USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 802 ASN : amide:sc= -0.0671 X(o=-0.067,f=-0.0013) USER MOD Single : A 804 GLN : amide:sc= 0.0824 X(o=0.082,f=0) USER MOD Single : A 806 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=0.00047) USER MOD Single : A 808 SER OG : rot -100:sc= 0.509 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot 26:sc= -0.49 USER MOD Single : A 817 THR OG1 : rot -63:sc= 1.24 USER MOD Single : A 823 LYS NZ :NH3+ -119:sc= 0.318 (180deg=-0.00757) USER MOD Single : A 826 TYR OH : rot 95:sc= 0.0209 USER MOD Single : A 827 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 831 THR OG1 : rot 180:sc= 0.0835 USER MOD Single : A 832 SER OG : rot 180:sc= -0.0718 USER MOD Single : A 839 GLN : amide:sc= 0.821 K(o=0.82,f=-5.8!) USER MOD Single : A 840 THR OG1 : rot -72:sc= 0.908 USER MOD Single : A 842 HIS : no HE2:sc= 0.95 K(o=0.95,f=-6.1!) USER MOD Single : A 845 LYS NZ :NH3+ -121:sc= 1.24 (180deg=-0.238) USER MOD Single : A 850 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 852 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 857 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.912) USER MOD Single : A 858 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 860 CYS SG : rot 60:sc= -0.0447 USER MOD Single : A 862 THR OG1 : rot 73:sc= 0.758 USER MOD Single : A 865 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-1.7) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 878 TYR OH : rot 30:sc= 0 USER MOD Single : A 880 SER OG : rot 67:sc= 1.22 USER MOD Single : A 884 SER OG : rot -92:sc= -0.221 USER MOD Single : A 885 TYR OH : rot 180:sc= 0 USER MOD Single : A 887 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 888 SER OG : rot -71:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -8.249 -8.838 1.314 1.00 0.00 N ATOM 407 CA ASN A 802 -8.323 -9.427 -0.020 1.00 0.00 C ATOM 408 C ASN A 802 -9.391 -8.724 -0.857 1.00 0.00 C ATOM 409 O ASN A 802 -9.146 -8.349 -2.009 1.00 0.00 O ATOM 410 CB ASN A 802 -8.608 -10.933 0.085 1.00 0.00 C ATOM 411 CG ASN A 802 -9.658 -11.423 -0.901 1.00 0.00 C ATOM 412 OD1 ASN A 802 -9.358 -11.700 -2.063 1.00 0.00 O ATOM 413 ND2 ASN A 802 -10.894 -11.533 -0.441 1.00 0.00 N ATOM 0 HA ASN A 802 -7.364 -9.293 -0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -7.681 -11.482 -0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -8.938 -11.162 1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -11.640 -11.858 -1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -11.101 -11.293 0.529 1.00 0.00 H new ATOM 420 N ALA A 803 -10.569 -8.531 -0.268 1.00 0.00 N ATOM 421 CA ALA A 803 -11.658 -7.841 -0.942 1.00 0.00 C ATOM 422 C ALA A 803 -11.277 -6.394 -1.225 1.00 0.00 C ATOM 423 O ALA A 803 -11.540 -5.873 -2.312 1.00 0.00 O ATOM 424 CB ALA A 803 -12.927 -7.904 -0.106 1.00 0.00 C ATOM 0 H ALA A 803 -10.791 -8.845 0.677 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.847 -8.340 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.731 -7.383 -0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -13.210 -8.945 0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -12.751 -7.429 0.859 1.00 0.00 H new ATOM 430 N GLN A 804 -10.645 -5.762 -0.242 1.00 0.00 N ATOM 431 CA GLN A 804 -10.159 -4.395 -0.378 1.00 0.00 C ATOM 432 C GLN A 804 -9.211 -4.285 -1.567 1.00 0.00 C ATOM 433 O GLN A 804 -9.424 -3.471 -2.467 1.00 0.00 O ATOM 434 CB GLN A 804 -9.441 -3.968 0.904 1.00 0.00 C ATOM 435 CG GLN A 804 -9.615 -2.500 1.247 1.00 0.00 C ATOM 436 CD GLN A 804 -9.466 -2.233 2.731 1.00 0.00 C ATOM 437 OE1 GLN A 804 -10.355 -2.550 3.525 1.00 0.00 O ATOM 438 NE2 GLN A 804 -8.338 -1.652 3.114 1.00 0.00 N ATOM 0 H GLN A 804 -10.456 -6.182 0.668 1.00 0.00 H new ATOM 0 HA GLN A 804 -11.010 -3.736 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -9.810 -4.571 1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -8.377 -4.184 0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -8.879 -1.912 0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -10.599 -2.167 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -7.630 -1.407 2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -8.178 -1.450 4.101 1.00 0.00 H new ATOM 447 N LEU A 805 -8.178 -5.126 -1.564 1.00 0.00 N ATOM 448 CA LEU A 805 -7.194 -5.166 -2.635 1.00 0.00 C ATOM 449 C LEU A 805 -7.861 -5.323 -3.996 1.00 0.00 C ATOM 450 O LEU A 805 -7.563 -4.589 -4.939 1.00 0.00 O ATOM 451 CB LEU A 805 -6.234 -6.336 -2.407 1.00 0.00 C ATOM 452 CG LEU A 805 -4.892 -5.992 -1.772 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.837 -4.535 -1.331 1.00 0.00 C ATOM 454 CD2 LEU A 805 -4.602 -6.919 -0.601 1.00 0.00 C ATOM 0 H LEU A 805 -8.003 -5.798 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 805 -6.647 -4.223 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.733 -7.071 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -6.046 -6.816 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 805 -4.121 -6.135 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.865 -4.327 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.984 -3.887 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -5.622 -4.347 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -3.640 -6.658 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.385 -6.813 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -4.573 -7.950 -0.952 1.00 0.00 H new ATOM 466 N HIS A 806 -8.773 -6.280 -4.080 1.00 0.00 N ATOM 467 CA HIS A 806 -9.429 -6.613 -5.337 1.00 0.00 C ATOM 468 C HIS A 806 -10.291 -5.458 -5.843 1.00 0.00 C ATOM 469 O HIS A 806 -10.078 -4.948 -6.942 1.00 0.00 O ATOM 470 CB HIS A 806 -10.308 -7.853 -5.160 1.00 0.00 C ATOM 471 CG HIS A 806 -9.600 -9.151 -5.393 1.00 0.00 C ATOM 472 ND1 HIS A 806 -10.191 -10.215 -6.028 1.00 0.00 N ATOM 473 CD2 HIS A 806 -8.351 -9.560 -5.064 1.00 0.00 C ATOM 474 CE1 HIS A 806 -9.346 -11.223 -6.079 1.00 0.00 C ATOM 475 NE2 HIS A 806 -8.219 -10.854 -5.501 1.00 0.00 N ATOM 0 H HIS A 806 -9.078 -6.844 -3.286 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.648 -6.811 -6.071 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -10.717 -7.852 -4.150 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -11.153 -7.786 -5.846 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -7.599 -8.976 -4.553 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -9.542 -12.189 -6.520 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -7.387 -11.435 -5.396 1.00 0.00 H new ATOM 484 N ALA A 807 -11.244 -5.038 -5.015 1.00 0.00 N ATOM 485 CA ALA A 807 -12.276 -4.090 -5.427 1.00 0.00 C ATOM 486 C ALA A 807 -11.711 -2.708 -5.749 1.00 0.00 C ATOM 487 O ALA A 807 -12.220 -2.018 -6.634 1.00 0.00 O ATOM 488 CB ALA A 807 -13.343 -3.981 -4.348 1.00 0.00 C ATOM 0 H ALA A 807 -11.323 -5.343 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.718 -4.476 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.108 -3.272 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.798 -4.958 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.888 -3.635 -3.420 1.00 0.00 H new ATOM 494 N SER A 808 -10.670 -2.295 -5.036 1.00 0.00 N ATOM 495 CA SER A 808 -10.099 -0.968 -5.248 1.00 0.00 C ATOM 496 C SER A 808 -9.233 -0.935 -6.504 1.00 0.00 C ATOM 497 O SER A 808 -8.896 0.134 -7.016 1.00 0.00 O ATOM 498 CB SER A 808 -9.268 -0.551 -4.036 1.00 0.00 C ATOM 499 OG SER A 808 -8.278 -1.522 -3.746 1.00 0.00 O ATOM 0 H SER A 808 -10.208 -2.850 -4.315 1.00 0.00 H new ATOM 0 HA SER A 808 -10.922 -0.266 -5.380 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.794 0.412 -4.228 1.00 0.00 H new ATOM 0 HB3 SER A 808 -9.919 -0.419 -3.171 1.00 0.00 H new ATOM 0 HG SER A 808 -8.579 -2.084 -3.002 1.00 0.00 H new ATOM 505 N GLY A 809 -8.874 -2.114 -6.998 1.00 0.00 N ATOM 506 CA GLY A 809 -7.980 -2.201 -8.133 1.00 0.00 C ATOM 507 C GLY A 809 -6.531 -2.063 -7.716 1.00 0.00 C ATOM 508 O GLY A 809 -5.628 -2.030 -8.555 1.00 0.00 O ATOM 0 H GLY A 809 -9.188 -3.012 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.124 -3.156 -8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.228 -1.420 -8.852 1.00 0.00 H new ATOM 512 N TYR A 810 -6.314 -2.000 -6.407 1.00 0.00 N ATOM 513 CA TYR A 810 -4.974 -1.859 -5.853 1.00 0.00 C ATOM 514 C TYR A 810 -4.266 -3.203 -5.819 1.00 0.00 C ATOM 515 O TYR A 810 -3.082 -3.278 -5.491 1.00 0.00 O ATOM 516 CB TYR A 810 -5.034 -1.275 -4.444 1.00 0.00 C ATOM 517 CG TYR A 810 -4.790 0.217 -4.394 1.00 0.00 C ATOM 518 CD1 TYR A 810 -3.654 0.777 -4.969 1.00 0.00 C ATOM 519 CD2 TYR A 810 -5.694 1.066 -3.770 1.00 0.00 C ATOM 520 CE1 TYR A 810 -3.428 2.139 -4.921 1.00 0.00 C ATOM 521 CE2 TYR A 810 -5.478 2.429 -3.718 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.343 2.961 -4.296 1.00 0.00 C ATOM 523 OH TYR A 810 -4.122 4.320 -4.250 1.00 0.00 O ATOM 0 H TYR A 810 -7.054 -2.045 -5.707 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.414 -1.179 -6.495 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -6.012 -1.489 -4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -4.294 -1.776 -3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -2.937 0.137 -5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -6.583 0.653 -3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -2.540 2.558 -5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -6.192 3.074 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 810 -4.861 4.756 -3.776 1.00 0.00 H new ATOM 533 N TYR A 811 -4.999 -4.263 -6.153 1.00 0.00 N ATOM 534 CA TYR A 811 -4.420 -5.597 -6.223 1.00 0.00 C ATOM 535 C TYR A 811 -3.248 -5.611 -7.195 1.00 0.00 C ATOM 536 O TYR A 811 -2.258 -6.303 -6.972 1.00 0.00 O ATOM 537 CB TYR A 811 -5.460 -6.637 -6.645 1.00 0.00 C ATOM 538 CG TYR A 811 -5.105 -8.037 -6.195 1.00 0.00 C ATOM 539 CD1 TYR A 811 -4.999 -8.345 -4.845 1.00 0.00 C ATOM 540 CD2 TYR A 811 -4.860 -9.046 -7.117 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.663 -9.617 -4.425 1.00 0.00 C ATOM 542 CE2 TYR A 811 -4.519 -10.322 -6.707 1.00 0.00 C ATOM 543 CZ TYR A 811 -4.423 -10.601 -5.360 1.00 0.00 C ATOM 544 OH TYR A 811 -4.082 -11.871 -4.949 1.00 0.00 O ATOM 0 H TYR A 811 -5.993 -4.221 -6.379 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.066 -5.859 -5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.430 -6.362 -6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.561 -6.624 -7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -5.183 -7.575 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -4.937 -8.831 -8.172 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -4.589 -9.839 -3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -4.329 -11.095 -7.437 1.00 0.00 H new ATOM 0 HH TYR A 811 -4.440 -12.032 -4.051 1.00 0.00 H new ATOM 554 N ALA A 812 -3.365 -4.821 -8.258 1.00 0.00 N ATOM 555 CA ALA A 812 -2.296 -4.683 -9.238 1.00 0.00 C ATOM 556 C ALA A 812 -1.026 -4.164 -8.577 1.00 0.00 C ATOM 557 O ALA A 812 0.059 -4.690 -8.802 1.00 0.00 O ATOM 558 CB ALA A 812 -2.725 -3.746 -10.352 1.00 0.00 C ATOM 0 H ALA A 812 -4.195 -4.264 -8.462 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.088 -5.665 -9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.918 -3.651 -11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.611 -4.148 -10.844 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.955 -2.766 -9.935 1.00 0.00 H new ATOM 564 N LEU A 813 -1.176 -3.136 -7.750 1.00 0.00 N ATOM 565 CA LEU A 813 -0.050 -2.562 -7.021 1.00 0.00 C ATOM 566 C LEU A 813 0.463 -3.564 -5.987 1.00 0.00 C ATOM 567 O LEU A 813 1.672 -3.714 -5.782 1.00 0.00 O ATOM 568 CB LEU A 813 -0.489 -1.262 -6.333 1.00 0.00 C ATOM 569 CG LEU A 813 0.630 -0.290 -5.921 1.00 0.00 C ATOM 570 CD1 LEU A 813 0.859 -0.355 -4.420 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.922 -0.574 -6.675 1.00 0.00 C ATOM 0 H LEU A 813 -2.070 -2.681 -7.567 1.00 0.00 H new ATOM 0 HA LEU A 813 0.756 -2.336 -7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.169 -0.735 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -1.059 -1.524 -5.441 1.00 0.00 H new ATOM 0 HG LEU A 813 0.312 0.719 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 813 1.653 0.338 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -0.059 -0.082 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 813 1.147 -1.368 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 813 2.690 0.132 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 813 2.252 -1.590 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 813 1.749 -0.467 -7.746 1.00 0.00 H new ATOM 583 N PHE A 814 -0.480 -4.254 -5.360 1.00 0.00 N ATOM 584 CA PHE A 814 -0.182 -5.247 -4.339 1.00 0.00 C ATOM 585 C PHE A 814 0.705 -6.368 -4.885 1.00 0.00 C ATOM 586 O PHE A 814 1.642 -6.799 -4.223 1.00 0.00 O ATOM 587 CB PHE A 814 -1.490 -5.823 -3.784 1.00 0.00 C ATOM 588 CG PHE A 814 -1.295 -6.893 -2.747 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.825 -6.574 -1.484 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.585 -8.216 -3.039 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.645 -7.557 -0.530 1.00 0.00 C ATOM 592 CE2 PHE A 814 -1.407 -9.203 -2.089 1.00 0.00 C ATOM 593 CZ PHE A 814 -0.938 -8.871 -0.834 1.00 0.00 C ATOM 0 H PHE A 814 -1.476 -4.140 -5.546 1.00 0.00 H new ATOM 0 HA PHE A 814 0.369 -4.756 -3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.076 -5.013 -3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -2.074 -6.232 -4.609 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.597 -5.546 -1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -1.954 -8.478 -4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 814 -0.276 -7.298 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -1.634 -10.232 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 814 -0.800 -9.641 -0.089 1.00 0.00 H new ATOM 603 N VAL A 815 0.423 -6.830 -6.096 1.00 0.00 N ATOM 604 CA VAL A 815 1.195 -7.922 -6.681 1.00 0.00 C ATOM 605 C VAL A 815 2.302 -7.404 -7.595 1.00 0.00 C ATOM 606 O VAL A 815 2.970 -8.183 -8.277 1.00 0.00 O ATOM 607 CB VAL A 815 0.304 -8.901 -7.474 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.700 -9.578 -6.557 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.405 -8.185 -8.612 1.00 0.00 C ATOM 0 H VAL A 815 -0.326 -6.471 -6.688 1.00 0.00 H new ATOM 0 HA VAL A 815 1.643 -8.455 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 815 0.945 -9.670 -7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.318 -10.264 -7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.170 -10.133 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.334 -8.823 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -1.027 -8.895 -9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -1.031 -7.390 -8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.334 -7.756 -9.289 1.00 0.00 H new ATOM 619 N ASP A 816 2.498 -6.093 -7.607 1.00 0.00 N ATOM 620 CA ASP A 816 3.529 -5.491 -8.448 1.00 0.00 C ATOM 621 C ASP A 816 4.817 -5.281 -7.667 1.00 0.00 C ATOM 622 O ASP A 816 5.811 -5.974 -7.886 1.00 0.00 O ATOM 623 CB ASP A 816 3.055 -4.153 -9.027 1.00 0.00 C ATOM 624 CG ASP A 816 4.053 -3.544 -9.999 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.799 -4.299 -10.655 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.088 -2.302 -10.123 1.00 0.00 O ATOM 0 H ASP A 816 1.962 -5.428 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 816 3.723 -6.181 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.102 -4.300 -9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 816 2.876 -3.453 -8.211 1.00 0.00 H new ATOM 631 N THR A 817 4.792 -4.334 -6.741 1.00 0.00 N ATOM 632 CA THR A 817 5.995 -3.954 -6.023 1.00 0.00 C ATOM 633 C THR A 817 6.169 -4.760 -4.734 1.00 0.00 C ATOM 634 O THR A 817 7.287 -5.099 -4.366 1.00 0.00 O ATOM 635 CB THR A 817 6.008 -2.434 -5.717 1.00 0.00 C ATOM 636 OG1 THR A 817 7.341 -1.991 -5.427 1.00 0.00 O ATOM 637 CG2 THR A 817 5.089 -2.081 -4.555 1.00 0.00 C ATOM 0 H THR A 817 3.955 -3.818 -6.471 1.00 0.00 H new ATOM 0 HA THR A 817 6.839 -4.183 -6.674 1.00 0.00 H new ATOM 0 HB THR A 817 5.640 -1.924 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.664 -2.436 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 817 5.128 -1.007 -4.374 1.00 0.00 H new ATOM 0 HG22 THR A 817 4.067 -2.371 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 817 5.414 -2.612 -3.660 1.00 0.00 H new ATOM 645 N VAL A 818 5.061 -5.113 -4.083 1.00 0.00 N ATOM 646 CA VAL A 818 5.113 -5.714 -2.750 1.00 0.00 C ATOM 647 C VAL A 818 5.918 -7.026 -2.717 1.00 0.00 C ATOM 648 O VAL A 818 6.868 -7.132 -1.946 1.00 0.00 O ATOM 649 CB VAL A 818 3.702 -5.950 -2.171 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.786 -6.599 -0.797 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.935 -4.640 -2.095 1.00 0.00 C ATOM 0 H VAL A 818 4.119 -4.994 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 818 5.633 -4.990 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 818 3.167 -6.628 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.780 -6.757 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.298 -7.558 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.340 -5.948 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.942 -4.823 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.470 -3.942 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.842 -4.214 -3.094 1.00 0.00 H new ATOM 661 N PRO A 819 5.570 -8.041 -3.541 1.00 0.00 N ATOM 662 CA PRO A 819 6.285 -9.326 -3.535 1.00 0.00 C ATOM 663 C PRO A 819 7.777 -9.167 -3.821 1.00 0.00 C ATOM 664 O PRO A 819 8.612 -9.839 -3.212 1.00 0.00 O ATOM 665 CB PRO A 819 5.607 -10.139 -4.646 1.00 0.00 C ATOM 666 CG PRO A 819 4.845 -9.147 -5.457 1.00 0.00 C ATOM 667 CD PRO A 819 4.468 -8.040 -4.517 1.00 0.00 C ATOM 0 HA PRO A 819 6.233 -9.805 -2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.344 -10.661 -5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 819 4.944 -10.897 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 819 5.451 -8.769 -6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.958 -9.603 -5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.387 -7.083 -5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.506 -8.227 -4.039 1.00 0.00 H new ATOM 675 N ASP A 820 8.111 -8.260 -4.731 1.00 0.00 N ATOM 676 CA ASP A 820 9.504 -8.021 -5.087 1.00 0.00 C ATOM 677 C ASP A 820 10.212 -7.225 -3.998 1.00 0.00 C ATOM 678 O ASP A 820 11.402 -7.415 -3.758 1.00 0.00 O ATOM 679 CB ASP A 820 9.613 -7.289 -6.424 1.00 0.00 C ATOM 680 CG ASP A 820 10.999 -7.420 -7.028 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.438 -8.562 -7.277 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.657 -6.384 -7.252 1.00 0.00 O ATOM 0 H ASP A 820 7.439 -7.680 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 820 9.990 -8.992 -5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.875 -7.689 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.377 -6.234 -6.281 1.00 0.00 H new ATOM 687 N ASP A 821 9.473 -6.342 -3.337 1.00 0.00 N ATOM 688 CA ASP A 821 10.011 -5.565 -2.222 1.00 0.00 C ATOM 689 C ASP A 821 10.312 -6.483 -1.044 1.00 0.00 C ATOM 690 O ASP A 821 11.299 -6.299 -0.334 1.00 0.00 O ATOM 691 CB ASP A 821 9.025 -4.474 -1.793 1.00 0.00 C ATOM 692 CG ASP A 821 9.342 -3.120 -2.402 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.450 -2.599 -2.163 1.00 0.00 O ATOM 694 OD2 ASP A 821 8.476 -2.571 -3.121 1.00 0.00 O ATOM 0 H ASP A 821 8.496 -6.144 -3.553 1.00 0.00 H new ATOM 0 HA ASP A 821 10.934 -5.087 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.016 -4.769 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.034 -4.389 -0.706 1.00 0.00 H new ATOM 699 N VAL A 822 9.451 -7.477 -0.846 1.00 0.00 N ATOM 700 CA VAL A 822 9.682 -8.505 0.168 1.00 0.00 C ATOM 701 C VAL A 822 10.921 -9.323 -0.195 1.00 0.00 C ATOM 702 O VAL A 822 11.773 -9.600 0.652 1.00 0.00 O ATOM 703 CB VAL A 822 8.462 -9.445 0.312 1.00 0.00 C ATOM 704 CG1 VAL A 822 8.771 -10.613 1.239 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.252 -8.673 0.817 1.00 0.00 C ATOM 0 H VAL A 822 8.586 -7.594 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 822 9.837 -8.003 1.123 1.00 0.00 H new ATOM 0 HB VAL A 822 8.234 -9.850 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 822 7.894 -11.255 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.605 -11.187 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.035 -10.234 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.403 -9.350 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.479 -8.236 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.006 -7.880 0.111 1.00 0.00 H new ATOM 715 N LYS A 823 11.012 -9.695 -1.469 1.00 0.00 N ATOM 716 CA LYS A 823 12.190 -10.375 -2.001 1.00 0.00 C ATOM 717 C LYS A 823 13.434 -9.525 -1.769 1.00 0.00 C ATOM 718 O LYS A 823 14.504 -10.037 -1.436 1.00 0.00 O ATOM 719 CB LYS A 823 12.019 -10.615 -3.502 1.00 0.00 C ATOM 720 CG LYS A 823 11.652 -12.038 -3.876 1.00 0.00 C ATOM 721 CD LYS A 823 11.626 -12.217 -5.387 1.00 0.00 C ATOM 722 CE LYS A 823 13.024 -12.142 -5.984 1.00 0.00 C ATOM 723 NZ LYS A 823 13.238 -10.886 -6.753 1.00 0.00 N ATOM 0 H LYS A 823 10.277 -9.535 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 823 12.303 -11.330 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.247 -9.944 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 823 12.947 -10.348 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 823 12.371 -12.730 -3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 823 10.676 -12.286 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 823 11.176 -13.179 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 823 10.997 -11.448 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 823 13.763 -12.208 -5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 823 13.185 -12.999 