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 802 ASN : amide:sc= 0.548 K(o=2.1,f=1.1) USER MOD Set 1.2: A 811 TYR OH : rot -128:sc= 1.57 USER MOD Single : A 804 GLN : amide:sc= -0.63 X(o=-0.63,f=-1!) USER MOD Single : A 806 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.038) USER MOD Single : A 808 SER OG : rot -72:sc= 1.1 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 817 THR OG1 : rot -69:sc= 1.01 USER MOD Single : A 823 LYS NZ :NH3+ 153:sc= 1.2 (180deg=1.04) USER MOD Single : A 826 TYR OH : rot 180:sc= 0 USER MOD Single : A 827 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 831 THR OG1 : rot 167:sc= -1.43! USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 839 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.66) USER MOD Single : A 840 THR OG1 : rot 88:sc= 1.18 USER MOD Single : A 842 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 845 LYS NZ :NH3+ 144:sc= 1.14 (180deg=-0.834) USER MOD Single : A 850 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 852 ASN : amide:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 857 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.123) USER MOD Single : A 858 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 860 CYS SG : rot 59:sc= 0.446 USER MOD Single : A 862 THR OG1 : rot 75:sc= 0.863 USER MOD Single : A 865 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ 152:sc= -0.0794 (180deg=-0.461) USER MOD Single : A 878 TYR OH : rot 30:sc= 0 USER MOD Single : A 880 SER OG : rot 82:sc= 1.21 USER MOD Single : A 884 SER OG : rot -83:sc= 0.00641 USER MOD Single : A 885 TYR OH : rot 30:sc= -0.65 USER MOD Single : A 887 LYS NZ :NH3+ 169:sc= 1.18 (180deg=0.74) USER MOD Single : A 888 SER OG : rot 180:sc= -0.256 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -8.942 -7.133 1.776 1.00 0.00 N ATOM 407 CA ASN A 802 -8.558 -7.851 0.562 1.00 0.00 C ATOM 408 C ASN A 802 -9.609 -7.671 -0.531 1.00 0.00 C ATOM 409 O ASN A 802 -9.277 -7.350 -1.674 1.00 0.00 O ATOM 410 CB ASN A 802 -8.347 -9.343 0.878 1.00 0.00 C ATOM 411 CG ASN A 802 -8.624 -10.259 -0.304 1.00 0.00 C ATOM 412 OD1 ASN A 802 -9.749 -10.722 -0.498 1.00 0.00 O ATOM 413 ND2 ASN A 802 -7.597 -10.546 -1.086 1.00 0.00 N ATOM 0 HA ASN A 802 -7.620 -7.436 0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -7.320 -9.494 1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -8.996 -9.626 1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -7.721 -11.171 -1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -6.680 -10.143 -0.893 1.00 0.00 H new ATOM 420 N ALA A 803 -10.877 -7.856 -0.174 1.00 0.00 N ATOM 421 CA ALA A 803 -11.964 -7.681 -1.130 1.00 0.00 C ATOM 422 C ALA A 803 -12.037 -6.234 -1.600 1.00 0.00 C ATOM 423 O ALA A 803 -12.297 -5.962 -2.774 1.00 0.00 O ATOM 424 CB ALA A 803 -13.293 -8.103 -0.524 1.00 0.00 C ATOM 0 H ALA A 803 -11.175 -8.125 0.764 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.760 -8.318 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -14.088 -7.963 -1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -13.245 -9.153 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -13.500 -7.495 0.357 1.00 0.00 H new ATOM 430 N GLN A 804 -11.791 -5.308 -0.683 1.00 0.00 N ATOM 431 CA GLN A 804 -11.828 -3.889 -1.004 1.00 0.00 C ATOM 432 C GLN A 804 -10.682 -3.516 -1.943 1.00 0.00 C ATOM 433 O GLN A 804 -10.889 -2.822 -2.941 1.00 0.00 O ATOM 434 CB GLN A 804 -11.763 -3.049 0.274 1.00 0.00 C ATOM 435 CG GLN A 804 -13.095 -2.923 1.012 1.00 0.00 C ATOM 436 CD GLN A 804 -14.264 -3.550 0.269 1.00 0.00 C ATOM 437 OE1 GLN A 804 -14.782 -2.977 -0.689 1.00 0.00 O ATOM 438 NE2 GLN A 804 -14.689 -4.727 0.709 1.00 0.00 N ATOM 0 H GLN A 804 -11.564 -5.515 0.290 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.770 -3.679 -1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.028 -3.490 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -11.405 -2.051 0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -13.004 -3.392 1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -13.308 -1.868 1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -14.232 -5.169 1.507 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -15.473 -5.190 0.250 1.00 0.00 H new ATOM 447 N LEU A 805 -9.480 -3.998 -1.632 1.00 0.00 N ATOM 448 CA LEU A 805 -8.304 -3.728 -2.454 1.00 0.00 C ATOM 449 C LEU A 805 -8.477 -4.334 -3.843 1.00 0.00 C ATOM 450 O LEU A 805 -8.022 -3.774 -4.844 1.00 0.00 O ATOM 451 CB LEU A 805 -7.034 -4.269 -1.777 1.00 0.00 C ATOM 452 CG LEU A 805 -6.252 -5.323 -2.561 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.925 -4.756 -3.039 1.00 0.00 C ATOM 454 CD2 LEU A 805 -6.023 -6.561 -1.704 1.00 0.00 C ATOM 0 H LEU A 805 -9.296 -4.579 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 805 -8.197 -2.649 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.369 -3.429 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -7.314 -4.695 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.839 -5.609 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -4.382 -5.520 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -5.108 -3.898 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -4.332 -4.443 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -5.465 -7.302 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.456 -6.288 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.984 -6.981 -1.407 1.00 0.00 H new ATOM 466 N HIS A 806 -9.150 -5.474 -3.899 1.00 0.00 N ATOM 467 CA HIS A 806 -9.437 -6.121 -5.167 1.00 0.00 C ATOM 468 C HIS A 806 -10.431 -5.290 -5.973 1.00 0.00 C ATOM 469 O HIS A 806 -10.267 -5.112 -7.181 1.00 0.00 O ATOM 470 CB HIS A 806 -9.989 -7.531 -4.939 1.00 0.00 C ATOM 471 CG HIS A 806 -9.621 -8.487 -6.027 1.00 0.00 C ATOM 472 ND1 HIS A 806 -9.763 -9.853 -5.920 1.00 0.00 N ATOM 473 CD2 HIS A 806 -9.104 -8.261 -7.255 1.00 0.00 C ATOM 474 CE1 HIS A 806 -9.355 -10.424 -7.037 1.00 0.00 C ATOM 475 NE2 HIS A 806 -8.951 -9.480 -7.862 1.00 0.00 N ATOM 0 H HIS A 806 -9.506 -5.968 -3.081 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.507 -6.200 -5.731 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -9.616 -7.911 -3.988 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -11.075 -7.481 -4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -8.857 -7.299 -7.679 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -9.353 -11.485 -7.240 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -8.583 -9.632 -8.801 1.00 0.00 H new ATOM 484 N ALA A 807 -11.443 -4.769 -5.287 1.00 0.00 N ATOM 485 CA ALA A 807 -12.480 -3.967 -5.925 1.00 0.00 C ATOM 486 C ALA A 807 -11.926 -2.650 -6.468 1.00 0.00 C ATOM 487 O ALA A 807 -12.439 -2.113 -7.446 1.00 0.00 O ATOM 488 CB ALA A 807 -13.617 -3.697 -4.949 1.00 0.00 C ATOM 0 H ALA A 807 -11.567 -4.889 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.862 -4.539 -6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.383 -3.097 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -14.050 -4.643 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -13.233 -3.157 -4.083 1.00 0.00 H new ATOM 494 N SER A 808 -10.878 -2.130 -5.835 1.00 0.00 N ATOM 495 CA SER A 808 -10.281 -0.872 -6.271 1.00 0.00 C ATOM 496 C SER A 808 -9.247 -1.103 -7.375 1.00 0.00 C ATOM 497 O SER A 808 -8.669 -0.155 -7.906 1.00 0.00 O ATOM 498 CB SER A 808 -9.637 -0.147 -5.089 1.00 0.00 C ATOM 499 OG SER A 808 -9.323 -1.048 -4.042 1.00 0.00 O ATOM 0 H SER A 808 -10.428 -2.556 -5.025 1.00 0.00 H new ATOM 0 HA SER A 808 -11.077 -0.248 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.730 0.359 -5.420 1.00 0.00 H new ATOM 0 HB3 SER A 808 -10.314 0.622 -4.719 1.00 0.00 H new ATOM 0 HG SER A 808 -10.149 -1.335 -3.599 1.00 0.00 H new ATOM 505 N GLY A 809 -9.019 -2.369 -7.710 1.00 0.00 N ATOM 506 CA GLY A 809 -8.098 -2.707 -8.780 1.00 0.00 C ATOM 507 C GLY A 809 -6.645 -2.480 -8.408 1.00 0.00 C ATOM 508 O GLY A 809 -5.821 -2.145 -9.263 1.00 0.00 O ATOM 0 H GLY A 809 -9.458 -3.170 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.237 -3.753 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.339 -2.111 -9.660 1.00 0.00 H new ATOM 512 N TYR A 810 -6.326 -2.666 -7.135 1.00 0.00 N ATOM 513 CA TYR A 810 -4.959 -2.485 -6.660 1.00 0.00 C ATOM 514 C TYR A 810 -4.223 -3.819 -6.609 1.00 0.00 C ATOM 515 O TYR A 810 -3.054 -3.876 -6.236 1.00 0.00 O ATOM 516 CB TYR A 810 -4.958 -1.846 -5.274 1.00 0.00 C ATOM 517 CG TYR A 810 -5.092 -0.341 -5.288 1.00 0.00 C ATOM 518 CD1 TYR A 810 -4.221 0.448 -6.030 1.00 0.00 C ATOM 519 CD2 TYR A 810 -6.086 0.291 -4.553 1.00 0.00 C ATOM 520 CE1 TYR A 810 -4.339 1.825 -6.038 1.00 0.00 C ATOM 521 CE2 TYR A 810 -6.209 1.667 -4.556 1.00 0.00 C ATOM 522 CZ TYR A 810 -5.334 2.428 -5.299 1.00 0.00 C ATOM 523 OH TYR A 810 -5.456 3.799 -5.299 1.00 0.00 O ATOM 0 H TYR A 810 -6.992 -2.941 -6.413 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.444 -1.826 -7.359 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.777 -2.267 -4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -4.033 -2.113 -4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -3.440 -0.022 -6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -6.774 -0.303 -3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -3.655 2.425 -6.620 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -6.987 2.144 -3.979 1.00 0.00 H new ATOM 0 HH TYR A 810 -6.208 4.060 -4.728 1.00 0.00 H new ATOM 533 N TYR A 811 -4.912 -4.882 -7.002 1.00 0.00 N ATOM 534 CA TYR A 811 -4.353 -6.230 -6.960 1.00 0.00 C ATOM 535 C TYR A 811 -3.102 -6.328 -7.828 1.00 0.00 C ATOM 536 O TYR A 811 -2.103 -6.921 -7.427 1.00 0.00 O ATOM 537 CB TYR A 811 -5.394 -7.240 -7.438 1.00 0.00 C ATOM 538 CG TYR A 811 -5.725 -8.313 -6.427 1.00 0.00 C ATOM 539 CD1 TYR A 811 -6.120 -7.984 -5.137 1.00 0.00 C ATOM 540 CD2 TYR A 811 -5.661 -9.656 -6.770 1.00 0.00 C ATOM 541 CE1 TYR A 811 -6.437 -8.965 -4.217 1.00 0.00 C ATOM 542 CE2 TYR A 811 -5.980 -10.641 -5.857 1.00 0.00 C ATOM 543 CZ TYR A 811 -6.368 -10.290 -4.581 1.00 0.00 C ATOM 544 OH TYR A 811 -6.699 -11.268 -3.674 1.00 0.00 O ATOM 0 H TYR A 811 -5.867 -4.837 -7.357 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.076 -6.454 -5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.308 -6.707 -7.698 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.031 -7.715 -8.350 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -6.180 -6.945 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -5.357 -9.935 -7.768 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -6.738 -8.693 -3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -5.926 -11.682 -6.141 1.00 0.00 H new ATOM 0 HH TYR A 811 -5.971 -11.922 -3.617 1.00 0.00 H new ATOM 554 N ALA A 812 -3.165 -5.725 -9.009 1.00 0.00 N ATOM 555 CA ALA A 812 -2.045 -5.735 -9.943 1.00 0.00 C ATOM 556 C ALA A 812 -0.810 -5.068 -9.345 1.00 0.00 C ATOM 557 O ALA A 812 0.313 -5.462 -9.635 1.00 0.00 O ATOM 