USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=21 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 839 GLN : amide:sc= -0.715! C(o=-0.69!,f=-0.85!) USER MOD Set 1.2: A 842 HIS : no HE2:sc= 0.028 X(o=-0.69,f=-1.1) USER MOD Single : A 802 ASN : amide:sc= -0.0342 X(o=-0.034,f=-0.18) USER MOD Single : A 804 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 806 HIS : no HD1:sc= -0.0894 X(o=-0.089,f=-0.023) USER MOD Single : A 808 SER OG : rot -80:sc= 0.942 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot 142:sc= -2.41! USER MOD Single : A 817 THR OG1 : rot 180:sc= 0 USER MOD Single : A 823 LYS NZ :NH3+ -145:sc= 1.26 (180deg=0.0675) USER MOD Single : A 826 TYR OH : rot 179:sc= 1.17 USER MOD Single : A 827 THR OG1 : rot 68:sc= 0.682 USER MOD Single : A 831 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 832 SER OG : rot 45:sc= 0.283 USER MOD Single : A 840 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 845 LYS NZ :NH3+ -108:sc= 1.3 (180deg=-0.601) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 860 CYS SG : rot 59:sc= -2.69! USER MOD Single : A 862 THR OG1 : rot 74:sc= 1.12 USER MOD Single : A 865 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ 140:sc= 1.21 (180deg=1.1) USER MOD Single : A 878 TYR OH : rot 30:sc=-8.63e-05 USER MOD Single : A 880 SER OG : rot 56:sc= 1.07 USER MOD Single : A 884 SER OG : rot -86:sc= 0.0711 USER MOD Single : A 885 TYR OH : rot -90:sc= -0.992 USER MOD Single : A 887 LYS NZ :NH3+ -147:sc= 1.2 (180deg=0.851) USER MOD Single : A 888 SER OG : rot 180:sc= 0.00796 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -8.329 -7.566 2.201 1.00 0.00 N ATOM 407 CA ASN A 802 -7.948 -8.075 0.887 1.00 0.00 C ATOM 408 C ASN A 802 -9.052 -7.797 -0.130 1.00 0.00 C ATOM 409 O ASN A 802 -8.783 -7.412 -1.271 1.00 0.00 O ATOM 410 CB ASN A 802 -7.664 -9.582 0.946 1.00 0.00 C ATOM 411 CG ASN A 802 -8.721 -10.347 1.723 1.00 0.00 C ATOM 412 OD1 ASN A 802 -8.682 -10.401 2.954 1.00 0.00 O ATOM 413 ND2 ASN A 802 -9.666 -10.943 1.017 1.00 0.00 N ATOM 0 HA ASN A 802 -7.038 -7.561 0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -7.607 -9.977 -0.068 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -6.690 -9.746 1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -10.399 -11.472 1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -9.662 -10.874 -0.001 1.00 0.00 H new ATOM 420 N ALA A 803 -10.295 -7.974 0.301 1.00 0.00 N ATOM 421 CA ALA A 803 -11.445 -7.724 -0.552 1.00 0.00 C ATOM 422 C ALA A 803 -11.547 -6.243 -0.887 1.00 0.00 C ATOM 423 O ALA A 803 -11.810 -5.874 -2.031 1.00 0.00 O ATOM 424 CB ALA A 803 -12.722 -8.204 0.119 1.00 0.00 C ATOM 0 H ALA A 803 -10.531 -8.291 1.241 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.312 -8.281 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.572 -8.008 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.651 -9.274 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -12.859 -7.674 1.061 1.00 0.00 H new ATOM 430 N GLN A 804 -11.322 -5.400 0.117 1.00 0.00 N ATOM 431 CA GLN A 804 -11.364 -3.953 -0.066 1.00 0.00 C ATOM 432 C GLN A 804 -10.283 -3.498 -1.040 1.00 0.00 C ATOM 433 O GLN A 804 -10.524 -2.641 -1.890 1.00 0.00 O ATOM 434 CB GLN A 804 -11.186 -3.239 1.277 1.00 0.00 C ATOM 435 CG GLN A 804 -12.260 -2.199 1.560 1.00 0.00 C ATOM 436 CD GLN A 804 -12.151 -0.981 0.660 1.00 0.00 C ATOM 437 OE1 GLN A 804 -12.927 -0.817 -0.280 1.00 0.00 O ATOM 438 NE2 GLN A 804 -11.190 -0.118 0.947 1.00 0.00 N ATOM 0 H GLN A 804 -11.108 -5.696 1.069 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.338 -3.694 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.190 -3.980 2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -10.209 -2.755 1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -13.242 -2.653 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -12.189 -1.884 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -10.567 -0.292 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -11.072 0.721 0.379 1.00 0.00 H new ATOM 447 N LEU A 805 -9.099 -4.086 -0.918 1.00 0.00 N ATOM 448 CA LEU A 805 -7.972 -3.734 -1.772 1.00 0.00 C ATOM 449 C LEU A 805 -8.202 -4.210 -3.210 1.00 0.00 C ATOM 450 O LEU A 805 -7.726 -3.591 -4.166 1.00 0.00 O ATOM 451 CB LEU A 805 -6.671 -4.302 -1.181 1.00 0.00 C ATOM 452 CG LEU A 805 -5.779 -5.084 -2.134 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.494 -4.318 -2.405 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.467 -6.461 -1.568 1.00 0.00 C ATOM 0 H LEU A 805 -8.894 -4.813 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.881 -2.648 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.091 -3.474 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -6.931 -4.952 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.312 -5.213 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.866 -4.890 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.733 -3.354 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -3.960 -4.160 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -4.828 -7.004 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -4.954 -6.354 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.395 -7.013 -1.421 1.00 0.00 H new ATOM 466 N HIS A 806 -8.943 -5.300 -3.373 1.00 0.00 N ATOM 467 CA HIS A 806 -9.310 -5.757 -4.708 1.00 0.00 C ATOM 468 C HIS A 806 -10.422 -4.886 -5.278 1.00 0.00 C ATOM 469 O HIS A 806 -10.426 -4.577 -6.465 1.00 0.00 O ATOM 470 CB HIS A 806 -9.747 -7.224 -4.703 1.00 0.00 C ATOM 471 CG HIS A 806 -9.678 -7.865 -6.061 1.00 0.00 C ATOM 472 ND1 HIS A 806 -10.377 -9.004 -6.398 1.00 0.00 N ATOM 473 CD2 HIS A 806 -8.985 -7.513 -7.172 1.00 0.00 C ATOM 474 CE1 HIS A 806 -10.116 -9.326 -7.653 1.00 0.00 C ATOM 475 NE2 HIS A 806 -9.276 -8.437 -8.144 1.00 0.00 N ATOM 0 H HIS A 806 -9.297 -5.876 -2.610 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.425 -5.672 -5.339 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -9.116 -7.782 -4.012 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -10.768 -7.291 -4.328 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -8.326 -6.663 -7.273 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -10.522 -10.173 -8.186 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -8.903 -8.436 -9.093 1.00 0.00 H new ATOM 484 N ALA A 807 -11.350 -4.485 -4.417 1.00 0.00 N ATOM 485 CA ALA A 807 -12.468 -3.642 -4.828 1.00 0.00 C ATOM 486 C ALA A 807 -11.985 -2.284 -5.327 1.00 0.00 C ATOM 487 O ALA A 807 -12.542 -1.729 -6.274 1.00 0.00 O ATOM 488 CB ALA A 807 -13.452 -3.466 -3.682 1.00 0.00 C ATOM 0 H ALA A 807 -11.351 -4.731 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.976 -4.141 -5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.279 -2.835 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.836 -4.440 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.947 -2.997 -2.838 1.00 0.00 H new ATOM 494 N SER A 808 -10.947 -1.753 -4.690 1.00 0.00 N ATOM 495 CA SER A 808 -10.364 -0.491 -5.120 1.00 0.00 C ATOM 496 C SER A 808 -9.636 -0.677 -6.450 1.00 0.00 C ATOM 497 O SER A 808 -9.598 0.227 -7.285 1.00 0.00 O ATOM 498 CB SER A 808 -9.402 0.040 -4.057 1.00 0.00 C ATOM 499 OG SER A 808 -8.931 -1.009 -3.230 1.00 0.00 O ATOM 0 H SER A 808 -10.495 -2.175 -3.879 1.00 0.00 H new ATOM 0 HA SER A 808 -11.164 0.237 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.559 0.535 -4.539 1.00 0.00 H new ATOM 0 HB3 SER A 808 -9.906 0.790 -3.448 1.00 0.00 H new ATOM 0 HG SER A 808 -9.611 -1.226 -2.558 1.00 0.00 H new ATOM 505 N GLY A 809 -9.065 -1.862 -6.635 1.00 0.00 N ATOM 506 CA GLY A 809 -8.398 -2.184 -7.880 1.00 0.00 C ATOM 507 C GLY A 809 -6.890 -2.114 -7.769 1.00 0.00 C ATOM 508 O GLY A 809 -6.187 -2.221 -8.769 1.00 0.00 O ATOM 0 H GLY A 809 -9.053 -2.608 -5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.689 -3.186 -8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.734 -1.496 -8.656 1.00 0.00 H new ATOM 512 N TYR A 810 -6.382 -1.953 -6.554 1.00 0.00 N ATOM 513 CA TYR A 810 -4.944 -1.823 -6.356 1.00 0.00 C ATOM 514 C TYR A 810 -4.319 -3.162 -5.980 1.00 0.00 C ATOM 515 O TYR A 810 -3.163 -3.234 -5.557 1.00 0.00 O ATOM 516 CB TYR A 810 -4.642 -0.755 -5.305 1.00 0.00 C ATOM 517 CG TYR A 810 -4.576 0.634 -5.894 1.00 0.00 C ATOM 518 CD1 TYR A 810 -5.733 1.376 -6.095 1.00 0.00 C ATOM 519 CD2 TYR A 810 -3.362 1.195 -6.272 1.00 0.00 C ATOM 520 CE1 TYR A 810 -5.683 2.639 -6.654 1.00 0.00 C ATOM 521 CE2 TYR A 810 -3.303 2.460 -6.828 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.467 3.177 -7.020 1.00 0.00 C ATOM 523 OH TYR A 810 -4.415 4.435 -7.581 1.00 0.00 O ATOM 0 H TYR A 810 -6.937 -1.910 -5.699 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.497 -1.506 -7.298 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.411 -0.782 -4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -3.694 -0.986 -4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -6.688 0.959 -5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -2.450 0.634 -6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -6.592 3.202 -6.804 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -2.351 2.885 -7.111 1.00 0.00 H new ATOM 0 HH TYR A 810 -3.484 4.666 -7.780 1.00 0.00 H new ATOM 533 N TYR A 811 -5.098 -4.221 -6.161 1.00 0.00 N ATOM 534 CA TYR A 811 -4.623 -5.589 -5.973 1.00 0.00 C ATOM 535 C TYR A 811 -3.476 -5.873 -6.941 1.00 0.00 C ATOM 536 O TYR A 811 -2.569 -6.650 -6.643 1.00 0.00 O ATOM 537 CB TYR A 811 -5.780 -6.559 -6.227 1.00 0.00 C ATOM 538 CG TYR A 811 -5.675 -7.896 -5.521 1.00 0.00 C ATOM 539 CD1 TYR A 811 -4.825 -8.889 -5.986 1.00 0.00 C ATOM 540 CD2 TYR A 811 -6.458 -8.173 -4.407 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.754 -10.119 -5.360 1.00 0.00 C ATOM 542 CE2 TYR A 811 -6.399 -9.403 -3.781 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.544 -10.371 -4.260 1.00 0.00 C ATOM 544 OH TYR A 811 -5.492 -11.602 -3.649 1.00 0.00 O ATOM 0 H TYR A 811 -6.076 -4.158 -6.442 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.260 -5.718 -4.953 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.709 -6.078 -5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.852 -6.738 -7.300 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -4.208 -8.698 -6.852 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -7.124 -7.414 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -4.082 -10.879 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -7.020 -9.605 -2.921 1.00 0.00 H new ATOM 0 HH TYR A 811 -5.559 -11.488 -2.678 1.00 0.00 H new ATOM 554 N ALA A 812 -3.527 -5.219 -8.097 1.00 0.00 N ATOM 555 CA ALA A 812 -2.501 -5.362 -9.121 1.00 0.00 C ATOM 556 C ALA A 812 -1.125 -4.974 -8.588 1.00 0.00 C ATOM 557 O ALA A 812 -0.158 -5.714 -8.751 1.00 0.00 O ATOM 558 CB ALA A 812 -2.859 -4.520 -10.335 1.00 0.00 C ATOM 0 H ALA A 812 -4.279 -4.577 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.457 -6.411 -9.415 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -2.087 -4.632 -11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.816 -4.851 -10.738 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.931 -3.472 -10.043 1.00 0.00 H new ATOM 564 N LEU A 813 -1.044 -3.820 -7.932 1.00 0.00 N ATOM 565 CA LEU A 813 0.217 -3.353 -7.365 1.00 0.00 C ATOM 566 C LEU A 813 0.648 -4.262 -6.222 1.00 0.00 C ATOM 567 O LEU A 813 1.843 -4.485 -5.999 1.00 0.00 O ATOM 568 CB LEU A 813 0.080 -1.913 -6.863 1.00 0.00 C ATOM 569 CG LEU A 813 0.843 -0.864 -7.677 1.00 0.00 C ATOM 570 CD1 LEU A 813 0.587 0.534 -7.131 1.00 0.00 C ATOM 571 CD2 LEU A 813 2.331 -1.174 -7.680 1.00 0.00 C ATOM 0 H LEU A 813 -1.834 -3.193 -7.780 1.00 0.00 H new ATOM 0 HA LEU A 813 0.976 -3.380 -8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -0.977 -1.646 -6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 813 0.426 -1.871 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 813 0.481 -0.898 -8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 813 1.139 1.263 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -0.479 0.756 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 813 0.918 0.586 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 813 2.859 -0.419 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 813 2.706 -1.170 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 813 2.497 -2.156 -8.123 1.00 0.00 H new ATOM 583 N PHE A 814 -0.343 -4.795 -5.518 1.00 0.00 N ATOM 584 CA PHE A 814 -0.116 -5.688 -4.390 1.00 0.00 C ATOM 585 C PHE A 814 0.628 -6.951 -4.829 1.00 0.00 C ATOM 586 O PHE A 814 1.537 -7.417 -4.146 1.00 0.00 O ATOM 587 CB PHE A 814 -1.459 -6.058 -3.754 1.00 0.00 C ATOM 588 CG PHE A 814 -1.348 -6.900 -2.517 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.445 -6.575 -1.520 1.00 0.00 C ATOM 590 CD2 PHE A 814 -2.156 -8.011 -2.352 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.346 -7.350 -0.383 1.00 0.00 C ATOM 592 CE2 PHE A 814 -2.060 -8.790 -1.218 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.155 -8.457 -0.230 1.00 0.00 C ATOM 0 H PHE A 814 -1.328 -4.619 -5.714 1.00 0.00 H new ATOM 0 HA PHE A 814 0.504 -5.173 -3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -1.995 -5.142 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -2.061 -6.592 -4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 814 0.188 -5.707 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.870 -8.271 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 814 0.365 -7.090 0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.691 -9.659 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.080 -9.062 0.661 1.00 0.00 H new ATOM 603 N VAL A 815 0.249 -7.497 -5.975 1.00 0.00 N ATOM 604 CA VAL A 815 0.868 -8.724 -6.467 1.00 0.00 C ATOM 605 C VAL A 815 2.029 -8.428 -7.411 1.00 0.00 C ATOM 606 O VAL A 815 2.692 -9.341 -7.900 1.00 0.00 O ATOM 607 CB VAL A 815 -0.153 -9.634 -7.188 1.00 0.00 C ATOM 608 CG1 VAL A 815 -1.291 -10.004 -6.259 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.692 -8.965 -8.442 1.00 0.00 C ATOM 0 H VAL A 815 -0.478 -7.115 -6.580 1.00 0.00 H new ATOM 0 HA VAL A 815 1.247 -9.247 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 815 0.365 -10.546 -7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.998 -10.644 -6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.896 -10.536 -5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.799 -9.098 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -1.408 -9.627 -8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -1.186 -8.032 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.131 -8.755 -9.125 1.00 0.00 H new ATOM 619 N ASP A 816 2.281 -7.152 -7.648 1.00 0.00 N ATOM 620 CA ASP A 816 3.308 -6.751 -8.599 1.00 0.00 C ATOM 621 C ASP A 816 4.639 -6.478 -7.912 1.00 0.00 C ATOM 622 O ASP A 816 5.614 -7.203 -8.114 1.00 0.00 O ATOM 623 CB ASP A 816 2.868 -5.508 -9.371 1.00 0.00 C ATOM 624 CG ASP A 816 3.800 -5.179 -10.517 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.778 -4.437 -10.298 1.00 0.00 O ATOM 626 OD2 ASP A 816 3.559 -5.665 -11.644 1.00 0.00 O ATOM 0 H ASP A 816 1.792 -6.378 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 816 3.446 -7.581 -9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 816 1.861 -5.662 -9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 816 2.821 -4.659 -8.690 1.00 0.00 H new ATOM 631 N THR A 817 4.679 -5.438 -7.091 1.00 0.00 N ATOM 632 CA THR A 817 5.939 -4.973 -6.532 1.00 0.00 C ATOM 633 C THR A 817 6.126 -5.403 -5.078 1.00 0.00 C ATOM 634 O THR A 817 7.249 -5.412 -4.579 1.00 0.00 O ATOM 635 CB THR A 817 6.061 -3.434 -6.648 1.00 0.00 C ATOM 636 OG1 THR A 817 7.440 -3.045 -6.640 1.00 0.00 O ATOM 637 CG2 THR A 817 5.323 -2.721 -5.518 1.00 0.00 C ATOM 0 H THR A 817 3.860 -4.904 -6.799 1.00 0.00 H new ATOM 0 HA THR A 817 6.730 -5.441 -7.118 1.00 0.00 H new ATOM 0 HB THR A 817 5.601 -3.140 -7.592 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.505 -2.070 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 817 5.433 -1.643 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 817 4.266 -2.984 -5.551 1.00 0.00 H new ATOM 0 HG23 THR A 817 5.743 -3.026 -4.560 1.00 0.00 H new ATOM 645 N VAL A 818 5.043 -5.778 -4.406 1.00 0.00 N ATOM 646 CA VAL A 818 5.123 -6.100 -2.984 1.00 0.00 C ATOM 647 C VAL A 818 5.976 -7.352 -2.730 1.00 0.00 C ATOM 648 O VAL A 818 6.953 -7.281 -1.989 1.00 0.00 O ATOM 649 CB VAL A 818 3.727 -6.257 -2.342 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.854 -6.636 -0.874 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.926 -4.970 -2.494 1.00 0.00 C ATOM 0 H VAL A 818 4.112 -5.866 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 818 5.614 -5.252 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 818 3.197 -7.058 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.860 -6.742 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.391 -7.580 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.401 -5.857 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.945 -5.096 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.453 -4.153 -2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.806 -4.739 -3.552 1.00 0.00 H new ATOM 661 N PRO A 819 5.649 -8.512 -3.341 1.00 0.00 N ATOM 662 CA PRO A 819 6.443 -9.736 -3.158 1.00 0.00 C ATOM 663 C PRO A 819 7.877 -9.574 -3.660 1.00 0.00 C ATOM 664 O PRO A 819 8.795 -10.244 -3.185 1.00 0.00 O ATOM 665 CB PRO A 819 5.697 -10.790 -3.985 1.00 0.00 C ATOM 666 CG PRO A 819 4.854 -10.015 -4.938 1.00 0.00 C ATOM 667 CD PRO A 819 4.497 -8.739 -4.234 1.00 0.00 C ATOM 0 HA PRO A 819 6.536 -10.002 -2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.393 -11.440 -4.514 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.085 -11.429 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 819 5.396 -9.812 -5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.959 -10.574 -5.210 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.363 -7.916 -4.936 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.567 -8.835 -3.674 1.00 0.00 H new ATOM 675 N ASP A 820 8.073 -8.674 -4.611 1.00 0.00 N ATOM 676 CA ASP A 820 9.411 -8.396 -5.117 1.00 0.00 C ATOM 677 C ASP A 820 10.217 -7.657 -4.063 1.00 0.00 C ATOM 678 O ASP A 820 11.426 -7.843 -3.943 1.00 0.00 O ATOM 679 CB ASP A 820 9.350 -7.568 -6.398 1.00 0.00 C ATOM 680 CG ASP A 820 10.166 -8.182 -7.515 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.405 -8.284 -7.374 1.00 0.00 O ATOM 682 OD2 ASP A 820 9.567 -8.576 -8.540 1.00 0.00 O ATOM 0 H ASP A 820 7.330 -8.127 -5.046 1.00 0.00 H new ATOM 0 HA ASP A 820 9.895 -9.345 -5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.312 -7.473 -6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.714 -6.561 -6.195 1.00 0.00 H new ATOM 687 N ASP A 821 9.529 -6.832 -3.288 1.00 0.00 N ATOM 688 CA ASP A 821 10.164 -6.066 -2.227 1.00 0.00 C ATOM 689 C ASP A 821 10.487 -6.960 -1.040 1.00 0.00 C ATOM 690 O ASP A 821 11.501 -6.767 -0.373 1.00 0.00 O ATOM 691 CB ASP A 821 9.276 -4.897 -1.792 1.00 0.00 C ATOM 692 CG ASP A 821 9.608 -3.619 -2.539 1.00 0.00 C ATOM 693 OD1 ASP A 821 9.975 -3.705 -3.733 1.00 0.00 O ATOM 694 OD2 ASP A 821 9.505 -2.526 -1.945 1.00 0.00 O ATOM 0 H ASP A 821 8.525 -6.676 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 821 11.097 -5.659 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.230 -5.154 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.394 -4.732 -0.721 1.00 0.00 H new ATOM 699 N VAL A 822 9.635 -7.951 -0.778 1.00 0.00 N ATOM 700 CA VAL A 822 9.923 -8.919 0.271 1.00 0.00 C ATOM 701 C VAL A 822 11.151 -9.751 -0.112 1.00 0.00 C ATOM 702 O VAL A 822 11.988 -10.065 0.731 1.00 0.00 O ATOM 703 CB VAL A 822 8.705 -9.833 0.594 1.00 0.00 C ATOM 704 CG1 VAL A 822 7.403 -9.066 0.456 1.00 0.00 C ATOM 705 CG2 VAL A 822 8.671 -11.091 -0.261 1.00 0.00 C ATOM 0 H VAL A 822 8.754 -8.101 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 822 10.137 -8.362 1.183 1.00 0.00 H new ATOM 0 HB VAL A 822 8.823 -10.153 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 822 6.566 -9.725 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 822 7.402 -8.223 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 822 7.304 -8.698 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 822 7.801 -11.690 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 822 8.610 -10.814 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 822 9.578 -11.671 -0.090 1.00 0.00 H new ATOM 715 N LYS A 823 11.268 -10.070 -1.401 1.00 0.00 N ATOM 716 CA LYS A 823 12.433 -10.758 -1.928 1.00 0.00 C ATOM 717 C LYS A 823 13.647 -9.833 -1.869 1.00 0.00 C ATOM 718 O LYS A 823 14.756 -10.264 -1.556 1.00 0.00 O ATOM 719 CB LYS A 823 12.142 -11.210 -3.366 1.00 0.00 C ATOM 720 CG LYS A 823 13.360 -11.260 -4.272 1.00 0.00 C ATOM 721 CD LYS A 823 13.120 -10.511 -5.573 1.00 0.00 C ATOM 722 CE LYS A 823 12.762 -11.456 -6.711 1.00 0.00 C ATOM 723 NZ LYS A 823 12.359 -10.719 -7.939 1.00 0.00 N ATOM 0 H LYS A 823 10.558 -9.857 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 823 12.654 -11.640 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.687 -12.200 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 823 11.407 -10.534 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 823 14.217 -10.828 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 823 13.610 -12.298 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 823 12.316 -9.789 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 823 14.014 -9.946 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 823 13.617 -12.094 -6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 823 11.949 -12.110 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 11.614 -11.250 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 11.999 -9.779 -7.