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 654 HIS : no HD1:sc= -0.171 X(o=0.65,f=0.57) USER MOD Set 1.2: A 658 SER OG : rot 85:sc= 0.824 USER MOD Single : A 581 SER OG : rot 27:sc= 0.125 USER MOD Single : A 594 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.0072) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0.00236 USER MOD Single : A 604 LYS NZ :NH3+ -114:sc= 0 (180deg=-1.18) USER MOD Single : A 605 MET CE :methyl 162:sc= -0.186 (180deg=-0.893) USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ -119:sc= 0.648 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 624 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.171) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-2.7!) USER MOD Single : A 629 THR OG1 : rot 79:sc= 0.246 USER MOD Single : A 631 SER OG : rot -68:sc= 0.942 USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= -0.709 K(o=-0.71,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 0.744 9.832 -1.137 1.00 44.33 N ATOM 322 CA SER A 581 0.304 10.166 -2.486 1.00 1.34 C ATOM 323 C SER A 581 -0.066 8.907 -3.265 1.00 40.44 C ATOM 324 O SER A 581 0.375 7.806 -2.933 1.00 14.32 O ATOM 325 CB SER A 581 1.402 10.933 -3.228 1.00 41.44 C ATOM 326 OG SER A 581 1.814 12.072 -2.491 1.00 2.45 O ATOM 0 HA SER A 581 -0.581 10.797 -2.407 1.00 1.34 H new ATOM 0 HB2 SER A 581 2.256 10.278 -3.399 1.00 41.44 H new ATOM 0 HB3 SER A 581 1.036 11.242 -4.207 1.00 41.44 H new ATOM 0 HG SER A 581 1.658 11.917 -1.536 1.00 2.45 H new ATOM 331 N VAL A 582 -0.880 9.078 -4.302 1.00 3.30 N ATOM 332 CA VAL A 582 -1.309 7.957 -5.130 1.00 71.11 C ATOM 333 C VAL A 582 -0.116 7.140 -5.611 1.00 11.40 C ATOM 334 O VAL A 582 -0.225 5.933 -5.830 1.00 34.10 O ATOM 335 CB VAL A 582 -2.114 8.438 -6.351 1.00 11.10 C ATOM 336 CG1 VAL A 582 -2.518 7.258 -7.223 1.00 24.43 C ATOM 337 CG2 VAL A 582 -3.338 9.226 -5.907 1.00 40.33 C ATOM 0 H VAL A 582 -1.256 9.982 -4.589 1.00 3.30 H new ATOM 0 HA VAL A 582 -1.947 7.330 -4.507 1.00 71.11 H new ATOM 0 HB VAL A 582 -1.481 9.098 -6.944 1.00 11.10 H new ATOM 0 HG11 VAL A 582 -3.086 7.617 -8.081 1.00 24.43 H new ATOM 0 HG12 VAL A 582 -1.624 6.740 -7.571 1.00 24.43 H new ATOM 0 HG13 VAL A 582 -3.133 6.571 -6.643 1.00 24.43 H new ATOM 0 HG21 VAL A 582 -3.895 9.558 -6.783 1.00 40.33 H new ATOM 0 HG22 VAL A 582 -3.975 8.592 -5.291 1.00 40.33 H new ATOM 0 HG23 VAL A 582 -3.022 10.094 -5.328 1.00 40.33 H new ATOM 347 N ALA A 583 1.024 7.804 -5.772 1.00 75.23 N ATOM 348 CA ALA A 583 2.238 7.138 -6.225 1.00 64.52 C ATOM 349 C ALA A 583 2.774 6.189 -5.159 1.00 43.02 C ATOM 350 O ALA A 583 3.146 5.055 -5.455 1.00 12.12 O ATOM 351 CB ALA A 583 3.296 8.167 -6.598 1.00 55.11 C ATOM 0 H ALA A 583 1.132 8.803 -5.595 1.00 75.23 H new ATOM 0 HA ALA A 583 1.992 6.549 -7.108 1.00 64.52 H new ATOM 0 HB1 ALA A 583 4.198 7.656 -6.935 1.00 55.11 H new ATOM 0 HB2 ALA A 583 2.919 8.803 -7.399 1.00 55.11 H new ATOM 0 HB3 ALA A 583 3.530 8.780 -5.728 1.00 55.11 H new ATOM 357 N GLU A 584 2.811 6.662 -3.917 1.00 50.22 N ATOM 358 CA GLU A 584 3.304 5.854 -2.806 1.00 14.03 C ATOM 359 C GLU A 584 2.355 4.695 -2.515 1.00 62.24 C ATOM 360 O GLU A 584 2.767 3.535 -2.481 1.00 54.25 O ATOM 361 CB GLU A 584 3.472 6.717 -1.555 1.00 42.24 C ATOM 362 CG GLU A 584 4.369 7.925 -1.764 1.00 32.11 C ATOM 363 CD GLU A 584 5.758 7.728 -1.190 1.00 21.41 C ATOM 364 OE1 GLU A 584 6.473 6.821 -1.665 1.00 52.34 O ATOM 365 OE2 GLU A 584 6.130 8.481 -0.265 1.00 23.24 O ATOM 0 H GLU A 584 2.506 7.599 -3.655 1.00 50.22 H new ATOM 0 HA GLU A 584 4.274 5.445 -3.089 1.00 14.03 H new ATOM 0 HB2 GLU A 584 2.491 7.057 -1.224 1.00 42.24 H new ATOM 0 HB3 GLU A 584 3.884 6.104 -0.754 1.00 42.24 H new ATOM 0 HG2 GLU A 584 4.447 8.134 -2.831 1.00 32.11 H new ATOM 0 HG3 GLU A 584 3.909 8.798 -1.301 1.00 32.11 H new ATOM 370 N VAL A 585 1.083 5.018 -2.305 1.00 40.54 N ATOM 371 CA VAL A 585 0.075 4.005 -2.016 1.00 53.35 C ATOM 372 C VAL A 585 0.060 2.922 -3.090 1.00 51.23 C ATOM 373 O VAL A 585 -0.185 1.752 -2.801 1.00 45.32 O ATOM 374 CB VAL A 585 -1.331 4.625 -1.909 1.00 64.41 C ATOM 375 CG1 VAL A 585 -2.346 3.579 -1.477 1.00 13.41 C ATOM 376 CG2 VAL A 585 -1.322 5.802 -0.944 1.00 4.51 C ATOM 0 H VAL A 585 0.726 5.973 -2.330 1.00 40.54 H new ATOM 0 HA VAL A 585 0.341 3.559 -1.058 1.00 53.35 H new ATOM 0 HB VAL A 585 -1.622 4.993 -2.893 1.00 64.41 H new ATOM 0 HG11 VAL A 585 -3.333 4.037 -1.407 1.00 13.41 H new ATOM 0 HG12 VAL A 585 -2.371 2.772 -2.209 1.00 13.41 H new ATOM 0 HG13 VAL A 585 -2.063 3.177 -0.504 1.00 13.41 H new ATOM 0 HG21 VAL A 585 -2.323 6.228 -0.880 1.00 4.51 H new ATOM 0 HG22 VAL A 585 -1.009 5.461 0.043 1.00 4.51 H new ATOM 0 HG23 VAL A 585 -0.627 6.561 -1.302 1.00 4.51 H new ATOM 386 N GLU A 586 0.324 3.323 -4.329 1.00 32.14 N ATOM 387 CA GLU A 586 0.341 2.386 -5.447 1.00 33.14 C ATOM 388 C GLU A 586 1.422 1.327 -5.253 1.00 51.25 C ATOM 389 O GLU A 586 1.156 0.129 -5.345 1.00 15.33 O ATOM 390 CB GLU A 586 0.573 3.132 -6.763 1.00 24.12 C ATOM 391 CG GLU A 586 -0.711 3.535 -7.468 1.00 33.01 C ATOM 392 CD GLU A 586 -0.489 4.610 -8.515 1.00 70.20 C ATOM 393 OE1 GLU A 586 0.569 5.272 -8.471 1.00 30.41 O ATOM 394 OE2 GLU A 586 -1.373 4.788 -9.379 1.00 4.41 O ATOM 0 H GLU A 586 0.529 4.289 -4.584 1.00 32.14 H new ATOM 0 HA GLU A 586 -0.628 1.888 -5.485 1.00 33.14 H new ATOM 0 HB2 GLU A 586 1.165 4.026 -6.565 1.00 24.12 H new ATOM 0 HB3 GLU A 586 1.161 2.501 -7.430 1.00 24.12 H new ATOM 0 HG2 GLU A 586 -1.152 2.658 -7.941 1.00 33.01 H new ATOM 0 HG3 GLU A 586 -1.429 3.894 -6.730 1.00 33.01 H new ATOM 399 N ALA A 587 2.642 1.778 -4.984 1.00 64.13 N ATOM 400 CA ALA A 587 3.763 0.870 -4.775 1.00 3.43 C ATOM 401 C ALA A 587 3.559 0.023 -3.523 1.00 71.12 C ATOM 402 O ALA A 587 3.855 -1.172 -3.514 1.00 21.12 O ATOM 403 CB ALA A 587 5.065 1.652 -4.679 1.00 63.14 C ATOM 0 H ALA A 587 2.880 2.767 -4.906 1.00 64.13 H new ATOM 0 HA ALA A 587 3.818 0.198 -5.631 1.00 3.43 H new ATOM 0 HB1 ALA A 587 5.894 0.961 -4.523 1.00 63.14 H new ATOM 0 HB2 ALA A 587 5.225 2.207 -5.603 1.00 63.14 H new ATOM 0 HB3 ALA A 587 5.010 2.348 -3.842 1.00 63.14 H new ATOM 409 N LEU A 588 3.052 0.650 -2.467 1.00 74.22 N ATOM 410 CA LEU A 588 2.807 -0.046 -1.208 1.00 3.03 C ATOM 411 C LEU A 588 1.854 -1.219 -1.411 1.00 55.15 C ATOM 412 O LEU A 588 2.162 -2.354 -1.049 1.00 61.42 O ATOM 413 CB LEU A 588 2.233 0.921 -0.171 1.00 14.21 C ATOM 414 CG LEU A 588 2.540 0.596 1.291 1.00 75.42 C ATOM 415 CD1 LEU A 588 2.146 -0.837 1.613 1.00 63.05 C ATOM 416 CD2 LEU A 588 4.013 0.827 1.591 1.00 12.23 C ATOM 0 H LEU A 588 2.803 1.639 -2.457 1.00 74.22 H new ATOM 0 HA LEU A 588 3.758 -0.434 -0.845 1.00 3.03 H new ATOM 0 HB2 LEU A 588 2.611 1.920 -0.387 1.00 14.21 H new ATOM 0 HB3 LEU A 588 1.151 0.955 -0.295 1.00 14.21 H new ATOM 0 HG LEU A 588 1.953 1.263 1.923 1.00 75.42 H new ATOM 0 HD11 LEU A 588 2.372 -1.050 2.658 1.00 63.05 H new ATOM 0 HD12 LEU A 588 1.078 -0.969 1.438 1.00 63.05 H new ATOM 0 HD13 LEU A 588 2.705 -1.520 0.974 1.00 63.05 H new ATOM 0 HD21 LEU A 588 4.213 0.591 2.636 1.00 12.23 H new ATOM 0 HD22 LEU A 588 4.619 0.186 0.951 1.00 12.23 H new ATOM 0 HD23 LEU A 588 4.264 1.871 1.401 1.00 12.23 H new ATOM 427 N VAL A 589 0.692 -0.936 -1.994 1.00 2.22 N ATOM 428 CA VAL A 589 -0.307 -1.968 -2.248 1.00 65.11 C ATOM 429 C VAL A 589 0.197 -2.980 -3.272 1.00 33.23 C ATOM 430 O VAL A 589 0.204 -4.183 -3.018 1.00 24.12 O ATOM 431 CB VAL A 589 -1.628 -1.358 -2.752 1.00 62.02 C ATOM 432 CG1 VAL A 589 -2.661 -2.448 -2.994 1.00 22.52 C ATOM 433 CG2 VAL A 589 -2.150 -0.328 -1.761 1.00 54.42 C ATOM 0 H VAL A 589 0.420 -0.001 -2.299 1.00 2.22 H new ATOM 0 HA VAL A 589 -0.488 -2.474 -1.300 1.00 65.11 H new ATOM 0 HB VAL A 589 -1.438 -0.854 -3.700 1.00 62.02 H new ATOM 0 HG11 VAL A 589 -3.588 -1.998 -3.350 1.00 22.52 H new ATOM 0 HG12 VAL A 589 -2.285 -3.146 -3.743 1.00 22.52 H new ATOM 0 HG13 VAL A 589 -2.851 -2.982 -2.063 1.00 22.52 H new ATOM 0 HG21 VAL A 589 -3.084 0.093 -2.132 1.00 54.42 H new ATOM 0 HG22 VAL A 589 -2.326 -0.806 -0.797 1.00 54.42 H new ATOM 0 HG23 VAL A 589 -1.415 0.468 -1.642 1.00 54.42 H new ATOM 443 N GLU A 590 0.617 -2.481 -4.431 1.00 34.11 N ATOM 444 CA GLU A 590 1.121 -3.342 -5.494 1.00 53.31 C ATOM 445 C GLU A 590 2.185 -4.298 -4.962 1.00 61.22 C ATOM 446 O GLU A 590 2.149 -5.497 -5.233 1.00 42.34 O ATOM 447 CB GLU A 590 1.700 -2.499 -6.632 1.00 34.21 C ATOM 448 CG GLU A 590 0.641 -1.843 -7.503 1.00 4.55 C ATOM 449 CD GLU A 590 0.255 -2.698 -8.694 1.00 10.43 C ATOM 450 OE1 GLU A 590 0.374 -3.937 -8.598 1.00 0.24 O ATOM 451 OE2 GLU A 590 -0.166 -2.128 -9.723 1.00 11.30 O ATOM 0 H GLU A 590 0.618 -1.486 -4.657 1.00 34.11 H new ATOM 0 HA GLU A 590 0.287 -3.931 -5.876 1.00 53.31 H new ATOM 0 HB2 GLU A 590 2.342 -1.725 -6.210 1.00 34.21 H new ATOM 0 HB3 GLU A 590 2.331 -3.131 -7.256 1.00 34.21 H new ATOM 0 HG2 GLU A 590 -0.246 -1.642 -6.902 1.00 4.55 H new ATOM 0 HG3 GLU A 590 1.011 -0.880 -7.856 1.00 4.55 H new ATOM 456 N ALA A 591 3.132 -3.755 -4.203 1.00 24.34 N ATOM 457 CA ALA A 591 4.206 -4.558 -3.630 1.00 13.05 C ATOM 458 C ALA A 591 3.665 -5.546 -2.603 1.00 33.51 C ATOM 459 O ALA A 591 4.131 -6.681 -2.513 1.00 45.41 O ATOM 460 CB ALA A 591 5.259 -3.659 -2.999 1.00 15.21 C ATOM 0 H ALA A 591 3.177 -2.763 -3.971 1.00 24.34 H new ATOM 0 HA ALA A 591 4.668 -5.129 -4.435 1.00 13.05 H new ATOM 0 HB1 ALA A 591 6.054 -4.272 -2.575 1.00 15.21 H new ATOM 0 HB2 ALA A 591 5.676 -2.998 -3.759 1.00 15.21 H new ATOM 0 HB3 ALA A 591 4.802 -3.062 -2.210 1.00 15.21 H new ATOM 466 N VAL A 592 2.678 -5.106 -1.829 1.00 62.00 N ATOM 467 CA VAL A 592 2.073 -5.952 -0.807 1.00 53.05 C ATOM 468 C VAL A 592 1.260 -7.077 -1.436 1.00 51.23 C ATOM 469 O VAL A 592 1.088 -8.140 -0.840 1.00 5.40 O ATOM 470 CB VAL A 592 1.162 -5.137 0.129 1.00 74.03 C ATOM 471 CG1 VAL A 592 0.199 -6.053 0.869 1.00 60.54 C ATOM 472 CG2 VAL A 592 1.995 -4.324 1.109 1.00 71.22 C ATOM 0 H VAL A 592 2.280 -4.169 -1.890 1.00 62.00 H new ATOM 0 HA VAL A 592 2.890 -6.379 -0.225 1.00 53.05 H new ATOM 0 HB VAL A 592 0.576 -4.445 -0.476 1.00 74.03 H new ATOM 0 HG11 VAL A 592 -0.436 -5.459 1.526 1.00 60.54 H new ATOM 0 HG12 VAL A 592 -0.421 -6.587 0.149 1.00 60.54 H new ATOM 0 HG13 VAL A 592 0.764 -6.771 1.463 1.00 60.54 H new ATOM 0 HG21 VAL A 592 1.335 -3.754 1.763 1.00 71.22 H new ATOM 0 HG22 VAL A 592 2.609 -4.996 1.709 1.00 71.22 H new ATOM 0 HG23 VAL A 592 2.639 -3.639 0.558 1.00 71.22 H new ATOM 482 N GLU A 593 0.761 -6.836 -2.645 1.00 44.32 N ATOM 483 CA GLU A 593 -0.034 -7.831 -3.354 1.00 11.14 C ATOM 484 C GLU A 593 0.848 -8.959 -3.882 1.00 64.23 C ATOM 485 O GLU A 593 0.447 -10.123 -3.892 1.00 72.34 O ATOM 486 CB GLU A 593 -0.792 -7.178 -4.512 1.00 54.02 C ATOM 487 CG GLU A 593 -2.270 -6.964 -4.229 1.00 63.44 C ATOM 488 CD GLU A 593 -3.160 -7.868 -5.059 1.00 74.23 C ATOM 489 OE1 GLU A 593 -2.849 -8.075 -6.250 1.00 13.43 O ATOM 490 OE2 GLU A 593 -4.168 -8.367 -4.516 1.00 75.32 O ATOM 0 H GLU A 593 0.893 -5.961 -3.153 1.00 44.32 H new ATOM 0 HA GLU A 593 -0.751 -8.254 -2.650 1.00 11.14 H new ATOM 0 HB2 GLU A 593 -0.332 -6.217 -4.740 1.00 54.02 H new ATOM 0 HB3 GLU A 593 -0.687 -7.801 -5.401 1.00 54.02 H new ATOM 0 HG2 GLU A 593 -2.463 -7.142 -3.171 1.00 63.44 H new ATOM 0 HG3 GLU A 593 -2.527 -5.924 -4.429 1.00 63.44 H new ATOM 495 N HIS A 594 2.053 -8.605 -4.319 1.00 55.35 N ATOM 496 CA HIS A 594 2.993 -9.587 -4.847 1.00 11.12 C ATOM 497 C HIS A 594 3.801 -10.226 -3.722 1.00 14.01 C ATOM 498 O HIS A 594 3.942 -11.448 -3.663 1.00 43.33 O ATOM 499 CB HIS A 594 3.934 -8.930 -5.858 1.00 32.10 C ATOM 500 CG HIS A 594 4.547 -9.898 -6.822 1.00 1.50 C ATOM 501 ND1 HIS A 594 4.341 -9.836 -8.185 1.00 63.31 N ATOM 502 CD2 HIS A 594 5.366 -10.956 -6.615 1.00 11.35 C ATOM 503 CE1 HIS A 594 5.006 -10.814 -8.773 1.00 32.25 C ATOM 504 NE2 HIS A 594 5.636 -11.508 -7.843 1.00 31.03 N ATOM 0 H HIS A 594 2.401 -7.646 -4.318 1.00 55.35 H new ATOM 0 HA HIS A 594 2.421 -10.368 -5.348 1.00 11.12 H new ATOM 0 HB2 HIS A 594 3.383 -8.173 -6.417 1.00 32.10 H new ATOM 0 HB3 HIS A 594 4.729 -8.413 -5.320 1.00 32.10 H new ATOM 0 HD2 HIS A 594 5.738 -11.301 -5.662 1.00 11.35 H new ATOM 0 HE1 HIS A 594 5.030 -11.012 -9.834 1.00 32.25 H new ATOM 0 HE2 HIS A 594 6.227 -12.322 -8.010 1.00 31.03 H new ATOM 511 N LEU A 595 4.329 -9.393 -2.833 1.00 72.25 N ATOM 512 CA LEU A 595 5.124 -9.876 -1.709 1.00 15.43 C ATOM 513 C LEU A 595 4.227 -10.389 -0.588 1.00 75.43 C ATOM 514 O LEU A 595 4.640 -11.216 0.225 1.00 34.51 O ATOM 515 CB LEU A 595 6.031 -8.762 -1.184 1.00 24.12 C ATOM 516 CG LEU A 595 7.276 -8.460 -2.019 1.00 61.13 C ATOM 517 CD1 LEU A 595 8.061 -9.735 -2.286 1.00 31.03 C ATOM 518 CD2 LEU A 595 6.889 -7.784 -3.327 1.00 2.52 C ATOM 0 H LEU A 595 4.221 -8.379 -2.868 1.00 72.25 H new ATOM 0 HA LEU A 595 5.741 -10.702 -2.061 1.00 15.43 H new ATOM 0 HB2 LEU A 595 5.442 -7.849 -1.104 1.00 24.12 H new ATOM 0 HB3 LEU A 595 6.350 -9.025 -0.175 1.00 24.12 H new ATOM 0 HG LEU A 595 7.913 -7.778 -1.456 1.00 61.13 H new ATOM 0 HD11 LEU A 595 8.943 -9.501 -2.881 1.00 31.03 H new ATOM 0 HD12 LEU A 595 8.369 -10.178 -1.339 1.00 31.03 H new ATOM 0 HD13 LEU A 595 7.434 -10.442 -2.829 1.00 31.03 H new ATOM 0 HD21 LEU A 595 7.787 -7.576 -3.909 1.00 2.52 H new ATOM 0 HD22 LEU A 595 6.232 -8.442 -3.896 1.00 2.52 H new ATOM 0 HD23 LEU A 595 6.370 -6.849 -3.114 1.00 2.52 H new ATOM 529 N GLY A 596 2.993 -9.892 -0.550 1.00 50.33 N ATOM 530 CA GLY A 596 2.056 -10.313 0.475 1.00 52.03 C ATOM 531 C GLY A 596 2.239 -9.555 1.775 1.00 20.14 C ATOM 532 O GLY A 596 3.039 -8.621 1.852 1.00 14.05 O ATOM 0 H GLY A 596 2.627 -9.206 -1.210 1.00 50.33 H new ATOM 0 HA2 GLY A 596 1.038 -10.168 0.114 1.00 52.03 H new ATOM 0 HA3 GLY A 596 2.180 -11.380 0.660 1.00 52.03 H new ATOM 536 N THR A 597 1.497 -9.957 2.802 1.00 53.02 N ATOM 537 CA THR A 597 1.579 -9.308 4.105 1.00 22.35 C ATOM 538 C THR A 597 2.571 -10.024 5.014 1.00 20.11 C ATOM 539 O THR A 597 2.488 -9.928 6.237 1.00 40.35 O ATOM 540 CB THR A 597 0.204 -9.263 4.798 1.00 63.32 C ATOM 541 OG1 THR A 597 -0.516 -10.473 4.537 1.00 22.30 O ATOM 542 CG2 THR A 597 -0.607 -8.070 4.315 1.00 33.55 C ATOM 0 H THR A 597 0.832 -10.729 2.757 1.00 53.02 H new ATOM 0 HA THR A 597 1.922 -8.288 3.929 1.00 22.35 H new ATOM 0 HB THR A 597 0.366 -9.161 5.871 1.00 63.32 H new ATOM 0 HG1 THR A 597 -1.388 -10.437 4.982 1.00 22.30 H new ATOM 0 HG21 THR A 597 -1.574 -8.059 4.818 1.00 33.55 H new ATOM 0 HG22 THR A 597 -0.070 -7.149 4.542 1.00 33.55 H new ATOM 0 HG23 THR A 597 -0.759 -8.146 3.238 1.00 33.55 H new ATOM 550 N GLY A 598 3.511 -10.743 4.407 1.00 72.13 N ATOM 551 CA GLY A 598 4.506 -11.465 5.178 1.00 1.53 C ATOM 552 C GLY A 598 5.922 -11.051 4.829 1.00 63.24 C ATOM 553 O GLY A 598 6.866 -11.374 5.551 1.00 74.02 O ATOM 0 H GLY A 598 3.601 -10.838 3.395 1.00 72.13 H new ATOM 0 HA2 GLY A 598 4.332 -11.294 6.240 1.00 1.53 H new ATOM 0 HA3 GLY A 598 4.390 -12.535 5.004 1.00 1.53 H new ATOM 557 N ARG A 599 6.071 -10.336 3.720 1.00 73.41 N ATOM 558 CA ARG A 599 7.383 -9.879 3.275 1.00 50.53 C ATOM 559 C ARG A 599 7.432 -8.357 3.201 1.00 60.44 C ATOM 