USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 624 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Set 1.2: A 628 HIS :FLIP no HD1:sc= -0.975 F(o=-2.5!,f=-0.98) USER MOD Single : A 581 SER OG : rot 24:sc= 0.419 USER MOD Single : A 594 HIS : no HE2:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 597 THR OG1 : rot -75:sc= -0.0506 USER MOD Single : A 604 LYS NZ :NH3+ 141:sc= -0.394 (180deg=-1.25) 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 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 629 THR OG1 : rot 81:sc= 0.943 USER MOD Single : A 631 SER OG : rot 76:sc= 1.17 USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-3!) 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=-0.18) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.186 9.964 -2.290 1.00 32.30 N ATOM 322 CA SER A 581 0.549 10.192 -3.580 1.00 11.44 C ATOM 323 C SER A 581 0.114 8.873 -4.213 1.00 62.32 C ATOM 324 O SER A 581 0.642 7.810 -3.884 1.00 70.41 O ATOM 325 CB SER A 581 1.501 10.932 -4.521 1.00 0.13 C ATOM 326 OG SER A 581 2.271 11.891 -3.816 1.00 65.11 O ATOM 0 HA SER A 581 -0.337 10.806 -3.415 1.00 11.44 H new ATOM 0 HB2 SER A 581 2.163 10.217 -5.010 1.00 0.13 H new ATOM 0 HB3 SER A 581 0.930 11.426 -5.307 1.00 0.13 H new ATOM 0 HG SER A 581 2.323 11.638 -2.871 1.00 65.11 H new ATOM 331 N VAL A 582 -0.851 8.949 -5.123 1.00 31.54 N ATOM 332 CA VAL A 582 -1.356 7.762 -5.804 1.00 54.24 C ATOM 333 C VAL A 582 -0.217 6.945 -6.401 1.00 72.52 C ATOM 334 O VAL A 582 -0.242 5.715 -6.374 1.00 34.53 O ATOM 335 CB VAL A 582 -2.347 8.136 -6.922 1.00 14.41 C ATOM 336 CG1 VAL A 582 -3.649 8.655 -6.331 1.00 64.15 C ATOM 337 CG2 VAL A 582 -1.731 9.165 -7.858 1.00 63.23 C ATOM 0 H VAL A 582 -1.299 9.820 -5.406 1.00 31.54 H new ATOM 0 HA VAL A 582 -1.874 7.163 -5.055 1.00 54.24 H new ATOM 0 HB VAL A 582 -2.570 7.239 -7.500 1.00 14.41 H new ATOM 0 HG11 VAL A 582 -4.336 8.914 -7.136 1.00 64.15 H new ATOM 0 HG12 VAL A 582 -4.098 7.883 -5.705 1.00 64.15 H new ATOM 0 HG13 VAL A 582 -3.447 9.540 -5.727 1.00 64.15 H new ATOM 0 HG21 VAL A 582 -2.445 9.418 -8.642 1.00 63.23 H new ATOM 0 HG22 VAL A 582 -1.477 10.063 -7.295 1.00 63.23 H new ATOM 0 HG23 VAL A 582 -0.828 8.753 -8.309 1.00 63.23 H new ATOM 347 N ALA A 583 0.781 7.637 -6.941 1.00 71.34 N ATOM 348 CA ALA A 583 1.932 6.975 -7.543 1.00 74.43 C ATOM 349 C ALA A 583 2.795 6.300 -6.482 1.00 72.24 C ATOM 350 O ALA A 583 3.323 5.210 -6.700 1.00 75.13 O ATOM 351 CB ALA A 583 2.757 7.974 -8.340 1.00 31.05 C ATOM 0 H ALA A 583 0.816 8.656 -6.974 1.00 71.34 H new ATOM 0 HA ALA A 583 1.564 6.203 -8.219 1.00 74.43 H new ATOM 0 HB1 ALA A 583 3.613 7.467 -8.784 1.00 31.05 H new ATOM 0 HB2 ALA A 583 2.142 8.406 -9.129 1.00 31.05 H new ATOM 0 HB3 ALA A 583 3.108 8.766 -7.678 1.00 31.05 H new ATOM 357 N GLU A 584 2.933 6.957 -5.333 1.00 23.41 N ATOM 358 CA GLU A 584 3.734 6.419 -4.240 1.00 70.01 C ATOM 359 C GLU A 584 3.041 5.223 -3.595 1.00 44.44 C ATOM 360 O GLU A 584 3.614 4.137 -3.496 1.00 34.12 O ATOM 361 CB GLU A 584 3.994 7.501 -3.188 1.00 1.24 C ATOM 362 CG GLU A 584 4.652 8.749 -3.750 1.00 52.24 C ATOM 363 CD GLU A 584 6.120 8.850 -3.384 1.00 60.15 C ATOM 364 OE1 GLU A 584 6.456 8.602 -2.207 1.00 13.10 O ATOM 365 OE2 GLU A 584 6.933 9.176 -4.274 1.00 10.44 O ATOM 0 H GLU A 584 2.501 7.860 -5.136 1.00 23.41 H new ATOM 0 HA GLU A 584 4.687 6.086 -4.652 1.00 70.01 H new ATOM 0 HB2 GLU A 584 3.048 7.777 -2.722 1.00 1.24 H new ATOM 0 HB3 GLU A 584 4.628 7.088 -2.403 1.00 1.24 H new ATOM 0 HG2 GLU A 584 4.551 8.751 -4.835 1.00 52.24 H new ATOM 0 HG3 GLU A 584 4.128 9.630 -3.380 1.00 52.24 H new ATOM 370 N VAL A 585 1.803 5.430 -3.155 1.00 64.43 N ATOM 371 CA VAL A 585 1.031 4.370 -2.518 1.00 0.34 C ATOM 372 C VAL A 585 0.835 3.190 -3.464 1.00 22.33 C ATOM 373 O VAL A 585 0.788 2.039 -3.033 1.00 63.35 O ATOM 374 CB VAL A 585 -0.348 4.880 -2.058 1.00 4.21 C ATOM 375 CG1 VAL A 585 -1.058 5.598 -3.195 1.00 5.35 C ATOM 376 CG2 VAL A 585 -1.193 3.728 -1.534 1.00 73.54 C ATOM 0 H VAL A 585 1.314 6.322 -3.228 1.00 64.43 H new ATOM 0 HA VAL A 585 1.599 4.043 -1.647 1.00 0.34 H new ATOM 0 HB VAL A 585 -0.201 5.592 -1.246 1.00 4.21 H new ATOM 0 HG11 VAL A 585 -2.030 5.951 -2.851 1.00 5.35 H new ATOM 0 HG12 VAL A 585 -0.457 6.448 -3.520 1.00 5.35 H new ATOM 0 HG13 VAL A 585 -1.196 4.911 -4.030 1.00 5.35 H new ATOM 0 HG21 VAL A 585 -2.164 4.105 -1.213 1.00 73.54 H new ATOM 0 HG22 VAL A 585 -1.333 2.991 -2.325 1.00 73.54 H new ATOM 0 HG23 VAL A 585 -0.688 3.261 -0.688 1.00 73.54 H new ATOM 386 N GLU A 586 0.722 3.485 -4.755 1.00 54.11 N ATOM 387 CA GLU A 586 0.531 2.448 -5.762 1.00 31.21 C ATOM 388 C GLU A 586 1.574 1.345 -5.610 1.00 22.13 C ATOM 389 O GLU A 586 1.314 0.183 -5.923 1.00 51.12 O ATOM 390 CB GLU A 586 0.608 3.049 -7.167 1.00 31.21 C ATOM 391 CG GLU A 586 -0.749 3.257 -7.815 1.00 0.24 C ATOM 392 CD GLU A 586 -0.696 4.222 -8.984 1.00 61.12 C ATOM 393 OE1 GLU A 586 0.422 4.539 -9.441 1.00 54.20 O ATOM 394 OE2 GLU A 586 -1.773 4.659 -9.441 1.00 31.21 O ATOM 0 H GLU A 586 0.759 4.434 -5.128 1.00 54.11 H new ATOM 0 HA GLU A 586 -0.457 2.013 -5.616 1.00 31.21 H new ATOM 0 HB2 GLU A 586 1.127 4.006 -7.116 1.00 31.21 H new ATOM 0 HB3 GLU A 586 1.207 2.395 -7.800 1.00 31.21 H new ATOM 0 HG2 GLU A 586 -1.134 2.297 -8.158 1.00 0.24 H new ATOM 0 HG3 GLU A 586 -1.450 3.633 -7.070 1.00 0.24 H new ATOM 399 N ALA A 587 2.755 1.717 -5.129 1.00 24.34 N ATOM 400 CA ALA A 587 3.838 0.760 -4.935 1.00 44.24 C ATOM 401 C ALA A 587 3.633 -0.049 -3.658 1.00 11.11 C ATOM 402 O ALA A 587 3.929 -1.243 -3.613 1.00 20.10 O ATOM 403 CB ALA A 587 5.178 1.479 -4.897 1.00 32.10 C ATOM 0 H ALA A 587 2.987 2.675 -4.866 1.00 24.34 H new ATOM 0 HA ALA A 587 3.834 0.068 -5.777 1.00 44.24 H new ATOM 0 HB1 ALA A 587 5.977 0.752 -4.752 1.00 32.10 H new ATOM 0 HB2 ALA A 587 5.334 2.007 -5.838 1.00 32.10 H new ATOM 0 HB3 ALA A 587 5.184 2.194 -4.074 1.00 32.10 H new ATOM 409 N LEU A 588 3.124 0.609 -2.622 1.00 40.13 N ATOM 410 CA LEU A 588 2.880 -0.048 -1.343 1.00 71.31 C ATOM 411 C LEU A 588 1.964 -1.256 -1.518 1.00 73.43 C ATOM 412 O LEU A 588 2.264 -2.349 -1.037 1.00 1.12 O ATOM 413 CB LEU A 588 2.260 0.937 -0.351 1.00 41.30 C ATOM 414 CG LEU A 588 2.543 0.668 1.128 1.00 53.45 C ATOM 415 CD1 LEU A 588 2.243 -0.782 1.474 1.00 21.34 C ATOM 416 CD2 LEU A 588 3.986 1.013 1.466 1.00 24.03 C ATOM 0 H LEU A 588 2.872 1.597 -2.643 1.00 40.13 H new ATOM 0 HA LEU A 588 3.837 -0.394 -0.952 1.00 71.31 H new ATOM 0 HB2 LEU A 588 2.617 1.938 -0.592 1.00 41.30 H new ATOM 0 HB3 LEU A 588 1.180 0.940 -0.499 1.00 41.30 H new ATOM 0 HG LEU A 588 1.890 1.304 1.725 1.00 53.45 H new ATOM 0 HD11 LEU A 588 2.450 -0.954 2.530 1.00 21.34 H new ATOM 0 HD12 LEU A 588 1.194 -0.995 1.271 1.00 21.34 H new ATOM 0 HD13 LEU A 588 2.870 -1.438 0.869 1.00 21.34 H new ATOM 0 HD21 LEU A 588 4.170 0.815 2.522 1.00 24.03 H new ATOM 0 HD22 LEU A 588 4.657 0.404 0.861 1.00 24.03 H new ATOM 0 HD23 LEU A 588 4.166 2.068 1.257 1.00 24.03 H new ATOM 427 N VAL A 589 0.849 -1.051 -2.210 1.00 43.34 N ATOM 428 CA VAL A 589 -0.109 -2.124 -2.451 1.00 54.30 C ATOM 429 C VAL A 589 0.460 -3.163 -3.409 1.00 11.04 C ATOM 430 O VAL A 589 0.506 -4.352 -3.095 1.00 42.22 O ATOM 431 CB VAL A 589 -1.429 -1.578 -3.028 1.00 51.34 C ATOM 432 CG1 VAL A 589 -2.470 -2.683 -3.117 1.00 22.11 C ATOM 433 CG2 VAL A 589 -1.940 -0.420 -2.184 1.00 75.12 C ATOM 0 H VAL A 589 0.586 -0.152 -2.614 1.00 43.34 H new ATOM 0 HA VAL A 589 -0.308 -2.593 -1.488 1.00 54.30 H new ATOM 0 HB VAL A 