USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 802 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.2) USER MOD Single : A 804 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.2) USER MOD Single : A 806 HIS : no HD1:sc= -3.02 K(o=-3,f=-0.29) USER MOD Single : A 808 SER OG : rot -79:sc= 1.27 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot 180:sc= 0 USER MOD Single : A 817 THR OG1 : rot 180:sc= 0 USER MOD Single : A 823 LYS NZ :NH3+ -130:sc= 0.857 (180deg=-1.22) USER MOD Single : A 826 TYR OH : rot 180:sc= -0.665 USER MOD Single : A 827 THR OG1 : rot 180:sc= 0.00568 USER MOD Single : A 831 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 832 SER OG : rot 180:sc= -0.0259 USER MOD Single : A 839 GLN : amide:sc= -0.624 X(o=-0.62,f=-0.99) USER MOD Single : A 840 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 842 HIS : no HD1:sc= 0.552 K(o=0.55,f=-3.5!) USER MOD Single : A 845 LYS NZ :NH3+ 174:sc= 1.57 (180deg=1.33) 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=-0.0007) USER MOD Single : A 860 CYS SG : rot 76:sc= 1.19 USER MOD Single : A 862 THR OG1 : rot 180:sc= 0.0679 USER MOD Single : A 865 HIS : no HD1:sc= -0.0225 K(o=-0.022,f=-2.2!) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 SER OG : rot 66:sc= 0.948 USER MOD Single : A 884 SER OG : rot 27:sc= -0.648 USER MOD Single : A 885 TYR OH : rot 180:sc= 0.0331 USER MOD Single : A 887 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.06) USER MOD Single : A 888 SER OG : rot -79:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -7.816 -7.324 2.108 1.00 0.00 N ATOM 407 CA ASN A 802 -7.518 -7.820 0.767 1.00 0.00 C ATOM 408 C ASN A 802 -8.664 -7.493 -0.188 1.00 0.00 C ATOM 409 O ASN A 802 -8.445 -7.225 -1.373 1.00 0.00 O ATOM 410 CB ASN A 802 -7.256 -9.334 0.785 1.00 0.00 C ATOM 411 CG ASN A 802 -8.531 -10.161 0.773 1.00 0.00 C ATOM 412 OD1 ASN A 802 -9.268 -10.193 1.758 1.00 0.00 O ATOM 413 ND2 ASN A 802 -8.800 -10.830 -0.339 1.00 0.00 N ATOM 0 HA ASN A 802 -6.614 -7.322 0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -6.649 -9.602 -0.080 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -6.675 -9.585 1.673 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -9.645 -11.398 -0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -8.162 -10.776 -1.133 1.00 0.00 H new ATOM 420 N ALA A 803 -9.887 -7.501 0.337 1.00 0.00 N ATOM 421 CA ALA A 803 -11.059 -7.160 -0.453 1.00 0.00 C ATOM 422 C ALA A 803 -10.979 -5.707 -0.897 1.00 0.00 C ATOM 423 O ALA A 803 -11.138 -5.399 -2.075 1.00 0.00 O ATOM 424 CB ALA A 803 -12.333 -7.417 0.336 1.00 0.00 C ATOM 0 H ALA A 803 -10.088 -7.741 1.308 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.083 -7.794 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.198 -7.155 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.386 -8.471 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -12.330 -6.809 1.241 1.00 0.00 H new ATOM 430 N GLN A 804 -10.690 -4.822 0.045 1.00 0.00 N ATOM 431 CA GLN A 804 -10.539 -3.408 -0.264 1.00 0.00 C ATOM 432 C GLN A 804 -9.406 -3.197 -1.261 1.00 0.00 C ATOM 433 O GLN A 804 -9.555 -2.462 -2.237 1.00 0.00 O ATOM 434 CB GLN A 804 -10.271 -2.611 1.011 1.00 0.00 C ATOM 435 CG GLN A 804 -11.130 -1.363 1.140 1.00 0.00 C ATOM 436 CD GLN A 804 -12.610 -1.679 1.237 1.00 0.00 C ATOM 437 OE1 GLN A 804 -13.004 -2.823 1.467 1.00 0.00 O ATOM 438 NE2 GLN A 804 -13.442 -0.668 1.067 1.00 0.00 N ATOM 0 H GLN A 804 -10.555 -5.057 1.028 1.00 0.00 H new ATOM 0 HA GLN A 804 -11.467 -3.053 -0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -10.446 -3.253 1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -9.220 -2.323 1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -10.823 -0.805 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -10.956 -0.717 0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -13.078 0.266 0.878 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -14.449 -0.821 1.125 1.00 0.00 H new ATOM 447 N LEU A 805 -8.289 -3.875 -1.022 1.00 0.00 N ATOM 448 CA LEU A 805 -7.097 -3.734 -1.852 1.00 0.00 C ATOM 449 C LEU A 805 -7.365 -4.095 -3.318 1.00 0.00 C ATOM 450 O LEU A 805 -7.036 -3.329 -4.224 1.00 0.00 O ATOM 451 CB LEU A 805 -5.961 -4.594 -1.282 1.00 0.00 C ATOM 452 CG LEU A 805 -5.165 -5.399 -2.298 1.00 0.00 C ATOM 453 CD1 LEU A 805 -3.801 -4.767 -2.527 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.020 -6.845 -1.849 1.00 0.00 C ATOM 0 H LEU A 805 -8.184 -4.535 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 805 -6.802 -2.685 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -5.273 -3.942 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -6.384 -5.284 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 805 -5.710 -5.392 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.245 -5.356 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -3.929 -3.752 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -3.250 -4.740 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -4.447 -7.401 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -4.501 -6.878 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.008 -7.294 -1.742 1.00 0.00 H new ATOM 466 N HIS A 806 -7.974 -5.249 -3.565 1.00 0.00 N ATOM 467 CA HIS A 806 -8.204 -5.676 -4.941 1.00 0.00 C ATOM 468 C HIS A 806 -9.431 -4.982 -5.536 1.00 0.00 C ATOM 469 O HIS A 806 -9.612 -4.964 -6.751 1.00 0.00 O ATOM 470 CB HIS A 806 -8.299 -7.213 -5.048 1.00 0.00 C ATOM 471 CG HIS A 806 -9.656 -7.789 -4.814 1.00 0.00 C ATOM 472 ND1 HIS A 806 -10.274 -8.650 -5.690 1.00 0.00 N ATOM 473 CD2 HIS A 806 -10.508 -7.627 -3.790 1.00 0.00 C ATOM 474 CE1 HIS A 806 -11.453 -8.988 -5.210 1.00 0.00 C ATOM 475 NE2 HIS A 806 -11.622 -8.381 -4.055 1.00 0.00 N ATOM 0 H HIS A 806 -8.311 -5.893 -2.849 1.00 0.00 H new ATOM 0 HA HIS A 806 -7.341 -5.371 -5.534 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -7.962 -7.513 -6.040 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -7.607 -7.654 -4.330 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -10.346 -7.014 -2.916 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -12.161 -9.651 -5.684 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -12.444 -8.458 -3.457 1.00 0.00 H new ATOM 484 N ALA A 807 -10.262 -4.394 -4.679 1.00 0.00 N ATOM 485 CA ALA A 807 -11.444 -3.674 -5.141 1.00 0.00 C ATOM 486 C ALA A 807 -11.111 -2.226 -5.497 1.00 0.00 C ATOM 487 O ALA A 807 -11.853 -1.575 -6.230 1.00 0.00 O ATOM 488 CB ALA A 807 -12.546 -3.723 -4.095 1.00 0.00 C ATOM 0 H ALA A 807 -10.139 -4.402 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 807 -11.799 -4.168 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -13.418 -3.180 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -12.819 -4.761 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.192 -3.263 -3.172 1.00 0.00 H new ATOM 494 N SER A 808 -9.999 -1.718 -4.978 1.00 0.00 N ATOM 495 CA SER A 808 -9.575 -0.359 -5.294 1.00 0.00 C ATOM 496 C SER A 808 -8.698 -0.349 -6.543 1.00 0.00 C ATOM 497 O SER A 808 -8.257 0.705 -6.999 1.00 0.00 O ATOM 498 CB SER A 808 -8.819 0.256 -4.116 1.00 0.00 C ATOM 499 OG SER A 808 -8.030 -0.713 -3.452 1.00 0.00 O ATOM 0 H SER A 