558 CB ALA A 812 -2.438 -5.055 -11.245 1.00 0.00 C ATOM 0 H ALA A 812 -3.985 -5.220 -9.344 1.00 0.00 H new ATOM 0 HA ALA A 812 -1.792 -6.775 -10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.593 -5.070 -11.933 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.279 -5.584 -11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.724 -4.023 -11.044 1.00 0.00 H new ATOM 564 N LEU A 813 -1.021 -4.069 -8.497 1.00 0.00 N ATOM 565 CA LEU A 813 0.089 -3.378 -7.857 1.00 0.00 C ATOM 566 C LEU A 813 0.538 -4.151 -6.621 1.00 0.00 C ATOM 567 O LEU A 813 1.726 -4.191 -6.292 1.00 0.00 O ATOM 568 CB LEU A 813 -0.317 -1.949 -7.484 1.00 0.00 C ATOM 569 CG LEU A 813 -0.414 -0.978 -8.663 1.00 0.00 C ATOM 570 CD1 LEU A 813 -1.708 -0.181 -8.597 1.00 0.00 C ATOM 571 CD2 LEU A 813 0.790 -0.048 -8.685 1.00 0.00 C ATOM 0 H LEU A 813 -1.944 -3.722 -8.238 1.00 0.00 H new ATOM 0 HA LEU A 813 0.924 -3.323 -8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.282 -1.981 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 813 0.405 -1.557 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 813 -0.419 -1.557 -9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -1.757 0.503 -9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -2.558 -0.863 -8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -1.738 0.389 -7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 813 0.706 0.636 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 813 0.826 0.523 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 813 1.702 -0.636 -8.784 1.00 0.00 H new ATOM 583 N PHE A 814 -0.429 -4.779 -5.961 1.00 0.00 N ATOM 584 CA PHE A 814 -0.174 -5.603 -4.785 1.00 0.00 C ATOM 585 C PHE A 814 0.751 -6.767 -5.134 1.00 0.00 C ATOM 586 O PHE A 814 1.724 -7.033 -4.433 1.00 0.00 O ATOM 587 CB PHE A 814 -1.506 -6.124 -4.231 1.00 0.00 C ATOM 588 CG PHE A 814 -1.415 -6.769 -2.874 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.566 -6.269 -1.898 1.00 0.00 C ATOM 590 CD2 PHE A 814 -2.190 -7.876 -2.577 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.494 -6.867 -0.652 1.00 0.00 C ATOM 592 CE2 PHE A 814 -2.123 -8.477 -1.335 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.274 -7.971 -0.371 1.00 0.00 C ATOM 0 H PHE A 814 -1.413 -4.731 -6.227 1.00 0.00 H new ATOM 0 HA PHE A 814 0.320 -4.997 -4.025 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.211 -5.294 -4.177 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.918 -6.847 -4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 814 0.045 -5.405 -2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.857 -8.276 -3.327 1.00 0.00 H new ATOM 0 HE1 PHE A 814 0.172 -6.470 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.734 -9.341 -1.118 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.220 -8.438 0.601 1.00 0.00 H new ATOM 603 N VAL A 815 0.461 -7.438 -6.238 1.00 0.00 N ATOM 604 CA VAL A 815 1.251 -8.592 -6.655 1.00 0.00 C ATOM 605 C VAL A 815 2.508 -8.172 -7.411 1.00 0.00 C ATOM 606 O VAL A 815 3.355 -9.008 -7.731 1.00 0.00 O ATOM 607 CB VAL A 815 0.432 -9.562 -7.540 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.835 -10.003 -6.827 1.00 0.00 C ATOM 609 CG2 VAL A 815 0.092 -8.922 -8.880 1.00 0.00 C ATOM 0 H VAL A 815 -0.312 -7.206 -6.861 1.00 0.00 H new ATOM 0 HA VAL A 815 1.540 -9.107 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 815 1.046 -10.443 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.395 -10.684 -7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.572 -10.511 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.448 -9.130 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -0.484 -9.624 -9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.496 -8.020 -8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 815 1.012 -8.664 -9.404 1.00 0.00 H new ATOM 619 N ASP A 816 2.635 -6.883 -7.686 1.00 0.00 N ATOM 620 CA ASP A 816 3.760 -6.385 -8.466 1.00 0.00 C ATOM 621 C ASP A 816 4.931 -5.999 -7.569 1.00 0.00 C ATOM 622 O ASP A 816 5.942 -6.700 -7.513 1.00 0.00 O ATOM 623 CB ASP A 816 3.340 -5.182 -9.310 1.00 0.00 C ATOM 624 CG ASP A 816 4.307 -4.903 -10.444 1.00 0.00 C ATOM 625 OD1 ASP A 816 5.459 -4.515 -10.167 1.00 0.00 O ATOM 626 OD2 ASP A 816 3.918 -5.070 -11.619 1.00 0.00 O ATOM 0 H ASP A 816 1.977 -6.165 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 816 4.082 -7.191 -9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.346 -5.359 -9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 816 3.269 -4.301 -8.672 1.00 0.00 H new ATOM 631 N THR A 817 4.783 -4.891 -6.853 1.00 0.00 N ATOM 632 CA THR A 817 5.895 -4.330 -6.099 1.00 0.00 C ATOM 633 C THR A 817 6.128 -5.056 -4.775 1.00 0.00 C ATOM 634 O THR A 817 7.262 -5.165 -4.331 1.00 0.00 O ATOM 635 CB THR A 817 5.710 -2.810 -5.851 1.00 0.00 C ATOM 636 OG1 THR A 817 6.972 -2.201 -5.530 1.00 0.00 O ATOM 637 CG2 THR A 817 4.710 -2.532 -4.737 1.00 0.00 C ATOM 0 H THR A 817 3.911 -4.367 -6.779 1.00 0.00 H new ATOM 0 HA THR A 817 6.782 -4.475 -6.716 1.00 0.00 H new ATOM 0 HB THR A 817 5.316 -2.378 -6.771 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.270 -2.511 -4.649 1.00 0.00 H new ATOM 0 HG21 THR A 817 4.611 -1.456 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 817 3.741 -2.954 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 817 5.061 -2.988 -3.811 1.00 0.00 H new ATOM 645 N VAL A 818 5.071 -5.583 -4.166 1.00 0.00 N ATOM 646 CA VAL A 818 5.190 -6.163 -2.830 1.00 0.00 C ATOM 647 C VAL A 818 6.123 -7.384 -2.814 1.00 0.00 C ATOM 648 O VAL A 818 7.089 -7.399 -2.056 1.00 0.00 O ATOM 649 CB VAL A 818 3.813 -6.526 -2.230 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.976 -7.222 -0.886 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.958 -5.276 -2.082 1.00 0.00 C ATOM 0 H VAL A 818 4.134 -5.622 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 818 5.635 -5.392 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 818 3.312 -7.215 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.994 -7.468 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.554 -8.137 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.497 -6.560 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.990 -5.545 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.459 -4.568 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.811 -4.818 -3.060 1.00 0.00 H new ATOM 661 N PRO A 819 5.873 -8.420 -3.647 1.00 0.00 N ATOM 662 CA PRO A 819 6.748 -9.601 -3.701 1.00 0.00 C ATOM 663 C PRO A 819 8.182 -9.240 -4.085 1.00 0.00 C ATOM 664 O PRO A 819 9.143 -9.835 -3.588 1.00 0.00 O ATOM 665 CB PRO A 819 6.107 -10.479 -4.781 1.00 0.00 C ATOM 666 CG PRO A 819 4.694 -10.022 -4.853 1.00 0.00 C ATOM 667 CD PRO A 819 4.732 -8.549 -4.571 1.00 0.00 C ATOM 0 HA PRO A 819 6.827 -10.093 -2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.611 -10.358 -5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 819 6.168 -11.535 -4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 819 4.267 -10.222 -5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 819 4.075 -10.545 -4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.881 -7.967 -5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.804 -8.200 -4.118 1.00 0.00 H new ATOM 675 N ASP A 820 8.315 -8.252 -4.960 1.00 0.00 N ATOM 676 CA ASP A 820 9.624 -7.797 -5.418 1.00 0.00 C ATOM 677 C ASP A 820 10.346 -7.047 -4.301 1.00 0.00 C ATOM 678 O ASP A 820 11.553 -7.201 -4.102 1.00 0.00 O ATOM 679 CB ASP A 820 9.471 -6.889 -6.642 1.00 0.00 C ATOM 680 CG ASP A 820 10.577 -7.086 -7.661 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.643 -7.622 -7.299 1.00 0.00 O ATOM 682 OD2 ASP A 820 10.381 -6.699 -8.837 1.00 0.00 O ATOM 0 H ASP A 820 7.529 -7.747 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 820 10.216 -8.669 -5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.508 -7.083 -7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.463 -5.848 -6.318 1.00 0.00 H new ATOM 687 N ASP A 821 9.592 -6.245 -3.561 1.00 0.00 N ATOM 688 CA ASP A 821 10.144 -5.486 -2.447 1.00 0.00 C ATOM 689 C ASP A 821 10.521 -6.418 -1.303 1.00 0.00 C ATOM 690 O ASP A 821 11.508 -6.194 -0.600 1.00 0.00 O ATOM 691 CB ASP A 821 9.150 -4.423 -1.973 1.00 0.00 C ATOM 692 CG ASP A 821 9.407 -3.078 -2.621 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.539 -2.570 -2.505 1.00 0.00 O ATOM 694 OD2 ASP A 821 8.489 -2.530 -3.270 1.00 0.00 O ATOM 0 H ASP A 821 8.593 -6.103 -3.713 1.00 0.00 H new ATOM 0 HA ASP A 821 11.046 -4.979 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.135 -4.748 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.216 -4.322 -0.890 1.00 0.00 H new ATOM 699 N VAL A 822 9.737 -7.472 -1.127 1.00 0.00 N ATOM 700 CA VAL A 822 10.068 -8.515 -0.164 1.00 0.00 C ATOM 701 C VAL A 822 11.374 -9.193 -0.573 1.00 0.00 C ATOM 702 O VAL A 822 12.206 -9.529 0.272 1.00 0.00 O ATOM 703 CB VAL A 822 8.940 -9.571 -0.055 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.406 -10.800 0.717 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.708 -8.971 0.603 1.00 0.00 C ATOM 0 H VAL A 822 8.868 -7.628 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 822 10.182 -8.048 0.814 1.00 0.00 H new ATOM 0 HB VAL A 822 8.680 -9.885 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.592 -11.523 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 822 10.255 -11.251 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.704 -10.506 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.927 -9.728 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.963 -8.622 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.349 -8.132 0.007 1.00 0.00 H new ATOM 715 N LYS A 823 11.553 -9.371 -1.882 1.00 0.00 N ATOM 716 CA LYS A 823 12.778 -9.947 -2.423 1.00 0.00 C ATOM 717 C LYS A 823 13.998 -9.138 -1.991 1.00 0.00 C ATOM 718 O LYS A 823 14.931 -9.679 -1.398 1.00 0.00 O ATOM 719 CB LYS A 823 12.720 -9.994 -3.950 1.00 0.00 C ATOM 720 CG LYS A 823 12.264 -11.326 -4.518 1.00 0.00 C ATOM 721 CD LYS A 823 12.024 -11.235 -6.018 1.00 0.00 C ATOM 722 CE LYS A 823 13.289 -10.844 -6.765 1.00 0.00 C ATOM 723 NZ LYS A 823 13.028 -9.806 -7.797 1.00 0.00 N ATOM 0 H LYS A 823 10.860 -9.122 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 823 12.867 -10.961 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 823 12.045 -9.213 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.709 -9.763 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 823 13.017 -12.088 -4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 823 11.348 -11.642 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 823 11.664 -12.195 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 823 11.242 -10.503 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 823 14.029 -10.472 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 823 13.718 -11.727 -7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 13.892 -9.249 -7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 12.744 -10.264 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 12.266 -9.178 -7.472 1.00 0.00 H new ATOM 737 N ARG A 824 13.986 -7.837 -2.279 1.00 0.00 N ATOM 738 CA ARG A 824 15.115 -6.976 -1.923 1.00 0.00 C ATOM 739 C ARG A 824 15.275 -6.886 -0.409 1.00 0.00 C ATOM 740 O ARG A 824 16.395 -6.837 0.093 1.00 0.00 O ATOM 741 CB ARG A 824 14.981 -5.571 -2.526 1.00 0.00 C ATOM 742 CG ARG A 824 13.571 -5.016 -2.513 1.00 0.00 C ATOM 743 CD ARG A 824 13.435 -3.828 -3.447 1.00 0.00 C ATOM 744 NE ARG A 824 13.344 -4.243 -4.845 1.00 0.00 N ATOM 745 CZ ARG A 824 12.311 -3.968 -5.637 1.00 0.00 C ATOM 746 NH1 ARG A 824 11.264 -3.296 -5.168 1.00 0.00 N ATOM 747 NH2 ARG A 824 12.328 -4.361 -6.905 1.00 0.00 N ATOM 0 H ARG A 824 13.218 -7.360 -2.752 1.00 0.00 H new ATOM 0 HA ARG A 824 16.009 -7.434 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 824 15.632 -4.890 -1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 824 15.340 -5.595 -3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 824 12.869 -5.795 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 824 13.306 -4.716 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 824 12.547 -3.255 -3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 824 14.291 -3.166 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 824 14.120 -4.776 -5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 824 11.250 -2.988 -4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 824 10.475 -3.088 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 824 13.132 -4.872 -7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 824 11.537 -4.152 -7.514 1.00 0.00 H new ATOM 761 N LEU A 825 14.157 -6.879 0.316 1.00 0.00 N ATOM 762 CA LEU A 825 14.191 -6.890 1.777 1.00 0.00 C ATOM 763 C LEU A 825 15.008 -8.077 2.276 1.00 0.00 C ATOM 764 O LEU A 825 15.898 -7.930 3.110 1.00 0.00 O ATOM 765 CB LEU A 825 12.771 -6.969 2.343 1.00 0.00 C ATOM 766 CG LEU A 825 12.199 -5.650 2.864 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.681 -5.677 2.819 1.00 0.00 C ATOM 768 CD2 LEU A 825 12.685 -5.377 4.279 1.00 0.00 C ATOM 0 H LEU A 825 13.219 -6.866 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 825 14.658 -5.966 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.109 -7.351 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 825 12.762 -7.696 3.155 1.00 0.00 H new ATOM 0 HG LEU A 825 12.551 -4.844 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.289 -4.731 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.350 -5.826 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.313 -6.493 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.267 -4.434 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.364 -6.185 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 825 13.773 -5.316 4.285 1.00 0.00 H new ATOM 780 N TYR A 826 14.703 -9.246 1.732 1.00 0.00 N ATOM 781 CA TYR A 826 15.404 -10.475 2.079 1.00 0.00 C ATOM 782 C TYR A 826 16.862 -10.411 1.636 1.00 0.00 C ATOM 783 O TYR A 826 17.773 -10.797 2.372 1.00 0.00 O ATOM 784 CB TYR A 826 14.716 -11.662 1.404 1.00 0.00 C ATOM 785 CG TYR A 826 14.381 -12.800 2.339 1.00 0.00 C ATOM 786 CD1 TYR A 826 14.790 -12.786 3.666 1.00 0.00 C ATOM 787 CD2 TYR A 826 13.658 -13.894 1.887 1.00 0.00 C ATOM 788 CE1 TYR A 826 14.485 -13.828 4.516 1.00 0.00 C ATOM 789 CE2 TYR A 826 13.350 -14.943 2.729 1.00 0.00 C ATOM 790 CZ TYR A 826 13.767 -14.906 4.043 1.00 0.00 C ATOM 791 OH TYR A 826 13.476 -15.954 4.887 1.00 0.00 O ATOM 0 H TYR A 826 13.965 -9.370 1.039 1.00 0.00 H new ATOM 0 HA TYR A 826 15.376 -10.597 3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 826 13.798 -11.314 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.361 -12.038 0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 826 15.356 -11.945 4.038 1.00 0.00 H new ATOM 0 HD2 TYR A 826 13.330 -13.925 0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 826 14.807 -13.800 5.547 1.00 0.00 H new ATOM 0 HE2 TYR A 826 12.786 -15.787 2.361 1.00 0.00 H new ATOM 0 HH TYR A 826 12.964 -16.633 4.401 1.00 0.00 H new ATOM 801 N THR A 827 17.075 -9.894 0.435 1.00 0.00 N ATOM 802 CA THR A 827 18.397 -9.867 -0.167 1.00 0.00 C ATOM 803 C THR A 827 19.334 -8.963 0.625 1.00 0.00 C ATOM 804 O THR A 827 20.485 -9.315 0.877 1.00 0.00 O ATOM 805 CB THR A 827 18.319 -9.386 -1.629 1.00 0.00 C ATOM 806 OG1 THR A 827 17.356 -10.170 -2.344 1.00 0.00 O ATOM 807 CG2 THR A 827 19.667 -9.487 -2.322 1.00 0.00 C ATOM 0 H THR A 827 16.342 -9.485 -0.145 1.00 0.00 H new ATOM 0 HA THR A 827 18.793 -10.882 -0.150 1.00 0.00 H new ATOM 0 HB THR A 827 18.018 -8.338 -1.622 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.466 -9.776 -2.232 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.574 -9.139 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.394 -8.870 -1.795 1.00 0.00 H new ATOM 0 HG23 THR A 827 20.001 -10.524 -2.318 1.00 0.00 H new ATOM 815 N GLU A 828 18.822 -7.812 1.036 1.00 0.00 N ATOM 816 CA GLU A 828 19.609 -6.847 1.783 1.00 0.00 C ATOM 817 C GLU A 828 19.732 -7.257 3.243 1.00 0.00 C ATOM 818 O GLU A 828 20.684 -6.874 3.924 1.00 0.00 O ATOM 819 CB GLU A 828 18.999 -5.456 1.648 1.00 0.00 C ATOM 820 CG GLU A 828 18.953 -4.987 0.205 1.00 0.00 C ATOM 821 CD GLU A 828 20.327 -4.641 -0.336 1.00 0.00 C ATOM 822 OE1 GLU A 828 21.243 -5.492 -0.249 1.00 0.00 O ATOM 823 OE2 GLU A 828 20.500 -3.522 -0.860 1.00 0.00 O ATOM 0 H GLU A 828 17.859 -7.524 0.862 1.00 0.00 H new ATOM 0 HA GLU A 828 20.616 -6.821 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.989 -5.463 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.579 -4.748 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 828 18.508 -5.767 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 828 18.306 -4.113 0.131 1.00 0.00 H new ATOM 830 N ALA A 829 18.767 -8.037 3.725 1.00 0.00 N ATOM 831 CA ALA A 829 18.862 -8.626 5.054 1.00 0.00 C ATOM 832 C ALA A 829 20.051 -9.574 5.112 1.00 0.00 C ATOM 833 O ALA A 829 20.729 -9.679 6.134 1.00 0.00 O ATOM 834 CB ALA A 829 17.579 -9.359 5.419 1.00 0.00 C ATOM 0 H ALA A 829 17.915 -8.274 3.216 1.00 0.00 H new ATOM 0 HA ALA A 829 19.007 -7.825 5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.677 -9.789 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.744 -8.659 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.396 -10.155 4.697 1.00 0.00 H new ATOM 840 N ALA A 830 20.294 -10.262 4.001 1.00 0.00 N ATOM 841 CA ALA A 830 21.462 -11.124 3.864 1.00 0.00 C ATOM 842 C ALA A 830 22.751 -10.304 3.909 1.00 0.00 C ATOM 843 O ALA A 830 23.709 -10.667 4.594 1.00 0.00 O ATOM 844 CB ALA A 830 21.386 -11.912 2.565 1.00 0.00 C ATOM 0 H ALA A 830 19.693 -10.238 3.177 1.00 0.00 H new ATOM 0 HA ALA A 830 21.471 -11.822 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.264 -12.551 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.487 -12.528 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.352 -11.222 1.722 1.00 0.00 H new ATOM 850 N THR A 831 22.761 -9.185 3.188 1.00 0.00 N ATOM 851 CA THR A 831 23.920 -8.298 3.149 1.00 0.00 C ATOM 852 C THR A 831 24.089 -7.537 4.462 1.00 0.00 C ATOM 853 O THR A 831 25.107 -6.875 4.674 1.00 0.00 O ATOM 854 CB THR A 831 23.785 -7.276 2.004 1.00 0.00 C ATOM 855 OG1 THR A 831 22.564 -7.505 1.291 1.00 0.00 O ATOM 856 CG2 THR A 831 24.959 -7.371 1.045 1.00 0.00 C ATOM 0 H THR A 831 21.974 -8.870 2.620 1.00 0.00 H new ATOM 0 HA THR A 831 24.795 -8.927 2.986 1.00 0.00 H new ATOM 0 HB THR A 831 23.776 -6.277 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.375 -6.738 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.837 -6.638 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.886 -7.171 1.583 1.00 0.00 H new ATOM 0 HG23 THR A 831 24.998 -8.372 0.616 1.00 0.00 H new ATOM 864 N SER A 832 23.083 -7.632 5.332 1.00 0.00 N ATOM 865 CA SER A 832 23.058 -6.893 6.586 1.00 0.00 C ATOM 866 C SER A 832 23.047 -5.397 6.300 1.00 0.00 C ATOM 867 O SER A 832 23.599 -4.590 7.050 1.00 0.00 O ATOM 868 CB SER A 832 24.241 -7.281 7.484 1.00 0.00 C ATOM 869 OG SER A 832 24.540 -8.665 7.362 1.00 0.00 O ATOM 0 H SER A 832 22.265 -8.224 5.184 1.00 0.00 H new ATOM 0 HA SER A 832 22.148 -7.152 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.117 -6.691 7.213 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.007 -7.046 8.522 1.00 0.00 H new ATOM 0 HG SER A 832 25.298 -8.888 7.942 1.00 0.00 H new ATOM 875 N ASP A 833 22.404 -5.044 5.193 1.00 0.00 N ATOM 876 CA ASP A 833 22.254 -3.656 4.800 1.00 0.00 C ATOM 877 C ASP A 833 21.035 -3.073 5.487 1.00 0.00 C ATOM 878 O ASP A 833 19.991 -2.874 4.869 1.00 0.00 O ATOM 879 CB ASP A 833 22.115 -3.527 3.282 1.00 0.00 C ATOM 880 CG ASP A 833 22.650 -2.207 2.757 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.335 -1.148 3.344 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.396 -2.222 1.757 1.00 0.00 O ATOM 0 H ASP A 833 21.976 -5.710 4.549 1.00 0.00 H new ATOM 0 HA ASP A 833 23.146 -3.106 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.647 -4.348 2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.065 -3.624 3.007 1.00 0.00 H new ATOM 887 N PHE A 834 21.176 -2.830 6.778 1.00 0.00 N ATOM 888 CA PHE A 834 20.081 -2.334 7.602 1.00 0.00 C ATOM 889 C PHE A 834 19.548 -0.994 7.107 1.00 0.00 C ATOM 890 O PHE A 834 18.369 -0.692 7.279 1.00 0.00 O ATOM 891 CB PHE A 834 20.523 -2.226 9.063 1.00 0.00 C ATOM 892 CG PHE A 834 21.075 -3.512 9.615 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.239 -4.586 9.869 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.430 -3.647 9.866 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.744 -5.772 10.365 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.942 -4.830 10.359 1.00 0.00 C ATOM 897 CZ PHE A 834 22.099 -5.894 10.610 1.00 0.00 C ATOM 0 H PHE A 834 22.049 -2.970 7.286 1.00 0.00 H new ATOM 0 HA PHE A 834 19.266 -3.053 7.526 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.280 -1.447 9.149 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.673 -1.913 9.670 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.180 -4.495 9.677 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.094 -2.817 9.674 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.082 -6.602 10.561 1.00 0.00 H new ATOM 0 HE2 PHE A 834 24.001 -4.923 10.548 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.497 -6.820 10.997 1.00 0.00 H new ATOM 907 N ALA A 835 20.405 -0.197 6.487 1.00 0.00 N ATOM 908 CA ALA A 835 19.968 1.062 5.899 1.00 0.00 C ATOM 909 C ALA A 835 18.989 0.793 4.762 1.00 0.00 C ATOM 910 O ALA A 835 17.951 1.444 4.646 1.00 0.00 O ATOM 911 CB ALA A 835 21.163 1.861 5.405 1.00 0.00 C ATOM 0 H ALA A 835 21.399 -0.396 6.378 1.00 0.00 H new ATOM 0 HA ALA A 835 19.460 1.651 6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 835 20.819 2.799 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 835 21.830 