589 -1.240 -1.208 -4.036 1.00 51.34 H new ATOM 0 HG11 VAL A 589 -3.396 -2.279 -3.527 1.00 22.11 H new ATOM 0 HG12 VAL A 589 -2.102 -3.478 -3.766 1.00 22.11 H new ATOM 0 HG13 VAL A 589 -2.659 -3.086 -2.122 1.00 22.11 H new ATOM 0 HG21 VAL A 589 -2.873 -0.046 -2.606 1.00 75.12 H new ATOM 0 HG22 VAL A 589 -2.114 -0.762 -1.164 1.00 75.12 H new ATOM 0 HG23 VAL A 589 -1.199 0.380 -2.177 1.00 75.12 H new ATOM 443 N GLU A 590 0.893 -2.707 -4.581 1.00 74.35 N ATOM 444 CA GLU A 590 1.460 -3.598 -5.586 1.00 42.14 C ATOM 445 C GLU A 590 2.547 -4.480 -4.980 1.00 52.12 C ATOM 446 O GLU A 590 2.614 -5.678 -5.253 1.00 0.41 O ATOM 447 CB GLU A 590 2.034 -2.789 -6.751 1.00 63.21 C ATOM 448 CG GLU A 590 0.974 -2.238 -7.690 1.00 31.33 C ATOM 449 CD GLU A 590 1.567 -1.443 -8.836 1.00 34.33 C ATOM 450 OE1 GLU A 590 2.771 -1.616 -9.120 1.00 62.34 O ATOM 451 OE2 GLU A 590 0.827 -0.646 -9.450 1.00 73.24 O ATOM 0 H GLU A 590 0.862 -1.726 -4.857 1.00 74.35 H new ATOM 0 HA GLU A 590 0.661 -4.240 -5.958 1.00 42.14 H new ATOM 0 HB2 GLU A 590 2.621 -1.961 -6.353 1.00 63.21 H new ATOM 0 HB3 GLU A 590 2.718 -3.420 -7.319 1.00 63.21 H new ATOM 0 HG2 GLU A 590 0.385 -3.063 -8.091 1.00 31.33 H new ATOM 0 HG3 GLU A 590 0.290 -1.602 -7.127 1.00 31.33 H new ATOM 456 N ALA A 591 3.398 -3.878 -4.154 1.00 12.15 N ATOM 457 CA ALA A 591 4.481 -4.608 -3.508 1.00 31.13 C ATOM 458 C ALA A 591 3.941 -5.600 -2.485 1.00 4.24 C ATOM 459 O ALA A 591 4.437 -6.722 -2.370 1.00 14.21 O ATOM 460 CB ALA A 591 5.449 -3.639 -2.845 1.00 1.32 C ATOM 0 H ALA A 591 3.357 -2.887 -3.917 1.00 12.15 H new ATOM 0 HA ALA A 591 5.014 -5.170 -4.275 1.00 31.13 H new ATOM 0 HB1 ALA A 591 6.253 -4.198 -2.366 1.00 1.32 H new ATOM 0 HB2 ALA A 591 5.869 -2.972 -3.598 1.00 1.32 H new ATOM 0 HB3 ALA A 591 4.919 -3.052 -2.095 1.00 1.32 H new ATOM 466 N VAL A 592 2.920 -5.182 -1.742 1.00 73.22 N ATOM 467 CA VAL A 592 2.312 -6.035 -0.728 1.00 1.43 C ATOM 468 C VAL A 592 1.549 -7.190 -1.367 1.00 11.02 C ATOM 469 O VAL A 592 1.390 -8.251 -0.764 1.00 73.34 O ATOM 470 CB VAL A 592 1.352 -5.237 0.174 1.00 73.11 C ATOM 471 CG1 VAL A 592 0.437 -6.177 0.945 1.00 33.42 C ATOM 472 CG2 VAL A 592 2.134 -4.342 1.123 1.00 44.31 C ATOM 0 H VAL A 592 2.497 -4.257 -1.824 1.00 73.22 H new ATOM 0 HA VAL A 592 3.125 -6.432 -0.120 1.00 1.43 H new ATOM 0 HB VAL A 592 0.731 -4.602 -0.458 1.00 73.11 H new ATOM 0 HG11 VAL A 592 -0.234 -5.595 1.577 1.00 33.42 H new ATOM 0 HG12 VAL A 592 -0.149 -6.771 0.244 1.00 33.42 H new ATOM 0 HG13 VAL A 592 1.038 -6.840 1.568 1.00 33.42 H new ATOM 0 HG21 VAL A 592 1.440 -3.785 1.753 1.00 44.31 H new ATOM 0 HG22 VAL A 592 2.782 -4.955 1.750 1.00 44.31 H new ATOM 0 HG23 VAL A 592 2.741 -3.644 0.547 1.00 44.31 H new ATOM 482 N GLU A 593 1.081 -6.976 -2.593 1.00 41.54 N ATOM 483 CA GLU A 593 0.333 -8.001 -3.314 1.00 33.32 C ATOM 484 C GLU A 593 1.263 -9.107 -3.804 1.00 40.42 C ATOM 485 O GLU A 593 0.893 -10.283 -3.820 1.00 54.13 O ATOM 486 CB GLU A 593 -0.410 -7.382 -4.499 1.00 51.31 C ATOM 487 CG GLU A 593 -1.898 -7.199 -4.255 1.00 21.01 C ATOM 488 CD GLU A 593 -2.637 -6.717 -5.490 1.00 62.32 C ATOM 489 OE1 GLU A 593 -2.309 -5.620 -5.987 1.00 33.03 O ATOM 490 OE2 GLU A 593 -3.543 -7.439 -5.957 1.00 34.53 O ATOM 0 H GLU A 593 1.206 -6.104 -3.107 1.00 41.54 H new ATOM 0 HA GLU A 593 -0.393 -8.437 -2.627 1.00 33.32 H new ATOM 0 HB2 GLU A 593 0.034 -6.413 -4.730 1.00 51.31 H new ATOM 0 HB3 GLU A 593 -0.269 -8.014 -5.376 1.00 51.31 H new ATOM 0 HG2 GLU A 593 -2.327 -8.145 -3.925 1.00 21.01 H new ATOM 0 HG3 GLU A 593 -2.044 -6.483 -3.446 1.00 21.01 H new ATOM 495 N HIS A 594 2.472 -8.723 -4.204 1.00 4.23 N ATOM 496 CA HIS A 594 3.454 -9.683 -4.695 1.00 71.11 C ATOM 497 C HIS A 594 4.252 -10.282 -3.541 1.00 42.15 C ATOM 498 O HIS A 594 4.427 -11.499 -3.459 1.00 4.34 O ATOM 499 CB HIS A 594 4.401 -9.011 -5.690 1.00 53.24 C ATOM 500 CG HIS A 594 3.772 -8.731 -7.020 1.00 32.21 C ATOM 501 ND1 HIS A 594 3.130 -7.548 -7.315 1.00 52.12 N ATOM 502 CD2 HIS A 594 3.692 -9.490 -8.138 1.00 41.33 C ATOM 503 CE1 HIS A 594 2.680 -7.591 -8.556 1.00 72.21 C ATOM 504 NE2 HIS A 594 3.009 -8.759 -9.078 1.00 2.20 N ATOM 0 H HIS A 594 2.794 -7.755 -4.198 1.00 4.23 H new ATOM 0 HA HIS A 594 2.919 -10.487 -5.200 1.00 71.11 H new ATOM 0 HB2 HIS A 594 4.759 -8.075 -5.262 1.00 53.24 H new ATOM 0 HB3 HIS A 594 5.273 -9.649 -5.837 1.00 53.24 H new ATOM 0 HD1 HIS A 594 3.020 -6.762 -6.675 1.00 52.12 H new ATOM 0 HD2 HIS A 594 4.091 -10.485 -8.267 1.00 41.33 H new ATOM 0 HE1 HIS A 594 2.136 -6.805 -9.058 1.00 72.21 H new ATOM 511 N LEU A 595 4.734 -9.422 -2.651 1.00 30.33 N ATOM 512 CA LEU A 595 5.514 -9.867 -1.501 1.00 75.45 C ATOM 513 C LEU A 595 4.603 -10.385 -0.393 1.00 72.01 C ATOM 514 O LEU A 595 5.020 -11.188 0.442 1.00 53.42 O ATOM 515 CB LEU A 595 6.377 -8.720 -0.972 1.00 70.42 C ATOM 516 CG LEU A 595 7.630 -8.393 -1.785 1.00 72.30 C ATOM 517 CD1 LEU A 595 8.462 -9.646 -2.011 1.00 55.02 C ATOM 518 CD2 LEU A 595 7.253 -7.754 -3.113 1.00 3.12 C ATOM 0 H LEU A 595 4.599 -8.412 -2.703 1.00 30.33 H new ATOM 0 HA LEU A 595 6.161 -10.682 -1.825 1.00 75.45 H new ATOM 0 HB2 LEU A 595 5.760 -7.823 -0.917 1.00 70.42 H new ATOM 0 HB3 LEU A 595 6.682 -8.961 0.046 1.00 70.42 H new ATOM 0 HG LEU A 595 8.230 -7.680 -1.220 1.00 72.30 H new ATOM 0 HD11 LEU A 595 9.350 -9.394 -2.591 1.00 55.02 H new ATOM 0 HD12 LEU A 595 8.763 -10.061 -1.049 1.00 55.02 H new ATOM 0 HD13 LEU A 595 7.870 -10.382 -2.555 1.00 55.02 H new ATOM 0 HD21 LEU A 595 8.157 -7.528 -3.678 1.00 3.12 H new ATOM 0 HD22 LEU A 595 6.631 -8.443 -3.684 1.00 3.12 H new ATOM 0 HD23 LEU A 595 6.700 -6.833 -2.930 1.00 3.12 H new ATOM 529 N GLY A 596 3.357 -9.922 -0.393 1.00 5.44 N ATOM 530 CA GLY A 596 2.406 -10.353 0.615 1.00 55.00 C ATOM 531 C GLY A 596 2.547 -9.581 1.912 1.00 72.33 C ATOM 532 O GLY A 596 3.337 -8.640 2.001 1.00 72.55 O ATOM 0 H GLY A 596 2.989 -9.256 -1.073 1.00 5.44 H new ATOM 0 HA2 GLY A 596 1.393 -10.230 0.231 1.00 55.00 H new ATOM 0 HA3 GLY A 596 2.546 -11.416 0.811 1.00 55.00 H new ATOM 536 N THR A 597 1.779 -9.977 2.922 1.00 13.02 N ATOM 537 CA THR A 597 1.820 -9.315 4.219 1.00 54.54 C ATOM 538 C THR A 597 2.792 -10.014 5.164 1.00 15.32 C ATOM 539 O THR A 597 2.657 -9.928 6.383 1.00 75.21 O ATOM 540 CB THR A 597 0.426 -9.273 4.874 1.00 22.01 C ATOM 541 OG1 THR A 597 -0.229 -10.537 4.710 1.00 54.42 O ATOM 542 CG2 THR A 597 -0.426 -8.172 4.264 1.00 13.35 C ATOM 0 H THR A 597 1.120 -10.754 2.866 1.00 13.02 H new ATOM 0 HA THR A 597 2.161 -8.295 4.041 1.00 54.54 H new ATOM 0 HB THR A 597 0.553 -9.064 5.936 1.00 22.01 H new ATOM 0 HG1 THR A 597 -0.542 -10.626 3.785 1.00 54.42 H new ATOM 0 HG21 THR A 597 -1.405 -8.162 4.743 1.00 13.35 H new ATOM 0 HG22 THR A 597 0.061 -7.209 4.415 1.00 13.35 H new ATOM 0 HG23 THR A 597 -0.546 -8.354 3.196 1.00 13.35 H new ATOM 550 N GLY A 598 3.772 -10.706 4.590 1.00 52.44 N ATOM 551 CA GLY A 598 4.752 -11.409 5.396 1.00 24.31 C ATOM 552 C GLY A 598 6.172 -10.973 5.093 1.00 41.14 C ATOM 553 O GLY A 598 7.102 -11.311 5.825 1.00 41.04 O ATOM 0 H GLY A 598 3.904 -10.792 3.582 1.00 52.44 H new ATOM 0 HA2 GLY A 598 4.540 -11.238 6.451 1.00 24.31 H new ATOM 0 HA3 GLY A 598 4.659 -12.481 5.222 1.00 24.31 H new ATOM 557 N ARG A 599 6.340 -10.222 4.009 1.00 62.13 N ATOM 558 CA ARG A 599 7.657 -9.742 3.609 1.00 63.22 C ATOM 559 C ARG A 599 7.656 -8.226 3.443 1.00 12.21 C ATOM 560 O ARG A 599 7.625 -7.715 2.324 1.00 35.03 O ATOM 561 CB ARG A 599 8.092 -10.409 2.303 1.00 10.42 C ATOM 562 CG ARG A 599 8.223 -11.920 