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 13.182 -10.613 -8.566 1.00 0.00 H new ATOM 737 N ARG A 824 13.426 -8.555 -2.158 1.00 0.00 N ATOM 738 CA ARG A 824 14.470 -7.548 -2.028 1.00 0.00 C ATOM 739 C ARG A 824 14.959 -7.496 -0.584 1.00 0.00 C ATOM 740 O ARG A 824 16.160 -7.492 -0.339 1.00 0.00 O ATOM 741 CB ARG A 824 13.948 -6.175 -2.469 1.00 0.00 C ATOM 742 CG ARG A 824 14.944 -5.044 -2.260 1.00 0.00 C ATOM 743 CD ARG A 824 15.458 -4.486 -3.582 1.00 0.00 C ATOM 744 NE ARG A 824 15.578 -5.518 -4.617 1.00 0.00 N ATOM 745 CZ ARG A 824 16.692 -6.216 -4.858 1.00 0.00 C ATOM 746 NH1 ARG A 824 17.787 -6.017 -4.129 1.00 0.00 N ATOM 747 NH2 ARG A 824 16.702 -7.128 -5.823 1.00 0.00 N ATOM 0 H ARG A 824 12.530 -8.192 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 824 15.305 -7.818 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.680 -6.220 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 824 13.035 -5.949 -1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 824 14.471 -4.245 -1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 824 15.784 -5.406 -1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 824 14.783 -3.704 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 824 16.431 -4.020 -3.423 1.00 0.00 H new ATOM 0 HE ARG A 824 14.758 -5.716 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 824 17.781 -5.327 -3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 824 18.632 -6.555 -4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 824 15.862 -7.294 -6.377 1.00 0.00 H new ATOM 0 HH22 ARG A 824 17.550 -7.663 -6.010 1.00 0.00 H new ATOM 761 N LEU A 825 14.020 -7.487 0.360 1.00 0.00 N ATOM 762 CA LEU A 825 14.345 -7.516 1.784 1.00 0.00 C ATOM 763 C LEU A 825 15.267 -8.686 2.097 1.00 0.00 C ATOM 764 O LEU A 825 16.274 -8.525 2.782 1.00 0.00 O ATOM 765 CB LEU A 825 13.070 -7.623 2.625 1.00 0.00 C ATOM 766 CG LEU A 825 12.519 -6.299 3.150 1.00 0.00 C ATOM 767 CD1 LEU A 825 11.010 -6.382 3.304 1.00 0.00 C ATOM 768 CD2 LEU A 825 13.172 -5.934 4.477 1.00 0.00 C ATOM 0 H LEU A 825 13.020 -7.460 0.161 1.00 0.00 H new ATOM 0 HA LEU A 825 14.856 -6.586 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.299 -8.106 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.269 -8.277 3.474 1.00 0.00 H new ATOM 0 HG LEU A 825 12.753 -5.516 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.630 -5.432 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.557 -6.598 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.759 -7.176 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.766 -4.988 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.969 -6.715 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.249 -5.837 4.338 1.00 0.00 H new ATOM 780 N TYR A 826 14.911 -9.860 1.584 1.00 0.00 N ATOM 781 CA TYR A 826 15.747 -11.051 1.710 1.00 0.00 C ATOM 782 C TYR A 826 17.161 -10.767 1.201 1.00 0.00 C ATOM 783 O TYR A 826 18.156 -11.094 1.856 1.00 0.00 O ATOM 784 CB TYR A 826 15.137 -12.206 0.906 1.00 0.00 C ATOM 785 CG TYR A 826 13.936 -12.862 1.552 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.980 -13.322 2.864 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.758 -13.031 0.837 1.00 0.00 C ATOM 788 CE1 TYR A 826 12.878 -13.925 3.442 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.656 -13.632 1.409 1.00 0.00 C ATOM 790 CZ TYR A 826 11.719 -14.079 2.708 1.00 0.00 C ATOM 791 OH TYR A 826 10.620 -14.683 3.274 1.00 0.00 O ATOM 0 H TYR A 826 14.042 -10.013 1.073 1.00 0.00 H new ATOM 0 HA TYR A 826 15.798 -11.328 2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.846 -11.833 -0.076 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.904 -12.963 0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.887 -13.207 3.439 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.703 -12.686 -0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 826 12.924 -14.274 4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.747 -13.751 0.839 1.00 0.00 H new ATOM 0 HH TYR A 826 9.884 -14.696 2.627 1.00 0.00 H new ATOM 801 N THR A 827 17.228 -10.126 0.043 1.00 0.00 N ATOM 802 CA THR A 827 18.493 -9.834 -0.613 1.00 0.00 C ATOM 803 C THR A 827 19.357 -8.884 0.213 1.00 0.00 C ATOM 804 O THR A 827 20.546 -9.136 0.419 1.00 0.00 O ATOM 805 CB THR A 827 18.249 -9.209 -1.999 1.00 0.00 C ATOM 806 OG1 THR A 827 17.140 -9.856 -2.640 1.00 0.00 O ATOM 807 CG2 THR A 827 19.482 -9.318 -2.878 1.00 0.00 C ATOM 0 H THR A 827 16.409 -9.795 -0.467 1.00 0.00 H new ATOM 0 HA THR A 827 19.022 -10.781 -0.718 1.00 0.00 H new ATOM 0 HB THR A 827 18.024 -8.152 -1.856 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.313 -9.636 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.277 -8.868 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.314 -8.797 -2.404 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.741 -10.368 -3.012 1.00 0.00 H new ATOM 815 N GLU A 828 18.750 -7.812 0.712 1.00 0.00 N ATOM 816 CA GLU A 828 19.484 -6.811 1.479 1.00 0.00 C ATOM 817 C GLU A 828 19.849 -7.352 2.858 1.00 0.00 C ATOM 818 O GLU A 828 20.880 -6.983 3.425 1.00 0.00 O ATOM 819 CB GLU A 828 18.672 -5.518 1.619 1.00 0.00 C ATOM 820 CG GLU A 828 17.866 -5.152 0.382 1.00 0.00 C ATOM 821 CD GLU A 828 18.728 -4.718 -0.788 1.00 0.00 C ATOM 822 OE1 GLU A 828 19.951 -4.549 -0.608 1.00 0.00 O ATOM 823 OE2 GLU A 828 18.185 -4.546 -1.900 1.00 0.00 O ATOM 0 H GLU A 828 17.756 -7.614 0.600 1.00 0.00 H new ATOM 0 HA GLU A 828 20.401 -6.583 0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.992 -5.619 2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.352 -4.698 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.264 -6.010 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 828 17.174 -4.348 0.632 1.00 0.00 H new ATOM 830 N ALA A 829 19.006 -8.233 3.388 1.00 0.00 N ATOM 831 CA ALA A 829 19.254 -8.848 4.685 1.00 0.00 C ATOM 832 C ALA A 829 20.499 -9.722 4.635 1.00 0.00 C ATOM 833 O ALA A 829 21.302 -9.731 5.567 1.00 0.00 O ATOM 834 CB ALA A 829 18.050 -9.668 5.124 1.00 0.00 C ATOM 0 H ALA A 829 18.143 -8.537 2.937 1.00 0.00 H new ATOM 0 HA ALA A 829 19.419 -8.054 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 829 18.252 -10.120 6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 829 17.177 -9.020 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.857 -10.452 4.392 1.00 0.00 H new ATOM 840 N ALA A 830 20.662 -10.441 3.527 1.00 0.00 N ATOM 841 CA ALA A 830 21.821 -11.311 3.335 1.00 0.00 C ATOM 842 C ALA A 830 23.124 -10.517 3.375 1.00 0.00 C ATOM 843 O ALA A 830 24.136 -10.987 3.895 1.00 0.00 O ATOM 844 CB ALA A 830 21.699 -12.071 2.024 1.00 0.00 C ATOM 0 H ALA A 830 20.005 -10.439 2.747 1.00 0.00 H new ATOM 0 HA ALA A 830 21.844 -12.028 4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.569 -12.715 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.796 -12.681 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.645 -11.363 1.197 1.00 0.00 H new ATOM 850 N THR A 831 23.090 -9.307 2.832 1.00 0.00 N ATOM 851 CA THR A 831 24.264 -8.445 2.805 1.00 0.00 C ATOM 852 C THR A 831 24.328 -7.547 4.042 1.00 0.00 C ATOM 853 O THR A 831 25.162 -6.641 4.118 1.00 0.00 O ATOM 854 CB THR A 831 24.264 -7.572 1.537 1.00 0.00 C ATOM 855 OG1 THR A 831 23.332 -8.105 0.586 1.00 0.00 O ATOM 856 CG2 THR A 831 25.649 -7.515 0.915 1.00 0.00 C ATOM 0 H THR A 831 22.259 -8.899 2.403 1.00 0.00 H new ATOM 0 HA THR A 831 25.142 -9.091 2.801 1.00 0.00 H new ATOM 0 HB THR A 831 23.970 -6.560 1.816 1.00 0.00 H new ATOM 0 HG1 THR A 831 23.332 -7.547 -0.220 1.00 0.00 H new ATOM 0 HG21 THR A 831 25.621 -6.892 0.021 1.00 0.00 H new ATOM 0 HG22 THR A 831 26.352 -7.090 1.631 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.969 -8.522 0.646 1.00 0.00 H new ATOM 864 N SER A 832 23.442 -7.814 5.009 1.00 0.00 N ATOM 865 CA SER A 832 23.364 -7.068 6.270 1.00 0.00 C ATOM 866 C SER A 832 23.240 -5.569 6.012 1.00 0.00 C ATOM 867 O SER A 832 23.767 -4.746 6.760 1.00 0.00 O ATOM 868 CB SER A 832 24.555 -7.372 7.205 1.00 0.00 C ATOM 869 OG SER A 832 25.740 -7.686 6.490 1.00 0.00 O ATOM 0 H SER A 832 22.752 -8.562 4.937 1.00 0.00 H new ATOM 0 HA SER A 832 22.463 -7.404 6.783 1.00 0.00 H new ATOM 0 HB2 SER A 832 24.739 -6.510 7.846 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.297 -8.206 7.858 1.00 0.00 H new ATOM 0 HG SER A 832 25.855 -7.051 5.753 1.00 0.00 H new ATOM 875 N ASP A 833 22.527 -5.226 4.948 1.00 0.00 N ATOM 876 CA ASP A 833 22.290 -3.835 4.603 1.00 0.00 C ATOM 877 C ASP A 833 21.035 -3.348 5.305 1.00 0.00 C ATOM 878 O ASP A 833 19.986 -3.165 4.688 1.00 0.00 O ATOM 879 CB ASP A 833 22.158 -3.666 3.088 1.00 0.00 C ATOM 880 CG ASP A 833 22.524 -2.267 2.623 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.281 -1.296 3.374 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.057 -2.131 1.498 1.00 0.00 O ATOM 0 H ASP A 833 22.102 -5.897 4.308 1.00 0.00 H new ATOM 0 HA ASP A 833 23.140 -3.238 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.800 -4.391 2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.134 -3.888 2.789 1.00 0.00 H new ATOM 887 N PHE A 834 21.149 -3.177 6.612 1.00 0.00 N ATOM 888 CA PHE A 834 20.030 -2.727 7.435 1.00 0.00 C ATOM 889 C PHE A 834 19.541 -1.346 7.010 1.00 0.00 C ATOM 890 O PHE A 834 18.368 -1.022 7.181 1.00 0.00 O ATOM 891 CB PHE A 834 20.411 -2.724 8.920 1.00 0.00 C ATOM 892 CG PHE A 834 20.705 -4.091 9.471 1.00 0.00 C ATOM 893 CD1 PHE A 834 19.692 -4.869 10.007 1.00 0.00 C ATOM 894 CD2 PHE A 834 21.993 -4.596 9.453 1.00 0.00 C ATOM 895 CE1 PHE A 834 19.961 -6.128 10.510 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.269 -5.851 9.955 1.00 0.00 C ATOM 897 CZ PHE A 834 21.253 -6.619 10.485 1.00 0.00 C ATOM 0 H PHE A 834 22.010 -3.344 7.132 1.00 0.00 H new ATOM 0 HA PHE A 834 19.212 -3.432 7.286 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.286 -2.090 9.060 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.599 -2.278 9.494 1.00 0.00 H new ATOM 0 HD1 PHE A 834 18.682 -4.488 10.032 1.00 0.00 H new ATOM 0 HD2 PHE A 834 22.793 -4.000 9.040 1.00 0.00 H new ATOM 0 HE1 PHE A 834 19.163 -6.727 10.922 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.279 -6.232 9.933 1.00 0.00 H new ATOM 0 HZ PHE A 834 21.466 -7.601 10.879 1.00 0.00 H new ATOM 907 N ALA A 835 20.435 -0.537 6.450 1.00 0.00 N ATOM 908 CA ALA A 835 20.049 0.755 5.899 1.00 0.00 C ATOM 909 C ALA A 835 19.057 0.558 4.758 1.00 0.00 C ATOM 910 O ALA A 835 18.057 1.276 4.648 1.00 0.00 O ATOM 911 CB ALA A 835 21.276 1.515 5.423 1.00 0.00 C ATOM 0 H ALA A 835 21.428 -0.753 6.366 1.00 0.00 H new ATOM 0 HA ALA A 835 19.567 1.344 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 835 20.971 2.478 5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 835 21.953 1.675 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.785 0.938 4.651 1.00 0.00 H new ATOM 917 N ALA A 836 19.318 -0.450 3.934 1.00 0.00 N ATOM 918 CA ALA A 836 18.442 -0.766 2.817 1.00 0.00 C ATOM 919 C ALA A 836 17.195 -1.465 3.327 1.00 0.00 C ATOM 920 O ALA A 836 16.103 -1.280 2.793 1.00 0.00 O ATOM 921 CB ALA A 836 19.156 -1.631 1.790 1.00 0.00 C ATOM 0 H ALA A 836 20.130 -1.061 4.020 1.00 0.00 H new ATOM 0 HA ALA A 836 18.155 0.164 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.478 -1.852 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.028 -1.099 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.475 -2.563 2.257 1.00 0.00 H new ATOM 927 N LEU A 837 17.372 -2.269 4.368 1.00 0.00 N ATOM 928 CA LEU A 837 16.259 -2.916 5.044 1.00 0.00 C ATOM 929 C LEU A 837 15.268 -1.872 5.537 1.00 0.00 C ATOM 930 O LEU A 837 14.063 -2.002 5.331 1.00 0.00 O ATOM 931 CB LEU A 837 16.770 -3.746 6.223 1.00 0.00 C ATOM 932 CG LEU A 837 16.522 -5.250 6.125 1.00 0.00 C ATOM 933 CD1 LEU A 837 16.950 -5.780 4.766 1.00 0.00 C ATOM 934 CD2 LEU A 837 17.255 -5.982 7.238 1.00 0.00 C ATOM 0 H LEU A 837 18.286 -2.489 4.764 1.00 0.00 H new ATOM 0 HA LEU A 837 15.756 -3.576 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.842 -3.578 6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.301 -3.377 7.135 1.00 0.00 H new ATOM 0 HG LEU A 837 15.453 -5.429 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 837 16.764 -6.853 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 837 16.380 -5.278 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 837 18.013 -5.589 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 837 17.068 -7.053 7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.325 -5.793 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 837 16.898 -5.626 8.204 1.00 0.00 H new ATOM 946 N ALA A 838 15.790 -0.832 6.176 1.00 0.00 N ATOM 947 CA ALA A 838 14.971 0.268 6.658 1.00 0.00 C ATOM 948 C ALA A 838 14.253 0.961 5.506 1.00 0.00 C ATOM 949 O ALA A 838 13.069 1.274 5.606 1.00 0.00 O ATOM 950 CB ALA A 838 15.823 1.260 7.436 1.00 0.00 C ATOM 0 H ALA A 838 16.786 -0.729 6.372 1.00 0.00 H new ATOM 0 HA ALA A 838 14.213 -0.139 7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.196 2.078 7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.280 0.757 8.288 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.604 1.656 6.787 1.00 0.00 H new ATOM 956 N GLN A 839 14.972 1.200 4.411 1.00 0.00 N ATOM 957 CA GLN A 839 14.380 1.810 3.230 1.00 0.00 C ATOM 958 C GLN A 839 13.270 0.939 2.652 1.00 0.00 C ATOM 959 O GLN A 839 12.181 1.428 2.352 1.00 0.00 O ATOM 960 CB GLN A 839 15.449 2.059 2.170 1.00 0.00 C ATOM 961 CG GLN A 839 16.123 3.412 2.298 1.00 0.00 C ATOM 962 CD GLN A 839 15.175 4.501 2.773 1.00 0.00 C ATOM 963 OE1 GLN A 839 14.120 4.738 2.175 1.00 0.00 O ATOM 964 NE2 GLN A 839 15.551 5.177 3.845 1.00 0.00 N ATOM 0 H GLN A 839 15.964 0.980 4.320 1.00 0.00 H new ATOM 0 HA GLN A 839 13.943 2.762 3.532 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.205 1.277 2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 839 14.995 1.980 1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 839 16.957 3.333 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 839 16.541 3.697 1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 839 16.430 4.949 4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 839 14.962 5.926 4.208 1.00 0.00 H new ATOM 973 N THR A 840 13.545 -0.350 2.504 1.00 0.00 N ATOM 974 CA THR A 840 12.561 -1.281 1.969 1.00 0.00 C ATOM 975 C THR A 840 11.350 -1.384 2.898 1.00 0.00 C ATOM 976 O THR A 840 10.209 -1.422 2.439 1.00 0.00 O ATOM 977 CB THR A 840 13.173 -2.680 1.740 1.00 0.00 C ATOM 978 OG1 THR A 840 14.469 -2.554 1.136 1.00 0.00 O ATOM 979 CG2 THR A 840 12.282 -3.528 0.843 1.00 0.00 C ATOM 0 H THR A 840 14.440 -0.774 2.747 1.00 0.00 H new ATOM 0 HA THR A 840 12.234 -0.891 1.005 1.00 0.00 H new ATOM 0 HB THR A 840 13.262 -3.171 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.136 -2.368 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.738 -4.508 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.304 -3.648 1.310 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.165 -3.037 -0.123 1.00 0.00 H new ATOM 987 N ALA A 841 11.601 -1.399 4.206 1.00 0.00 N ATOM 988 CA ALA A 841 10.523 -1.408 5.190 1.00 0.00 C ATOM 989 C ALA A 841 9.702 -0.126 5.085 1.00 0.00 C ATOM 990 O ALA A 841 8.482 -0.145 5.224 1.00 0.00 O ATOM 991 CB ALA A 841 11.082 -1.568 6.597 1.00 0.00 C ATOM 0 H ALA A 841 12.539 -1.405 4.607 1.00 0.00 H new ATOM 0 HA ALA A 841 9.872 -2.257 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.263 -1.572 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.630 -2.508 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.754 -0.739 6.818 1.00 0.00 H new ATOM 997 N HIS A 842 10.388 0.978 4.824 1.00 0.00 N ATOM 998 CA HIS A 842 9.739 2.270 4.625 1.00 0.00 C ATOM 999 C HIS A 842 8.881 2.240 3.361 1.00 0.00 C ATOM 1000 O HIS A 842 7.761 2.753 3.347 1.00 0.00 O ATOM 1001 CB HIS A 842 10.809 3.376 4.551 1.00 0.00 C ATOM 1002 CG HIS A 842 10.340 4.684 3.984 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.996 5.333 2.961 1.00 0.00 N ATOM 1004 CD2 HIS A 842 9.279 5.463 4.300 1.00 0.00 C ATOM 1005 CE1 HIS A 842 10.356 6.451 2.673 1.00 0.00 C ATOM 1006 NE2 HIS A 842 9.310 6.553 3.469 1.00 0.00 N ATOM 0 H HIS A 842 11.404 1.006 4.744 1.00 0.00 H new ATOM 0 HA HIS A 842 9.081 2.483 5.467 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.197 3.552 5.555 1.00 0.00 H new ATOM 0 HB3 HIS A 842 11.641 3.014 3.947 1.00 0.00 H new ATOM 0 HD1 HIS A 842 11.843 5.002 2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 842 8.544 5.263 5.065 1.00 0.00 H new ATOM 0 HE1 HIS A 842 10.641 7.163 1.913 1.00 0.00 H new ATOM 1015 N ARG A 843 9.408 1.634 2.305 1.00 0.00 N ATOM 1016 CA ARG A 843 8.669 1.493 1.055 1.00 0.00 C ATOM 1017 C ARG A 843 7.445 0.605 1.263 1.00 0.00 C ATOM 1018 O ARG A 843 6.348 0.928 0.806 1.00 0.00 O ATOM 1019 CB ARG A 843 9.567 0.908 -0.037 1.00 0.00 C ATOM 1020 CG ARG A 843 8.994 1.048 -1.439 1.00 0.00 C ATOM 1021 CD ARG A 843 10.084 0.984 -2.498 1.00 0.00 C ATOM 1022 NE ARG A 843 10.037 -0.262 -3.254 1.00 0.00 N ATOM 1023 CZ ARG A 843 10.197 -0.348 -4.572 1.00 0.00 C ATOM 1024 NH1 ARG A 843 10.437 0.738 -5.299 1.00 0.00 N ATOM 1025 NH2 ARG A 843 10.134 -1.530 -5.165 1.00 0.00 N ATOM 0 H ARG A 843 10.345 1.232 2.288 1.00 0.00 H new ATOM 0 HA ARG A 843 8.337 2.481 0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.538 1.402 0.000 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.738 -0.148 0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.267 0.256 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 843 8.460 1.995 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.976 1.827 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 843 11.059 1.082 -2.021 1.00 0.00 H new ATOM 0 HE ARG A 843 9.870 -1.126 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 843 10.500 1.650 -4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 843 10.558 0.659 -6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 843 9.963 -2.370 -4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 843 10.256 -1.601 -6.175 1.00 0.00 H new ATOM 1039 N LEU A 844 7.638 -0.496 1.980 1.00 0.00 N ATOM 1040 CA LEU A 844 6.557 -1.432 2.266 1.00 0.00 C ATOM 1041 C LEU A 844 5.510 -0.785 3.168 1.00 0.00 C ATOM 1042 O LEU A 844 4.310 -0.996 2.996 1.00 0.00 O ATOM 1043 CB LEU A 844 7.105 -2.700 2.926 1.00 0.00 C ATOM 1044 CG LEU A 844 7.534 -3.813 1.963 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.638 -5.137 2.698 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.558 -3.931 0.803 1.00 0.00 C ATOM 0 H LEU A 844 8.539 -0.764 2.376 1.00 0.00 H new ATOM 0 HA LEU A 844 6.085 -1.704 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 844 7.961 -2.427 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.343 -3.098 3.597 1.00 0.00 H new ATOM 0 HG LEU A 844 8.514 -3.556 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.943 -5.917 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.376 -5.053 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.669 -5.392 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.883 -4.727 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.564 -4.162 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 844 6.526 -2.988 0.257 1.00 0.00 H new ATOM 1058 N LYS A 845 5.974 -0.001 4.132 1.00 0.00 N ATOM 1059 CA LYS A 845 5.085 0.758 4.998 1.00 0.00 C ATOM 1060 C LYS A 845 4.218 1.691 4.159 1.00 0.00 C ATOM 1061 O LYS A 845 3.005 1.774 4.353 1.00 0.00 O ATOM 1062 CB LYS A 845 5.907 1.551 6.029 1.00 0.00 C ATOM 1063 CG LYS A 845 5.196 2.766 6.611 1.00 0.00 C ATOM 1064 CD LYS A 845 6.148 3.642 7.414 1.00 0.00 C ATOM 1065 CE LYS A 845 6.413 3.066 8.797 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.169 4.010 9.664 1.00 0.00 N ATOM 0 H LYS A 845 6.966 0.125 4.334 1.00 0.00 H new ATOM 0 HA LYS A 845 4.431 0.072 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 845 6.183 0.883 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.834 1.880 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 845 4.755 3.351 5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.377 2.437 7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 845 7.090 3.744 6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 845 5.727 4.643 7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 845 5.464 2.818 9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 845 6.973 2.136 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 8.142 3.665 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 7.188 4.950 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 6.705 4.076 10.593 1.00 0.00 H new ATOM 1080 N GLY A 846 4.849 2.355 3.199 1.00 0.00 N ATOM 1081 CA GLY A 846 4.144 3.287 2.342 1.00 0.00 C ATOM 1082 C GLY A 846 3.145 2.609 1.424 1.00 0.00 C ATOM 1083 O GLY A 846 2.005 3.058 1.312 1.00 0.00 O ATOM 0 H GLY A 846 5.845 2.263 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.623 4.018 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.867 3.837 1.740 1.00 0.00 H new ATOM 1087 N VAL A 847 3.555 1.521 0.775 1.00 0.00 N ATOM 1088 CA VAL A 847 2.684 0.842 -0.180 1.00 0.00 C ATOM 1089 C VAL A 847 1.490 0.195 0.514 1.00 0.00 C ATOM 1090 O VAL A 847 0.375 0.247 0.003 1.00 0.00 O ATOM 1091 CB VAL A 847 3.432 -0.215 -1.030 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.455 0.456 -1.931 1.00 0.00 C ATOM 1093 CG2 VAL A 847 4.096 -1.274 -0.161 1.00 0.00 C ATOM 0 H VAL A 847 4.474 1.095 0.891 1.00 0.00 H new ATOM 0 HA VAL A 847 2.326 1.617 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 847 2.693 -0.720 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.972 -0.301 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.950 1.154 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 847 5.179 0.996 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.610 -1.996 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.817 -0.799 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.338 -1.786 0.431 1.00 0.00 H new ATOM 1103 N PHE A 848 1.708 -0.388 1.690 1.00 0.00 N ATOM 1104 CA PHE A 848 0.624 -1.026 2.423 1.00 0.00 C ATOM 1105 C PHE A 848 -0.347 0.029 2.941 1.00 0.00 C ATOM 1106 O PHE A 848 -1.564 -0.144 2.868 1.00 0.00 O ATOM 1107 CB PHE A 848 1.171 -1.883 3.570 1.00 0.00 C ATOM 1108 CG PHE A 848 1.588 -3.267 3.136 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.846 -3.966 2.197 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.719 -3.870 3.665 1.00 0.00 C ATOM 1111 CE1 PHE A 848 1.222 -5.233 1.792 1.00 0.00 C ATOM 1112 CE2 PHE A 848 3.102 -5.140 3.263 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.350 -5.823 2.326 1.00 0.00 C ATOM 0 H PHE A 848 2.617 -0.431 2.150 1.00 0.00 H new ATOM 0 HA PHE A 848 0.085 -1.688 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.027 -1.377 4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.410 -1.967 4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.040 -3.514 1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.309 -3.343 4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.633 -5.762 1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 848 3.987 -5.595 3.682 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.644 -6.814 2.013 1.00 0.00 H new ATOM 1123 N ALA A 849 0.192 1.141 3.430 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.637 2.261 3.861 1.00 0.00 C ATOM 1125 C ALA A 849 -1.443 2.807 2.686 1.00 0.00 C ATOM 1126 O ALA A 849 -2.610 3.173 2.834 1.00 0.00 O ATOM 1127 CB ALA A 849 0.226 3.356 4.468 1.00 0.00 C ATOM 0 H ALA A 849 1.195 1.291 3.538 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.332 1.907 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.407 4.185 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.763 2.960 5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.941 3.709 3.725 1.00 0.00 H new ATOM 1133 N MET A 850 -0.807 2.842 1.519 1.00 0.00 N ATOM 1134 CA MET A 850 -1.460 3.267 0.287 1.00 0.00 C ATOM 1135 C MET A 850 -2.595 2.310 -0.081 1.00 0.00 C ATOM 1136 O MET A 850 -3.687 2.743 -0.453 1.00 0.00 O ATOM 1137 CB MET A 850 -0.439 3.337 -0.854 1.00 0.00 C ATOM 1138 CG MET A 850 -1.040 3.713 -2.200 1.00 0.00 C ATOM 1139 SD MET A 850 -1.778 5.360 -2.202 1.00 0.00 S ATOM 1140 CE MET A 850 -0.426 6.331 -2.864 1.00 0.00 C ATOM 0 H MET A 850 0.171 2.578 1.402 1.00 0.00 H new ATOM 0 HA MET A 850 -1.883 4.259 0.446 1.00 0.00 H new ATOM 0 HB2 MET A 850 0.330 4.065 -0.595 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.055 2.370 -0.946 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.264 3.667 -2.965 1.00 0.00 H new ATOM 0 HG3 MET A 850 -1.799 2.979 -2.471 1.00 0.00 H new ATOM 0 HE1 MET A 850 -0.726 7.377 -2.928 1.00 0.00 H new ATOM 0 HE2 MET A 850 0.441 6.241 -2.209 1.00 0.00 H new ATOM 0 HE3 MET A 850 -0.169 5.966 -3.858 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.332 1.013 0.040 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.327 -0.011 -0.277 1.00 0.00 C ATOM 1152 C LEU A 851 -4.396 -0.098 0.810 1.00 0.00 C ATOM 1153 O LEU A 851 -5.401 -0.784 0.637 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.654 -1.377 -0.448 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.547 -1.439 -1.503 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -0.819 -2.773 -1.442 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.118 -1.204 -2.892 1.00 0.00 C ATOM 0 H LEU A 851 -1.436 0.643 0.356 1.00 0.00 H new ATOM 0 HA LEU A 851 -3.808 0.273 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.234 -1.678 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.419 -2.110 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 851 -0.828 -0.648 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.036 -2.795 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.372 -2.899 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.526 -3.582 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.316 -1.252 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.861 -1.970 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.588 -0.221 -2.931 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.142 0.577 1.939 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.079 0.636 3.075 1.00 0.00 C ATOM 1171 C ASN A 852 -4.957 -0.630 3.909 1.00 0.00 C ATOM 1172 O ASN A 852 -5.831 -0.962 4.713 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.534 0.833 2.619 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.074 2.209 2.951 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.648 2.429 4.019 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.906 3.146 2.031 1.00 0.00 N ATOM 0 H ASN A 852 -3.280 1.100 2.093 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.811 1.503 3.679 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.597 0.673 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.163 0.078 3.091 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -7.257 4.090 2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -6.425 2.924 1.159 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.844 -1.318 3.716 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.558 -2.547 4.427 1.00 0.00 C ATOM 1185 C LEU A 853 -2.860 -2.234 5.742 1.00 0.00 C ATOM 1186 O LEU A 853 -1.632 -2.318 5.847 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.687 -3.460 3.560 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.456 -4.309 2.544 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.500 -5.126 1.692 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -4.453 -5.214 3.249 1.00 0.00 C ATOM 0 H LEU A 853 -3.114 -1.038 3.061 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.493 -3.063 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -1.963 -2.846 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.121 -4.125 4.213 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.008 -3.637 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.068 -5.722 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -1.829 -4.456 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.916 -5.787 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -4.990 -5.809 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -3.923 -5.876 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -5.163 -4.606 3.810 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.657 -1.857 6.734 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.145 -1.470 8.045 1.00 0.00 C ATOM 1204 C VAL A 854 -2.294 -2.573 8.690 1.00 0.00 C ATOM 1205 O VAL A 854 -1.166 -2.306 9.095 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.281 -1.063 9.011 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -3.720 -0.319 10.213 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.317 -0.212 8.292 1.00 0.00 C ATOM 0 H VAL A 854 -4.673 -1.811 6.654 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.506 -0.604 7.868 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.770 -1.970 9.366 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.535 -0.041 10.881 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.018 -0.962 10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.204 0.580 9.876 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.108 0.064 8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -4.842 0.690 7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -5.744 -0.780 7.465 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.805 -3.824 8.801 1.00 0.00 N ATOM 1219 CA PRO A 855 -2.040 -4.939 9.384 1.00 0.00 C ATOM 1220 C PRO A 855 -0.675 -5.123 8.725 1.00 0.00 C ATOM 1221 O PRO A 855 0.345 -5.245 9.408 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.925 -6.157 9.124 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.302 -5.607 9.032 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.161 -4.253 8.400 1.00 0.00 C ATOM 0 HA PRO A 855 -1.824 -4.769 10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.639 -6.666 8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.842 -6.886 9.930 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.942 -6.254 8.432 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.760 -5.532 10.018 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.262 -4.304 7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.923 -3.561 8.759 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.659 -5.126 7.397 1.00 0.00 N ATOM 1233 CA GLY A 856 0.590 -5.251 6.674 1.00 0.00 C ATOM 1234 C GLY A 856 1.530 -4.100 6.963 1.00 0.00 C ATOM 1235 O GLY A 856 2.715 -4.304 7.228 1.00 0.00 O ATOM 0 H GLY A 856 -1.489 -5.044 6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 856 1.073 -6.190 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.387 -5.293 5.604 1.00 0.00 H new ATOM 1239 N LYS A 857 0.994 -2.888 6.931 1.00 0.00 N ATOM 1240 CA LYS A 857 1.783 -1.694 7.200 1.00 0.00 C ATOM 1241 C LYS A 857 2.313 -1.716 8.631 1.00 0.00 C ATOM 1242 O LYS A 857 3.449 -1.321 8.884 1.00 0.00 O ATOM 1243 CB LYS A 857 0.942 -0.436 6.952 1.00 0.00 C ATOM 1244 CG LYS A 857 1.665 0.867 7.259 1.00 0.00 C ATOM 1245 CD LYS A 857 1.136 1.511 8.531 1.00 0.00 C ATOM 1246 CE LYS A 857 -0.277 2.042 8.350 1.00 0.00 C ATOM 1247 NZ LYS A 857 -0.594 3.112 9.329 1.00 0.00 N ATOM 0 H LYS A 857 0.013 -2.705 6.721 1.00 0.00 H new ATOM 0 HA LYS A 857 2.636 -1.678 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.623 -0.425 5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 857 0.039 -0.490 7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.733 0.676 7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.545 1.557 6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 857 1.149 0.781 9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 857 1.796 2.327 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 857 -0.393 2.430 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -0.989 1.225 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 -1.566 3.448 9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -0.508 2.735 10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 0.070 3.903 9.206 1.00 0.00 H new ATOM 1261 N GLN A 858 1.489 -2.193 9.558 1.00 0.00 N ATOM 1262 CA GLN A 858 1.883 -2.307 10.957 1.00 0.00 C ATOM 1263 C GLN A 858 3.059 -3.275 11.095 1.00 0.00 C ATOM 1264 O GLN A 858 3.952 -3.072 11.923 1.00 0.00 O ATOM 1265 CB GLN A 858 0.686 -2.754 11.815 1.00 0.00 C ATOM 1266 CG GLN A 858 0.924 -4.018 12.631 1.00 0.00 C ATOM 1267 CD GLN A 858 0.232 -3.985 13.978 1.00 0.00 C ATOM 1268 OE1 GLN A 858 0.488 -3.108 14.802 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.652 -4.940 14.207 1.00 0.00 N ATOM 0 H GLN A 858 0.539 -2.508 9.364 1.00 0.00 H new ATOM 0 HA GLN A 858 2.206 -1.330 11.317 1.00 0.00 H new ATOM 0 HB2 GLN A 858 0.421 -1.944 12.494 1.00 0.00 H new ATOM 0 HB3 GLN A 858 -0.171 -2.916 