560 O ARG A 599 7.338 -7.774 2.120 1.00 21.02 O ATOM 561 CB ARG A 599 7.719 -10.479 1.909 1.00 12.14 C ATOM 562 CG ARG A 599 8.066 -11.957 1.960 1.00 44.54 C ATOM 563 CD ARG A 599 7.911 -12.614 0.598 1.00 13.10 C ATOM 564 NE ARG A 599 7.424 -13.988 0.705 1.00 24.40 N ATOM 565 CZ ARG A 599 7.437 -14.852 -0.304 1.00 71.11 C ATOM 566 NH1 ARG A 599 7.909 -14.488 -1.488 1.00 22.01 N ATOM 567 NH2 ARG A 599 6.977 -16.084 -0.128 1.00 12.33 N ATOM 0 H ARG A 599 5.300 -10.060 3.112 1.00 73.41 H new ATOM 0 HA ARG A 599 8.123 -10.213 4.002 1.00 50.53 H new ATOM 0 HB2 ARG A 599 6.870 -10.337 1.241 1.00 12.14 H new ATOM 0 HB3 ARG A 599 8.558 -9.932 1.478 1.00 12.14 H new ATOM 0 HG2 ARG A 599 9.091 -12.079 2.309 1.00 44.54 H new ATOM 0 HG3 ARG A 599 7.422 -12.458 2.682 1.00 44.54 H new ATOM 0 HD2 ARG A 599 7.219 -12.030 -0.009 1.00 13.10 H new ATOM 0 HD3 ARG A 599 8.871 -12.609 0.082 1.00 13.10 H new ATOM 0 HE ARG A 599 7.054 -14.300 1.603 1.00 24.40 H new ATOM 0 HH11 ARG A 599 8.264 -13.542 -1.627 1.00 22.01 H new ATOM 0 HH12 ARG A 599 7.917 -15.154 -2.260 1.00 22.01 H new ATOM 0 HH21 ARG A 599 6.613 -16.368 0.782 1.00 12.33 H new ATOM 0 HH22 ARG A 599 6.987 -16.748 -0.903 1.00 12.33 H new ATOM 578 N TRP A 600 7.579 -7.717 4.356 1.00 24.13 N ATOM 579 CA TRP A 600 7.640 -6.261 4.422 1.00 1.45 C ATOM 580 C TRP A 600 8.928 -5.741 3.792 1.00 3.44 C ATOM 581 O TRP A 600 8.899 -4.844 2.949 1.00 41.33 O ATOM 582 CB TRP A 600 7.543 -5.792 5.874 1.00 21.50 C ATOM 583 CG TRP A 600 6.473 -6.493 6.654 1.00 43.21 C ATOM 584 CD1 TRP A 600 5.165 -6.650 6.294 1.00 71.41 C ATOM 585 CD2 TRP A 600 6.619 -7.130 7.928 1.00 41.02 C ATOM 586 NE1 TRP A 600 4.489 -7.346 7.267 1.00 71.32 N ATOM 587 CE2 TRP A 600 5.359 -7.653 8.280 1.00 61.33 C ATOM 588 CE3 TRP A 600 7.692 -7.311 8.805 1.00 71.23 C ATOM 589 CZ2 TRP A 600 5.146 -8.342 9.470 1.00 42.41 C ATOM 590 CZ3 TRP A 600 7.478 -7.995 9.987 1.00 72.01 C ATOM 591 CH2 TRP A 600 6.213 -8.505 10.310 1.00 62.41 C ATOM 0 H TRP A 600 7.658 -8.184 5.260 1.00 24.13 H new ATOM 0 HA TRP A 600 6.796 -5.861 3.861 1.00 1.45 H new ATOM 0 HB2 TRP A 600 8.503 -5.951 6.365 1.00 21.50 H new ATOM 0 HB3 TRP A 600 7.350 -4.719 5.890 1.00 21.50 H new ATOM 0 HD1 TRP A 600 4.726 -6.281 5.379 1.00 71.41 H new ATOM 0 HE1 TRP A 600 3.500 -7.594 7.240 1.00 71.32 H new ATOM 0 HE3 TRP A 600 8.671 -6.923 8.564 1.00 71.23 H new ATOM 0 HZ2 TRP A 600 4.172 -8.734 9.722 1.00 42.41 H new ATOM 0 HZ3 TRP A 600 8.299 -8.139 10.673 1.00 72.01 H new ATOM 0 HH2 TRP A 600 6.078 -9.037 11.240 1.00 62.41 H new ATOM 601 N ARG A 601 10.056 -6.312 4.204 1.00 71.22 N ATOM 602 CA ARG A 601 11.353 -5.904 3.681 1.00 4.12 C ATOM 603 C ARG A 601 11.361 -5.944 2.155 1.00 53.25 C ATOM 604 O ARG A 601 11.908 -5.055 1.504 1.00 34.25 O ATOM 605 CB ARG A 601 12.457 -6.810 4.230 1.00 62.05 C ATOM 606 CG ARG A 601 12.532 -6.825 5.748 1.00 25.31 C ATOM 607 CD ARG A 601 13.630 -7.755 6.242 1.00 54.30 C ATOM 608 NE ARG A 601 13.472 -8.084 7.656 1.00 62.35 N ATOM 609 CZ ARG A 601 14.210 -8.991 8.286 1.00 41.14 C ATOM 610 NH1 ARG A 601 15.149 -9.658 7.631 1.00 22.50 N ATOM 611 NH2 ARG A 601 14.008 -9.234 9.575 1.00 71.32 N ATOM 0 H ARG A 601 10.097 -7.058 4.898 1.00 71.22 H new ATOM 0 HA ARG A 601 11.540 -4.879 4.002 1.00 4.12 H new ATOM 0 HB2 ARG A 601 12.293 -7.827 3.872 1.00 62.05 H new ATOM 0 HB3 ARG A 601 13.417 -6.483 3.830 1.00 62.05 H new ATOM 0 HG2 ARG A 601 12.717 -5.815 6.114 1.00 25.31 H new ATOM 0 HG3 ARG A 601 11.573 -7.142 6.158 1.00 25.31 H new ATOM 0 HD2 ARG A 601 13.621 -8.672 5.653 1.00 54.30 H new ATOM 0 HD3 ARG A 601 14.601 -7.285 6.085 1.00 54.30 H new ATOM 0 HE ARG A 601 12.756 -7.590 8.189 1.00 62.35 H new ATOM 0 HH11 ARG A 601 15.307 -9.476 6.640 1.00 22.50 H new ATOM 0 HH12 ARG A 601 15.714 -10.354 8.118 1.00 22.50 H new ATOM 0 HH21 ARG A 601 13.285 -8.724 10.083 1.00 71.32 H new ATOM 0 HH22 ARG A 601 14.575 -9.931 10.058 1.00 71.32 H new ATOM 622 N ASP A 602 10.750 -6.982 1.593 1.00 25.50 N ATOM 623 CA ASP A 602 10.686 -7.138 0.145 1.00 31.15 C ATOM 624 C ASP A 602 9.801 -6.063 -0.479 1.00 54.31 C ATOM 625 O ASP A 602 10.018 -5.649 -1.618 1.00 53.25 O ATOM 626 CB ASP A 602 10.156 -8.526 -0.217 1.00 43.00 C ATOM 627 CG ASP A 602 10.957 -9.638 0.430 1.00 50.45 C ATOM 628 OD1 ASP A 602 12.044 -9.348 0.972 1.00 60.12 O ATOM 629 OD2 ASP A 602 10.497 -10.799 0.395 1.00 3.51 O ATOM 0 H ASP A 602 10.292 -7.727 2.118 1.00 25.50 H new ATOM 0 HA ASP A 602 11.695 -7.028 -0.252 1.00 31.15 H new ATOM 0 HB2 ASP A 602 9.114 -8.606 0.092 1.00 43.00 H new ATOM 0 HB3 ASP A 602 10.178 -8.649 -1.300 1.00 43.00 H new ATOM 633 N VAL A 603 8.801 -5.616 0.274 1.00 64.15 N ATOM 634 CA VAL A 603 7.883 -4.590 -0.204 1.00 43.35 C ATOM 635 C VAL A 603 8.557 -3.224 -0.242 1.00 32.03 C ATOM 636 O VAL A 603 8.252 -2.392 -1.098 1.00 53.31 O ATOM 637 CB VAL A 603 6.626 -4.505 0.683 1.00 74.03 C ATOM 638 CG1 VAL A 603 5.814 -3.265 0.342 1.00 31.44 C ATOM 639 CG2 VAL A 603 5.783 -5.762 0.533 1.00 74.11 C ATOM 0 H VAL A 603 8.606 -5.949 1.218 1.00 64.15 H new ATOM 0 HA VAL A 603 7.588 -4.875 -1.214 1.00 43.35 H new ATOM 0 HB VAL A 603 6.941 -4.428 1.724 1.00 74.03 H new ATOM 0 HG11 VAL A 603 4.930 -3.222 0.979 1.00 31.44 H new ATOM 0 HG12 VAL A 603 6.422 -2.375 0.505 1.00 31.44 H new ATOM 0 HG13 VAL A 603 5.507 -3.307 -0.703 1.00 31.44 H new ATOM 0 HG21 VAL A 603 4.899 -5.685 1.166 1.00 74.11 H new ATOM 0 HG22 VAL A 603 5.476 -5.872 -0.507 1.00 74.11 H new ATOM 0 HG23 VAL A 603 6.369 -6.631 0.832 1.00 74.11 H new ATOM 649 N LYS A 604 9.477 -2.997 0.689 1.00 32.01 N ATOM 650 CA LYS A 604 10.199 -1.732 0.762 1.00 75.41 C ATOM 651 C LYS A 604 11.189 -1.604 -0.391 1.00 65.44 C ATOM 652 O LYS A 604 11.322 -0.539 -0.992 1.00 61.13 O ATOM 653 CB LYS A 604 10.935 -1.617 2.098 1.00 62.03 C ATOM 654 CG LYS A 604 11.894 -0.442 2.164 1.00 24.52 C ATOM 655 CD LYS A 604 12.503 -0.295 3.549 1.00 51.41 C ATOM 656 CE LYS A 604 13.740 -1.166 3.709 1.00 11.31 C ATOM 657 NZ LYS A 604 13.400 -2.524 4.216 1.00 52.30 N ATOM 0 H LYS A 604 9.741 -3.674 1.405 1.00 32.01 H new ATOM 0 HA LYS A 604 9.473 -0.923 0.685 1.00 75.41 H new ATOM 0 HB2 LYS A 604 10.203 -1.523 2.900 1.00 62.03 H new ATOM 0 HB3 LYS A 604 11.489 -2.538 2.279 1.00 62.03 H new ATOM 0 HG2 LYS A 604 12.688 -0.577 1.429 1.00 24.52 H new ATOM 0 HG3 LYS A 604 11.367 0.474 1.898 1.00 24.52 H new ATOM 0 HD2 LYS A 604 12.766 0.748 3.723 1.00 51.41 H new ATOM 0 HD3 LYS A 604 11.765 -0.568 4.303 1.00 51.41 H new ATOM 0 HE2 LYS A 604 14.249 -1.254 2.749 1.00 11.31 H new ATOM 0 HE3 LYS A 604 14.436 -0.685 4.396 1.00 11.31 H new ATOM 0 HZ1 LYS A 604 13.802 -2.650 5.167 1.00 52.30 H new ATOM 0 HZ2 LYS A 604 12.366 -2.629 4.260 1.00 52.30 H new ATOM 0 HZ3 LYS A 604 13.794 -3.242 3.575 1.00 52.30 H new ATOM 667 N MET A 605 11.883 -2.697 -0.693 1.00 54.51 N ATOM 668 CA MET A 605 12.860 -2.706 -1.775 1.00 41.10 C ATOM 669 C MET A 605 12.168 -2.682 -3.133 1.00 11.14 C ATOM 670 O MET A 605 12.694 -2.131 -4.100 1.00 23.11 O ATOM 671 CB MET A 605 13.758 -3.941 -1.669 1.00 60.04 C ATOM 672 CG MET A 605 13.030 -5.247 -1.941 1.00 65.11 C ATOM 673 SD MET A 605 14.124 -6.679 -1.876 1.00 32.40 S ATOM 674 CE MET A 605 14.791 -6.520 -0.221 1.00 25.34 C ATOM 0 H MET A 605 11.787 -3.587 -0.204 1.00 54.51 H new ATOM 0 HA MET A 605 13.474 -1.810 -1.684 1.00 41.10 H new ATOM 0 HB2 MET A 605 14.584 -3.841 -2.374 1.00 60.04 H new ATOM 0 HB3 MET A 605 14.194 -3.979 -0.671 1.00 60.04 H new ATOM 0 HG2 MET A 605 12.231 -5.372 -1.210 1.00 65.11 H new ATOM 0 HG3 MET A 605 12.559 -5.198 -2.923 1.00 65.11 H new ATOM 0 HE1 MET A 605 15.222 -7.471 0.091 1.00 25.34 H new ATOM 0 HE2 MET A 605 15.564 -5.751 -0.212 1.00 25.34 H new ATOM 0 HE3 MET A 605 13.994 -6.240 0.467 1.00 25.34 H new ATOM 682 N ARG A 606 10.985 -3.284 -3.200 1.00 14.43 N ATOM 683 CA ARG A 606 10.220 -3.333 -4.441 1.00 25.34 C ATOM 684 C ARG A 606 9.469 -2.025 -4.668 1.00 21.40 C ATOM 685 O ARG A 606 9.398 -1.525 -5.791 1.00 63.23 O ATOM 686 CB ARG A 606 9.235 -4.502 -4.413 1.00 42.41 C ATOM 687 CG ARG A 606 8.192 -4.447 -5.517 1.00 32.42 C ATOM 688 CD ARG A 606 7.699 -5.836 -5.888 1.00 52.53 C ATOM 689 NE ARG A 606 7.313 -5.924 -7.294 1.00 63.50 N ATOM 690 CZ ARG A 606 8.187 -5.992 -8.292 1.00 0.01 C ATOM 691 NH1 ARG A 606 9.489 -5.984 -8.040 1.00 53.21 N ATOM 692 NH2 ARG A 606 7.758 -6.070 -9.546 1.00 3.24 N ATOM 0 H ARG A 606 10.535 -3.745 -2.409 1.00 14.43 H new ATOM 0 HA ARG A 606 10.920 -3.478 -5.264 1.00 25.34 H new ATOM 0 HB2 ARG A 606 9.791 -5.436 -4.496 1.00 42.41 H new ATOM 0 HB3 ARG A 606 8.729 -4.517 -3.448 1.00 42.41 H new ATOM 0 HG2 ARG A 606 7.350 -3.835 -5.193 1.00 32.42 H new ATOM 0 HG3 ARG A 606 8.617 -3.964 -6.397 1.00 32.42 H new ATOM 0 HD2 ARG A 606 8.482 -6.566 -5.681 1.00 52.53 H new ATOM 0 HD3 ARG A 606 6.846 -6.097 -5.261 1.00 52.53 H new ATOM 0 HE ARG A 606 6.319 -5.934 -7.522 1.00 63.50 H new ATOM 0 HH11 ARG A 606 9.822 -5.926 -7.078 1.00 53.21 H new ATOM 0 HH12 ARG A 606 10.158 -6.036 -8.809 1.00 53.21 H new ATOM 0 HH21 ARG A 606 6.757 -6.078 -9.743 1.00 3.24 H new ATOM 0 HH22 ARG A 606 8.429 -6.122 -10.312 1.00 3.24 H new ATOM 703 N ALA A 607 8.908 -1.477 -3.596 1.00 61.44 N ATOM 704 CA ALA A 607 8.163 -0.227 -3.677 1.00 30.40 C ATOM 705 C ALA A 607 9.104 0.973 -3.695 1.00 33.44 C ATOM 706 O ALA A 607 9.229 1.661 -4.709 1.00 32.01 O ATOM 707 CB ALA A 607 7.187 -0.117 -2.514 1.00 14.02 C ATOM 0 H ALA A 607 8.955 -1.879 -2.660 1.00 61.44 H new ATOM 0 HA ALA A 607 7.600 -0.229 -4.610 1.00 30.40 H new ATOM 0 HB1 ALA A 607 6.638 0.822 -2.588 1.00 14.02 H new ATOM 0 HB2 ALA A 607 6.486 -0.951 -2.547 1.00 14.02 H new ATOM 0 HB3 ALA A 607 7.737 -0.142 -1.573 1.00 14.02 H new ATOM 713 N PHE A 608 9.763 1.220 -2.568 1.00 0.45 N ATOM 714 CA PHE A 608 10.691 2.339 -2.454 1.00 10.11 C ATOM 715 C PHE A 608 11.967 2.068 -3.246 1.00 30.54 C ATOM 716 O PHE A 608 12.635 1.055 -3.041 1.00 22.13 O ATOM 717 CB PHE A 608 11.033 2.598 -0.986 1.00 44.10 C ATOM 718 CG PHE A 608 9.841 2.962 -0.147 1.00 30.14 C ATOM 719 CD1 PHE A 608 8.977 1.982 0.314 1.00 23.20 C ATOM 720 CD2 PHE A 608 9.585 4.284 0.177 1.00 65.41 C ATOM 721 CE1 PHE A 608 7.880 2.314 1.086 1.00 60.41 C ATOM 722 CE2 PHE A 608 8.490 4.622 0.949 1.00 10.20 C ATOM 723 CZ PHE A 608 7.635 3.636 1.404 1.00 11.25 C ATOM 0 H PHE A 608 9.672 0.660 -1.720 1.00 0.45 H new ATOM 0 HA PHE A 608 10.208 3.224 -2.868 1.00 10.11 H new ATOM 0 HB2 PHE A 608 11.503 1.708 -0.568 1.00 44.10 H new ATOM 0 HB3 PHE A 608 11.767 3.402 -0.929 1.00 44.10 H new ATOM 0 HD1 PHE A 608 9.163 0.947 0.067 1.00 23.20 H new ATOM 0 HD2 PHE A 608 10.248 5.059 -0.178 1.00 65.41 H new ATOM 0 HE1 PHE A 608 7.215 1.541 1.440 1.00 60.41 H new ATOM 0 HE2 PHE A 608 8.302 5.656 1.197 1.00 10.20 H new ATOM 0 HZ PHE A 608 6.778 3.898 2.006 1.00 11.25 H new ATOM 828 N TYR A 616 11.756 -1.277 7.942 1.00 1.23 N ATOM 829 CA TYR A 616 10.751 -2.032 7.203 1.00 4.32 C ATOM 830 C TYR A 616 9.386 -1.926 7.876 1.00 11.24 C ATOM 831 O TYR A 616 8.362 -2.270 7.286 1.00 54.41 O ATOM 832 CB TYR A 616 11.165 -3.500 7.092 1.00 4.31 C ATOM 833 CG TYR A 616 11.575 -4.115 8.412 1.00 20.13 C ATOM 834 CD1 TYR A 616 10.624 -4.598 9.301 1.00 64.01 C ATOM 835 CD2 TYR A 616 12.915 -4.213 8.767 1.00 4.32 C ATOM 836 CE1 TYR A 616 10.995 -5.159 10.508 1.00 73.05 C ATOM 837 CE2 TYR A 616 13.295 -4.775 9.971 1.00 52.33 C ATOM 838 CZ TYR A 616 12.331 -5.246 10.838 1.00 51.01 C ATOM 839 OH TYR A 616 12.705 -5.806 12.039 1.00 32.12 O ATOM 0 HA TYR A 616 10.676 -1.606 6.202 1.00 4.32 H new ATOM 0 HB2 TYR A 616 10.336 -4.072 6.676 1.00 4.31 H new ATOM 0 HB3 TYR A 616 11.994 -3.583 6.389 1.00 4.31 H new ATOM 0 HD1 TYR A 616 9.577 -4.534 9.045 1.00 64.01 H new ATOM 0 HD2 TYR A 616 13.672 -3.844 8.091 1.00 4.32 H new ATOM 0 HE1 TYR A 616 10.242 -5.527 11.189 1.00 73.05 H new ATOM 0 HE2 TYR A 616 14.341 -4.845 10.232 1.00 52.33 H new ATOM 0 HH TYR A 616 13.682 -5.792 12.116 1.00 32.12 H new ATOM 848 N VAL A 617 9.381 -1.447 9.115 1.00 52.14 N ATOM 849 CA VAL A 617 8.143 -1.293 9.870 1.00 72.24 C ATOM 850 C VAL A 617 7.303 -0.147 9.319 1.00 74.44 C ATOM 851 O VAL A 617 6.072 -0.199 9.339 1.00 4.52 O ATOM 852 CB VAL A 617 8.424 -1.038 11.364 1.00 33.22 C ATOM 853 CG1 VAL A 617 9.224 0.243 11.545 1.00 61.41 C ATOM 854 CG2 VAL A 617 7.121 -0.979 12.148 1.00 32.33 C ATOM 0 H VAL A 617 10.220 -1.159 9.618 1.00 52.14 H new ATOM 0 HA VAL A 617 7.591 -2.227 9.767 1.00 72.24 H new ATOM 0 HB VAL A 617 9.017 -1.866 11.752 1.00 33.22 H new ATOM 0 HG11 VAL A 617 9.413 0.407 12.606 1.00 61.41 H new ATOM 0 HG12 VAL A 617 10.173 0.157 11.016 1.00 61.41 H new ATOM 0 HG13 VAL A 617 8.660 1.084 11.143 1.00 61.41 H new ATOM 0 HG21 VAL A 617 7.338 -0.798 13.201 1.00 32.33 H new ATOM 0 HG22 VAL A 617 6.500 -0.171 11.761 1.00 32.33 H new ATOM 0 HG23 VAL A 617 6.591 -1.926 12.044 1.00 32.33 H new ATOM 864 N ASP A 618 7.974 0.889 8.828 1.00 24.11 N ATOM 865 CA ASP A 618 7.289 2.048 8.269 1.00 34.32 C ATOM 866 C ASP A 618 6.257 1.622 7.230 1.00 70.01 C ATOM 867 O ASP A 618 5.098 2.034 7.287 1.00 54.45 O ATOM 868 CB ASP A 618 8.299 3.009 7.638 1.00 51.44 C ATOM 869 CG ASP A 618 8.609 4.192 8.533 1.00 24.43 C ATOM 870 OD1 ASP A 618 8.689 4.000 9.764 1.00 41.30 O ATOM 871 OD2 ASP A 618 8.773 5.311 8.002 1.00 21.42 O ATOM 0 H ASP A 618 8.992 0.950 8.806 1.00 24.11 H new ATOM 0 HA ASP A 618 6.771 2.558 9.081 1.00 34.32 H new ATOM 0 HB2 ASP A 618 9.221 2.471 7.420 1.00 51.44 H new ATOM 0 HB3 ASP A 618 7.908 3.369 6.687 1.00 51.44 H new ATOM 875 N LEU A 619 6.685 0.796 6.283 1.00 1.04 N ATOM 876 CA LEU A 619 5.798 0.314 5.229 1.00 51.01 C ATOM 877 C LEU A 619 4.629 -0.468 5.819 1.00 52.20 C ATOM 878 O LEU A 619 3.556 -0.549 5.219 1.00 53.23 O ATOM 879 CB LEU A 619 6.572 -0.566 4.247 1.00 11.40 C ATOM 880 CG LEU A 619 6.821 -2.009 4.690 1.00 62.41 C ATOM 881 CD1 LEU A 619 5.846 -2.954 4.008 1.00 33.35 C ATOM 882 CD2 LEU A 619 8.258 -2.416 4.395 1.00 51.52 C ATOM 0 H LEU A 619 7.641 0.445 6.222 1.00 1.04 H new ATOM 0 HA LEU A 619 5.402 1.179 4.697 1.00 51.01 H new ATOM 0 HB2 LEU A 619 6.029 -0.586 3.302 1.00 11.40 H new ATOM 0 HB3 LEU A 619 7.536 -0.096 4.051 1.00 11.40 H new ATOM 0 HG LEU A 619 6.660 -2.071 5.766 1.00 62.41 H new ATOM 0 HD11 LEU A 619 6.039 -3.975 4.336 1.00 33.35 H new ATOM 0 HD12 LEU A 619 4.825 -2.676 4.271 1.00 33.35 H new ATOM 0 HD13 LEU A 619 5.973 -2.890 2.927 1.00 33.35 H new ATOM 0 HD21 LEU A 619 8.418 -3.445 4.716 1.00 51.52 H new ATOM 0 HD22 LEU A 619 8.446 -2.337 3.324 1.00 51.52 H new ATOM 0 HD23 LEU A 619 8.940 -1.758 4.933 1.00 51.52 H new ATOM 893 N LYS A 620 4.842 -1.043 6.998 1.00 33.55 N ATOM 894 CA LYS A 620 3.805 -1.816 7.672 1.00 11.14 C ATOM 895 C LYS A 620 2.699 -0.905 8.194 1.00 64.31 C ATOM 896 O LYS A 620 1.528 -1.282 8.211 1.00 51.31 O ATOM 897 CB LYS A 620 4.408 -2.618 8.826 1.00 42.22 C ATOM 898 CG LYS A 620 3.652 -3.897 9.138 1.00 44.35 C ATOM 899 CD LYS A 620 3.782 -4.280 10.604 1.00 33.44 C ATOM 900 CE LYS A 620 5.137 -4.903 10.899 1.00 50.32 C ATOM 901 NZ LYS A 620 5.065 -5.882 12.018 1.00 11.50 N ATOM 0 H LYS A 620 5.724 -0.988 7.507 