2.405 1.00 21.11 C ATOM 563 CD ARG A 599 7.985 -12.592 1.061 1.00 42.10 C ATOM 564 NE ARG A 599 7.710 -14.019 1.204 1.00 64.31 N ATOM 565 CZ ARG A 599 8.657 -14.937 1.364 1.00 4.31 C ATOM 566 NH1 ARG A 599 9.933 -14.580 1.402 1.00 54.30 N ATOM 567 NH2 ARG A 599 8.327 -16.217 1.488 1.00 14.33 N ATOM 0 H ARG A 599 5.581 -9.933 3.392 1.00 62.13 H new ATOM 0 HA ARG A 599 8.365 -10.003 4.395 1.00 63.22 H new ATOM 0 HB2 ARG A 599 7.370 -10.167 1.523 1.00 10.42 H new ATOM 0 HB3 ARG A 599 9.049 -9.990 1.992 1.00 10.42 H new ATOM 0 HG2 ARG A 599 9.218 -12.176 2.770 1.00 21.11 H new ATOM 0 HG3 ARG A 599 7.508 -12.300 3.135 1.00 21.11 H new ATOM 0 HD2 ARG A 599 7.147 -12.110 0.558 1.00 42.10 H new ATOM 0 HD3 ARG A 599 8.860 -12.453 0.426 1.00 42.10 H new ATOM 0 HE ARG A 599 6.738 -14.328 1.180 1.00 64.31 H new ATOM 0 HH11 ARG A 599 10.191 -13.598 1.308 1.00 54.30 H new ATOM 0 HH12 ARG A 599 10.657 -15.288 1.525 1.00 54.30 H new ATOM 0 HH21 ARG A 599 7.346 -16.496 1.460 1.00 14.33 H new ATOM 0 HH22 ARG A 599 9.054 -16.922 1.611 1.00 14.33 H new ATOM 578 N TRP A 600 7.688 -7.513 4.563 1.00 31.15 N ATOM 579 CA TRP A 600 7.689 -6.054 4.540 1.00 71.32 C ATOM 580 C TRP A 600 9.008 -5.520 3.994 1.00 71.31 C ATOM 581 O TRP A 600 9.026 -4.583 3.195 1.00 65.14 O ATOM 582 CB TRP A 600 7.444 -5.502 5.945 1.00 72.41 C ATOM 583 CG TRP A 600 6.312 -6.176 6.659 1.00 61.23 C ATOM 584 CD1 TRP A 600 5.088 -6.490 6.141 1.00 64.21 C ATOM 585 CD2 TRP A 600 6.298 -6.616 8.022 1.00 4.21 C ATOM 586 NE1 TRP A 600 4.314 -7.099 7.100 1.00 32.41 N ATOM 587 CE2 TRP A 600 5.034 -7.189 8.261 1.00 52.43 C ATOM 588 CE3 TRP A 600 7.232 -6.584 9.062 1.00 1.54 C ATOM 589 CZ2 TRP A 600 4.682 -7.723 9.499 1.00 0.23 C ATOM 590 CZ3 TRP A 600 6.880 -7.114 10.288 1.00 62.14 C ATOM 591 CH2 TRP A 600 5.614 -7.678 10.498 1.00 21.31 C ATOM 0 H TRP A 600 7.714 -7.920 5.498 1.00 31.15 H new ATOM 0 HA TRP A 600 6.885 -5.725 3.882 1.00 71.32 H new ATOM 0 HB2 TRP A 600 8.354 -5.613 6.535 1.00 72.41 H new ATOM 0 HB3 TRP A 600 7.237 -4.434 5.877 1.00 72.41 H new ATOM 0 HD1 TRP A 600 4.774 -6.289 5.127 1.00 64.21 H new ATOM 0 HE1 TRP A 600 3.358 -7.430 6.968 1.00 32.41 H new ATOM 0 HE3 TRP A 600 8.210 -6.153 8.910 1.00 1.54 H new ATOM 0 HZ2 TRP A 600 3.707 -8.157 9.663 1.00 0.23 H new ATOM 0 HZ3 TRP A 600 7.593 -7.094 11.099 1.00 62.14 H new ATOM 0 HH2 TRP A 600 5.370 -8.085 11.468 1.00 21.31 H new ATOM 601 N ARG A 601 10.111 -6.121 4.428 1.00 32.53 N ATOM 602 CA ARG A 601 11.435 -5.704 3.982 1.00 55.24 C ATOM 603 C ARG A 601 11.512 -5.675 2.458 1.00 4.22 C ATOM 604 O ARG A 601 12.047 -4.735 1.871 1.00 62.15 O ATOM 605 CB ARG A 601 12.505 -6.645 4.539 1.00 70.14 C ATOM 606 CG ARG A 601 12.264 -8.107 4.204 1.00 22.32 C ATOM 607 CD ARG A 601 12.928 -9.028 5.215 1.00 40.43 C ATOM 608 NE ARG A 601 14.381 -9.040 5.073 1.00 62.51 N ATOM 609 CZ ARG A 601 15.207 -9.505 6.004 1.00 62.21 C ATOM 610 NH1 ARG A 601 14.725 -9.995 7.137 1.00 42.34 N ATOM 611 NH2 ARG A 601 16.518 -9.483 5.801 1.00 52.31 N ATOM 0 H ARG A 601 10.114 -6.899 5.088 1.00 32.53 H new ATOM 0 HA ARG A 601 11.616 -4.697 4.357 1.00 55.24 H new ATOM 0 HB2 ARG A 601 13.478 -6.347 4.148 1.00 70.14 H new ATOM 0 HB3 ARG A 601 12.548 -6.532 5.622 1.00 70.14 H new ATOM 0 HG2 ARG A 601 11.192 -8.304 4.180 1.00 22.32 H new ATOM 0 HG3 ARG A 601 12.650 -8.321 3.207 1.00 22.32 H new ATOM 0 HD2 ARG A 601 12.665 -8.709 6.223 1.00 40.43 H new ATOM 0 HD3 ARG A 601 12.543 -10.040 5.091 1.00 40.43 H new ATOM 0 HE ARG A 601 14.784 -8.671 4.212 1.00 62.51 H new ATOM 0 HH11 ARG A 601 13.718 -10.016 7.296 1.00 42.34 H new ATOM 0 HH12 ARG A 601 15.361 -10.351 7.850 1.00 42.34 H new ATOM 0 HH21 ARG A 601 16.893 -9.109 4.929 1.00 52.31 H new ATOM 0 HH22 ARG A 601 17.151 -9.840 6.517 1.00 52.31 H new ATOM 622 N ASP A 602 10.973 -6.711 1.825 1.00 62.41 N ATOM 623 CA ASP A 602 10.980 -6.805 0.370 1.00 33.44 C ATOM 624 C ASP A 602 10.087 -5.734 -0.248 1.00 43.10 C ATOM 625 O ASP A 602 10.416 -5.159 -1.286 1.00 42.12 O ATOM 626 CB ASP A 602 10.516 -8.193 -0.076 1.00 62.24 C ATOM 627 CG ASP A 602 11.448 -9.293 0.394 1.00 1.04 C ATOM 628 OD1 ASP A 602 11.311 -9.732 1.554 1.00 42.15 O ATOM 629 OD2 ASP A 602 12.316 -9.715 -0.401 1.00 44.52 O ATOM 0 H ASP A 602 10.526 -7.497 2.296 1.00 62.41 H new ATOM 0 HA ASP A 602 12.002 -6.644 0.026 1.00 33.44 H new ATOM 0 HB2 ASP A 602 9.514 -8.380 0.311 1.00 62.24 H new ATOM 0 HB3 ASP A 602 10.448 -8.218 -1.164 1.00 62.24 H new ATOM 633 N VAL A 603 8.954 -5.472 0.396 1.00 44.54 N ATOM 634 CA VAL A 603 8.013 -4.470 -0.089 1.00 3.43 C ATOM 635 C VAL A 603 8.669 -3.098 -0.183 1.00 60.54 C ATOM 636 O VAL A 603 8.420 -2.340 -1.120 1.00 12.20 O ATOM 637 CB VAL A 603 6.776 -4.374 0.823 1.00 45.33 C ATOM 638 CG1 VAL A 603 5.934 -3.161 0.455 1.00 71.13 C ATOM 639 CG2 VAL A 603 5.952 -5.650 0.739 1.00 43.33 C ATOM 0 H VAL A 603 8.666 -5.940 1.255 1.00 44.54 H new ATOM 0 HA VAL A 603 7.699 -4.787 -1.083 1.00 3.43 H new ATOM 0 HB VAL A 603 7.114 -4.254 1.852 1.00 45.33 H new ATOM 0 HG11 VAL A 603 5.064 -3.110 1.110 1.00 71.13 H new ATOM 0 HG12 VAL A 603 6.530 -2.256 0.571 1.00 71.13 H new ATOM 0 HG13 VAL A 603 5.604 -3.248 -0.580 1.00 71.13 H new ATOM 0 HG21 VAL A 603 5.082 -5.565 1.390 1.00 43.33 H new ATOM 0 HG22 VAL A 603 5.623 -5.804 -0.289 1.00 43.33 H new ATOM 0 HG23 VAL A 603 6.560 -6.497 1.056 1.00 43.33 H new ATOM 649 N LYS A 604 9.513 -2.784 0.795 1.00 43.22 N ATOM 650 CA LYS A 604 10.209 -1.503 0.824 1.00 62.45 C ATOM 651 C LYS A 604 11.292 -1.449 -0.248 1.00 61.03 C ATOM 652 O LYS A 604 11.526 -0.404 -0.854 1.00 73.20 O ATOM 653 CB LYS A 604 10.830 -1.268 2.203 1.00 5.51 C ATOM 654 CG LYS A 604 11.110 0.195 2.503 1.00 2.02 C ATOM 655 CD LYS A 604 9.904 0.877 3.127 1.00 42.21 C ATOM 656 CE LYS A 604 10.164 2.356 3.369 1.00 62.00 C ATOM 657 NZ LYS A 604 9.006 3.022 4.028 1.00 12.33 N ATOM 0 H LYS A 604 9.731 -3.400 1.578 1.00 43.22 H new ATOM 0 HA LYS A 604 9.481 -0.717 0.621 1.00 62.45 H new ATOM 0 HB2 LYS A 604 10.161 -1.665 2.966 1.00 5.51 H new ATOM 0 HB3 LYS A 604 11.762 -1.829 2.273 1.00 5.51 H new ATOM 0 HG2 LYS A 604 11.962 0.272 3.178 1.00 2.02 H new ATOM 0 HG3 LYS A 604 11.385 0.710 1.582 1.00 2.02 H new ATOM 0 HD2 LYS A 604 9.040 0.761 2.473 1.00 42.21 H new ATOM 0 HD3 LYS A 604 9.657 0.391 4.071 1.00 42.21 H new ATOM 0 HE2 LYS A 604 11.052 2.472 3.991 1.00 62.00 H new ATOM 0 HE3 LYS A 604 10.374 2.848 2.419 1.00 62.00 H new ATOM 0 HZ1 LYS A 604 9.353 3.706 4.730 1.00 12.33 H new ATOM 0 HZ2 LYS A 604 8.438 3.518 3.312 1.00 12.33 H new ATOM 0 HZ3 LYS A 604 8.418 2.307 4.502 1.00 12.33 H new ATOM 667 N MET A 605 11.949 -2.581 -0.478 1.00 51.10 N ATOM 668 CA MET A 605 13.005 -2.661 -1.480 1.00 61.12 C ATOM 669 C MET A 605 12.423 -2.627 -2.888 1.00 15.55 C ATOM 670 O MET A 605 13.024 -2.068 -3.806 1.00 54.25 O ATOM 671 CB MET A 605 13.826 -3.939 -1.286 1.00 11.42 C ATOM 672 CG MET A 605 14.674 -3.931 -0.025 1.00 12.40 C ATOM 673 SD MET A 605 16.105 -5.021 -0.144 1.00 50.40 S ATOM 674 CE MET A 605 16.518 -5.228 1.587 1.00 10.23 C ATOM 0 H MET A 605 11.769 -3.455 0.016 1.00 51.10 H new ATOM 0 HA MET A 605 13.656 -1.796 -1.354 1.00 61.12 H new ATOM 0 HB2 MET A 605 13.150 -4.794 -1.254 1.00 11.42 H new ATOM 0 HB3 MET A 605 14.476 -4.078 -2.150 1.00 11.42 H new ATOM 0 HG2 MET A 605 15.012 -2.914 0.174 1.00 12.40 H new ATOM 0 HG3 MET A 605 14.060 -4.235 0.823 1.00 12.40 H new ATOM 0 HE1 MET A 605 17.387 -5.880 1.678 1.00 10.23 H new ATOM 0 HE2 MET A 605 16.746 -4.256 2.025 1.00 10.23 H new ATOM 