808 -9.380 -2.221 -4.342 1.00 0.00 H new ATOM 0 HA SER A 808 -10.465 0.239 -5.487 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.182 1.065 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 808 -9.529 0.694 -3.414 1.00 0.00 H new ATOM 0 HG SER A 808 -8.599 -1.250 -2.863 1.00 0.00 H new ATOM 505 N GLY A 809 -8.459 -1.532 -7.095 1.00 0.00 N ATOM 506 CA GLY A 809 -7.629 -1.641 -8.274 1.00 0.00 C ATOM 507 C GLY A 809 -6.150 -1.614 -7.940 1.00 0.00 C ATOM 508 O GLY A 809 -5.334 -1.135 -8.731 1.00 0.00 O ATOM 0 H GLY A 809 -8.826 -2.417 -6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -7.864 -2.568 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -7.860 -0.823 -8.956 1.00 0.00 H new ATOM 512 N TYR A 810 -5.805 -2.124 -6.766 1.00 0.00 N ATOM 513 CA TYR A 810 -4.415 -2.187 -6.340 1.00 0.00 C ATOM 514 C TYR A 810 -3.903 -3.622 -6.384 1.00 0.00 C ATOM 515 O TYR A 810 -2.775 -3.904 -5.982 1.00 0.00 O ATOM 516 CB TYR A 810 -4.270 -1.616 -4.929 1.00 0.00 C ATOM 517 CG TYR A 810 -4.209 -0.103 -4.885 1.00 0.00 C ATOM 518 CD1 TYR A 810 -3.602 0.619 -5.905 1.00 0.00 C ATOM 519 CD2 TYR A 810 -4.753 0.599 -3.818 1.00 0.00 C ATOM 520 CE1 TYR A 810 -3.539 1.999 -5.862 1.00 0.00 C ATOM 521 CE2 TYR A 810 -4.696 1.979 -3.767 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.087 2.675 -4.792 1.00 0.00 C ATOM 523 OH TYR A 810 -4.020 4.051 -4.745 1.00 0.00 O ATOM 0 H TYR A 810 -6.470 -2.501 -6.091 1.00 0.00 H new ATOM 0 HA TYR A 810 -3.816 -1.588 -7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.110 -1.954 -4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -3.365 -2.020 -4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -3.172 0.093 -6.745 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -5.229 0.057 -3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -3.063 2.546 -6.663 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -5.125 2.510 -2.930 1.00 0.00 H new ATOM 0 HH TYR A 810 -4.454 4.372 -3.927 1.00 0.00 H new ATOM 533 N TYR A 811 -4.734 -4.522 -6.897 1.00 0.00 N ATOM 534 CA TYR A 811 -4.386 -5.936 -6.980 1.00 0.00 C ATOM 535 C TYR A 811 -3.243 -6.141 -7.966 1.00 0.00 C ATOM 536 O TYR A 811 -2.375 -6.990 -7.764 1.00 0.00 O ATOM 537 CB TYR A 811 -5.605 -6.753 -7.409 1.00 0.00 C ATOM 538 CG TYR A 811 -5.477 -8.239 -7.155 1.00 0.00 C ATOM 539 CD1 TYR A 811 -5.095 -8.726 -5.909 1.00 0.00 C ATOM 540 CD2 TYR A 811 -5.754 -9.156 -8.161 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.987 -10.085 -5.678 1.00 0.00 C ATOM 542 CE2 TYR A 811 -5.651 -10.513 -7.937 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.269 -10.974 -6.696 1.00 0.00 C ATOM 544 OH TYR A 811 -5.176 -12.327 -6.473 1.00 0.00 O ATOM 0 H TYR A 811 -5.659 -4.296 -7.264 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.063 -6.276 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.482 -6.380 -6.881 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.781 -6.591 -8.473 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -4.880 -8.032 -5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -6.055 -8.800 -9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -4.684 -10.449 -4.707 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -5.869 -11.212 -8.731 1.00 0.00 H new ATOM 0 HH TYR A 811 -5.409 -12.810 -7.293 1.00 0.00 H new ATOM 554 N ALA A 812 -3.248 -5.338 -9.025 1.00 0.00 N ATOM 555 CA ALA A 812 -2.201 -5.384 -10.038 1.00 0.00 C ATOM 556 C ALA A 812 -0.836 -5.064 -9.435 1.00 0.00 C ATOM 557 O ALA A 812 0.187 -5.575 -9.891 1.00 0.00 O ATOM 558 CB ALA A 812 -2.522 -4.418 -11.167 1.00 0.00 C ATOM 0 H ALA A 812 -3.972 -4.642 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.160 -6.397 -10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.733 -4.461 -11.918 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.473 -4.694 -11.623 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.591 -3.405 -10.771 1.00 0.00 H new ATOM 564 N LEU A 813 -0.825 -4.216 -8.415 1.00 0.00 N ATOM 565 CA LEU A 813 0.409 -3.872 -7.723 1.00 0.00 C ATOM 566 C LEU A 813 0.717 -4.912 -6.654 1.00 0.00 C ATOM 567 O LEU A 813 1.878 -5.259 -6.425 1.00 0.00 O ATOM 568 CB LEU A 813 0.306 -2.481 -7.090 1.00 0.00 C ATOM 569 CG LEU A 813 0.191 -1.322 -8.081 1.00 0.00 C ATOM 570 CD1 LEU A 813 -0.271 -0.060 -7.372 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.520 -1.081 -8.784 1.00 0.00 C ATOM 0 H LEU A 813 -1.657 -3.754 -8.049 1.00 0.00 H new ATOM 0 HA LEU A 813 1.220 -3.859 -8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -0.562 -2.462 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 813 1.184 -2.318 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 813 -0.551 -1.588 -8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -0.347 0.755 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -1.246 -0.235 -6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 813 0.448 0.206 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 813 1.416 -0.252 -9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 813 2.284 -0.838 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 813 1.813 -1.980 -9.326 1.00 0.00 H new ATOM 583 N PHE A 814 -0.340 -5.413 -6.021 1.00 0.00 N ATOM 584 CA PHE A 814 -0.226 -6.405 -4.955 1.00 0.00 C ATOM 585 C PHE A 814 0.590 -7.615 -5.400 1.00 0.00 C ATOM 586 O PHE A 814 1.507 -8.043 -4.706 1.00 0.00 O ATOM 587 CB PHE A 814 -1.620 -6.860 -4.515 1.00 0.00 C ATOM 588 CG PHE A 814 -1.622 -7.751 -3.304 1.00 0.00 C ATOM 589 CD1 PHE A 814 -1.181 -7.279 -2.078 1.00 0.00 C ATOM 590 CD2 PHE A 814 -2.073 -9.059 -3.392 1.00 0.00 C ATOM 591 CE1 PHE A 814 -1.190 -8.095 -0.964 1.00 0.00 C ATOM 592 CE2 PHE A 814 -2.083 -9.880 -2.282 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.641 -9.398 -1.067 1.00 0.00 C ATOM 0 H PHE A 814 -1.301 -5.143 -6.232 1.00 0.00 H new ATOM 0 HA PHE A 814 0.291 -5.936 -4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.228 -5.980 -4.306 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -2.096 -7.388 -5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.827 -6.262 -1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.421 -9.440 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 814 -0.845 -7.716 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.436 -10.897 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.647 -10.038 -0.197 1.00 0.00 H new ATOM 603 N VAL A 815 0.269 -8.156 -6.564 1.00 0.00 N ATOM 604 CA VAL A 815 0.934 -9.363 -7.037 1.00 0.00 C ATOM 605 C VAL A 815 2.033 -9.045 -8.044 1.00 0.00 C ATOM 606 O VAL A 815 2.399 -9.879 -8.875 1.00 0.00 O ATOM 607 CB VAL A 815 -0.070 -10.355 -7.663 1.00 0.00 C ATOM 608 CG1 VAL A 815 -1.049 -10.860 -6.613 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.814 -9.715 -8.828 1.00 0.00 C ATOM 0 H VAL A 815 -0.441 -7.784 -7.195 1.00 0.00 H new ATOM 0 HA VAL A 815 1.389 -9.828 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 815 0.491 -11.206 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.748 -11.558 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.501 -11.367 -5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.600 -10.018 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -1.515 -10.434 -9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -1.361 -8.841 -8.474 1.00 0.00 H new ATOM 0 HG23 VAL A 815 -0.100 -9.411 -9.593 1.00 0.00 H new ATOM 619 N ASP A 816 2.564 -7.840 -7.969 1.00 0.00 N ATOM 620 CA ASP A 816 3.637 -7.432 -8.861 1.00 0.00 C ATOM 621 C ASP A 816 4.789 -6.828 -8.079 1.00 0.00 C ATOM 622 O ASP A 816 5.884 -7.389 -8.020 1.00 0.00 O ATOM 623 CB ASP A 816 3.128 -6.414 -9.877 1.00 0.00 C ATOM 624 CG ASP A 816 4.161 -6.076 -10.929 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.865 -6.994 -11.396 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.269 -4.887 -11.294 1.00 0.00 O ATOM 0 H ASP A 816 2.272 -7.126 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 816 3.991 -8.320 -9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.235 -6.807 -10.363 1.00 0.00 H new ATOM 0 HB3 ASP A 816 2.833 -5.503 -9.356 1.00 0.00 H new ATOM 631 N THR A 817 4.520 -5.692 -7.464 1.00 0.00 N ATOM 632 CA THR A 817 5.542 -4.933 -6.778 1.00 0.00 C ATOM 633 C THR A 817 5.792 -5.454 -5.367 1.00 0.00 C ATOM 634 O THR A 817 6.928 -5.454 -4.897 1.00 0.00 O ATOM 635 CB THR A 817 5.145 -3.449 -6.723 1.00 0.00 C ATOM 636 OG1 THR A 817 4.545 -3.065 -7.970 1.00 0.00 O ATOM 637 CG2 THR A 817 6.354 -2.580 -6.456 1.00 0.00 C ATOM 0 H THR A 817 3.591 -5.273 -7.427 1.00 0.00 H new ATOM 0 HA THR A 817 6.468 -5.047 -7.341 1.00 0.00 H new ATOM 0 HB THR A 817 4.431 -3.311 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 817 4.291 -2.119 -7.933 1.00 0.00 H new ATOM 0 HG21 THR A 817 6.050 -1.534 -6.421 1.00 0.00 H new ATOM 0 HG22 THR A 817 6.800 -2.860 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 817 7.085 -2.719 -7.253 1.00 0.00 H new ATOM 645 N VAL A 818 4.740 -5.936 -4.711 1.00 0.00 N ATOM 646 CA VAL A 818 4.842 -6.324 -3.307 1.00 0.00 C ATOM 647 C VAL A 818 5.783 -7.519 -3.108 1.00 0.00 C ATOM 648 O VAL A 818 6.758 -7.407 -2.365 1.00 0.00 O ATOM 649 CB VAL A 818 3.456 -6.630 -2.692 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.592 -7.059 -1.237 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.544 -5.416 -2.810 1.00 0.00 C ATOM 0 H VAL A 818 3.816 -6.066 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 818 5.267 -5.467 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 818 3.009 -7.455 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.605 -7.269 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.208 -7.956 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.061 -6.259 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.573 -5.647 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 818 2.989 -4.574 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.417 -5.157 -3.861 1.00 0.00 H new ATOM 661 N PRO A 819 5.531 -8.673 -3.772 1.00 0.00 N ATOM 662 CA PRO A 819 6.346 -9.882 -3.580 1.00 0.00 C ATOM 663 C PRO A 819 7.835 -9.643 -3.825 1.00 0.00 C ATOM 664 O PRO A 819 8.686 -10.168 -3.102 1.00 0.00 O ATOM 665 CB PRO A 819 5.789 -10.863 -4.616 1.00 0.00 C ATOM 666 CG PRO A 819 4.398 -10.399 -4.863 1.00 0.00 C ATOM 667 CD PRO A 819 4.441 -8.904 -4.743 1.00 0.00 C ATOM 0 HA PRO A 819 6.286 -10.241 -2.553 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.380 -10.850 -5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.805 -11.886 -4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 819 4.054 -10.703 -5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.707 -10.830 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.649 -8.429 -5.702 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.493 -8.501 -4.387 1.00 0.00 H new ATOM 675 N ASP A 820 8.154 -8.839 -4.830 1.00 0.00 N ATOM 676 CA ASP A 820 9.547 -8.616 -5.194 1.00 0.00 C ATOM 677 C ASP A 820 10.224 -7.644 -4.241 1.00 0.00 C ATOM 678 O ASP A 820 11.397 -7.810 -3.914 1.00 0.00 O ATOM 679 CB ASP A 820 9.675 -8.111 -6.625 1.00 0.00 C ATOM 680 CG ASP A 820 10.963 -8.590 -7.259 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.225 -9.815 -7.216 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.722 -7.758 -7.797 1.00 0.00 O ATOM 0 H ASP A 820 7.476 -8.335 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 820 10.050 -9.580 -5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.826 -8.458 -7.214 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.645 -7.021 -6.633 1.00 0.00 H new ATOM 687 N ASP A 821 9.489 -6.634 -3.791 1.00 0.00 N ATOM 688 CA ASP A 821 10.035 -5.681 -2.828 1.00 0.00 C ATOM 689 C ASP A 821 10.283 -6.382 -1.494 1.00 0.00 C ATOM 690 O ASP A 821 11.216 -6.046 -0.761 1.00 0.00 O ATOM 691 CB ASP A 821 9.100 -4.478 -2.647 1.00 0.00 C ATOM 692 CG ASP A 821 9.643 -3.213 -3.300 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.881 -3.073 -3.406 1.00 0.00 O ATOM 694 OD2 ASP A 821 8.836 -2.351 -3.717 1.00 0.00 O ATOM 0 H ASP A 821 8.525 -6.453 -4.072 1.00 0.00 H new ATOM 0 HA ASP A 821 10.983 -5.303 -3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.125 -4.713 -3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 821 8.948 -4.297 -1.583 1.00 0.00 H new ATOM 699 N VAL A 822 9.453 -7.380 -1.194 1.00 0.00 N ATOM 700 CA VAL A 822 9.667 -8.236 -0.032 1.00 0.00 C ATOM 701 C VAL A 822 10.937 -9.069 -0.224 1.00 0.00 C ATOM 702 O VAL A 822 11.737 -9.229 0.701 1.00 0.00 O ATOM 703 CB VAL A 822 8.462 -9.176 0.211 1.00 0.00 C ATOM 704 CG1 VAL A 822 8.780 -10.221 1.270 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.231 -8.378 0.612 1.00 0.00 C ATOM 0 H VAL A 822 8.625 -7.615 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 822 9.776 -7.592 0.840 1.00 0.00 H new ATOM 0 HB VAL A 822 8.254 -9.695 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 822 7.913 -10.865 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.628 -10.823 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.027 -9.725 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.395 -9.058 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.438 -7.826 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 822 6.977 -7.677 -0.183 1.00 0.00 H new ATOM 715 N LYS A 823 11.121 -9.586 -1.434 1.00 0.00 N ATOM 716 CA LYS A 823 12.326 -10.342 -1.771 1.00 0.00 C ATOM 717 C LYS A 823 13.560 -9.459 -1.645 1.00 0.00 C ATOM 718 O LYS A 823 14.618 -9.912 -1.212 1.00 0.00 O ATOM 719 CB LYS A 823 12.238 -10.897 -3.192 1.00 0.00 C ATOM 720 CG LYS A 823 11.315 -12.095 -3.324 1.00 0.00 C ATOM 721 CD LYS A 823 11.897 -13.158 -4.244 1.00 0.00 C ATOM 722 CE LYS A 823 11.921 -12.707 -5.696 1.00 0.00 C ATOM 723 NZ LYS A 823 10.584 -12.263 -6.173 1.00 0.00 N ATOM 0 H LYS A 823 10.452 -9.496 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 823 12.407 -11.174 -1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.892 -10.108 -3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.237 -11.181 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 823 11.135 -12.526 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 823 10.349 -11.769 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 823 12.910 -13.399 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 823 11.309 -14.072 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 823 12.634 -11.890 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 