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 Set 1.1: A 808 SER OG : rot 75:sc= 0.418 USER MOD Set 1.2: A 810 TYR OH : rot 72:sc= 1.29 USER MOD Single : A 802 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 804 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Single : A 806 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 811 TYR OH : rot 180:sc= 0 USER MOD Single : A 817 THR OG1 : rot -50:sc= 0.815 USER MOD Single : A 823 LYS NZ :NH3+ -155:sc= 1.31 (180deg=0.904) USER MOD Single : A 826 TYR OH : rot 180:sc= 0 USER MOD Single : A 827 THR OG1 : rot 67:sc= 1.09 USER MOD Single : A 831 THR OG1 : rot 110:sc= -0.315 USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 839 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 840 THR OG1 : rot 83:sc= 1.3 USER MOD Single : A 842 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 845 LYS NZ :NH3+ -134:sc= 2.35 (180deg=0.461) USER MOD Single : A 850 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 852 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.6) USER MOD Single : A 857 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 860 CYS SG : rot 68:sc= -1.53! USER MOD Single : A 862 THR OG1 : rot 72:sc= 0.564 USER MOD Single : A 865 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.41) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ -158:sc= 2.25 (180deg=1.59) USER MOD Single : A 878 TYR OH : rot 30:sc= 0 USER MOD Single : A 880 SER OG : rot 180:sc= 0.011 USER MOD Single : A 884 SER OG : rot -91:sc= 0.149 USER MOD Single : A 885 TYR OH : rot -15:sc= -0.332 USER MOD Single : A 887 LYS NZ :NH3+ -110:sc= 0.691 (180deg=-0.624!) USER MOD Single : A 888 SER OG : rot 96:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -8.521 -8.462 1.454 1.00 0.00 N ATOM 407 CA ASN A 802 -8.555 -8.778 0.031 1.00 0.00 C ATOM 408 C ASN A 802 -9.715 -8.069 -0.657 1.00 0.00 C ATOM 409 O ASN A 802 -9.557 -7.507 -1.742 1.00 0.00 O ATOM 410 CB ASN A 802 -8.659 -10.294 -0.171 1.00 0.00 C ATOM 411 CG ASN A 802 -8.980 -10.680 -1.603 1.00 0.00 C ATOM 412 OD1 ASN A 802 -8.186 -10.449 -2.516 1.00 0.00 O ATOM 413 ND2 ASN A 802 -10.145 -11.277 -1.809 1.00 0.00 N ATOM 0 HA ASN A 802 -7.628 -8.425 -0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -7.718 -10.760 0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -9.431 -10.691 0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -10.412 -11.563 -2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -10.775 -11.450 -1.026 1.00 0.00 H new ATOM 420 N ALA A 803 -10.868 -8.084 -0.005 1.00 0.00 N ATOM 421 CA ALA A 803 -12.071 -7.460 -0.541 1.00 0.00 C ATOM 422 C ALA A 803 -11.857 -5.974 -0.813 1.00 0.00 C ATOM 423 O ALA A 803 -12.208 -5.473 -1.881 1.00 0.00 O ATOM 424 CB ALA A 803 -13.228 -7.658 0.422 1.00 0.00 C ATOM 0 H ALA A 803 -10.997 -8.526 0.905 1.00 0.00 H new ATOM 0 HA ALA A 803 -12.306 -7.939 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -14.124 -7.189 0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -13.407 -8.724 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -12.984 -7.203 1.382 1.00 0.00 H new ATOM 430 N GLN A 804 -11.277 -5.277 0.154 1.00 0.00 N ATOM 431 CA GLN A 804 -11.026 -3.850 0.025 1.00 0.00 C ATOM 432 C GLN A 804 -9.971 -3.579 -1.044 1.00 0.00 C ATOM 433 O GLN A 804 -10.163 -2.731 -1.916 1.00 0.00 O ATOM 434 CB GLN A 804 -10.570 -3.271 1.364 1.00 0.00 C ATOM 435 CG GLN A 804 -10.917 -1.803 1.547 1.00 0.00 C ATOM 436 CD GLN A 804 -12.400 -1.531 1.413 1.00 0.00 C ATOM 437 OE1 GLN A 804 -12.838 -0.871 0.471 1.00 0.00 O ATOM 438 NE2 GLN A 804 -13.183 -2.044 2.346 1.00 0.00 N ATOM 0 H GLN A 804 -10.971 -5.679 1.040 1.00 0.00 H new ATOM 0 HA GLN A 804 -11.956 -3.367 -0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.024 -3.846 2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -9.491 -3.394 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -10.579 -1.474 2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -10.375 -1.211 0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -12.779 -2.585 3.110 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -14.192 -1.899 2.302 1.00 0.00 H new ATOM 447 N LEU A 805 -8.871 -4.322 -0.985 1.00 0.00 N ATOM 448 CA LEU A 805 -7.765 -4.131 -1.916 1.00 0.00 C ATOM 449 C LEU A 805 -8.208 -4.399 -3.358 1.00 0.00 C ATOM 450 O LEU A 805 -7.780 -3.713 -4.292 1.00 0.00 O ATOM 451 CB LEU A 805 -6.583 -5.025 -1.507 1.00 0.00 C ATOM 452 CG LEU A 805 -5.816 -5.694 -2.638 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.512 -4.955 -2.911 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.544 -7.154 -2.303 1.00 0.00 C ATOM 0 H LEU A 805 -8.722 -5.064 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.439 -3.092 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -5.882 -4.422 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -6.958 -5.803 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.426 -5.655 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.977 -5.448 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.730 -3.925 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -3.895 -4.963 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -4.995 -7.619 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -4.953 -7.214 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.490 -7.676 -2.158 1.00 0.00 H new ATOM 466 N HIS A 806 -9.085 -5.383 -3.532 1.00 0.00 N ATOM 467 CA HIS A 806 -9.624 -5.704 -4.850 1.00 0.00 C ATOM 468 C HIS A 806 -10.594 -4.620 -5.317 1.00 0.00 C ATOM 469 O HIS A 806 -10.584 -4.224 -6.483 1.00 0.00 O ATOM 470 CB HIS A 806 -10.332 -7.063 -4.817 1.00 0.00 C ATOM 471 CG HIS A 806 -10.580 -7.654 -6.175 1.00 0.00 C ATOM 472 ND1 HIS A 806 -11.831 -7.732 -6.743 1.00 0.00 N ATOM 473 CD2 HIS A 806 -9.728 -8.209 -7.068 1.00 0.00 C ATOM 474 CE1 HIS A 806 -11.739 -8.310 -7.926 1.00 0.00 C ATOM 475 NE2 HIS A 806 -10.472 -8.608 -8.148 1.00 0.00 N ATOM 0 H HIS A 806 -9.438 -5.972 -2.777 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.795 -5.753 -5.555 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -9.732 -7.760 -4.232 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -11.285 -6.952 -4.300 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -8.660 -8.317 -6.951 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -12.561 -8.506 -8.599 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -10.107 -9.061 -8.986 1.00 0.00 H new ATOM 484 N ALA A 807 -11.416 -4.136 -4.391 1.00 0.00 N ATOM 485 CA ALA A 807 -12.427 -3.127 -4.698 1.00 0.00 C ATOM 486 C ALA A 807 -11.792 -1.812 -5.135 1.00 0.00 C ATOM 487 O ALA A 807 -12.217 -1.209 -6.121 1.00 0.00 O ATOM 488 CB ALA A 807 -13.330 -2.899 -3.494 1.00 0.00 C ATOM 0 H ALA A 807 -11.402 -4.428 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 807 -13.026 -3.501 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.078 -2.145 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.828 -3.832 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.731 -2.557 -2.650 1.00 0.00 H new ATOM 494 N SER A 808 -10.773 -1.369 -4.405 1.00 0.00 N ATOM 495 CA SER A 808 -10.098 -0.115 -4.721 1.00 0.00 C ATOM 496 C SER A 808 -9.317 -0.224 -6.033 1.00 0.00 C ATOM 497 O SER A 808 -8.975 0.787 -6.649 1.00 0.00 O ATOM 498 CB SER A 808 -9.179 0.290 -3.574 1.00 0.00 C ATOM 499 OG SER A 808 -9.864 0.232 -2.336 1.00 0.00 O ATOM 0 H SER A 808 -10.397 -1.858 -3.593 1.00 0.00 H new ATOM 0 HA SER A 808 -10.855 0.659 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.312 -0.370 -3.546 1.00 0.00 H new ATOM 0 HB3 SER A 808 -8.805 1.300 -3.741 1.00 0.00 H new ATOM 0 HG SER A 808 -9.965 -0.703 -2.062 1.00 0.00 H new ATOM 505 N GLY A 809 -9.024 -1.451 -6.450 1.00 0.00 N ATOM 506 CA GLY A 809 -8.511 -1.675 -7.786 1.00 0.00 C ATOM 507 C GLY A 809 -6.999 -1.711 -7.880 1.00 0.00 C ATOM 508 O GLY A 809 -6.458 -1.943 -8.958 1.00 0.00 O ATOM 0 H GLY A 809 -9.133 -2.294 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.908 -2.618 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.885 -0.889 -8.442 1.00 0.00 H new ATOM 512 N TYR A 810 -6.304 -1.499 -6.772 1.00 0.00 N ATOM 513 CA TYR A 810 -4.847 -1.520 -6.802 1.00 0.00 C ATOM 514 C TYR A 810 -4.315 -2.921 -6.511 1.00 0.00 C ATOM 515 O TYR A 810 -3.307 -3.089 -5.823 1.00 0.00 O ATOM 516 CB TYR A 810 -4.238 -0.494 -5.832 1.00 0.00 C ATOM 517 CG TYR A 810 -4.952 -0.348 -4.502 1.00 0.00 C ATOM 518 CD1 TYR A 810 -5.268 -1.454 -3.723 1.00 0.00 C ATOM 519 CD2 TYR A 810 -5.283 0.911 -4.015 1.00 0.00 C ATOM 520 CE1 TYR A 810 -5.897 -1.311 -2.502 1.00 0.00 C ATOM 521 CE2 TYR A 810 -5.914 1.063 -2.797 1.00 0.00 C ATOM 522 CZ TYR A 810 -6.216 -0.051 -2.044 1.00 0.00 C ATOM 523 OH TYR A 810 -6.840 0.095 -0.828 1.00 0.00 O ATOM 0 H TYR A 810 -6.714 -1.314 -5.857 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.542 -1.238 -7.810 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -3.202 -0.773 -5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -4.220 0.479 -6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -5.017 -2.443 -4.078 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -5.042 1.786 -4.600 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -6.137 -2.181 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -6.169 2.048 -2.436 1.00 0.00 H new ATOM 0 HH TYR A 810 -6.205 -0.105 -0.109 1.00 0.00 H new ATOM 533 N TYR A 811 -4.996 -3.925 -7.055 1.00 0.00 N ATOM 534 CA TYR A 811 -4.584 -5.311 -6.890 1.00 0.00 C ATOM 535 C TYR A 811 -3.266 -5.563 -7.612 1.00 0.00 C ATOM 536 O TYR A 811 -2.495 -6.444 -7.230 1.00 0.00 O ATOM 537 CB TYR A 811 -5.663 -6.254 -7.426 1.00 0.00 C ATOM 538 CG TYR A 811 -5.563 -7.665 -6.886 1.00 0.00 C ATOM 539 CD1 TYR A 811 -6.097 -7.989 -5.647 1.00 0.00 C ATOM 540 CD2 TYR A 811 -4.934 -8.671 -7.612 1.00 0.00 C ATOM 541 CE1 TYR A 811 -6.009 -9.273 -5.145 1.00 0.00 C ATOM 542 CE2 TYR A 811 -4.842 -9.958 -7.115 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.381 -10.254 -5.881 1.00 0.00 C ATOM 544 OH TYR A 811 -5.292 -11.534 -5.378 1.00 0.00 O ATOM 0 H TYR A 811 -5.839 -3.801 -7.616 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.444 -5.505 -5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.644 -5.848 -7.177 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.598 -6.285 -8.514 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -6.590 -7.224 -5.065 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -4.511 -8.443 -8.579 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -6.431 -9.507 -4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -4.350 -10.728 -7.691 1.00 0.00 H new ATOM 0 HH TYR A 811 -4.821 -12.106 -6.020 1.00 0.00 H new ATOM 554 N ALA A 812 -3.012 -4.776 -8.654 1.00 0.00 N ATOM 555 CA ALA A 812 -1.787 -4.899 -9.432 1.00 0.00 C ATOM 556 C ALA A 812 -0.557 -4.730 -8.552 1.00 0.00 C ATOM 557 O ALA A 812 0.349 -5.557 -8.579 1.00 0.00 O ATOM 558 CB ALA A 812 -1.767 -3.881 -10.561 1.00 0.00 C