0 HE3 MET A 605 15.673 -5.674 2.112 1.00 10.23 H new ATOM 682 N ARG A 606 11.248 -3.228 -3.054 1.00 54.35 N ATOM 683 CA ARG A 606 10.585 -3.265 -4.351 1.00 20.44 C ATOM 684 C ARG A 606 9.844 -1.959 -4.623 1.00 22.00 C ATOM 685 O ARG A 606 9.854 -1.450 -5.743 1.00 41.01 O ATOM 686 CB ARG A 606 9.609 -4.441 -4.415 1.00 40.11 C ATOM 687 CG ARG A 606 8.740 -4.445 -5.662 1.00 63.11 C ATOM 688 CD ARG A 606 8.146 -5.820 -5.923 1.00 25.31 C ATOM 689 NE ARG A 606 9.179 -6.844 -6.070 1.00 54.34 N ATOM 690 CZ ARG A 606 9.942 -6.967 -7.149 1.00 73.10 C ATOM 691 NH1 ARG A 606 9.791 -6.135 -8.171 1.00 65.10 N ATOM 692 NH2 ARG A 606 10.861 -7.923 -7.209 1.00 52.54 N ATOM 0 H ARG A 606 10.737 -3.696 -2.306 1.00 54.35 H new ATOM 0 HA ARG A 606 11.350 -3.394 -5.117 1.00 20.44 H new ATOM 0 HB2 ARG A 606 10.173 -5.373 -4.373 1.00 40.11 H new ATOM 0 HB3 ARG A 606 8.966 -4.417 -3.535 1.00 40.11 H new ATOM 0 HG2 ARG A 606 7.937 -3.716 -5.550 1.00 63.11 H new ATOM 0 HG3 ARG A 606 9.334 -4.135 -6.522 1.00 63.11 H new ATOM 0 HD2 ARG A 606 7.482 -6.090 -5.102 1.00 25.31 H new ATOM 0 HD3 ARG A 606 7.538 -5.786 -6.827 1.00 25.31 H new ATOM 0 HE ARG A 606 9.321 -7.500 -5.302 1.00 54.34 H new ATOM 0 HH11 ARG A 606 9.087 -5.398 -8.129 1.00 65.10 H new ATOM 0 HH12 ARG A 606 10.379 -6.232 -8.999 1.00 65.10 H new ATOM 0 HH21 ARG A 606 10.982 -8.564 -6.425 1.00 52.54 H new ATOM 0 HH22 ARG A 606 11.447 -8.016 -8.039 1.00 52.54 H new ATOM 703 N ALA A 607 9.203 -1.424 -3.589 1.00 13.54 N ATOM 704 CA ALA A 607 8.457 -0.177 -3.715 1.00 25.22 C ATOM 705 C ALA A 607 9.391 1.027 -3.674 1.00 71.54 C ATOM 706 O ALA A 607 9.552 1.736 -4.667 1.00 43.20 O ATOM 707 CB ALA A 607 7.411 -0.075 -2.616 1.00 60.32 C ATOM 0 H ALA A 607 9.185 -1.834 -2.655 1.00 13.54 H new ATOM 0 HA ALA A 607 7.953 -0.179 -4.681 1.00 25.22 H new ATOM 0 HB1 ALA A 607 6.862 0.860 -2.722 1.00 60.32 H new ATOM 0 HB2 ALA A 607 6.719 -0.913 -2.694 1.00 60.32 H new ATOM 0 HB3 ALA A 607 7.902 -0.099 -1.643 1.00 60.32 H new ATOM 713 N PHE A 608 10.007 1.253 -2.517 1.00 31.22 N ATOM 714 CA PHE A 608 10.924 2.373 -2.345 1.00 0.05 C ATOM 715 C PHE A 608 12.288 2.057 -2.951 1.00 20.33 C ATOM 716 O PHE A 608 12.906 1.043 -2.624 1.00 1.54 O ATOM 717 CB PHE A 608 11.080 2.709 -0.861 1.00 53.33 C ATOM 718 CG PHE A 608 9.801 3.156 -0.211 1.00 52.32 C ATOM 719 CD1 PHE A 608 8.825 2.235 0.133 1.00 3.22 C ATOM 720 CD2 PHE A 608 9.575 4.497 0.056 1.00 13.21 C ATOM 721 CE1 PHE A 608 7.648 2.643 0.732 1.00 45.14 C ATOM 722 CE2 PHE A 608 8.400 4.910 0.654 1.00 61.40 C ATOM 723 CZ PHE A 608 7.435 3.982 0.992 1.00 4.12 C ATOM 0 H PHE A 608 9.887 0.675 -1.685 1.00 31.22 H new ATOM 0 HA PHE A 608 10.505 3.235 -2.864 1.00 0.05 H new ATOM 0 HB2 PHE A 608 11.458 1.832 -0.336 1.00 53.33 H new ATOM 0 HB3 PHE A 608 11.828 3.494 -0.751 1.00 53.33 H new ATOM 0 HD1 PHE A 608 8.986 1.186 -0.069 1.00 3.22 H new ATOM 0 HD2 PHE A 608 10.326 5.228 -0.206 1.00 13.21 H new ATOM 0 HE1 PHE A 608 6.896 1.915 0.996 1.00 45.14 H new ATOM 0 HE2 PHE A 608 8.236 5.958 0.857 1.00 61.40 H new ATOM 0 HZ PHE A 608 6.516 4.303 1.459 1.00 4.12 H new ATOM 828 N TYR A 616 10.971 -1.127 8.054 1.00 73.42 N ATOM 829 CA TYR A 616 9.924 -1.915 7.417 1.00 44.15 C ATOM 830 C TYR A 616 8.557 -1.584 8.010 1.00 65.23 C ATOM 831 O TYR A 616 7.521 -1.881 7.415 1.00 51.44 O ATOM 832 CB TYR A 616 10.212 -3.409 7.576 1.00 71.22 C ATOM 833 CG TYR A 616 10.567 -3.810 8.990 1.00 44.12 C ATOM 834 CD1 TYR A 616 9.576 -4.080 9.926 1.00 71.13 C ATOM 835 CD2 TYR A 616 11.893 -3.921 9.390 1.00 44.22 C ATOM 836 CE1 TYR A 616 9.896 -4.446 11.219 1.00 23.21 C ATOM 837 CE2 TYR A 616 12.222 -4.288 10.681 1.00 33.35 C ATOM 838 CZ TYR A 616 11.220 -4.549 11.592 1.00 53.21 C ATOM 839 OH TYR A 616 11.543 -4.915 12.879 1.00 10.42 O ATOM 0 HA TYR A 616 9.911 -1.665 6.356 1.00 44.15 H new ATOM 0 HB2 TYR A 616 9.337 -3.975 7.255 1.00 71.22 H new ATOM 0 HB3 TYR A 616 11.031 -3.685 6.912 1.00 71.22 H new ATOM 0 HD1 TYR A 616 8.538 -4.002 9.638 1.00 71.13 H new ATOM 0 HD2 TYR A 616 12.680 -3.717 8.679 1.00 44.22 H new ATOM 0 HE1 TYR A 616 9.113 -4.651 11.934 1.00 23.21 H new ATOM 0 HE2 TYR A 616 13.258 -4.370 10.975 1.00 33.35 H new ATOM 0 HH TYR A 616 12.518 -4.942 12.977 1.00 10.42 H new ATOM 848 N VAL A 617 8.564 -0.968 9.188 1.00 3.52 N ATOM 849 CA VAL A 617 7.327 -0.594 9.862 1.00 50.44 C ATOM 850 C VAL A 617 6.626 0.546 9.132 1.00 71.22 C ATOM 851 O VAL A 617 5.397 0.617 9.104 1.00 41.04 O ATOM 852 CB VAL A 617 7.587 -0.173 11.320 1.00 70.34 C ATOM 853 CG1 VAL A 617 8.499 1.044 11.370 1.00 11.35 C ATOM 854 CG2 VAL A 617 6.274 0.106 12.037 1.00 24.13 C ATOM 0 H VAL A 617 9.413 -0.718 9.695 1.00 3.52 H new ATOM 0 HA VAL A 617 6.685 -1.475 9.855 1.00 50.44 H new ATOM 0 HB VAL A 617 8.087 -0.994 11.833 1.00 70.34 H new ATOM 0 HG11 VAL A 617 8.671 1.327 12.408 1.00 11.35 H new ATOM 0 HG12 VAL A 617 9.451 0.805 10.896 1.00 11.35 H new ATOM 0 HG13 VAL A 617 8.029 1.873 10.841 1.00 11.35 H new ATOM 0 HG21 VAL A 617 6.477 0.402 13.066 1.00 24.13 H new ATOM 0 HG22 VAL A 617 5.744 0.910 11.526 1.00 24.13 H new ATOM 0 HG23 VAL A 617 5.659 -0.794 12.033 1.00 24.13 H new ATOM 864 N ASP A 618 7.415 1.437 8.542 1.00 71.40 N ATOM 865 CA ASP A 618 6.871 2.574 7.810 1.00 72.20 C ATOM 866 C ASP A 618 5.841 2.117 6.782 1.00 30.30 C ATOM 867 O ASP A 618 4.728 2.641 6.726 1.00 14.35 O ATOM 868 CB ASP A 618 7.994 3.346 7.115 1.00 62.35 C ATOM 869 CG ASP A 618 8.310 4.657 7.808 1.00 75.35 C ATOM 870 OD1 ASP A 618 8.149 4.729 9.044 1.00 63.34 O ATOM 871 OD2 ASP A 618 8.717 5.613 7.114 1.00 3.21 O ATOM 0 H ASP A 618 8.434 1.394 8.557 1.00 71.40 H new ATOM 0 HA ASP A 618 6.377 3.231 8.526 1.00 72.20 H new ATOM 0 HB2 ASP A 618 8.892 2.728 7.086 1.00 62.35 H new ATOM 0 HB3 ASP A 618 7.709 3.544 6.082 1.00 62.35 H new ATOM 875 N LEU A 619 6.219 1.136 5.969 1.00 74.02 N ATOM 876 CA LEU A 619 5.329 0.608 4.942 1.00 11.52 C ATOM 877 C LEU A 619 4.180 -0.177 5.567 1.00 20.31 C ATOM 878 O LEU A 619 3.105 -0.299 4.980 1.00 2.13 O ATOM 879 CB LEU A 619 6.108 -0.288 3.976 1.00 13.43 C ATOM 880 CG LEU A 619 6.367 -1.718 4.448 1.00 5.11 C ATOM 881 CD1 LEU A 619 5.379 -2.679 3.805 1.00 24.32 C ATOM 882 CD2 LEU A 619 7.797 -2.132 4.134 1.00 65.01 C ATOM 0 H LEU A 619 7.136 0.691 6.002 1.00 74.02 H new ATOM 0 HA LEU A 619 4.911 1.450 4.391 1.00 11.52 H new ATOM 0 HB2 LEU A 619 5.563 -0.331 3.033 1.00 13.43 H new ATOM 0 HB3 LEU A 619 7.068 0.184 3.768 1.00 13.43 H new ATOM 0 HG LEU A 619 6.228 -1.755 5.528 1.00 5.11 H new ATOM 0 HD11 LEU A 619 5.579 -3.693 4.153 1.00 24.32 H new ATOM 0 HD12 LEU A 619 4.363 -2.394 4.080 1.00 24.32 H new ATOM 0 HD13 LEU A 619 5.486 -2.640 2.721 1.00 24.32 H new ATOM 0 HD21 LEU A 619 7.964 -3.153 4.477 1.00 65.01 H new ATOM 0 HD22 LEU A 619 7.963 -2.079 3.058 1.00 65.01 H new ATOM 0 HD23 LEU A 619 8.490 -1.461 4.642 1.00 65.01 H new ATOM 893 N LYS A 620 4.415 -0.707 6.763 1.00 33.22 N ATOM 894 CA LYS A 620 3.401 -1.477 7.472 1.00 4.55 C ATOM 895 C LYS A 620 2.271 -0.574 7.957 1.00 12.24 C ATOM 896 O LYS A 620 1.104 -0.963 7.945 1.00 43.33 O ATOM 897 CB LYS A 620 4.026 -2.212 8.659 1.00 45.22 C ATOM 898 CG LYS A 620 3.095 -3.222 9.307 1.00 41.54 C ATOM 899 CD LYS A 620 2.629 -4.271 8.312 1.00 24.34 C ATOM 900 CE LYS A 620 1.895 -5.409 9.004 1.00 43.34 C ATOM 901 NZ LYS A 620 0.999 -6.143 8.067 1.00 74.00 N ATOM 0 H LYS A 620 5.300 -0.617 7.262 1.00 33.22 H new ATOM 0 HA LYS A 620 2.986 -2.208 6.778 1.00 4.55 H new ATOM 0 HB2 LYS A 620 4.928 -2.724 8.324 1.00 45.22 H new