2.073 6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.699 1.285 4.651 1.00 0.00 H new ATOM 917 N ALA A 836 19.295 -0.220 3.964 1.00 0.00 N ATOM 918 CA ALA A 836 18.461 -0.558 2.823 1.00 0.00 C ATOM 919 C ALA A 836 17.230 -1.297 3.306 1.00 0.00 C ATOM 920 O ALA A 836 16.130 -1.115 2.784 1.00 0.00 O ATOM 921 CB ALA A 836 19.235 -1.395 1.815 1.00 0.00 C ATOM 0 H ALA A 836 20.111 -0.819 4.086 1.00 0.00 H new ATOM 0 HA ALA A 836 18.154 0.359 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.590 -1.636 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.100 -0.833 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.571 -2.317 2.289 1.00 0.00 H new ATOM 927 N LEU A 837 17.431 -2.116 4.326 1.00 0.00 N ATOM 928 CA LEU A 837 16.346 -2.821 4.979 1.00 0.00 C ATOM 929 C LEU A 837 15.293 -1.832 5.459 1.00 0.00 C ATOM 930 O LEU A 837 14.107 -1.999 5.189 1.00 0.00 O ATOM 931 CB LEU A 837 16.889 -3.619 6.160 1.00 0.00 C ATOM 932 CG LEU A 837 17.181 -5.090 5.873 1.00 0.00 C ATOM 933 CD1 LEU A 837 18.274 -5.604 6.796 1.00 0.00 C ATOM 934 CD2 LEU A 837 15.917 -5.921 6.022 1.00 0.00 C ATOM 0 H LEU A 837 18.351 -2.309 4.722 1.00 0.00 H new ATOM 0 HA LEU A 837 15.885 -3.505 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.807 -3.144 6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.171 -3.561 6.978 1.00 0.00 H new ATOM 0 HG LEU A 837 17.531 -5.180 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 837 18.470 -6.654 6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 837 19.184 -5.025 6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 837 17.953 -5.502 7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 837 16.143 -6.967 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 837 15.538 -5.827 7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 837 15.163 -5.566 5.319 1.00 0.00 H new ATOM 946 N ALA A 838 15.745 -0.789 6.152 1.00 0.00 N ATOM 947 CA ALA A 838 14.852 0.245 6.662 1.00 0.00 C ATOM 948 C ALA A 838 14.158 0.984 5.521 1.00 0.00 C ATOM 949 O ALA A 838 12.964 1.269 5.593 1.00 0.00 O ATOM 950 CB ALA A 838 15.612 1.228 7.540 1.00 0.00 C ATOM 0 H ALA A 838 16.729 -0.639 6.373 1.00 0.00 H new ATOM 0 HA ALA A 838 14.088 -0.244 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 838 14.927 1.991 7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.053 0.697 8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.402 1.702 6.957 1.00 0.00 H new ATOM 956 N GLN A 839 14.909 1.285 4.467 1.00 0.00 N ATOM 957 CA GLN A 839 14.356 1.973 3.300 1.00 0.00 C ATOM 958 C GLN A 839 13.263 1.133 2.641 1.00 0.00 C ATOM 959 O GLN A 839 12.193 1.644 2.304 1.00 0.00 O ATOM 960 CB GLN A 839 15.457 2.281 2.281 1.00 0.00 C ATOM 961 CG GLN A 839 16.426 3.367 2.725 1.00 0.00 C ATOM 962 CD GLN A 839 15.735 4.543 3.391 1.00 0.00 C ATOM 963 OE1 GLN A 839 14.779 5.106 2.856 1.00 0.00 O ATOM 964 NE2 GLN A 839 16.221 4.926 4.557 1.00 0.00 N ATOM 0 H GLN A 839 15.902 1.065 4.394 1.00 0.00 H new ATOM 0 HA GLN A 839 13.919 2.911 3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.018 1.368 2.080 1.00 0.00 H new ATOM 0 HB3 GLN A 839 14.994 2.584 1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 839 17.150 2.939 3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 839 16.985 3.724 1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 839 17.014 4.432 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 839 15.803 5.716 5.049 1.00 0.00 H new ATOM 973 N THR A 840 13.533 -0.154 2.469 1.00 0.00 N ATOM 974 CA THR A 840 12.571 -1.062 1.857 1.00 0.00 C ATOM 975 C THR A 840 11.386 -1.321 2.791 1.00 0.00 C ATOM 976 O THR A 840 10.244 -1.425 2.341 1.00 0.00 O ATOM 977 CB THR A 840 13.230 -2.396 1.464 1.00 0.00 C ATOM 978 OG1 THR A 840 14.551 -2.157 0.960 1.00 0.00 O ATOM 979 CG2 THR A 840 12.402 -3.110 0.409 1.00 0.00 C ATOM 0 H THR A 840 14.411 -0.594 2.745 1.00 0.00 H new ATOM 0 HA THR A 840 12.204 -0.579 0.951 1.00 0.00 H new ATOM 0 HB THR A 840 13.288 -3.028 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.190 -2.157 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.884 -4.051 0.144 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.406 -3.311 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.322 -2.481 -0.478 1.00 0.00 H new ATOM 987 N ALA A 841 11.660 -1.411 4.089 1.00 0.00 N ATOM 988 CA ALA A 841 10.604 -1.549 5.086 1.00 0.00 C ATOM 989 C ALA A 841 9.683 -0.337 5.039 1.00 0.00 C ATOM 990 O ALA A 841 8.464 -0.462 5.144 1.00 0.00 O ATOM 991 CB ALA A 841 11.196 -1.711 6.480 1.00 0.00 C ATOM 0 H ALA A 841 12.604 -1.391 4.475 1.00 0.00 H new ATOM 0 HA ALA A 841 10.025 -2.443 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.391 -1.812 7.208 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.824 -2.602 6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.797 -0.835 6.724 1.00 0.00 H new ATOM 997 N HIS A 842 10.286 0.834 4.871 1.00 0.00 N ATOM 998 CA HIS A 842 9.543 2.080 4.732 1.00 0.00 C ATOM 999 C HIS A 842 8.672 2.044 3.484 1.00 0.00 C ATOM 1000 O HIS A 842 7.531 2.505 3.502 1.00 0.00 O ATOM 1001 CB HIS A 842 10.506 3.268 4.661 1.00 0.00 C ATOM 1002 CG HIS A 842 10.072 4.454 5.459 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.897 5.098 6.356 1.00 0.00 N ATOM 1004 CD2 HIS A 842 8.895 5.119 5.490 1.00 0.00 C ATOM 1005 CE1 HIS A 842 10.247 6.104 6.904 1.00 0.00 C ATOM 1006 NE2 HIS A 842 9.032 6.140 6.394 1.00 0.00 N ATOM 0 H HIS A 842 11.299 0.946 4.827 1.00 0.00 H new ATOM 0 HA HIS A 842 8.901 2.196 5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.487 2.948 5.011 1.00 0.00 H new ATOM 0 HB3 HIS A 842 10.621 3.567 3.619 1.00 0.00 H new ATOM 0 HD2 HIS A 842 8.013 4.889 4.911 1.00 0.00 H new ATOM 0 HE1 HIS A 842 10.642 6.783 7.645 1.00 0.00 H new ATOM 0 HE2 HIS A 842 8.310 6.819 6.634 1.00 0.00 H new ATOM 1015 N ARG A 843 9.221 1.494 2.405 1.00 0.00 N ATOM 1016 CA ARG A 843 8.486 1.352 1.154 1.00 0.00 C ATOM 1017 C ARG A 843 7.243 0.495 1.358 1.00 0.00 C ATOM 1018 O ARG A 843 6.137 0.889 0.991 1.00 0.00 O ATOM 1019 CB ARG A 843 9.367 0.709 0.081 1.00 0.00 C ATOM 1020 CG ARG A 843 10.412 1.640 -0.509 1.00 0.00 C ATOM 1021 CD ARG A 843 11.384 0.885 -1.405 1.00 0.00 C ATOM 1022 NE ARG A 843 10.688 0.076 -2.404 1.00 0.00 N ATOM 1023 CZ ARG A 843 10.344 0.515 -3.613 1.00 0.00 C ATOM 1024 NH1 ARG A 843 10.772 1.696 -4.041 1.00 0.00 N ATOM 1025 NH2 ARG A 843 9.615 -0.256 -4.411 1.00 0.00 N ATOM 0 H ARG A 843 10.176 1.138 2.373 1.00 0.00 H new ATOM 0 HA ARG A 843 8.189 2.348 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 843 9.870 -0.157 0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 843 8.730 0.341 -0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 843 9.920 2.425 -1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 843 10.961 2.130 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 843 12.042 1.595 -1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 843 12.017 0.242 -0.794 1.00 0.00 H new ATOM 0 HE ARG A 843 10.451 -0.885 -2.159 1.00 0.00 H new ATOM 0 HH11 ARG A 843 11.366 2.270 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 843 10.507 2.029 -4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 843 9.321 -1.181 -4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 843 9.349 0.076 -5.338 1.00 0.00 H new ATOM 1039 N LEU A 844 7.438 -0.667 1.972 1.00 0.00 N ATOM 1040 CA LEU A 844 6.354 -1.623 2.174 1.00 0.00 C ATOM 1041 C LEU A 844 5.329 -1.075 3.157 1.00 0.00 C ATOM 1042 O LEU A 844 4.128 -1.275 2.992 1.00 0.00 O ATOM 1043 CB LEU A 844 6.907 -2.956 2.682 1.00 0.00 C ATOM 1044 CG LEU A 844 6.207 -4.201 2.131 1.00 0.00 C ATOM 1045 CD1 LEU A 844 6.753 -4.552 0.758 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.372 -5.373 3.084 1.00 0.00 C ATOM 0 H LEU A 844 8.340 -0.971 2.340 1.00 0.00 H new ATOM 0 HA LEU A 844 5.862 -1.787 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 844 7.966 -3.012 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.837 -2.970 3.770 1.00 0.00 H new ATOM 0 HG LEU A 844 5.143 -3.984 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 844 6.245 -5.439 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 844 6.584 -3.719 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 844 7.822 -4.750 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 844 5.868 -6.248 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 844 7.432 -5.592 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 844 5.935 -5.121 4.050 1.00 0.00 H new ATOM 1058 N LYS A 845 5.814 -0.376 4.172 1.00 0.00 N ATOM 1059 CA LYS A 845 4.945 0.264 5.147 1.00 0.00 C ATOM 1060 C LYS A 845 4.056 1.298 4.461 1.00 0.00 C ATOM 1061 O LYS A 845 2.852 1.365 4.717 1.00 0.00 O ATOM 1062 CB LYS A 845 5.798 0.915 6.244 1.00 0.00 C ATOM 1063 CG LYS A 845 5.161 2.125 6.912 1.00 0.00 C ATOM 1064 CD LYS A 845 6.213 3.034 7.529 1.00 0.00 C ATOM 1065 CE LYS A 845 7.178 2.256 8.411 1.00 0.00 C ATOM 1066 NZ LYS A 845 8.052 3.154 9.203 1.00 0.00 N ATOM 0 H LYS A 845 6.810 -0.237 4.342 1.00 0.00 H new ATOM 0 HA LYS A 845 4.299 -0.485 5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 845 6.015 0.168 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.752 1.216 5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 845 4.580 2.684 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.466 1.793 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 845 6.768 3.538 6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 845 5.724 3.809 8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.614 1.612 9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.794 1.606 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 8.223 2.735 10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 8.959 3.280 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 7.589 4.078 9.316 1.00 0.00 H new ATOM 1080 N GLY A 846 4.656 2.077 3.567 1.00 0.00 N ATOM 1081 CA GLY A 846 3.926 3.112 2.866 1.00 0.00 C ATOM 1082 C GLY A 846 2.894 2.553 1.910 1.00 0.00 C ATOM 1083 O GLY A 846 1.755 3.019 1.882 1.00 0.00 O ATOM 0 H GLY A 846 5.642 2.007 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.431 3.757 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.628 3.735 2.312 1.00 0.00 H new ATOM 1087 N VAL A 847 3.279 1.544 1.132 1.00 0.00 N ATOM 1088 CA VAL A 847 2.372 0.952 0.153 1.00 0.00 C ATOM 1089 C VAL A 847 1.269 0.148 0.833 1.00 0.00 C ATOM 1090 O VAL A 847 0.159 0.057 0.317 1.00 0.00 O ATOM 1091 CB VAL A 847 3.107 0.056 -0.871 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.029 0.890 -1.747 1.00 0.00 C ATOM 1093 CG2 VAL A 847 3.884 -1.059 -0.186 1.00 0.00 C ATOM 0 H VAL A 847 4.207 1.122 1.160 1.00 0.00 H new ATOM 0 HA VAL A 847 1.927 1.787 -0.388 1.00 0.00 H new ATOM 0 HB VAL A 847 2.351 -0.410 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.537 0.242 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.443 1.635 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.768 