823 12.274 -13.526 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 10.362 -12.736 -7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 9.863 -12.509 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 10.591 -11.233 -6.316 1.00 0.00 H new ATOM 737 N ARG A 824 13.414 -8.198 -2.038 1.00 0.00 N ATOM 738 CA ARG A 824 14.483 -7.217 -1.889 1.00 0.00 C ATOM 739 C ARG A 824 14.846 -7.058 -0.417 1.00 0.00 C ATOM 740 O ARG A 824 16.022 -7.006 -0.069 1.00 0.00 O ATOM 741 CB ARG A 824 14.058 -5.869 -2.476 1.00 0.00 C ATOM 742 CG ARG A 824 14.062 -5.839 -3.996 1.00 0.00 C ATOM 743 CD ARG A 824 14.894 -4.684 -4.536 1.00 0.00 C ATOM 744 NE ARG A 824 16.174 -4.553 -3.842 1.00 0.00 N ATOM 745 CZ ARG A 824 17.345 -4.925 -4.357 1.00 0.00 C ATOM 746 NH1 ARG A 824 17.401 -5.472 -5.565 1.00 0.00 N ATOM 747 NH2 ARG A 824 18.457 -4.767 -3.651 1.00 0.00 N ATOM 0 H ARG A 824 12.563 -7.830 -2.463 1.00 0.00 H new ATOM 0 HA ARG A 824 15.359 -7.571 -2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.057 -5.626 -2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 824 14.727 -5.093 -2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 824 14.457 -6.781 -4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 824 13.039 -5.751 -4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 824 15.074 -4.835 -5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 824 14.332 -3.756 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 824 16.170 -4.151 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 824 16.545 -5.609 -6.103 1.00 0.00 H new ATOM 0 HH12 ARG A 824 18.300 -5.755 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 824 18.414 -4.361 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 824 19.355 -5.051 -4.043 1.00 0.00 H new ATOM 761 N LEU A 825 13.828 -6.996 0.441 1.00 0.00 N ATOM 762 CA LEU A 825 14.037 -6.955 1.890 1.00 0.00 C ATOM 763 C LEU A 825 14.897 -8.135 2.334 1.00 0.00 C ATOM 764 O LEU A 825 15.825 -7.979 3.131 1.00 0.00 O ATOM 765 CB LEU A 825 12.696 -6.990 2.629 1.00 0.00 C ATOM 766 CG LEU A 825 12.113 -5.627 2.998 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.676 -5.775 3.468 1.00 0.00 C ATOM 768 CD2 LEU A 825 12.958 -4.954 4.066 1.00 0.00 C ATOM 0 H LEU A 825 12.848 -6.973 0.158 1.00 0.00 H new ATOM 0 HA LEU A 825 14.550 -6.025 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 825 11.973 -7.519 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 825 12.819 -7.572 3.542 1.00 0.00 H new ATOM 0 HG LEU A 825 12.122 -4.997 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.275 -4.795 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.076 -6.213 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.645 -6.423 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.526 -3.985 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.983 -5.580 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 825 13.972 -4.814 3.693 1.00 0.00 H new ATOM 780 N TYR A 826 14.576 -9.312 1.806 1.00 0.00 N ATOM 781 CA TYR A 826 15.349 -10.521 2.071 1.00 0.00 C ATOM 782 C TYR A 826 16.807 -10.321 1.657 1.00 0.00 C ATOM 783 O TYR A 826 17.728 -10.702 2.381 1.00 0.00 O ATOM 784 CB TYR A 826 14.756 -11.703 1.301 1.00 0.00 C ATOM 785 CG TYR A 826 13.552 -12.340 1.960 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.618 -12.830 3.258 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.351 -12.458 1.272 1.00 0.00 C ATOM 788 CE1 TYR A 826 12.517 -13.416 3.854 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.247 -13.043 1.860 1.00 0.00 C ATOM 790 CZ TYR A 826 11.333 -13.522 3.150 1.00 0.00 C ATOM 791 OH TYR A 826 10.235 -14.106 3.736 1.00 0.00 O ATOM 0 H TYR A 826 13.778 -9.455 1.186 1.00 0.00 H new ATOM 0 HA TYR A 826 15.308 -10.730 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.473 -11.366 0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.528 -12.461 1.173 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.543 -12.752 3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.280 -12.086 0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 826 12.582 -13.789 4.865 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.320 -13.125 1.312 1.00 0.00 H new ATOM 0 HH TYR A 826 9.485 -14.099 3.105 1.00 0.00 H new ATOM 801 N THR A 827 16.998 -9.703 0.496 1.00 0.00 N ATOM 802 CA THR A 827 18.327 -9.463 -0.051 1.00 0.00 C ATOM 803 C THR A 827 19.131 -8.518 0.841 1.00 0.00 C ATOM 804 O THR A 827 20.296 -8.783 1.156 1.00 0.00 O ATOM 805 CB THR A 827 18.224 -8.865 -1.470 1.00 0.00 C ATOM 806 OG1 THR A 827 17.189 -9.534 -2.205 1.00 0.00 O ATOM 807 CG2 THR A 827 19.541 -8.986 -2.222 1.00 0.00 C ATOM 0 H THR A 827 16.238 -9.356 -0.090 1.00 0.00 H new ATOM 0 HA THR A 827 18.843 -10.422 -0.096 1.00 0.00 H new ATOM 0 HB THR A 827 17.985 -7.806 -1.371 1.00 0.00 H new ATOM 0 HG1 THR A 827 17.126 -9.150 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.433 -8.555 -3.217 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.321 -8.452 -1.678 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.815 -10.037 -2.310 1.00 0.00 H new ATOM 815 N GLU A 828 18.499 -7.434 1.272 1.00 0.00 N ATOM 816 CA GLU A 828 19.171 -6.443 2.103 1.00 0.00 C ATOM 817 C GLU A 828 19.507 -7.030 3.468 1.00 0.00 C ATOM 818 O GLU A 828 20.578 -6.774 4.016 1.00 0.00 O ATOM 819 CB GLU A 828 18.304 -5.192 2.268 1.00 0.00 C ATOM 820 CG GLU A 828 17.632 -4.724 0.983 1.00 0.00 C ATOM 821 CD GLU A 828 18.612 -4.250 -0.075 1.00 0.00 C ATOM 822 OE1 GLU A 828 19.833 -4.285 0.170 1.00 0.00 O ATOM 823 OE2 GLU A 828 18.158 -3.832 -1.163 1.00 0.00 O ATOM 0 H GLU A 828 17.525 -7.219 1.061 1.00 0.00 H new ATOM 0 HA GLU A 828 20.098 -6.158 1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.535 -5.392 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 828 18.923 -4.383 2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.037 -5.541 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 828 16.942 -3.913 1.217 1.00 0.00 H new ATOM 830 N ALA A 829 18.595 -7.834 4.002 1.00 0.00 N ATOM 831 CA ALA A 829 18.807 -8.481 5.292 1.00 0.00 C ATOM 832 C ALA A 829 19.958 -9.476 5.212 1.00 0.00 C ATOM 833 O ALA A 829 20.789 -9.554 6.119 1.00 0.00 O ATOM 834 CB ALA A 829 17.534 -9.173 5.758 1.00 0.00 C ATOM 0 H ALA A 829 17.701 -8.054 3.562 1.00 0.00 H new ATOM 0 HA ALA A 829 19.068 -7.714 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.711 -9.650 6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.736 -8.437 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.242 -9.928 5.028 1.00 0.00 H new ATOM 840 N ALA A 830 20.014 -10.218 4.112 1.00 0.00 N ATOM 841 CA ALA A 830 21.060 -11.212 3.905 1.00 0.00 C ATOM 842 C ALA A 830 22.430 -10.552 3.810 1.00 0.00 C ATOM 843 O ALA A 830 23.402 -11.034 4.392 1.00 0.00 O ATOM 844 CB ALA A 830 20.775 -12.024 2.651 1.00 0.00 C ATOM 0 H ALA A 830 19.344 -10.149 3.346 1.00 0.00 H new ATOM 0 HA ALA A 830 21.067 -11.882 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 830 21.564 -12.762 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 830 19.817 -12.533 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 830 20.740 -11.360 1.788 1.00 0.00 H new ATOM 850 N THR A 831 22.496 -9.438 3.095 