ATOM 0 H ALA A 812 -3.643 -4.043 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 812 -1.764 -5.901 -9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -0.844 -3.988 -11.131 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -2.621 -4.049 -11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -1.822 -2.875 -10.145 1.00 0.00 H new ATOM 564 N LEU A 813 -0.550 -3.671 -7.747 1.00 0.00 N ATOM 565 CA LEU A 813 0.586 -3.364 -6.881 1.00 0.00 C ATOM 566 C LEU A 813 0.863 -4.508 -5.914 1.00 0.00 C ATOM 567 O LEU A 813 2.014 -4.768 -5.554 1.00 0.00 O ATOM 568 CB LEU A 813 0.327 -2.082 -6.083 1.00 0.00 C ATOM 569 CG LEU A 813 0.202 -0.799 -6.908 1.00 0.00 C ATOM 570 CD1 LEU A 813 0.299 0.421 -6.004 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.272 -0.749 -7.988 1.00 0.00 C ATOM 0 H LEU A 813 -1.322 -3.008 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 813 1.456 -3.222 -7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -0.590 -2.213 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 813 1.137 -1.953 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 813 -0.773 -0.795 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 813 0.209 1.327 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -0.503 0.392 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 813 1.262 0.419 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 813 1.166 0.171 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 813 2.258 -0.775 -7.525 1.00 0.00 H new ATOM 0 HD23 LEU A 813 1.160 -1.607 -8.651 1.00 0.00 H new ATOM 583 N PHE A 814 -0.201 -5.202 -5.521 1.00 0.00 N ATOM 584 CA PHE A 814 -0.111 -6.275 -4.541 1.00 0.00 C ATOM 585 C PHE A 814 0.749 -7.434 -5.044 1.00 0.00 C ATOM 586 O PHE A 814 1.391 -8.122 -4.255 1.00 0.00 O ATOM 587 CB PHE A 814 -1.506 -6.783 -4.179 1.00 0.00 C ATOM 588 CG PHE A 814 -1.515 -7.683 -2.980 1.00 0.00 C ATOM 589 CD1 PHE A 814 -1.090 -7.216 -1.746 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.941 -8.996 -3.090 1.00 0.00 C ATOM 591 CE1 PHE A 814 -1.091 -8.044 -0.643 1.00 0.00 C ATOM 592 CE2 PHE A 814 -1.944 -9.827 -1.990 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.518 -9.351 -0.766 1.00 0.00 C ATOM 0 H PHE A 814 -1.144 -5.036 -5.872 1.00 0.00 H new ATOM 0 HA PHE A 814 0.368 -5.864 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.158 -5.930 -3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.922 -7.320 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.755 -6.194 -1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.274 -9.372 -4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 814 -0.759 -7.671 0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.279 -10.849 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.519 -10.002 0.096 1.00 0.00 H new ATOM 603 N VAL A 815 0.756 -7.655 -6.351 1.00 0.00 N ATOM 604 CA VAL A 815 1.549 -8.734 -6.928 1.00 0.00 C ATOM 605 C VAL A 815 2.753 -8.195 -7.696 1.00 0.00 C ATOM 606 O VAL A 815 3.766 -8.878 -7.849 1.00 0.00 O ATOM 607 CB VAL A 815 0.707 -9.632 -7.862 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.008 -10.708 -7.061 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.290 -8.808 -8.666 1.00 0.00 C ATOM 0 H VAL A 815 0.226 -7.107 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 815 1.902 -9.336 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 815 1.384 -10.116 -8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -0.597 -11.332 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 815 0.727 -11.325 -6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -0.668 -10.240 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -0.868 -9.467 -9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.963 -8.286 -7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.247 -8.080 -9.275 1.00 0.00 H new ATOM 619 N ASP A 816 2.638 -6.962 -8.165 1.00 0.00 N ATOM 620 CA ASP A 816 3.704 -6.329 -8.935 1.00 0.00 C ATOM 621 C ASP A 816 4.843 -5.874 -8.032 1.00 0.00 C ATOM 622 O ASP A 816 6.006 -6.202 -8.266 1.00 0.00 O ATOM 623 CB ASP A 816 3.149 -5.127 -9.710 1.00 0.00 C ATOM 624 CG ASP A 816 4.233 -4.228 -10.282 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.727 -3.341 -9.552 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.581 -4.399 -11.468 1.00 0.00 O ATOM 0 H ASP A 816 1.815 -6.376 -8.026 1.00 0.00 H new ATOM 0 HA ASP A 816 4.096 -7.067 -9.635 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.519 -5.487 -10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 816 2.511 -4.540 -9.049 1.00 0.00 H new ATOM 631 N THR A 817 4.502 -5.124 -6.998 1.00 0.00 N ATOM 632 CA THR A 817 5.505 -4.491 -6.162 1.00 0.00 C ATOM 633 C THR A 817 5.724 -5.237 -4.846 1.00 0.00 C ATOM 634 O THR A 817 6.861 -5.505 -4.472 1.00 0.00 O ATOM 635 CB THR A 817 5.114 -3.035 -5.865 1.00 0.00 C ATOM 636 OG1 THR A 817 4.182 -2.572 -6.857 1.00 0.00 O ATOM 637 CG2 THR A 817 6.338 -2.135 -5.854 1.00 0.00 C ATOM 0 H THR A 817 3.539 -4.939 -6.718 1.00 0.00 H new ATOM 0 HA THR A 817 6.441 -4.518 -6.720 1.00 0.00 H new ATOM 0 HB THR A 817 4.651 -2.998 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 817 4.534 -2.764 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 817 6.034 -1.110 -5.642 1.00 0.00 H new ATOM 0 HG22 THR A 817 7.032 -2.474 -5.085 1.00 0.00 H new ATOM 0 HG23 THR A 817 6.827 -2.174 -6.827 1.00 0.00 H new ATOM 645 N VAL A 818 4.634 -5.599 -4.169 1.00 0.00 N ATOM 646 CA VAL A 818 4.717 -6.168 -2.818 1.00 0.00 C ATOM 647 C VAL A 818 5.656 -7.385 -2.736 1.00 0.00 C ATOM 648 O VAL A 818 6.606 -7.371 -1.952 1.00 0.00 O ATOM 649 CB VAL A 818 3.322 -6.543 -2.266 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.438 -7.203 -0.898 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.437 -5.311 -2.183 1.00 0.00 C ATOM 0 H VAL A 818 3.684 -5.510 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 818 5.142 -5.380 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 818 2.866 -7.257 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.444 -7.457 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.037 -8.110 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 818 3.917 -6.515 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.459 -5.591 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 818 2.896 -4.578 -1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.321 -4.879 -3.177 1.00 0.00 H new ATOM 661 N PRO A 819 5.430 -8.453 -3.537 1.00 0.00 N ATOM 662 CA PRO A 819 6.278 -9.654 -3.500 1.00 0.00 C ATOM 663 C PRO A 819 7.723 -9.344 -3.875 1.00 0.00 C ATOM 664 O PRO A 819 8.657 -9.947 -3.342 1.00 0.00 O ATOM 665 CB PRO A 819 5.643 -10.591 -4.536 1.00 0.00 C ATOM 666 CG PRO A 819 4.258 -10.077 -4.719 1.00 0.00 C ATOM 667 CD PRO A 819 4.351 -8.592 -4.528 1.00 0.00 C ATOM 0 HA PRO A 819 6.323 -10.086 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.197 -10.576 -5.474 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.638 -11.623 -4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 819 3.877 -10.322 -5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.575 -10.523 -3.996 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.590 -8.079 -5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.413 -8.172 -4.165 1.00 0.00 H new ATOM 675 N ASP A 820 7.899 -8.388 -4.781 1.00 0.00 N ATOM 676 CA ASP A 820 9.228 -7.975 -5.212 1.00 0.00 C ATOM 677 C ASP A 820 9.938 -7.231 -4.088 1.00 0.00 C ATOM 678 O ASP A 820 11.131 -7.413 -3.872 1.00 0.00 O ATOM 679 CB ASP A 820 9.135 -7.089 -6.457 1.00 0.00 C ATOM 680 CG ASP A 820 10.489 -6.588 -6.923 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.416 -7.414 -7.094 1.00 0.00 O ATOM 682 OD2 ASP A 820 10.631 -5.370 -7.142 1.00 0.00 O ATOM 0 H ASP A 820 7.135 -7.884 -5.232 1.00 0.00 H new ATOM 0 HA ASP A 820 9.804 -8.866 -5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.663 -7.651 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 820 8.491 -6.236 -6.243 1.00 0.00 H new ATOM 687 N ASP A 821 9.186 -6.411 -3.361 1.00 0.00 N ATOM 688 CA ASP A 821 9.728 -5.666 -2.225 1.00 0.00 C ATOM 689 C ASP A 821 10.098 -6.613 -1.089 1.00 0.00 C ATOM 690 O ASP A 821 11.102 -6.417 -0.406 1.00 0.00 O ATOM 691 CB ASP A 821 8.722 -4.622 -1.732 1.00 0.00 C ATOM 692 CG ASP A 821 9.060 -3.222 -2.209 1.00 0.00 C ATOM 693 OD1 ASP A 821 9.877 -2.541 -1.556 1.00 0.00 O ATOM 694 OD2 ASP A 821 8.510 -2.795 -3.245 1.00 0.00 O ATOM 0 H ASP A 821 8.195 -6.244 -3.538 1.00 0.00 H new ATOM 0 HA ASP A 821 10.629 -5.151 -2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 821 7.724 -4.890 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 821 8.694 -4.635 -0.642 1.00 0.00 H new ATOM 699 N VAL A 822 9.285 -7.646 -0.894 1.00 0.00 N ATOM 700 CA VAL A 822 9.595 -8.681 0.086 1.00 0.00 C ATOM 701 C VAL A 822 10.886 -9.396 -0.307 1.00 0.00 C ATOM 702 O VAL A 822 11.758 -9.642 0.528 1.00 0.00 O ATOM 703 CB VAL A 822 8.445 -9.706 0.213 1.00 0.00 C ATOM 704 CG1 VAL A 822 8.825 -10.838 1.154 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.174 -9.028 0.696 1.00 0.00 C ATOM 0 H VAL A 822 8.410 -7.789 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 822 9.722 -8.198 1.055 1.00 0.00 H new ATOM 0 HB VAL A 822 8.263 -10.128 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 822 7.998 -11.545 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.708 -11.349 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.042 -10.432 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.377 -9.766 0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.351 -8.575 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 822 6.881 -8.256 -0.015 1.00 0.00 H new ATOM 715 N LYS A 823 11.011 -9.702 -1.593 1.00 0.00 N ATOM 716 CA LYS A 823 12.226 -10.301 -2.124 1.00 0.00 C ATOM 717 C LYS A 823 13.392 -9.325 -1.988 1.00 0.00 C ATOM 718 O LYS A 823 14.515 -9.723 -1.687 1.00 0.00 O ATOM 719 CB LYS A 823 12.024 -10.697 -3.590 1.00 0.00 C ATOM 720 CG LYS A 823 13.301 -11.136 -4.290 1.00 0.00 C ATOM 721 CD LYS A 823 13.054 -11.496 -5.750 1.00 0.00 C ATOM 722 CE LYS A 823 12.332 -10.380 -6.489 1.00 0.00 C ATOM 723 NZ LYS A 823 13.272 -9.365 -7.036 1.00 0.00 N ATOM 0 H LYS A 823 10.282 -9.544 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 823 12.457 -11.200 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.296 -11.507 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 823 11.598 -9.851 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 823 14.039 -10.336 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 823 13.722 -11.996 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 823 14.006 -11.701 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 823 12.463 -12.410 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 823 11.747 -10.806 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 823 11.630 -9.894 -5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 12.778 -8.456 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 