075 13.565 1.00 65.31 H new ATOM 848 N VAL A 617 8.909 -0.220 9.744 1.00 31.12 N ATOM 849 CA VAL A 617 7.703 0.162 10.470 1.00 54.34 C ATOM 850 C VAL A 617 6.897 1.195 9.691 1.00 11.32 C ATOM 851 O VAL A 617 5.667 1.215 9.754 1.00 71.22 O ATOM 852 CB VAL A 617 8.042 0.734 11.859 1.00 21.21 C ATOM 853 CG1 VAL A 617 8.859 2.009 11.728 1.00 50.54 C ATOM 854 CG2 VAL A 617 6.771 0.984 12.656 1.00 41.23 C ATOM 0 H VAL A 617 9.779 -0.026 10.239 1.00 31.12 H new ATOM 0 HA VAL A 617 7.107 -0.743 10.593 1.00 54.34 H new ATOM 0 HB VAL A 617 8.643 0.001 12.397 1.00 21.21 H new ATOM 0 HG11 VAL A 617 9.088 2.398 12.720 1.00 50.54 H new ATOM 0 HG12 VAL A 617 9.787 1.794 11.199 1.00 50.54 H new ATOM 0 HG13 VAL A 617 8.288 2.751 11.171 1.00 50.54 H new ATOM 0 HG21 VAL A 617 7.029 1.388 13.635 1.00 41.23 H new ATOM 0 HG22 VAL A 617 6.142 1.697 12.123 1.00 41.23 H new ATOM 0 HG23 VAL A 617 6.230 0.046 12.782 1.00 41.23 H new ATOM 864 N ASP A 618 7.597 2.052 8.956 1.00 60.24 N ATOM 865 CA ASP A 618 6.946 3.088 8.162 1.00 41.34 C ATOM 866 C ASP A 618 6.028 2.472 7.113 1.00 5.45 C ATOM 867 O ASP A 618 4.862 2.851 6.992 1.00 32.22 O ATOM 868 CB ASP A 618 7.993 3.975 7.485 1.00 63.13 C ATOM 869 CG ASP A 618 7.995 5.389 8.033 1.00 74.42 C ATOM 870 OD1 ASP A 618 6.898 5.943 8.253 1.00 23.51 O ATOM 871 OD2 ASP A 618 9.096 5.941 8.243 1.00 73.43 O ATOM 0 H ASP A 618 8.615 2.050 8.893 1.00 60.24 H new ATOM 0 HA ASP A 618 6.342 3.699 8.832 1.00 41.34 H new ATOM 0 HB2 ASP A 618 8.981 3.534 7.621 1.00 63.13 H new ATOM 0 HB3 ASP A 618 7.801 4.004 6.412 1.00 63.13 H new ATOM 875 N LEU A 619 6.561 1.522 6.352 1.00 72.22 N ATOM 876 CA LEU A 619 5.789 0.853 5.310 1.00 71.51 C ATOM 877 C LEU A 619 4.593 0.118 5.906 1.00 2.24 C ATOM 878 O LEU A 619 3.590 -0.109 5.229 1.00 41.41 O ATOM 879 CB LEU A 619 6.676 -0.130 4.544 1.00 1.32 C ATOM 880 CG LEU A 619 6.731 -1.556 5.094 1.00 42.03 C ATOM 881 CD1 LEU A 619 5.696 -2.433 4.407 1.00 41.33 C ATOM 882 CD2 LEU A 619 8.126 -2.139 4.924 1.00 23.22 C ATOM 0 H LEU A 619 7.524 1.198 6.437 1.00 72.22 H new ATOM 0 HA LEU A 619 5.419 1.612 4.621 1.00 71.51 H new ATOM 0 HB2 LEU A 619 6.328 -0.174 3.512 1.00 1.32 H new ATOM 0 HB3 LEU A 619 7.690 0.269 4.522 1.00 1.32 H new ATOM 0 HG LEU A 619 6.500 -1.524 6.159 1.00 42.03 H new ATOM 0 HD11 LEU A 619 5.750 -3.444 4.811 1.00 41.33 H new ATOM 0 HD12 LEU A 619 4.700 -2.025 4.581 1.00 41.33 H new ATOM 0 HD13 LEU A 619 5.895 -2.459 3.336 1.00 41.33 H new ATOM 0 HD21 LEU A 619 8.147 -3.154 5.321 1.00 23.22 H new ATOM 0 HD22 LEU A 619 8.386 -2.158 3.866 1.00 23.22 H new ATOM 0 HD23 LEU A 619 8.846 -1.524 5.464 1.00 23.22 H new ATOM 893 N LYS A 620 4.705 -0.252 7.177 1.00 41.33 N ATOM 894 CA LYS A 620 3.632 -0.958 7.867 1.00 50.10 C ATOM 895 C LYS A 620 2.487 -0.010 8.208 1.00 55.22 C ATOM 896 O LYS A 620 1.320 -0.401 8.201 1.00 34.32 O ATOM 897 CB LYS A 620 4.163 -1.614 9.143 1.00 32.44 C ATOM 898 CG LYS A 620 3.381 -2.846 9.565 1.00 22.12 C ATOM 899 CD LYS A 620 3.957 -3.468 10.825 1.00 62.32 C ATOM 900 CE LYS A 620 3.535 -2.700 12.069 1.00 50.24 C ATOM 901 NZ LYS A 620 4.285 -3.143 13.276 1.00 74.23 N ATOM 0 H LYS A 620 5.529 -0.074 7.751 1.00 41.33 H new ATOM 0 HA LYS A 620 3.252 -1.731 7.199 1.00 50.10 H new ATOM 0 HB2 LYS A 620 5.206 -1.891 8.992 1.00 32.44 H new ATOM 0 HB3 LYS A 620 4.140 -0.885 9.953 1.00 32.44 H new ATOM 0 HG2 LYS A 620 2.339 -2.576 9.735 1.00 22.12 H new ATOM 0 HG3 LYS A 620 3.392 -3.579 8.758 1.00 22.12 H new ATOM 0 HD2 LYS A 620 3.625 -4.503 10.905 1.00 62.32 H new ATOM 0 HD3 LYS A 620 5.045 -3.486 10.759 1.00 62.32 H new ATOM 0 HE2 LYS A 620 3.699 -1.634 11.911 1.00 50.24 H new ATOM 0 HE3 LYS A 620 2.466 -2.837 12.235 1.00 50.24 H new ATOM 0 HZ1 LYS A 620 3.968 -2.596 14.102 1.00 74.23 H new ATOM 0 HZ2 LYS A 620 4.109 -4.154 13.443 1.00 74.23 H new ATOM 0 HZ3 LYS A 620 5.303 -2.989 13.128 1.00 74.23 H new ATOM 911 N ASP A 621 2.829 1.239 8.505 1.00 60.33 N ATOM 912 CA ASP A 621 1.830 2.244 8.847 1.00 45.31 C ATOM 913 C ASP A 621 1.027 2.653 7.616 1.00 62.10 C ATOM 914 O ASP A 621 -0.173 2.918 7.702 1.00 53.01 O ATOM 915 CB ASP A 621 2.501 3.472 9.465 1.00 43.40 C ATOM 916 CG ASP