1.00 0.00 N ATOM 851 CA THR A 831 23.756 -8.734 2.899 1.00 0.00 C ATOM 852 C THR A 831 24.057 -7.783 4.064 1.00 0.00 C ATOM 853 O THR A 831 25.042 -7.045 4.033 1.00 0.00 O ATOM 854 CB THR A 831 23.754 -7.947 1.572 1.00 0.00 C ATOM 855 OG1 THR A 831 22.902 -8.595 0.613 1.00 0.00 O ATOM 856 CG2 THR A 831 25.162 -7.846 1.004 1.00 0.00 C ATOM 0 H THR A 831 21.693 -9.002 2.641 1.00 0.00 H new ATOM 0 HA THR A 831 24.540 -9.491 2.859 1.00 0.00 H new ATOM 0 HB THR A 831 23.380 -6.944 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 831 21.966 -8.388 0.815 1.00 0.00 H new ATOM 0 HG21 THR A 831 25.138 -7.287 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.806 -7.332 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.552 -8.847 0.819 1.00 0.00 H new ATOM 864 N SER A 832 23.195 -7.808 5.085 1.00 0.00 N ATOM 865 CA SER A 832 23.368 -6.987 6.286 1.00 0.00 C ATOM 866 C SER A 832 23.342 -5.498 5.947 1.00 0.00 C ATOM 867 O SER A 832 23.881 -4.668 6.681 1.00 0.00 O ATOM 868 CB SER A 832 24.671 -7.345 7.014 1.00 0.00 C ATOM 869 OG SER A 832 25.036 -8.700 6.791 1.00 0.00 O ATOM 0 H SER A 832 22.361 -8.395 5.102 1.00 0.00 H new ATOM 0 HA SER A 832 22.531 -7.200 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.472 -6.690 6.672 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.552 -7.170 8.083 1.00 0.00 H new ATOM 0 HG SER A 832 25.870 -8.896 7.266 1.00 0.00 H new ATOM 875 N ASP A 833 22.690 -5.162 4.843 1.00 0.00 N ATOM 876 CA ASP A 833 22.588 -3.779 4.406 1.00 0.00 C ATOM 877 C ASP A 833 21.365 -3.144 5.038 1.00 0.00 C ATOM 878 O ASP A 833 20.371 -2.863 4.371 1.00 0.00 O ATOM 879 CB ASP A 833 22.506 -3.690 2.879 1.00 0.00 C ATOM 880 CG ASP A 833 23.111 -2.406 2.338 1.00 0.00 C ATOM 881 OD1 ASP A 833 23.328 -1.460 3.128 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.372 -2.335 1.118 1.00 0.00 O ATOM 0 H ASP A 833 22.222 -5.832 4.232 1.00 0.00 H new ATOM 0 HA ASP A 833 23.482 -3.242 4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 833 23.022 -4.544 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.463 -3.755 2.570 1.00 0.00 H new ATOM 887 N PHE A 834 21.451 -2.935 6.343 1.00 0.00 N ATOM 888 CA PHE A 834 20.320 -2.463 7.129 1.00 0.00 C ATOM 889 C PHE A 834 19.860 -1.076 6.698 1.00 0.00 C ATOM 890 O PHE A 834 18.707 -0.713 6.920 1.00 0.00 O ATOM 891 CB PHE A 834 20.659 -2.472 8.623 1.00 0.00 C ATOM 892 CG PHE A 834 21.230 -3.779 9.107 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.610 -4.981 8.801 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.391 -3.804 9.861 1.00 0.00 C ATOM 895 CE1 PHE A 834 21.139 -6.181 9.238 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.924 -5.000 10.300 1.00 0.00 C ATOM 897 CZ PHE A 834 22.298 -6.190 9.989 1.00 0.00 C ATOM 0 H PHE A 834 22.302 -3.087 6.885 1.00 0.00 H new ATOM 0 HA PHE A 834 19.494 -3.151 6.948 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.374 -1.675 8.829 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.757 -2.247 9.192 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.703 -4.980 8.214 1.00 0.00 H new ATOM 0 HD2 PHE A 834 22.886 -2.877 10.109 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.647 -7.110 8.992 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.831 -5.004 10.887 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.713 -7.126 10.332 1.00 0.00 H new ATOM 907 N ALA A 835 20.746 -0.311 6.074 1.00 0.00 N ATOM 908 CA ALA A 835 20.365 0.985 5.528 1.00 0.00 C ATOM 909 C ALA A 835 19.295 0.798 4.457 1.00 0.00 C ATOM 910 O ALA A 835 18.257 1.468 4.462 1.00 0.00 O ATOM 911 CB ALA A 835 21.582 1.693 4.949 1.00 0.00 C ATOM 0 H ALA A 835 21.725 -0.562 5.934 1.00 0.00 H new ATOM 0 HA ALA A 835 19.959 1.604 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.282 2.660 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.324 1.842 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 835 22.013 1.085 4.153 1.00 0.00 H new ATOM 917 N ALA A 836 19.532 -0.164 3.579 1.00 0.00 N ATOM 918 CA ALA A 836 18.626 -0.428 2.474 1.00 0.00 C ATOM 919 C ALA A 836 17.443 -1.242 2.967 1.00 0.00 C ATOM 920 O ALA A 836 16.320 -1.090 2.486 1.00 0.00 O ATOM 921 CB ALA A 836 19.354 -1.149 1.350 1.00 0.00 C ATOM 0 H ALA A 836 20.347 -0.776 3.611 1.00 0.00 H new ATOM 0 HA ALA A 836 18.257 0.518 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.661 -1.339 0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.177 -0.529 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.747 -2.096 1.720 1.00 0.00 H new ATOM 927 N LEU A 837 17.709 -2.095 3.947 1.00 0.00 N ATOM 928 CA LEU A 837 16.673 -2.883 4.593 1.00 0.00 C ATOM 929 C LEU A 837 15.620 -1.965 5.210 1.00 0.00 C ATOM 930 O LEU A 837 14.421 -2.160 5.017 1.00 0.00 O ATOM 931 CB LEU A 837 17.306 -3.777 5.662 1.00 0.00 C ATOM 932 CG LEU A 837 16.331 -4.547 6.550 1.00 0.00 C ATOM 933 CD1 LEU A 837 15.867 -5.817 5.856 1.00 0.00 C ATOM 934 CD2 LEU A 837 16.984 -4.875 7.885 1.00 0.00 C ATOM 0 H LEU A 837 18.646 -2.259 4.314 1.00 0.00 H new ATOM 0 HA LEU A 837 16.181 -3.513 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.961 -4.494 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 837 17.936 -3.157 6.300 1.00 0.00 H new ATOM 0 HG LEU A 837 15.458 -3.921 6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 837 15.173 -6.353 6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 837 15.367 -5.560 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 837 16.728 -6.451 5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 837 16.279 -5.424 8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 837 17.871 -5.486 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 837 17.270 -3.951 8.387 1.00 0.00 H new ATOM 946 N ALA A 838 16.081 -0.945 5.928 1.00 0.00 N ATOM 947 CA ALA A 838 15.187 0.039 6.525 1.00 0.00 C ATOM 948 C ALA A 838 14.439 0.810 5.447 1.00 0.00 C ATOM 949 O ALA A 838 13.238 1.049 5.563 1.00 0.00 O ATOM 950 CB ALA A 838 15.963 0.996 7.420 1.00 0.00 C ATOM 0 H ALA A 838 17.071 -0.779 6.110 1.00 0.00 H new ATOM 0 HA ALA A 838 14.458 -0.492 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.278 1.723 7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.451 0.434 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.716 1.517 6.829 1.00 0.00 H new ATOM 956 N GLN A 839 15.154 1.187 4.392 1.00 0.00 N ATOM 957 CA GLN A 839 14.550 1.913 3.282 1.00 0.00 C ATOM 958 C GLN A 839 13.452 1.089 2.605 1.00 0.00 C ATOM 959 O GLN A 839 12.389 1.612 2.269 1.00 0.00 O ATOM 960 CB GLN A 839 15.622 2.308 2.264 1.00 0.00 C ATOM 961 CG GLN A 839 16.320 3.615 2.603 1.00 0.00 C ATOM 962 CD GLN A 839 15.340 4.709 2.978 1.00 0.00 C ATOM 963 OE1 GLN A 839 15.055 4.930 4.155 1.00 0.00 O ATOM 964 NE2 GLN A 839 14.803 5.386 1.978 1.00 0.00 N ATOM 0 H GLN A 839 16.151 1.002 4.283 1.00 0.00 H new ATOM 0 HA GLN A 839 14.089 2.816 3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.365 1.513 2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.164 2.394 1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 839 17.012 3.451 3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 839 16.914 3.939 1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 839 15.067 5.171 