1.392 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.387 -1.667 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.625 -0.626 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.197 -1.683 0.385 1.00 0.00 H new ATOM 1103 N PHE A 848 1.560 -0.427 1.993 1.00 0.00 N ATOM 1104 CA PHE A 848 0.541 -1.148 2.744 1.00 0.00 C ATOM 1105 C PHE A 848 -0.464 -0.160 3.324 1.00 0.00 C ATOM 1106 O PHE A 848 -1.680 -0.338 3.196 1.00 0.00 O ATOM 1107 CB PHE A 848 1.170 -2.005 3.846 1.00 0.00 C ATOM 1108 CG PHE A 848 1.534 -3.398 3.389 1.00 0.00 C ATOM 1109 CD1 PHE A 848 1.312 -3.797 2.077 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.098 -4.305 4.270 1.00 0.00 C ATOM 1111 CE1 PHE A 848 1.645 -5.074 1.658 1.00 0.00 C ATOM 1112 CE2 PHE A 848 2.433 -5.583 3.856 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.206 -5.968 2.548 1.00 0.00 C ATOM 0 H PHE A 848 2.482 -0.409 2.430 1.00 0.00 H new ATOM 0 HA PHE A 848 0.019 -1.824 2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.066 -1.507 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.475 -2.075 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 848 0.874 -3.103 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 848 2.279 -4.012 5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 848 1.466 -5.371 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 848 2.872 -6.279 4.555 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.467 -6.965 2.223 1.00 0.00 H new ATOM 1123 N ALA A 849 0.048 0.911 3.921 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.802 1.988 4.414 1.00 0.00 C ATOM 1125 C ALA A 849 -1.580 2.612 3.258 1.00 0.00 C ATOM 1126 O ALA A 849 -2.658 3.177 3.445 1.00 0.00 O ATOM 1127 CB ALA A 849 0.035 3.041 5.128 1.00 0.00 C ATOM 0 H ALA A 849 1.046 1.056 4.075 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.513 1.575 5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.614 3.838 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.553 2.584 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.767 3.456 4.435 1.00 0.00 H new ATOM 1133 N MET A 850 -1.015 2.493 2.064 1.00 0.00 N ATOM 1134 CA MET A 850 -1.656 2.947 0.842 1.00 0.00 C ATOM 1135 C MET A 850 -2.800 2.009 0.459 1.00 0.00 C ATOM 1136 O MET A 850 -3.916 2.451 0.190 1.00 0.00 O ATOM 1137 CB MET A 850 -0.623 3.001 -0.288 1.00 0.00 C ATOM 1138 CG MET A 850 -0.989 3.943 -1.417 1.00 0.00 C ATOM 1139 SD MET A 850 -0.122 5.520 -1.305 1.00 0.00 S ATOM 1140 CE MET A 850 0.577 5.630 -2.950 1.00 0.00 C ATOM 0 H MET A 850 -0.095 2.077 1.918 1.00 0.00 H new ATOM 0 HA MET A 850 -2.066 3.943 1.006 1.00 0.00 H new ATOM 0 HB2 MET A 850 0.338 3.305 0.127 1.00 0.00 H new ATOM 0 HB3 MET A 850 -0.492 1.998 -0.694 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.756 3.470 -2.371 1.00 0.00 H new ATOM 0 HG3 MET A 850 -2.064 4.121 -1.404 1.00 0.00 H new ATOM 0 HE1 MET A 850 1.146 6.555 -3.042 1.00 0.00 H new ATOM 0 HE2 MET A 850 1.236 4.779 -3.123 1.00 0.00 H new ATOM 0 HE3 MET A 850 -0.226 5.623 -3.688 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.517 0.710 0.460 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.504 -0.298 0.080 1.00 0.00 C ATOM 1152 C LEU A 851 -4.291 -0.786 1.295 1.00 0.00 C ATOM 1153 O LEU A 851 -4.844 -1.884 1.282 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.825 -1.484 -0.612 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.777 -1.112 -1.665 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -0.950 -2.330 -2.050 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.436 -0.508 -2.893 1.00 0.00 C ATOM 0 H LEU A 851 -1.608 0.328 0.721 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.201 0.168 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.349 -2.104 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.593 -2.095 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.112 -0.365 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.211 -2.046 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.442 -2.718 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.604 -3.099 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.672 -0.252 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -3.128 -1.230 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.981 0.392 -2.608 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.265 0.021 2.359 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.107 -0.161 3.555 1.00 0.00 C ATOM 1171 C ASN A 852 -4.872 -1.514 4.219 1.00 0.00 C ATOM 1172 O ASN A 852 -5.782 -2.130 4.783 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.611 0.102 3.284 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.258 -0.801 2.241 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.481 -0.386 1.100 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -7.576 -2.032 2.618 1.00 0.00 N ATOM 0 H ASN A 852 -3.651 0.833 2.419 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.792 0.604 4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -7.156 -0.007 4.222 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -6.729 1.138 2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -8.020 -2.669 1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -7.377 -2.341 3.569 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.624 -1.947 4.172 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.175 -3.114 4.904 1.00 0.00 C ATOM 1185 C LEU A 853 -2.540 -2.655 6.210 1.00 0.00 C ATOM 1186 O LEU A 853 -1.330 -2.778 6.404 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.157 -3.906 4.077 1.00 0.00 C ATOM 1188 CG LEU A 853 -2.727 -5.090 3.293 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.911 -4.723 1.829 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -1.818 -6.302 3.429 1.00 0.00 C ATOM 0 H LEU A 853 -2.893 -1.496 3.622 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.025 -3.764 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -1.676 -3.225 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -1.380 -4.275 4.746 1.00 0.00 H new ATOM 0 HG LEU A 853 -3.703 -5.341 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.317 -5.578 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -3.600 -3.882 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.948 -4.446 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -2.237 -7.136 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -0.829 -6.061 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -1.736 -6.579 4.480 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.369 -2.113 7.094 1.00 0.00 N ATOM 1203 CA VAL A 854 -2.893 -1.460 8.314 1.00 0.00 C ATOM 1204 C VAL A 854 -2.031 -2.386 9.183 1.00 0.00 C ATOM 1205 O VAL A 854 -0.904 -2.025 9.520 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.048 -0.886 9.160 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -3.629 0.429 9.795 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.303 -0.697 8.319 1.00 0.00 C ATOM 0 H VAL A 854 -4.384 -2.112 6.990 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.269 -0.635 7.972 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.280 -1.600 9.950 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.452 0.825 10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -2.764 0.264 10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.369 1.144 9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.100 -0.291 8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.093 -0.006 7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -5.615 -1.658 7.910 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.531 -3.585 9.569 1.00 0.00 N ATOM 1219 CA PRO A 855 -1.743 -4.544 10.361 1.00 0.00 C ATOM 1220 C PRO A 855 -0.415 -4.901 9.689 1.00 0.00 C ATOM 1221 O PRO A 855 0.614 -5.028 10.355 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.650 -5.773 10.448 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.025 -5.237 10.271 1.00 0.00 C ATOM 1224 CD PRO A 855 -3.891 -4.096 9.305 1.00 0.00 C ATOM 0 HA PRO A 855 -1.468 -4.137 11.334 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.406 -6.501 9.675 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.542 -6.278 11.408 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.697 -6.002 9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.440 -4.900 11.221 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.003 -4.428 8.273 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.649 -3.332 9.478 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.445 -5.048 8.367 1.00 0.00 N ATOM 1233 CA GLY A 856 0.769 -5.328 7.620 1.00 0.00 C ATOM 1234 C GLY A 856 1.739 -4.167 7.685 1.00 0.00 C ATOM 1235 O GLY A 856 2.942 -4.357 7.868 1.00 0.00 O ATOM 0 H GLY A 856 -1.290 -4.978 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 856 1.245 -6.224 8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.518 -5.536 6.580 1.00 0.00 H new ATOM 1239 N LYS A 857 1.204 -2.959 7.550 1.00 0.00 N ATOM 1240 CA LYS A 857 1.995 -1.742 7.672 1.00 0.00 C ATOM 1241 C LYS A 857 2.590 -1.645 9.075 1.00 0.00 C ATOM 1242 O LYS A 857 3.761 -1.306 9.235 1.00 0.00 O ATOM 1243 CB LYS A 857 1.118 -0.520 7.362 1.00 0.00 C ATOM 1244 CG LYS A 857 1.551 0.760 8.062 1.00 0.00 C ATOM 1245 CD LYS A 857 0.350 1.560 8.537 1.00 0.00 C ATOM 1246 CE LYS A 857 0.314 1.669 10.053 1.00 0.00 C ATOM 1247 NZ LYS A 857 0.712 3.021 10.519 1.00 0.00 N ATOM 0 H LYS A 857 0.216 -2.797 7.354 1.00 0.00 H new ATOM 0 HA LYS A 857 2.815 -1.769 6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 857 1.121 -0.350 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 857 0.090 -0.745 7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.187 0.515 8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 857 2.148 1.366 7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 857 0.381 2.558 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 857 -0.566 1.086 8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 857 -0.691 1.443 10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 857 0.981 0.924 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 0.320 3.191 11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 1.749 3.084 10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 0.346 3.737 9.860 1.00 0.00 H new ATOM 1261 N GLN A 858 1.781 -1.972 10.080 1.00 0.00 N ATOM 1262 CA GLN A 858 2.228 -1.968 11.470 1.00 0.00 C ATOM 1263 C GLN A 858 3.408 -2.922 11.648 1.00 0.00 C ATOM 1264 O GLN A 858 4.353 -2.630 12.387 1.00 0.00 O ATOM 1265 CB GLN A 858 1.061 -2.345 12.401 1.00 0.00 C ATOM 1266 CG GLN A 858 1.365 -3.463 13.393 1.00 0.00 C ATOM 1267 CD GLN A 858 0.919 -3.128 14.800 1.00 0.00 C ATOM 1268 OE1 GLN A 858 1.612 -2.418 15.533 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.236 -3.641 15.192 1.00 0.00 N ATOM 0 H GLN A 858 0.806 -2.245 9.956 1.00 0.00 H new ATOM 0 HA GLN A 858 2.563 -0.965 11.735 1.00 0.00 H new ATOM 0 HB2 GLN A 858 0.758 -1.458 12.957 1.00 