ATOM 0 HB3 LYS A 620 4.333 -1.481 9.407 1.00 45.22 H new ATOM 0 HG2 LYS A 620 3.607 -3.709 10.137 1.00 41.54 H new ATOM 0 HG3 LYS A 620 2.230 -2.706 9.724 1.00 41.54 H new ATOM 0 HD2 LYS A 620 1.973 -3.808 7.575 1.00 24.34 H new ATOM 0 HD3 LYS A 620 3.488 -4.667 7.770 1.00 24.34 H new ATOM 0 HE2 LYS A 620 2.620 -6.102 9.431 1.00 43.34 H new ATOM 0 HE3 LYS A 620 1.308 -5.012 9.832 1.00 43.34 H new ATOM 0 HZ1 LYS A 620 0.517 -6.911 8.577 1.00 74.00 H new ATOM 0 HZ2 LYS A 620 0.291 -5.488 7.679 1.00 74.00 H new ATOM 0 HZ3 LYS A 620 1.562 -6.544 7.290 1.00 74.00 H new ATOM 911 N ASP A 621 2.627 0.634 8.380 1.00 52.42 N ATOM 912 CA ASP A 621 1.642 1.594 8.867 1.00 33.33 C ATOM 913 C ASP A 621 0.800 2.138 7.717 1.00 42.21 C ATOM 914 O ASP A 621 -0.421 2.248 7.826 1.00 63.11 O ATOM 915 CB ASP A 621 2.339 2.745 9.595 1.00 2.05 C ATOM 916 CG ASP A 621 3.096 2.279 10.823 1.00 54.52 C ATOM 917 OD1 ASP A 621 2.466 1.667 11.712 1.00 32.05 O ATOM 918 OD2 ASP A 621 4.317 2.528 10.897 1.00 1.34 O ATOM 0 H ASP A 621 3.589 0.972 8.396 1.00 52.42 H new ATOM 0 HA ASP A 621 0.982 1.079 9.565 1.00 33.33 H new ATOM 0 HB2 ASP A 621 3.030 3.238 8.911 1.00 2.05 H new ATOM 0 HB3 ASP A 621 1.597 3.487 9.889 1.00 2.05 H new ATOM 922 N LYS A 622 1.460 2.480 6.616 1.00 24.33 N ATOM 923 CA LYS A 622 0.773 3.012 5.446 1.00 34.40 C ATOM 924 C LYS A 622 -0.261 2.020 4.923 1.00 75.10 C ATOM 925 O LYS A 622 -1.355 2.408 4.515 1.00 12.02 O ATOM 926 CB LYS A 622 1.782 3.341 4.343 1.00 72.12 C ATOM 927 CG LYS A 622 2.185 4.806 4.305 1.00 25.05 C ATOM 928 CD LYS A 622 2.920 5.215 5.570 1.00 22.23 C ATOM 929 CE LYS A 622 1.995 5.920 6.549 1.00 0.22 C ATOM 930 NZ LYS A 622 2.743 6.811 7.477 1.00 64.41 N ATOM 0 H LYS A 622 2.471 2.398 6.510 1.00 24.33 H new ATOM 0 HA LYS A 622 0.257 3.925 5.743 1.00 34.40 H new ATOM 0 HB2 LYS A 622 2.674 2.731 4.484 1.00 72.12 H new ATOM 0 HB3 LYS A 622 1.356 3.065 3.378 1.00 72.12 H new ATOM 0 HG2 LYS A 622 2.821 4.987 3.439 1.00 25.05 H new ATOM 0 HG3 LYS A 622 1.297 5.426 4.183 1.00 25.05 H new ATOM 0 HD2 LYS A 622 3.349 4.332 6.044 1.00 22.23 H new ATOM 0 HD3 LYS A 622 3.750 5.874 5.313 1.00 22.23 H new ATOM 0 HE2 LYS A 622 1.260 6.506 5.997 1.00 0.22 H new ATOM 0 HE3 LYS A 622 1.443 5.178 7.125 1.00 0.22 H new ATOM 0 HZ1 LYS A 622 2.076 7.273 8.128 1.00 64.41 H new ATOM 0 HZ2 LYS A 622 3.426 6.248 8.023 1.00 64.41 H new ATOM 0 HZ3 LYS A 622 3.250 7.535 6.930 1.00 64.41 H new ATOM 940 N TRP A 623 0.093 0.740 4.940 1.00 40.43 N ATOM 941 CA TRP A 623 -0.807 -0.307 4.469 1.00 61.41 C ATOM 942 C TRP A 623 -1.984 -0.482 5.421 1.00 3.12 C ATOM 943 O TRP A 623 -3.135 -0.566 4.992 1.00 75.03 O ATOM 944 CB TRP A 623 -0.051 -1.629 4.324 1.00 71.52 C ATOM 945 CG TRP A 623 -0.953 -2.815 4.162 1.00 53.24 C ATOM 946 CD1 TRP A 623 -1.530 -3.547 5.160 1.00 3.01 C ATOM 947 CD2 TRP A 623 -1.381 -3.405 2.929 1.00 63.32 C ATOM 948 NE1 TRP A 623 -2.290 -4.558 4.622 1.00 0.43 N ATOM 949 CE2 TRP A 623 -2.216 -4.491 3.255 1.00 65.52 C ATOM 950 CE3 TRP A 623 -1.141 -3.120 1.583 1.00 32.23 C ATOM 951 CZ2 TRP A 623 -2.809 -5.292 2.283 1.00 53.20 C ATOM 952 CZ3 TRP A 623 -1.730 -3.916 0.619 1.00 53.21 C ATOM 953 CH2 TRP A 623 -2.556 -4.990 0.972 1.00 12.21 C ATOM 0 H TRP A 623 0.996 0.402 5.274 1.00 40.43 H new ATOM 0 HA TRP A 623 -1.194 -0.008 3.495 1.00 61.41 H new ATOM 0 HB2 TRP A 623 0.613 -1.567 3.462 1.00 71.52 H new ATOM 0 HB3 TRP A 623 0.578 -1.777 5.202 1.00 71.52 H new ATOM 0 HD1 TRP A 623 -1.407 -3.359 6.216 1.00 3.01 H new ATOM 0 HE1 TRP A 623 -2.823 -5.246 5.154 1.00 0.43 H new ATOM 0 HE3 TRP A 623 -0.507 -2.293 1.301 1.00 32.23 H new ATOM 0 HZ2 TRP A 623 -3.446 -6.122 2.553 1.00 53.20 H new ATOM 0 HZ3 TRP A 623 -1.550 -3.706 -0.425 1.00 53.21 H new ATOM 0 HH2 TRP A 623 -3.002 -5.592 0.195 1.00 12.21 H new ATOM 963 N LYS A 624 -1.690 -0.538 6.715 1.00 71.14 N ATOM 964 CA LYS A 624 -2.724 -0.701 7.730 1.00 22.01 C ATOM 965 C LYS A 624 -3.856 0.299 7.519 1.00 13.22 C ATOM 966 O LYS A 624 -5.032 -0.067 7.524 1.00 65.42 O ATOM 967 CB LYS A 624 -2.128 -0.527 9.129 1.00 14.42 C ATOM 968 CG LYS A 624 -2.984 -1.122 10.233 1.00 40.25 C ATOM 969 CD LYS A 624 -3.065 -0.198 11.436 1.00 61.20 C ATOM 970 CE LYS A 624 -4.503 0.195 11.742 1.00 63.34 C ATOM 971 NZ LYS A 624 -4.816 1.569 11.264 1.00 55.35 N ATOM 0 H LYS A 624 -0.742 -0.473 7.086 1.00 71.14 H new ATOM 0 HA LYS A 624 -3.131 -1.708 7.639 1.00 22.01 H new ATOM 0 HB2 LYS A 624 -1.142 -0.991 9.155 1.00 14.42 H new ATOM 0 HB3 LYS A 624 -1.985 0.536 9.324 1.00 14.42 H new ATOM 0 HG2 LYS A 624 -3.987 -1.314 9.853 1.00 40.25 H new ATOM 0 HG3 LYS A 624 -2.569 -2.083 10.538 1.00 40.25 H new ATOM 0 HD2 LYS A 624 -2.629 -0.691 12.305 1.00 61.20 H new ATOM 0 HD3 LYS A 624 -2.474 0.698 11.248 1.00 61.20 H new ATOM 0 HE2 LYS A 624 -5.182 -0.516 11.272 1.00 63.34 H new ATOM 0 HE3 LYS A 624 -4.675 0.137 12.817 1.00 63.34 H new ATOM 0 HZ1 LYS A 624 -5.782 1.825 11.551 1.00 55.35 H new ATOM 0 HZ2 LYS A 624 -4.142 2.243 11.679 1.00 55.35 H new ATOM 0 HZ3 LYS A 624 -4.743 1.601 10.227 1.00 55.35 H new ATOM 981 N THR A 625 -3.495 1.565 7.331 1.00 22.45 N ATOM 982 CA THR A 625 -4.479 2.617 7.117 1.00 72.13 C ATOM 983 C THR A 625 -5.104 2.513 5.731 1.00 63.41 C ATOM 984 O THR A 625 -6.248 2.919 5.522 1.00 71.23 O ATOM 985 CB THR A 625 -3.852 4.015 7.282 1.00 62.53 C ATOM 986 OG1 THR A 625 -4.864 5.021 7.174 1.00 74.33 O ATOM 987 CG2 THR A 625 -2.778 4.253 6.231 1.00 50.11 C ATOM 0 H THR A 625 -2.527 1.886 7.323 1.00 22.45 H new ATOM 0 HA THR A 625 -5.254 2.483 7.872 1.00 72.13 H new ATOM 0 HB THR A 625 -3.391 4.069 8.268 1.00 62.53 H new ATOM 0 HG1 THR A 625 -4.458 5.906 7.281 1.00 74.33 H new ATOM 0 HG21 THR A 625 -2.350 5.246 6.367 1.00 50.11 H new ATOM 0 HG22 THR A 625 -1.995 3.502 6.335 1.00 50.11 H new ATOM 0 HG23 THR A 625 -3.219 4.181 5.237 1.00 50.11 H new ATOM 995 N LEU A 626 -4.347 1.966 4.786 1.00 11.23 N ATOM 996 CA LEU A 626 -4.827 1.808 3.418 1.00 24.05 C ATOM 997 C LEU A 626 -6.018 0.856 3.366 1.00 3.43 C ATOM 998 O LEU A 626 -7.087 1.208 2.865 1.00 52.14 O ATOM 999 CB LEU A 626 -3.704 1.288 2.519 1.00 41.54 C ATOM 1000 CG LEU A 626 -3.497 2.038 1.202 1.00 65.25 C ATOM 1001 CD1 LEU A 626 -2.370 1.404 0.400 1.00 13.43 C ATOM 1002 CD2 LEU A 626 -4.785 2.059 0.392 1.00 25.22 C ATOM 0 H LEU A 626 -3.399 1.625 4.942 1.00 11.23 H new ATOM 0 HA LEU A 626 -5.150 2.785 3.057 1.00 24.05 H new ATOM 0 HB2 LEU A 626 -2.771 1.319 3.082 1.00 41.54 H new ATOM 0 HB3 LEU A 626 -3.904 0.241 2.290 1.00 41.54 H new ATOM 0 HG LEU A 626 -3.219 3.067 1.431 1.00 65.25 H new ATOM 0 HD11 LEU A 626 -2.236 1.950 -0.534 1.00 13.43 H new ATOM 0 HD12 LEU A 626 -1.446 1.442 0.978 1.00 13.43 H new ATOM 0 HD13 LEU A 626 -2.619 0.366 0.181 1.00 13.43 H new ATOM 0 HD21 LEU A 626 -4.619 2.597 -0.542 1.00 25.22 H new ATOM 0 HD22 LEU A 626 -5.093 1.037 0.172 1.00 25.22 H new ATOM 0 HD23 LEU A 626 -5.567 2.559 0.964 1.00 25.22 H new ATOM 1013 N VAL A 627 -5.827 -0.352 3.887 1.00 74.21 N ATOM 1014 CA VAL A 627 -6.886 -1.354 3.904 1.00 10.24 C ATOM 1015 C VAL A 627 -8.104 -0.854 4.670 1.00 53.42 C ATOM 1016 O VAL A 627 -9.240 -1.006 4.220 1.00 11.41 O ATOM 1017 CB VAL A 627 -6.401 -2.672 4.536 1.00 11.45 C ATOM 1018 CG1 VAL A 627 -5.809 -2.418 5.913 1.00 52.14 C ATOM 1019 CG2 VAL A 627 -7.542 -3.676 4.613 1.00 71.30 C ATOM 0 H VAL A 627 -4.948 -0.660 4.303 1.00 74.21 H new ATOM 0 HA VAL A 627 -7.164 -1.538 2.866 1.00 10.24 H new ATOM 0 HB VAL A 627 -5.619 -3.093 3.904 1.00 11.45 H new ATOM 0 HG11 VAL A 627 -5.472 -3.361 