1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 839 14.125 6.124 2.168 1.00 0.00 H new ATOM 973 N THR A 840 13.698 -0.200 2.420 1.00 0.00 N ATOM 974 CA THR A 840 12.711 -1.077 1.808 1.00 0.00 C ATOM 975 C THR A 840 11.504 -1.271 2.731 1.00 0.00 C ATOM 976 O THR A 840 10.362 -1.321 2.271 1.00 0.00 O ATOM 977 CB THR A 840 13.318 -2.445 1.438 1.00 0.00 C ATOM 978 OG1 THR A 840 14.608 -2.265 0.837 1.00 0.00 O ATOM 979 CG2 THR A 840 12.416 -3.191 0.467 1.00 0.00 C ATOM 0 H THR A 840 14.569 -0.660 2.684 1.00 0.00 H new ATOM 0 HA THR A 840 12.378 -0.594 0.889 1.00 0.00 H new ATOM 0 HB THR A 840 13.416 -3.030 2.353 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.253 -1.993 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.864 -4.153 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.441 -3.352 0.927 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.295 -2.603 -0.443 1.00 0.00 H new ATOM 987 N ALA A 841 11.758 -1.359 4.034 1.00 0.00 N ATOM 988 CA ALA A 841 10.683 -1.464 5.016 1.00 0.00 C ATOM 989 C ALA A 841 9.848 -0.189 5.028 1.00 0.00 C ATOM 990 O ALA A 841 8.631 -0.231 5.212 1.00 0.00 O ATOM 991 CB ALA A 841 11.244 -1.743 6.400 1.00 0.00 C ATOM 0 H ALA A 841 12.697 -1.360 4.433 1.00 0.00 H new ATOM 0 HA ALA A 841 10.041 -2.298 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.426 -1.817 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.800 -2.681 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.910 -0.931 6.693 1.00 0.00 H new ATOM 997 N HIS A 842 10.516 0.944 4.830 1.00 0.00 N ATOM 998 CA HIS A 842 9.841 2.232 4.708 1.00 0.00 C ATOM 999 C HIS A 842 8.865 2.195 3.543 1.00 0.00 C ATOM 1000 O HIS A 842 7.711 2.608 3.661 1.00 0.00 O ATOM 1001 CB HIS A 842 10.862 3.352 4.481 1.00 0.00 C ATOM 1002 CG HIS A 842 11.342 3.996 5.741 1.00 0.00 C ATOM 1003 ND1 HIS A 842 11.517 5.353 5.875 1.00 0.00 N ATOM 1004 CD2 HIS A 842 11.684 3.457 6.929 1.00 0.00 C ATOM 1005 CE1 HIS A 842 11.940 5.622 7.094 1.00 0.00 C ATOM 1006 NE2 HIS A 842 12.051 4.486 7.756 1.00 0.00 N ATOM 0 H HIS A 842 11.532 0.995 4.750 1.00 0.00 H new ATOM 0 HA HIS A 842 9.299 2.428 5.633 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.718 2.946 3.942 1.00 0.00 H new ATOM 0 HB3 HIS A 842 10.415 4.114 3.842 1.00 0.00 H new ATOM 0 HD2 HIS A 842 11.671 2.407 7.182 1.00 0.00 H new ATOM 0 HE1 HIS A 842 12.159 6.605 7.485 1.00 0.00 H new ATOM 0 HE2 HIS A 842 12.359 4.390 8.724 1.00 0.00 H new ATOM 1015 N ARG A 843 9.346 1.676 2.422 1.00 0.00 N ATOM 1016 CA ARG A 843 8.532 1.537 1.228 1.00 0.00 C ATOM 1017 C ARG A 843 7.338 0.621 1.483 1.00 0.00 C ATOM 1018 O ARG A 843 6.213 0.938 1.101 1.00 0.00 O ATOM 1019 CB ARG A 843 9.383 0.990 0.079 1.00 0.00 C ATOM 1020 CG ARG A 843 8.582 0.624 -1.160 1.00 0.00 C ATOM 1021 CD ARG A 843 9.313 1.027 -2.429 1.00 0.00 C ATOM 1022 NE ARG A 843 8.666 0.498 -3.623 1.00 0.00 N ATOM 1023 CZ ARG A 843 7.806 1.188 -4.372 1.00 0.00 C ATOM 1024 NH1 ARG A 843 7.460 2.427 -4.037 1.00 0.00 N ATOM 1025 NH2 ARG A 843 7.284 0.631 -5.450 1.00 0.00 N ATOM 0 H ARG A 843 10.304 1.342 2.317 1.00 0.00 H new ATOM 0 HA ARG A 843 8.150 2.521 0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.132 1.734 -0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.921 0.108 0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.395 -0.450 -1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 843 7.610 1.116 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.357 2.114 -2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 843 10.341 0.668 -2.385 1.00 0.00 H new ATOM 0 HE ARG A 843 8.885 -0.458 -3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 843 7.853 2.858 -3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 843 6.801 2.947 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 843 7.539 -0.323 -5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 843 6.625 1.155 -6.027 1.00 0.00 H new ATOM 1039 N LEU A 844 7.593 -0.503 2.146 1.00 0.00 N ATOM 1040 CA LEU A 844 6.559 -1.503 2.400 1.00 0.00 C ATOM 1041 C LEU A 844 5.458 -0.953 3.302 1.00 0.00 C ATOM 1042 O LEU A 844 4.272 -1.156 3.038 1.00 0.00 O ATOM 1043 CB LEU A 844 7.173 -2.754 3.036 1.00 0.00 C ATOM 1044 CG LEU A 844 7.534 -3.891 2.072 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.095 -5.228 2.646 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.907 -3.676 0.700 1.00 0.00 C ATOM 0 H LEU A 844 8.511 -0.746 2.519 1.00 0.00 H new ATOM 0 HA LEU A 844 6.113 -1.766 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 844 8.075 -2.459 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.474 -3.141 3.777 1.00 0.00 H new ATOM 0 HG LEU A 844 8.617 -3.894 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.357 -6.026 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 844 7.596 -5.397 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.016 -5.221 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 844 7.182 -4.499 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.822 -3.637 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 844 7.267 -2.738 0.278 1.00 0.00 H new ATOM 1058 N LYS A 845 5.847 -0.255 4.360 1.00 0.00 N ATOM 1059 CA LYS A 845 4.875 0.356 5.253 1.00 0.00 C ATOM 1060 C LYS A 845 4.065 1.407 4.500 1.00 0.00 C ATOM 1061 O LYS A 845 2.863 1.555 4.720 1.00 0.00 O ATOM 1062 CB LYS A 845 5.569 0.962 6.484 1.00 0.00 C ATOM 1063 CG LYS A 845 5.934 2.435 6.347 1.00 0.00 C ATOM 1064 CD LYS A 845 7.134 2.793 7.203 1.00 0.00 C ATOM 1065 CE LYS A 845 6.896 2.449 8.662 1.00 0.00 C ATOM 1066 NZ LYS A 845 6.998 3.644 9.534 1.00 0.00 N ATOM 0 H LYS A 845 6.821 -0.099 4.619 1.00 0.00 H new ATOM 0 HA LYS A 845 4.191 -0.414 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 845 4.916 0.842 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.477 0.394 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 845 6.150 2.662 5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 845 5.082 3.050 6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 845 8.013 2.260 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 845 7.345 3.858 7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 845 5.908 2.001 8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.623 1.702 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 6.730 3.388 10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 7.976 3.997 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 6.359 4.386 9.183 1.00 0.00 H new ATOM 1080 N GLY A 846 4.730 2.107 3.584 1.00 0.00 N ATOM 1081 CA GLY A 846 4.068 3.116 2.786 1.00 0.00 C ATOM 1082 C GLY A 846 3.052 2.527 1.830 1.00 0.00 C ATOM 1083 O GLY A 846 1.901 2.962 1.797 1.00 0.00 O ATOM 0 H GLY A 846 5.723 1.989 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.571 3.828 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.814 3.673 2.220 1.00 0.00 H new ATOM 1087 N VAL A 847 3.466 1.524 1.058 1.00 0.00 N ATOM 1088 CA VAL A 847 2.583 0.920 0.067 1.00 0.00 C ATOM 1089 C VAL A 847 1.386 0.247 0.734 1.00 0.00 C ATOM 1090 O VAL A 847 0.258 0.369 0.258 1.00 0.00 O ATOM 1091 CB VAL A 847 3.317 -0.097 -0.844 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.214 0.628 -1.833 1.00 0.00 C ATOM 1093 CG2 