0.00 H new ATOM 0 HB3 GLN A 858 0.210 -2.644 11.789 1.00 0.00 H new ATOM 0 HG2 GLN A 858 0.870 -4.378 13.067 1.00 0.00 H new ATOM 0 HG3 GLN A 858 2.437 -3.663 13.393 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -0.778 -4.223 14.554 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -0.584 -3.454 16.132 1.00 0.00 H new ATOM 1278 N LEU A 859 3.356 -4.057 10.956 1.00 0.00 N ATOM 1279 CA LEU A 859 4.450 -5.016 10.985 1.00 0.00 C ATOM 1280 C LEU A 859 5.708 -4.403 10.381 1.00 0.00 C ATOM 1281 O LEU A 859 6.798 -4.543 10.927 1.00 0.00 O ATOM 1282 CB LEU A 859 4.072 -6.295 10.230 1.00 0.00 C ATOM 1283 CG LEU A 859 3.071 -7.206 10.946 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.542 -8.270 9.997 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.712 -7.850 12.165 1.00 0.00 C ATOM 0 H LEU A 859 2.568 -4.332 10.370 1.00 0.00 H new ATOM 0 HA LEU A 859 4.648 -5.275 12.025 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.656 -6.016 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.981 -6.864 10.035 1.00 0.00 H new ATOM 0 HG LEU A 859 2.232 -6.596 11.280 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.832 -8.907 10.524 1.00 0.00 H new ATOM 0 HD12 LEU A 859 2.043 -7.791 9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.371 -8.876 9.631 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.985 -8.494 12.661 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.571 -8.445 11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.040 -7.074 12.856 1.00 0.00 H new ATOM 1297 N CYS A 860 5.544 -3.700 9.268 1.00 0.00 N ATOM 1298 CA CYS A 860 6.668 -3.054 8.596 1.00 0.00 C ATOM 1299 C CYS A 860 7.280 -1.955 9.468 1.00 0.00 C ATOM 1300 O CYS A 860 8.495 -1.761 9.471 1.00 0.00 O ATOM 1301 CB CYS A 860 6.224 -2.477 7.255 1.00 0.00 C ATOM 1302 SG CYS A 860 5.337 -3.651 6.204 1.00 0.00 S ATOM 0 H CYS A 860 4.643 -3.561 8.810 1.00 0.00 H new ATOM 0 HA CYS A 860 7.433 -3.811 8.421 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.584 -1.613 7.437 1.00 0.00 H new ATOM 0 HB3 CYS A 860 7.101 -2.116 6.718 1.00 0.00 H new ATOM 0 HG CYS A 860 4.281 -4.081 6.829 1.00 0.00 H new ATOM 1308 N GLU A 861 6.436 -1.241 10.208 1.00 0.00 N ATOM 1309 CA GLU A 861 6.910 -0.209 11.126 1.00 0.00 C ATOM 1310 C GLU A 861 7.755 -0.836 12.232 1.00 0.00 C ATOM 1311 O GLU A 861 8.866 -0.384 12.522 1.00 0.00 O ATOM 1312 CB GLU A 861 5.730 0.548 11.742 1.00 0.00 C ATOM 1313 CG GLU A 861 4.780 1.147 10.718 1.00 0.00 C ATOM 1314 CD GLU A 861 4.426 2.587 11.018 1.00 0.00 C ATOM 1315 OE1 GLU A 861 5.311 3.457 10.901 1.00 0.00 O ATOM 1316 OE2 GLU A 861 3.256 2.854 11.370 1.00 0.00 O ATOM 0 H GLU A 861 5.423 -1.357 10.190 1.00 0.00 H new ATOM 0 HA GLU A 861 7.522 0.495 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 861 5.172 -0.131 12.387 1.00 0.00 H new ATOM 0 HB3 GLU A 861 6.115 1.346 12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 861 5.235 1.088 9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.867 0.553 10.685 1.00 0.00 H new ATOM 1323 N THR A 862 7.228 -1.893 12.834 1.00 0.00 N ATOM 1324 CA THR A 862 7.950 -2.614 13.868 1.00 0.00 C ATOM 1325 C THR A 862 9.209 -3.264 13.292 1.00 0.00 C ATOM 1326 O THR A 862 10.228 -3.372 13.973 1.00 0.00 O ATOM 1327 CB THR A 862 7.056 -3.685 14.520 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.718 -3.180 14.660 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.593 -4.088 15.886 1.00 0.00 C ATOM 0 H THR A 862 6.303 -2.269 12.623 1.00 0.00 H new ATOM 0 HA THR A 862 8.243 -1.895 14.634 1.00 0.00 H new ATOM 0 HB THR A 862 7.053 -4.565 13.877 1.00 0.00 H new ATOM 0 HG1 THR A 862 5.279 -3.171 13.784 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.943 -4.845 16.324 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.599 -4.493 15.776 1.00 0.00 H new ATOM 0 HG23 THR A 862 7.622 -3.215 16.537 1.00 0.00 H new ATOM 1337 N LEU A 863 9.133 -3.680 12.030 1.00 0.00 N ATOM 1338 CA LEU A 863 10.289 -4.214 11.323 1.00 0.00 C ATOM 1339 C LEU A 863 11.391 -3.165 11.253 1.00 0.00 C ATOM 1340 O LEU A 863 12.550 -3.460 11.528 1.00 0.00 O ATOM 1341 CB LEU A 863 9.904 -4.654 9.908 1.00 0.00 C ATOM 1342 CG LEU A 863 10.348 -6.067 9.518 1.00 0.00 C ATOM 1343 CD1 LEU A 863 9.869 -6.407 8.116 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.859 -6.200 9.607 1.00 0.00 C ATOM 0 H LEU A 863 8.277 -3.656 11.476 1.00 0.00 H new ATOM 0 HA LEU A 863 10.653 -5.083 11.871 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.820 -4.591 9.808 1.00 0.00 H new ATOM 0 HB3 LEU A 863 10.331 -3.947 9.197 1.00 0.00 H new ATOM 0 HG LEU A 863 9.900 -6.771 10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.193 -7.414 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 863 8.781 -6.356 8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 863 10.289 -5.695 7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 863 12.152 -7.211 9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.328 -5.485 8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 863 12.182 -5.999 10.628 1.00 0.00 H new ATOM 1356 N GLU A 864 11.014 -1.939 10.900 1.00 0.00 N ATOM 1357 CA GLU A 864 11.954 -0.823 10.851 1.00 0.00 C ATOM 1358 C GLU A 864 12.642 -0.648 12.200 1.00 0.00 C ATOM 1359 O GLU A 864 13.853 -0.443 12.272 1.00 0.00 O ATOM 1360 CB GLU A 864 11.230 0.469 10.467 1.00 0.00 C ATOM 1361 CG GLU A 864 11.906 1.241 9.349 1.00 0.00 C ATOM 1362 CD GLU A 864 11.274 2.598 9.122 1.00 0.00 C ATOM 1363 OE1 GLU A 864 11.600 3.547 9.864 1.00 0.00 O ATOM 1364 OE2 GLU A 864 10.430 2.718 8.212 1.00 0.00 O ATOM 0 H GLU A 864 10.058 -1.693 10.642 1.00 0.00 H new ATOM 0 HA GLU A 864 12.708 -1.044 10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 864 10.211 0.227 10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 864 11.158 1.109 11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.962 1.370 9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 864 11.855 0.661 8.428 1.00 0.00 H new ATOM 1371 N HIS A 865 11.862 -0.747 13.269 1.00 0.00 N ATOM 1372 CA HIS A 865 12.405 -0.642 14.618 1.00 0.00 C ATOM 1373 C HIS A 865 13.350 -1.803 14.918 1.00 0.00 C ATOM 1374 O HIS A 865 14.398 -1.609 15.525 1.00 0.00 O ATOM 1375 CB HIS A 865 11.277 -0.605 15.649 1.00 0.00 C ATOM 1376 CG HIS A 865 11.682 0.008 16.953 1.00 0.00 C ATOM 1377 ND1 HIS A 865 12.112 1.308 17.071 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.711 -0.511 18.202 1.00 0.00 C ATOM 1379 CE1 HIS A 865 12.389 1.566 18.335 1.00 0.00 C ATOM 1380 NE2 HIS A 865 12.152 0.479 19.042 1.00 0.00 N ATOM 0 H HIS A 865 10.854 -0.899 13.229 1.00 0.00 H new ATOM 0 HA HIS A 865 12.970 0.288 14.680 1.00 0.00 H new ATOM 0 HB2 HIS A 865 10.438 -0.044 15.238 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.925 -1.621 15.828 1.00 0.00 H new ATOM 0 HD2 HIS A 865 11.438 -1.517 18.485 1.00 0.00 H new ATOM 0 HE1 HIS A 865 12.749 2.507 18.724 1.00 0.00 H new ATOM 0 HE2 HIS A 865 12.276 0.389 20.050 1.00 0.00 H new ATOM 1389 N LEU A 866 12.981 -3.003 14.486 1.00 0.00 N ATOM 1390 CA LEU A 866 13.819 -4.182 14.690 1.00 0.00 C ATOM 1391 C LEU A 866 15.110 -4.059 13.887 1.00 0.00 C ATOM 1392 O LEU A 866 16.173 -4.513 14.315 1.00 0.00 O ATOM 1393 CB LEU A 866 13.071 -5.452 14.280 1.00 0.00 C ATOM 1394 CG LEU A 866 11.927 -5.860 15.209 1.00 0.00 C ATOM 1395 CD1 LEU A 866 11.028 -6.876 14.526 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.469 -6.420 16.514 1.00 0.00 C ATOM 0 H LEU A 866 12.108 -3.187 13.992 1.00 0.00 H new ATOM 0 HA LEU A 866 14.064 -4.247 15.750 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.670 -5.311 13.276 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.785 -6.274 14.226 1.00 0.00 H new ATOM 0 HG LEU A 866 11.337 -4.973 15.438 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.219 -7.157 15.200 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.610 -6.440 13.619 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.609 -7.761 14.269 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.639 -6.704 17.161 1.00 0.00 H new ATOM 0 HD22 LEU A 866 13.084 -7.296 16.307 1.00 0.00 H new ATOM 0 HD23 LEU A 866 13.074 -5.662 17.012 1.00 0.00 H new ATOM 1408 N ILE A 867 15.010 -3.428 12.729 1.00 0.00 N ATOM 1409 CA ILE A 867 16.166 -3.202 11.877 1.00 0.00 C ATOM 1410 C ILE A 867 17.107 -2.209 12.547 1.00 0.00 C ATOM 1411 O ILE A 867 18.325 -2.393 12.570 1.00 0.00 O ATOM 1412 CB ILE A 867 15.739 -2.670 10.488 1.00 0.00 C ATOM 1413 CG1 ILE A 867 15.151 -3.798 9.638 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.909 -2.020 9.763 1.00 0.00 C ATOM 1415 CD1 ILE A 867 14.131 -3.325 8.622 1.00 0.00 C ATOM 0 H ILE A 867 14.135 -3.061 12.356 1.00 0.00 H new ATOM 0 HA ILE A 867 16.679 -4.153 11.732 1.00 0.00 H new ATOM 0 HB ILE A 867 14.973 -1.911 10.644 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.961 -4.308 9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.683 -4.531 10.295 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.578 -1.656 8.790 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.285 -1.185 10.354 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.704 -2.753 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.758 -4.179 8.056 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.302 -2.841 9.137 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.599 -2.615 7.940 1.00 0.00 H new ATOM 1427 N ARG A 868 16.516 -1.173 13.120 1.00 0.00 N ATOM 1428 CA ARG A 868 17.260 -0.142 13.817 1.00 0.00 C ATOM 1429 C ARG A 868 17.894 -0.706 15.093 1.00 0.00 C ATOM 1430 O ARG A 868 18.986 -0.301 15.489 1.00 0.00 O ATOM 1431 CB ARG A 868 16.318 1.029 14.123 1.00 0.00 C ATOM 1432 CG ARG A 868 15.999 1.225 15.590 1.00 0.00 C ATOM 1433 CD ARG A 868 16.573 2.533 16.090 1.00 0.00 C ATOM 1434 NE ARG A 868 15.624 3.282 16.906 1.00 0.00 N ATOM 1435 CZ ARG A 868 14.849 4.255 16.437 1.00 0.00 C ATOM 1436 NH1 ARG A 868 14.939 4.626 15.162 1.00 0.00 N ATOM 1437 NH2 ARG A 868 14.009 4.873 17.252 1.00 0.00 N ATOM 0 H ARG A 868 15.507 -1.025 13.114 1.00 0.00 H new ATOM 0 HA ARG A 868 18.074 0.218 13.188 1.00 0.00 H new ATOM 0 HB2 ARG A 868 16.765 1.946 13.738 1.00 0.00 H new ATOM 0 HB3 ARG A 868 15.385 0.877 13.581 1.00 0.00 H new ATOM 0 HG2 ARG A 868 14.919 1.216 15.737 1.00 0.00 H new ATOM 0 HG3 ARG A 868 16.407 0.397 16.170 1.00 0.00 H new ATOM 0 HD2 ARG A 868 17.471 2.333 16.674 1.00 0.00 H new ATOM 0 HD3 ARG A 868 16.876 3.143 15.239 1.00 0.00 H new ATOM 0 HE ARG A 868 15.551 3.045 17.895 1.00 0.00 H new ATOM 0 HH11 ARG A 868 15.604 4.163 14.542 1.00 0.00 H new ATOM 0 HH12 ARG A 868 14.343 5.373 14.805 1.00 0.00 H new ATOM 0 HH21 ARG A 868 13.959 4.602 18.234 1.00 0.00 H new ATOM 0 HH22 ARG A 868 13.412 5.620 16.898 1.00 0.00 H new ATOM 1451 N GLU A 869 17.204 -1.656 15.718 1.00 0.00 N ATOM 1452 CA GLU A 869 17.681 -2.304 16.916 1.00 0.00 C ATOM 1453 C GLU A 869 18.759 -3.335 16.581 1.00 0.00 C ATOM 1454 O GLU A 869 19.475 -3.811 