6.344 1.00 52.14 H new ATOM 0 HG12 VAL A 627 -4.963 -1.736 5.825 1.00 52.14 H new ATOM 0 HG13 VAL A 627 -6.567 -1.975 6.559 1.00 52.14 H new ATOM 0 HG21 VAL A 627 -7.182 -4.602 5.062 1.00 71.30 H new ATOM 0 HG22 VAL A 627 -8.347 -3.266 5.223 1.00 71.30 H new ATOM 0 HG23 VAL A 627 -7.915 -3.880 3.609 1.00 71.30 H new ATOM 1029 N HIS A 628 -7.862 -0.254 5.831 1.00 73.43 N ATOM 1030 CA HIS A 628 -8.940 0.271 6.662 1.00 32.11 C ATOM 1031 C HIS A 628 -9.728 1.343 5.914 1.00 45.15 C ATOM 1032 O HIS A 628 -10.911 1.556 6.179 1.00 54.42 O ATOM 1033 CB HIS A 628 -8.377 0.848 7.961 1.00 20.23 C ATOM 1034 CG HIS A 628 -8.272 -0.156 9.067 1.00 24.04 C ATOM 1035 ND1 HIS A 628 -8.613 -1.466 9.108 1.00 62.12 N flip ATOM 1036 CD2 HIS A 628 -7.768 0.146 10.313 1.00 71.20 C flip ATOM 1037 CE1 HIS A 628 -8.309 -1.927 10.366 1.00 25.41 C flip ATOM 1038 NE2 HIS A 628 -7.801 -0.933 11.074 1.00 55.41 N flip ATOM 0 H HIS A 628 -6.928 -0.119 6.218 1.00 73.43 H new ATOM 0 HA HIS A 628 -9.615 -0.551 6.902 1.00 32.11 H new ATOM 0 HB2 HIS A 628 -7.389 1.265 7.765 1.00 20.23 H new ATOM 0 HB3 HIS A 628 -9.012 1.671 8.288 1.00 20.23 H new ATOM 0 HD2 HIS A 628 -7.403 1.115 10.620 1.00 71.20 H new ATOM 0 HE1 HIS A 628 -8.460 -2.936 10.719 1.00 25.41 H new ATOM 0 HE2 HIS A 628 -7.488 -0.990 12.043 1.00 55.41 H new ATOM 1045 N THR A 629 -9.064 2.015 4.979 1.00 70.24 N ATOM 1046 CA THR A 629 -9.701 3.066 4.195 1.00 71.15 C ATOM 1047 C THR A 629 -10.615 2.477 3.128 1.00 1.23 C ATOM 1048 O THR A 629 -11.608 3.092 2.739 1.00 1.02 O ATOM 1049 CB THR A 629 -8.657 3.973 3.519 1.00 33.20 C ATOM 1050 OG1 THR A 629 -8.039 4.822 4.494 1.00 4.13 O ATOM 1051 CG2 THR A 629 -9.301 4.824 2.434 1.00 33.31 C ATOM 0 H THR A 629 -8.085 1.850 4.746 1.00 70.24 H new ATOM 0 HA THR A 629 -10.294 3.663 4.888 1.00 71.15 H new ATOM 0 HB THR A 629 -7.900 3.338 3.060 1.00 33.20 H new ATOM 0 HG1 THR A 629 -7.344 4.321 4.970 1.00 4.13 H new ATOM 0 HG21 THR A 629 -8.544 5.457 1.971 1.00 33.31 H new ATOM 0 HG22 THR A 629 -9.744 4.176 1.678 1.00 33.31 H new ATOM 0 HG23 THR A 629 -10.077 5.450 2.875 1.00 33.31 H new ATOM 1059 N ALA A 630 -10.274 1.281 2.656 1.00 74.23 N ATOM 1060 CA ALA A 630 -11.066 0.609 1.635 1.00 22.15 C ATOM 1061 C ALA A 630 -12.531 0.516 2.048 1.00 22.02 C ATOM 1062 O ALA A 630 -13.426 0.857 1.276 1.00 20.12 O ATOM 1063 CB ALA A 630 -10.504 -0.778 1.360 1.00 33.11 C ATOM 0 H ALA A 630 -9.454 0.759 2.965 1.00 74.23 H new ATOM 0 HA ALA A 630 -11.011 1.200 0.721 1.00 22.15 H new ATOM 0 HB1 ALA A 630 -11.105 -1.269 0.595 1.00 33.11 H new ATOM 0 HB2 ALA A 630 -9.475 -0.691 1.012 1.00 33.11 H new ATOM 0 HB3 ALA A 630 -10.529 -1.369 2.276 1.00 33.11 H new ATOM 1069 N SER A 631 -12.767 0.051 3.271 1.00 52.40 N ATOM 1070 CA SER A 631 -14.124 -0.090 3.785 1.00 3.01 C ATOM 1071 C SER A 631 -14.128 -0.860 5.102 1.00 44.34 C ATOM 1072 O SER A 631 -14.610 -1.991 5.171 1.00 70.42 O ATOM 1073 CB SER A 631 -15.008 -0.806 2.761 1.00 31.00 C ATOM 1074 OG SER A 631 -15.766 0.123 2.005 1.00 35.13 O ATOM 0 H SER A 631 -12.037 -0.234 3.923 1.00 52.40 H new ATOM 0 HA SER A 631 -14.524 0.908 3.965 1.00 3.01 H new ATOM 0 HB2 SER A 631 -14.387 -1.402 2.093 1.00 31.00 H new ATOM 0 HB3 SER A 631 -15.678 -1.496 3.274 1.00 31.00 H new ATOM 0 HG SER A 631 -15.188 0.554 1.342 1.00 35.13 H new ATOM 1079 N ILE A 632 -13.588 -0.239 6.145 1.00 73.44 N ATOM 1080 CA ILE A 632 -13.529 -0.864 7.460 1.00 55.34 C ATOM 1081 C ILE A 632 -14.051 0.078 8.540 1.00 52.41 C ATOM 1082 O ILE A 632 -15.168 -0.082 9.032 1.00 63.41 O ATOM 1083 CB ILE A 632 -12.093 -1.291 7.817 1.00 54.34 C ATOM 1084 CG1 ILE A 632 -11.688 -2.522 7.005 1.00 61.14 C ATOM 1085 CG2 ILE A 632 -11.980 -1.572 9.309 1.00 34.14 C ATOM 1086 CD1 ILE A 632 -11.420 -2.223 5.548 1.00 13.24 C ATOM 0 H ILE A 632 -13.185 0.697 6.105 1.00 73.44 H new ATOM 0 HA ILE A 632 -14.162 -1.750 7.417 1.00 55.34 H new ATOM 0 HB ILE A 632 -11.414 -0.476 7.568 1.00 54.34 H new ATOM 0 HG12 ILE A 632 -10.794 -2.961 7.448 1.00 61.14 H new ATOM 0 HG13 ILE A 632 -12.478 -3.269 7.075 1.00 61.14 H new ATOM 0 HG21 ILE A 632 -10.960 -1.873 9.546 1.00 34.14 H new ATOM 0 HG22 ILE A 632 -12.233 -0.672 9.869 1.00 34.14 H new ATOM 0 HG23 ILE A 632 -12.667 -2.373 9.581 1.00 34.14 H new ATOM 0 HD11 ILE A 632 -11.138 -3.142 5.034 1.00 13.24 H new ATOM 0 HD12 ILE A 632 -12.319 -1.812 5.090 1.00 13.24 H new ATOM 0 HD13 ILE A 632 -10.609 -1.499 5.468 1.00 13.24 H new ATOM 1097 N ALA A 633 -13.235 1.063 8.904 1.00 1.34 N ATOM 1098 CA ALA A 633 -13.615 2.034 9.922 1.00 44.25 C ATOM 1099 C ALA A 633 -14.003 3.367 9.293 1.00 14.22 C ATOM 1100 O ALA A 633 -13.331 3.876 8.395 1.00 63.04 O ATOM 1101 CB ALA A 633 -12.480 2.227 10.916 1.00 41.11 C ATOM 0 H ALA A 633 -12.306 1.209 8.508 1.00 1.34 H new ATOM 0 HA ALA A 633 -14.485 1.646 10.451 1.00 44.25 H new ATOM 0 HB1 ALA A 633 -12.777 2.955 11.671 1.00 41.11 H new ATOM 0 HB2 ALA A 633 -12.253 1.276 11.398 1.00 41.11 H new ATOM 0 HB3 ALA A 633 -11.595 2.588 10.392 1.00 41.11 H new ATOM 1210 N PRO A 641 -8.681 12.006 -1.462 1.00 60.34 N ATOM 1211 CA PRO A 641 -9.193 11.170 -2.552 1.00 33.21 C ATOM 1212 C PRO A 641 -8.300 9.965 -2.828 1.00 32.31 C ATOM 1213 O PRO A 641 -7.115 10.114 -3.128 1.00 2.25 O ATOM 1214 CB PRO A 641 -9.196 12.119 -3.753 1.00 13.44 C ATOM 1215 CG PRO A 641 -8.155 13.135 -3.438 1.00 73.44 C ATOM 1216 CD PRO A 641 -8.181 13.305 -1.944 1.00 51.34 C ATOM 0 HA PRO A 641 -10.172 10.750 -2.319 1.00 33.21 H new ATOM 0 HB2 PRO A 641 -8.964 11.589 -4.677 1.00 13.44 H new ATOM 0 HB3 PRO A 641 -10.173 12.583 -3.888 1.00 13.44 H new ATOM 0 HG2 PRO A 641 -7.173 12.805 -3.776 1.00 73.44 H new ATOM 0 HG3 PRO A 641 -8.365 14.078 -3.942 1.00 73.44 H new ATOM 0 HD2 PRO A 641 -7.190 13.527 -1.547 1.00 51.34 H new ATOM 0 HD3 PRO A 641 -8.835 14.124 -1.644 1.00 51.34 H new ATOM 1221 N VAL A 642 -8.875 8.772 -2.725 1.00 61.25 N ATOM 1222 CA VAL A 642 -8.131 7.541 -2.964 1.00 51.42 C ATOM 1223 C VAL A 642 -8.759 6.731 -4.093 1.00 71.32 C ATOM 1224 O VAL A 642 -9.980 6.630 -4.213 1.00 51.12 O ATOM 1225 CB VAL A 642 -8.066 6.669 -1.696 1.00 1.43 C ATOM 1226 CG1 VAL A 642 -7.528 7.473 -0.522 1.00 3.11 C ATOM 1227 CG2 VAL A 642 -9.437 6.092 -1.375 1.00 61.21 C ATOM 0 H VAL A 642 -9.854 8.631 -2.477 1.00 61.25 H new ATOM 0 HA VAL A 642 -7.120 7.832 -3.248 1.00 51.42 H new ATOM 0 HB VAL A 642 -7.383 5.840 -1.881 1.00 1.43 H new ATOM 0 HG11 VAL A 642 -7.489 6.840 0.365 1.00 3.11 H new ATOM 0 HG12 VAL A 642 -6.526 7.832 -0.756 1.00 3.11 H new ATOM 0 HG13 VAL A 642 -8.183 8.323 -0.333 1.00 3.11 H new ATOM 0 HG21 VAL A 642 -9.372 5.479 -0.476 1.00 61.21 H new ATOM 0 HG22 VAL A 642 -10.144 6.905 -1.210 1.00 61.21 H new ATOM 0 HG23 VAL A 642 -9.778 5.479 -2.209 1.00 61.21 H new ATOM 1237 N PRO A 643 -7.905 6.139 -4.941 1.00 5.31 N ATOM 1238 CA PRO A 643 -8.354 5.325 -6.075 1.00 33.44 C ATOM 1239 C PRO A 643 -8.982 4.008 -5.632 1.00 34.44 C ATOM 1240 O PRO A 643 -8.394 3.264 -4.847 1.00 2.34 O ATOM 1241 CB PRO A 643 -7.064 5.067 -6.858 1.00 44.11 C ATOM 1242 CG PRO A 643 -5.977 5.180 -5.845 1.00 2.52 C ATOM 1243 CD PRO A 643 -6.437 6.216 -4.858 1.00 50.41 C ATOM 0 HA PRO A 643 -9.128 5.826 -6.656 1.00 33.44 H new ATOM 0 HB2 PRO A 643 -7.073 4.080 -7.321 1.00 44.11 H new ATOM 0 HB3 PRO A 643 -6.935 5.794 -7.660 1.00 44.11 H new ATOM 0 HG2 PRO A 643 -5.801 4.223 -5.353 1.00 2.52 H new ATOM 0 HG3 PRO A 643 -5.038 5.476 -6.312 1.00 2.52 H new ATOM 0 HD2 PRO A 643 -6.080 5.999 -3.851 1.00 50.41 H new ATOM 0 HD3 PRO A 643 -6.071 7.209 -5.118 