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 13.448 -11.118 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 12.379 -10.301 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 14.036 -10.360 -6.344 1.00 0.00 H new ATOM 737 N ARG A 824 13.276 -8.220 -1.951 1.00 0.00 N ATOM 738 CA ARG A 824 14.356 -7.274 -1.733 1.00 0.00 C ATOM 739 C ARG A 824 14.736 -7.237 -0.261 1.00 0.00 C ATOM 740 O ARG A 824 15.909 -7.334 0.072 1.00 0.00 O ATOM 741 CB ARG A 824 13.956 -5.880 -2.220 1.00 0.00 C ATOM 742 CG ARG A 824 15.104 -5.097 -2.837 1.00 0.00 C ATOM 743 CD ARG A 824 16.072 -6.009 -3.575 1.00 0.00 C ATOM 744 NE ARG A 824 16.254 -5.603 -4.964 1.00 0.00 N ATOM 745 CZ ARG A 824 17.306 -4.915 -5.407 1.00 0.00 C ATOM 746 NH1 ARG A 824 18.262 -4.534 -4.559 1.00 0.00 N ATOM 747 NH2 ARG A 824 17.395 -4.603 -6.695 1.00 0.00 N ATOM 0 H ARG A 824 12.400 -7.792 -2.252 1.00 0.00 H new ATOM 0 HA ARG A 824 15.223 -7.600 -2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.157 -5.977 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 824 13.551 -5.314 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 824 14.708 -4.352 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 824 15.637 -4.556 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 824 17.036 -6.002 -3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 824 15.701 -7.034 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 824 15.532 -5.861 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 824 18.189 -4.769 -3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 824 19.066 -4.008 -4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 824 16.660 -4.890 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 824 18.199 -4.077 -7.038 1.00 0.00 H new ATOM 761 N LEU A 825 13.734 -7.116 0.608 1.00 0.00 N ATOM 762 CA LEU A 825 13.946 -7.164 2.055 1.00 0.00 C ATOM 763 C LEU A 825 14.788 -8.382 2.425 1.00 0.00 C ATOM 764 O LEU A 825 15.755 -8.281 3.179 1.00 0.00 O ATOM 765 CB LEU A 825 12.604 -7.229 2.791 1.00 0.00 C ATOM 766 CG LEU A 825 12.073 -5.898 3.331 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.730 -6.105 4.011 1.00 0.00 C ATOM 768 CD2 LEU A 825 13.066 -5.276 4.302 1.00 0.00 C ATOM 0 H LEU A 825 12.761 -6.983 0.333 1.00 0.00 H new ATOM 0 HA LEU A 825 14.473 -6.258 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 825 11.860 -7.647 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 825 12.702 -7.924 3.625 1.00 0.00 H new ATOM 0 HG LEU A 825 11.941 -5.215 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.363 -5.151 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.016 -6.508 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.845 -6.805 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.669 -4.331 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 825 13.230 -5.955 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.011 -5.096 3.790 1.00 0.00 H new ATOM 780 N TYR A 826 14.416 -9.526 1.863 1.00 0.00 N ATOM 781 CA TYR A 826 15.148 -10.770 2.069 1.00 0.00 C ATOM 782 C TYR A 826 16.590 -10.647 1.567 1.00 0.00 C ATOM 783 O TYR A 826 17.537 -11.062 2.242 1.00 0.00 O ATOM 784 CB TYR A 826 14.430 -11.909 1.338 1.00 0.00 C ATOM 785 CG TYR A 826 13.276 -12.509 2.111 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.400 -12.817 3.461 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.062 -12.763 1.491 1.00 0.00 C ATOM 788 CE1 TYR A 826 12.345 -13.365 4.167 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.003 -13.309 2.188 1.00 0.00 C ATOM 790 CZ TYR A 826 11.148 -13.606 3.525 1.00 0.00 C ATOM 791 OH TYR A 826 10.089 -14.142 4.224 1.00 0.00 O ATOM 0 H TYR A 826 13.603 -9.618 1.255 1.00 0.00 H new ATOM 0 HA TYR A 826 15.181 -10.985 3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.059 -11.537 0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.152 -12.695 1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.335 -12.625 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 826 11.943 -12.529 0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 826 12.457 -13.603 5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.066 -13.502 1.688 1.00 0.00 H new ATOM 0 HH TYR A 826 9.504 -13.420 4.535 1.00 0.00 H new ATOM 801 N THR A 827 16.745 -10.049 0.394 1.00 0.00 N ATOM 802 CA THR A 827 18.048 -9.916 -0.241 1.00 0.00 C ATOM 803 C THR A 827 18.957 -8.964 0.538 1.00 0.00 C ATOM 804 O THR A 827 20.117 -9.283 0.793 1.00 0.00 O ATOM 805 CB THR A 827 17.897 -9.424 -1.694 1.00 0.00 C ATOM 806 OG1 THR A 827 17.043 -10.323 -2.420 1.00 0.00 O ATOM 807 CG2 THR A 827 19.247 -9.327 -2.391 1.00 0.00 C ATOM 0 H THR A 827 15.976 -9.645 -0.141 1.00 0.00 H new ATOM 0 HA THR A 827 18.511 -10.903 -0.244 1.00 0.00 H new ATOM 0 HB THR A 827 17.456 -8.428 -1.671 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.113 -10.186 -2.143 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.104 -8.977 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 827 19.885 -8.625 -1.853 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.720 -10.309 -2.406 1.00 0.00 H new ATOM 815 N GLU A 828 18.419 -7.817 0.940 1.00 0.00 N ATOM 816 CA GLU A 828 19.201 -6.832 1.682 1.00 0.00 C ATOM 817 C GLU A 828 19.526 -7.351 3.081 1.00 0.00 C ATOM 818 O GLU A 828 20.543 -6.982 3.675 1.00 0.00 O ATOM 819 CB GLU A 828 18.461 -5.492 1.773 1.00 0.00 C ATOM 820 CG GLU A 828 17.776 -5.068 0.480 1.00 0.00 C ATOM 821 CD GLU A 828 18.749 -4.757 -0.646 1.00 0.00 C ATOM 822 OE1 GLU A 828 19.963 -4.637 -0.384 1.00 0.00 O ATOM 823 OE2 GLU A 828 18.296 -4.619 -1.805 1.00 0.00 O ATOM 0 H GLU A 828 17.451 -7.547 0.766 1.00 0.00 H new ATOM 0 HA GLU A 828 20.133 -6.669 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.713 -5.556 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.170 -4.718 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.101 -5.861 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 828 17.163 -4.188 0.674 1.00 0.00 H new ATOM 830 N ALA A 829 18.660 -8.212 3.604 1.00 0.00 N ATOM 831 CA ALA A 829 18.893 -8.835 4.899 1.00 0.00 C ATOM 832 C ALA A 829 20.056 -9.816 4.823 1.00 0.00 C ATOM 833 O ALA A 829 20.857 -9.913 5.751 1.00 0.00 O ATOM 834 CB ALA A 829 17.639 -9.533 5.392 1.00 0.00 C ATOM 0 H ALA A 829 17.791 -8.493 3.150 1.00 0.00 H new ATOM 0 HA ALA A 829 19.151 -8.051 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.835 -9.992 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.833 -8.806 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.347 -10.303 4.678 1.00 0.00 H new ATOM 840 N ALA A 830 20.152 -10.525 3.703 1.00 0.00 N ATOM 841 CA ALA A 830 21.237 -11.477 3.489 1.00 0.00 C ATOM 842 C ALA A 830 22.597 -10.778 3.495 1.00 0.00 C ATOM 843 O ALA A 830 23.601 -11.360 3.907 1.00 0.00 O ATOM 844 CB ALA A 830 21.026 -12.221 2.178 1.00 0.00 C ATOM 0 H ALA A 830 19.491 -10.458 2.929 1.00 0.00 H new ATOM 0 HA ALA A 830 21.229 -12.194 4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 830 21.840 -12.929 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.079 -12.759 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.007 -11.508 1.354 1.00 0.00 H new ATOM 850 N THR A 831 22.625 -9.532 3.039 1.00 0.00 N ATOM 851 CA THR A 831 23.856 -8.751 3.011 1.00 0.00 C ATOM 852 C THR A 831 24.027 -7.931 4.291 1.00 0.00 C ATOM 853 O THR A 831 25.084 -7.341 4.523 1.00 0.00 O ATOM 854 CB THR A 831 23.864 -7.796 1.807 1.00 0.00 C ATOM 855 OG1 THR A 831 22.532 -7.660 1.293 1.00 0.00 O ATOM 856 CG2 THR A 831 24.786 -8.306 0.711 1.00 0.00 C ATOM 0 H THR A 831 21.806 -9.039 2.682 1.00 0.00 H new ATOM 0 HA THR A 831 24.682 -9.457 2.929 1.00 0.00 H new ATOM 0 HB THR A 831 24.233 -6.826 2.140 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.538 -7.050 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.772 -7.611 -0.129 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.802 -8.387 1.098 1.00 0.00 H new ATOM 0 HG23 THR A 831 24.446 -9.286 0.376 1.00 0.00 H new ATOM 864 N SER A 832 22.976 -7.907 5.111 1.00 0.00 N ATOM 865 CA SER A 832 22.932 -7.105 6.329 1.00 0.00 C ATOM 866 C SER A 832 23.052 -5.622 5.994 1.00 0.00 C ATOM 867 O SER A 832 23.632 -4.839 6.749 1.00 0.00 O ATOM 868 CB SER A 832 24.012 -7.528 7.336 1.00 0.00 C ATOM 869 OG SER A 832 24.472 -8.851 7.091 1.00 0.00 O ATOM 0 H SER A 832 22.127 -8.448 4.946 1.00 0.00 H new ATOM 0 HA SER A 832 21.966 -7.280 6.803 1.00 0.00 H new ATOM 0 HB2 SER A 832 24.852 -6.835 7.281 1.00 0.00 H new ATOM 0 HB3 SER A 832 23.611 -7.464 8.348 1.00 0.00 H new ATOM 0 HG SER A 832 25.159 -9.086 7.749 1.00 0.00 H new ATOM 875 N ASP A 833 22.487 -5.242 4.858 1.00 0.00 N ATOM 876 CA ASP A 833 22.467 -3.849 4.446 1.00 0.00 C ATOM 877 C ASP A 833 21.245 -3.176 5.044 1.00 0.00 C ATOM 878 O ASP A 833 20.261 -2.916 4.358 1.00 0.00 O ATOM 879 CB ASP A 833 22.457 -3.723 2.920 1.00 0.00 C ATOM 880 CG ASP A 833 23.086 -2.426 2.454 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.710 -1.357 2.978 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.979 -2.475 1.578 1.00 0.00 O ATOM 0 H ASP A 833 22.035 -5.882 4.204 1.00 0.00 H new ATOM 0 HA ASP A 833 23.371 -3.358 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.995 -4.564 2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.430 -3.779 2.558 1.00 0.00 H new ATOM 887 N PHE A 834 21.312 -2.928 6.342 1.00 0.00 N ATOM 888 CA PHE A 834 20.184 -2.380 7.092 1.00 0.00 C ATOM 889 C PHE A 834 19.741 -1.013 6.576 1.00 0.00 C ATOM 890 O PHE A 834 18.604 -0.602 6.808 1.00 0.00 O ATOM 891 CB PHE A 834 20.524 -2.306 8.580 1.00 0.00 C ATOM 892 CG PHE A 834 20.842 -3.650 9.170 1.00 0.00 C ATOM 893 CD1 PHE A 834 19.832 -4.549 9.463 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.151 -4.015 9.420 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.125 -5.794 9.993 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.450 -5.253 9.951 1.00 0.00 C ATOM 897 CZ PHE A 834 21.438 -6.144 10.238 1.00 0.00 C ATOM 0 H PHE A 834 22.144 -3.099 6.907 1.00 0.00 H new ATOM 0 HA PHE A 834 19.344 -3.059 6.946 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.376 -1.641 8.721 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.684 -1.867 9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 834 18.804 -4.277 9.276 1.00 0.00 H new ATOM 0 HD2 PHE A 834 22.950 -3.323 9.197 1.00 0.00 H new ATOM 0 HE1 PHE A 834 19.329 -6.489 10.214 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.478 -5.524 10.142 1.00 0.00 H new ATOM 0 HZ PHE A 834 21.672 -7.113 10.653 1.00 0.00 H new ATOM 907 N ALA A 835 20.619 -0.310 5.875 1.00 0.00 N ATOM 908 CA ALA A 835 20.235 0.948 5.246 1.00 0.00 C ATOM 909 C ALA A 835 19.247 0.680 4.117 1.00 0.00 C ATOM 910 O ALA A 835 18.231 1.370 3.975 1.00 0.00 O ATOM 911 CB ALA A 835 21.459 1.685 4.722 1.00 0.00 C ATOM 0 H ALA A 835 21.591 -0.584 5.728 1.00 0.00 H new ATOM 0 HA ALA A 835 19.756 1.581 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.149 