17.465 1.00 0.00 O ATOM 1455 CB GLU A 869 16.497 -2.973 17.603 1.00 0.00 C ATOM 1456 CG GLU A 869 16.774 -3.348 19.031 1.00 0.00 C ATOM 1457 CD GLU A 869 15.983 -2.522 20.023 1.00 0.00 C ATOM 1458 OE1 GLU A 869 15.097 -1.753 19.596 1.00 0.00 O ATOM 1459 OE2 GLU A 869 16.249 -2.631 21.239 1.00 0.00 O ATOM 0 H GLU A 869 16.296 -1.993 15.399 1.00 0.00 H new ATOM 0 HA GLU A 869 18.128 -1.565 17.581 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.640 -2.301 17.571 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.221 -3.869 17.046 1.00 0.00 H new ATOM 0 HG2 GLU A 869 16.540 -4.403 19.176 1.00 0.00 H new ATOM 0 HG3 GLU A 869 17.838 -3.227 19.233 1.00 0.00 H new ATOM 1466 N LYS A 870 18.874 -3.647 15.288 1.00 0.00 N ATOM 1467 CA LYS A 870 19.810 -4.651 14.793 1.00 0.00 C ATOM 1468 C LYS A 870 19.424 -6.030 15.313 1.00 0.00 C ATOM 1469 O LYS A 870 20.272 -6.804 15.761 1.00 0.00 O ATOM 1470 CB LYS A 870 21.257 -4.310 15.181 1.00 0.00 C ATOM 1471 CG LYS A 870 21.666 -2.886 14.839 1.00 0.00 C ATOM 1472 CD LYS A 870 21.817 -2.694 13.341 1.00 0.00 C ATOM 1473 CE LYS A 870 21.350 -1.315 12.905 1.00 0.00 C ATOM 1474 NZ LYS A 870 22.439 -0.306 12.987 1.00 0.00 N ATOM 0 H LYS A 870 18.317 -3.207 14.555 1.00 0.00 H new ATOM 0 HA LYS A 870 19.755 -4.657 13.704 1.00 0.00 H new ATOM 0 HB2 LYS A 870 21.382 -4.466 16.252 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.931 -5.002 14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 870 20.920 -2.190 15.222 1.00 0.00 H new ATOM 0 HG3 LYS A 870 22.608 -2.648 15.334 1.00 0.00 H new ATOM 0 HD2 LYS A 870 22.861 -2.831 13.059 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.242 -3.457 12.816 1.00 0.00 H new ATOM 0 HE2 LYS A 870 20.978 -1.365 11.881 1.00 0.00 H new ATOM 0 HE3 LYS A 870 20.516 -1.000 13.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 22.078 0.620 12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 22.777 -0.239 13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 23.225 -0.593 12.369 1.00 0.00 H new ATOM 1488 N ASP A 871 18.130 -6.318 15.264 1.00 0.00 N ATOM 1489 CA ASP A 871 17.609 -7.614 15.678 1.00 0.00 C ATOM 1490 C ASP A 871 17.356 -8.478 14.451 1.00 0.00 C ATOM 1491 O ASP A 871 16.258 -8.481 13.894 1.00 0.00 O ATOM 1492 CB ASP A 871 16.313 -7.440 16.474 1.00 0.00 C ATOM 1493 CG ASP A 871 15.972 -8.654 17.318 1.00 0.00 C ATOM 1494 OD1 ASP A 871 15.435 -9.639 16.768 1.00 0.00 O ATOM 1495 OD2 ASP A 871 16.220 -8.627 18.543 1.00 0.00 O ATOM 0 H ASP A 871 17.417 -5.665 14.939 1.00 0.00 H new ATOM 0 HA ASP A 871 18.344 -8.102 16.318 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.404 -6.568 17.121 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.493 -7.241 15.784 1.00 0.00 H new ATOM 1500 N VAL A 872 18.388 -9.197 14.029 1.00 0.00 N ATOM 1501 CA VAL A 872 18.328 -9.999 12.807 1.00 0.00 C ATOM 1502 C VAL A 872 17.211 -11.049 12.859 1.00 0.00 C ATOM 1503 O VAL A 872 16.420 -11.149 11.918 1.00 0.00 O ATOM 1504 CB VAL A 872 19.673 -10.694 12.502 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.713 -11.163 11.053 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.839 -9.762 12.794 1.00 0.00 C ATOM 0 H VAL A 872 19.283 -9.243 14.516 1.00 0.00 H new ATOM 0 HA VAL A 872 18.108 -9.297 12.003 1.00 0.00 H new ATOM 0 HB VAL A 872 19.763 -11.566 13.150 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.667 -11.651 10.855 1.00 0.00 H new ATOM 0 HG12 VAL A 872 18.901 -11.869 10.876 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.599 -10.306 10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.777 -10.272 12.572 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.756 -8.870 12.174 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.822 -9.476 13.846 1.00 0.00 H new ATOM 1516 N PRO A 873 17.127 -11.860 13.942 1.00 0.00 N ATOM 1517 CA PRO A 873 16.044 -12.833 14.109 1.00 0.00 C ATOM 1518 C PRO A 873 14.664 -12.203 13.932 1.00 0.00 C ATOM 1519 O PRO A 873 13.813 -12.752 13.238 1.00 0.00 O ATOM 1520 CB PRO A 873 16.217 -13.349 15.545 1.00 0.00 C ATOM 1521 CG PRO A 873 17.237 -12.462 16.178 1.00 0.00 C ATOM 1522 CD PRO A 873 18.078 -11.928 15.060 1.00 0.00 C ATOM 0 HA PRO A 873 16.099 -13.621 13.358 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.274 -13.311 16.090 1.00 0.00 H new ATOM 0 HB3 PRO A 873 16.546 -14.388 15.550 1.00 0.00 H new ATOM 0 HG2 PRO A 873 16.760 -11.651 16.728 1.00 0.00 H new ATOM 0 HG3 PRO A 873 17.846 -13.017 16.892 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.493 -10.949 15.298 1.00 0.00 H new ATOM 0 HD3 PRO A 873 18.919 -12.585 14.837 1.00 0.00 H new ATOM 1530 N GLY A 874 14.451 -11.043 14.546 1.00 0.00 N ATOM 1531 CA GLY A 874 13.180 -10.355 14.410 1.00 0.00 C ATOM 1532 C GLY A 874 12.901 -9.940 12.979 1.00 0.00 C ATOM 1533 O GLY A 874 11.770 -10.057 12.502 1.00 0.00 O ATOM 0 H GLY A 874 15.135 -10.568 15.135 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.378 -11.005 14.760 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.177 -9.472 15.049 1.00 0.00 H new ATOM 1537 N ILE A 875 13.938 -9.468 12.295 1.00 0.00 N ATOM 1538 CA ILE A 875 13.816 -9.028 10.909 1.00 0.00 C ATOM 1539 C ILE A 875 13.334 -10.169 10.015 1.00 0.00 C ATOM 1540 O ILE A 875 12.319 -10.038 9.328 1.00 0.00 O ATOM 1541 CB ILE A 875 15.157 -8.478 10.369 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.532 -7.187 11.102 1.00 0.00 C ATOM 1543 CG2 ILE A 875 15.074 -8.230 8.868 1.00 0.00 C ATOM 1544 CD1 ILE A 875 17.004 -6.845 11.014 1.00 0.00 C ATOM 0 H ILE A 875 14.878 -9.380 12.681 1.00 0.00 H new ATOM 0 HA ILE A 875 13.080 -8.225 10.891 1.00 0.00 H new ATOM 0 HB ILE A 875 15.932 -9.223 10.549 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.951 -6.363 10.689 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.251 -7.280 12.151 1.00 0.00 H new ATOM 0 HG21 ILE A 875 16.028 -7.843 8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.846 -9.165 8.357 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.288 -7.503 8.662 1.00 0.00 H new ATOM 0 HD11 ILE A 875 17.195 -5.919 11.556 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.592 -7.651 11.454 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.286 -6.719 9.969 1.00 0.00 H new ATOM 1556 N GLU A 876 14.045 -11.294 10.047 1.00 0.00 N ATOM 1557 CA GLU A 876 13.700 -12.432 9.197 1.00 0.00 C ATOM 1558 C GLU A 876 12.344 -13.013 9.591 1.00 0.00 C ATOM 1559 O GLU A 876 11.582 -13.469 8.737 1.00 0.00 O ATOM 1560 CB GLU A 876 14.784 -13.514 9.261 1.00 0.00 C ATOM 1561 CG GLU A 876 15.069 -14.016 10.664 1.00 0.00 C ATOM 1562 CD GLU A 876 14.703 -15.474 10.845 1.00 0.00 C ATOM 1563 OE1 GLU A 876 13.494 -15.798 10.847 1.00 0.00 O ATOM 1564 OE2 GLU A 876 15.620 -16.304 10.990 1.00 0.00 O ATOM 0 H GLU A 876 14.857 -11.442 10.647 1.00 0.00 H new ATOM 0 HA GLU A 876 13.636 -12.073 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.480 -14.356 8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.705 -13.118 8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.127 -13.880 10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 876 14.512 -13.413 11.382 1.00 0.00 H new ATOM 1571 N LYS A 877 12.040 -12.977 10.885 1.00 0.00 N ATOM 1572 CA LYS A 877 10.773 -13.485 11.385 1.00 0.00 C ATOM 1573 C LYS A 877 9.619 -12.653 10.848 1.00 0.00 C ATOM 1574 O LYS A 877 8.602 -13.193 10.415 1.00 0.00 O ATOM 1575 CB LYS A 877 10.749 -13.481 12.915 1.00 0.00 C ATOM 1576 CG LYS A 877 11.487 -14.655 13.534 1.00 0.00 C ATOM 1577 CD LYS A 877 10.829 -15.117 14.819 1.00 0.00 C ATOM 1578 CE LYS A 877 10.062 -16.412 14.612 1.00 0.00 C ATOM 1579 NZ LYS A 877 10.961 -17.544 14.261 1.00 0.00 N ATOM 0 H LYS A 877 12.657 -12.600 11.605 1.00 0.00 H new ATOM 0 HA LYS A 877 10.662 -14.513 11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.192 -12.553 13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 877 9.713 -13.493 13.255 1.00 0.00 H new ATOM 0 HG2 LYS A 877 11.517 -15.481 12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 877 12.520 -14.370 13.736 1.00 0.00 H new ATOM 0 HD2 LYS A 877 11.588 -15.261 15.588 1.00 0.00 H new ATOM 0 HD3 LYS A 877 10.151 -14.344 15.181 1.00 0.00 H new ATOM 0 HE2 LYS A 877 9.511 -16.656 15.520 1.00 0.00 H new ATOM 0 HE3 LYS A 877 9.326 -16.275 13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 10.536 -18.437 14.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 11.095 -17.574 13.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 11.882 -17.413 14.726 1.00 0.00 H new ATOM 1593 N TYR A 878 9.792 -11.340 10.859 1.00 0.00 N ATOM 1594 CA TYR A 878 8.768 -10.433 10.364 1.00 0.00 C ATOM 1595 C TYR A 878 8.635 -10.544 8.850 1.00 0.00 C ATOM 1596 O TYR A 878 7.542 -10.409 8.306 1.00 0.00 O ATOM 1597 CB TYR A 878 9.083 -8.996 10.770 1.00 0.00 C ATOM 1598 CG TYR A 878 8.418 -8.577 12.059 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.365 -9.439 13.147 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.842 -7.321 12.190 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.757 -9.062 14.327 1.00 0.00 C ATOM 1602 CE2 TYR A 878 7.233 -6.937 13.367 1.00 0.00 C ATOM 1603 CZ TYR A 878 7.193 -7.811 14.432 1.00 0.00 C ATOM 1604 OH TYR A 878 6.587 -7.432 15.606 1.00 0.00 O ATOM 0 H TYR A 878 10.633 -10.878 11.206 1.00 0.00 H new ATOM 0 HA TYR A 878 7.816 -10.717 10.812 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.162 -8.884 10.874 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.768 -8.324 9.972 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.807 -10.421 13.068 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.871 -6.634 11.358 1.00 0.00 H new ATOM 0 HE1 TYR A 878 7.724 -9.745 15.163 1.00 0.00 H new ATOM 0 HE2 TYR A 878 6.790 -5.956 13.453 1.00 0.00 H new ATOM 0 HH TYR A 878 7.020 -7.886 16.359 1.00 0.00 H new ATOM 1614 N ILE A 879 9.750 -10.793 8.174 1.00 0.00 N ATOM 1615 CA ILE A 879 9.724 -11.035 6.738 1.00 0.00 C ATOM 1616 C ILE A 879 8.873 -12.268 6.437 1.00 0.00 C ATOM 1617 O ILE A 879 8.043 -12.259 5.528 1.00 0.00 O ATOM 1618 CB ILE A 879 11.150 -11.221 6.165 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.895 -9.883 6.148 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.101 -11.813 4.761 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.384 -10.019 5.910 1.00 0.00 C ATOM 0 H ILE A 879 10.678 -10.832 8.595 1.00 0.00 H new ATOM 0 HA ILE A 879 9.285 -10.161 6.257 1.00 0.00 H new ATOM 0 HB ILE A 879 11.686 -11.917 6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.468 -9.249 5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.733 -9.375 7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.116 -11.934 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.608 -12.784 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.545 -11.145 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.844 -9.031 5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.825 -10.626 