1.00 33.55 H new ATOM 0 HA LYS A 620 3.371 -2.505 6.947 1.00 11.14 H new ATOM 0 HB2 LYS A 620 5.441 -2.867 8.584 1.00 42.22 H new ATOM 0 HB3 LYS A 620 4.431 -1.993 9.719 1.00 42.22 H new ATOM 0 HG2 LYS A 620 2.599 -3.769 8.887 1.00 44.35 H new ATOM 0 HG3 LYS A 620 4.032 -4.706 8.515 1.00 44.35 H new ATOM 0 HD2 LYS A 620 3.644 -3.395 11.226 1.00 33.44 H new ATOM 0 HD3 LYS A 620 2.992 -4.983 10.869 1.00 33.44 H new ATOM 0 HE2 LYS A 620 5.510 -5.401 10.004 1.00 50.32 H new ATOM 0 HE3 LYS A 620 5.851 -4.118 11.148 1.00 50.32 H new ATOM 0 HZ1 LYS A 620 5.680 -5.567 12.795 1.00 11.50 H new ATOM 0 HZ2 LYS A 620 4.085 -5.949 12.358 1.00 11.50 H new ATOM 0 HZ3 LYS A 620 5.380 -6.815 11.684 1.00 11.50 H new ATOM 911 N ASP A 621 3.079 0.296 8.617 1.00 43.14 N ATOM 912 CA ASP A 621 2.119 1.262 9.137 1.00 65.24 C ATOM 913 C ASP A 621 1.245 1.816 8.017 1.00 72.34 C ATOM 914 O ASP A 621 0.037 1.991 8.186 1.00 25.31 O ATOM 915 CB ASP A 621 2.847 2.405 9.847 1.00 14.30 C ATOM 916 CG ASP A 621 1.934 3.190 10.767 1.00 54.12 C ATOM 917 OD1 ASP A 621 1.467 2.615 11.773 1.00 10.02 O ATOM 918 OD2 ASP A 621 1.686 4.381 10.483 1.00 11.34 O ATOM 0 H ASP A 621 4.045 0.623 8.610 1.00 43.14 H new ATOM 0 HA ASP A 621 1.477 0.750 9.854 1.00 65.24 H new ATOM 0 HB2 ASP A 621 3.678 2.000 10.424 1.00 14.30 H new ATOM 0 HB3 ASP A 621 3.274 3.078 9.103 1.00 14.30 H new ATOM 922 N LYS A 622 1.861 2.092 6.874 1.00 25.35 N ATOM 923 CA LYS A 622 1.141 2.627 5.725 1.00 55.45 C ATOM 924 C LYS A 622 0.153 1.601 5.177 1.00 31.30 C ATOM 925 O LYS A 622 -0.917 1.959 4.685 1.00 41.23 O ATOM 926 CB LYS A 622 2.123 3.042 4.627 1.00 64.13 C ATOM 927 CG LYS A 622 3.281 3.885 5.135 1.00 12.11 C ATOM 928 CD LYS A 622 2.794 5.178 5.767 1.00 43.01 C ATOM 929 CE LYS A 622 3.922 5.909 6.479 1.00 41.12 C ATOM 930 NZ LYS A 622 3.592 6.183 7.905 1.00 22.35 N ATOM 0 H LYS A 622 2.859 1.954 6.718 1.00 25.35 H new ATOM 0 HA LYS A 622 0.584 3.504 6.054 1.00 55.45 H new ATOM 0 HB2 LYS A 622 2.519 2.147 4.148 1.00 64.13 H new ATOM 0 HB3 LYS A 622 1.585 3.602 3.862 1.00 64.13 H new ATOM 0 HG2 LYS A 622 3.854 3.315 5.866 1.00 12.11 H new ATOM 0 HG3 LYS A 622 3.955 4.114 4.310 1.00 12.11 H new ATOM 0 HD2 LYS A 622 2.369 5.823 4.998 1.00 43.01 H new ATOM 0 HD3 LYS A 622 1.996 4.960 6.476 1.00 43.01 H new ATOM 0 HE2 LYS A 622 4.833 5.312 6.425 1.00 41.12 H new ATOM 0 HE3 LYS A 622 4.126 6.849 5.966 1.00 41.12 H new ATOM 0 HZ1 LYS A 622 4.386 6.682 8.355 1.00 22.35 H new ATOM 0 HZ2 LYS A 622 2.738 6.774 7.956 1.00 22.35 H new ATOM 0 HZ3 LYS A 622 3.422 5.285 8.401 1.00 22.35 H new ATOM 940 N TRP A 623 0.520 0.328 5.265 1.00 30.40 N ATOM 941 CA TRP A 623 -0.335 -0.748 4.779 1.00 2.43 C ATOM 942 C TRP A 623 -1.576 -0.894 5.650 1.00 72.05 C ATOM 943 O TRP A 623 -2.701 -0.900 5.150 1.00 72.23 O ATOM 944 CB TRP A 623 0.439 -2.067 4.749 1.00 10.22 C ATOM 945 CG TRP A 623 -0.419 -3.267 5.016 1.00 73.42 C ATOM 946 CD1 TRP A 623 -1.512 -3.668 4.302 1.00 70.10 C ATOM 947 CD2 TRP A 623 -0.257 -4.217 6.075 1.00 12.44 C ATOM 948 NE1 TRP A 623 -2.039 -4.812 4.852 1.00 64.52 N ATOM 949 CE2 TRP A 623 -1.287 -5.169 5.940 1.00 73.23 C ATOM 950 CE3 TRP A 623 0.657 -4.358 7.122 1.00 11.04 C ATOM 951 CZ2 TRP A 623 -1.425 -6.244 6.814 1.00 42.05 C ATOM 952 CZ3 TRP A 623 0.519 -5.425 7.988 1.00 12.40 C ATOM 953 CH2 TRP A 623 -0.515 -6.357 7.830 1.00 55.52 C ATOM 0 H TRP A 623 1.403 0.016 5.668 1.00 30.40 H new ATOM 0 HA TRP A 623 -0.652 -0.497 3.767 1.00 2.43 H new ATOM 0 HB2 TRP A 623 0.914 -2.179 3.774 1.00 10.22 H new ATOM 0 HB3 TRP A 623 1.237 -2.028 5.490 1.00 10.22 H new ATOM 0 HD1 TRP A 623 -1.904 -3.161 3.433 1.00 70.10 H new ATOM 0 HE1 TRP A 623 -2.857 -5.314 4.506 1.00 64.52 H new ATOM 0 HE3 TRP A 623 1.458 -3.645 7.252 1.00 11.04 H new ATOM 0 HZ2 TRP A 623 -2.222 -6.963 6.694 1.00 42.05 H new ATOM 0 HZ3 TRP A 623 1.220 -5.543 8.801 1.00 12.40 H new ATOM 0 HH2 TRP A 623 -0.596 -7.181 8.524 1.00 55.52 H new ATOM 963 N LYS A 624 -1.367 -1.010 6.958 1.00 24.25 N ATOM 964 CA LYS A 624 -2.470 -1.153 7.900 1.00 3.21 C ATOM 965 C LYS A 624 -3.521 -0.072 7.675 1.00 52.33 C ATOM 966 O LYS A 624 -4.700 -0.370 7.476 1.00 71.11 O ATOM 967 CB LYS A 624 -1.951 -1.083 9.338 1.00 1.40 C ATOM 968 CG LYS A 624 -2.741 -1.941 10.313 1.00 31.32 C ATOM 969 CD LYS A 624 -3.874 -1.156 10.951 1.00 50.42 C ATOM 970 CE LYS A 624 -5.020 -2.069 11.363 1.00 61.24 C ATOM 971 NZ LYS A 624 -4.547 -3.216 12.186 1.00 10.21 N ATOM 0 H LYS A 624 -0.443 -1.008 7.389 1.00 24.25 H new ATOM 0 HA LYS A 624 -2.933 -2.126 7.734 1.00 3.21 H new ATOM 0 HB2 LYS A 624 -0.907 -1.397 9.354 1.00 1.40 H new ATOM 0 HB3 LYS A 624 -1.978 -0.047 9.675 1.00 1.40 H new ATOM 0 HG2 LYS A 624 -3.146 -2.808 9.791 1.00 31.32 H new ATOM 0 HG3 LYS A 624 -2.076 -2.318 11.089 1.00 31.32 H new ATOM 0 HD2 LYS A 624 -3.501 -0.621 11.824 1.00 50.42 H new ATOM 0 HD3 LYS A 624 -4.239 -0.406 10.249 1.00 50.42 H new ATOM 0 HE2 LYS A 624 -5.756 -1.496 11.927 1.00 61.24 H new ATOM 0 HE3 LYS A 624 -5.523 -2.444 10.472 1.00 61.24 H new ATOM 0 HZ1 LYS A 624 -5.366 -3.717 12.587 1.00 10.21 H new ATOM 0 HZ2 LYS A 624 -4.000 -3.869 11.590 1.00 10.21 H new ATOM 0 HZ3 LYS A 624 -3.945 -2.865 12.958 1.00 10.21 H new ATOM 981 N THR A 625 -3.089 1.184 7.707 1.00 31.04 N ATOM 982 CA THR A 625 -3.993 2.309 7.506 1.00 22.30 C ATOM 983 C THR A 625 -4.665 2.238 6.140 1.00 63.30 C ATOM 984 O THR A 625 -5.808 2.666 5.975 1.00 22.41 O ATOM 985 CB THR A 625 -3.253 3.654 7.632 1.00 71.13 C ATOM 986 OG1 THR A 625 -4.161 4.737 7.397 1.00 44.30 O ATOM 987 CG2 THR A 625 -2.098 3.731 6.646 1.00 60.24 C ATOM 0 H THR A 625 -2.117 1.448 7.870 1.00 31.04 H new ATOM 0 HA THR A 625 -4.753 2.246 8.285 1.00 22.30 H new ATOM 0 HB THR A 625 -2.852 3.729 8.643 1.00 71.13 H new ATOM 0 HG1 THR A 625 -3.683 5.589 7.480 1.00 44.30 H new ATOM 0 HG21 THR A 625 -1.591 4.690 6.754 1.00 60.24 H new ATOM 0 HG22 THR A 625 -1.394 2.923 6.847 1.00 60.24 H new ATOM 0 HG23 THR A 625 -2.480 3.635 5.630 1.00 60.24 H new ATOM 995 N LEU A 626 -3.949 1.695 5.161 1.00 44.22 N ATOM 996 CA LEU A 626 -4.476 1.567 3.808 1.00 30.21 C ATOM 997 C LEU A 626 -5.729 0.696 3.791 1.00 24.05 C ATOM 998 O LEU A 626 -6.775 1.104 3.289 1.00 34.33 O ATOM 999 CB LEU A 626 -3.415 0.972 2.880 1.00 21.31 C ATOM 1000 CG LEU A 626 -3.068 1.798 1.641 1.00 13.31 C ATOM 1001 CD1 LEU A 626 -1.706 1.396 1.096 1.00 15.43 C ATOM 1002 CD2 LEU A 626 -4.141 1.635 0.574 1.00 10.12 C ATOM 0 H LEU A 626 -3.002 1.336 5.280 1.00 44.22 H new ATOM 0 HA LEU A 626 -4.743 2.562 3.453 1.00 30.21 H new ATOM 0 HB2 LEU A 626 -2.503 0.817 3.456 1.00 21.31 H new ATOM 0 HB3 LEU A 626 -3.756 -0.010 2.553 1.00 21.31 H new ATOM 0 HG LEU A 626 -3.026 2.849 1.928 1.00 13.31 H new ATOM 0 HD11 LEU A 626 -1.476 1.994 0.214 1.00 15.43 H new ATOM 0 HD12 LEU A 626 -0.945 1.565 1.858 1.00 15.43 H new ATOM 0 HD13 LEU A 626 -1.720 0.340 0.825 1.00 15.43 H new ATOM 0 HD21 LEU A 626 -3.878 2.230 -0.301 1.00 10.12 H new ATOM 0 HD22 LEU A 626 -4.215 0.585 0.290 1.00 10.12 H new ATOM 0 HD23 LEU A 626 -5.100 1.973 0.967 1.00 10.12 H new ATOM 1013 N VAL A 627 -5.614 -0.507 4.346 1.00 2.15 N ATOM 1014 CA VAL A 627 -6.736 -1.435 4.398 1.00 75.24 C ATOM 1015 C VAL A 627 -7.953 -0.789 5.052 1.00 4.40 C ATOM 1016 O VAL A 627 -9.050 -0.800 4.494 1.00 54.50 O ATOM 1017 CB VAL A 627 -6.371 -2.716 5.171 1.00 40.33 C ATOM 1018 CG1 VAL A 627 -7.603 -3.584 5.379 1.00 25.50 C ATOM 1019 CG2 VAL A 627 -5.282 -3.487 4.440 1.00 75.30 C ATOM 0 H VAL A 627 -4.754 -0.861 4.766 1.00 2.15 H new ATOM 0 HA VAL A 627 -6.977 -1.698 