2.621 4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.137 1.898 5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.969 1.065 3.985 1.00 0.00 H new ATOM 917 N ALA A 836 19.525 -0.369 3.353 1.00 0.00 N ATOM 918 CA ALA A 836 18.680 -0.744 2.233 1.00 0.00 C ATOM 919 C ALA A 836 17.461 -1.487 2.748 1.00 0.00 C ATOM 920 O ALA A 836 16.376 -1.405 2.171 1.00 0.00 O ATOM 921 CB ALA A 836 19.454 -1.598 1.239 1.00 0.00 C ATOM 0 H ALA A 836 20.333 -0.976 3.492 1.00 0.00 H new ATOM 0 HA ALA A 836 18.354 0.157 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.803 -1.868 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.308 -1.035 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.806 -2.503 1.734 1.00 0.00 H new ATOM 927 N LEU A 837 17.658 -2.211 3.846 1.00 0.00 N ATOM 928 CA LEU A 837 16.572 -2.880 4.546 1.00 0.00 C ATOM 929 C LEU A 837 15.535 -1.864 4.999 1.00 0.00 C ATOM 930 O LEU A 837 14.334 -2.067 4.828 1.00 0.00 O ATOM 931 CB LEU A 837 17.113 -3.636 5.760 1.00 0.00 C ATOM 932 CG LEU A 837 17.272 -5.143 5.576 1.00 0.00 C ATOM 933 CD1 LEU A 837 18.579 -5.615 6.190 1.00 0.00 C ATOM 934 CD2 LEU A 837 16.097 -5.880 6.196 1.00 0.00 C ATOM 0 H LEU A 837 18.574 -2.349 4.273 1.00 0.00 H new ATOM 0 HA LEU A 837 16.104 -3.589 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 837 18.083 -3.215 6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.446 -3.459 6.604 1.00 0.00 H new ATOM 0 HG LEU A 837 17.292 -5.362 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 837 18.678 -6.692 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 837 19.413 -5.108 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 837 18.585 -5.385 7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 837 16.226 -6.953 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 837 16.049 -5.656 7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 837 15.172 -5.560 5.716 1.00 0.00 H new ATOM 946 N ALA A 838 16.010 -0.766 5.576 1.00 0.00 N ATOM 947 CA ALA A 838 15.132 0.308 6.009 1.00 0.00 C ATOM 948 C ALA A 838 14.430 0.939 4.813 1.00 0.00 C ATOM 949 O ALA A 838 13.249 1.274 4.884 1.00 0.00 O ATOM 950 CB ALA A 838 15.912 1.358 6.781 1.00 0.00 C ATOM 0 H ALA A 838 17.000 -0.599 5.754 1.00 0.00 H new ATOM 0 HA ALA A 838 14.376 -0.114 6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.237 2.154 7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.368 0.900 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.691 1.775 6.143 1.00 0.00 H new ATOM 956 N GLN A 839 15.169 1.094 3.717 1.00 0.00 N ATOM 957 CA GLN A 839 14.612 1.636 2.480 1.00 0.00 C ATOM 958 C GLN A 839 13.420 0.807 2.003 1.00 0.00 C ATOM 959 O GLN A 839 12.364 1.355 1.674 1.00 0.00 O ATOM 960 CB GLN A 839 15.681 1.682 1.383 1.00 0.00 C ATOM 961 CG GLN A 839 16.522 2.949 1.403 1.00 0.00 C ATOM 962 CD GLN A 839 15.697 4.204 1.187 1.00 0.00 C ATOM 963 OE1 GLN A 839 14.553 4.146 0.730 1.00 0.00 O ATOM 964 NE2 GLN A 839 16.278 5.349 1.506 1.00 0.00 N ATOM 0 H GLN A 839 16.158 0.851 3.660 1.00 0.00 H new ATOM 0 HA GLN A 839 14.269 2.650 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.338 0.819 1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.196 1.594 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 839 17.041 3.020 2.359 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.287 2.885 0.629 1.00 0.00 H new ATOM 0 HE21 GLN A 839 17.226 5.352 1.881 1.00 0.00 H new ATOM 0 HE22 GLN A 839 15.778 6.228 1.377 1.00 0.00 H new ATOM 973 N THR A 840 13.589 -0.512 1.991 1.00 0.00 N ATOM 974 CA THR A 840 12.540 -1.408 1.527 1.00 0.00 C ATOM 975 C THR A 840 11.408 -1.485 2.544 1.00 0.00 C ATOM 976 O THR A 840 10.233 -1.465 2.179 1.00 0.00 O ATOM 977 CB THR A 840 13.089 -2.821 1.256 1.00 0.00 C ATOM 978 OG1 THR A 840 14.287 -3.037 2.015 1.00 0.00 O ATOM 979 CG2 THR A 840 13.378 -3.009 -0.225 1.00 0.00 C ATOM 0 H THR A 840 14.441 -0.981 2.297 1.00 0.00 H new ATOM 0 HA THR A 840 12.154 -1.001 0.592 1.00 0.00 H new ATOM 0 HB THR A 840 12.335 -3.547 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.017 -2.507 1.632 1.00 0.00 H new ATOM 0 HG21 THR A 840 13.765 -4.014 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 840 12.459 -2.872 -0.795 1.00 0.00 H new ATOM 0 HG23 THR A 840 14.117 -2.276 -0.547 1.00 0.00 H new ATOM 987 N ALA A 841 11.768 -1.558 3.822 1.00 0.00 N ATOM 988 CA ALA A 841 10.780 -1.585 4.892 1.00 0.00 C ATOM 989 C ALA A 841 9.905 -0.339 4.841 1.00 0.00 C ATOM 990 O ALA A 841 8.680 -0.431 4.912 1.00 0.00 O ATOM 991 CB ALA A 841 11.457 -1.705 6.249 1.00 0.00 C ATOM 0 H ALA A 841 12.736 -1.599 4.140 1.00 0.00 H new ATOM 0 HA ALA A 841 10.146 -2.460 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.700 -1.723 7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 841 12.039 -2.626 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 841 12.118 -0.852 6.403 1.00 0.00 H new ATOM 997 N HIS A 842 10.544 0.821 4.700 1.00 0.00 N ATOM 998 CA HIS A 842 9.835 2.090 4.586 1.00 0.00 C ATOM 999 C HIS A 842 8.886 2.065 3.394 1.00 0.00 C ATOM 1000 O HIS A 842 7.733 2.492 3.496 1.00 0.00 O ATOM 1001 CB HIS A 842 10.829 3.246 4.434 1.00 0.00 C ATOM 1002 CG HIS A 842 10.379 4.513 5.091 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.599 4.787 6.421 1.00 0.00 N ATOM 1004 CD2 HIS A 842 9.722 5.585 4.595 1.00 0.00 C ATOM 1005 CE1 HIS A 842 10.095 5.969 6.717 1.00 0.00 C ATOM 1006 NE2 HIS A 842 9.558 6.473 5.626 1.00 0.00 N ATOM 0 H HIS A 842 11.560 0.906 4.662 1.00 0.00 H new ATOM 0 HA HIS A 842 9.254 2.240 5.496 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.788 2.948 4.858 1.00 0.00 H new ATOM 0 HB3 HIS A 842 10.994 3.435 3.373 1.00 0.00 H new ATOM 0 HD1 HIS A 842 11.078 4.171 7.077 1.00 0.00 H new ATOM 0 HD2 HIS A 842 9.388 5.717 3.576 1.00 0.00 H new ATOM 0 HE1 HIS A 842 10.119 6.442 7.688 1.00 0.00 H new ATOM 1015 N ARG A 843 9.379 1.545 2.276 1.00 0.00 N ATOM 1016 CA ARG A 843 8.582 1.442 1.061 1.00 0.00 C ATOM 1017 C ARG A 843 7.371 0.543 1.284 1.00 0.00 C ATOM 1018 O ARG A 843 6.270 0.846 0.825 1.00 0.00 O ATOM 1019 CB ARG A 843 9.439 0.897 -0.084 1.00 0.00 C ATOM 1020 CG ARG A 843 9.680 1.901 -1.200 1.00 0.00 C ATOM 1021 CD ARG A 843 9.869 3.310 -0.659 1.00 0.00 C ATOM 1022 NE ARG A 843 11.273 3.716 -0.648 1.00 0.00 N ATOM 1023 CZ ARG A 843 11.770 4.669 -1.438 1.00 0.00 C ATOM 1024 NH1 ARG A 843 10.979 5.306 -2.291 1.00 0.00 N ATOM 1025 NH2 ARG A 843 13.052 4.993 -1.365 1.00 0.00 N ATOM 0 H ARG A 843 10.330 1.187 2.187 1.00 0.00 H new ATOM 0 HA ARG A 843 8.226 2.438 0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.400 0.574 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 843 8.954 0.014 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 843 10.563 1.608 -1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 843 8.837 1.887 -1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.295 4.010 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 843 9.469 3.365 0.354 1.00 0.00 H new ATOM 0 HE ARG A 843 11.907 3.246 -0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 843 9.989 5.067 -2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 843 11.361 6.034 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 843 13.662 4.513 -0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 843 13.429 5.722 -1.970 1.00 0.00 H new ATOM 1039 N LEU A 844 7.577 -0.551 2.006 1.00 0.00 N ATOM 1040 CA LEU A 844 6.501 -1.488 2.303 1.00 0.00 C ATOM 1041 C LEU A 844 5.425 -0.835 3.167 1.00 0.00 C ATOM 1042 O LEU A 844 4.235 -1.044 2.932 1.00 0.00 O ATOM 1043 CB LEU A 844 7.046 -2.737 2.991 1.00 0.00 C ATOM 1044 CG LEU A 844 7.038 -3.999 2.129 1.00 0.00 C ATOM 1045 CD1 LEU A 844 8.457 -4.441 1.821 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.269 -5.113 2.824 1.00 0.00 C ATOM 0 H LEU A 844 8.482 -0.812 2.398 1.00 0.00 H new ATOM 0 HA LEU A 844 6.046 -1.782 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 844 8.069 -2.540 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.459 -2.925 3.890 1.00 0.00 H new ATOM 0 HG LEU A 844 6.538 -3.772 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 844 8.432 -5.341 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.976 -3.648 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 844 8.983 -4.652 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.273 -6.004 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 844 6.741 -5.340 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 844 5.241 -4.794 2.994 1.00 0.00 H new ATOM 1058 N LYS A 845 5.838 -0.044 4.164 1.00 0.00 N ATOM 1059 CA LYS A 845 4.887 0.717 4.962 1.00 0.00 C ATOM 1060 C LYS A 845 4.031 1.586 4.055 1.00 0.00 C ATOM 1061 O LYS A 845 2.808 1.582 4.151 1.00 0.00 O ATOM 1062 CB LYS A 845 5.598 1.615 5.975 1.00 0.00 C ATOM 1063 CG LYS A 845 6.781 0.968 6.670 1.00 0.00 C ATOM 1064 CD LYS A 845 7.640 2.005 7.371 1.00 0.00 C ATOM 1065 CE LYS A 845 6.801 2.850 8.306 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.628 3.668 9.231 1.00 0.00 N ATOM 0 H LYS A 845 6.815 0.081 4.431 1.00 0.00 H new ATOM 0 HA LYS A 845 4.265 0.004 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 845 5.941 2.515 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 845 4.878 1.931 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 845 6.425 0.237 7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 845 7.383 0.426 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 845 8.432 1.509 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 845 8.125 2.643 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.160 3.508 7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 845 6.146 2.201 8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 7.395 3.422 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 8.635 3.478 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 7.433 4.677 9.071 1.00 0.00 H new ATOM 1080 N GLY A 846 4.694 2.309 3.159 1.00 0.00 N ATOM 1081 CA GLY A 846 4.002 3.226 2.275 1.00 0.00 C ATOM 1082 C GLY A 846 3.011 2.542 1.353 1.00 0.00 C ATOM 1083 O GLY A 846 1.886 3.013 1.201 1.00 0.00 O ATOM 0 H GLY A 846 5.705 2.275 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.476 3.969 2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.736 3.763 1.674 1.00 0.00 H new ATOM 1087 N VAL A 847 3.414 1.433 0.738 1.00 0.00 N ATOM 1088 CA VAL A 847 2.544 0.726 -0.198 1.00 0.00 C ATOM 1089 C VAL A 847 1.433 -0.024 0.535 1.00 0.00 C ATOM 1090 O VAL A 847 0.296 -0.066 0.067 1.00 0.00 O ATOM 1091 CB VAL A 847 3.332 -0.252 -1.106 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.221 0.517 -2.070 1.00 0.00 C ATOM 1093 CG2 VAL A 847 4.160 -1.233 -0.289 1.00 0.00 C ATOM 0 H VAL A 847 4.331 1.007 0.870 1.00 0.00 H new ATOM 0 HA VAL A 847 2.094 1.487 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 847 2.605 -0.829 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.767 -0.185 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.606 