A 621 1.557 4.654 9.573 1.00 61.24 C ATOM 917 OD1 ASP A 621 0.389 4.446 9.964 1.00 11.51 O ATOM 918 OD2 ASP A 621 1.986 5.787 9.268 1.00 73.42 O ATOM 0 H ASP A 621 3.790 1.579 8.516 1.00 60.33 H new ATOM 0 HA ASP A 621 1.147 1.808 9.576 1.00 45.31 H new ATOM 0 HB2 ASP A 621 2.875 3.218 10.457 1.00 43.40 H new ATOM 0 HB3 ASP A 621 3.364 3.754 8.861 1.00 43.40 H new ATOM 922 N LYS A 622 1.696 2.705 6.470 1.00 15.10 N ATOM 923 CA LYS A 622 1.048 3.081 5.219 1.00 31.11 C ATOM 924 C LYS A 622 0.106 1.980 4.742 1.00 61.33 C ATOM 925 O LYS A 622 -0.996 2.255 4.268 1.00 43.11 O ATOM 926 CB LYS A 622 2.096 3.372 4.143 1.00 31.30 C ATOM 927 CG LYS A 622 3.100 4.440 4.544 1.00 64.41 C ATOM 928 CD LYS A 622 4.448 4.215 3.881 1.00 64.24 C ATOM 929 CE LYS A 622 5.589 4.708 4.759 1.00 60.21 C ATOM 930 NZ LYS A 622 6.119 6.020 4.295 1.00 3.30 N ATOM 0 H LYS A 622 2.689 2.491 6.381 1.00 15.10 H new ATOM 0 HA LYS A 622 0.463 3.983 5.400 1.00 31.11 H new ATOM 0 HB2 LYS A 622 2.631 2.451 3.911 1.00 31.30 H new ATOM 0 HB3 LYS A 622 1.590 3.686 3.230 1.00 31.30 H new ATOM 0 HG2 LYS A 622 2.717 5.423 4.268 1.00 64.41 H new ATOM 0 HG3 LYS A 622 3.221 4.438 5.627 1.00 64.41 H new ATOM 0 HD2 LYS A 622 4.580 3.153 3.673 1.00 64.24 H new ATOM 0 HD3 LYS A 622 4.475 4.733 2.923 1.00 64.24 H new ATOM 0 HE2 LYS A 622 5.242 4.800 5.788 1.00 60.21 H new ATOM 0 HE3 LYS A 622 6.392 3.971 4.758 1.00 60.21 H new ATOM 0 HZ1 LYS A 622 6.895 6.321 4.919 1.00 3.30 H new ATOM 0 HZ2 LYS A 622 6.474 5.927 3.322 1.00 3.30 H new ATOM 0 HZ3 LYS A 622 5.359 6.730 4.320 1.00 3.30 H new ATOM 940 N TRP A 623 0.547 0.734 4.873 1.00 0.45 N ATOM 941 CA TRP A 623 -0.258 -0.409 4.455 1.00 62.21 C ATOM 942 C TRP A 623 -1.449 -0.604 5.387 1.00 33.45 C ATOM 943 O TRP A 623 -2.588 -0.733 4.937 1.00 31.41 O ATOM 944 CB TRP A 623 0.596 -1.677 4.425 1.00 54.32 C ATOM 945 CG TRP A 623 -0.171 -2.918 4.768 1.00 52.51 C ATOM 946 CD1 TRP A 623 -1.280 -3.398 4.133 1.00 23.00 C ATOM 947 CD2 TRP A 623 0.114 -3.836 5.830 1.00 11.34 C ATOM 948 NE1 TRP A 623 -1.702 -4.558 4.736 1.00 1.55 N ATOM 949 CE2 TRP A 623 -0.863 -4.849 5.778 1.00 34.20 C ATOM 950 CE3 TRP A 623 1.101 -3.902 6.816 1.00 73.11 C ATOM 951 CZ2 TRP A 623 -0.881 -5.912 6.676 1.00 33.10 C ATOM 952 CZ3 TRP A 623 1.082 -4.958 7.708 1.00 41.43 C ATOM 953 CH2 TRP A 623 0.098 -5.952 7.633 1.00 44.20 C ATOM 0 H TRP A 623 1.456 0.489 5.265 1.00 0.45 H new ATOM 0 HA TRP A 623 -0.634 -0.210 3.451 1.00 62.21 H new ATOM 0 HB2 TRP A 623 1.031 -1.790 3.432 1.00 54.32 H new ATOM 0 HB3 TRP A 623 1.424 -1.565 5.125 1.00 54.32 H new ATOM 0 HD1 TRP A 623 -1.756 -2.934 3.282 1.00 23.00 H new ATOM 0 HE1 TRP A 623 -2.510 -5.113 4.453 1.00 1.55 H new ATOM 0 HE3 TRP A 623 1.865 -3.142 6.880 1.00 73.11 H new ATOM 0 HZ2 TRP A 623 -1.640 -6.678 6.620 1.00 33.10 H new ATOM 0 HZ3 TRP A 623 1.839 -5.018 8.476 1.00 41.43 H new ATOM 0 HH2 TRP A 623 0.112 -6.765 8.343 1.00 44.20 H new ATOM 963 N LYS A 624 -1.179 -0.627 6.688 1.00 21.14 N ATOM 964 CA LYS A 624 -2.228 -0.806 7.685 1.00 12.30 C ATOM 965 C LYS A 624 -3.376 0.171 7.448 1.00 62.40 C ATOM 966 O LYS A 624 -4.532 -0.233 7.317 1.00 64.33 O ATOM 967 CB LYS A 624 -1.661 -0.612 9.093 1.00 53.43 C ATOM 968 CG LYS A 624 -2.510 -1.242 10.182 1.00 25.43 C ATOM 969 CD LYS A 624 -2.536 -0.384 11.436 1.00 41.10 C ATOM 970 CE LYS A 624 -3.034 -1.170 12.640 1.00 52.31 C ATOM 971 NZ LYS A 624 -3.476 -0.273 13.744 1.00 33.15 N ATOM 0 H LYS A 624 -0.242 -0.524 7.077 1.00 21.14 H new ATOM 0 HA LYS A 624 -2.613 -1.821 7.592 1.00 12.30 H new ATOM 0 HB2 LYS A 624 -0.658 -1.038 9.134 1.00 53.43 H new ATOM 0 HB3 LYS A 624 -1.563 0.455 9.292 1.00 53.43 H new ATOM 0 HG2 LYS A 624 -3.527 -1.383 9.816 1.00 25.43 H new ATOM 0 HG3 LYS A 624 -2.118 -2.230 10.424 1.00 25.43 H new ATOM 0 HD2 LYS A 624 -1.535 -0.003 11.638 1.00 41.10 H new ATOM 0 HD3 LYS A 624 -3.180 0.481 11.273 1.00 41.10 H new ATOM 0 HE2 LYS A 624 -3.863 -1.810 12.338 1.00 52.31 H new ATOM 0 HE3 LYS A 624 -2.240 -1.825 13.000 1.00 52.31 H new ATOM 0 HZ1 LYS A 624 -3.808 -0.847 14.546 1.00 33.15 H new ATOM 0 HZ2 LYS A 624 -2.678 0.320 14.050 1.00 33.15 H new ATOM 0 HZ3 LYS A 624 -4.251 0.334 