11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 858 0.571 -4.881 12.067 1.00 0.00 H new ATOM 0 HG3 GLN A 858 1.995 -4.152 12.781 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -0.834 -5.648 13.496 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.153 -4.969 15.095 1.00 0.00 H new ATOM 1278 N LEU A 859 3.061 -4.318 10.268 1.00 0.00 N ATOM 1279 CA LEU A 859 4.168 -5.262 10.238 1.00 0.00 C ATOM 1280 C LEU A 859 5.444 -4.548 9.813 1.00 0.00 C ATOM 1281 O LEU A 859 6.496 -4.726 10.423 1.00 0.00 O ATOM 1282 CB LEU A 859 3.871 -6.417 9.279 1.00 0.00 C ATOM 1283 CG LEU A 859 3.167 -7.622 9.907 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.263 -8.299 8.890 1.00 0.00 C ATOM 1285 CD2 LEU A 859 4.188 -8.609 10.454 1.00 0.00 C ATOM 0 H LEU A 859 2.309 -4.528 9.612 1.00 0.00 H new ATOM 0 HA LEU A 859 4.300 -5.672 11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.254 -6.041 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.810 -6.754 8.840 1.00 0.00 H new ATOM 0 HG LEU A 859 2.551 -7.270 10.734 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.770 -9.154 9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.511 -7.590 8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 859 2.859 -8.639 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 859 3.670 -9.460 10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.829 -8.956 9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.797 -8.119 11.214 1.00 0.00 H new ATOM 1297 N CYS A 860 5.335 -3.728 8.774 1.00 0.00 N ATOM 1298 CA CYS A 860 6.466 -2.940 8.296 1.00 0.00 C ATOM 1299 C CYS A 860 6.922 -1.926 9.348 1.00 0.00 C ATOM 1300 O CYS A 860 8.118 -1.682 9.506 1.00 0.00 O ATOM 1301 CB CYS A 860 6.097 -2.222 6.997 1.00 0.00 C ATOM 1302 SG CYS A 860 5.278 -3.282 5.785 1.00 0.00 S ATOM 0 H CYS A 860 4.473 -3.591 8.245 1.00 0.00 H new ATOM 0 HA CYS A 860 7.294 -3.622 8.105 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.444 -1.381 7.231 1.00 0.00 H new ATOM 0 HB3 CYS A 860 7.002 -1.809 6.552 1.00 0.00 H new ATOM 0 HG CYS A 860 4.186 -3.765 6.299 1.00 0.00 H new ATOM 1308 N GLU A 861 5.969 -1.346 10.072 1.00 0.00 N ATOM 1309 CA GLU A 861 6.283 -0.398 11.139 1.00 0.00 C ATOM 1310 C GLU A 861 7.079 -1.091 12.240 1.00 0.00 C ATOM 1311 O GLU A 861 8.097 -0.578 12.711 1.00 0.00 O ATOM 1312 CB GLU A 861 5.002 0.208 11.719 1.00 0.00 C ATOM 1313 CG GLU A 861 4.237 1.077 10.733 1.00 0.00 C ATOM 1314 CD GLU A 861 3.451 2.184 11.407 1.00 0.00 C ATOM 1315 OE1 GLU A 861 2.595 1.879 12.261 1.00 0.00 O ATOM 1316 OE2 GLU A 861 3.684 3.366 11.081 1.00 0.00 O ATOM 0 H GLU A 861 4.972 -1.515 9.940 1.00 0.00 H new ATOM 0 HA GLU A 861 6.885 0.407 10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.352 -0.597 12.061 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.257 0.805 12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.938 1.517 10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.554 0.451 10.159 1.00 0.00 H new ATOM 1323 N THR A 862 6.619 -2.272 12.631 1.00 0.00 N ATOM 1324 CA THR A 862 7.320 -3.062 13.628 1.00 0.00 C ATOM 1325 C THR A 862 8.666 -3.539 13.086 1.00 0.00 C ATOM 1326 O THR A 862 9.642 -3.628 13.828 1.00 0.00 O ATOM 1327 CB THR A 862 6.485 -4.273 14.080 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.119 -3.883 14.278 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.041 -4.857 15.369 1.00 0.00 C ATOM 0 H THR A 862 5.766 -2.701 12.273 1.00 0.00 H new ATOM 0 HA THR A 862 7.487 -2.420 14.493 1.00 0.00 H new ATOM 0 HB THR A 862 6.535 -5.033 13.300 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.687 -3.752 13.408 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.436 -5.712 15.672 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.070 -5.179 15.209 1.00 0.00 H new ATOM 0 HG23 THR A 862 7.016 -4.099 16.152 1.00 0.00 H new ATOM 1337 N LEU A 863 8.713 -3.831 11.787 1.00 0.00 N ATOM 1338 CA LEU A 863 9.958 -4.213 11.133 1.00 0.00 C ATOM 1339 C LEU A 863 10.977 -3.088 11.249 1.00 0.00 C ATOM 1340 O LEU A 863 12.123 -3.321 11.617 1.00 0.00 O ATOM 1341 CB LEU A 863 9.713 -4.550 9.659 1.00 0.00 C ATOM 1342 CG LEU A 863 10.231 -5.917 9.195 1.00 0.00 C ATOM 1343 CD1 LEU A 863 10.502 -5.900 7.698 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.488 -6.311 9.962 1.00 0.00 C ATOM 0 H LEU A 863 7.902 -3.810 11.169 1.00 0.00 H new ATOM 0 HA LEU A 863 10.350 -5.101 11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.641 -4.504 9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 863 10.179 -3.778 9.046 1.00 0.00 H new ATOM 0 HG LEU A 863 9.462 -6.662 9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.869 -6.877 7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 863 9.580 -5.670 7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 863 11.251 -5.141 7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.836 -7.284 9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.266 -5.566 9.793 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.262 -6.365 11.027 1.00 0.00 H new ATOM 1356 N GLU A 864 10.542 -1.867 10.950 1.00 0.00 N ATOM 1357 CA GLU A 864 11.385 -0.684 11.097 1.00 0.00 C ATOM 1358 C GLU A 864 11.936 -0.600 12.518 1.00 0.00 C ATOM 1359 O GLU A 864 13.120 -0.345 12.729 1.00 0.00 O ATOM 1360 CB GLU A 864 10.578 0.574 10.778 1.00 0.00 C ATOM 1361 CG GLU A 864 11.238 1.483 9.755 1.00 0.00 C ATOM 1362 CD GLU A 864 10.637 2.874 9.741 1.00 0.00 C ATOM 1363 OE1 GLU A 864 9.579 3.085 10.372 1.00 0.00 O ATOM 1364 OE2 GLU A 864 11.215 3.766 9.084 1.00 0.00 O ATOM 0 H GLU A 864 9.604 -1.670 10.602 1.00 0.00 H new ATOM 0 HA GLU A 864 12.220 -0.760 10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.595 0.280 10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.418 1.135 11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.304 1.554 9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 864 11.142 1.039 8.764 1.00 0.00 H new ATOM 1371 N HIS A 865 11.059 -0.830 13.484 1.00 0.00 N ATOM 1372 CA HIS A 865 11.428 -0.836 14.897 1.00 0.00 C ATOM 1373 C HIS A 865 12.450 -1.940 15.190 1.00 0.00 C ATOM 1374 O HIS A 865 13.437 -1.715 15.889 1.00 0.00 O ATOM 1375 CB HIS A 865 10.153 -1.026 15.732 1.00 0.00 C ATOM 1376 CG HIS A 865 10.355 -1.101 17.216 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.368 0.009 18.026 1.00 0.00 N ATOM 1378 CD2 HIS A 865 10.495 -2.166 18.039 1.00 0.00 C ATOM 1379 CE1 HIS A 865 10.504 -0.366 19.282 1.00 0.00 C ATOM 1380 NE2 HIS A 865 10.582 -1.682 19.321 1.00 0.00 N ATOM 0 H HIS A 865 10.071 -1.018 13.313 1.00 0.00 H new ATOM 0 HA HIS A 865 11.898 0.112 15.160 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.473 -0.201 15.517 1.00 0.00 H new ATOM 0 HB3 HIS A 865 9.658 -1.940 15.404 1.00 0.00 H new ATOM 0 HD2 HIS A 865 10.532 -3.204 17.743 1.00 0.00 H new ATOM 0 HE1 HIS A 865 10.545 0.294 20.136 1.00 0.00 H new ATOM 0 HE2 HIS A 865 10.689 -2.247 20.164 1.00 0.00 H new ATOM 1389 N LEU A 866 12.217 -3.126 14.646 1.00 0.00 N ATOM 1390 CA LEU A 866 13.126 -4.249 14.846 1.00 0.00 C ATOM 1391 C LEU A 866 14.470 -3.979 14.182 1.00 0.00 C ATOM 1392 O LEU A 866 15.519 -4.339 14.712 1.00 0.00 O ATOM 1393 CB LEU A 866 12.519 -5.536 14.286 1.00 0.00 C ATOM 1394 CG LEU A 866 11.410 -6.149 15.140 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.445 -6.937 14.272 1.00 0.00 C ATOM 1396 CD2 LEU A 866 11.998 -7.038 16.223 1.00 0.00 C ATOM 0 H LEU A 866 11.407 -3.337 14.063 1.00 0.00 H new ATOM 0 HA LEU A 866 13.283 -4.369 15.918 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.121 -5.330 13.292 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.313 -6.272 14.165 1.00 0.00 H new ATOM 0 HG LEU A 866 10.861 -5.340 15.621 1.00 0.00 H new ATOM 0 HD11 LEU A 866 9.662 -7.367 14.896 1.00 0.00 H new ATOM 0 HD12 LEU A 866 9.997 -6.274 13.532 1.00 0.00 H new ATOM 0 HD13 LEU A 866 10.983 -7.737 13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.192 -7.465 16.820 1.00 0.00 H new ATOM 0 HD22 LEU A 866 12.573 -7.841 15.762 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.651 -6.446 16.865 1.00 0.00 H new ATOM 1408 N ILE A 867 14.432 -3.329 13.025 1.00 0.00 N ATOM 1409 CA ILE A 867 15.646 -2.987 12.295 1.00 0.00 C ATOM 1410 C ILE A 867 16.412 -1.899 13.039 1.00 0.00 C ATOM 1411 O ILE A 867 17.638 -1.946 13.143 1.00 0.00 O ATOM 1412 CB ILE A 867 15.333 -2.516 10.851 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.803 -3.686 10.018 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.565 -1.913 10.185 1.00 0.00 C ATOM 1415 CD1 ILE A 867 13.952 -3.259 8.840 1.00 0.00 C ATOM 0 H ILE A 867 13.570 -3.027 12.571 1.00 0.00 H new ATOM 0 HA ILE A 867 16.258 -3.887 12.229 1.00 0.00 H new ATOM 0 HB ILE A 867 14.568 -1.741 10.908 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.647 -4.271 9.652 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.215 -4.341 10.661 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.312 -1.593 9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 867 16.907 -1.054 10.763 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.357 -2.660 10.141 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.613 -4.141 8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.088 -2.699 9.199 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.542 -2.629 8.175 1.00 0.00 H new ATOM 1427 N ARG A 868 15.673 -0.941 13.585 1.00 0.00 N ATOM 1428 CA ARG A 868 16.264 0.158 14.324 1.00 0.00 C ATOM 1429 C ARG A 868 16.965 -0.351 15.584 1.00 0.00 C ATOM 1430 O ARG A 868 17.981 0.200 16.008 1.00 0.00 O ATOM 1431 CB ARG A 868 15.184 1.194 14.675 1.00 0.00 C ATOM 1432 CG ARG A 868 14.576 1.026 16.049 1.00 0.00 C ATOM 1433 CD ARG A 868 15.210 1.952 17.068 1.00 0.00 C ATOM 1434 NE ARG A 868 15.595 3.245 16.496 1.00 0.00 N ATOM 1435 CZ ARG A 868 16.847 3.700 16.461 1.00 0.00 C ATOM 1436 NH1 ARG A 868 17.835 2.989 16.994 1.00 0.00 N ATOM 1437 NH2 ARG A 868 17.109 4.870 15.899 1.00 0.00 N ATOM 0 H ARG A 868 14.655 -0.907 13.527 1.00 0.00 H new ATOM 0 HA ARG A 868 17.016 0.639 13.698 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.618 2.191 14.603 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.390 1.138 13.931 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.505 1.222 15.998 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.696 -0.007 16.374 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.511 2.116 17.888 1.00 0.00 H new ATOM 0 HD3 ARG A 868 16.091 1.470 17.492 1.00 0.00 H new ATOM 0 HE ARG A 868 14.860 3.832 16.101 1.00 0.00 H new ATOM 0 HH11 ARG A 868 17.637 2.090 17.433 1.00 0.00 H new ATOM 0 HH12 ARG A 868 18.791 3.342 16.964 1.00 0.00 H new ATOM 0 HH21 ARG A 868 16.353 5.422 15.494 1.00 0.00 H new ATOM 0 HH22 ARG A 868 18.067 5.219 15.872 1.00 0.00 H new ATOM 1451 N GLU A 869 16.417 -1.401 16.187 1.00 0.00 N ATOM 1452 CA GLU A 869 17.006 -1.966 17.391 1.00 0.00 C ATOM 1453 C GLU A 869 17.899 -3.158 17.047 1.00 0.00 C ATOM 