1.163 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.929 1.125 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.698 -1.902 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.874 -0.684 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.502 -1.817 0.355 1.00 0.00 H new ATOM 1103 N PHE A 848 1.745 -0.592 1.693 1.00 0.00 N ATOM 1104 CA PHE A 848 0.730 -1.276 2.480 1.00 0.00 C ATOM 1105 C PHE A 848 -0.265 -0.257 3.020 1.00 0.00 C ATOM 1106 O PHE A 848 -1.469 -0.473 2.963 1.00 0.00 O ATOM 1107 CB PHE A 848 1.366 -2.102 3.603 1.00 0.00 C ATOM 1108 CG PHE A 848 1.638 -3.532 3.203 1.00 0.00 C ATOM 1109 CD1 PHE A 848 1.195 -4.021 1.982 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.339 -4.384 4.041 1.00 0.00 C ATOM 1111 CE1 PHE A 848 1.443 -5.327 1.605 1.00 0.00 C ATOM 1112 CE2 PHE A 848 2.590 -5.696 3.670 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.143 -6.169 2.449 1.00 0.00 C ATOM 0 H PHE A 848 2.679 -0.593 2.103 1.00 0.00 H new ATOM 0 HA PHE A 848 0.193 -1.977 1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.301 -1.632 3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.707 -2.093 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 848 0.648 -3.370 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 848 2.694 -4.022 4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 848 1.090 -5.690 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 848 3.135 -6.350 4.335 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.340 -7.190 2.157 1.00 0.00 H new ATOM 1123 N ALA A 849 0.239 0.879 3.491 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.626 1.972 3.934 1.00 0.00 C ATOM 1125 C ALA A 849 -1.396 2.555 2.754 1.00 0.00 C ATOM 1126 O ALA A 849 -2.485 3.104 2.917 1.00 0.00 O ATOM 1127 CB ALA A 849 0.187 3.062 4.616 1.00 0.00 C ATOM 0 H ALA A 849 1.238 1.069 3.577 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.338 1.569 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.477 3.864 4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.699 2.645 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.923 3.458 3.917 1.00 0.00 H new ATOM 1133 N MET A 850 -0.814 2.429 1.569 1.00 0.00 N ATOM 1134 CA MET A 850 -1.445 2.877 0.333 1.00 0.00 C ATOM 1135 C MET A 850 -2.731 2.094 0.082 1.00 0.00 C ATOM 1136 O MET A 850 -3.763 2.670 -0.263 1.00 0.00 O ATOM 1137 CB MET A 850 -0.470 2.695 -0.836 1.00 0.00 C ATOM 1138 CG MET A 850 -1.017 3.129 -2.179 1.00 0.00 C ATOM 1139 SD MET A 850 -0.032 4.436 -2.941 1.00 0.00 S ATOM 1140 CE MET A 850 0.656 3.570 -4.351 1.00 0.00 C ATOM 0 H MET A 850 0.108 2.014 1.437 1.00 0.00 H new ATOM 0 HA MET A 850 -1.699 3.933 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 850 0.438 3.260 -0.627 1.00 0.00 H new ATOM 0 HB3 MET A 850 -0.185 1.645 -0.896 1.00 0.00 H new ATOM 0 HG2 MET A 850 -1.052 2.269 -2.848 1.00 0.00 H new ATOM 0 HG3 MET A 850 -2.042 3.478 -2.054 1.00 0.00 H new ATOM 0 HE1 MET A 850 1.290 4.249 -4.921 1.00 0.00 H new ATOM 0 HE2 MET A 850 1.250 2.724 -4.004 1.00 0.00 H new ATOM 0 HE3 MET A 850 -0.153 3.209 -4.986 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.663 0.780 0.263 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.845 -0.069 0.134 1.00 0.00 C ATOM 1152 C LEU A 851 -4.616 -0.119 1.452 1.00 0.00 C ATOM 1153 O LEU A 851 -5.714 -0.675 1.518 1.00 0.00 O ATOM 1154 CB LEU A 851 -3.459 -1.491 -0.289 1.00 0.00 C ATOM 1155 CG LEU A 851 -2.052 -1.654 -0.865 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -1.408 -2.927 -0.341 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.096 -1.669 -2.385 1.00 0.00 C ATOM 0 H LEU A 851 -1.806 0.279 0.499 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.481 0.365 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -3.555 -2.146 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -4.178 -1.837 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.449 -0.804 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.407 -3.028 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -1.343 -2.881 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -2.012 -3.787 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.086 -1.786 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.715 -2.500 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.519 -0.732 -2.746 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.014 0.461 2.492 1.00 0.00 N ATOM 1170 CA ASN A 852 -4.604 0.527 3.836 1.00 0.00 C ATOM 1171 C ASN A 852 -4.563 -0.841 4.503 1.00 0.00 C ATOM 1172 O ASN A 852 -5.493 -1.256 5.195 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.033 1.082 3.806 1.00 0.00 C ATOM 1174 CG ASN A 852 -6.152 2.394 4.561 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -6.322 2.412 5.778 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.058 3.503 3.843 1.00 0.00 N ATOM 0 H ASN A 852 -3.097 0.902 2.428 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.004 1.219 4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.342 1.230 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -6.715 0.351 4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -6.127 4.413 4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -5.917 3.447 2.834 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.458 -1.532 4.279 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.189 -2.820 4.896 1.00 0.00 C ATOM 1185 C LEU A 853 -2.558 -2.603 6.270 1.00 0.00 C ATOM 1186 O LEU A 853 -1.350 -2.781 6.446 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.248 -3.629 3.992 1.00 0.00 C ATOM 1188 CG LEU A 853 -2.913 -4.350 2.811 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.175 -5.642 2.498 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -4.384 -4.633 3.091 1.00 0.00 C ATOM 0 H LEU A 853 -2.715 -1.212 3.658 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.119 -3.374 5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -1.485 -2.957 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -1.735 -4.371 4.604 1.00 0.00 H new ATOM 0 HG LEU A 853 -2.859 -3.693 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -2.658 -6.143 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -1.140 -5.417 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -2.197 -6.294 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -4.825 -5.144 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -4.471 -5.264 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -4.909 -3.693 3.263 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.390 -2.204 7.227 1.00 0.00 N ATOM 1203 CA VAL A 854 -2.932 -1.813 8.563 1.00 0.00 C ATOM 1204 C VAL A 854 -1.997 -2.848 9.207 1.00 0.00 C ATOM 1205 O VAL A 854 -0.860 -2.510 9.535 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.118 -1.525 9.509 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -3.633 -0.925 10.821 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.121 -0.600 8.841 1.00 0.00 C ATOM 0 H VAL A 854 -4.400 -2.141 7.102 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.359 -0.897 8.417 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.612 -2.471 9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.487 -0.731 11.470 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -2.955 -1.623 11.312 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.109 0.010 10.622 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -5.950 -0.409 9.523 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -4.635 0.342 8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -5.500 -1.069 7.933 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.437 -4.114 9.394 1.00 0.00 N ATOM 1219 CA PRO A 855 -1.616 -5.140 10.058 1.00 0.00 C ATOM 1220 C PRO A 855 -0.261 -5.338 9.382 1.00 0.00 C ATOM 1221 O PRO A 855 0.769 -5.441 10.052 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.464 -6.410 9.952 1.00 0.00 C ATOM 1223 CG PRO A 855 -3.859 -5.920 9.788 1.00 0.00 C ATOM 1224 CD PRO A 855 -3.752 -4.653 8.991 1.00 0.00 C ATOM 0 HA PRO A 855 -1.377 -4.860 11.084 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.157 -7.022 9.104 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.364 -7.029 10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.475 -6.657 9.272 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.326 -5.736 10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -3.797 -4.846 7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.560 -3.960 9.225 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.265 -5.376 8.054 1.00 0.00 N ATOM 1233 CA GLY A 856 0.972 -5.543 7.310 1.00 0.00 C ATOM 1234 C GLY A 856 1.883 -4.342 7.456 1.00 0.00 C ATOM 1235 O GLY A 856 3.084 -4.483 7.707 1.00 0.00 O ATOM 0 H GLY A 856 -1.103 -5.294 7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 856 1.489 -6.436 7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.744 -5.700 6.256 1.00 0.00 H new ATOM 1239 N LYS A 857 1.307 -3.157 7.315 1.00 0.00 N ATOM 1240 CA LYS A 857 2.062 -1.919 7.441 1.00 0.00 C ATOM 1241 C LYS A 857 2.620 -1.786 8.858 1.00 0.00 C ATOM 1242 O LYS A 857 3.769 -1.393 9.046 1.00 0.00 O ATOM 1243 CB LYS A 857 1.173 -0.722 7.087 1.00 0.00 C ATOM 1244 CG LYS A 857 1.685 0.609 7.612 1.00 0.00 C ATOM 1245 CD LYS A 857 0.686 1.258 8.555 1.00 0.00 C ATOM 1246 CE LYS A 857 0.678 2.770 8.401 1.00 0.00 C ATOM 1247 NZ LYS A 857 0.785 3.461 9.712 1.00 0.00 N ATOM 0 H LYS A 857 0.316 -3.027 7.113 1.00 0.00 H new ATOM 0 HA LYS A 857 2.900 -1.939 6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 857 1.080 -0.661 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 857 0.173 -0.896 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.631 0.457 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.885 1.278 6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.311 0.865 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 857 0.933 0.997 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 857 1.507 3.074 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -0.240 3.079 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 1.112 4.437 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -0.146 3.474 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 1.464 2.956 10.316 1.00 0.00 H new ATOM 1261 N GLN A 858 1.801 -2.144 9.842 1.00 0.00 N ATOM 1262 CA GLN A 858 2.214 -2.127 11.240 1.00 0.00 C ATOM 1263 C GLN A 858 3.429 -3.020 11.451 1.00 0.00 C ATOM 1264 O GLN A 858 4.355 -2.669 12.188 1.00 0.00 O ATOM 1265 CB GLN A 858 1.067 -2.591 12.136 1.00 0.00 C ATOM 1266 CG GLN A 858 0.349 -1.456 12.840 1.00 0.00 C ATOM 1267 CD GLN A 858 1.040 -1.041 14.122 1.00 0.00 C ATOM 1268 OE1 GLN A 858 0.790 -1.601 15.191 1.00 0.00 O ATOM 1269 NE2 GLN A 858 1.918 -0.058 14.022 1.00 0.00 N ATOM 0 H GLN A 858 0.840 -2.452 9.694 1.00 0.00 H new ATOM 0 HA GLN A 858 2.482 -1.104 11.505 1.00 0.00 H new ATOM 0 HB2 GLN A 858 0.348 -3.146 11.533 1.00 0.00 H new ATOM 0 