14.074 -9.248 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 13.622 -9.680 -7.963 1.00 0.00 H new ATOM 737 N ARG A 824 13.111 -8.043 -2.205 1.00 0.00 N ATOM 738 CA ARG A 824 14.105 -6.990 -2.035 1.00 0.00 C ATOM 739 C ARG A 824 14.601 -6.960 -0.590 1.00 0.00 C ATOM 740 O ARG A 824 15.797 -6.828 -0.343 1.00 0.00 O ATOM 741 CB ARG A 824 13.516 -5.630 -2.436 1.00 0.00 C ATOM 742 CG ARG A 824 14.268 -4.437 -1.874 1.00 0.00 C ATOM 743 CD ARG A 824 14.819 -3.555 -2.977 1.00 0.00 C ATOM 744 NE ARG A 824 16.262 -3.718 -3.130 1.00 0.00 N ATOM 745 CZ ARG A 824 16.967 -3.216 -4.140 1.00 0.00 C ATOM 746 NH1 ARG A 824 16.373 -2.479 -5.075 1.00 0.00 N ATOM 747 NH2 ARG A 824 18.270 -3.437 -4.200 1.00 0.00 N ATOM 0 H ARG A 824 12.194 -7.708 -2.501 1.00 0.00 H new ATOM 0 HA ARG A 824 14.954 -7.200 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.504 -5.558 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 824 12.480 -5.583 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 824 13.602 -3.853 -1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 824 15.086 -4.786 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 824 14.324 -3.797 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 824 14.592 -2.512 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 824 16.761 -4.250 -2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 824 15.371 -2.296 -5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 824 16.920 -2.097 -5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 824 18.728 -3.989 -3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 824 18.817 -3.055 -4.972 1.00 0.00 H new ATOM 761 N LEU A 825 13.676 -7.102 0.356 1.00 0.00 N ATOM 762 CA LEU A 825 14.031 -7.210 1.768 1.00 0.00 C ATOM 763 C LEU A 825 15.009 -8.361 1.969 1.00 0.00 C ATOM 764 O LEU A 825 16.024 -8.217 2.647 1.00 0.00 O ATOM 765 CB LEU A 825 12.780 -7.439 2.624 1.00 0.00 C ATOM 766 CG LEU A 825 12.158 -6.180 3.226 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.692 -6.416 3.546 1.00 0.00 C ATOM 768 CD2 LEU A 825 12.913 -5.753 4.475 1.00 0.00 C ATOM 0 H LEU A 825 12.674 -7.145 0.170 1.00 0.00 H new ATOM 0 HA LEU A 825 14.500 -6.277 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.028 -7.938 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.035 -8.121 3.435 1.00 0.00 H new ATOM 0 HG LEU A 825 12.229 -5.377 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.263 -5.510 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.157 -6.674 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.603 -7.233 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.454 -4.855 4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.875 -6.553 5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 825 13.952 -5.545 4.219 1.00 0.00 H new ATOM 780 N TYR A 826 14.699 -9.496 1.348 1.00 0.00 N ATOM 781 CA TYR A 826 15.568 -10.667 1.388 1.00 0.00 C ATOM 782 C TYR A 826 16.931 -10.352 0.776 1.00 0.00 C ATOM 783 O TYR A 826 17.965 -10.816 1.258 1.00 0.00 O ATOM 784 CB TYR A 826 14.927 -11.828 0.625 1.00 0.00 C ATOM 785 CG TYR A 826 13.818 -12.530 1.376 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.944 -12.830 2.728 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.650 -12.903 0.726 1.00 0.00 C ATOM 788 CE1 TYR A 826 12.932 -13.481 3.409 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.634 -13.553 1.399 1.00 0.00 C ATOM 790 CZ TYR A 826 11.779 -13.842 2.740 1.00 0.00 C ATOM 791 OH TYR A 826 10.766 -14.491 3.414 1.00 0.00 O ATOM 0 H TYR A 826 13.845 -9.629 0.807 1.00 0.00 H new ATOM 0 HA TYR A 826 15.705 -10.949 2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.530 -11.452 -0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.700 -12.556 0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.845 -12.551 3.254 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.533 -12.681 -0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 826 13.043 -13.706 4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.731 -13.834 0.878 1.00 0.00 H new ATOM 0 HH TYR A 826 10.026 -14.672 2.797 1.00 0.00 H new ATOM 801 N THR A 827 16.924 -9.534 -0.272 1.00 0.00 N ATOM 802 CA THR A 827 18.136 -9.225 -1.013 1.00 0.00 C ATOM 803 C THR A 827 19.070 -8.357 -0.181 1.00 0.00 C ATOM 804 O THR A 827 20.281 -8.574 -0.148 1.00 0.00 O ATOM 805 CB THR A 827 17.813 -8.502 -2.339 1.00 0.00 C ATOM 806 OG1 THR A 827 16.725 -9.154 -3.011 1.00 0.00 O ATOM 807 CG2 THR A 827 19.027 -8.473 -3.251 1.00 0.00 C ATOM 0 H THR A 827 16.086 -9.072 -0.626 1.00 0.00 H new ATOM 0 HA THR A 827 18.628 -10.171 -1.239 1.00 0.00 H new ATOM 0 HB THR A 827 17.529 -7.477 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 827 15.903 -9.039 -2.490 1.00 0.00 H new ATOM 0 HG21 THR A 827 18.774 -7.959 -4.178 1.00 0.00 H new ATOM 0 HG22 THR A 827 19.842 -7.946 -2.755 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.338 -9.493 -3.476 1.00 0.00 H new ATOM 815 N GLU A 828 18.493 -7.383 0.505 1.00 0.00 N ATOM 816 CA GLU A 828 19.268 -6.465 1.324 1.00 0.00 C ATOM 817 C GLU A 828 19.650 -7.111 2.649 1.00 0.00 C ATOM 818 O GLU A 828 20.670 -6.771 3.249 1.00 0.00 O ATOM 819 CB GLU A 828 18.476 -5.179 1.547 1.00 0.00 C ATOM 820 CG GLU A 828 17.933 -4.591 0.254 1.00 0.00 C ATOM 821 CD GLU A 828 19.010 -4.416 -0.798 1.00 0.00 C ATOM 822 OE1 GLU A 828 20.083 -3.869 -0.474 1.00 0.00 O ATOM 823 OE2 GLU A 828 18.795 -4.838 -1.955 1.00 0.00 O ATOM 0 H GLU A 828 17.488 -7.208 0.511 1.00 0.00 H new ATOM 0 HA GLU A 828 20.192 -6.219 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.647 -5.381 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.116 -4.444 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.150 -5.240 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 828 17.472 -3.625 0.462 1.00 0.00 H new ATOM 830 N ALA A 829 18.828 -8.053 3.099 1.00 0.00 N ATOM 831 CA ALA A 829 19.145 -8.841 4.282 1.00 0.00 C ATOM 832 C ALA A 829 20.305 -9.781 3.988 1.00 0.00 C ATOM 833 O ALA A 829 21.082 -10.128 4.878 1.00 0.00 O ATOM 834 CB ALA A 829 17.929 -9.630 4.747 1.00 0.00 C ATOM 0 H ALA A 829 17.937 -8.289 2.661 1.00 0.00 H new ATOM 0 HA ALA A 829 19.436 -8.161 5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 829 18.189 -10.211 5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 829 17.120 -8.941 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.606 -10.303 3.953 1.00 0.00 H new ATOM 840 N ALA A 830 20.416 -10.193 2.729 1.00 0.00 N ATOM 841 CA ALA A 830 21.517 -11.041 2.292 1.00 0.00 C ATOM 842 C ALA A 830 22.838 -10.275 2.325 1.00 0.00 C ATOM 843 O ALA A 830 23.882 -10.837 2.661 1.00 0.00 O ATOM 844 CB ALA A 830 21.248 -11.579 0.894 1.00 0.00 C ATOM 0 H ALA A 830 19.754 -9.952 1.992 1.00 0.00 H new ATOM 0 HA ALA A 830 21.595 -11.883 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.079 -12.211 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.329 -12.165 0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.143 -10.747 0.198 1.00 0.00 H new ATOM 850 N THR A 831 22.787 -8.994 1.980 1.00 0.00 N ATOM 851 CA THR A 831 23.972 -8.148 2.003 1.00 0.00 C ATOM 852 C THR A 831 24.192 -7.543 3.391 1.00 0.00 C ATOM 853 O THR A 831 25.244 -6.958 3.664 1.00 0.00 O ATOM 854 CB THR A 831 23.864 -7.013 0.966 1.00 0.00 C ATOM 855 OG1 THR A 831 22.487 -6.731 0.685 1.00 0.00 O ATOM 856 CG2 THR A 831 24.577 -7.389 -0.324 1.00 0.00 C ATOM 0 H THR A 831 21.936 -8.518 1.681 1.00 0.00 H new ATOM 0 HA THR A 831 24.823 -8.781 1.752 1.00 0.00 H new ATOM 0 HB THR A 831 24.340 -6.126 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.249 -5.857 1.060 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.487 -6.573 -1.041 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.631 -7.575 -0.116 1.00 0.00 H new ATOM 0 HG23 THR A 831 24.125 -8.289 -0.741 1.00 0.00 H new ATOM 864 N SER A 832 23.182 -7.687 4.256 1.00 0.00 N ATOM 865 CA SER A 832 23.218 -7.163 5.619 1.00 0.00 C ATOM 866 C SER A 832 23.261 -5.642 5.594 1.00 0.00 C ATOM 867 O SER A 832 23.801 -4.999 6.494 1.00 0.00 O ATOM 868 CB SER A 832 24.405 -7.738 6.404 1.00 0.00 C ATOM 869 OG SER A 832 24.632 -9.097 6.058 1.00 0.00 O ATOM 0 H SER A 832 22.315 -8.173 4.026 1.00 0.00 H new ATOM 0 HA SER A 832 22.308 -7.475 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.301 -7.152 6.198 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.211 -7.659 7.474 1.00 0.00 H new ATOM 0 HG SER A 832 25.394 -9.442 6.569 1.00 0.00 H new ATOM 875 N ASP A 833 22.673 -5.075 4.550 1.00 0.00 N ATOM 876 CA ASP A 833 22.598 -3.634 4.407 1.00 0.00 C ATOM 877 C ASP A 833 21.394 -3.118 5.168 1.00 0.00 C ATOM 878 O ASP A 833 20.343 -2.859 4.592 1.00 0.00 O ATOM 879 CB ASP A 833 22.506 -3.234 2.935 1.00 0.00 C ATOM 880 CG ASP A 833 23.041 -1.840 2.687 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.464 -0.868 3.224 1.00 0.00 O ATOM 882 OD2 ASP A 833 24.050 -1.709 1.962 1.00 0.00 O ATOM 0 H ASP A 833 22.240 -5.597 3.788 1.00 0.00 H new ATOM 0 HA ASP A 833 23.506 -3.192 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 833 23.065 -3.949 2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.467 -3.286 2.610 1.00 0.00 H new ATOM 887 N PHE A 834 21.549 -3.018 6.476 1.00 0.00 N ATOM 888 CA PHE A 834 20.476 -2.566 7.357 1.00 0.00 C ATOM 889 C PHE A 834 19.962 -1.176 6.986 1.00 0.00 C ATOM 890 O PHE A 834 18.796 -0.859 7.230 1.00 0.00 O ATOM 891 CB PHE A 834 20.941 -2.600 8.814 1.00 0.00 C ATOM 892 CG PHE A 834 21.506 -3.934 9.213 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.682 -5.044 9.322 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.862 -4.085 9.459 1.00 0.00 C ATOM 895 CE1 PHE A 834 21.200 -6.277 9.673 1.00 0.00 C ATOM 896 CE2 PHE A 834 23.384 -5.317 9.807 1.00 0.00 C ATOM 897 CZ PHE A 834 22.553 -6.413 9.914 1.00 0.00 C ATOM 0 H PHE A 834 22.417 -3.246 6.960 1.00 0.00 H new ATOM 0 HA PHE A 834 19.640 -3.254 7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.697 -1.830 8.968 1.00 0.00 H new ATOM 0 HB3 PHE A 834 20.101 -2.357 9.465 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.624 -4.944 9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.518 -3.231 9.378 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.547 -7.133 9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 834 24.442 -5.421 9.995 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.960 -7.376 10.186 1.00 0.00 H new ATOM 907 N ALA A 835 20.813 -0.353 6.385 1.00 0.00 N ATOM 908 CA ALA A 835 20.376 0.947 5.893 1.00 0.00 C ATOM 909 C ALA A 835 19.353 0.762 4.776 1.00 0.00 C ATOM 910 O ALA A 835 18.348 1.477 4.703 1.00 0.00 O ATOM 911 CB ALA A 835 21.562 1.761 5.403 1.00 0.00 C ATOM 0 H ALA A 835 21.799 -0.560 6.228 1.00 0.00 H new ATOM 0 HA ALA A 835 19.908 1.493 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.214 2.728 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.263 1.912 6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 