1.00 50.41 H new ATOM 1248 N GLN A 644 -10.177 3.727 -6.141 1.00 63.01 N ATOM 1249 CA GLN A 644 -10.883 2.498 -5.796 1.00 32.51 C ATOM 1250 C GLN A 644 -10.103 1.273 -6.263 1.00 11.01 C ATOM 1251 O GLN A 644 -10.357 0.156 -5.812 1.00 21.13 O ATOM 1252 CB GLN A 644 -12.280 2.496 -6.420 1.00 74.43 C ATOM 1253 CG GLN A 644 -13.097 1.261 -6.078 1.00 22.32 C ATOM 1254 CD GLN A 644 -14.590 1.513 -6.139 1.00 14.51 C ATOM 1255 OE1 GLN A 644 -15.174 1.595 -7.221 1.00 34.01 O ATOM 1256 NE2 GLN A 644 -15.218 1.638 -4.976 1.00 34.13 N ATOM 0 H GLN A 644 -10.676 4.332 -6.793 1.00 63.01 H new ATOM 0 HA GLN A 644 -10.977 2.454 -4.711 1.00 32.51 H new ATOM 0 HB2 GLN A 644 -12.819 3.382 -6.086 1.00 74.43 H new ATOM 0 HB3 GLN A 644 -12.185 2.570 -7.503 1.00 74.43 H new ATOM 0 HG2 GLN A 644 -12.840 0.457 -6.768 1.00 22.32 H new ATOM 0 HG3 GLN A 644 -12.831 0.920 -5.078 1.00 22.32 H new ATOM 0 HE21 GLN A 644 -14.695 1.563 -4.103 1.00 34.13 H new ATOM 0 HE22 GLN A 644 -16.223 1.809 -4.955 1.00 34.13 H new ATOM 1263 N ASP A 645 -9.155 1.490 -7.167 1.00 50.32 N ATOM 1264 CA ASP A 645 -8.338 0.404 -7.694 1.00 61.24 C ATOM 1265 C ASP A 645 -7.379 -0.120 -6.630 1.00 44.14 C ATOM 1266 O ASP A 645 -7.148 -1.326 -6.527 1.00 33.31 O ATOM 1267 CB ASP A 645 -7.552 0.877 -8.918 1.00 24.52 C ATOM 1268 CG ASP A 645 -7.277 -0.247 -9.898 1.00 11.34 C ATOM 1269 OD1 ASP A 645 -8.238 -0.947 -10.282 1.00 20.41 O ATOM 1270 OD2 ASP A 645 -6.102 -0.427 -10.282 1.00 55.21 O ATOM 0 H ASP A 645 -8.933 2.409 -7.550 1.00 50.32 H new ATOM 0 HA ASP A 645 -9.003 -0.408 -7.990 1.00 61.24 H new ATOM 0 HB2 ASP A 645 -8.110 1.666 -9.422 1.00 24.52 H new ATOM 0 HB3 ASP A 645 -6.607 1.312 -8.594 1.00 24.52 H new ATOM 1274 N LEU A 646 -6.823 0.792 -5.839 1.00 13.15 N ATOM 1275 CA LEU A 646 -5.888 0.422 -4.783 1.00 50.14 C ATOM 1276 C LEU A 646 -6.623 -0.194 -3.597 1.00 70.10 C ATOM 1277 O LEU A 646 -6.280 -1.285 -3.138 1.00 72.41 O ATOM 1278 CB LEU A 646 -5.095 1.647 -4.325 1.00 61.01 C ATOM 1279 CG LEU A 646 -4.155 2.264 -5.363 1.00 41.22 C ATOM 1280 CD1 LEU A 646 -3.333 3.381 -4.740 1.00 50.30 C ATOM 1281 CD2 LEU A 646 -3.247 1.199 -5.959 1.00 72.44 C ATOM 0 H LEU A 646 -7.004 1.793 -5.910 1.00 13.15 H new ATOM 0 HA LEU A 646 -5.199 -0.320 -5.185 1.00 50.14 H new ATOM 0 HB2 LEU A 646 -5.801 2.412 -4.003 1.00 61.01 H new ATOM 0 HB3 LEU A 646 -4.506 1.368 -3.451 1.00 61.01 H new ATOM 0 HG LEU A 646 -4.758 2.689 -6.165 1.00 41.22 H new ATOM 0 HD11 LEU A 646 -2.670 3.808 -5.493 1.00 50.30 H new ATOM 0 HD12 LEU A 646 -4.000 4.156 -4.362 1.00 50.30 H new ATOM 0 HD13 LEU A 646 -2.739 2.981 -3.918 1.00 50.30 H new ATOM 0 HD21 LEU A 646 -2.585 1.655 -6.695 1.00 72.44 H new ATOM 0 HD22 LEU A 646 -2.651 0.745 -5.168 1.00 72.44 H new ATOM 0 HD23 LEU A 646 -3.853 0.433 -6.442 1.00 72.44 H new ATOM 1292 N LEU A 647 -7.638 0.509 -3.106 1.00 10.20 N ATOM 1293 CA LEU A 647 -8.424 0.030 -1.975 1.00 43.04 C ATOM 1294 C LEU A 647 -8.914 -1.394 -2.215 1.00 35.14 C ATOM 1295 O LEU A 647 -9.011 -2.193 -1.283 1.00 1.55 O ATOM 1296 CB LEU A 647 -9.616 0.957 -1.728 1.00 72.10 C ATOM 1297 CG LEU A 647 -9.279 2.378 -1.278 1.00 40.41 C ATOM 1298 CD1 LEU A 647 -10.546 3.139 -0.918 1.00 23.22 C ATOM 1299 CD2 LEU A 647 -8.319 2.350 -0.097 1.00 54.22 C ATOM 0 H LEU A 647 -7.936 1.413 -3.474 1.00 10.20 H new ATOM 0 HA LEU A 647 -7.783 0.029 -1.094 1.00 43.04 H new ATOM 0 HB2 LEU A 647 -10.200 1.017 -2.646 1.00 72.10 H new ATOM 0 HB3 LEU A 647 -10.255 0.500 -0.973 1.00 72.10 H new ATOM 0 HG LEU A 647 -8.792 2.894 -2.105 1.00 40.41 H new ATOM 0 HD11 LEU A 647 -10.286 4.149 -0.600 1.00 23.22 H new ATOM 0 HD12 LEU A 647 -11.200 3.190 -1.789 1.00 23.22 H new ATOM 0 HD13 LEU A 647 -11.061 2.625 -0.107 1.00 23.22 H new ATOM 0 HD21 LEU A 647 -8.090 3.370 0.210 1.00 54.22 H new ATOM 0 HD22 LEU A 647 -8.780 1.816 0.734 1.00 54.22 H new ATOM 0 HD23 LEU A 647 -7.399 1.844 -0.388 1.00 54.22 H new ATOM 1310 N ASP A 648 -9.218 -1.705 -3.470 1.00 2.42 N ATOM 1311 CA ASP A 648 -9.695 -3.035 -3.835 1.00 62.34 C ATOM 1312 C ASP A 648 -8.564 -4.057 -3.759 1.00 34.11 C ATOM 1313 O ASP A 648 -8.731 -5.141 -3.199 1.00 32.42 O ATOM 1314 CB ASP A 648 -10.290 -3.018 -5.243 1.00 3.43 C ATOM 1315 CG ASP A 648 -11.803 -3.122 -5.233 1.00 21.20 C ATOM 1316 OD1 ASP A 648 -12.338 -3.907 -4.423 1.00 60.33 O ATOM 1317 OD2 ASP A 648 -12.451 -2.419 -6.036 1.00 42.12 O ATOM 0 H ASP A 648 -9.143 -1.055 -4.252 1.00 2.42 H new ATOM 0 HA ASP A 648 -10.470 -3.324 -3.125 1.00 62.34 H new ATOM 0 HB2 ASP A 648 -9.995 -2.098 -5.748 1.00 3.43 H new ATOM 0 HB3 ASP A 648 -9.876 -3.845 -5.820 1.00 3.43 H new ATOM 1321 N ARG A 649 -7.415 -3.704 -4.326 1.00 13.23 N ATOM 1322 CA ARG A 649 -6.258 -4.590 -4.325 1.00 3.01 C ATOM 1323 C ARG A 649 -5.746 -4.814 -2.906 1.00 43.11 C ATOM 1324 O ARG A 649 -5.287 -5.904 -2.564 1.00 23.15 O ATOM 1325 CB ARG A 649 -5.142 -4.010 -5.195 1.00 13.25 C ATOM 1326 CG ARG A 649 -5.493 -3.947 -6.673 1.00 53.31 C ATOM 1327 CD ARG A 649 -5.304 -5.295 -7.348 1.00 1.44 C ATOM 1328 NE ARG A 649 -6.017 -5.376 -8.621 1.00 13.30 N ATOM 1329 CZ ARG A 649 -7.339 -5.471 -8.717 1.00 35.34 C ATOM 1330 NH1 ARG A 649 -8.087 -5.497 -7.623 1.00 74.50 N ATOM 1331 NH2 ARG A 649 -7.915 -5.539 -9.911 1.00 32.33 N ATOM 0 H ARG A 649 -7.261 -2.810 -4.792 1.00 13.23 H new ATOM 0 HA ARG A 649 -6.568 -5.550 -4.737 1.00 3.01 H new ATOM 0 HB2 ARG A 649 -4.903 -3.006 -4.844 1.00 13.25 H new ATOM 0 HB3 ARG A 649 -4.243 -4.614 -5.069 1.00 13.25 H new ATOM 0 HG2 ARG A 649 -6.527 -3.623 -6.789 1.00 53.31 H new ATOM 0 HG3 ARG A 649 -4.868 -3.202 -7.165 1.00 53.31 H new ATOM 0 HD2 ARG A 649 -4.241 -5.470 -7.516 1.00 1.44 H new ATOM 0 HD3 ARG A 649 -5.656 -6.085 -6.685 1.00 1.44 H new ATOM 0 HE ARG A 649 -5.471 -5.359 -9.482 1.00 13.30 H new ATOM 0 HH11 ARG A 649 -7.648 -5.444 -6.704 1.00 74.50 H new ATOM 0 HH12 ARG A 649 -9.101 -5.570 -7.700 1.00 74.50 H new ATOM 0 HH21 ARG A 649 -7.343 -5.518 -10.755 1.00 32.33 H new ATOM 0 HH22 ARG A 649 -8.930 -5.612 -9.984 1.00 32.33 H new ATOM 1342 N VAL A 650 -5.827 -3.775 -2.081 1.00 15.52 N ATOM 1343 CA VAL A 650 -5.373 -3.857 -0.699 1.00 44.34 C ATOM 1344 C VAL A 650 -6.205 -4.859 0.094 1.00 60.22 C ATOM 1345 O VAL A 650 -5.665 -5.755 0.745 1.00 34.10 O ATOM 1346 CB VAL A 650 -5.441 -2.486 -0.002 1.00 34.22 C ATOM 1347 CG1 VAL A 650 -5.003 -2.601 1.449 1.00 63.45 C ATOM 1348 CG2 VAL A 650 -4.589 -1.468 -0.746 1.00 72.21 C ATOM 0 H VAL A 650 -6.204 -2.865 -2.347 1.00 15.52 H new ATOM 0 HA VAL A 650 -4.336 -4.190 -0.727 1.00 44.34 H new ATOM 0 HB VAL A 650 -6.475 -2.142 -0.017 1.00 34.22 H new ATOM 0 HG11 VAL A 650 -5.058 -1.622 1.924 1.00 63.45 H new ATOM 0 HG12 VAL A 650 -5.659 -3.296 1.973 1.00 63.45 H new ATOM 0 HG13 VAL A 650 -3.977 -2.968 1.492 1.00 63.45 H new ATOM 0 HG21 VAL A 650 -4.648 -0.504 -0.240 1.00 72.21 H new ATOM 0 HG22 VAL A 650 -3.553 -1.805 -0.764 1.00 72.21 H new ATOM 0 HG23 VAL A 650 -4.955 -1.364 -1.768 1.00 72.21 H new ATOM 1358 N LEU A 651 -7.523 -4.703 0.035 1.00 72.25 N ATOM 1359 CA LEU A 651 -8.432 -5.595 0.748 1.00 33.34 C ATOM 1360 C LEU A 651 -8.287 -7.030 0.251 1.00 72.31 C ATOM 1361 O LEU A 651 -8.555 -7.981 0.984 1.00 44.23 O ATOM 1362 CB LEU A 651 -9.877 -5.127 0.574 1.00 52.32 C ATOM 1363 CG LEU A 651 -10.392 -4.135 1.618 1.00 20.10 C ATOM 1364 CD1 LEU A 651 -11.802 -3.683 1.275 1.00 10.50 C ATOM 1365 CD2 LEU A 651 -10.352 -4.756 3.007 1.00 52.23 C ATOM 0 H LEU A 651 -7.986 -3.968 -0.499 1.00 72.25 H new ATOM 0 HA LEU A 651 -8.173 -5.568 1.806 1.00 33.34 H new