HB3 GLN A 858 1.457 -3.282 12.883 1.00 0.00 H new ATOM 0 HG2 GLN A 858 0.287 -0.598 12.170 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -0.673 -1.760 13.064 1.00 0.00 H new ATOM 0 HE21 GLN A 858 2.095 0.378 13.117 1.00 0.00 H new ATOM 0 HE22 GLN A 858 2.419 0.265 14.850 1.00 0.00 H new ATOM 1278 N LEU A 859 3.421 -4.178 10.796 1.00 0.00 N ATOM 1279 CA LEU A 859 4.557 -5.088 10.840 1.00 0.00 C ATOM 1280 C LEU A 859 5.804 -4.393 10.301 1.00 0.00 C ATOM 1281 O LEU A 859 6.884 -4.502 10.876 1.00 0.00 O ATOM 1282 CB LEU A 859 4.270 -6.349 10.023 1.00 0.00 C ATOM 1283 CG LEU A 859 3.460 -7.427 10.745 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.769 -8.335 9.741 1.00 0.00 C ATOM 1285 CD2 LEU A 859 4.355 -8.235 11.672 1.00 0.00 C ATOM 0 H LEU A 859 2.639 -4.506 10.229 1.00 0.00 H new ATOM 0 HA LEU A 859 4.727 -5.377 11.877 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.735 -6.061 9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 859 5.220 -6.782 9.708 1.00 0.00 H new ATOM 0 HG LEU A 859 2.695 -6.938 11.348 1.00 0.00 H new ATOM 0 HD11 LEU A 859 2.197 -9.096 10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 859 2.097 -7.744 9.119 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.517 -8.817 9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 859 3.762 -8.997 12.177 1.00 0.00 H new ATOM 0 HD22 LEU A 859 5.143 -8.714 11.091 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.803 -7.573 12.413 1.00 0.00 H new ATOM 1297 N CYS A 860 5.631 -3.656 9.210 1.00 0.00 N ATOM 1298 CA CYS A 860 6.734 -2.942 8.574 1.00 0.00 C ATOM 1299 C CYS A 860 7.269 -1.813 9.465 1.00 0.00 C ATOM 1300 O CYS A 860 8.469 -1.535 9.476 1.00 0.00 O ATOM 1301 CB CYS A 860 6.283 -2.385 7.225 1.00 0.00 C ATOM 1302 SG CYS A 860 5.429 -3.587 6.178 1.00 0.00 S ATOM 0 H CYS A 860 4.732 -3.536 8.744 1.00 0.00 H new ATOM 0 HA CYS A 860 7.548 -3.650 8.420 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.622 -1.535 7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 860 7.155 -2.008 6.690 1.00 0.00 H new ATOM 0 HG CYS A 860 4.364 -4.014 6.788 1.00 0.00 H new ATOM 1308 N GLU A 861 6.379 -1.165 10.210 1.00 0.00 N ATOM 1309 CA GLU A 861 6.785 -0.110 11.139 1.00 0.00 C ATOM 1310 C GLU A 861 7.629 -0.699 12.269 1.00 0.00 C ATOM 1311 O GLU A 861 8.721 -0.208 12.581 1.00 0.00 O ATOM 1312 CB GLU A 861 5.557 0.603 11.717 1.00 0.00 C ATOM 1313 CG GLU A 861 4.545 1.021 10.665 1.00 0.00 C ATOM 1314 CD GLU A 861 3.753 2.247 11.060 1.00 0.00 C ATOM 1315 OE1 GLU A 861 4.338 3.348 11.099 1.00 0.00 O ATOM 1316 OE2 GLU A 861 2.540 2.121 11.321 1.00 0.00 O ATOM 0 H GLU A 861 5.376 -1.349 10.191 1.00 0.00 H new ATOM 0 HA GLU A 861 7.383 0.619 10.592 1.00 0.00 H new ATOM 0 HB2 GLU A 861 5.070 -0.056 12.436 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.885 1.486 12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 861 5.065 1.218 9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.858 0.195 10.482 1.00 0.00 H new ATOM 1323 N THR A 862 7.124 -1.774 12.858 1.00 0.00 N ATOM 1324 CA THR A 862 7.848 -2.480 13.903 1.00 0.00 C ATOM 1325 C THR A 862 9.145 -3.069 13.345 1.00 0.00 C ATOM 1326 O THR A 862 10.148 -3.164 14.051 1.00 0.00 O ATOM 1327 CB THR A 862 6.990 -3.599 14.523 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.620 -3.178 14.609 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.496 -3.968 15.912 1.00 0.00 C ATOM 0 H THR A 862 6.215 -2.176 12.629 1.00 0.00 H new ATOM 0 HA THR A 862 8.086 -1.760 14.686 1.00 0.00 H new ATOM 0 HB THR A 862 7.063 -4.477 13.881 1.00 0.00 H new ATOM 0 HG1 THR A 862 5.221 -3.178 13.714 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.873 -4.760 16.328 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.527 -4.315 15.843 1.00 0.00 H new ATOM 0 HG23 THR A 862 7.450 -3.093 16.560 1.00 0.00 H new ATOM 1337 N LEU A 863 9.119 -3.446 12.070 1.00 0.00 N ATOM 1338 CA LEU A 863 10.308 -3.933 11.387 1.00 0.00 C ATOM 1339 C LEU A 863 11.370 -2.843 11.331 1.00 0.00 C ATOM 1340 O LEU A 863 12.545 -3.110 11.554 1.00 0.00 O ATOM 1341 CB LEU A 863 9.963 -4.394 9.970 1.00 0.00 C ATOM 1342 CG LEU A 863 10.172 -5.882 9.702 1.00 0.00 C ATOM 1343 CD1 LEU A 863 9.286 -6.341 8.557 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.632 -6.164 9.393 1.00 0.00 C ATOM 0 H LEU A 863 8.281 -3.422 11.488 1.00 0.00 H new ATOM 0 HA LEU A 863 10.700 -4.782 11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.920 -4.148 9.769 1.00 0.00 H new ATOM 0 HB3 LEU A 863 10.567 -3.825 9.263 1.00 0.00 H new ATOM 0 HG LEU A 863 9.896 -6.440 10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 863 9.446 -7.404 8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 863 8.241 -6.169 8.814 1.00 0.00 H new ATOM 0 HD13 LEU A 863 9.535 -5.779 7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.765 -7.229 9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 863 11.933 -5.599 8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 863 12.248 -5.866 10.242 1.00 0.00 H new ATOM 1356 N GLU A 864 10.945 -1.617 11.041 1.00 0.00 N ATOM 1357 CA GLU A 864 11.853 -0.476 11.021 1.00 0.00 C ATOM 1358 C GLU A 864 12.532 -0.326 12.377 1.00 0.00 C ATOM 1359 O GLU A 864 13.745 -0.121 12.460 1.00 0.00 O ATOM 1360 CB GLU A 864 11.099 0.805 10.665 1.00 0.00 C ATOM 1361 CG GLU A 864 11.076 1.106 9.174 1.00 0.00 C ATOM 1362 CD GLU A 864 11.014 2.591 8.883 1.00 0.00 C ATOM 1363 OE1 GLU A 864 10.236 3.305 9.555 1.00 0.00 O ATOM 1364 OE2 GLU A 864 11.733 3.059 7.981 1.00 0.00 O ATOM 0 H GLU A 864 9.977 -1.389 10.816 1.00 0.00 H new ATOM 0 HA GLU A 864 12.614 -0.651 10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 864 10.074 0.725 11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 864 11.557 1.644 11.189 1.00 0.00 H new ATOM 0 HG2 GLU A 864 11.967 0.685 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.216 0.614 8.721 1.00 0.00 H new ATOM 1371 N HIS A 865 11.743 -0.446 13.441 1.00 0.00 N ATOM 1372 CA HIS A 865 12.284 -0.426 14.800 1.00 0.00 C ATOM 1373 C HIS A 865 13.232 -1.608 15.003 1.00 0.00 C ATOM 1374 O HIS A 865 14.339 -1.439 15.505 1.00 0.00 O ATOM 1375 CB HIS A 865 11.139 -0.462 15.831 1.00 0.00 C ATOM 1376 CG HIS A 865 11.564 -0.327 17.274 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.726 0.146 18.258 1.00 0.00 N ATOM 1378 CD2 HIS A 865 12.729 -0.633 17.901 1.00 0.00 C ATOM 1379 CE1 HIS A 865 11.353 0.125 19.420 1.00 0.00 C ATOM 1380 NE2 HIS A 865 12.570 -0.347 19.231 1.00 0.00 N ATOM 0 H HIS A 865 10.730 -0.558 13.391 1.00 0.00 H new ATOM 0 HA HIS A 865 12.845 0.497 14.945 1.00 0.00 H new ATOM 0 HB2 HIS A 865 10.439 0.340 15.599 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.598 -1.401 15.715 1.00 0.00 H new ATOM 0 HD2 HIS A 865 13.619 -1.030 17.436 1.00 0.00 H new ATOM 0 HE1 HIS A 865 10.939 0.441 20.366 1.00 0.00 H new ATOM 0 HE2 HIS A 865 13.276 -0.477 19.956 1.00 0.00 H new ATOM 1389 N LEU A 866 12.808 -2.794 14.596 1.00 0.00 N ATOM 1390 CA LEU A 866 13.629 -3.992 14.751 1.00 0.00 C ATOM 1391 C LEU A 866 14.935 -3.868 13.969 1.00 0.00 C ATOM 1392 O LEU A 866 15.964 -4.393 14.384 1.00 0.00 O ATOM 1393 CB LEU A 866 12.858 -5.232 14.295 1.00 0.00 C ATOM 1394 CG LEU A 866 11.705 -5.651 15.211 1.00 0.00 C ATOM 1395 CD1 LEU A 866 11.002 -6.875 14.653 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.209 -5.924 16.619 1.00 0.00 C ATOM 0 H LEU A 866 11.902 -2.956 14.156 1.00 0.00 H new ATOM 0 HA LEU A 866 13.872 -4.097 15.808 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.460 -5.047 13.297 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.556 -6.065 14.211 1.00 0.00 H new ATOM 0 HG LEU A 866 10.989 -4.830 15.257 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.185 -7.159 15.316 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.604 -6.647 13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.711 -7.699 14.577 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.374 -6.220 17.253 1.00 0.00 H new ATOM 0 HD22 LEU A 866 12.947 -6.726 16.592 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.669 -5.022 17.022 1.00 0.00 H new ATOM 1408 N ILE A 867 14.893 -3.159 12.849 1.00 0.00 N ATOM 1409 CA ILE A 867 16.085 -2.936 12.040 1.00 0.00 C ATOM 1410 C ILE A 867 17.004 -1.940 12.739 1.00 0.00 C ATOM 1411 O ILE A 867 18.220 -2.128 12.791 1.00 0.00 O ATOM 1412 CB ILE A 867 15.720 -2.429 10.623 1.00 0.00 C ATOM 1413 CG1 ILE A 867 15.196 -3.585 9.768 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.917 -1.774 9.940 1.00 0.00 C ATOM 1415 CD1 ILE A 867 14.284 -3.146 8.644 1.00 0.00 C ATOM 0 H ILE A 867 14.046 -2.728 12.479 1.00 0.00 H new ATOM 0 HA ILE A 867 16.604 -3.888 11.927 1.00 0.00 H new ATOM 0 HB ILE A 867 14.939 -1.676 10.728 1.00 0.00 H new ATOM 0 HG12 ILE A 867 16.043 -4.126 9.346 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.658 -4.284 10.408 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.626 -1.430 8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.255 -0.925 10.534 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.726 -2.499 9.850 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.953 -4.019 8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.417 -2.631 9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.824 -2.471 7.980 1.00 0.00 H new ATOM 1427 N ARG A 868 16.402 -0.898 13.303 1.00 0.00 N ATOM 1428 CA ARG A 868 17.137 0.110 14.050 1.00 0.00 C ATOM 1429 C ARG A 868 17.748 -0.503 15.313 1.00 0.00 C ATOM 1430 O ARG A 868 18.808 -0.083 15.776 1.00 0.00 O ATOM 1431 CB ARG A 868 16.199 1.286 14.384 1.00 0.00 C ATOM 1432 CG ARG A 868 15.695 1.316 15.808 1.00 0.00 C ATOM 1433 CD ARG A 868 16.481 2.303 16.641 1.00 0.00 C ATOM 1434 NE ARG A 868 15.793 3.583 16.805 1.00 0.00 N ATOM 1435 CZ ARG A 868 16.120 4.487 17.730 1.00 0.00 C ATOM 1436 NH1 ARG A 868 17.135 4.254 18.554 1.00 0.00 N ATOM 1437 NH2 ARG A 868 15.443 5.627 17.818 1.00 0.00 N ATOM 0 H ARG A 868 15.397 -0.731 13.254 1.00 0.00 H new ATOM 0 HA ARG A 868 17.959 0.490 13.443 1.00 0.00 H new ATOM 0 HB2 ARG A 868 16.724 2.219 14.181 1.00 0.00 H new ATOM 0 HB3 ARG A 868 15.342 1.250 13.712 1.00 0.00 H new ATOM 0 HG2 ARG A 868 14.639 1.586 15.818 1.00 0.00 H new ATOM 0 HG3 ARG A 868 15.774 0.321 16.246 1.00 0.00 H new ATOM 0 HD2 ARG A 868 16.673 1.871 17.623 1.00 0.00 H new ATOM 0 HD3 ARG A 868 17.451 2.475 16.174 1.00 0.00 H new ATOM 0 HE ARG A 868 15.019 3.797 16.176 1.00 0.00 H new ATOM 0 HH11 ARG A 868 17.663 3.385 18.479 1.00 0.00 H new ATOM 0 HH12 ARG A 868 17.386 4.944 19.262 1.00 0.00 H new ATOM 0 HH21 ARG A 868 14.671 5.813 17.177 1.00 0.00 H new ATOM 0 HH22 ARG A 868 15.695 6.316 18.526 1.00 0.00 H new ATOM 1451 N GLU A 869 17.069 -1.505 15.854 1.00 0.00 N ATOM 1452 CA GLU A 869 17.514 -2.215 17.029 1.00 0.00 C ATOM 1453 C GLU A 869 18.504 -3.316 16.658 1.00 0.00 C ATOM 1454 O GLU A 869 19.282 -3.779 17.495 1.00 0.00 O ATOM 1455 CB GLU A 869 16.292 -2.819 17.709 