835 22.060 1.227 4.594 1.00 0.00 H new ATOM 917 N ALA A 836 19.594 -0.232 3.932 1.00 0.00 N ATOM 918 CA ALA A 836 18.691 -0.542 2.839 1.00 0.00 C ATOM 919 C ALA A 836 17.502 -1.329 3.363 1.00 0.00 C ATOM 920 O ALA A 836 16.404 -1.251 2.821 1.00 0.00 O ATOM 921 CB ALA A 836 19.412 -1.317 1.750 1.00 0.00 C ATOM 0 H ALA A 836 20.412 -0.839 3.986 1.00 0.00 H new ATOM 0 HA ALA A 836 18.331 0.390 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.717 -1.539 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.239 -0.720 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.799 -2.249 2.162 1.00 0.00 H new ATOM 927 N LEU A 837 17.735 -2.084 4.426 1.00 0.00 N ATOM 928 CA LEU A 837 16.671 -2.787 5.115 1.00 0.00 C ATOM 929 C LEU A 837 15.646 -1.794 5.642 1.00 0.00 C ATOM 930 O LEU A 837 14.445 -1.977 5.463 1.00 0.00 O ATOM 931 CB LEU A 837 17.242 -3.609 6.269 1.00 0.00 C ATOM 932 CG LEU A 837 17.316 -5.124 6.046 1.00 0.00 C ATOM 933 CD1 LEU A 837 16.584 -5.540 4.777 1.00 0.00 C ATOM 934 CD2 LEU A 837 18.765 -5.586 5.999 1.00 0.00 C ATOM 0 H LEU A 837 18.661 -2.224 4.831 1.00 0.00 H new ATOM 0 HA LEU A 837 16.183 -3.461 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 837 18.246 -3.245 6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.637 -3.422 7.156 1.00 0.00 H new ATOM 0 HG LEU A 837 16.820 -5.606 6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 837 16.658 -6.620 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 837 15.535 -5.254 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 837 17.035 -5.044 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 837 18.798 -6.664 5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 837 19.281 -5.083 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 837 19.255 -5.343 6.942 1.00 0.00 H new ATOM 946 N ALA A 838 16.132 -0.730 6.278 1.00 0.00 N ATOM 947 CA ALA A 838 15.263 0.333 6.764 1.00 0.00 C ATOM 948 C ALA A 838 14.556 1.016 5.601 1.00 0.00 C ATOM 949 O ALA A 838 13.373 1.344 5.685 1.00 0.00 O ATOM 950 CB ALA A 838 16.063 1.351 7.566 1.00 0.00 C ATOM 0 H ALA A 838 17.123 -0.584 6.468 1.00 0.00 H new ATOM 0 HA ALA A 838 14.511 -0.110 7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.398 2.138 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.529 0.857 8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.835 1.787 6.933 1.00 0.00 H new ATOM 956 N GLN A 839 15.292 1.225 4.512 1.00 0.00 N ATOM 957 CA GLN A 839 14.725 1.809 3.302 1.00 0.00 C ATOM 958 C GLN A 839 13.598 0.934 2.746 1.00 0.00 C ATOM 959 O GLN A 839 12.513 1.427 2.437 1.00 0.00 O ATOM 960 CB GLN A 839 15.814 1.998 2.244 1.00 0.00 C ATOM 961 CG GLN A 839 16.354 3.416 2.175 1.00 0.00 C ATOM 962 CD GLN A 839 15.304 4.414 1.733 1.00 0.00 C ATOM 963 OE1 GLN A 839 14.938 5.325 2.479 1.00 0.00 O ATOM 964 NE2 GLN A 839 14.808 4.251 0.520 1.00 0.00 N ATOM 0 H GLN A 839 16.284 0.998 4.444 1.00 0.00 H new ATOM 0 HA GLN A 839 14.307 2.782 3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.637 1.315 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.413 1.723 1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 839 16.736 3.704 3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.196 3.448 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 839 15.137 3.484 -0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 839 14.096 4.892 0.170 1.00 0.00 H new ATOM 973 N THR A 840 13.854 -0.365 2.646 1.00 0.00 N ATOM 974 CA THR A 840 12.870 -1.305 2.120 1.00 0.00 C ATOM 975 C THR A 840 11.690 -1.467 3.079 1.00 0.00 C ATOM 976 O THR A 840 10.544 -1.573 2.647 1.00 0.00 O ATOM 977 CB THR A 840 13.499 -2.683 1.843 1.00 0.00 C ATOM 978 OG1 THR A 840 14.767 -2.527 1.189 1.00 0.00 O ATOM 979 CG2 THR A 840 12.581 -3.524 0.970 1.00 0.00 C ATOM 0 H THR A 840 14.737 -0.793 2.923 1.00 0.00 H new ATOM 0 HA THR A 840 12.508 -0.890 1.180 1.00 0.00 H new ATOM 0 HB THR A 840 13.644 -3.189 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.462 -2.355 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 840 13.043 -4.494 0.785 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.627 -3.667 1.477 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.414 -3.015 0.021 1.00 0.00 H new ATOM 987 N ALA A 841 11.970 -1.476 4.377 1.00 0.00 N ATOM 988 CA ALA A 841 10.912 -1.531 5.380 1.00 0.00 C ATOM 989 C ALA A 841 10.016 -0.306 5.255 1.00 0.00 C ATOM 990 O ALA A 841 8.801 -0.387 5.422 1.00 0.00 O ATOM 991 CB ALA A 841 11.495 -1.619 6.782 1.00 0.00 C ATOM 0 H ALA A 841 12.915 -1.446 4.759 1.00 0.00 H new ATOM 0 HA ALA A 841 10.317 -2.428 5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.685 -1.659 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 841 12.104 -2.519 6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 841 12.114 -0.743 6.974 1.00 0.00 H new ATOM 997 N HIS A 842 10.636 0.828 4.951 1.00 0.00 N ATOM 998 CA HIS A 842 9.910 2.069 4.714 1.00 0.00 C ATOM 999 C HIS A 842 9.148 1.994 3.394 1.00 0.00 C ATOM 1000 O HIS A 842 8.032 2.502 3.284 1.00 0.00 O ATOM 1001 CB HIS A 842 10.886 3.253 4.700 1.00 0.00 C ATOM 1002 CG HIS A 842 10.244 4.592 4.923 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.971 5.744 5.132 1.00 0.00 N ATOM 1004 CD2 HIS A 842 8.941 4.963 4.962 1.00 0.00 C ATOM 1005 CE1 HIS A 842 10.145 6.762 5.286 1.00 0.00 C ATOM 1006 NE2 HIS A 842 8.910 6.312 5.188 1.00 0.00 N ATOM 0 H HIS A 842 11.649 0.913 4.862 1.00 0.00 H new ATOM 0 HA HIS A 842 9.191 2.215 5.520 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.642 3.094 5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 842 11.405 3.268 3.742 1.00 0.00 H new ATOM 0 HD2 HIS A 842 8.086 4.315 4.838 1.00 0.00 H new ATOM 0 HE1 HIS A 842 10.432 7.788 5.462 1.00 0.00 H new ATOM 0 HE2 HIS A 842 8.066 6.879 5.268 1.00 0.00 H new ATOM 1015 N ARG A 843 9.755 1.362 2.397 1.00 0.00 N ATOM 1016 CA ARG A 843 9.110 1.172 1.105 1.00 0.00 C ATOM 1017 C ARG A 843 7.853 0.326 1.262 1.00 0.00 C ATOM 1018 O ARG A 843 6.783 0.693 0.776 1.00 0.00 O ATOM 1019 CB ARG A 843 10.076 0.512 0.119 1.00 0.00 C ATOM 1020 CG ARG A 843 10.382 1.369 -1.096 1.00 0.00 C ATOM 1021 CD ARG A 843 11.228 0.616 -2.110 1.00 0.00 C ATOM 1022 NE ARG A 843 10.427 -0.290 -2.931 1.00 0.00 N ATOM 1023 CZ ARG A 843 10.154 -0.095 -4.221 1.00 0.00 C ATOM 1024 NH1 ARG A 843 10.651 0.953 -4.868 1.00 0.00 N ATOM 1025 NH2 ARG A 843 9.386 -0.961 -4.867 1.00 0.00 N ATOM 0 H ARG A 843 10.695 0.972 2.459 1.00 0.00 H new ATOM 0 HA ARG A 843 8.826 2.148 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 843 11.008 0.282 0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.653 -0.436 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 843 9.450 1.687 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 843 10.906 2.272 -0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 843 11.741 1.330 -2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 843 11.997 0.047 -1.588 1.00 0.00 H new ATOM 0 HE ARG A 843 10.052 -1.128 -2.487 1.00 0.00 H new ATOM 0 HH11 ARG A 843 11.248 1.619 -4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 843 10.435 1.092 -5.855 1.00 0.00 H new ATOM 0 HH21 ARG A 843 9.007 -1.771 -4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 843 9.174 -0.817 -5.854 1.00 0.00 H new ATOM 1039 N LEU A 844 7.985 -0.788 1.977 1.00 0.00 N ATOM 1040 CA LEU A 844 6.858 -1.683 2.216 1.00 0.00 C ATOM 1041 C LEU A 844 5.815 -0.997 3.086 1.00 0.00 C ATOM 1042 O LEU A 844 4.615 -1.112 2.841 1.00 0.00 O ATOM 1043 CB LEU A 844 7.330 -2.976 2.883 1.00 0.00 C ATOM 1044 CG LEU A 844 7.341 -4.216 1.984 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.308 -5.478 2.821 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.169 -4.203 1.019 1.00 0.00 C ATOM 0 H LEU A 844 8.862 -1.092 2.401 1.00 0.00 H new ATOM 0 HA LEU A 844 6.408 -1.932 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 844 8.338 -2.819 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.689 -3.177 3.741 1.00 0.00 H new ATOM 0 HG LEU A 844 8.263 -4.199 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.316 -6.349 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.181 -5.505 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.402 -5.489 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.203 -5.095 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.235 -4.189 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 844 6.227 -3.316 0.389 1.00 0.00 H new ATOM 1058 N LYS A 845 6.289 -0.273 4.094 1.00 0.00 N ATOM 1059 CA LYS A 845 5.421 0.512 4.956 1.00 0.00 C ATOM 1060 C LYS A 845 4.607 1.494 4.119 1.00 0.00 C ATOM 1061 O LYS A 845 3.393 1.610 4.283 1.00 0.00 O ATOM 1062 CB LYS A 845 6.260 1.260 6.002 1.00 0.00 C ATOM 1063 CG LYS A 845 5.469 2.238 6.855 1.00 0.00 C ATOM 1064 CD LYS A 845 6.383 3.078 7.739 1.00 0.00 C ATOM 1065 CE LYS A 845 7.076 2.235 8.800 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.486 3.050 9.975 1.00 0.00 N ATOM 0 H LYS A 845 7.279 -0.215 4.333 1.00 0.00 H new ATOM 0 HA LYS A 845 4.733 -0.155 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 845 6.739 0.531 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 845 7.056 1.802 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 845 4.883 2.893 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.763 1.690 7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 845 7.133 3.572 7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 845 5.801 3.863 8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.406 1.439 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.954 1.755 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 8.463 2.811 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 7.430 4.060 9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 6.852 2.849 10.775 1.00 0.00 H new ATOM 1080 N GLY A 846 5.289 2.169 3.200 1.00 0.00 N ATOM 1081 CA GLY A 846 4.641 3.144 2.347 1.00 0.00 C ATOM 1082 C GLY A 846 3.635 2.523 1.394 1.00 0.00 C ATOM 1083 O GLY A 846 2.510 3.003 1.286 1.00 0.00 O ATOM 0 H GLY A 846 6.288 2.055 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 846 4.136 3.884 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 846 5.399 3.675 1.771 1.00 0.00 H new ATOM 1087 N VAL A 847 4.026 1.453 0.703 1.00 0.00 N ATOM 1088 CA VAL A 847 3.139 0.825 -0.276 1.00 0.00 C ATOM 1089 C VAL A 847 1.945 0.157 0.404 1.00 0.00 C ATOM 1090 O VAL A 847 0.832 0.205 -0.112 1.00 0.00 O ATOM 1091 CB VAL A 847 3.875 -0.203 -1.173 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.888 0.498 -2.068 1.00 0.00 C ATOM 1093 CG2 VAL A 847 4.546 -1.286 -0.347 1.00 0.00 C ATOM 0 H VAL A 847 4.938 1.007 0.800 1.00 0.00 H new ATOM 0 HA VAL A 847 2.780 1.629 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 847 3.129 -0.687 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 847 5.395 -0.239 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 847 4.374 1.218 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 