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.556 -10.498 4.946 1.00 0.00 H new ATOM 1633 N SER A 880 9.059 -13.313 7.238 1.00 0.00 N ATOM 1634 CA SER A 880 8.287 -14.541 7.086 1.00 0.00 C ATOM 1635 C SER A 880 6.813 -14.305 7.439 1.00 0.00 C ATOM 1636 O SER A 880 5.918 -14.940 6.879 1.00 0.00 O ATOM 1637 CB SER A 880 8.877 -15.646 7.969 1.00 0.00 C ATOM 1638 OG SER A 880 10.299 -15.666 7.891 1.00 0.00 O ATOM 0 H SER A 880 9.738 -13.334 7.999 1.00 0.00 H new ATOM 0 HA SER A 880 8.340 -14.856 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.569 -15.491 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 880 8.480 -16.613 7.660 1.00 0.00 H new ATOM 0 HG SER A 880 10.669 -14.988 8.494 1.00 0.00 H new ATOM 1644 N ASP A 881 6.567 -13.381 8.362 1.00 0.00 N ATOM 1645 CA ASP A 881 5.203 -13.029 8.763 1.00 0.00 C ATOM 1646 C ASP A 881 4.524 -12.204 7.675 1.00 0.00 C ATOM 1647 O ASP A 881 3.324 -12.318 7.445 1.00 0.00 O ATOM 1648 CB ASP A 881 5.220 -12.235 10.069 1.00 0.00 C ATOM 1649 CG ASP A 881 4.931 -13.085 11.289 1.00 0.00 C ATOM 1650 OD1 ASP A 881 4.268 -14.137 11.156 1.00 0.00 O ATOM 1651 OD2 ASP A 881 5.367 -12.704 12.396 1.00 0.00 O ATOM 0 H ASP A 881 7.295 -12.859 8.850 1.00 0.00 H new ATOM 0 HA ASP A 881 4.643 -13.952 8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.195 -11.762 10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 881 4.483 -11.434 10.009 1.00 0.00 H new ATOM 1656 N ILE A 882 5.303 -11.364 7.012 1.00 0.00 N ATOM 1657 CA ILE A 882 4.812 -10.600 5.875 1.00 0.00 C ATOM 1658 C ILE A 882 4.529 -11.541 4.706 1.00 0.00 C ATOM 1659 O ILE A 882 3.585 -11.334 3.942 1.00 0.00 O ATOM 1660 CB ILE A 882 5.819 -9.496 5.463 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.630 -8.264 6.351 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.675 -9.115 3.991 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.846 -7.368 6.405 1.00 0.00 C ATOM 0 H ILE A 882 6.282 -11.193 7.243 1.00 0.00 H new ATOM 0 HA ILE A 882 3.885 -10.104 6.164 1.00 0.00 H new ATOM 0 HB ILE A 882 6.825 -9.893 5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.780 -7.688 5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 882 5.383 -8.589 7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 882 6.399 -8.339 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.856 -9.992 3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.667 -8.743 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.641 -6.515 7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.693 -7.928 6.800 1.00 0.00 H new ATOM 0 HD13 ILE A 882 7.082 -7.014 5.402 1.00 0.00 H new ATOM 1675 N ASP A 883 5.331 -12.595 4.604 1.00 0.00 N ATOM 1676 CA ASP A 883 5.215 -13.551 3.513 1.00 0.00 C ATOM 1677 C ASP A 883 3.947 -14.353 3.679 1.00 0.00 C ATOM 1678 O ASP A 883 3.166 -14.511 2.745 1.00 0.00 O ATOM 1679 CB ASP A 883 6.432 -14.478 3.497 1.00 0.00 C ATOM 1680 CG ASP A 883 6.141 -15.865 2.943 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.185 -16.048 1.709 1.00 0.00 O ATOM 1682 OD2 ASP A 883 5.891 -16.792 3.745 1.00 0.00 O ATOM 0 H ASP A 883 6.073 -12.808 5.270 1.00 0.00 H new ATOM 0 HA ASP A 883 5.176 -13.015 2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.220 -14.017 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 883 6.816 -14.576 4.513 1.00 0.00 H new ATOM 1687 N SER A 884 3.747 -14.830 4.891 1.00 0.00 N ATOM 1688 CA SER A 884 2.561 -15.577 5.239 1.00 0.00 C ATOM 1689 C SER A 884 1.327 -14.695 5.073 1.00 0.00 C ATOM 1690 O SER A 884 0.288 -15.137 4.571 1.00 0.00 O ATOM 1691 CB SER A 884 2.697 -16.069 6.675 1.00 0.00 C ATOM 1692 OG SER A 884 3.261 -15.073 7.501 1.00 0.00 O ATOM 0 H SER A 884 4.404 -14.709 5.661 1.00 0.00 H new ATOM 0 HA SER A 884 2.448 -16.437 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 884 1.718 -16.354 7.060 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.321 -16.962 6.699 1.00 0.00 H new ATOM 0 HG SER A 884 4.237 -15.091 7.416 1.00 0.00 H new ATOM 1698 N TYR A 885 1.480 -13.427 5.448 1.00 0.00 N ATOM 1699 CA TYR A 885 0.394 -12.455 5.366 1.00 0.00 C ATOM 1700 C TYR A 885 -0.027 -12.262 3.926 1.00 0.00 C ATOM 1701 O TYR A 885 -1.191 -12.438 3.564 1.00 0.00 O ATOM 1702 CB TYR A 885 0.840 -11.105 5.926 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.258 -10.363 6.652 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.986 -10.971 7.665 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.573 -9.055 6.309 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.998 -10.296 8.319 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.584 -8.375 6.956 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.293 -8.999 7.960 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.304 -8.325 8.602 1.00 0.00 O ATOM 0 H TYR A 885 2.353 -13.047 5.814 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.443 -12.836 5.951 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.675 -11.261 6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.208 -10.485 5.109 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.758 -11.988 7.946 1.00 0.00 H new ATOM 0 HD2 TYR A 885 -0.018 -8.563 5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.555 -10.782 9.107 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.819 -7.358 6.677 1.00 0.00 H new ATOM 0 HH TYR A 885 -3.383 -8.653 9.522 1.00 0.00 H new ATOM 1719 N VAL A 886 0.947 -11.906 3.113 1.00 0.00 N ATOM 1720 CA VAL A 886 0.728 -11.669 1.707 1.00 0.00 C ATOM 1721 C VAL A 886 0.256 -12.951 1.018 1.00 0.00 C ATOM 1722 O VAL A 886 -0.546 -12.904 0.090 1.00 0.00 O ATOM 1723 CB VAL A 886 2.020 -11.105 1.068 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.457 -11.885 -0.166 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.838 -9.637 0.732 1.00 0.00 C ATOM 0 H VAL A 886 1.913 -11.774 3.413 1.00 0.00 H new ATOM 0 HA VAL A 886 -0.060 -10.927 1.577 1.00 0.00 H new ATOM 0 HB VAL A 886 2.816 -11.214 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.368 -11.444 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 886 2.647 -12.923 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 886 1.669 -11.847 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.753 -9.250 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.013 -9.524 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.617 -9.080 1.643 1.00 0.00 H new ATOM 1735 N LYS A 887 0.727 -14.094 1.512 1.00 0.00 N ATOM 1736 CA LYS A 887 0.291 -15.393 1.009 1.00 0.00 C ATOM 1737 C LYS A 887 -1.221 -15.550 1.138 1.00 0.00 C ATOM 1738 O LYS A 887 -1.884 -16.014 0.213 1.00 0.00 O ATOM 1739 CB LYS A 887 0.983 -16.523 1.774 1.00 0.00 C ATOM 1740 CG LYS A 887 2.186 -17.105 1.057 1.00 0.00 C ATOM 1741 CD LYS A 887 2.638 -18.394 1.717 1.00 0.00 C ATOM 1742 CE LYS A 887 4.111 -18.667 1.473 1.00 0.00 C ATOM 1743 NZ LYS A 887 4.825 -18.987 2.736 1.00 0.00 N ATOM 0 H LYS A 887 1.414 -14.146 2.264 1.00 0.00 H new ATOM 0 HA LYS A 887 0.563 -15.448 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 887 1.299 -16.149 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 887 0.262 -17.319 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 887 1.936 -17.295 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.002 -16.383 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 887 2.452 -18.338 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 887 2.046 -19.225 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.217 -19.497 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.570 -17.796 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 5.775 -19.347 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 4.906 -18.128 3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 4.294 -19.710 3.261 1.00 0.00 H new ATOM 1757 N SER A 888 -1.767 -15.152 2.284 1.00 0.00 N ATOM 1758 CA SER A 888 -3.200 -15.296 2.521 1.00 0.00 C ATOM 1759 C SER A 888 -3.993 -14.166 1.863 1.00 0.00 C ATOM 1760 O SER A 888 -5.169 -14.333 1.539 1.00 0.00 O ATOM 1761 CB SER A 888 -3.506 -15.340 4.020 1.00 0.00 C ATOM 1762 OG SER A 888 -2.319 -15.399 4.794 1.00 0.00 O ATOM 0 H SER A 888 -1.246 -14.732 3.054 1.00 0.00 H new ATOM 0 HA SER A 888 -3.507 -16.240 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 888 -4.080 -14.457 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 888 -4.128 -16.208 4.240 1.00 0.00 H new ATOM 0 HG SER A 888 -2.550 -15.424 5.746 1.00 0.00 H new ATOM 1768 N LEU A 889 -3.352 -13.021 1.659 1.00 0.00 N ATOM 1769 CA LEU A 889 -4.040 -11.857 1.108 1.00 0.00 C ATOM 1770 C LEU A 889 -4.041 -11.864 -0.419 1.00 0.00 C ATOM 1771 O LEU A 889 -4.818 -11.145 -1.045 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.407 -10.567 1.627 1.00 0.00 C ATOM 1773 CG LEU A 889 -4.308 -9.739 2.544 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -3.670 -9.571 3.913 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.600 -8.383 1.921 1.00 0.00 C ATOM 0 H LEU A 889 -2.364 -12.873 1.865 1.00 0.00 H new ATOM 0 HA LEU A 889 -5.077 -11.907 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.494 -10.818 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.115 -9.953 0.775 1.00 0.00 H new ATOM 0 HG LEU A 889 -5.251 -10.271 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -4.327 -8.979 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -3.513 -10.551 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.712 -9.062 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -5.242 -7.807 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -3.665 -7.845 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -5.102 -8.523 0.964 1.00 0.00 H new ATOM 1787 N LEU A 890 -3.166 -12.663 -1.012 1.00 0.00 N ATOM 1788 CA LEU A 890 -3.122 -12.796 -2.464 1.00 0.00 C ATOM 1789 C LEU A 890 -4.284 -13.653 -2.958 1.00 0.00 C ATOM 1790 O LEU A 890 -4.469 -14.774 -2.432 1.00 0.00 O ATOM 1791 CB LEU A 890 -1.795 -13.414 -2.914 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.582 -12.480 -2.868 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.613 -13.128 -3.549 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -0.904 -11.145 -3.519 1.00 0.00 C ATOM 1795 OXT LEU A 890 -5.008 -13.207 -3.869 1.00 0.00 O ATOM 0 H LEU A 890 -2.478 -13.228 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 890 -3.207 -11.799 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.587 -14.281 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -1.912 -13.779 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 890 -0.331 -12.298 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.466 -12.451 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 890 0.862 -14.058 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.368 -13.340 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -0.028 -10.498 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -1.184 -11.306 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -1.731 -10.672 -2.990 1.00 0.00 H new