3.368 1.00 75.24 H new ATOM 0 HB VAL A 627 -5.987 -2.432 6.151 1.00 40.33 H new ATOM 0 HG11 VAL A 627 -7.325 -4.484 5.927 1.00 25.50 H new ATOM 0 HG12 VAL A 627 -8.348 -3.028 5.948 1.00 25.50 H new ATOM 0 HG13 VAL A 627 -8.020 -3.862 4.411 1.00 25.50 H new ATOM 0 HG21 VAL A 627 -5.036 -4.389 5.000 1.00 75.30 H new ATOM 0 HG22 VAL A 627 -5.635 -3.762 3.446 1.00 75.30 H new ATOM 0 HG23 VAL A 627 -4.393 -2.863 4.349 1.00 75.30 H new ATOM 1029 N HIS A 628 -7.751 -0.226 6.238 1.00 32.10 N ATOM 1030 CA HIS A 628 -8.831 0.427 6.969 1.00 43.34 C ATOM 1031 C HIS A 628 -9.538 1.455 6.090 1.00 44.33 C ATOM 1032 O HIS A 628 -10.749 1.650 6.196 1.00 75.40 O ATOM 1033 CB HIS A 628 -8.288 1.103 8.229 1.00 74.40 C ATOM 1034 CG HIS A 628 -8.436 0.272 9.466 1.00 15.53 C ATOM 1035 ND1 HIS A 628 -9.293 0.600 10.495 1.00 12.02 N ATOM 1036 CD2 HIS A 628 -7.832 -0.881 9.834 1.00 40.23 C ATOM 1037 CE1 HIS A 628 -9.208 -0.314 11.444 1.00 5.21 C ATOM 1038 NE2 HIS A 628 -8.328 -1.224 11.068 1.00 4.31 N ATOM 0 H HIS A 628 -6.849 -0.209 6.714 1.00 32.10 H new ATOM 0 HA HIS A 628 -9.553 -0.336 7.259 1.00 43.34 H new ATOM 0 HB2 HIS A 628 -7.233 1.335 8.081 1.00 74.40 H new ATOM 0 HB3 HIS A 628 -8.805 2.051 8.374 1.00 74.40 H new ATOM 0 HD2 HIS A 628 -7.097 -1.430 9.264 1.00 40.23 H new ATOM 0 HE1 HIS A 628 -9.764 -0.317 12.370 1.00 5.21 H new ATOM 0 HE2 HIS A 628 -8.060 -2.048 11.607 1.00 4.31 H new ATOM 1045 N THR A 629 -8.773 2.110 5.222 1.00 41.13 N ATOM 1046 CA THR A 629 -9.326 3.119 4.327 1.00 41.53 C ATOM 1047 C THR A 629 -10.189 2.481 3.246 1.00 13.30 C ATOM 1048 O THR A 629 -11.137 3.093 2.753 1.00 43.31 O ATOM 1049 CB THR A 629 -8.211 3.945 3.657 1.00 55.11 C ATOM 1050 OG1 THR A 629 -7.581 4.792 4.624 1.00 23.43 O ATOM 1051 CG2 THR A 629 -8.773 4.792 2.525 1.00 10.54 C ATOM 0 H THR A 629 -7.769 1.960 5.120 1.00 41.13 H new ATOM 0 HA THR A 629 -9.942 3.780 4.937 1.00 41.53 H new ATOM 0 HB THR A 629 -7.475 3.255 3.244 1.00 55.11 H new ATOM 0 HG1 THR A 629 -6.947 4.266 5.156 1.00 23.43 H new ATOM 0 HG21 THR A 629 -7.968 5.367 2.066 1.00 10.54 H new ATOM 0 HG22 THR A 629 -9.228 4.143 1.776 1.00 10.54 H new ATOM 0 HG23 THR A 629 -9.526 5.474 2.920 1.00 10.54 H new ATOM 1059 N ALA A 630 -9.857 1.246 2.881 1.00 74.34 N ATOM 1060 CA ALA A 630 -10.605 0.524 1.859 1.00 75.13 C ATOM 1061 C ALA A 630 -12.090 0.474 2.199 1.00 51.24 C ATOM 1062 O ALA A 630 -12.939 0.791 1.366 1.00 41.30 O ATOM 1063 CB ALA A 630 -10.051 -0.883 1.696 1.00 12.01 C ATOM 0 H ALA A 630 -9.075 0.725 3.278 1.00 74.34 H new ATOM 0 HA ALA A 630 -10.493 1.058 0.916 1.00 75.13 H new ATOM 0 HB1 ALA A 630 -10.619 -1.411 0.930 1.00 12.01 H new ATOM 0 HB2 ALA A 630 -9.004 -0.829 1.399 1.00 12.01 H new ATOM 0 HB3 ALA A 630 -10.133 -1.418 2.642 1.00 12.01 H new ATOM 1069 N SER A 631 -12.398 0.072 3.429 1.00 12.13 N ATOM 1070 CA SER A 631 -13.782 -0.025 3.878 1.00 34.11 C ATOM 1071 C SER A 631 -13.861 -0.656 5.264 1.00 40.12 C ATOM 1072 O SER A 631 -14.347 -1.777 5.421 1.00 23.44 O ATOM 1073 CB SER A 631 -14.607 -0.845 2.883 1.00 62.43 C ATOM 1074 OG SER A 631 -15.849 -1.232 3.447 1.00 22.41 O ATOM 0 H SER A 631 -11.707 -0.192 4.132 1.00 12.13 H new ATOM 0 HA SER A 631 -14.191 0.984 3.934 1.00 34.11 H new ATOM 0 HB2 SER A 631 -14.781 -0.259 1.980 1.00 62.43 H new ATOM 0 HB3 SER A 631 -14.047 -1.732 2.585 1.00 62.43 H new ATOM 0 HG SER A 631 -15.694 -1.877 4.169 1.00 22.41 H new ATOM 1079 N ILE A 632 -13.381 0.072 6.267 1.00 4.23 N ATOM 1080 CA ILE A 632 -13.398 -0.417 7.640 1.00 60.43 C ATOM 1081 C ILE A 632 -14.027 0.606 8.580 1.00 34.23 C ATOM 1082 O ILE A 632 -15.161 0.438 9.026 1.00 75.44 O ATOM 1083 CB ILE A 632 -11.978 -0.747 8.137 1.00 51.03 C ATOM 1084 CG1 ILE A 632 -11.479 -2.045 7.499 1.00 14.34 C ATOM 1085 CG2 ILE A 632 -11.961 -0.856 9.655 1.00 23.21 C ATOM 1086 CD1 ILE A 632 -11.169 -1.912 6.025 1.00 13.34 C ATOM 0 H ILE A 632 -12.976 1.001 6.155 1.00 4.23 H new ATOM 0 HA ILE A 632 -13.997 -1.328 7.643 1.00 60.43 H new ATOM 0 HB ILE A 632 -11.309 0.061 7.842 1.00 51.03 H new ATOM 0 HG12 ILE A 632 -10.582 -2.376 8.022 1.00 14.34 H new ATOM 0 HG13 ILE A 632 -12.233 -2.821 7.635 1.00 14.34 H new ATOM 0 HG21 ILE A 632 -10.951 -1.090 9.992 1.00 23.21 H new ATOM 0 HG22 ILE A 632 -12.279 0.091 10.091 1.00 23.21 H new ATOM 0 HG23 ILE A 632 -12.641 -1.647 9.971 1.00 23.21 H new ATOM 0 HD11 ILE A 632 -10.821 -2.870 5.639 1.00 13.34 H new ATOM 0 HD12 ILE A 632 -12.069 -1.611 5.490 1.00 13.34 H new ATOM 0 HD13 ILE A 632 -10.393 -1.160 5.883 1.00 13.34 H new ATOM 1097 N ALA A 633 -13.284 1.668 8.873 1.00 60.43 N ATOM 1098 CA ALA A 633 -13.771 2.721 9.756 1.00 71.44 C ATOM 1099 C ALA A 633 -14.201 3.949 8.961 1.00 23.13 C ATOM 1100 O ALA A 633 -13.523 4.384 8.029 1.00 72.25 O ATOM 1101 CB ALA A 633 -12.702 3.095 10.772 1.00 20.43 C ATOM 0 H ALA A 633 -12.343 1.822 8.512 1.00 60.43 H new ATOM 0 HA ALA A 633 -14.644 2.341 10.287 1.00 71.44 H new ATOM 0 HB1 ALA A 633 -13.080 3.882 11.424 1.00 20.43 H new ATOM 0 HB2 ALA A 633 -12.446 2.220 11.370 1.00 20.43 H new ATOM 0 HB3 ALA A 633 -11.813 3.451 10.251 1.00 20.43 H new ATOM 1210 N PRO A 641 -8.836 12.164 -2.535 1.00 42.53 N ATOM 1211 CA PRO A 641 -9.552 11.015 -3.098 1.00 63.25 C ATOM 1212 C PRO A 641 -8.660 9.786 -3.231 1.00 54.54 C ATOM 1213 O PRO A 641 -7.627 9.826 -3.899 1.00 50.41 O ATOM 1214 CB PRO A 641 -9.990 11.511 -4.478 1.00 62.32 C ATOM 1215 CG PRO A 641 -9.006 12.574 -4.828 1.00 62.31 C ATOM 1216 CD PRO A 641 -8.625 13.229 -3.528 1.00 21.35 C ATOM 0 HA PRO A 641 -10.379 10.698 -2.463 1.00 63.25 H new ATOM 0 HB2 PRO A 641 -9.979 10.704 -5.211 1.00 62.32 H new ATOM 0 HB3 PRO A 641 -11.006 11.905 -4.453 1.00 62.32 H new ATOM 0 HG2 PRO A 641 -8.132 12.150 -5.322 1.00 62.31 H new ATOM 0 HG3 PRO A 641 -9.442 13.298 -5.517 1.00 62.31 H new ATOM 0 HD2 PRO A 641 -7.590 13.570 -3.538 1.00 21.35 H new ATOM 0 HD3 PRO A 641 -9.245 14.101 -3.320 1.00 21.35 H new ATOM 1221 N VAL A 642 -9.067 8.693 -2.592 1.00 31.04 N ATOM 1222 CA VAL A 642 -8.306 7.451 -2.642 1.00 42.40 C ATOM 1223 C VAL A 642 -8.782 6.559 -3.783 1.00 54.34 C ATOM 1224 O VAL A 642 -9.979 6.362 -3.991 1.00 75.25 O ATOM 1225 CB VAL A 642 -8.414 6.672 -1.317 1.00 21.43 C ATOM 1226 CG1 VAL A 642 -9.872 6.461 -0.940 1.00 71.15 C ATOM 1227 CG2 VAL A 642 -7.683 5.343 -1.420 1.00 64.12 C ATOM 0 H VAL A 642 -9.919 8.643 -2.034 1.00 31.04 H new ATOM 0 HA VAL A 642 -7.265 7.726 -2.810 1.00 42.40 H new ATOM 0 HB VAL A 642 -7.942 7.260 -0.530 1.00 21.43 H new ATOM 0 HG11 VAL A 642 -9.929 5.909 -0.002 1.00 71.15 H new ATOM 0 HG12 VAL A 642 -10.361 7.428 -0.823 1.00 71.15 H new ATOM 0 HG13 VAL A 642 -10.372 5.894 -1.725 1.00 71.15 H new ATOM 0 HG21 VAL A 642 -7.770 4.806 -0.475 1.00 64.12 H new ATOM 0 HG22 VAL A 642 -8.124 4.746 -2.218 1.00 64.12 H new ATOM 0 HG23 VAL A 642 -6.631 5.523 -1.640 1.00 64.12 H new ATOM 1237 N PRO A 643 -7.825 6.004 -4.540 1.00 24.22 N ATOM 1238 CA PRO A 643 -8.122 5.122 -5.673 1.00 73.50 C ATOM 1239 C PRO A 643 -8.685 3.777 -5.228 1.00 71.42 C ATOM 1240 O PRO A 643 -8.109 3.107 -4.372 1.00 53.13 O ATOM 1241 CB PRO A 643 -6.760 4.937 -6.345 1.00 2.12 C ATOM 1242 CG PRO A 643 -5.767 5.164 -5.258 1.00 32.41 C ATOM 1243 CD PRO A 643 -6.377 6.195 -4.350 1.00 21.33 C ATOM 0 HA PRO A 643 -8.882 5.544 -6.330 1.00 73.50 H new ATOM 0 HB2 PRO A 643 -6.661 3.938 -6.770 1.00 2.12 H new ATOM 0 HB3 PRO A 643 -6.622 5.646 -7.162 1.00 2.12 H new ATOM 0 HG2 PRO A 643 -5.562 4.240 -4.717 1.00 32.41 H new ATOM 0 HG3 PRO A 643 -4.817 5.514 -5.663 1.00 32.41 H new ATOM 0 HD2 PRO A 643 -6.084 6.040 -3.312 1.00 21.33 H new ATOM 0 HD3 PRO A 643 -6.066 7.204 -4.621 1.00 21.33 H new ATOM 1248 N GLN A 644 -9.813 3.389 -5.815 1.00 71.53 N ATOM 1249 CA GLN A 644 -10.453 2.124 -5.478 1.00 54.24 C ATOM 1250 C GLN A 644 -9.598 0.944 -5.929 1.00 62.41 C ATOM 1251 O GLN A 644 -9.747 -0.170 -5.428 1.00 1.51 O ATOM 1252 CB GLN A 644 -11.838 2.041 -6.123 1.00 45.13 C ATOM 1253 CG GLN A 644 -12.688 0.897 -5.591 1.00 73.20 C ATOM 1254 CD GLN A 644 -14.165 1.088 -5.875 1.00 54.22 C ATOM 1255 OE1 GLN A 644 -14.658 0.713 -6.940 1.00 74.13 O ATOM 1256 NE2 GLN A 644 -14.881 1.674 -4.922 1.00 62.15 N ATOM 0 H GLN A 644 -10.302 3.933 -6.526 1.00 71.53 H new ATOM 0 HA GLN A 644 -10.561 2.078 -4.394 1.00 54.24 H new ATOM 0 HB2 GLN A 644 -12.364 2.981 -5.958 1.00 45.13 H new ATOM 0 HB3 GLN A 644 -11.722 1.926 -7.201 1.00 45.13 H new ATOM 0 HG2 GLN A 644 -12.353 -0.038 -6.039 1.00 73.20 H new ATOM 0 HG3 GLN A 644 -12.537 0.807 -4.515 1.00 73.20 H new ATOM 0 HE21 GLN A 644 -14.432 1.969 -4.055 1.00 62.15 H new ATOM 0 HE22 GLN A 644 -15.880 1.829 -5.057 1.00 62.15 H new ATOM 1263 N ASP A 645 -8.702 1.198 -6.876 1.00 10.11 N ATOM 1264 CA ASP A 645 -7.822 0.157 -7.393 1.00 11.15 C ATOM 1265 C ASP A 645 -6.866 -0.335 -6.311 1.00 2.10 C ATOM 1266 O ASP A 645 -6.633 -1.537 -6.174 1.00 22.30 O ATOM 1267 CB ASP A 645 -7.028 0.679 -8.593 1.00 71.13 C ATOM 1268 CG ASP A 645 -6.489 -0.439 -9.462 1.00 22.24 C ATOM 1269 OD1 ASP A 645 -6.197 -1.525 -8.919 1.00 3.51 O ATOM 1270 OD2 ASP A 645 -6.358 -0.228 -10.686 1.00 44.11 O ATOM 0 H ASP A 645 -8.566 2.115 -7.301 1.00 10.11 H new ATOM 0 HA ASP A 645 -8.442 -0.681 -7.713 1.00 11.15 H new ATOM 0 HB2 ASP A 645 -7.667 1.326 -9.194 1.00 71.13 H new ATOM 0 HB3 ASP A 645 -6.199 1.291 -8.238 1.00 71.13 H new ATOM 1274 N LEU A 646 -6.316 0.600 -5.546 1.00 22.23 N ATOM 1275 CA LEU A 646 -5.384 0.262 -4.475 1.00 72.23 C ATOM 1276 C LEU A 646 -6.123 -0.316 -3.273 1.00 24.41 C ATOM 1277 O LEU A 646 -5.657 -1.266 -2.643 1.00 41.13 O ATOM 1278 CB LEU A 646 -4.590 1.500 -4.053 1.00 2.25 C ATOM 1279 CG LEU A 646 -3.940 2.297 -5.185 1.00 74.22 C ATOM 1280 CD1 LEU A 646 -3.064 3.406 -4.622 1.00 71.41 C ATOM 1281 CD2 LEU A 646 -3.128 1.379 -6.087 1.00 60.30 C ATOM 0 H LEU A 646 -6.499 1.598 -5.647 1.00 22.23 H new ATOM 0 HA LEU A 646 -4.694 -0.493 -4.852 1.00 72.23 H new ATOM 0 HB2 LEU A 646 -5.256 2.165 -3.503 1.00 2.25 H new ATOM 0 HB3 LEU A 646 -3.809 1.188 -3.360 1.00 2.25 H new ATOM 0 HG LEU A 646 -4.730 2.753 -5.782 1.00 74.22 H new ATOM 0 HD11 LEU A 646 -2.610 3.962 -5.442 1.00 71.41 H new ATOM 0 HD12 LEU A 646 -3.673 4.080 -4.019 1.00 71.41 H new ATOM 0 HD13 LEU A 646 -2.281 2.971 -4.001 1.00 71.41 H new ATOM 0 HD21 LEU A 646 -2.673 1.964 -6.886 1.00 60.30 H new ATOM 0 HD22 LEU A 646 -2.346 0.893 -5.503 1.00 60.30 H new ATOM 0 HD23 LEU A 646 -3.782 0.621 -6.519 1.00 60.30 H new ATOM 1292 N LEU A 647 -7.278 0.263 -2.960 1.00 5.43 N ATOM 1293 CA LEU A 647 -8.083 -0.196 -1.834 1.00 63.00 C ATOM 1294 C LEU A 647 -8.659 -1.583 -2.105 1.00 64.11 C ATOM 1295 O LEU A 647 -8.738 -2.419 -1.205 1.00 12.05 O ATOM 1296 CB LEU A 647 -9.216 0.792 -1.556 1.00 72.54 C ATOM 1297 CG LEU A 647 -8.794 2.170 -1.042 1.00 20.02 C ATOM 1298 CD1 LEU A 647 -10.015 3.004 -0.686 1.00 74.32 C ATOM 1299 CD2 LEU A 647 -7.872 2.031 0.160 1.00 5.22 C ATOM 0 H LEU A 647 -7.677 1.051 -3.470 1.00 5.43 H new ATOM 0 HA LEU A 647 -7.437 -0.256 -0.958 1.00 63.00 H new ATOM 0 HB2 LEU A 647 -9.786 0.928 -2.475 1.00 72.54 H new ATOM 0 HB3 LEU A 647 -9.890 0.345 -0.826 1.00 72.54 H new ATOM 0 HG LEU A 647 -8.249 2.681 -1.836 1.00 20.02 H new ATOM 0 HD11 LEU A 647 -9.695 3.981 -0.322 1.00 74.32 H new ATOM 0 HD12 LEU A 647 -10.638 3.133 -1.571 1.00 74.32 H new ATOM 0 HD13 LEU A 647 -10.588 2.497 0.091 1.00 74.32 H new ATOM 0 HD21 LEU A 647 -7.582 3.021 0.512 1.00 5.22 H new ATOM 0 HD22 LEU A 647 -8.391 1.500 0.958 1.00 5.22 H new ATOM 0 HD23 LEU A 647 -6.981 1.473 -0.127 1.00 5.22 H new ATOM 1310 N ASP A 648 -9.055 -1.820 -3.350 1.00 75.22 N ATOM 1311 CA ASP A 648 -9.620 -3.106 -3.741 1.00 43.53 C ATOM 1312 C ASP A 648 -8.537 -4.178 -3.809 1.00 63.33 C ATOM 1313 O ASP A 648 -8.798 -5.355 -3.562 1.00 0.32 O ATOM 1314 CB ASP A 648 -10.324 -2.989 -5.095 1.00 63.40 C ATOM 1315 CG ASP A 648 -11.125 -4.229 -5.440 1.00 60.40 C ATOM 1316 OD1 ASP A 648 -11.565 -4.931 -4.505 1.00 24.22 O ATOM 1317 OD2 ASP A 648 -11.314 -4.496 -6.644 1.00 32.35 O ATOM 0 H ASP A 648 -8.995 -1.138 -4.106 1.00 75.22 H new ATOM 0 HA ASP A 648 -10.349 -3.398 -2.985 1.00 43.53 H new ATOM 0 HB2 ASP A 648 -10.987 -2.124 -5.083 1.00 63.40 H new ATOM 0 HB3 ASP A 648 -9.582 -2.811 -5.873 1.00 63.40 H new ATOM 1321 N ARG A 649 -7.319 -3.761 -4.144 1.00 54.11 N ATOM 1322 CA ARG A 649 -6.196 -4.685 -4.246 1.00 14.00 C ATOM 1323 C ARG A 649 -5.706 -5.100 -2.862 1.00 73.33 C ATOM 1324 O ARG A 649 -5.527 -6.286 -2.584 1.00 11.30 O ATOM 1325 CB ARG A 649 -5.052 -4.046 -5.033 1.00 73.31 C ATOM 1326 CG ARG A 649 -5.264 -4.061 -6.538 1.00 4.10 C ATOM 1327 CD ARG A 649 -4.984 -5.436 -7.126 1.00 25.31 C ATOM 1328 NE ARG A 649 -6.190 -6.256 -7.196 1.00 4.51 N ATOM 1329 CZ ARG A 649 -7.181 -6.034 -8.051 1.00 32.31 C ATOM 1330 NH1 ARG A 649 -7.112 -5.022 -8.903 1.00 30.54 N ATOM 1331 NH2 ARG A 649 -8.246 -6.826 -8.055 1.00 33.41 N ATOM 0 H ARG A 649 -7.086 -2.789 -4.349 1.00 54.11 H new ATOM 0 HA ARG A 649 -6.538 -5.575 -4.774 1.00 14.00 H new ATOM 0 HB2 ARG A 649 -4.927 -3.015 -4.703 1.00 73.31 H new ATOM 0 HB3 ARG A 649 -4.125 -4.570 -4.800 1.00 73.31 H new ATOM 0 HG2 ARG A 649 -6.289 -3.769 -6.765 1.00 4.10 H new ATOM 0 HG3 ARG A 649 -4.611 -3.324 -7.006 1.00 4.10 H new ATOM 0 HD2 ARG A 649 -4.563 -5.324 -8.125 1.00 25.31 H new ATOM 0 HD3 ARG A 649 -4.235 -5.944 -6.519 1.00 25.31 H new ATOM 0 HE ARG A 649 -6.276 -7.043 -6.553 1.00 4.51 H new ATOM 0 HH11 ARG A 649 -6.296 -4.410 -8.903 1.00 30.54 H new ATOM 0 HH12 ARG A 649 -7.875 -4.854 -9.559 1.00 30.54 H new ATOM 0 HH21 ARG A 649 -8.304 -7.606 -7.401 1.00 33.41 H new ATOM 0 HH22 ARG A 649 -9.007 -6.654 -8.712 1.00 33.41 H new ATOM 1342 N VAL A 650 -5.491 -4.114 -1.996 1.00 54.53 N ATOM 1343 CA VAL A 650 -5.022 -4.377 -0.640 1.00 55.33 C ATOM 1344 C VAL A 650 -6.011 -5.253 0.123 1.00 23.41 C ATOM 1345 O VAL A 650 -5.618 -6.062 0.964 1.00 23.15 O ATOM 1346 CB VAL A 650 -4.804 -3.068 0.141 1.00 21.24 C ATOM 1347 CG1 VAL A 650 -6.106 -2.596 0.769 1.00 51.44 C ATOM 1348 CG2 VAL A 650 -3.729 -3.253 1.201 1.00 3.12 C ATOM 0 H VAL A 650 -5.634 -3.127 -2.209 1.00 54.53 H new ATOM 0 HA VAL A 650 -4.070 -4.901 -0.729 1.00 55.33 H new ATOM 0 HB VAL A 650 -4.467 -2.302 -0.557 1.00 21.24 H new ATOM 0 HG11 VAL A 650 -5.931 -1.670 1.316 1.00 51.44 H new ATOM 0 HG12 VAL A 650 -6.845 -2.421 -0.013 1.00 51.44 H new ATOM 0 HG13 VAL A 650 -6.477 -3.358 1.454 1.00 51.44 H new ATOM 0 HG21 VAL A 650 -3.588 -2.318 1.743 1.00 3.12 H new ATOM 0 HG22 VAL A 650 -4.035 -4.034 1.897 1.00 3.12 H new ATOM 0 HG23 VAL A 650 -2.792 -3.540 0.723 1.00 3.12 H new ATOM 1358 N LEU A 651 -7.294 -5.085 -0.175 1.00 70.51 N ATOM 1359 CA LEU A 651 -8.340 -5.860 0.483 1.00 10.13 C ATOM 1360 C LEU A 651 -8.309 -7.315 0.023 1.00 71.35 C ATOM 1361 O LEU A 651 -8.438 -8.234 0.831 1.00 72.40 O ATOM 1362 CB LEU A 651 -9.713 -5.251 0.193 1.00 4.20 C ATOM 1363 CG LEU A 651 -10.154 -4.120 1.124 1.00 5.13 C ATOM 1364 CD1 LEU A 651 -11.506 -3.574 0.694 1.00 72.34 C ATOM 1365 CD2 LEU A 651 -10.207 -4.605 2.565 1.00 1.35 C ATOM 0 H LEU A 651 -7.635 -4.419 -0.868 1.00 70.51 H new ATOM 0 HA LEU A 651 -8.157 -5.833 1.557 1.00 10.13 H new ATOM 0 HB2 LEU A 651 -9.713 -4.874 -0.830 1.00 4.20 H new ATOM 0 HB3 LEU A 651 -10.458 -6.045 0.240 1.00 4.20 H new ATOM 0 HG LEU A 651 -9.422 -3.315 1.060 1.00 5.13 H new ATOM 0 HD11 LEU A 651 -11.805 -2.770 1.367 1.00 72.34 H new ATOM 0 HD12 LEU A 651 -11.436 -3.188 -0.323 1.00 72.34 H new ATOM 0 HD13 LEU A 651 -12.248 -4.371 0.729 1.00 72.34 H new ATOM 0 HD21 LEU A 651 -10.523 -3.787 3.213 1.00 1.35 H new ATOM 0 HD22 LEU A 651 -10.918 -5.427 2.646 1.00 1.35 H new ATOM 0 HD23 LEU A 651 -9.219 -4.949 2.870 1.00 1.35 H new ATOM 1376 N ALA A 652 -8.136 -7.515 -1.279 1.00 11.50 N ATOM 1377 CA ALA A 652 -8.084 -8.857 -1.845 1.00 1.32 C ATOM 1378 C ALA A 652 -6.913 -9.649 -1.274 1.00 14.23 C ATOM 1379 O ALA A 652 -7.047 -10.830 -0.955 1.00 14.04 O ATOM 1380 CB ALA A 652 -7.987 -8.787 -3.362 1.00 32.12 C ATOM 0 H ALA A 652 -8.029 -6.765 -1.962 1.00 11.50 H new ATOM 0 HA ALA A 652 -9.005 -9.374 -1.574 1.00 1.32 H new ATOM 0 HB1 ALA A 652 -7.949 -9.797 -3.771 1.00 32.12 H new ATOM 0 HB2 ALA A 652 -8.859 -8.267 -3.759 1.00 32.12 H new ATOM 0 HB3 ALA A 652 -7.083 -8.247 -3.644 1.00 32.12 H new ATOM 1386 N ALA A 653 -5.765 -8.991 -1.149 1.00 41.40 N ATOM 1387 CA ALA A 653 -4.571 -9.634 -0.615 1.00 42.35 C ATOM 1388 C ALA A 653 -4.660 -9.786 0.900 1.00 64.32 C ATOM 1389 O ALA A 653 -4.353 -10.846 1.447 1.00 12.24 O ATOM 1390 CB ALA A 653 -3.330 -8.841 -0.996 1.00 4.21 C ATOM 0 H ALA A 653 -5.637 -8.013 -1.410 1.00 41.40 H new ATOM 0 HA ALA A 653 -4.500 -10.631 -1.050 1.00 42.35 H new ATOM 0 HB1 ALA A 653 -2.446 -9.332 -0.591 1.00 4.21 H new ATOM 0 HB2 ALA A 653 -3.251 -8.789 -2.082 1.00 4.21 H new ATOM 0 HB3 ALA A 653 -3.403 -7.833 -0.589 1.00 4.21 H new ATOM 1396 N HIS A 654 -5.080 -8.720 1.573 1.00 54.13 N ATOM 1397 CA HIS A 654 -5.209 -8.735 3.026 1.00 42.32 C ATOM 1398 C HIS A 654 -6.095 -9.891 3.481 1.00 11.35 C ATOM 1399 O HIS A 654 -5.740 -10.635 4.395 1.00 43.44 O ATOM 1400 CB HIS A 654 -5.787 -7.409 3.522 1.00 44.45 C ATOM 1401 CG HIS A 654 -6.084 -7.398 4.990 1.00 31.25 C ATOM 1402 ND1 HIS A 654 -5.195 -6.929 5.934 1.00 50.12 N ATOM 1403 CD2 HIS A 654 -7.181 -7.799 5.675 1.00 22.22 C ATOM 1404 CE1 HIS A 654 -5.731 -7.044 7.136 1.00 55.51 C ATOM 1405 NE2 HIS A 654 -6.936 -7.569 7.006 1.00 72.34 N ATOM 0 H HIS A 654 -5.337 -7.835 1.136 1.00 54.13 H new ATOM 0 HA HIS A 654 -4.215 -8.872 3.453 1.00 42.32 H new ATOM 0 HB2 HIS A 654 -5.083 -6.608 3.296 1.00 44.45 H new ATOM 0 HB3 HIS A 654 -6.703 -7.193 2.972 1.00 44.45 H new ATOM 0 HD2 HIS A 654 -8.081 -8.221 5.253 1.00 22.22 H new ATOM 0 HE1 HIS A 654 -5.263 -6.758 8.066 1.00 55.51 H new ATOM 0 HE2 HIS A 654 -7.580 -7.771 7.771 1.00 72.34 H new ATOM 1412 N ALA A 655 -7.248 -10.036 2.836 1.00 43.44 N ATOM 1413 CA ALA A 655 -8.184 -11.102 3.174 1.00 3.13 C ATOM 1414 C ALA A 655 -7.605 -12.470 2.827 1.00 62.32 C ATOM 1415 O ALA A 655 -7.662 -13.401 3.631 1.00 53.10 O ATOM 1416 CB ALA A 655 -9.507 -10.890 2.455 1.00 73.34 C ATOM 0 H ALA A 655 -7.556 -9.429 2.077 1.00 43.44 H new ATOM 0 HA ALA A 655 -8.359 -11.072 4.249 1.00 3.13 H new ATOM 0 HB1 ALA A 655 -10.196 -11.693 2.717 1.00 73.34 H new ATOM 0 HB2 ALA A 655 -9.935 -9.933 2.754 1.00 73.34 H new ATOM 0 HB3 ALA A 655 -9.340 -10.892 1.378 1.00 73.34 H new ATOM 1422 N TYR A 656 -7.048 -12.584 1.626 1.00 41.35 N ATOM 1423 CA TYR A 656 -6.463 -13.841 1.172 1.00 70.44 C ATOM 1424 C TYR A 656 -5.383 -14.318 2.138 1.00 2.05 C ATOM 1425 O TYR A 656 -5.379 -15.474 2.559 1.00 44.43 O ATOM 1426 CB TYR A 656 -5.873 -13.674 -0.230 1.00 42.23 C ATOM 1427 CG TYR A 656 -5.130 -14.896 -0.722 1.00 25.10 C ATOM 1428 CD1 TYR A 656 -5.815 -15.994 -1.227 1.00 34.32 C ATOM 1429 CD2 TYR A 656 -3.742 -14.952 -0.683 1.00 3.20 C ATOM 1430 CE1 TYR A 656 -5.141 -17.112 -1.679 1.00 60.05 C ATOM 1431 CE2 TYR A 656 -3.059 -16.065 -1.132 1.00 11.32 C ATOM 1432 CZ TYR A 656 -3.763 -17.143 -1.628 1.00 21.33 C ATOM 1433 OH TYR A 656 -3.087 -18.254 -2.077 1.00 11.32 O ATOM 0 H TYR A 656 -6.989 -11.822 0.950 1.00 41.35 H new ATOM 0 HA TYR A 656 -7.253 -14.591 1.140 1.00 70.44 H new ATOM 0 HB2 TYR A 656 -6.677 -13.442 -0.928 1.00 42.23 H new ATOM 0 HB3 TYR A 656 -5.194 -12.821 -0.231 1.00 42.23 H new ATOM 0 HD1 TYR A 656 -6.894 -15.973 -1.267 1.00 34.32 H new ATOM 0 HD2 TYR A 656 -3.188 -14.110 -0.295 1.00 3.20 H new ATOM 0 HE1 TYR A 656 -5.690 -17.956 -2.070 1.00 60.05 H new ATOM 0 HE2 TYR A 656 -1.980 -16.092 -1.095 1.00 11.32 H new ATOM 0 HH TYR A 656 -2.123 -18.114 -1.973 1.00 11.32 H new ATOM 1442 N TRP A 657 -4.468 -13.419 2.483 1.00 72.32 N ATOM 1443 CA TRP A 657 -3.382 -13.747 3.400 1.00 50.21 C ATOM 1444 C TRP A 657 -3.906 -13.938 4.819 1.00 53.24 C ATOM 1445 O TRP A 657 -3.443 -14.814 5.549 1.00 12.12 O ATOM 1446 CB TRP A 657 -2.320 -12.646 3.380 1.00 53.00 C ATOM 1447 CG TRP A 657 -1.588 -12.552 2.075 1.00 45.14 C ATOM 1448 CD1 TRP A 657 -1.528 -11.468 1.245 1.00 43.44 C ATOM 1449 CD2 TRP A 657 -0.813 -13.581 1.450 1.00 42.22 C ATOM 1450 NE1 TRP A 657 -0.763 -11.762 0.142 1.00 40.43 N ATOM 1451 CE2 TRP A 657 -0.312 -13.052 0.245 1.00 54.25 C ATOM 1452 CE3 TRP A 657 -0.492 -14.897 1.793 1.00 12.21 C ATOM 1453 CZ2 TRP A 657 0.490 -13.795 -0.617 1.00 53.04 C ATOM 1454 CZ3 TRP A 657 0.303 -15.633 0.937 1.00 2.44 C ATOM 1455 CH2 TRP A 657 0.788 -15.081 -0.258 1.00 45.45 C ATOM 0 H TRP A 657 -4.456 -12.458 2.142 1.00 72.32 H new ATOM 0 HA TRP A 657 -2.932 -14.683 3.070 1.00 50.21 H new ATOM 0 HB2 TRP A 657 -2.795 -11.688 3.592 1.00 53.00 H new ATOM 0 HB3 TRP A 657 -1.602 -12.829 4.179 1.00 53.00 H new ATOM 0 HD1 TRP A 657 -2.011 -10.520 1.429 1.00 43.44 H new ATOM 0 HE1 TRP A 657 -0.563 -11.124 -0.628 1.00 40.43 H new ATOM 0 HE3 TRP A 657 -0.859 -15.331 2.711 1.00 12.21 H new ATOM 0 HZ2 TRP A 657 0.864 -13.371 -1.537 1.00 53.04 H new ATOM 0 HZ3 TRP A 657 0.556 -16.652 1.192 1.00 2.44 H new ATOM 0 HH2 TRP A 657 1.408 -15.682 -0.906 1.00 45.45 H new ATOM 1465 N SER A 658 -4.876 -13.114 5.204 1.00 23.54 N ATOM 1466 CA SER A 658 -5.460 -13.190 6.537 1.00 22.32 C ATOM 1467 C SER A 658 -5.951 -14.604 6.835 1.00 22.32 C ATOM 1468 O SER A 658 -5.899 -15.061 7.976 1.00 53.44 O ATOM 1469 CB SER A 658 -6.618 -12.199 6.668 1.00 34.12 C ATOM 1470 OG SER A 658 -6.153 -10.921 7.065 1.00 23.31 O ATOM 0 H SER A 658 -5.274 -12.386 4.611 1.00 23.54 H new ATOM 0 HA SER A 658 -4.686 -12.932 7.260 1.00 22.32 H new ATOM 0 HB2 SER A 658 -7.142 -12.119 5.715 1.00 34.12 H new ATOM 0 HB3 SER A 658 -7.338 -12.570 7.397 1.00 34.12 H new ATOM 0 HG SER A 658 -5.862 -10.419 6.275 1.00 23.31 H new ATOM 1475 N GLN A 659 -6.424 -15.289 5.799 1.00 41.13 N ATOM 1476 CA GLN A 659 -6.925 -16.651 5.950 1.00 21.52 C ATOM 1477 C GLN A 659 -5.856 -17.560 6.547 1.00 5.34 C ATOM 1478 O GLN A 659 -6.168 -18.591 7.143 1.00 61.35 O ATOM 1479 CB GLN A 659 -7.381 -17.201 4.598 1.00 72.44 C ATOM 1480 CG GLN A 659 -8.704 -16.622 4.122 1.00 12.22 C ATOM 1481 CD GLN A 659 -9.848 -16.924 5.069 1.00 31.11 C ATOM 1482 OE1 GLN A 659 -9.706 -17.715 6.002 1.00 25.41 O ATOM 1483 NE2 GLN A 659 -10.994 -16.294 4.833 1.00 43.00 N ATOM 0 H GLN A 659 -6.471 -14.925 4.848 1.00 41.13 H new ATOM 0 HA GLN A 659 -7.776 -16.626 6.630 1.00 21.52 H new ATOM 0 HB2 GLN A 659 -6.613 -16.993 3.853 1.00 72.44 H new ATOM 0 HB3 GLN A 659 -7.472 -18.285 4.668 1.00 72.44 H new ATOM 0 HG2 GLN A 659 -8.605 -15.542 4.011 1.00 12.22 H new ATOM 0 HG3 GLN A 659 -8.938 -17.023 3.136 1.00 12.22 H new ATOM 0 HE21 GLN A 659 -11.068 -15.646 4.048 1.00 43.00 H new ATOM 0 HE22 GLN A 659 -11.800 -16.458 5.436 1.00 43.00 H new