847 5.621 1.017 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 847 5.052 -1.988 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 847 5.275 -0.832 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.794 -1.816 0.238 1.00 0.00 H new ATOM 1103 N PHE A 848 2.165 -0.438 1.572 1.00 0.00 N ATOM 1104 CA PHE A 848 1.077 -1.056 2.317 1.00 0.00 C ATOM 1105 C PHE A 848 0.140 0.017 2.863 1.00 0.00 C ATOM 1106 O PHE A 848 -1.080 -0.152 2.861 1.00 0.00 O ATOM 1107 CB PHE A 848 1.617 -1.937 3.446 1.00 0.00 C ATOM 1108 CG PHE A 848 1.828 -3.369 3.030 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.899 -4.021 2.235 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.960 -4.061 3.430 1.00 0.00 C ATOM 1111 CE1 PHE A 848 1.094 -5.334 1.847 1.00 0.00 C ATOM 1112 CE2 PHE A 848 3.161 -5.374 3.044 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.227 -6.012 2.252 1.00 0.00 C ATOM 0 H PHE A 848 3.079 -0.505 2.019 1.00 0.00 H new ATOM 0 HA PHE A 848 0.513 -1.697 1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.562 -1.525 3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.922 -1.908 4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 848 0.011 -3.497 1.914 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.694 -3.569 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.361 -5.829 1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 848 4.049 -5.900 3.362 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.382 -7.037 1.950 1.00 0.00 H new ATOM 1123 N ALA A 849 0.711 1.135 3.307 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.086 2.275 3.744 1.00 0.00 C ATOM 1125 C ALA A 849 -0.848 2.872 2.565 1.00 0.00 C ATOM 1126 O ALA A 849 -1.958 3.381 2.718 1.00 0.00 O ATOM 1127 CB ALA A 849 0.795 3.328 4.395 1.00 0.00 C ATOM 0 H ALA A 849 1.719 1.274 3.373 1.00 0.00 H new ATOM 0 HA ALA A 849 -0.807 1.927 4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 849 0.181 4.170 4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 849 1.298 2.897 5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 849 1.540 3.673 3.678 1.00 0.00 H new ATOM 1133 N MET A 850 -0.239 2.798 1.390 1.00 0.00 N ATOM 1134 CA MET A 850 -0.865 3.259 0.155 1.00 0.00 C ATOM 1135 C MET A 850 -2.008 2.328 -0.248 1.00 0.00 C ATOM 1136 O MET A 850 -3.042 2.777 -0.741 1.00 0.00 O ATOM 1137 CB MET A 850 0.186 3.360 -0.955 1.00 0.00 C ATOM 1138 CG MET A 850 -0.314 2.955 -2.329 1.00 0.00 C ATOM 1139 SD MET A 850 0.382 3.969 -3.649 1.00 0.00 S ATOM 1140 CE MET A 850 -0.957 5.131 -3.908 1.00 0.00 C ATOM 0 H MET A 850 0.699 2.419 1.264 1.00 0.00 H new ATOM 0 HA MET A 850 -1.288 4.250 0.319 1.00 0.00 H new ATOM 0 HB2 MET A 850 0.550 4.386 -1.002 1.00 0.00 H new ATOM 0 HB3 MET A 850 1.037 2.732 -0.691 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.063 1.910 -2.509 1.00 0.00 H new ATOM 0 HG3 MET A 850 -1.401 3.031 -2.353 1.00 0.00 H new ATOM 0 HE1 MET A 850 -0.684 5.831 -4.698 1.00 0.00 H new ATOM 0 HE2 MET A 850 -1.857 4.590 -4.199 1.00 0.00 H new ATOM 0 HE3 MET A 850 -1.146 5.680 -2.986 1.00 0.00 H new ATOM 1150 N LEU A 851 -1.819 1.030 -0.028 1.00 0.00 N ATOM 1151 CA LEU A 851 -2.869 0.046 -0.282 1.00 0.00 C ATOM 1152 C LEU A 851 -3.862 0.026 0.876 1.00 0.00 C ATOM 1153 O LEU A 851 -4.894 -0.644 0.812 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.271 -1.350 -0.485 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.208 -1.457 -1.581 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -0.659 -2.872 -1.655 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -1.777 -1.036 -2.926 1.00 0.00 C ATOM 0 H LEU A 851 -0.948 0.634 0.326 1.00 0.00 H new ATOM 0 HA LEU A 851 -3.391 0.332 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -1.832 -1.679 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.080 -2.043 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 851 -0.390 -0.782 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 851 0.095 -2.929 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.209 -3.138 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.469 -3.565 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.004 -1.120 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.615 -1.683 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.120 -0.003 -2.869 1.00 0.00 H new ATOM 1169 N ASN A 852 -3.511 0.742 1.944 1.00 0.00 N ATOM 1170 CA ASN A 852 -4.375 0.907 3.113 1.00 0.00 C ATOM 1171 C ASN A 852 -4.524 -0.409 3.856 1.00 0.00 C ATOM 1172 O ASN A 852 -5.517 -0.652 4.540 1.00 0.00 O ATOM 1173 CB ASN A 852 -5.745 1.458 2.712 1.00 0.00 C ATOM 1174 CG ASN A 852 -5.900 2.926 3.056 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -5.506 3.369 4.136 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.489 3.689 2.148 1.00 0.00 N ATOM 0 H ASN A 852 -2.616 1.226 2.023 1.00 0.00 H new ATOM 0 HA ASN A 852 -3.905 1.630 3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -5.889 1.322 1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -6.525 0.886 3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -6.631 4.682 2.331 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -6.801 3.283 1.266 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.514 -1.250 3.722 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.499 -2.544 4.373 1.00 0.00 C ATOM 1185 C LEU A 853 -2.955 -2.402 5.790 1.00 0.00 C ATOM 1186 O LEU A 853 -1.745 -2.443 6.006 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.655 -3.532 3.560 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.418 -4.734 2.995 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.455 -5.842 2.606 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -4.443 -5.251 3.996 1.00 0.00 C ATOM 0 H LEU A 853 -2.685 -1.055 3.161 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.516 -2.932 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.193 -2.994 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -1.847 -3.900 4.192 1.00 0.00 H new ATOM 0 HG LEU A 853 -3.950 -4.405 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.015 -6.687 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -1.764 -5.474 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.894 -6.161 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -4.970 -6.104 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -3.936 -5.558 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -5.158 -4.461 4.226 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.864 -2.223 6.743 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.502 -1.948 8.136 1.00 0.00 C ATOM 1204 C VAL A 854 -2.542 -2.993 8.719 1.00 0.00 C ATOM 1205 O VAL A 854 -1.451 -2.634 9.158 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.746 -1.837 9.051 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -4.447 -0.959 10.255 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.945 -1.303 8.281 1.00 0.00 C ATOM 0 H VAL A 854 -4.869 -2.264 6.576 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.990 -0.986 8.111 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.994 -2.837 9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -5.333 -0.893 10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.626 -1.392 10.826 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -4.167 0.039 9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.805 -1.235 8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.713 -0.314 7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.178 -1.977 7.457 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.914 -4.291 8.740 1.00 0.00 N ATOM 1219 CA PRO A 855 -2.057 -5.335 9.319 1.00 0.00 C ATOM 1220 C PRO A 855 -0.677 -5.375 8.666 1.00 0.00 C ATOM 1221 O PRO A 855 0.339 -5.493 9.351 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.826 -6.630 9.048 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.240 -6.200 8.876 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.179 -4.850 8.225 1.00 0.00 C ATOM 0 HA PRO A 855 -1.864 -5.163 10.378 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.453 -7.132 8.155 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.723 -7.332 9.875 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.792 -6.908 8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.753 -6.148 9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.174 -4.926 7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -5.034 -4.231 8.497 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.648 -5.251 7.344 1.00 0.00 N ATOM 1233 CA GLY A 856 0.612 -5.243 6.622 1.00 0.00 C ATOM 1234 C GLY A 856 1.451 -4.022 6.953 1.00 0.00 C ATOM 1235 O GLY A 856 2.662 -4.128 7.163 1.00 0.00 O ATOM 0 H GLY A 856 -1.477 -5.156 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 856 1.174 -6.145 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.416 -5.268 5.550 1.00 0.00 H new ATOM 1239 N LYS A 857 0.805 -2.864 7.012 1.00 0.00 N ATOM 1240 CA LYS A 857 1.489 -1.614 7.322 1.00 0.00 C ATOM 1241 C LYS A 857 2.015 -1.635 8.758 1.00 0.00 C ATOM 1242 O LYS A 857 3.128 -1.185 9.026 1.00 0.00 O ATOM 1243 CB LYS A 857 0.541 -0.422 7.068 1.00 0.00 C ATOM 1244 CG LYS A 857 0.115 0.354 8.309 1.00 0.00 C ATOM 1245 CD LYS A 857 -1.318 0.854 8.178 1.00 0.00 C ATOM 1246 CE LYS A 857 -1.457 2.294 8.643 1.00 0.00 C ATOM 1247 NZ LYS A 857 -2.706 2.928 8.142 1.00 0.00 N ATOM 0 H LYS A 857 -0.197 -2.764 6.848 1.00 0.00 H new ATOM 0 HA LYS A 857 2.352 -1.499 6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 857 1.029 0.268 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.354 -0.792 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 857 0.202 -0.284 9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 857 0.786 1.199 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -1.637 0.775 7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 857 -1.980 0.217 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 857 -1.448 2.325 9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -0.597 2.869 8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 -2.759 3.909 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -2.705 2.923 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 -3.529 2.396 8.490 1.00 0.00 H new ATOM 1261 N GLN A 858 1.224 -2.203 9.663 1.00 0.00 N ATOM 1262 CA GLN A 858 1.599 -2.332 11.053 1.00 0.00 C ATOM 1263 C GLN A 858 2.796 -3.268 11.202 1.00 0.00 C ATOM 1264 O GLN A 858 3.694 -3.030 12.015 1.00 0.00 O ATOM 1265 CB GLN A 858 0.405 -2.860 11.840 1.00 0.00 C ATOM 1266 CG GLN A 858 0.624 -2.854 13.332 1.00 0.00 C ATOM 1267 CD GLN A 858 -0.653 -3.097 14.106 1.00 0.00 C ATOM 1268 OE1 GLN A 858 -1.537 -2.242 14.152 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.759 -4.264 14.718 1.00 0.00 N ATOM 0 H GLN A 858 0.304 -2.585 9.445 1.00 0.00 H new ATOM 0 HA GLN A 858 1.889 -1.356 11.443 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.471 -2.256 11.606 1.00 0.00 H new ATOM 0 HB3 GLN A 858 0.186 -3.877 