1454 O GLU A 869 18.484 -3.791 17.929 1.00 0.00 O ATOM 1455 CB GLU A 869 15.910 -2.338 18.393 1.00 0.00 C ATOM 1456 CG GLU A 869 15.157 -3.620 18.071 1.00 0.00 C ATOM 1457 CD GLU A 869 13.790 -3.660 18.726 1.00 0.00 C ATOM 1458 OE1 GLU A 869 13.507 -2.798 19.589 1.00 0.00 O ATOM 1459 OE2 GLU A 869 12.992 -4.558 18.393 1.00 0.00 O ATOM 0 H GLU A 869 15.573 -1.873 15.863 1.00 0.00 H new ATOM 0 HA GLU A 869 17.641 -1.216 17.862 1.00 0.00 H new ATOM 0 HB2 GLU A 869 16.359 -2.436 19.381 1.00 0.00 H new ATOM 0 HB3 GLU A 869 15.195 -1.518 18.448 1.00 0.00 H new ATOM 0 HG2 GLU A 869 15.043 -3.711 16.991 1.00 0.00 H new ATOM 0 HG3 GLU A 869 15.743 -4.477 18.404 1.00 0.00 H new ATOM 1466 N LYS A 870 17.997 -3.437 15.747 1.00 0.00 N ATOM 1467 CA LYS A 870 18.910 -4.446 15.203 1.00 0.00 C ATOM 1468 C LYS A 870 18.614 -5.848 15.733 1.00 0.00 C ATOM 1469 O LYS A 870 19.529 -6.648 15.949 1.00 0.00 O ATOM 1470 CB LYS A 870 20.365 -4.065 15.487 1.00 0.00 C ATOM 1471 CG LYS A 870 20.739 -2.685 14.977 1.00 0.00 C ATOM 1472 CD LYS A 870 21.380 -2.751 13.601 1.00 0.00 C ATOM 1473 CE LYS A 870 20.869 -1.643 12.695 1.00 0.00 C ATOM 1474 NZ LYS A 870 21.960 -1.027 11.895 1.00 0.00 N ATOM 0 H LYS A 870 17.440 -2.965 15.034 1.00 0.00 H new ATOM 0 HA LYS A 870 18.750 -4.470 14.125 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.540 -4.106 16.562 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.022 -4.804 15.028 1.00 0.00 H new ATOM 0 HG2 LYS A 870 19.848 -2.059 14.934 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.428 -2.212 15.677 1.00 0.00 H new ATOM 0 HD2 LYS A 870 22.463 -2.672 13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.170 -3.719 13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 870 20.110 -2.045 12.024 1.00 0.00 H new ATOM 0 HE3 LYS A 870 20.385 -0.875 13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 21.567 -0.277 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 22.672 -0.620 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 22.406 -1.753 11.298 1.00 0.00 H new ATOM 1488 N ASP A 871 17.339 -6.150 15.929 1.00 0.00 N ATOM 1489 CA ASP A 871 16.929 -7.497 16.308 1.00 0.00 C ATOM 1490 C ASP A 871 16.884 -8.379 15.067 1.00 0.00 C ATOM 1491 O ASP A 871 15.820 -8.610 14.496 1.00 0.00 O ATOM 1492 CB ASP A 871 15.559 -7.477 16.991 1.00 0.00 C ATOM 1493 CG ASP A 871 15.300 -8.718 17.835 1.00 0.00 C ATOM 1494 OD1 ASP A 871 15.749 -9.822 17.452 1.00 0.00 O ATOM 1495 OD2 ASP A 871 14.638 -8.596 18.889 1.00 0.00 O ATOM 0 H ASP A 871 16.572 -5.485 15.833 1.00 0.00 H new ATOM 0 HA ASP A 871 17.653 -7.900 17.016 1.00 0.00 H new ATOM 0 HB2 ASP A 871 15.487 -6.592 17.623 1.00 0.00 H new ATOM 0 HB3 ASP A 871 14.781 -7.391 16.232 1.00 0.00 H new ATOM 1500 N VAL A 872 18.060 -8.846 14.649 1.00 0.00 N ATOM 1501 CA VAL A 872 18.213 -9.629 13.420 1.00 0.00 C ATOM 1502 C VAL A 872 17.199 -10.780 13.323 1.00 0.00 C ATOM 1503 O VAL A 872 16.484 -10.874 12.324 1.00 0.00 O ATOM 1504 CB VAL A 872 19.649 -10.187 13.275 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.882 -10.700 11.860 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.677 -9.124 13.635 1.00 0.00 C ATOM 0 H VAL A 872 18.934 -8.693 15.152 1.00 0.00 H new ATOM 0 HA VAL A 872 18.016 -8.938 12.600 1.00 0.00 H new ATOM 0 HB VAL A 872 19.764 -11.021 13.967 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.897 -11.089 11.776 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.170 -11.495 11.639 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.746 -9.884 11.150 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.680 -9.536 13.527 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.563 -8.268 12.970 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.525 -8.806 14.666 1.00 0.00 H new ATOM 1516 N PRO A 873 17.111 -11.670 14.342 1.00 0.00 N ATOM 1517 CA PRO A 873 16.137 -12.771 14.334 1.00 0.00 C ATOM 1518 C PRO A 873 14.700 -12.275 14.158 1.00 0.00 C ATOM 1519 O PRO A 873 13.911 -12.880 13.427 1.00 0.00 O ATOM 1520 CB PRO A 873 16.316 -13.425 15.709 1.00 0.00 C ATOM 1521 CG PRO A 873 17.699 -13.065 16.122 1.00 0.00 C ATOM 1522 CD PRO A 873 17.951 -11.697 15.557 1.00 0.00 C ATOM 0 HA PRO A 873 16.306 -13.454 13.502 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.580 -13.054 16.423 1.00 0.00 H new ATOM 0 HB3 PRO A 873 16.188 -14.506 15.653 1.00 0.00 H new ATOM 0 HG2 PRO A 873 17.795 -13.064 17.208 1.00 0.00 H new ATOM 0 HG3 PRO A 873 18.422 -13.786 15.739 1.00 0.00 H new ATOM 0 HD2 PRO A 873 17.667 -10.913 16.259 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.005 -11.547 15.321 1.00 0.00 H new ATOM 1530 N GLY A 874 14.376 -11.166 14.811 1.00 0.00 N ATOM 1531 CA GLY A 874 13.049 -10.596 14.689 1.00 0.00 C ATOM 1532 C GLY A 874 12.801 -10.036 13.305 1.00 0.00 C ATOM 1533 O GLY A 874 11.705 -10.164 12.762 1.00 0.00 O ATOM 0 H GLY A 874 15.009 -10.651 15.423 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.304 -11.360 14.910 1.00 0.00 H new ATOM 0 HA3 GLY A 874 12.924 -9.805 15.429 1.00 0.00 H new ATOM 1537 N ILE A 875 13.832 -9.428 12.731 1.00 0.00 N ATOM 1538 CA ILE A 875 13.741 -8.856 11.397 1.00 0.00 C ATOM 1539 C ILE A 875 13.436 -9.931 10.361 1.00 0.00 C ATOM 1540 O ILE A 875 12.452 -9.830 9.630 1.00 0.00 O ATOM 1541 CB ILE A 875 15.043 -8.123 11.001 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.250 -6.895 11.887 1.00 0.00 C ATOM 1543 CG2 ILE A 875 15.013 -7.712 9.533 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.695 -6.451 11.981 1.00 0.00 C ATOM 0 H ILE A 875 14.745 -9.319 13.173 1.00 0.00 H new ATOM 0 HA ILE A 875 12.925 -8.133 11.419 1.00 0.00 H new ATOM 0 HB ILE A 875 15.877 -8.810 11.147 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.650 -6.072 11.498 1.00 0.00 H new ATOM 0 HG13 ILE A 875 14.880 -7.114 12.889 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.940 -7.198 9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.908 -8.599 8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.169 -7.044 9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.765 -5.575 12.626 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.297 -7.258 12.398 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.064 -6.200 10.987 1.00 0.00 H new ATOM 1556 N GLU A 876 14.270 -10.968 10.312 1.00 0.00 N ATOM 1557 CA GLU A 876 14.099 -12.030 9.325 1.00 0.00 C ATOM 1558 C GLU A 876 12.760 -12.732 9.516 1.00 0.00 C ATOM 1559 O GLU A 876 12.072 -13.035 8.541 1.00 0.00 O ATOM 1560 CB GLU A 876 15.251 -13.040 9.387 1.00 0.00 C ATOM 1561 CG GLU A 876 15.638 -13.453 10.794 1.00 0.00 C ATOM 1562 CD GLU A 876 16.476 -14.713 10.823 1.00 0.00 C ATOM 1563 OE1 GLU A 876 17.512 -14.760 10.132 1.00 0.00 O ATOM 1564 OE2 GLU A 876 16.109 -15.660 11.552 1.00 0.00 O ATOM 0 H GLU A 876 15.064 -11.095 10.939 1.00 0.00 H new ATOM 0 HA GLU A 876 14.111 -11.570 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.971 -13.930 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 876 16.123 -12.611 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.192 -12.642 11.267 1.00 0.00 H new ATOM 0 HG3 GLU A 876 14.735 -13.609 11.384 1.00 0.00 H new ATOM 1571 N LYS A 877 12.377 -12.955 10.773 1.00 0.00 N ATOM 1572 CA LYS A 877 11.093 -13.574 11.076 1.00 0.00 C ATOM 1573 C LYS A 877 9.952 -12.725 10.525 1.00 0.00 C ATOM 1574 O LYS A 877 9.002 -13.251 9.947 1.00 0.00 O ATOM 1575 CB LYS A 877 10.917 -13.757 12.586 1.00 0.00 C ATOM 1576 CG LYS A 877 10.246 -15.070 12.975 1.00 0.00 C ATOM 1577 CD LYS A 877 8.743 -15.039 12.733 1.00 0.00 C ATOM 1578 CE LYS A 877 8.034 -14.108 13.705 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.571 -14.369 13.754 1.00 0.00 N ATOM 0 H LYS A 877 12.936 -12.717 11.592 1.00 0.00 H new ATOM 0 HA LYS A 877 11.072 -14.555 10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.895 -13.704 13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.326 -12.929 12.976 1.00 0.00 H new ATOM 0 HG2 LYS A 877 10.688 -15.886 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 877 10.439 -15.277 14.028 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.546 -14.716 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 877 8.338 -16.046 12.833 1.00 0.00 H new ATOM 0 HE2 LYS A 877 8.459 -14.231 14.701 1.00 0.00 H new ATOM 0 HE3 LYS A 877 8.209 -13.073 13.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 6.238 -14.298 14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 6.073 -13.668 13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 6.376 -15.324 13.391 1.00 0.00 H new ATOM 1593 N TYR A 878 10.060 -11.414 10.697 1.00 0.00 N ATOM 1594 CA TYR A 878 9.030 -10.499 10.234 1.00 0.00 C ATOM 1595 C TYR A 878 8.996 -10.427 8.713 1.00 0.00 C ATOM 1596 O TYR A 878 7.936 -10.232 8.126 1.00 0.00 O ATOM 1597 CB TYR A 878 9.235 -9.112 10.835 1.00 0.00 C ATOM 1598 CG TYR A 878 8.348 -8.860 12.030 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.410 -9.684 13.149 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.448 -7.803 12.043 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.594 -9.466 14.240 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.630 -7.580 13.133 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.709 -8.411 14.231 1.00 0.00 C ATOM 1604 OH TYR A 878 5.895 -8.194 15.319 1.00 0.00 O ATOM 0 H TYR A 878 10.852 -10.962 11.154 1.00 0.00 H new ATOM 0 HA TYR A 878 8.067 -10.883 10.570 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.278 -8.999 11.131 1.00 0.00 H new ATOM 0 HB3 TYR A 878 9.036 -8.357 10.074 1.00 0.00 H new ATOM 0 HD1 TYR A 878 9.108 -10.508 13.164 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.387 -7.146 11.188 1.00 0.00 H new ATOM 0 HE1 TYR A 878 7.649 -10.120 15.098 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.930 -6.757 13.126 1.00 0.00 H new ATOM 0 HH TYR A 878 6.346 -8.505 16.132 1.00 0.00 H new ATOM 1614 N ILE A 879 10.151 -10.586 8.074 1.00 0.00 N ATOM 1615 CA ILE A 879 10.196 -10.650 6.618 1.00 0.00 C ATOM 1616 C ILE A 879 9.367 -11.835 6.127 1.00 0.00 C ATOM 1617 O ILE A 879 8.565 -11.703 5.201 1.00 0.00 O ATOM 1618 CB ILE A 879 11.642 -10.768 6.079 1.00 0.00 C ATOM 1619 CG1 ILE A 879 12.488 -9.576 6.535 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.634 -10.852 4.558 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.970 -9.747 6.271 1.00 0.00 C ATOM 0 H ILE A 879 11.057 -10.672 8.534 1.00 0.00 H new ATOM 0 HA ILE A 879 9.780 -9.717 6.238 1.00 0.00 H new ATOM 0 HB ILE A 879 12.083 -11.680 6.481 1.00 0.00 H new ATOM 0 HG12 ILE A 879 12.138 -8.677 6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 879 12.333 -9.419 7.602 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.658 -10.935 4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 879 11.065 -11.728 4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 879 11.173 -9.954 4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 879 14.506 -8.864 