13.409 1.00 33.15 H new ATOM 981 N THR A 625 -3.049 1.458 7.392 1.00 41.01 N ATOM 982 CA THR A 625 -4.052 2.492 7.170 1.00 41.23 C ATOM 983 C THR A 625 -4.733 2.317 5.818 1.00 51.53 C ATOM 984 O THR A 625 -5.904 2.659 5.652 1.00 50.42 O ATOM 985 CB THR A 625 -3.432 3.900 7.242 1.00 64.45 C ATOM 986 OG1 THR A 625 -4.467 4.890 7.259 1.00 1.20 O ATOM 987 CG2 THR A 625 -2.506 4.146 6.060 1.00 64.43 C ATOM 0 H THR A 625 -2.097 1.809 7.497 1.00 41.01 H new ATOM 0 HA THR A 625 -4.793 2.388 7.962 1.00 41.23 H new ATOM 0 HB THR A 625 -2.848 3.969 8.160 1.00 64.45 H new ATOM 0 HG1 THR A 625 -4.065 5.783 7.306 1.00 1.20 H new ATOM 0 HG21 THR A 625 -2.080 5.147 6.133 1.00 64.43 H new ATOM 0 HG22 THR A 625 -1.703 3.409 6.067 1.00 64.43 H new ATOM 0 HG23 THR A 625 -3.070 4.059 5.131 1.00 64.43 H new ATOM 995 N LEU A 626 -3.992 1.784 4.853 1.00 31.44 N ATOM 996 CA LEU A 626 -4.524 1.562 3.513 1.00 3.33 C ATOM 997 C LEU A 626 -5.729 0.627 3.554 1.00 12.40 C ATOM 998 O LEU A 626 -6.801 0.956 3.043 1.00 75.44 O ATOM 999 CB LEU A 626 -3.443 0.979 2.602 1.00 74.30 C ATOM 1000 CG LEU A 626 -3.183 1.735 1.298 1.00 61.22 C ATOM 1001 CD1 LEU A 626 -1.870 1.288 0.675 1.00 43.40 C ATOM 1002 CD2 LEU A 626 -4.335 1.529 0.326 1.00 52.41 C ATOM 0 H LEU A 626 -3.021 1.497 4.973 1.00 31.44 H new ATOM 0 HA LEU A 626 -4.846 2.524 3.113 1.00 3.33 H new ATOM 0 HB2 LEU A 626 -2.510 0.932 3.163 1.00 74.30 H new ATOM 0 HB3 LEU A 626 -3.718 -0.046 2.355 1.00 74.30 H new ATOM 0 HG LEU A 626 -3.110 2.799 1.524 1.00 61.22 H new ATOM 0 HD11 LEU A 626 -1.702 1.836 -0.252 1.00 43.40 H new ATOM 0 HD12 LEU A 626 -1.052 1.487 1.368 1.00 43.40 H new ATOM 0 HD13 LEU A 626 -1.913 0.220 0.462 1.00 43.40 H new ATOM 0 HD21 LEU A 626 -4.134 2.074 -0.597 1.00 52.41 H new ATOM 0 HD22 LEU A 626 -4.439 0.467 0.105 1.00 52.41 H new ATOM 0 HD23 LEU A 626 -5.258 1.899 0.772 1.00 52.41 H new ATOM 1013 N VAL A 627 -5.547 -0.539 4.164 1.00 31.42 N ATOM 1014 CA VAL A 627 -6.619 -1.520 4.274 1.00 65.31 C ATOM 1015 C VAL A 627 -7.826 -0.937 5.000 1.00 41.04 C ATOM 1016 O VAL A 627 -8.943 -0.952 4.482 1.00 14.43 O ATOM 1017 CB VAL A 627 -6.149 -2.784 5.019 1.00 62.41 C ATOM 1018 CG1 VAL A 627 -7.322 -3.717 5.282 1.00 13.14 C ATOM 1019 CG2 VAL A 627 -5.060 -3.494 4.228 1.00 3.22 C ATOM 0 H VAL A 627 -4.666 -0.828 4.590 1.00 31.42 H new ATOM 0 HA VAL A 627 -6.905 -1.790 3.258 1.00 65.31 H new ATOM 0 HB VAL A 627 -5.732 -2.484 5.980 1.00 62.41 H new ATOM 0 HG11 VAL A 627 -6.970 -4.604 5.809 1.00 13.14 H new ATOM 0 HG12 VAL A 627 -8.066 -3.204 5.892 1.00 13.14 H new ATOM 0 HG13 VAL A 627 -7.772 -4.013 4.334 1.00 13.14 H new ATOM 0 HG21 VAL A 627 -4.740 -4.385 4.769 1.00 3.22 H new ATOM 0 HG22 VAL A 627 -5.449 -3.783 3.252 1.00 3.22 H new ATOM 0 HG23 VAL A 627 -4.210 -2.824 4.096 1.00 3.22 H new ATOM 1029 N HIS A 628 -7.594 -0.421 6.203 1.00 1.44 N ATOM 1030 CA HIS A 628 -8.663 0.171 7.000 1.00 34.11 C ATOM 1031 C HIS A 628 -9.416 1.228 6.200 1.00 44.23 C ATOM 1032 O HIS A 628 -10.606 1.459 6.420 1.00 13.14 O ATOM 1033 CB HIS A 628 -8.093 0.790 8.276 1.00 44.13 C ATOM 1034 CG HIS A 628 -7.575 -0.221 9.253 1.00 52.25 C ATOM 1035 ND1 HIS A 628 -7.004 0.123 10.460 1.00 14.13 N ATOM 1036 CD2 HIS A 628 -7.546 -1.573 9.196 1.00 71.21 C ATOM 1037 CE1 HIS A 628 -6.643 -0.973 11.102 1.00 21.42 C ATOM 1038 NE2 HIS A 628 -6.961 -2.017 10.357 1.00 44.31 N ATOM 0 H HIS A 628 -6.676 -0.401 6.647 1.00 1.44 H new ATOM 0 HA HIS A 628 -9.362 -0.620 7.270 1.00 34.11 H new ATOM 0 HB2 HIS A 628 -7.286 1.472 8.010 1.00 44.13 H new ATOM 0 HB3 HIS A 628 -8.868 1.386 8.759 1.00 44.13 H new ATOM 0 HD2 HIS A 628 -7.914 -2.188 8.388 1.00 71.21 H new ATOM 0 HE1 HIS A 628 -6.168 -1.010 12.071 1.00 21.42 H new ATOM 0 HE2 HIS A 628 -6.799 -2.993 10.604 1.00 44.31 H new ATOM 1045 N THR A 629 -8.716 1.871 5.271 1.00 11.42 N ATOM 1046 CA THR A 629 -9.317 2.905 4.438 1.00 42.11 C ATOM 1047 C THR A 629 -10.232 2.298 3.381 1.00 21.31 C ATOM 1048 O THR A 629 -11.206 2.920 2.958 1.00 62.35 O ATOM 1049 CB THR A 629 -8.243 3.761 3.742 1.00 52.10 C ATOM 1050 OG1 THR A 629 -7.547 4.557 4.708 1.00 35.45 O ATOM 1051 CG2 THR A 629 -8.869 4.664 2.690 1.00 50.41 C ATOM 