11.516 1.00 0.00 H new ATOM 0 HG2 GLN A 858 1.354 -3.621 13.592 1.00 0.00 H new ATOM 0 HG3 GLN A 858 1.049 -1.895 13.630 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -0.002 -4.944 14.654 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.598 -4.484 15.255 1.00 0.00 H new ATOM 1278 N LEU A 859 2.799 -4.332 10.407 1.00 0.00 N ATOM 1279 CA LEU A 859 3.912 -5.268 10.384 1.00 0.00 C ATOM 1280 C LEU A 859 5.195 -4.543 9.997 1.00 0.00 C ATOM 1281 O LEU A 859 6.218 -4.684 10.663 1.00 0.00 O ATOM 1282 CB LEU A 859 3.637 -6.405 9.398 1.00 0.00 C ATOM 1283 CG LEU A 859 3.129 -7.704 10.024 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.212 -8.437 9.059 1.00 0.00 C ATOM 1285 CD2 LEU A 859 4.296 -8.593 10.425 1.00 0.00 C ATOM 0 H LEU A 859 2.039 -4.567 9.768 1.00 0.00 H new ATOM 0 HA LEU A 859 4.028 -5.693 11.381 1.00 0.00 H new ATOM 0 HB2 LEU A 859 2.904 -6.062 8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.555 -6.619 8.851 1.00 0.00 H new ATOM 0 HG LEU A 859 2.560 -7.455 10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.860 -9.359 9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.359 -7.804 8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 859 2.759 -8.674 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 859 3.917 -9.513 10.869 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.890 -8.833 9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.919 -8.070 11.151 1.00 0.00 H new ATOM 1297 N CYS A 860 5.118 -3.743 8.940 1.00 0.00 N ATOM 1298 CA CYS A 860 6.268 -2.989 8.453 1.00 0.00 C ATOM 1299 C CYS A 860 6.737 -1.958 9.479 1.00 0.00 C ATOM 1300 O CYS A 860 7.934 -1.713 9.614 1.00 0.00 O ATOM 1301 CB CYS A 860 5.923 -2.300 7.135 1.00 0.00 C ATOM 1302 SG CYS A 860 5.287 -3.420 5.869 1.00 0.00 S ATOM 0 H CYS A 860 4.265 -3.599 8.400 1.00 0.00 H new ATOM 0 HA CYS A 860 7.085 -3.692 8.289 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.182 -1.524 7.325 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.814 -1.803 6.752 1.00 0.00 H new ATOM 0 HG CYS A 860 4.121 -3.866 6.230 1.00 0.00 H new ATOM 1308 N GLU A 861 5.793 -1.354 10.195 1.00 0.00 N ATOM 1309 CA GLU A 861 6.128 -0.408 11.257 1.00 0.00 C ATOM 1310 C GLU A 861 6.973 -1.092 12.329 1.00 0.00 C ATOM 1311 O GLU A 861 8.037 -0.599 12.714 1.00 0.00 O ATOM 1312 CB GLU A 861 4.857 0.165 11.890 1.00 0.00 C ATOM 1313 CG GLU A 861 4.054 1.056 10.957 1.00 0.00 C ATOM 1314 CD GLU A 861 4.197 2.527 11.286 1.00 0.00 C ATOM 1315 OE1 GLU A 861 5.340 2.993 11.473 1.00 0.00 O ATOM 1316 OE2 GLU A 861 3.165 3.226 11.351 1.00 0.00 O ATOM 0 H GLU A 861 4.793 -1.501 10.061 1.00 0.00 H new ATOM 0 HA GLU A 861 6.701 0.408 10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.226 -0.659 12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.130 0.737 12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.377 0.885 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.002 0.777 11.011 1.00 0.00 H new ATOM 1323 N THR A 862 6.505 -2.244 12.790 1.00 0.00 N ATOM 1324 CA THR A 862 7.217 -3.004 13.804 1.00 0.00 C ATOM 1325 C THR A 862 8.520 -3.570 13.244 1.00 0.00 C ATOM 1326 O THR A 862 9.524 -3.649 13.951 1.00 0.00 O ATOM 1327 CB THR A 862 6.351 -4.148 14.364 1.00 0.00 C ATOM 1328 OG1 THR A 862 4.978 -3.731 14.447 1.00 0.00 O ATOM 1329 CG2 THR A 862 6.842 -4.563 15.744 1.00 0.00 C ATOM 0 H THR A 862 5.634 -2.672 12.476 1.00 0.00 H new ATOM 0 HA THR A 862 7.448 -2.318 14.619 1.00 0.00 H new ATOM 0 HB THR A 862 6.430 -5.001 13.690 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.600 -3.669 13.545 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.218 -5.372 16.124 1.00 0.00 H new ATOM 0 HG22 THR A 862 7.875 -4.903 15.676 1.00 0.00 H new ATOM 0 HG23 THR A 862 6.784 -3.711 16.422 1.00 0.00 H new ATOM 1337 N LEU A 863 8.502 -3.954 11.969 1.00 0.00 N ATOM 1338 CA LEU A 863 9.709 -4.421 11.290 1.00 0.00 C ATOM 1339 C LEU A 863 10.770 -3.326 11.289 1.00 0.00 C ATOM 1340 O LEU A 863 11.937 -3.581 11.579 1.00 0.00 O ATOM 1341 CB LEU A 863 9.394 -4.835 9.848 1.00 0.00 C ATOM 1342 CG LEU A 863 9.958 -6.191 9.404 1.00 0.00 C ATOM 1343 CD1 LEU A 863 10.090 -6.238 7.891 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.304 -6.462 10.056 1.00 0.00 C ATOM 0 H LEU A 863 7.665 -3.951 11.386 1.00 0.00 H new ATOM 0 HA LEU A 863 10.088 -5.289 11.829 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.311 -4.855 9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 863 9.777 -4.066 9.177 1.00 0.00 H new ATOM 0 HG LEU A 863 9.262 -6.967 9.723 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.491 -7.206 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 863 9.110 -6.094 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 863 10.763 -5.447 7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.681 -7.429 9.724 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.009 -5.681 9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.188 -6.470 11.140 1.00 0.00 H new ATOM 1356 N GLU A 864 10.348 -2.110 10.970 1.00 0.00 N ATOM 1357 CA GLU A 864 11.236 -0.956 10.982 1.00 0.00 C ATOM 1358 C GLU A 864 11.799 -0.729 12.381 1.00 0.00 C ATOM 1359 O GLU A 864 12.962 -0.356 12.543 1.00 0.00 O ATOM 1360 CB GLU A 864 10.489 0.285 10.501 1.00 0.00 C ATOM 1361 CG GLU A 864 11.298 1.145 9.550 1.00 0.00 C ATOM 1362 CD GLU A 864 11.268 2.604 9.938 1.00 0.00 C ATOM 1363 OE1 GLU A 864 10.184 3.098 10.314 1.00 0.00 O ATOM 1364 OE2 GLU A 864 12.320 3.265 9.876 1.00 0.00 O ATOM 0 H GLU A 864 9.388 -1.897 10.698 1.00 0.00 H new ATOM 0 HA GLU A 864 12.068 -1.149 10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.568 -0.024 10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.201 0.884 11.365 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.330 0.796 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.908 1.031 8.538 1.00 0.00 H new ATOM 1371 N HIS A 865 10.969 -0.964 13.392 1.00 0.00 N ATOM 1372 CA HIS A 865 11.408 -0.904 14.785 1.00 0.00 C ATOM 1373 C HIS A 865 12.459 -1.982 15.058 1.00 0.00 C ATOM 1374 O HIS A 865 13.376 -1.776 15.841 1.00 0.00 O ATOM 1375 CB HIS A 865 10.202 -1.076 15.726 1.00 0.00 C ATOM 1376 CG HIS A 865 10.469 -0.739 17.170 1.00 0.00 C ATOM 1377 ND1 HIS A 865 9.675 0.120 17.900 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.428 -1.168 18.026 1.00 0.00 C ATOM 1379 CE1 HIS A 865 10.139 0.207 19.133 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.203 -0.564 19.236 1.00 0.00 N ATOM 0 H HIS A 865 9.984 -1.199 13.273 1.00 0.00 H new ATOM 0 HA HIS A 865 11.859 0.071 14.971 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.387 -0.448 15.366 1.00 0.00 H new ATOM 0 HB3 HIS A 865 9.858 -2.109 15.667 1.00 0.00 H new ATOM 0 HD2 HIS A 865 12.225 -1.860 17.797 1.00 0.00 H new ATOM 0 HE1 HIS A 865 9.717 0.809 19.924 1.00 0.00 H new ATOM 0 HE2 HIS A 865 11.766 -0.690 20.077 1.00 0.00 H new ATOM 1389 N LEU A 866 12.335 -3.123 14.407 1.00 0.00 N ATOM 1390 CA LEU A 866 13.305 -4.196 14.577 1.00 0.00 C ATOM 1391 C LEU A 866 14.602 -3.859 13.845 1.00 0.00 C ATOM 1392 O LEU A 866 15.689 -4.223 14.290 1.00 0.00 O ATOM 1393 CB LEU A 866 12.734 -5.521 14.075 1.00 0.00 C ATOM 1394 CG LEU A 866 11.632 -6.111 14.951 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.671 -6.933 14.114 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.233 -6.954 16.063 1.00 0.00 C ATOM 0 H LEU A 866 11.577 -3.333 13.758 1.00 0.00 H new ATOM 0 HA LEU A 866 13.524 -4.300 15.640 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.341 -5.374 13.069 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.545 -6.245 13.998 1.00 0.00 H new ATOM 0 HG LEU A 866 11.074 -5.292 15.405 1.00 0.00 H new ATOM 0 HD11 LEU A 866 9.892 -7.346 14.755 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.217 -6.298 13.353 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.213 -7.746 13.631 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.434 -7.367 16.679 1.00 0.00 H new ATOM 0 HD22 LEU A 866 12.815 -7.767 15.629 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.882 -6.333 16.680 1.00 0.00 H new ATOM 1408 N ILE A 867 14.474 -3.157 12.722 1.00 0.00 N ATOM 1409 CA ILE A 867 15.635 -2.670 11.982 1.00 0.00 C ATOM 1410 C ILE A 867 16.371 -1.613 12.800 1.00 0.00 C ATOM 1411 O ILE A 867 17.591 -1.664 12.952 1.00 0.00 O ATOM 1412 CB ILE A 867 15.237 -2.058 10.616 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.404 -3.048 9.791 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.479 -1.625 9.845 1.00 0.00 C ATOM 1415 CD1 ILE A 867 15.194 -4.220 9.253 1.00 0.00 C ATOM 0 H ILE A 867 13.576 -2.912 12.304 1.00 0.00 H new ATOM 0 HA ILE A 867 16.282 -3.528 11.799 1.00 0.00 H new ATOM 0 HB ILE A 867 14.622 -1.178 10.804 1.00 0.00 H new ATOM 0 HG12 ILE A 867 13.590 -3.426 10.410 1.00 0.00 H new ATOM 0 HG13 ILE A 867 13.949 -2.516 8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.182 -1.197 8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.024 -0.878 10.423 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.120 -2.490 9.673 1.00 0.00 H new ATOM 0 HD11 ILE A 867 14.534 -4.872 8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 867 15.992 -3.855 8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 867 15.627 -4.779 10.083 1.00 0.00 H new ATOM 1427 N ARG A 868 15.611 -0.664 13.337 1.00 0.00 N ATOM 1428 CA ARG A 868 16.165 0.405 14.161 1.00 0.00 C ATOM 1429 C ARG A 868 16.820 -0.166 15.418 1.00 0.00 C ATOM 1430 O ARG A 868 17.829 0.345 15.897 1.00 0.00 O ATOM 1431 CB ARG A 868 15.057 1.408 14.532 1.00 0.00 C ATOM 1432 CG ARG A 868 14.198 0.985 15.711 1.00 0.00 C ATOM 1433 CD ARG A 868 14.206 2.016 16.823 1.00 0.00 C ATOM 1434 NE ARG A 868 15.479 2.064 17.542 1.00 0.00 N ATOM 1435 CZ ARG A 868 16.315 3.100 17.505 1.00 0.00 C ATOM 1436 NH1 ARG A 868 16.017 4.172 16.783 1.00 0.00 N ATOM 1437 NH2 ARG A 868 17.444 3.066 18.197 1.00 0.00 N ATOM 0 H ARG A 868 14.600 -0.614 13.214 1.00 0.00 H new ATOM 0 HA ARG A 868 16.933 0.926 13.590 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.516 2.370 14.759 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.414 1.558 13.665 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.174 0.825 15.374 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.559 0.032 16.098 1.00 0.00 H new ATOM 0 HD2 ARG A 868 13.994 2.999 16.402 1.00 0.00 H new ATOM 0 HD3 ARG A 868 13.405 1.791 17.527 1.00 0.00 H new ATOM 0 HE ARG A 868 15.742 1.256 18.105 1.00 0.00 H new ATOM 0 HH11 ARG A 868 15.145 4.205 16.254 1.00 0.00 H new ATOM 0 HH12 ARG A 868 16.659 4.964 16.757 1.00 0.00 H new ATOM 0 HH21 ARG A 868 17.673 2.246 18.759 1.00 0.00 H new ATOM 0 HH22 ARG A 868 18.084 3.860 18.168 1.00 0.00 H new ATOM 1451 N GLU A 869 16.240 -1.237 15.938 1.00 0.00 N ATOM 1452 CA GLU A 869 16.717 -1.871 17.135 1.00 0.00 C ATOM 1453 C GLU A 869 17.770 -2.933 16.822 1.00 0.00 C ATOM 1454 O GLU A 869 18.329 -3.549 17.732 1.00 0.00 O ATOM 1455 CB GLU A 869 15.518 -2.474 17.844 1.00 0.00 C ATOM 1456 CG GLU A 869 15.430 -2.097 19.297 1.00 0.00 C ATOM 1457 CD GLU A 869 15.187 -0.617 19.504 1.00 0.00 C ATOM 1458 OE1 GLU A 869 16.149 0.170 19.367 1.00 0.00 O ATOM 1459 OE2 GLU A 869 14.037 -0.227 19.801 1.00 0.00 O ATOM 0 H GLU A 869 15.420 -1.686 15.530 1.00 0.00 H new ATOM 0 HA GLU A 869 17.204 -1.138 17.778 1.00 0.00 H new ATOM 0 HB2 GLU A 869 14.607 -2.154 17.338 1.00 0.00 H new ATOM 0 HB3 GLU A 869 15.564 -3.560 17.760 1.00 0.00 H new ATOM 0 HG2 GLU A 869 14.625 -2.662 19.766 1.00 0.00 H new ATOM 0 HG3 GLU A 869 16.355 -2.383 19.799 1.00 0.00 H new ATOM 1466 N LYS A 870 18.023 -3.132 15.529 1.00 0.00 N ATOM 1467 CA LYS A 870 19.049 -4.058 15.046 1.00 0.00 C ATOM 1468 C LYS A 870 18.864 -5.460 15.622 1.00 0.00 C ATOM 1469 O LYS A 870 19.809 -6.065 16.129 1.00 0.00 O ATOM 1470 CB LYS A 870 20.447 -3.527 15.382 1.00 0.00 C ATOM 1471 CG LYS A 870 21.119 -2.806 14.224 1.00 0.00 C ATOM 1472 CD LYS A 870 20.564 -1.401 14.045 1.00 0.00 C ATOM 1473 CE LYS A 870 21.137 -0.730 12.809 1.00 0.00 C ATOM 1474 NZ LYS A 870 22.569 -0.364 12.982 1.00 0.00 N ATOM 0 H LYS A 870 17.520 -2.653 14.782 1.00 0.00 H new ATOM 0 HA LYS A 870 18.944 -4.129 13.963 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.374 -2.846 16.230 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.077 -4.359 15.696 1.00 0.00 H new ATOM 0 HG2 LYS A 870 22.193 -2.754 14.400 1.00 0.00 H new ATOM 0 HG3 LYS A 870 20.974 -3.375 13.306 1.00 0.00 H new ATOM 0 HD2 LYS A 870 19.478 -1.445 13.966 1.00 0.00 H new ATOM 0 HD3 LYS A 870 20.795 -0.802 14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 870 21.035 -1.399 11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 870 20.559 0.166 12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 22.918 0.091 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 22.665 0.295 13.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 23.126 -1.222 13.172 1.00 0.00 H new ATOM 1488 N ASP A 871 17.644 -5.972 15.544 1.00 0.00 N ATOM 1489 CA ASP A 871 17.355 -7.307 16.050 1.00 0.00 C ATOM 1490 C ASP A 871 17.184 -8.291 14.904 1.00 0.00 C ATOM 1491 O ASP A 871 16.098 -8.419 14.341 1.00 0.00 O ATOM 1492 CB ASP A 871 16.103 -7.305 16.920 1.00 0.00 C ATOM 1493 CG ASP A 871 16.035 -8.534 17.800 1.00 0.00 C ATOM 1494 OD1 ASP A 871 16.852 -8.641 18.738 1.00 0.00 O ATOM 1495 OD2 ASP A 871 15.179 -9.407 17.548 1.00 0.00 O ATOM 0 H ASP A 871 16.843 -5.488 15.138 1.00 0.00 H new ATOM 0 HA ASP A 871 18.202 -7.619 16.661 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.093 -6.410 17.542 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.218 -7.262 16.285 1.00 0.00 H new ATOM 1500 N VAL A 872 18.263 -8.996 14.585 1.00 0.00 N ATOM 1501 CA VAL A 872 18.300 -9.914 13.444 1.00 0.00 C ATOM 1502 C VAL A 872 17.159 -10.944 13.482 1.00 0.00 C ATOM 1503 O VAL A 872 16.377 -11.023 12.529 1.00 0.00 O ATOM 1504 CB VAL A 872 19.656 -10.648 13.351 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.786 -11.369 12.019 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.809 -9.671 13.545 1.00 0.00 C ATOM 0 H VAL A 872 19.138 -8.950 15.107 1.00 0.00 H new ATOM 0 HA VAL A 872 18.168 -9.295 12.556 1.00 0.00 H new ATOM 0 HB VAL A 872 19.697 -11.391 14.148 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.748 -11.879 11.974 1.00 0.00 H new ATOM 0 HG12 VAL A 872 18.983 -12.099 11.921 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.721 -10.646 11.206 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.756 -10.207 13.476 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.769 -8.903 12.772 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.728 -9.203 14.526 1.00 0.00 H new ATOM 1516 N PRO A 873 17.038 -11.746 14.574 1.00 0.00 N ATOM 1517 CA PRO A 873 15.980 -12.762 14.688 1.00 0.00 C ATOM 1518 C PRO A 873 14.586 -12.176 14.484 1.00 0.00 C ATOM 1519 O PRO A 873 13.769 -12.737 13.751 1.00 0.00 O ATOM 1520 CB PRO A 873 16.132 -13.286 16.120 1.00 0.00 C ATOM 1521 CG PRO A 873 17.551 -13.015 16.473 1.00 0.00 C ATOM 1522 CD PRO A 873 17.912 -11.740 15.765 1.00 0.00 C ATOM 0 HA PRO A 873 16.080 -13.534 13.925 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.450 -12.778 16.802 1.00 0.00 H new ATOM 0 HB3 PRO A 873 15.906 -14.351 16.178 1.00 0.00 H new ATOM 0 HG2 PRO A 873 17.673 -12.912 17.551 1.00 0.00 H new ATOM 0 HG3 PRO A 873 18.196 -13.834 16.156 1.00 0.00 H new ATOM 0 HD2 PRO A 873 17.729 -10.867 16.392 1.00 0.00 H new ATOM 0 HD3 PRO A 873 18.966 -11.719 15.489 1.00 0.00 H new ATOM 1530 N GLY A 874 14.331 -11.037 15.118 1.00 0.00 N ATOM 1531 CA GLY A 874 13.042 -10.391 14.991 1.00 0.00 C ATOM 1532 C GLY A 874 12.781 -9.905 13.583 1.00 0.00 C ATOM 1533 O GLY A 874 11.671 -10.050 13.068 1.00 0.00 O ATOM 0 H GLY A 874 14.997 -10.550 15.718 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.258 -11.089 15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 874 12.991 -9.548 15.680 1.00 0.00 H new ATOM 1537 N ILE A 875 13.809 -9.338 12.958 1.00 0.00 N ATOM 1538 CA ILE A 875 13.697 -8.828 11.598 1.00 0.00 C ATOM 1539 C ILE A 875 13.219 -9.918 10.644 1.00 0.00 C ATOM 1540 O ILE A 875 12.162 -9.785 10.024 1.00 0.00 O ATOM 1541 CB ILE A 875 15.042 -8.248 11.087 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.349 -6.924 11.788 1.00 0.00 C ATOM 1543 CG2 ILE A 875 15.011 -8.046 9.576 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.800 -6.503 11.682 1.00 0.00 C ATOM 0 H ILE A 875 14.732 -9.221 13.375 1.00 0.00 H new ATOM 0 HA ILE A 875 12.962 -8.023 11.623 1.00 0.00 H new ATOM 0 HB ILE A 875 15.830 -8.964 11.320 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.721 -6.142 11.361 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.080 -7.009 12.841 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.966 -7.639 9.244 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.834 -9.003 9.085 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.211 -7.352 9.318 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.943 -5.556 12.202 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.434 -7.265 12.135 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.069 -6.385 10.632 1.00 0.00 H new ATOM 1556 N GLU A 876 13.974 -11.008 10.551 1.00 0.00 N ATOM 1557 CA GLU A 876 13.644 -12.069 9.608 1.00 0.00 C ATOM 1558 C GLU A 876 12.337 -12.758 9.991 1.00 0.00 C ATOM 1559 O GLU A 876 11.565 -13.152 9.122 1.00 0.00 O ATOM 1560 CB GLU A 876 14.778 -13.090 9.494 1.00 0.00 C ATOM 1561 CG GLU A 876 15.366 -13.536 10.819 1.00 0.00 C ATOM 1562 CD GLU A 876 16.301 -14.715 10.656 1.00 0.00 C ATOM 1563 OE1 GLU A 876 16.761 -14.962 9.522 1.00 0.00 O ATOM 1564 OE2 GLU A 876 16.569 -15.414 11.651 1.00 0.00 O ATOM 0 H GLU A 876 14.809 -11.179 11.111 1.00 0.00 H new ATOM 0 HA GLU A 876 13.512 -11.605 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.407 -13.967 8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.574 -12.662 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 876 15.906 -12.705 11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 876 14.560 -13.804 11.502 1.00 0.00 H new ATOM 1571 N LYS A 877 12.084 -12.873 11.293 1.00 0.00 N ATOM 1572 CA LYS A 877 10.841 -13.465 11.782 1.00 0.00 C ATOM 1573 C LYS A 877 9.637 -12.679 11.271 1.00 0.00 C ATOM 1574 O LYS A 877 8.621 -13.260 10.874 1.00 0.00 O ATOM 1575 CB LYS A 877 10.824 -13.495 13.314 1.00 0.00 C ATOM 1576 CG LYS A 877 10.842 -14.899 13.905 1.00 0.00 C ATOM 1577 CD LYS A 877 9.602 -15.693 13.511 1.00 0.00 C ATOM 1578 CE LYS A 877 8.320 -15.026 13.991 1.00 0.00 C ATOM 1579 NZ LYS A 877 7.386 -14.754 12.864 1.00 0.00 N ATOM 0 H LYS A 877 12.722 -12.565 12.027 1.00 0.00 H new ATOM 0 HA LYS A 877 10.784 -14.487 11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.686 -12.943 13.688 1.00 0.00 H new ATOM 0 HB3 LYS A 877 9.934 -12.974 13.668 1.00 0.00 H new ATOM 0 HG2 LYS A 877 11.734 -15.425 13.565 1.00 0.00 H new ATOM 0 HG3 LYS A 877 10.903 -14.836 14.991 1.00 0.00 H new ATOM 0 HD2 LYS A 877 9.570 -15.801 12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 877 9.667 -16.697 13.930 1.00 0.00 H new ATOM 0 HE2 LYS A 877 7.829 -15.666 14.724 1.00 0.00 H new ATOM 0 HE3 LYS A 877 8.563 -14.091 14.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 6.725 -13.998 13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 7.928 -14.456 12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 6.851 -15.617 12.640 1.00 0.00 H new ATOM 1593 N TYR A 878 9.756 -11.359 11.280 1.00 0.00 N ATOM 1594 CA TYR A 878 8.679 -10.496 10.826 1.00 0.00 C ATOM 1595 C TYR A 878 8.564 -10.528 9.311 1.00 0.00 C ATOM 1596 O TYR A 878 7.468 -10.402 8.768 1.00 0.00 O ATOM 1597 CB TYR A 878 8.879 -9.069 11.325 1.00 0.00 C ATOM 1598 CG TYR A 878 8.060 -8.769 12.555 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.219 -9.519 13.713 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.123 -7.746 12.557 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.467 -9.256 14.840 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.368 -7.477 13.681 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.544 -8.234 14.820 1.00 0.00 C ATOM 1604 OH TYR A 878 5.796 -7.968 15.944 1.00 0.00 O ATOM 0 H TYR A 878 10.589 -10.863 11.597 1.00 0.00 H new ATOM 0 HA TYR A 878 7.745 -10.872 11.245 1.00 0.00 H new ATOM 0 HB2 TYR A 878 9.934 -8.909 11.547 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.610 -8.369 10.534 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.942 -10.321 13.732 1.00 0.00 H new ATOM 0 HD2 TYR A 878 6.982 -7.151 11.666 1.00 0.00 H new ATOM 0 HE1 TYR A 878 7.602 -9.848 15.733 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.643 -6.677 13.668 1.00 0.00 H new ATOM 0 HH TYR A 878 6.311 -8.206 16.743 1.00 0.00 H new ATOM 1614 N ILE A 879 9.689 -10.700 8.628 1.00 0.00 N ATOM 1615 CA ILE A 879 9.664 -10.887 7.185 1.00 0.00 C ATOM 1616 C ILE A 879 8.867 -12.145 6.842 1.00 0.00 C ATOM 1617 O ILE A 879 8.069 -12.147 5.907 1.00 0.00 O ATOM 1618 CB ILE A 879 11.080 -10.984 6.572 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.913 -9.757 6.949 1.00 0.00 C ATOM 1620 CG2 ILE A 879 10.993 -11.114 5.058 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.381 -9.881 6.590 1.00 0.00 C ATOM 0 H ILE A 879 10.620 -10.714 9.045 1.00 0.00 H new ATOM 0 HA ILE A 879 9.186 -10.007 6.754 1.00 0.00 H new ATOM 0 HB ILE A 879 11.569 -11.872 6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.499 -8.881 6.450 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.824 -9.584 8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 879 11.998 -11.181 4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.432 -12.013 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.487 -10.241 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.906 -8.973 6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.812 -10.737 7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.482 -10.022 5.514 1.00 0.00 H new ATOM 1633 N SER A 880 9.073 -13.206 7.622 1.00 0.00 N ATOM 1634 CA SER A 880 8.295 -14.430 7.461 1.00 0.00 C ATOM 1635 C SER A 880 6.818 -14.170 7.743 1.00 0.00 C ATOM 1636 O SER A 880 5.947 -14.745 7.099 1.00 0.00 O ATOM 1637 CB SER A 880 8.809 -15.525 8.394 1.00 0.00 C ATOM 1638 OG SER A 880 10.222 -15.498 8.492 1.00 0.00 O ATOM 0 H SER A 880 9.769 -13.241 8.367 1.00 0.00 H new ATOM 0 HA SER A 880 8.407 -14.763 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.371 -15.397 9.384 1.00 0.00 H new ATOM 0 HB3 SER A 880 8.487 -16.499 8.027 1.00 0.00 H new ATOM 0 HG SER A 880 10.522 -16.209 9.097 1.00 0.00 H new ATOM 1644 N ASP A 881 6.538 -13.304 8.708 1.00 0.00 N ATOM 1645 CA ASP A 881 5.157 -12.957 9.044 1.00 0.00 C ATOM 1646 C ASP A 881 4.499 -12.195 7.896 1.00 0.00 C ATOM 1647 O ASP A 881 3.334 -12.416 7.581 1.00 0.00 O ATOM 1648 CB ASP A 881 5.112 -12.121 10.329 1.00 0.00 C ATOM 1649 CG ASP A 881 4.955 -12.967 11.576 1.00 0.00 C ATOM 1650 OD1 ASP A 881 4.092 -13.864 11.588 1.00 0.00 O ATOM 1651 OD2 ASP A 881 5.700 -12.740 12.555 1.00 0.00 O ATOM 0 H ASP A 881 7.243 -12.829 9.272 1.00 0.00 H new ATOM 0 HA ASP A 881 4.603 -13.881 9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.027 -11.534 10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 881 4.284 -11.415 10.268 1.00 0.00 H new ATOM 1656 N ILE A 882 5.250 -11.301 7.270 1.00 0.00 N ATOM 1657 CA ILE A 882 4.761 -10.584 6.097 1.00 0.00 C ATOM 1658 C ILE A 882 4.614 -11.543 4.915 1.00 0.00 C ATOM 1659 O ILE A 882 3.693 -11.419 4.104 1.00 0.00 O ATOM 1660 CB ILE A 882 5.699 -9.418 5.708 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.779 -8.398 6.846 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.225 -8.743 4.426 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.820 -7.324 6.624 1.00 0.00 C ATOM 0 H ILE A 882 6.198 -11.054 7.552 1.00 0.00 H new ATOM 0 HA ILE A 882 3.788 -10.165 6.351 1.00 0.00 H new ATOM 0 HB ILE A 882 6.694 -9.826 5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.804 -7.927 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 882 6.001 -8.921 7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 882 5.901 -7.926 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.215 -9.470 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.219 -8.349 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.820 -6.637 7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.804 -7.784 6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.588 -6.775 5.711 1.00 0.00 H new ATOM 1675 N ASP A 883 5.504 -12.522 4.853 1.00 0.00 N ATOM 1676 CA ASP A 883 5.528 -13.475 3.756 1.00 0.00 C ATOM 1677 C ASP A 883 4.356 -14.427 3.883 1.00 0.00 C ATOM 1678 O ASP A 883 3.682 -14.736 2.904 1.00 0.00 O ATOM 1679 CB ASP A 883 6.865 -14.227 3.747 1.00 0.00 C ATOM 1680 CG ASP A 883 6.737 -15.737 3.612 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.491 -16.415 4.628 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.902 -16.259 2.489 1.00 0.00 O ATOM 0 H ASP A 883 6.225 -12.677 5.557 1.00 0.00 H new ATOM 0 HA ASP A 883 5.435 -12.947 2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.473 -13.851 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.401 -14.001 4.669 1.00 0.00 H new ATOM 1687 N SER A 884 4.105 -14.861 5.104 1.00 0.00 N ATOM 1688 CA SER A 884 2.970 -15.707 5.401 1.00 0.00 C ATOM 1689 C SER A 884 1.676 -14.929 5.182 1.00 0.00 C ATOM 1690 O SER A 884 0.670 -15.485 4.748 1.00 0.00 O ATOM 1691 CB SER A 884 3.067 -16.217 6.840 1.00 0.00 C ATOM 1692 OG SER A 884 3.409 -15.180 7.734 1.00 0.00 O ATOM 0 H SER A 884 4.682 -14.636 5.914 1.00 0.00 H new ATOM 0 HA SER A 884 2.970 -16.568 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.114 -16.655 7.137 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.814 -17.009 6.897 1.00 0.00 H new ATOM 0 HG SER A 884 4.383 -15.140 7.831 1.00 0.00 H new ATOM 1698 N TYR A 885 1.733 -13.630 5.454 1.00 0.00 N ATOM 1699 CA TYR A 885 0.587 -12.737 5.273 1.00 0.00 C ATOM 1700 C TYR A 885 0.178 -12.702 3.816 1.00 0.00 C ATOM 1701 O TYR A 885 -0.949 -13.038 3.434 1.00 0.00 O ATOM 1702 CB TYR A 885 0.969 -11.317 5.696 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.199 -10.361 5.807 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -1.218 -10.565 6.730 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.277 -9.249 4.978 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -2.281 -9.685 6.823 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.335 -8.366 5.066 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.334 -8.589 5.988 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.389 -7.707 6.073 1.00 0.00 O ATOM 0 H TYR A 885 2.570 -13.165 5.805 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.238 -13.106 5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.478 -11.363 6.659 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.683 -10.917 4.976 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -1.179 -11.423 7.384 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.503 -9.072 4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -3.065 -9.855 7.546 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.379 -7.505 4.415 1.00 0.00 H new ATOM 0 HH TYR A 885 -4.116 -8.116 6.587 1.00 0.00 H new ATOM 1719 N VAL A 886 1.138 -12.314 3.009 1.00 0.00 N ATOM 1720 CA VAL A 886 0.947 -12.139 1.594 1.00 0.00 C ATOM 1721 C VAL A 886 0.672 -13.484 0.913 1.00 0.00 C ATOM 1722 O VAL A 886 -0.080 -13.554 -0.057 1.00 0.00 O ATOM 1723 CB VAL A 886 2.183 -11.416 1.018 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.865 -12.200 -0.092 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.798 -10.032 0.538 1.00 0.00 C ATOM 0 H VAL A 886 2.086 -12.109 3.325 1.00 0.00 H new ATOM 0 HA VAL A 886 0.070 -11.521 1.401 1.00 0.00 H new ATOM 0 HB VAL A 886 2.910 -11.332 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.727 -11.640 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.195 -13.164 0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 886 2.163 -12.358 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.677 -9.530 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.038 -10.115 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.402 -9.454 1.373 1.00 0.00 H new ATOM 1735 N LYS A 887 1.254 -14.551 1.462 1.00 0.00 N ATOM 1736 CA LYS A 887 1.000 -15.906 0.979 1.00 0.00 C ATOM 1737 C LYS A 887 -0.422 -16.343 1.316 1.00 0.00 C ATOM 1738 O LYS A 887 -1.013 -17.167 0.621 1.00 0.00 O ATOM 1739 CB LYS A 887 1.991 -16.891 1.602 1.00 0.00 C ATOM 1740 CG LYS A 887 2.949 -17.507 0.598 1.00 0.00 C ATOM 1741 CD LYS A 887 4.329 -17.733 1.202 1.00 0.00 C ATOM 1742 CE LYS A 887 4.251 -18.448 2.544 1.00 0.00 C ATOM 1743 NZ LYS A 887 5.593 -18.631 3.157 1.00 0.00 N ATOM 0 H LYS A 887 1.907 -14.501 2.244 1.00 0.00 H new ATOM 0 HA LYS A 887 1.125 -15.903 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.566 -16.377 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 887 1.436 -17.687 2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.546 -18.456 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.034 -16.855 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 887 4.935 -18.320 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 887 4.831 -16.774 1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 887 3.617 -17.877 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 887 3.778 -19.421 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 5.850 -19.639 3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 6.297 -18.083 2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 5.572 -18.300 4.143 1.00 0.00 H new ATOM 1757 N SER A 888 -0.958 -15.804 2.402 1.00 0.00 N ATOM 1758 CA SER A 888 -2.325 -16.100 2.799 1.00 0.00 C ATOM 1759 C SER A 888 -3.312 -15.359 1.905 1.00 0.00 C ATOM 1760 O SER A 888 -4.437 -15.810 1.694 1.00 0.00 O ATOM 1761 CB SER A 888 -2.553 -15.721 4.263 1.00 0.00 C ATOM 1762 OG SER A 888 -1.696 -16.459 5.120 1.00 0.00 O ATOM 0 H SER A 888 -0.467 -15.160 3.022 1.00 0.00 H new ATOM 0 HA SER A 888 -2.489 -17.172 2.687 1.00 0.00 H new ATOM 0 HB2 SER A 888 -2.376 -14.654 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.592 -15.909 4.533 1.00 0.00 H new ATOM 0 HG SER A 888 -0.898 -15.927 5.322 1.00 0.00 H new ATOM 1768 N LEU A 889 -2.881 -14.215 1.393 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.702 -13.430 0.486 1.00 0.00 C ATOM 1770 C LEU A 889 -3.649 -13.991 -0.937 1.00 0.00 C ATOM 1771 O LEU A 889 -4.679 -14.373 -1.496 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.249 -11.971 0.490 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.986 -11.070 1.481 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -2.997 -10.318 2.355 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.893 -10.098 0.744 1.00 0.00 C ATOM 0 H LEU A 889 -1.966 -13.810 1.591 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.733 -13.486 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.183 -11.938 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.376 -11.564 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 889 -4.604 -11.698 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -3.540 -9.682 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -2.388 -11.031 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.353 -9.701 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -5.410 -9.465 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -4.295 -9.476 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -5.626 -10.655 0.160 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.453 -14.061 -1.517 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.312 -14.499 -2.900 1.00 0.00 C ATOM 1789 C LEU A 890 -1.776 -15.925 -2.975 1.00 0.00 C ATOM 1790 O LEU A 890 -0.822 -16.253 -2.244 1.00 0.00 O ATOM 1791 CB LEU A 890 -1.410 -13.539 -3.690 1.00 0.00 C ATOM 1792 CG LEU A 890 0.087 -13.591 -3.360 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.863 -14.246 -4.491 1.00 0.00 C ATOM 1794 CD2 LEU A 890 0.620 -12.194 -3.093 1.00 0.00 C ATOM 1795 OXT LEU A 890 -2.329 -16.722 -3.767 1.00 0.00 O ATOM 0 H LEU A 890 -1.576 -13.822 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 890 -3.303 -14.488 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.534 -13.748 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -1.763 -12.521 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 890 0.219 -14.192 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.923 -14.273 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 890 0.500 -15.263 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.724 -13.673 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 890 1.683 -12.249 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 890 0.473 -11.573 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 890 0.086 -11.756 -2.250 1.00 0.00 H new