1.00 0.00 C ATOM 1456 CG GLU A 869 16.510 -3.128 19.163 1.00 0.00 C ATOM 1457 CD GLU A 869 15.261 -2.942 19.992 1.00 0.00 C ATOM 1458 OE1 GLU A 869 14.830 -1.782 20.173 1.00 0.00 O ATOM 1459 OE2 GLU A 869 14.710 -3.954 20.470 1.00 0.00 O ATOM 0 H GLU A 869 16.184 -1.846 15.479 1.00 0.00 H new ATOM 0 HA GLU A 869 18.023 -1.525 17.702 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.454 -2.129 17.614 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.011 -3.735 17.189 1.00 0.00 H new ATOM 0 HG2 GLU A 869 16.858 -4.156 19.264 1.00 0.00 H new ATOM 0 HG3 GLU A 869 17.299 -2.485 19.553 1.00 0.00 H new ATOM 1466 N LYS A 870 18.467 -3.708 15.388 1.00 0.00 N ATOM 1467 CA LYS A 870 19.252 -4.824 14.874 1.00 0.00 C ATOM 1468 C LYS A 870 18.818 -6.136 15.524 1.00 0.00 C ATOM 1469 O LYS A 870 19.643 -6.991 15.859 1.00 0.00 O ATOM 1470 CB LYS A 870 20.752 -4.588 15.062 1.00 0.00 C ATOM 1471 CG LYS A 870 21.524 -4.599 13.756 1.00 0.00 C ATOM 1472 CD LYS A 870 22.621 -3.549 13.742 1.00 0.00 C ATOM 1473 CE LYS A 870 22.264 -2.377 12.845 1.00 0.00 C ATOM 1474 NZ LYS A 870 23.218 -1.248 13.004 1.00 0.00 N ATOM 0 H LYS A 870 17.886 -3.256 14.682 1.00 0.00 H new ATOM 0 HA LYS A 870 19.064 -4.896 13.803 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.904 -3.630 15.559 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.155 -5.356 15.722 1.00 0.00 H new ATOM 0 HG2 LYS A 870 21.962 -5.585 13.601 1.00 0.00 H new ATOM 0 HG3 LYS A 870 20.839 -4.421 12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 870 22.795 -3.191 14.757 1.00 0.00 H new ATOM 0 HD3 LYS A 870 23.552 -4.000 13.399 1.00 0.00 H new ATOM 0 HE2 LYS A 870 22.258 -2.704 11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 870 21.255 -2.036 13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 22.940 -0.468 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 23.205 -0.919 13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 24.177 -1.566 12.758 1.00 0.00 H new ATOM 1488 N ASP A 871 17.509 -6.285 15.690 1.00 0.00 N ATOM 1489 CA ASP A 871 16.926 -7.523 16.193 1.00 0.00 C ATOM 1490 C ASP A 871 16.767 -8.498 15.038 1.00 0.00 C ATOM 1491 O ASP A 871 15.675 -8.664 14.498 1.00 0.00 O ATOM 1492 CB ASP A 871 15.566 -7.250 16.845 1.00 0.00 C ATOM 1493 CG ASP A 871 15.121 -8.358 17.784 1.00 0.00 C ATOM 1494 OD1 ASP A 871 14.730 -9.444 17.303 1.00 0.00 O ATOM 1495 OD2 ASP A 871 15.147 -8.141 19.015 1.00 0.00 O ATOM 0 H ASP A 871 16.826 -5.557 15.481 1.00 0.00 H new ATOM 0 HA ASP A 871 17.584 -7.952 16.949 1.00 0.00 H new ATOM 0 HB2 ASP A 871 15.617 -6.312 17.398 1.00 0.00 H new ATOM 0 HB3 ASP A 871 14.816 -7.120 16.065 1.00 0.00 H new ATOM 1500 N VAL A 872 17.878 -9.115 14.651 1.00 0.00 N ATOM 1501 CA VAL A 872 17.930 -9.985 13.477 1.00 0.00 C ATOM 1502 C VAL A 872 16.800 -11.023 13.455 1.00 0.00 C ATOM 1503 O VAL A 872 16.048 -11.078 12.481 1.00 0.00 O ATOM 1504 CB VAL A 872 19.292 -10.703 13.356 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.518 -11.185 11.930 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.424 -9.786 13.799 1.00 0.00 C ATOM 0 H VAL A 872 18.769 -9.028 15.141 1.00 0.00 H new ATOM 0 HA VAL A 872 17.797 -9.325 12.619 1.00 0.00 H new ATOM 0 HB VAL A 872 19.280 -11.572 14.013 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.483 -11.688 11.865 1.00 0.00 H new ATOM 0 HG12 VAL A 872 18.726 -11.880 11.651 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.507 -10.332 11.252 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.375 -10.311 13.706 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.438 -8.896 13.171 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.271 -9.494 14.838 1.00 0.00 H new ATOM 1516 N PRO A 873 16.648 -11.850 14.518 1.00 0.00 N ATOM 1517 CA PRO A 873 15.586 -12.863 14.576 1.00 0.00 C ATOM 1518 C PRO A 873 14.201 -12.262 14.354 1.00 0.00 C ATOM 1519 O PRO A 873 13.391 -12.807 13.601 1.00 0.00 O ATOM 1520 CB PRO A 873 15.702 -13.433 15.992 1.00 0.00 C ATOM 1521 CG PRO A 873 17.112 -13.174 16.388 1.00 0.00 C ATOM 1522 CD PRO A 873 17.486 -11.875 15.733 1.00 0.00 C ATOM 0 HA PRO A 873 15.701 -13.614 13.794 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.004 -12.947 16.673 1.00 0.00 H new ATOM 0 HB3 PRO A 873 15.475 -14.499 16.010 1.00 0.00 H new ATOM 0 HG2 PRO A 873 17.209 -13.108 17.472 1.00 0.00 H new ATOM 0 HG3 PRO A 873 17.766 -13.981 16.058 1.00 0.00 H new ATOM 0 HD2 PRO A 873 17.279 -11.024 16.382 1.00 0.00 H new ATOM 0 HD3 PRO A 873 18.548 -11.839 15.489 1.00 0.00 H new ATOM 1530 N GLY A 874 13.944 -11.123 14.989 1.00 0.00 N ATOM 1531 CA GLY A 874 12.668 -10.461 14.827 1.00 0.00 C ATOM 1532 C GLY A 874 12.472 -9.939 13.419 1.00 0.00 C ATOM 1533 O GLY A 874 11.376 -10.031 12.869 1.00 0.00 O ATOM 0 H GLY A 874 14.598 -10.649 15.612 1.00 0.00 H new ATOM 0 HA2 GLY A 874 11.865 -11.157 15.070 1.00 0.00 H new ATOM 0 HA3 GLY A 874 12.597 -9.634 15.533 1.00 0.00 H new ATOM 1537 N ILE A 875 13.542 -9.408 12.832 1.00 0.00 N ATOM 1538 CA ILE A 875 13.493 -8.873 11.478 1.00 0.00 C ATOM 1539 C ILE A 875 13.032 -9.940 10.487 1.00 0.00 C ATOM 1540 O ILE A 875 12.007 -9.775 9.823 1.00 0.00 O ATOM 1541 CB ILE A 875 14.868 -8.314 11.031 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.213 -7.051 11.825 1.00 0.00 C ATOM 1543 CG2 ILE A 875 14.874 -8.012 9.535 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.680 -6.682 11.765 1.00 0.00 C ATOM 0 H ILE A 875 14.457 -9.338 13.277 1.00 0.00 H new ATOM 0 HA ILE A 875 12.774 -8.054 11.487 1.00 0.00 H new ATOM 0 HB ILE A 875 15.623 -9.074 11.230 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.621 -6.219 11.444 1.00 0.00 H new ATOM 0 HG13 ILE A 875 14.925 -7.196 12.866 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.850 -7.621 9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.671 -8.927 8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.106 -7.272 9.310 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.852 -5.778 12.349 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.277 -7.497 12.173 1.00 0.00 H new ATOM 0 HD13 ILE A 875 16.968 -6.505 10.729 1.00 0.00 H new ATOM 1556 N GLU A 876 13.766 -11.048 10.418 1.00 0.00 N ATOM 1557 CA GLU A 876 13.464 -12.094 9.446 1.00 0.00 C ATOM 1558 C GLU A 876 12.107 -12.732 9.733 1.00 0.00 C ATOM 1559 O GLU A 876 11.358 -13.055 8.808 1.00 0.00 O ATOM 1560 CB GLU A 876 14.563 -13.163 9.418 1.00 0.00 C ATOM 1561 CG GLU A 876 15.085 -13.559 10.787 1.00 0.00 C ATOM 1562 CD GLU A 876 16.124 -14.658 10.715 1.00 0.00 C ATOM 1563 OE1 GLU A 876 16.144 -15.405 9.715 1.00 0.00 O ATOM 1564 OE2 GLU A 876 16.928 -14.785 11.661 1.00 0.00 O ATOM 0 H GLU A 876 14.567 -11.243 11.018 1.00 0.00 H new ATOM 0 HA GLU A 876 13.423 -11.625 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.177 -14.051 8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.395 -12.796 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 876 15.518 -12.685 11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 876 14.253 -13.890 11.408 1.00 0.00 H new ATOM 1571 N LYS A 877 11.783 -12.886 11.013 1.00 0.00 N ATOM 1572 CA LYS A 877 10.502 -13.454 11.411 1.00 0.00 C ATOM 1573 C LYS A 877 9.350 -12.563 10.963 1.00 0.00 C ATOM 1574 O LYS A 877 8.303 -13.053 10.539 1.00 0.00 O ATOM 1575 CB LYS A 877 10.450 -13.648 12.925 1.00 0.00 C ATOM 1576 CG LYS A 877 10.724 -15.077 13.359 1.00 0.00 C ATOM 1577 CD LYS A 877 9.633 -15.597 14.276 1.00 0.00 C ATOM 1578 CE LYS A 877 10.062 -15.539 15.730 1.00 0.00 C ATOM 1579 NZ LYS A 877 9.173 -16.352 16.599 1.00 0.00 N ATOM 0 H LYS A 877 12.390 -12.625 11.791 1.00 0.00 H new ATOM 0 HA LYS A 877 10.400 -14.425 10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.179 -12.987 13.394 1.00 0.00 H new ATOM 0 HB3 LYS A 877 9.467 -13.348 13.289 1.00 0.00 H new ATOM 0 HG2 LYS A 877 10.798 -15.718 12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 877 11.685 -15.125 13.871 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.727 -15.007 14.138 1.00 0.00 H new ATOM 0 HD3 LYS A 877 9.388 -16.625 14.007 1.00 0.00 H new ATOM 0 HE2 LYS A 877 11.087 -15.898 15.821 1.00 0.00 H new ATOM 0 HE3 LYS A 877 10.055 -14.503 16.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 9.498 -16.288 17.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 8.199 -15.994 16.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 9.199 -17.345 16.290 1.00 0.00 H new ATOM 1593 N TYR A 878 9.546 -11.255 11.047 1.00 0.00 N ATOM 1594 CA TYR A 878 8.516 -10.310 10.646 1.00 0.00 C ATOM 1595 C TYR A 878 8.332 -10.325 9.134 1.00 0.00 C ATOM 1596 O TYR A 878 7.206 -10.286 8.640 1.00 0.00 O ATOM 1597 CB TYR A 878 8.853 -8.901 11.130 1.00 0.00 C ATOM 1598 CG TYR A 878 8.268 -8.579 12.487 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.166 -9.556 13.471 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.818 -7.300 12.787 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.630 -9.269 14.709 1.00 0.00 C ATOM 1602 CE2 TYR A 878 7.280 -7.006 14.025 1.00 0.00 C ATOM 1603 CZ TYR A 878 7.191 -7.994 14.982 1.00 0.00 C ATOM 1604 OH TYR A 878 6.659 -7.708 16.219 1.00 0.00 O ATOM 0 H TYR A 878 10.406 -10.826 11.388 1.00 0.00 H new ATOM 0 HA TYR A 878 7.578 -10.615 11.110 1.00 0.00 H new ATOM 0 HB2 TYR A 878 9.936 -8.788 11.173 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.486 -8.177 10.403 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.513 -10.557 13.262 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.890 -6.523 12.041 1.00 0.00 H new ATOM 0 HE1 TYR A 878 7.555 -10.041 15.460 1.00 0.00 H new ATOM 0 HE2 TYR A 878 6.931 -6.007 14.242 1.00 0.00 H new ATOM 0 HH TYR A 878 7.070 -8.287 16.894 1.00 0.00 H new ATOM 1614 N ILE A 879 9.437 -10.405 8.397 1.00 0.00 N ATOM 1615 CA ILE A 879 9.364 -10.520 6.942 1.00 0.00 C ATOM 1616 C ILE A 879 8.698 -11.840 6.553 1.00 0.00 C ATOM 1617 O ILE A 879 8.025 -11.931 5.527 1.00 0.00 O ATOM 1618 CB ILE A 879 10.754 -10.421 6.269 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.542 -9.241 6.836 1.00 0.00 C ATOM 1620 CG2 ILE A 879 10.601 -10.269 4.761 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.009 -9.255 6.464 1.00 0.00 C ATOM 0 H ILE A 879 10.383 -10.393 8.777 1.00 0.00 H new ATOM 0 HA ILE A 879 8.767 -9.681 6.585 1.00 0.00 H new ATOM 0 HB ILE A 879 11.303 -11.339 6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.095 -8.313 6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.452 -9.243 7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 879 11.587 -10.200 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.072 -11.134 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.035 -9.364 4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.504 -8.388 6.902 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.472 -10.166 6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.110 -9.221 5.379 1.00 0.00 H new ATOM 1633 N SER A 880 8.878 -12.859 7.386 