6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 879 14.335 -10.626 6.802 1.00 0.00 H new ATOM 0 HD13 ILE A 879 14.137 -9.873 5.201 1.00 0.00 H new ATOM 1633 N SER A 880 9.539 -12.987 6.771 1.00 0.00 N ATOM 1634 CA SER A 880 8.747 -14.166 6.439 1.00 0.00 C ATOM 1635 C SER A 880 7.286 -13.977 6.848 1.00 0.00 C ATOM 1636 O SER A 880 6.386 -14.544 6.235 1.00 0.00 O ATOM 1637 CB SER A 880 9.325 -15.409 7.116 1.00 0.00 C ATOM 1638 OG SER A 880 10.186 -15.053 8.181 1.00 0.00 O ATOM 0 H SER A 880 10.216 -13.128 7.521 1.00 0.00 H new ATOM 0 HA SER A 880 8.787 -14.303 5.358 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.514 -16.033 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.872 -16.004 6.385 1.00 0.00 H new ATOM 0 HG SER A 880 9.703 -14.483 8.815 1.00 0.00 H new ATOM 1644 N ASP A 881 7.058 -13.180 7.885 1.00 0.00 N ATOM 1645 CA ASP A 881 5.702 -12.888 8.350 1.00 0.00 C ATOM 1646 C ASP A 881 4.978 -12.005 7.342 1.00 0.00 C ATOM 1647 O ASP A 881 3.792 -12.184 7.079 1.00 0.00 O ATOM 1648 CB ASP A 881 5.741 -12.197 9.716 1.00 0.00 C ATOM 1649 CG ASP A 881 4.765 -12.798 10.710 1.00 0.00 C ATOM 1650 OD1 ASP A 881 3.551 -12.833 10.417 1.00 0.00 O ATOM 1651 OD2 ASP A 881 5.209 -13.233 11.796 1.00 0.00 O ATOM 0 H ASP A 881 7.794 -12.722 8.423 1.00 0.00 H new ATOM 0 HA ASP A 881 5.162 -13.830 8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.751 -12.262 10.121 1.00 0.00 H new ATOM 0 HB3 ASP A 881 5.516 -11.138 9.588 1.00 0.00 H new ATOM 1656 N ILE A 882 5.705 -11.051 6.776 1.00 0.00 N ATOM 1657 CA ILE A 882 5.182 -10.225 5.697 1.00 0.00 C ATOM 1658 C ILE A 882 4.978 -11.080 4.448 1.00 0.00 C ATOM 1659 O ILE A 882 4.035 -10.872 3.681 1.00 0.00 O ATOM 1660 CB ILE A 882 6.125 -9.031 5.394 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.905 -7.919 6.423 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.915 -8.491 3.982 1.00 0.00 C ATOM 1663 CD1 ILE A 882 7.170 -7.180 6.801 1.00 0.00 C ATOM 0 H ILE A 882 6.663 -10.830 7.048 1.00 0.00 H new ATOM 0 HA ILE A 882 4.222 -9.813 6.010 1.00 0.00 H new ATOM 0 HB ILE A 882 7.152 -9.390 5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 882 5.183 -7.206 6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 882 5.464 -8.350 7.322 1.00 0.00 H new ATOM 0 HG21 ILE A 882 6.593 -7.656 3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 882 6.116 -9.280 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.885 -8.151 3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.935 -6.408 7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.886 -7.881 7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 882 7.601 -6.718 5.913 1.00 0.00 H new ATOM 1675 N ASP A 883 5.846 -12.071 4.279 1.00 0.00 N ATOM 1676 CA ASP A 883 5.799 -12.948 3.120 1.00 0.00 C ATOM 1677 C ASP A 883 4.567 -13.825 3.215 1.00 0.00 C ATOM 1678 O ASP A 883 3.788 -13.927 2.277 1.00 0.00 O ATOM 1679 CB ASP A 883 7.059 -13.816 3.062 1.00 0.00 C ATOM 1680 CG ASP A 883 7.386 -14.312 1.664 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.478 -14.370 0.813 1.00 0.00 O ATOM 1682 OD2 ASP A 883 8.558 -14.665 1.413 1.00 0.00 O ATOM 0 H ASP A 883 6.595 -12.286 4.937 1.00 0.00 H new ATOM 0 HA ASP A 883 5.752 -12.348 2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.904 -13.243 3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 883 6.931 -14.673 3.723 1.00 0.00 H new ATOM 1687 N SER A 884 4.388 -14.421 4.382 1.00 0.00 N ATOM 1688 CA SER A 884 3.247 -15.276 4.654 1.00 0.00 C ATOM 1689 C SER A 884 1.947 -14.475 4.585 1.00 0.00 C ATOM 1690 O SER A 884 0.939 -14.951 4.055 1.00 0.00 O ATOM 1691 CB SER A 884 3.424 -15.916 6.031 1.00 0.00 C ATOM 1692 OG SER A 884 3.884 -14.976 6.979 1.00 0.00 O ATOM 0 H SER A 884 5.031 -14.325 5.168 1.00 0.00 H new ATOM 0 HA SER A 884 3.189 -16.060 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.475 -16.336 6.364 1.00 0.00 H new ATOM 0 HB3 SER A 884 4.132 -16.742 5.962 1.00 0.00 H new ATOM 0 HG SER A 884 4.862 -14.927 6.943 1.00 0.00 H new ATOM 1698 N TYR A 885 1.993 -13.253 5.121 1.00 0.00 N ATOM 1699 CA TYR A 885 0.896 -12.292 5.001 1.00 0.00 C ATOM 1700 C TYR A 885 0.449 -12.200 3.559 1.00 0.00 C ATOM 1701 O TYR A 885 -0.710 -12.429 3.217 1.00 0.00 O ATOM 1702 CB TYR A 885 1.385 -10.909 5.433 1.00 0.00 C ATOM 1703 CG TYR A 885 0.292 -9.870 5.591 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.558 -9.875 6.690 1.00 0.00 C ATOM 1705 CD2 TYR A 885 0.117 -8.879 4.631 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.552 -8.921 6.827 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -0.871 -7.923 4.762 1.00 0.00 C ATOM 1708 CZ TYR A 885 -1.704 -7.948 5.859 1.00 0.00 C ATOM 1709 OH TYR A 885 -2.686 -6.992 5.991 1.00 0.00 O ATOM 0 H TYR A 885 2.792 -12.903 5.650 1.00 0.00 H new ATOM 0 HA TYR A 885 0.069 -12.622 5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.915 -11.006 6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 885 2.107 -10.549 4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.442 -10.635 7.449 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.765 -8.857 3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.205 -8.938 7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -0.990 -7.159 4.008 1.00 0.00 H new ATOM 0 HH TYR A 885 -3.510 -7.309 5.567 1.00 0.00 H new ATOM 1719 N VAL A 886 1.414 -11.877 2.731 1.00 0.00 N ATOM 1720 CA VAL A 886 1.208 -11.669 1.325 1.00 0.00 C ATOM 1721 C VAL A 886 0.828 -12.983 0.631 1.00 0.00 C ATOM 1722 O VAL A 886 -0.024 -12.995 -0.253 1.00 0.00 O ATOM 1723 CB VAL A 886 2.486 -11.029 0.739 1.00 0.00 C ATOM 1724 CG1 VAL A 886 3.031 -11.786 -0.459 1.00 0.00 C ATOM 1725 CG2 VAL A 886 2.230 -9.577 0.380 1.00 0.00 C ATOM 0 H VAL A 886 2.382 -11.750 3.026 1.00 0.00 H new ATOM 0 HA VAL A 886 0.372 -10.990 1.155 1.00 0.00 H new ATOM 0 HB VAL A 886 3.250 -11.082 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.929 -11.288 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.277 -12.806 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 886 2.280 -11.808 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 886 3.139 -9.138 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.432 -9.520 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.935 -9.028 1.274 1.00 0.00 H new ATOM 1735 N LYS A 887 1.431 -14.088 1.068 1.00 0.00 N ATOM 1736 CA LYS A 887 1.124 -15.408 0.531 1.00 0.00 C ATOM 1737 C LYS A 887 -0.364 -15.729 0.634 1.00 0.00 C ATOM 1738 O LYS A 887 -0.942 -16.302 -0.283 1.00 0.00 O ATOM 1739 CB LYS A 887 1.915 -16.480 1.283 1.00 0.00 C ATOM 1740 CG LYS A 887 3.381 -16.562 0.905 1.00 0.00 C ATOM 1741 CD LYS A 887 3.611 -16.192 -0.544 1.00 0.00 C ATOM 1742 CE LYS A 887 4.866 -16.843 -1.108 1.00 0.00 C ATOM 1743 NZ LYS A 887 6.023 -16.743 -0.178 1.00 0.00 N ATOM 0 H LYS A 887 2.141 -14.091 1.800 1.00 0.00 H new ATOM 0 HA LYS A 887 1.405 -15.402 -0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 887 1.839 -16.286 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 887 1.451 -17.450 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 887 3.959 -15.896 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.746 -17.573 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 887 2.748 -16.495 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 887 3.694 -15.109 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.664 -17.893 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 887 5.123 -16.370 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.903 -16.659 -0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 5.910 -15.905 0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 6.066 -17.596 0.416 1.00 0.00 H new ATOM 1757 N SER A 888 -0.980 -15.371 1.755 1.00 0.00 N ATOM 1758 CA SER A 888 -2.381 -15.697 1.976 1.00 0.00 C ATOM 1759 C SER A 888 -3.300 -14.582 1.479 1.00 0.00 C ATOM 1760 O SER A 888 -4.471 -14.822 1.181 1.00 0.00 O ATOM 1761 CB SER A 888 -2.635 -15.968 3.460 1.00 0.00 C ATOM 1762 OG SER A 888 -1.775 -15.192 4.277 1.00 0.00 O ATOM 0 H SER A 888 -0.535 -14.860 2.517 1.00 0.00 H new ATOM 0 HA SER A 888 -2.607 -16.597 1.405 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.673 -15.741 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 888 -2.483 -17.027 3.670 1.00 0.00 H new ATOM 0 HG SER A 888 -1.959 -15.383 5.220 1.00 0.00 H new ATOM 1768 N LEU A 889 -2.773 -13.367 1.391 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.580 -12.223 0.980 1.00 0.00 C ATOM 1770 C LEU A 889 -3.723 -12.143 -0.540 1.00 0.00 C ATOM 1771 O LEU A 889 -4.696 -11.581 -1.044 1.00 0.00 O ATOM 1772 CB LEU A 889 -2.997 -10.922 1.530 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.927 -10.160 2.478 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -3.574 -10.458 3.925 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -3.859 -8.666 2.209 1.00 0.00 C ATOM 0 H LEU A 889 -1.798 -13.148 1.597 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.577 -12.365 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.069 -11.148 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -2.739 -10.272 0.694 1.00 0.00 H new ATOM 0 HG LEU A 889 -4.949 -10.494 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -4.245 -9.908 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -3.677 -11.527 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.545 -10.154 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.527 -8.142 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -2.838 -8.315 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -4.163 -8.467 1.181 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.765 -12.695 -1.271 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.876 -12.759 -2.721 1.00 0.00 C ATOM 1789 C LEU A 890 -2.800 -14.202 -3.193 1.00 0.00 C ATOM 1790 O LEU A 890 -3.043 -15.107 -2.364 1.00 0.00 O ATOM 1791 CB LEU A 890 -1.808 -11.896 -3.411 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.349 -12.192 -3.050 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.344 -12.948 -4.173 1.00 0.00 C ATOM 1794 CD2 LEU A 890 0.391 -10.898 -2.756 1.00 0.00 C ATOM 1795 OXT LEU A 890 -2.516 -14.434 -4.385 1.00 0.00 O ATOM 0 H LEU A 890 -1.911 -13.101 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 890 -3.848 -12.352 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.922 -12.010 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -2.011 -10.851 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 890 -0.338 -12.818 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.379 -13.147 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -0.172 -13.892 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.323 -12.348 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 890 1.427 -11.121 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 890 0.365 -10.256 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -0.087 -10.387 -1.920 1.00 0.00 H new