0 H THR A 629 -7.731 1.693 5.076 1.00 11.42 H new ATOM 0 HA THR A 629 -9.905 3.541 5.100 1.00 42.11 H new ATOM 0 HB THR A 629 -7.539 3.090 3.250 1.00 52.10 H new ATOM 0 HG1 THR A 629 -6.736 4.088 4.996 1.00 35.45 H new ATOM 0 HG21 THR A 629 -8.091 5.259 2.212 1.00 50.41 H new ATOM 0 HG22 THR A 629 -9.372 4.054 1.940 1.00 50.41 H new ATOM 0 HG23 THR A 629 -9.593 5.327 3.164 1.00 50.41 H new ATOM 1059 N ALA A 630 -9.912 1.080 2.958 1.00 12.13 N ATOM 1060 CA ALA A 630 -10.707 0.387 1.952 1.00 1.31 C ATOM 1061 C ALA A 630 -12.174 0.318 2.362 1.00 23.21 C ATOM 1062 O ALA A 630 -13.064 0.658 1.582 1.00 73.30 O ATOM 1063 CB ALA A 630 -10.158 -1.011 1.714 1.00 74.41 C ATOM 0 H ALA A 630 -9.107 0.552 3.296 1.00 12.13 H new ATOM 0 HA ALA A 630 -10.643 0.953 1.023 1.00 1.31 H new ATOM 0 HB1 ALA A 630 -10.762 -1.516 0.960 1.00 74.41 H new ATOM 0 HB2 ALA A 630 -9.127 -0.943 1.367 1.00 74.41 H new ATOM 0 HB3 ALA A 630 -10.191 -1.578 2.644 1.00 74.41 H new ATOM 1069 N SER A 631 -12.420 -0.123 3.592 1.00 34.32 N ATOM 1070 CA SER A 631 -13.779 -0.241 4.105 1.00 32.34 C ATOM 1071 C SER A 631 -13.787 -0.923 5.470 1.00 22.35 C ATOM 1072 O SER A 631 -14.266 -2.049 5.610 1.00 65.13 O ATOM 1073 CB SER A 631 -14.650 -1.029 3.124 1.00 42.21 C ATOM 1074 OG SER A 631 -15.862 -1.438 3.734 1.00 32.25 O ATOM 0 H SER A 631 -11.695 -0.404 4.252 1.00 34.32 H new ATOM 0 HA SER A 631 -14.187 0.763 4.217 1.00 32.34 H new ATOM 0 HB2 SER A 631 -14.868 -0.414 2.251 1.00 42.21 H new ATOM 0 HB3 SER A 631 -14.104 -1.903 2.770 1.00 42.21 H new ATOM 0 HG SER A 631 -15.666 -2.059 4.466 1.00 32.25 H new ATOM 1079 N ILE A 632 -13.254 -0.232 6.472 1.00 35.55 N ATOM 1080 CA ILE A 632 -13.201 -0.770 7.826 1.00 21.15 C ATOM 1081 C ILE A 632 -13.738 0.236 8.838 1.00 21.31 C ATOM 1082 O ILE A 632 -14.862 0.104 9.323 1.00 52.13 O ATOM 1083 CB ILE A 632 -11.765 -1.161 8.221 1.00 34.21 C ATOM 1084 CG1 ILE A 632 -11.325 -2.413 7.457 1.00 41.14 C ATOM 1085 CG2 ILE A 632 -11.670 -1.389 9.722 1.00 3.43 C ATOM 1086 CD1 ILE A 632 -11.015 -2.154 6.000 1.00 13.45 C ATOM 0 H ILE A 632 -12.853 0.701 6.372 1.00 35.55 H new ATOM 0 HA ILE A 632 -13.827 -1.662 7.836 1.00 21.15 H new ATOM 0 HB ILE A 632 -11.096 -0.342 7.956 1.00 34.21 H new ATOM 0 HG12 ILE A 632 -10.441 -2.831 7.939 1.00 41.14 H new ATOM 0 HG13 ILE A 632 -12.111 -3.165 7.525 1.00 41.14 H new ATOM 0 HG21 ILE A 632 -10.649 -1.665 9.984 1.00 3.43 H new ATOM 0 HG22 ILE A 632 -11.945 -0.474 10.247 1.00 3.43 H new ATOM 0 HG23 ILE A 632 -12.348 -2.192 10.012 1.00 3.43 H new ATOM 0 HD11 ILE A 632 -10.710 -3.085 5.522 1.00 13.45 H new ATOM 0 HD12 ILE A 632 -11.903 -1.765 5.503 1.00 13.45 H new ATOM 0 HD13 ILE A 632 -10.208 -1.426 5.924 1.00 13.45 H new ATOM 1097 N ALA A 633 -12.928 1.241 9.152 1.00 71.03 N ATOM 1098 CA ALA A 633 -13.324 2.272 10.103 1.00 74.04 C ATOM 1099 C ALA A 633 -13.708 3.563 9.387 1.00 22.14 C ATOM 1100 O ALA A 633 -13.126 3.933 8.367 1.00 73.12 O ATOM 1101 CB ALA A 633 -12.200 2.533 11.096 1.00 43.33 C ATOM 0 H ALA A 633 -11.994 1.363 8.762 1.00 71.03 H new ATOM 0 HA ALA A 633 -14.199 1.914 10.645 1.00 74.04 H new ATOM 0 HB1 ALA A 633 -12.509 3.305 11.801 1.00 43.33 H new ATOM 0 HB2 ALA A 633 -11.974 1.615 11.639 1.00 43.33 H new ATOM 0 HB3 ALA A 633 -11.311 2.866 10.560 1.00 43.33 H new ATOM 1210 N PRO A 641 -8.547 12.288 -1.479 1.00 61.34 N ATOM 1211 CA PRO A 641 -9.162 11.276 -2.341 1.00 24.21 C ATOM 1212 C PRO A 641 -8.299 10.025 -2.473 1.00 42.21 C ATOM 1213 O PRO A 641 -7.149 10.096 -2.908 1.00 5.44 O ATOM 1214 CB PRO A 641 -9.285 11.986 -3.691 1.00 42.14 C ATOM 1215 CG PRO A 641 -8.218 13.026 -3.670 1.00 5.23 C ATOM 1216 CD PRO A 641 -8.100 13.468 -2.238 1.00 53.03 C ATOM 0 HA PRO A 641 -10.113 10.924 -1.941 1.00 24.21 H new ATOM 0 HB2 PRO A 641 -9.144 11.291 -4.518 1.00 42.14 H new ATOM 0 HB3 PRO A 641 -10.271 12.433 -3.815 1.00 42.14 H new ATOM 0 HG2 PRO A 641 -7.273 12.623 -4.033 1.00 5.23 H new ATOM 0 HG3 PRO A 641 -8.477 13.864 -4.317 1.00 5.23 H new ATOM 0 HD2 PRO A 641 -7.076 13.744 -1.986 1.00 53.03 H new ATOM 0 HD3 PRO A 641 -8.724 14.338 -2.033 1.00 53.03 H new ATOM 1221 N VAL A 642 -8.861 8.881 -2.096 1.00 12.02 N ATOM 