1.00 0.00 N ATOM 1634 CA SER A 880 8.217 -14.141 7.175 1.00 0.00 C ATOM 1635 C SER A 880 6.707 -13.996 7.376 1.00 0.00 C ATOM 1636 O SER A 880 5.914 -14.595 6.650 1.00 0.00 O ATOM 1637 CB SER A 880 8.778 -15.203 8.124 1.00 0.00 C ATOM 1638 OG SER A 880 10.186 -15.318 7.985 1.00 0.00 O ATOM 0 H SER A 880 9.475 -12.822 8.212 1.00 0.00 H new ATOM 0 HA SER A 880 8.408 -14.462 6.151 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.531 -14.943 9.153 1.00 0.00 H new ATOM 0 HB3 SER A 880 8.309 -16.165 7.917 1.00 0.00 H new ATOM 0 HG SER A 880 10.614 -14.495 8.300 1.00 0.00 H new ATOM 1644 N ASP A 881 6.321 -13.179 8.350 1.00 0.00 N ATOM 1645 CA ASP A 881 4.907 -12.938 8.644 1.00 0.00 C ATOM 1646 C ASP A 881 4.265 -12.068 7.564 1.00 0.00 C ATOM 1647 O ASP A 881 3.080 -12.210 7.258 1.00 0.00 O ATOM 1648 CB ASP A 881 4.749 -12.280 10.017 1.00 0.00 C ATOM 1649 CG ASP A 881 3.502 -12.738 10.753 1.00 0.00 C ATOM 1650 OD1 ASP A 881 3.118 -13.922 10.620 1.00 0.00 O ATOM 1651 OD2 ASP A 881 2.914 -11.924 11.492 1.00 0.00 O ATOM 0 H ASP A 881 6.967 -12.670 8.953 1.00 0.00 H new ATOM 0 HA ASP A 881 4.397 -13.901 8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 881 5.626 -12.504 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 881 4.715 -11.198 9.894 1.00 0.00 H new ATOM 1656 N ILE A 882 5.048 -11.168 6.989 1.00 0.00 N ATOM 1657 CA ILE A 882 4.589 -10.364 5.862 1.00 0.00 C ATOM 1658 C ILE A 882 4.456 -11.241 4.619 1.00 0.00 C ATOM 1659 O ILE A 882 3.554 -11.059 3.795 1.00 0.00 O ATOM 1660 CB ILE A 882 5.549 -9.188 5.575 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.513 -8.180 6.725 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.196 -8.507 4.259 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.442 -7.000 6.528 1.00 0.00 C ATOM 0 H ILE A 882 6.005 -10.974 7.283 1.00 0.00 H new ATOM 0 HA ILE A 882 3.616 -9.947 6.122 1.00 0.00 H new ATOM 0 HB ILE A 882 6.560 -9.586 5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.493 -7.813 6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 882 5.778 -8.689 7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 882 5.886 -7.683 4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.272 -9.228 3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.177 -8.123 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.363 -6.328 7.382 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.469 -7.356 6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.164 -6.466 5.619 1.00 0.00 H new ATOM 1675 N ASP A 883 5.342 -12.222 4.514 1.00 0.00 N ATOM 1676 CA ASP A 883 5.378 -13.109 3.361 1.00 0.00 C ATOM 1677 C ASP A 883 4.179 -14.034 3.403 1.00 0.00 C ATOM 1678 O ASP A 883 3.561 -14.326 2.380 1.00 0.00 O ATOM 1679 CB ASP A 883 6.678 -13.916 3.369 1.00 0.00 C ATOM 1680 CG ASP A 883 6.740 -14.968 2.281 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.698 -14.613 1.088 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.854 -16.165 2.622 1.00 0.00 O ATOM 0 H ASP A 883 6.050 -12.424 5.220 1.00 0.00 H new ATOM 0 HA ASP A 883 5.341 -12.522 2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.521 -13.234 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 883 6.790 -14.400 4.339 1.00 0.00 H new ATOM 1687 N SER A 884 3.844 -14.462 4.608 1.00 0.00 N ATOM 1688 CA SER A 884 2.690 -15.308 4.832 1.00 0.00 C ATOM 1689 C SER A 884 1.401 -14.497 4.699 1.00 0.00 C ATOM 1690 O SER A 884 0.366 -15.024 4.292 1.00 0.00 O ATOM 1691 CB SER A 884 2.799 -15.947 6.212 1.00 0.00 C ATOM 1692 OG SER A 884 3.310 -15.028 7.153 1.00 0.00 O ATOM 0 H SER A 884 4.364 -14.232 5.455 1.00 0.00 H new ATOM 0 HA SER A 884 2.662 -16.096 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 884 1.818 -16.296 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.448 -16.821 6.162 1.00 0.00 H new ATOM 0 HG SER A 884 4.285 -15.116 7.200 1.00 0.00 H new ATOM 1698 N TYR A 885 1.488 -13.208 5.029 1.00 0.00 N ATOM 1699 CA TYR A 885 0.373 -12.274 4.848 1.00 0.00 C ATOM 1700 C TYR A 885 0.022 -12.193 3.378 1.00 0.00 C ATOM 1701 O TYR A 885 -1.104 -12.462 2.957 1.00 0.00 O ATOM 1702 CB TYR A 885 0.785 -10.879 5.319 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.359 -9.996 5.769 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -1.313 -10.446 6.673 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.481 -8.702 5.276 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -2.356 -9.628 7.075 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.518 -7.880 5.674 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.452 -8.346 6.570 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.482 -7.519 6.965 1.00 0.00 O ATOM 0 H TYR A 885 2.326 -12.783 5.426 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.482 -12.626 5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.491 -10.983 6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.314 -10.379 4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -1.240 -11.448 7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.248 -8.333 4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -3.090 -9.991 7.779 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.595 -6.876 5.283 1.00 0.00 H new ATOM 0 HH TYR A 885 -3.397 -6.653 6.514 1.00 0.00 H new ATOM 1719 N VAL A 886 1.023 -11.828 2.607 1.00 0.00 N ATOM 1720 CA VAL A 886 0.906 -11.728 1.173 1.00 0.00 C ATOM 1721 C VAL A 886 0.490 -13.086 0.591 1.00 0.00 C ATOM 1722 O VAL A 886 -0.316 -13.158 -0.334 1.00 0.00 O ATOM 1723 CB VAL A 886 2.254 -11.229 0.599 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.706 -12.027 -0.609 1.00 0.00 C ATOM 1725 CG2 VAL A 886 2.180 -9.754 0.248 1.00 0.00 C ATOM 0 H VAL A 886 1.949 -11.591 2.964 1.00 0.00 H new ATOM 0 HA VAL A 886 0.133 -11.011 0.896 1.00 0.00 H new ATOM 0 HB VAL A 886 2.996 -11.376 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.656 -11.634 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 886 2.829 -13.073 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 886 1.958 -11.948 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 886 3.139 -9.427 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.402 -9.596 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.946 -9.178 1.143 1.00 0.00 H new ATOM 1735 N LYS A 887 1.009 -14.157 1.191 1.00 0.00 N ATOM 1736 CA LYS A 887 0.676 -15.518 0.795 1.00 0.00 C ATOM 1737 C LYS A 887 -0.824 -15.777 0.889 1.00 0.00 C ATOM 1738 O LYS A 887 -1.408 -16.379 -0.008 1.00 0.00 O ATOM 1739 CB LYS A 887 1.414 -16.511 1.684 1.00 0.00 C ATOM 1740 CG LYS A 887 2.129 -17.603 0.923 1.00 0.00 C ATOM 1741 CD LYS A 887 1.912 -18.949 1.586 1.00 0.00 C ATOM 1742 CE LYS A 887 2.814 -20.019 0.994 1.00 0.00 C ATOM 1743 NZ LYS A 887 3.722 -20.600 2.018 1.00 0.00 N ATOM 0 H LYS A 887 1.672 -14.102 1.965 1.00 0.00 H new ATOM 0 HA LYS A 887 0.982 -15.646 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.140 -15.970 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 887 0.701 -16.968 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 887 1.765 -17.635 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.195 -17.383 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 887 2.103 -18.863 2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 887 0.870 -19.247 1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 887 2.203 -20.810 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 887 3.405 -19.590 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 4.322 -21.326 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 4.322 -19.849 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 3.158 -21.031 2.778 1.00 0.00 H new ATOM 1757 N SER A 888 -1.445 -15.326 1.974 1.00 0.00 N ATOM 1758 CA SER A 888 -2.865 -15.580 2.196 1.00 0.00 C ATOM 1759 C SER A 888 -3.730 -14.580 1.434 1.00 0.00 C ATOM 1760 O SER A 888 -4.919 -14.815 1.209 1.00 0.00 O ATOM 1761 CB SER A 888 -3.194 -15.538 3.692 1.00 0.00 C ATOM 1762 OG SER A 888 -2.236 -14.784 4.414 1.00 0.00 O ATOM 0 H SER A 888 -0.991 -14.786 2.710 1.00 0.00 H new ATOM 0 HA SER A 888 -3.088 -16.578 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 888 -4.183 -15.104 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.231 -16.554 4.086 1.00 0.00 H new ATOM 0 HG SER A 888 -1.389 -15.276 4.447 1.00 0.00 H new ATOM 1768 N LEU A 889 -3.131 -13.466 1.039 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.840 -12.452 0.272 1.00 0.00 C ATOM 1770 C LEU A 889 -3.781 -12.753 -1.225 1.00 0.00 C ATOM 1771 O LEU A 889 -4.528 -12.168 -2.014 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.262 -11.068 0.564 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.535 -10.549 1.976 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -2.709 -9.306 2.258 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -5.016 -10.263 2.155 1.00 0.00 C ATOM 0 H LEU A 889 -2.156 -13.241 1.237 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.887 -12.466 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.184 -11.098 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.671 -10.359 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 889 -3.244 -11.318 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -2.917 -8.952 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -1.649 -9.545 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.967 -8.527 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -5.196 -9.894 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -5.331 -9.510 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -5.585 -11.179 1.997 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.881 -13.646 -1.615 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.810 -14.102 -2.997 1.00 0.00 C ATOM 1789 C LEU A 890 -3.994 -15.011 -3.322 1.00 0.00 C ATOM 1790 O LEU A 890 -4.299 -15.901 -2.504 1.00 0.00 O ATOM 1791 CB LEU A 890 -1.496 -14.844 -3.252 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.245 -13.963 -3.281 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.975 -14.779 -3.681 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -0.438 -12.789 -4.229 1.00 0.00 C ATOM 1795 OXT LEU A 890 -4.617 -14.829 -4.386 1.00 0.00 O ATOM 0 H LEU A 890 -2.191 -14.069 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 890 -2.850 -13.227 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.369 -15.602 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -1.573 -15.370 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 890 -0.080 -13.569 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.854 -14.135 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 890 1.127 -15.584 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.819 -15.204 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 890 0.462 -12.175 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -0.630 -13.162 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -1.285 -12.188 -3.897 1.00 0.00 H new