ATOM 0 HB2 LEU A 651 -9.974 -4.670 -0.411 1.00 52.32 H new ATOM 0 HB3 LEU A 651 -10.525 -6.003 0.584 1.00 52.32 H new ATOM 0 HG LEU A 651 -9.741 -3.260 1.613 1.00 20.10 H new ATOM 0 HD11 LEU A 651 -12.152 -2.978 2.029 1.00 10.50 H new ATOM 0 HD12 LEU A 651 -11.802 -3.199 0.298 1.00 10.50 H new ATOM 0 HD13 LEU A 651 -12.466 -4.547 1.252 1.00 10.50 H new ATOM 0 HD21 LEU A 651 -10.722 -4.037 3.738 1.00 52.23 H new ATOM 0 HD22 LEU A 651 -10.979 -5.647 3.025 1.00 52.23 H new ATOM 0 HD23 LEU A 651 -9.326 -5.029 3.254 1.00 52.23 H new ATOM 1376 N ALA A 652 -7.857 -7.179 -0.998 1.00 54.31 N ATOM 1377 CA ALA A 652 -7.672 -8.497 -1.590 1.00 14.20 C ATOM 1378 C ALA A 652 -6.546 -9.258 -0.898 1.00 54.54 C ATOM 1379 O ALA A 652 -6.711 -10.414 -0.513 1.00 1.41 O ATOM 1380 CB ALA A 652 -7.387 -8.371 -3.080 1.00 50.31 C ATOM 0 H ALA A 652 -7.630 -6.402 -1.619 1.00 54.31 H new ATOM 0 HA ALA A 652 -8.594 -9.061 -1.453 1.00 14.20 H new ATOM 0 HB1 ALA A 652 -7.251 -9.363 -3.510 1.00 50.31 H new ATOM 0 HB2 ALA A 652 -8.225 -7.875 -3.570 1.00 50.31 H new ATOM 0 HB3 ALA A 652 -6.481 -7.784 -3.229 1.00 50.31 H new ATOM 1386 N ALA A 653 -5.401 -8.599 -0.743 1.00 42.53 N ATOM 1387 CA ALA A 653 -4.250 -9.213 -0.095 1.00 21.24 C ATOM 1388 C ALA A 653 -4.452 -9.305 1.413 1.00 73.53 C ATOM 1389 O ALA A 653 -4.155 -10.330 2.029 1.00 2.52 O ATOM 1390 CB ALA A 653 -2.985 -8.428 -0.413 1.00 31.13 C ATOM 0 H ALA A 653 -5.247 -7.641 -1.057 1.00 42.53 H new ATOM 0 HA ALA A 653 -4.144 -10.226 -0.483 1.00 21.24 H new ATOM 0 HB1 ALA A 653 -2.132 -8.898 0.078 1.00 31.13 H new ATOM 0 HB2 ALA A 653 -2.824 -8.419 -1.491 1.00 31.13 H new ATOM 0 HB3 ALA A 653 -3.092 -7.405 -0.054 1.00 31.13 H new ATOM 1396 N HIS A 654 -4.958 -8.227 2.005 1.00 50.31 N ATOM 1397 CA HIS A 654 -5.200 -8.187 3.443 1.00 23.33 C ATOM 1398 C HIS A 654 -6.137 -9.313 3.867 1.00 44.22 C ATOM 1399 O HIS A 654 -5.916 -9.967 4.886 1.00 64.11 O ATOM 1400 CB HIS A 654 -5.793 -6.836 3.844 1.00 21.12 C ATOM 1401 CG HIS A 654 -6.264 -6.787 5.264 1.00 53.43 C ATOM 1402 ND1 HIS A 654 -7.525 -7.188 5.652 1.00 1.10 N ATOM 1403 CD2 HIS A 654 -5.636 -6.382 6.393 1.00 0.54 C ATOM 1404 CE1 HIS A 654 -7.653 -7.030 6.958 1.00 64.23 C ATOM 1405 NE2 HIS A 654 -6.520 -6.543 7.431 1.00 1.44 N ATOM 0 H HIS A 654 -5.208 -7.370 1.511 1.00 50.31 H new ATOM 0 HA HIS A 654 -4.245 -8.322 3.951 1.00 23.33 H new ATOM 0 HB2 HIS A 654 -5.043 -6.060 3.692 1.00 21.12 H new ATOM 0 HB3 HIS A 654 -6.629 -6.605 3.184 1.00 21.12 H new ATOM 0 HD2 HIS A 654 -4.627 -6.003 6.464 1.00 0.54 H new ATOM 0 HE1 HIS A 654 -8.534 -7.260 7.539 1.00 64.23 H new ATOM 0 HE2 HIS A 654 -6.332 -6.322 8.409 1.00 1.44 H new ATOM 1412 N ALA A 655 -7.186 -9.532 3.081 1.00 5.05 N ATOM 1413 CA ALA A 655 -8.156 -10.580 3.375 1.00 52.14 C ATOM 1414 C ALA A 655 -7.609 -11.954 3.004 1.00 60.43 C ATOM 1415 O ALA A 655 -7.705 -12.902 3.784 1.00 51.12 O ATOM 1416 CB ALA A 655 -9.461 -10.313 2.639 1.00 64.35 C ATOM 0 H ALA A 655 -7.386 -8.998 2.236 1.00 5.05 H new ATOM 0 HA ALA A 655 -8.348 -10.572 4.448 1.00 52.14 H new ATOM 0 HB1 ALA A 655 -10.176 -11.103 2.868 1.00 64.35 H new ATOM 0 HB2 ALA A 655 -9.868 -9.353 2.956 1.00 64.35 H new ATOM 0 HB3 ALA A 655 -9.275 -10.291 1.565 1.00 64.35 H new ATOM 1422 N TYR A 656 -7.036 -12.056 1.810 1.00 42.44 N ATOM 1423 CA TYR A 656 -6.477 -13.316 1.336 1.00 30.23 C ATOM 1424 C TYR A 656 -5.432 -13.850 2.310 1.00 4.12 C ATOM 1425 O TYR A 656 -5.473 -15.015 2.704 1.00 25.13 O ATOM 1426 CB TYR A 656 -5.852 -13.131 -0.048 1.00 22.45 C ATOM 1427 CG TYR A 656 -5.066 -14.332 -0.523 1.00 61.44 C ATOM 1428 CD1 TYR A 656 -5.702 -15.530 -0.821 1.00 21.34 C ATOM 1429 CD2 TYR A 656 -3.686 -14.268 -0.673 1.00 34.41 C ATOM 1430 CE1 TYR A 656 -4.987 -16.630 -1.255 1.00 74.14 C ATOM 1431 CE2 TYR A 656 -2.963 -15.363 -1.107 1.00 74.22 C ATOM 1432 CZ TYR A 656 -3.617 -16.541 -1.396 1.00 50.11 C ATOM 1433 OH TYR A 656 -2.902 -17.634 -1.828 1.00 31.30 O ATOM 0 H TYR A 656 -6.947 -11.281 1.153 1.00 42.44 H new ATOM 0 HA TYR A 656 -7.288 -14.041 1.268 1.00 30.23 H new ATOM 0 HB2 TYR A 656 -6.642 -12.916 -0.768 1.00 22.45 H new ATOM 0 HB3 TYR A 656 -5.194 -12.262 -0.027 1.00 22.45 H new ATOM 0 HD1 TYR A 656 -6.774 -15.603 -0.712 1.00 21.34 H new ATOM 0 HD2 TYR A 656 -3.170 -13.347 -0.447 1.00 34.41 H new ATOM 0 HE1 TYR A 656 -5.497 -17.554 -1.483 1.00 74.14 H new ATOM 0 HE2 TYR A 656 -1.891 -15.296 -1.219 1.00 74.22 H new ATOM 0 HH TYR A 656 -1.950 -17.405 -1.875 1.00 31.30 H new ATOM 1442 N TRP A 657 -4.498 -12.988 2.696 1.00 64.10 N ATOM 1443 CA TRP A 657 -3.442 -13.372 3.627 1.00 20.05 C ATOM 1444 C TRP A 657 -4.000 -13.577 5.030 1.00 43.43 C ATOM 1445 O TRP A 657 -3.487 -14.388 5.801 1.00 30.21 O ATOM 1446 CB TRP A 657 -2.345 -12.308 3.651 1.00 75.25 C ATOM 1447 CG TRP A 657 -1.496 -12.301 2.416 1.00 75.54 C ATOM 1448 CD1 TRP A 657 -1.377 -11.287 1.509 1.00 72.11 C ATOM 1449 CD2 TRP A 657 -0.649 -13.358 1.951 1.00 3.41 C ATOM 1450 NE1 TRP A 657 -0.507 -11.650 0.509 1.00 2.21 N ATOM 1451 CE2 TRP A 657 -0.047 -12.915 0.758 1.00 23.44 C ATOM 1452 CE3 TRP A 657 -0.341 -14.635 2.428 1.00 74.54 C ATOM 1453 CZ2 TRP A 657 0.843 -13.706 0.036 1.00 33.50 C ATOM 1454 CZ3 TRP A 657 0.544 -15.418 1.711 1.00 41.12 C ATOM 1455 CH2 TRP A 657 1.129 -14.952 0.527 1.00 12.53 C ATOM 0 H TRP A 657 -4.450 -12.020 2.379 1.00 64.10 H new ATOM 0 HA TRP A 657 -3.016 -14.316 3.286 1.00 20.05 H new ATOM 0 HB2 TRP A 657 -2.803 -11.327 3.773 1.00 75.25 H new ATOM 0 HB3 TRP A 657 -1.708 -12.473 4.520 1.00 75.25 H new ATOM 0 HD1 TRP A 657 -1.891 -10.339 1.569 1.00 72.11 H new ATOM 0 HE1 TRP A 657 -0.246 -11.071 -0.289 1.00 2.21 H new ATOM 0 HE3 TRP A 657 -0.786 -15.003 3.340 1.00 74.54 H new ATOM 0 HZ2 TRP A 657 1.292 -13.349 -0.879 1.00 33.50 H new ATOM 0 HZ3 TRP A 657 0.789 -16.407 2.070 1.00 41.12 H new ATOM 0 HH2 TRP A 657 1.819 -15.587 -0.009 1.00 12.53 H new ATOM 1465 N SER A 658 -5.057 -12.838 5.356 1.00 60.44 N ATOM 1466 CA SER A 658 -5.683 -12.937 6.669 1.00 74.31 C ATOM 1467 C SER A 658 -6.180 -14.355 6.928 1.00 45.24 C ATOM 1468 O SER A 658 -6.118 -14.850 8.054 1.00 33.43 O ATOM 1469 CB SER A 658 -6.844 -11.948 6.779 1.00 51.22 C ATOM 1470 OG SER A 658 -7.691 -12.275 7.867 1.00 72.00 O ATOM 0 H SER A 658 -5.497 -12.165 4.729 1.00 60.44 H new ATOM 0 HA SER A 658 -4.934 -12.691 7.422 1.00 74.31 H new ATOM 0 HB2 SER A 658 -6.455 -10.938 6.908 1.00 51.22 H new ATOM 0 HB3 SER A 658 -7.419 -11.952 5.853 1.00 51.22 H new ATOM 0 HG SER A 658 -8.424 -11.627 7.917 1.00 72.00 H new ATOM 1475 N GLN A 659 -6.675 -15.003 5.878 1.00 41.05 N ATOM 1476 CA GLN A 659 -7.184 -16.365 5.992 1.00 55.43 C ATOM 1477 C GLN A 659 -6.115 -17.303 6.542 1.00 53.55 C ATOM 1478 O GLN A 659 -6.427 -18.326 7.149 1.00 43.10 O ATOM 1479 CB GLN A 659 -7.668 -16.866 4.630 1.00 72.14 C ATOM 1480 CG GLN A 659 -8.037 -18.340 4.621 1.00 44.44 C ATOM 1481 CD GLN A 659 -8.847 -18.732 3.400 1.00 70.44 C ATOM 1482 OE1 GLN A 659 -8.657 -18.183 2.314 1.00 43.32 O ATOM 1483 NE2 GLN A 659 -9.755 -19.685 3.573 1.00 25.11 N ATOM 0 H GLN A 659 -6.734 -14.607 4.940 1.00 41.05 H new ATOM 0 HA GLN A 659 -8.023 -16.355 6.687 1.00 55.43 H new ATOM 0 HB2 GLN A 659 -8.535 -16.281 4.324 1.00 72.14 H new ATOM 0 HB3 GLN A 659 -6.888 -16.691 3.889 1.00 72.14 H new ATOM 0 HG2 GLN A 659 -7.127 -18.939 4.656 1.00 44.44 H new ATOM 0 HG3 GLN A 659 -8.607 -18.573 5.520 1.00 44.44 H new ATOM 0 HE21 GLN A 659 -9.878 -20.112 4.491 1.00 25.11 H new ATOM 0 HE22 GLN A 659 -10.330 -19.990 2.788 1.00 25.11 H new