1222 CA VAL A 642 -8.143 7.614 -2.175 1.00 62.15 C ATOM 1223 C VAL A 642 -8.644 6.770 -3.340 1.00 11.41 C ATOM 1224 O VAL A 642 -9.846 6.621 -3.560 1.00 62.11 O ATOM 1225 CB VAL A 642 -8.286 6.807 -0.870 1.00 42.31 C ATOM 1226 CG1 VAL A 642 -9.753 6.652 -0.496 1.00 55.35 C ATOM 1227 CG2 VAL A 642 -7.617 5.448 -1.010 1.00 32.03 C ATOM 0 H VAL A 642 -9.811 8.805 -1.733 1.00 12.02 H new ATOM 0 HA VAL A 642 -7.091 7.854 -2.332 1.00 62.15 H new ATOM 0 HB VAL A 642 -7.787 7.352 -0.069 1.00 42.31 H new ATOM 0 HG11 VAL A 642 -9.834 6.080 0.428 1.00 55.35 H new ATOM 0 HG12 VAL A 642 -10.198 7.637 -0.353 1.00 55.35 H new ATOM 0 HG13 VAL A 642 -10.279 6.129 -1.295 1.00 55.35 H new ATOM 0 HG21 VAL A 642 -7.727 4.891 -0.080 1.00 32.03 H new ATOM 0 HG22 VAL A 642 -8.086 4.894 -1.823 1.00 32.03 H new ATOM 0 HG23 VAL A 642 -6.558 5.585 -1.228 1.00 32.03 H new ATOM 1237 N PRO A 643 -7.702 6.201 -4.107 1.00 53.31 N ATOM 1238 CA PRO A 643 -8.023 5.360 -5.264 1.00 74.14 C ATOM 1239 C PRO A 643 -8.636 4.026 -4.857 1.00 21.43 C ATOM 1240 O PRO A 643 -8.088 3.311 -4.018 1.00 33.31 O ATOM 1241 CB PRO A 643 -6.663 5.143 -5.933 1.00 63.32 C ATOM 1242 CG PRO A 643 -5.670 5.308 -4.835 1.00 32.52 C ATOM 1243 CD PRO A 643 -6.249 6.336 -3.903 1.00 22.30 C ATOM 0 HA PRO A 643 -8.763 5.826 -5.915 1.00 74.14 H new ATOM 0 HB2 PRO A 643 -6.596 4.152 -6.382 1.00 63.32 H new ATOM 0 HB3 PRO A 643 -6.495 5.866 -6.731 1.00 63.32 H new ATOM 0 HG2 PRO A 643 -5.500 4.364 -4.317 1.00 32.52 H new ATOM 0 HG3 PRO A 643 -4.707 5.635 -5.226 1.00 32.52 H new ATOM 0 HD2 PRO A 643 -5.969 6.143 -2.867 1.00 22.30 H new ATOM 0 HD3 PRO A 643 -5.901 7.340 -4.145 1.00 22.30 H new ATOM 1248 N GLN A 644 -9.776 3.696 -5.456 1.00 31.44 N ATOM 1249 CA GLN A 644 -10.463 2.445 -5.155 1.00 55.12 C ATOM 1250 C GLN A 644 -9.658 1.248 -5.653 1.00 5.13 C ATOM 1251 O GLN A 644 -9.784 0.142 -5.128 1.00 23.43 O ATOM 1252 CB GLN A 644 -11.855 2.438 -5.788 1.00 12.34 C ATOM 1253 CG GLN A 644 -12.809 1.442 -5.149 1.00 3.42 C ATOM 1254 CD GLN A 644 -14.207 1.518 -5.730 1.00 42.21 C ATOM 1255 OE1 GLN A 644 -14.846 2.571 -5.705 1.00 24.35 O ATOM 1256 NE2 GLN A 644 -14.691 0.399 -6.258 1.00 41.01 N ATOM 0 H GLN A 644 -10.243 4.277 -6.152 1.00 31.44 H new ATOM 0 HA GLN A 644 -10.564 2.366 -4.073 1.00 55.12 H new ATOM 0 HB2 GLN A 644 -12.284 3.438 -5.714 1.00 12.34 H new ATOM 0 HB3 GLN A 644 -11.761 2.209 -6.850 1.00 12.34 H new ATOM 0 HG2 GLN A 644 -12.418 0.433 -5.283 1.00 3.42 H new ATOM 0 HG3 GLN A 644 -12.855 1.626 -4.076 1.00 3.42 H new ATOM 0 HE21 GLN A 644 -14.127 -0.451 -6.257 1.00 41.01 H new ATOM 0 HE22 GLN A 644 -15.627 0.390 -6.664 1.00 41.01 H new ATOM 1263 N ASP A 645 -8.834 1.477 -6.669 1.00 71.04 N ATOM 1264 CA ASP A 645 -8.009 0.418 -7.237 1.00 11.51 C ATOM 1265 C ASP A 645 -7.019 -0.114 -6.205 1.00 51.34 C ATOM 1266 O ASP A 645 -6.792 -1.320 -6.110 1.00 1.22 O ATOM 1267 CB ASP A 645 -7.256 0.933 -8.466 1.00 41.22 C ATOM 1268 CG ASP A 645 -6.575 -0.181 -9.236 1.00 73.55 C ATOM 1269 OD1 ASP A 645 -7.283 -0.957 -9.911 1.00 43.04 O ATOM 1270 OD2 ASP A 645 -5.331 -0.276 -9.164 1.00 21.40 O ATOM 0 H ASP A 645 -8.720 2.387 -7.116 1.00 71.04 H new ATOM 0 HA ASP A 645 -8.666 -0.398 -7.538 1.00 11.51 H new ATOM 0 HB2 ASP A 645 -7.953 1.453 -9.124 1.00 41.22 H new ATOM 0 HB3 ASP A 645 -6.510 1.663 -8.152 1.00 41.22 H new ATOM 1274 N LEU A 646 -6.431 0.796 -5.435 1.00 23.40 N ATOM 1275 CA LEU A 646 -5.464 0.419 -4.410 1.00 23.41 C ATOM 1276 C LEU A 646 -6.163 -0.197 -3.202 1.00 31.01 C ATOM 1277 O LEU A 646 -5.635 -1.108 -2.562 1.00 73.04 O ATOM 1278 CB LEU A 646 -4.651 1.638 -3.975 1.00 41.54 C ATOM 1279 CG LEU A 646 -3.891 2.368 -5.083 1.00 43.35 C ATOM 1280 CD1 LEU A 646 -3.026 3.474 -4.498 1.00 11.01 C ATOM 1281 CD2 LEU A 646 -3.041 1.390 -5.881 1.00 24.42 C ATOM 0 H LEU A 646 -6.607 1.799 -5.501 1.00 23.40 H new ATOM 0 HA LEU A 646 -4.792 -0.325 -4.837 1.00 23.41 H new ATOM 0 HB2 LEU A 646 -5.326 2.348 -3.496 1.00 41.54 H new ATOM 0 HB3 LEU A 646 -3.934 1.320 -3.218 1.00 41.54 H new ATOM 0 HG LEU A 646 -4.618 2.821 -5.757 1.00 43.35 H new ATOM 0 HD11 LEU A 646 -2.493 3.982 -5.301 1.00 11.01 H new ATOM 0 HD12 LEU A 646 -3.657 4.190 -3.972 1.00 11.01 H new ATOM 0 HD13 LEU A 646 -2.307 3.043 -3.801 1.00 11.01 H new ATOM 0 HD21 LEU A 646 -2.507 1.927 -6.665 1.00 24.42 H new ATOM 0 HD22 LEU A 646 -2.323 0.907 -5.218 1.00 24.42 H new ATOM 0 HD23 LEU A 646 -3.683 0.634 -6.332 1.00 24.42 H new ATOM 1292 N LEU A 647 -7.356 0.303 -2.896 1.00 12.30 N ATOM 1293 CA LEU A 647 -8.129 -0.199 -1.766 1.00 24.40 C ATOM 1294 C LEU A 647 -8.682 -1.591 -2.060 1.00 60.22 C ATOM 1295 O LEU A 647 -8.682 -2.465 -1.193 1.00 71.50 O ATOM 1296 CB LEU A 647 -9.276 0.759 -1.442 1.00 63.23 C ATOM 1297 CG LEU A 647 -8.872 2.132 -0.905 1.00 52.44 C ATOM 1298 CD1 LEU A 647 -10.102 2.937 -0.515 1.00 21.22 C ATOM 1299 CD2 LEU A 647 -7.930 1.986 0.281 1.00 11.05 C ATOM 0 H LEU A 647 -7.808 1.056 -3.415 1.00 12.30 H new ATOM 0 HA LEU A 647 -7.465 -0.266 -0.904 1.00 24.40 H new ATOM 0 HB2 LEU A 647 -9.868 0.904 -2.346 1.00 63.23 H new ATOM 0 HB3 LEU A 647 -9.926 0.281 -0.709 1.00 63.23 H new ATOM 0 HG LEU A 647 -8.348 2.669 -1.696 1.00 52.44 H new ATOM 0 HD11 LEU A 647 -9.794 3.911 -0.135 1.00 21.22 H new ATOM 0 HD12 LEU A 647 -10.740 3.073 -1.388 1.00 21.22 H new ATOM 0 HD13 LEU A 647 -10.655 2.404 0.258 1.00 21.22 H new ATOM 0 HD21 LEU A 647 -7.653 2.974 0.650 1.00 11.05 H new ATOM 0 HD22 LEU A 647 -8.428 1.429 1.075 1.00 11.05 H new ATOM 0 HD23 LEU A 647 -7.033 1.451 -0.031 1.00 11.05 H new ATOM 1310 N ASP A 648 -9.149 -1.789 -3.287 1.00 41.03 N ATOM 1311 CA ASP A 648 -9.702 -3.074 -3.697 1.00 34.31 C ATOM 1312 C ASP A 648 -8.596 -4.113 -3.862 1.00 63.44 C ATOM 1313 O ASP A 648 -8.817 -5.306 -3.656 1.00 23.03 O ATOM 1314 CB ASP A 648 -10.478 -2.926 -5.006 1.00 4.24 C ATOM 1315 CG ASP A 648 -11.695 -3.829 -5.063 1.00 43.14 C ATOM 1316 OD1 ASP A 648 -12.650 -3.588 -4.294 1.00 55.33 O ATOM 1317 OD2 ASP A 648 -11.693 -4.776 -5.877 1.00 33.23 O ATOM 0 H ASP A 648 -9.156 -1.075 -4.016 1.00 41.03 H new ATOM 0 HA ASP A 648 -10.383 -3.414 -2.917 1.00 34.31 H new ATOM 0 HB2 ASP A 648 -10.793 -1.889 -5.123 1.00 4.24 H new ATOM 0 HB3 ASP A 648 -9.819 -3.156 -5.843 1.00 4.24 H new ATOM 1321 N ARG A 649 -7.407 -3.650 -4.234 1.00 2.12 N ATOM 1322 CA ARG A 649 -6.269 -4.539 -4.429 1.00 34.03 C ATOM 1323 C ARG A 649 -5.711 -5.011 -3.089 1.00 44.04 C ATOM 1324 O ARG A 649 -5.492 -6.205 -2.881 1.00 3.23 O ATOM 1325 CB ARG A 649 -5.173 -3.831 -5.228 1.00 72.52 C ATOM 1326 CG ARG A 649 -5.437 -3.796 -6.724 1.00 54.33 C ATOM 1327 CD ARG A 649 -5.135 -5.136 -7.375 1.00 41.21 C ATOM 1328 NE ARG A 649 -3.968 -5.070 -8.250 1.00 61.23 N ATOM 1329 CZ ARG A 649 -3.614 -6.047 -9.078 1.00 11.12 C ATOM 1330 NH1 ARG A 649 -4.333 -7.158 -9.143 1.00 61.22 N ATOM 1331 NH2 ARG A 649 -2.538 -5.912 -9.843 1.00 41.22 N ATOM 0 H ARG A 649 -7.207 -2.665 -4.406 1.00 2.12 H new ATOM 0 HA ARG A 649 -6.612 -5.410 -4.987 1.00 34.03 H new ATOM 0 HB2 ARG A 649 -5.070 -2.810 -4.862 1.00 72.52 H new ATOM 0 HB3 ARG A 649 -4.222 -4.332 -5.047 1.00 72.52 H new ATOM 0 HG2 ARG A 649 -6.478 -3.529 -6.905 1.00 54.33 H new ATOM 0 HG3 ARG A 649 -4.825 -3.021 -7.184 1.00 54.33 H new ATOM 0 HD2 ARG A 649 -4.966 -5.885 -6.601 1.00 41.21 H new ATOM 0 HD3 ARG A 649 -6.001 -5.463 -7.950 1.00 41.21 H new ATOM 0 HE ARG A 649 -3.393 -4.228 -8.224 1.00 61.23 H new ATOM 0 HH11 ARG A 649 -5.161 -7.265 -8.557 1.00 61.22 H new ATOM 0 HH12 ARG A 649 -4.059 -7.906 -9.780 1.00 61.22 H new ATOM 0 HH21 ARG A 649 -1.982 -5.058 -9.795 1.00 41.22 H new ATOM 0 HH22 ARG A 649 -2.267 -6.662 -10.478 1.00 41.22 H new ATOM 1342 N VAL A 650 -5.485 -4.066 -2.182 1.00 25.40 N ATOM 1343 CA VAL A 650 -4.955 -4.384 -0.862 1.00 33.54 C ATOM 1344 C VAL A 650 -5.877 -5.343 -0.116 1.00 54.24 C ATOM 1345 O VAL A 650 -5.418 -6.188 0.655 1.00 64.02 O ATOM 1346 CB VAL A 650 -4.760 -3.114 -0.014 1.00 52.32 C ATOM 1347 CG1 VAL A 650 -6.032 -2.779 0.750 1.00 21.24 C ATOM 1348 CG2 VAL A 650 -3.586 -3.284 0.939 1.00 71.32 C ATOM 0 H VAL A 650 -5.661 -3.073 -2.338 1.00 25.40 H new ATOM 0 HA VAL A 650 -3.987 -4.861 -1.017 1.00 33.54 H new ATOM 0 HB VAL A 650 -4.538 -2.283 -0.684 1.00 52.32 H new ATOM 0 HG11 VAL A 650 -5.874 -1.878 1.343 1.00 21.24 H new ATOM 0 HG12 VAL A 650 -6.846 -2.611 0.045 1.00 21.24 H new ATOM 0 HG13 VAL A 650 -6.289 -3.608 1.410 1.00 21.24 H new ATOM 0 HG21 VAL A 650 -3.463 -2.377 1.530 1.00 71.32 H new ATOM 0 HG22 VAL A 650 -3.776 -4.127 1.603 1.00 71.32 H new ATOM 0 HG23 VAL A 650 -2.677 -3.470 0.367 1.00 71.32 H new ATOM 1358 N LEU A 651 -7.177 -5.207 -0.351 1.00 60.21 N ATOM 1359 CA LEU A 651 -8.165 -6.063 0.299 1.00 13.40 C ATOM 1360 C LEU A 651 -8.110 -7.480 -0.262 1.00 3.41 C ATOM 1361 O LEU A 651 -8.190 -8.456 0.482 1.00 24.30 O ATOM 1362 CB LEU A 651 -9.568 -5.482 0.117 1.00 2.12 C ATOM 1363 CG LEU A 651 -10.236 -4.933 1.378 1.00 34.05 C ATOM 1364 CD1 LEU A 651 -9.276 -4.034 2.141 1.00 63.14 C ATOM 1365 CD2 LEU A 651 -11.509 -4.178 1.021 1.00 72.43 C ATOM 0 H LEU A 651 -7.572 -4.513 -0.986 1.00 60.21 H new ATOM 0 HA LEU A 651 -7.932 -6.105 1.363 1.00 13.40 H new ATOM 0 HB2 LEU A 651 -9.515 -4.681 -0.620 1.00 2.12 H new ATOM 0 HB3 LEU A 651 -10.209 -6.258 -0.301 1.00 2.12 H new ATOM 0 HG LEU A 651 -10.504 -5.772 2.020 1.00 34.05 H new ATOM 0 HD11 LEU A 651 -9.768 -3.652 3.035 1.00 63.14 H new ATOM 0 HD12 LEU A 651 -8.393 -4.605 2.428 1.00 63.14 H new ATOM 0 HD13 LEU A 651 -8.977 -3.199 1.507 1.00 63.14 H new ATOM 0 HD21 LEU A 651 -11.971 -3.794 1.930 1.00 72.43 H new ATOM 0 HD22 LEU A 651 -11.266 -3.347 0.359 1.00 72.43 H new ATOM 0 HD23 LEU A 651 -12.203 -4.852 0.518 1.00 72.43 H new ATOM 1376 N ALA A 652 -7.972 -7.584 -1.580 1.00 42.41 N ATOM 1377 CA ALA A 652 -7.903 -8.881 -2.241 1.00 65.31 C ATOM 1378 C ALA A 652 -6.801 -9.746 -1.639 1.00 12.21 C ATOM 1379 O ALA A 652 -7.019 -10.914 -1.322 1.00 71.41 O ATOM 1380 CB ALA A 652 -7.680 -8.702 -3.735 1.00 5.20 C ATOM 0 H ALA A 652 -7.906 -6.785 -2.211 1.00 42.41 H new ATOM 0 HA ALA A 652 -8.854 -9.391 -2.086 1.00 65.31 H new ATOM 0 HB1 ALA A 652 -7.631 -9.679 -4.215 1.00 5.20 H new ATOM 0 HB2 ALA A 652 -8.505 -8.130 -4.160 1.00 5.20 H new ATOM 0 HB3 ALA A 652 -6.744 -8.168 -3.902 1.00 5.20 H new ATOM 1386 N ALA A 653 -5.616 -9.163 -1.487 1.00 51.20 N ATOM 1387 CA ALA A 653 -4.479 -9.880 -0.922 1.00 53.21 C ATOM 1388 C ALA A 653 -4.624 -10.036 0.588 1.00 54.45 C ATOM 1389 O ALA A 653 -4.410 -11.118 1.134 1.00 61.24 O ATOM 1390 CB ALA A 653 -3.181 -9.161 -1.260 1.00 32.41 C ATOM 0 H ALA A 653 -5.419 -8.197 -1.747 1.00 51.20 H new ATOM 0 HA ALA A 653 -4.454 -10.877 -1.362 1.00 53.21 H new ATOM 0 HB1 ALA A 653 -2.340 -9.707 -0.832 1.00 32.41 H new ATOM 0 HB2 ALA A 653 -3.066 -9.108 -2.343 1.00 32.41 H new ATOM 0 HB3 ALA A 653 -3.206 -8.152 -0.848 1.00 32.41 H new ATOM 1396 N HIS A 654 -4.985 -8.946 1.258 1.00 64.15 N ATOM 1397 CA HIS A 654 -5.157 -8.962 2.706 1.00 53.05 C ATOM 1398 C HIS A 654 -6.125 -10.064 3.126 1.00 62.25 C ATOM 1399 O HIS A 654 -5.898 -10.757 4.118 1.00 20.04 O ATOM 1400 CB HIS A 654 -5.667 -7.605 3.195 1.00 32.33 C ATOM 1401 CG HIS A 654 -5.885 -7.546 4.676 1.00 54.43 C ATOM 1402 ND1 HIS A 654 -7.133 -7.608 5.257 1.00 11.23 N ATOM 1403 CD2 HIS A 654 -5.002 -7.429 5.696 1.00 24.41 C ATOM 1404 CE1 HIS A 654 -7.011 -7.532 6.570 1.00 52.51 C ATOM 1405 NE2 HIS A 654 -5.727 -7.422 6.863 1.00 30.14 N ATOM 0 H HIS A 654 -5.164 -8.042 0.822 1.00 64.15 H new ATOM 0 HA HIS A 654 -4.187 -9.163 3.160 1.00 53.05 H new ATOM 0 HB2 HIS A 654 -4.952 -6.833 2.910 1.00 32.33 H new ATOM 0 HB3 HIS A 654 -6.604 -7.374 2.688 1.00 32.33 H new ATOM 0 HD2 HIS A 654 -3.928 -7.355 5.608 1.00 24.41 H new ATOM 0 HE1 HIS A 654 -7.822 -7.556 7.283 1.00 52.51 H new ATOM 0 HE2 HIS A 654 -5.338 -7.345 7.803 1.00 30.14 H new ATOM 1412 N ALA A 655 -7.204 -10.218 2.367 1.00 14.20 N ATOM 1413 CA ALA A 655 -8.205 -11.237 2.660 1.00 3.50 C ATOM 1414 C ALA A 655 -7.715 -12.622 2.252 1.00 2.31 C ATOM 1415 O ALA A 655 -7.830 -13.581 3.015 1.00 11.11 O ATOM 1416 CB ALA A 655 -9.513 -10.908 1.956 1.00 11.11 C ATOM 0 H ALA A 655 -7.408 -9.650 1.544 1.00 14.20 H new ATOM 0 HA ALA A 655 -8.376 -11.245 3.736 1.00 3.50 H new ATOM 0 HB1 ALA A 655 -10.252 -11.677 2.183 1.00 11.11 H new ATOM 0 HB2 ALA A 655 -9.878 -9.941 2.300 1.00 11.11 H new ATOM 0 HB3 ALA A 655 -9.347 -10.871 0.879 1.00 11.11 H new ATOM 1422 N TYR A 656 -7.170 -12.720 1.044 1.00 44.35 N ATOM 1423 CA TYR A 656 -6.666 -13.988 0.534 1.00 14.25 C ATOM 1424 C TYR A 656 -5.637 -14.588 1.487 1.00 12.33 C ATOM 1425 O TYR A 656 -5.719 -15.762 1.847 1.00 22.23 O ATOM 1426 CB TYR A 656 -6.044 -13.794 -0.850 1.00 31.22 C ATOM 1427 CG TYR A 656 -5.335 -15.023 -1.374 1.00 22.21 C ATOM 1428 CD1 TYR A 656 -6.028 -16.005 -2.070 1.00 64.03 C ATOM 1429 CD2 TYR A 656 -3.973 -15.202 -1.172 1.00 14.22 C ATOM 1430 CE1 TYR A 656 -5.386 -17.130 -2.550 1.00 73.35 C ATOM 1431 CE2 TYR A 656 -3.320 -16.323 -1.649 1.00 62.10 C ATOM 1432 CZ TYR A 656 -4.031 -17.283 -2.337 1.00 21.34 C ATOM 1433 OH TYR A 656 -3.387 -18.403 -2.813 1.00 41.22 O ATOM 0 H TYR A 656 -7.066 -11.936 0.400 1.00 44.35 H new ATOM 0 HA TYR A 656 -7.506 -14.678 0.454 1.00 14.25 H new ATOM 0 HB2 TYR A 656 -6.826 -13.509 -1.554 1.00 31.22 H new ATOM 0 HB3 TYR A 656 -5.336 -12.967 -0.808 1.00 31.22 H new ATOM 0 HD1 TYR A 656 -7.088 -15.887 -2.239 1.00 64.03 H new ATOM 0 HD2 TYR A 656 -3.414 -14.452 -0.633 1.00 14.22 H new ATOM 0 HE1 TYR A 656 -5.940 -17.885 -3.088 1.00 73.35 H new ATOM 0 HE2 TYR A 656 -2.260 -16.446 -1.484 1.00 62.10 H new ATOM 0 HH TYR A 656 -2.436 -18.357 -2.580 1.00 41.22 H new ATOM 1442 N TRP A 657 -4.669 -13.774 1.891 1.00 2.22 N ATOM 1443 CA TRP A 657 -3.623 -14.223 2.803 1.00 4.52 C ATOM 1444 C TRP A 657 -4.183 -14.454 4.202 1.00 43.25 C ATOM 1445 O TRP A 657 -3.771 -15.380 4.900 1.00 50.44 O ATOM 1446 CB TRP A 657 -2.490 -13.197 2.856 1.00 34.21 C ATOM 1447 CG TRP A 657 -1.760 -13.050 1.555 1.00 3.42 C ATOM 1448 CD1 TRP A 657 -1.640 -11.913 0.807 1.00 24.14 C ATOM 1449 CD2 TRP A 657 -1.052 -14.075 0.848 1.00 43.15 C ATOM 1450 NE1 TRP A 657 -0.901 -12.170 -0.322 1.00 55.33 N ATOM 1451 CE2 TRP A 657 -0.527 -13.488 -0.320 1.00 52.41 C ATOM 1452 CE3 TRP A 657 -0.809 -15.429 1.090 1.00 0.01 C ATOM 1453 CZ2 TRP A 657 0.224 -14.211 -1.242 1.00 14.40 C ATOM 1454 CZ3 TRP A 657 -0.063 -16.146 0.173 1.00 43.54 C ATOM 1455 CH2 TRP A 657 0.447 -15.536 -0.981 1.00 52.43 C ATOM 0 H TRP A 657 -4.586 -12.799 1.602 1.00 2.22 H new ATOM 0 HA TRP A 657 -3.230 -15.169 2.429 1.00 4.52 H new ATOM 0 HB2 TRP A 657 -2.899 -12.229 3.146 1.00 34.21 H new ATOM 0 HB3 TRP A 657 -1.781 -13.489 3.631 1.00 34.21 H new ATOM 0 HD1 TRP A 657 -2.064 -10.954 1.065 1.00 24.14 H new ATOM 0 HE1 TRP A 657 -0.668 -11.489 -1.045 1.00 55.33 H new ATOM 0 HE3 TRP A 657 -1.197 -15.907 1.977 1.00 0.01 H new ATOM 0 HZ2 TRP A 657 0.617 -13.743 -2.132 1.00 14.40 H new ATOM 0 HZ3 TRP A 657 0.130 -17.194 0.349 1.00 43.54 H new ATOM 0 HH2 TRP A 657 1.027 -16.123 -1.678 1.00 52.43 H new ATOM 1465 N SER A 658 -5.124 -13.606 4.606 1.00 1.33 N ATOM 1466 CA SER A 658 -5.738 -13.716 5.923 1.00 41.24 C ATOM 1467 C SER A 658 -6.302 -15.116 6.145 1.00 54.01 C ATOM 1468 O SER A 658 -6.275 -15.637 7.260 1.00 22.14 O ATOM 1469 CB SER A 658 -6.848 -12.676 6.080 1.00 71.01 C ATOM 1470 OG SER A 658 -7.623 -12.928 7.240 1.00 51.31 O ATOM 0 H SER A 658 -5.477 -12.835 4.039 1.00 1.33 H new ATOM 0 HA SER A 658 -4.968 -13.531 6.672 1.00 41.24 H new ATOM 0 HB2 SER A 658 -6.411 -11.679 6.140 1.00 71.01 H new ATOM 0 HB3 SER A 658 -7.490 -12.690 5.200 1.00 71.01 H new ATOM 0 HG SER A 658 -8.325 -12.248 7.319 1.00 51.31 H new ATOM 1475 N GLN A 659 -6.811 -15.718 5.075 1.00 31.12 N ATOM 1476 CA GLN A 659 -7.382 -17.057 5.152 1.00 24.41 C ATOM 1477 C GLN A 659 -6.359 -18.056 5.684 1.00 63.42 C ATOM 1478 O GLN A 659 -6.722 -19.090 6.244 1.00 42.25 O ATOM 1479 CB GLN A 659 -7.880 -17.503 3.776 1.00 62.25 C ATOM 1480 CG GLN A 659 -8.988 -18.542 3.837 1.00 53.42 C ATOM 1481 CD GLN A 659 -9.269 -19.173 2.487 1.00 42.02 C ATOM 1482 OE1 GLN A 659 -9.885 -18.558 1.617 1.00 64.03 O ATOM 1483 NE2 GLN A 659 -8.819 -20.409 2.306 1.00 52.14 N ATOM 0 H GLN A 659 -6.840 -15.300 4.145 1.00 31.12 H new ATOM 0 HA GLN A 659 -8.225 -17.025 5.842 1.00 24.41 H new ATOM 0 HB2 GLN A 659 -8.240 -16.632 3.229 1.00 62.25 H new ATOM 0 HB3 GLN A 659 -7.042 -17.910 3.210 1.00 62.25 H new ATOM 0 HG2 GLN A 659 -8.712 -19.321 4.548 1.00 53.42 H new ATOM 0 HG3 GLN A 659 -9.899 -18.075 4.213 1.00 53.42 H new ATOM 0 HE21 GLN A 659 -8.313 -20.882 3.054 1.00 52.14 H new ATOM 0 HE22 GLN A 659 -8.980 -20.885 1.418 1.00 52.14 H new