VAL A 847 4.117 -1.102 -0.037 1.00 0.00 C ATOM 0 H VAL A 847 4.400 1.116 1.100 1.00 0.00 H new ATOM 0 HA VAL A 847 2.231 1.735 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 847 2.558 -0.651 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.722 -0.100 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.610 1.289 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.954 1.216 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.616 -1.797 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.863 -0.578 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.448 -1.655 0.622 1.00 0.00 H new ATOM 1103 N PHE A 848 1.624 -0.430 1.854 1.00 0.00 N ATOM 1104 CA PHE A 848 0.549 -1.088 2.580 1.00 0.00 C ATOM 1105 C PHE A 848 -0.422 -0.049 3.134 1.00 0.00 C ATOM 1106 O PHE A 848 -1.636 -0.250 3.114 1.00 0.00 O ATOM 1107 CB PHE A 848 1.123 -1.967 3.695 1.00 0.00 C ATOM 1108 CG PHE A 848 1.500 -3.353 3.225 1.00 0.00 C ATOM 1109 CD1 PHE A 848 1.494 -3.671 1.874 1.00 0.00 C ATOM 1110 CD2 PHE A 848 1.850 -4.338 4.134 1.00 0.00 C ATOM 1111 CE1 PHE A 848 1.832 -4.941 1.441 1.00 0.00 C ATOM 1112 CE2 PHE A 848 2.190 -5.610 3.707 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.178 -5.913 2.359 1.00 0.00 C ATOM 0 H PHE A 848 2.547 -0.535 2.274 1.00 0.00 H new ATOM 0 HA PHE A 848 -0.003 -1.734 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.003 -1.481 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.390 -2.049 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 848 1.222 -2.917 1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 848 1.858 -4.110 5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 848 1.825 -5.172 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 848 2.465 -6.366 4.428 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.438 -6.906 2.024 1.00 0.00 H new ATOM 1123 N ALA A 849 0.112 1.083 3.585 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.721 2.186 4.050 1.00 0.00 C ATOM 1125 C ALA A 849 -1.598 2.719 2.918 1.00 0.00 C ATOM 1126 O ALA A 849 -2.737 3.123 3.144 1.00 0.00 O ATOM 1127 CB ALA A 849 0.141 3.301 4.626 1.00 0.00 C ATOM 0 H ALA A 849 1.115 1.259 3.638 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.373 1.810 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.498 4.115 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.720 2.917 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.819 3.670 3.857 1.00 0.00 H new ATOM 1133 N MET A 850 -1.059 2.705 1.699 1.00 0.00 N ATOM 1134 CA MET A 850 -1.809 3.129 0.514 1.00 0.00 C ATOM 1135 C MET A 850 -3.032 2.248 0.312 1.00 0.00 C ATOM 1136 O MET A 850 -4.151 2.740 0.176 1.00 0.00 O ATOM 1137 CB MET A 850 -0.940 3.055 -0.745 1.00 0.00 C ATOM 1138 CG MET A 850 0.321 3.889 -0.673 1.00 0.00 C ATOM 1139 SD MET A 850 0.544 4.938 -2.121 1.00 0.00 S ATOM 1140 CE MET A 850 2.297 4.724 -2.421 1.00 0.00 C ATOM 0 H MET A 850 -0.104 2.404 1.505 1.00 0.00 H new ATOM 0 HA MET A 850 -2.119 4.161 0.678 1.00 0.00 H new ATOM 0 HB2 MET A 850 -0.666 2.015 -0.924 1.00 0.00 H new ATOM 0 HB3 MET A 850 -1.530 3.381 -1.601 1.00 0.00 H new ATOM 0 HG2 MET A 850 0.289 4.512 0.221 1.00 0.00 H new ATOM 0 HG3 MET A 850 1.183 3.229 -0.571 1.00 0.00 H new ATOM 0 HE1 MET A 850 2.592 5.313 -3.290 1.00 0.00 H new ATOM 0 HE2 MET A 850 2.859 5.058 -1.549 1.00 0.00 H new ATOM 0 HE3 MET A 850 2.508 3.671 -2.607 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.804 0.940 0.301 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.878 -0.026 0.082 1.00 0.00 C ATOM 1152 C LEU A 851 -4.709 -0.216 1.349 1.00 0.00 C ATOM 1153 O LEU A 851 -5.703 -0.939 1.343 1.00 0.00 O ATOM 1154 CB LEU A 851 -3.301 -1.370 -0.374 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.848 -1.327 -0.855 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -1.101 -2.570 -0.404 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -1.787 -1.195 -2.368 1.00 0.00 C ATOM 0 H LEU A 851 -1.884 0.522 0.441 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.529 0.365 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -3.372 -2.077 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.922 -1.759 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.369 -0.453 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.070 -2.522 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -1.112 -2.626 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.584 -3.455 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -0.746 -1.166 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.285 -2.048 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.286 -0.276 -2.673 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.263 0.420 2.436 1.00 0.00 N ATOM 1170 CA ASN A 852 -4.969 0.401 3.720 1.00 0.00 C ATOM 1171 C ASN A 852 -4.861 -0.974 4.359 1.00 0.00 C ATOM 1172 O ASN A 852 -5.768 -1.440 5.051 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.437 0.821 3.569 1.00 0.00 C ATOM 1174 CG ASN A 852 -6.709 2.188 4.168 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.427 2.317 5.160 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.131 3.223 3.575 1.00 0.00 N ATOM 0 H ASN A 852 -3.400 0.964 2.450 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.492 1.131 4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.703 0.830 2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.076 0.081 4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -6.275 4.165 3.939 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -5.542 3.077 2.755 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.729 -1.609 4.118 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.413 -2.898 4.702 1.00 0.00 C ATOM 1185 C LEU A 853 -2.944 -2.698 6.138 1.00 0.00 C ATOM 1186 O LEU A 853 -1.749 -2.789 6.426 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.320 -3.587 3.873 1.00 0.00 C ATOM 1188 CG LEU A 853 -2.782 -4.218 2.556 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -1.860 -5.358 2.164 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -4.218 -4.705 2.656 1.00 0.00 C ATOM 0 H LEU A 853 -2.999 -1.242 3.508 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.301 -3.531 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -1.543 -2.855 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -1.861 -4.363 4.485 1.00 0.00 H new ATOM 0 HG LEU A 853 -2.740 -3.452 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -2.202 -5.796 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -0.846 -4.979 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.870 -6.119 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -4.519 -5.148 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -4.295 -5.452 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -4.872 -3.864 2.887 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.894 -2.408 7.024 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.600 -2.060 8.414 1.00 0.00 C ATOM 1204 C VAL A 854 -2.665 -3.068 9.098 1.00 0.00 C ATOM 1205 O VAL A 854 -1.569 -2.690 9.518 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.894 -1.899 9.246 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -4.575 -1.414 10.653 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.860 -0.945 8.558 1.00 0.00 C ATOM 0 H VAL A 854 -4.889 -2.407 6.800 1.00 0.00 H new ATOM 0 HA VAL A 854 -3.081 -1.103 8.374 1.00 0.00 H new ATOM 0 HB VAL A 854 -5.372 -2.876 9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -5.500 -1.308 11.220 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.927 -2.136 11.149 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -4.070 -0.450 10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.764 -0.846 9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.389 0.032 8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.120 -1.337 7.575 1.00 0.00 H new ATOM 1218 N PRO A 855 -3.053 -4.359 9.213 1.00 0.00 N ATOM 1219 CA PRO A 855 -2.218 -5.361 9.886 1.00 0.00 C ATOM 1220 C PRO A 855 -0.835 -5.485 9.248 1.00 0.00 C ATOM 1221 O PRO A 855 0.173 -5.620 9.946 1.00 0.00 O ATOM 1222 CB PRO A 855 -3.005 -6.666 9.724 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.409 -6.236 9.471 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.312 -4.946 8.713 1.00 0.00 C ATOM 0 HA PRO A 855 -2.030 -5.096 10.926 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.618 -7.261 8.896 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.936 -7.283 10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.950 -6.987 8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.951 -6.100 10.407 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.280 -5.112 7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -5.166 -4.297 8.910 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.793 -5.426 7.922 1.00 0.00 N ATOM 1233 CA GLY A 856 0.466 -5.526 7.210 1.00 0.00 C ATOM 1234 C GLY A 856 1.368 -4.333 7.453 1.00 0.00 C ATOM 1235 O GLY A 856 2.558 -4.495 7.724 1.00 0.00 O ATOM 0 H GLY A 856 -1.612 -5.310 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 856 0.982 -6.436 7.517 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.269 -5.617 6.142 1.00 0.00 H new ATOM 1239 N LYS A 857 0.802 -3.137 7.360 1.00 0.00 N ATOM 1240 CA LYS A 857 1.553 -1.911 7.598 1.00 0.00 C ATOM 1241 C LYS A 857 2.062 -1.887 9.038 1.00 0.00 C ATOM 1242 O LYS A 857 3.181 -1.449 9.304 1.00 0.00 O ATOM 1243 CB LYS A 857 0.673 -0.685 7.300 1.00 0.00 C ATOM 1244 CG LYS A 857 0.978 0.536 8.159 1.00 0.00 C ATOM 1245 CD LYS A 857 -0.237 1.436 8.305 1.00 0.00 C ATOM 1246 CE LYS A 857 0.170 2.879 8.563 1.00 0.00 C ATOM 1247 NZ LYS A 857 -0.936 3.666 9.168 1.00 0.00 N ATOM 0 H LYS A 857 -0.178 -2.989 7.121 1.00 0.00 H new ATOM 0 HA LYS A 857 2.414 -1.878 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.792 -0.414 6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.372 -0.961 7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 857 1.313 0.213 9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.797 1.100 7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.842 1.383 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 857 -0.859 1.079 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 857 1.035 2.899 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 857 0.476 3.343 7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 -0.619 4.643 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -1.753 3.668 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 -1.211 3.238 10.075 1.00 0.00 H new ATOM 1261 N GLN A 858 1.238 -2.387 9.956 1.00 0.00 N ATOM 1262 CA GLN A 858 1.618 -2.497 11.360 1.00 0.00 C ATOM 1263 C GLN A 858 2.828 -3.412 11.513 1.00 0.00 C ATOM 1264 O GLN A 858 3.741 -3.118 12.284 1.00 0.00 O ATOM 1265 CB GLN A 858 0.451 -3.026 12.196 1.00 0.00 C ATOM 1266 CG GLN A 858 -0.563 -1.955 12.561 1.00 0.00 C ATOM 1267 CD GLN A 858 -0.212 -1.238 13.846 1.00 0.00 C ATOM 1268 OE1 GLN A 858 -0.247 -1.821 14.930 1.00 0.00 O ATOM 1269 NE2 GLN A 858 0.129 0.035 13.738 1.00 0.00 N ATOM 0 H GLN A 858 0.298 -2.724 9.750 1.00 0.00 H new ATOM 0 HA GLN A 858 1.880 -1.502 11.721 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.052 -3.819 11.643 1.00 0.00 H new ATOM 0 HB3 GLN A 858 0.842 -3.473 13.110 1.00 0.00 H new ATOM 0 HG2 GLN A 858 -0.628 -1.229 11.750 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -1.548 -2.411 12.661 1.00 0.00 H new ATOM 0 HE21 GLN A 858 0.146 0.482 12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 858 0.375 0.570 14.571 1.00 0.00 H new ATOM 1278 N LEU A 859 2.836 -4.509 10.761 1.00 0.00 N ATOM 1279 CA LEU A 859 3.958 -5.444 10.775 1.00 0.00 C ATOM 1280 C LEU A 859 5.230 -4.751 10.300 1.00 0.00 C ATOM 1281 O LEU A 859 6.303 -4.925 10.881 1.00 0.00 O ATOM 1282 CB LEU A 859 3.669 -6.653 9.880 1.00 0.00 C ATOM 1283 CG LEU A 859 2.729 -7.702 10.478 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.148 -8.579 9.379 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.463 -8.549 11.507 1.00 0.00 C ATOM 0 H LEU A 859 2.077 -4.773 10.133 1.00 0.00 H new ATOM 0 HA LEU A 859 4.097 -5.790 11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.239 -6.296 8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.615 -7.136 9.633 1.00 0.00 H new ATOM 0 HG LEU A 859 1.909 -7.188 10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.481 -9.320 9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.589 -7.960 8.677 1.00 0.00 H new ATOM 0 HD13 LEU A 859 2.957 -9.086 8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.780 -9.290 11.922 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.302 -9.056 11.030 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.834 -7.909 12.307 1.00 0.00 H new ATOM 1297 N CYS A 860 5.097 -3.954 9.247 1.00 0.00 N ATOM 1298 CA CYS A 860 6.223 -3.215 8.692 1.00 0.00 C ATOM 1299 C CYS A 860 6.707 -2.151 9.677 1.00 0.00 C ATOM 1300 O CYS A 860 7.884 -1.786 9.684 1.00 0.00 O ATOM 1301 CB CYS A 860 5.828 -2.564 7.366 1.00 0.00 C ATOM 1302 SG CYS A 860 4.991 -3.679 6.212 1.00 0.00 S ATOM 0 H CYS A 860 4.215 -3.803 8.758 1.00 0.00 H new ATOM 0 HA CYS A 860 7.038 -3.916 8.512 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.176 -1.715 7.571 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.724 -2.169 6.887 1.00 0.00 H new ATOM 0 HG CYS A 860 3.766 -3.868 6.603 1.00 0.00 H new ATOM 1308 N GLU A 861 5.794 -1.662 10.509 1.00 0.00 N ATOM 1309 CA GLU A 861 6.139 -0.691 11.538 1.00 0.00 C ATOM 1310 C GLU A 861 7.035 -1.334 12.592 1.00 0.00 C ATOM 1311 O GLU A 861 8.084 -0.789 12.954 1.00 0.00 O ATOM 1312 CB GLU A 861 4.880 -0.127 12.197 1.00 0.00 C ATOM 1313 CG GLU A 861 4.244 1.014 11.419 1.00 0.00 C ATOM 1314 CD GLU A 861 4.960 2.338 11.618 1.00 0.00 C ATOM 1315 OE1 GLU A 861 6.200 2.341 11.763 1.00 0.00 O ATOM 1316 OE2 GLU A 861 4.288 3.387 11.611 1.00 0.00 O ATOM 0 H GLU A 861 4.808 -1.923 10.490 1.00 0.00 H new ATOM 0 HA GLU A 861 6.678 0.129 11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.150 -0.928 12.312 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.130 0.222 13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.240 0.765 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.203 1.120 11.726 1.00 0.00 H new ATOM 1323 N THR A 862 6.629 -2.505 13.072 1.00 0.00 N ATOM 1324 CA THR A 862 7.424 -3.239 14.042 1.00 0.00 C ATOM 1325 C THR A 862 8.742 -3.689 13.419 1.00 0.00 C ATOM 1326 O THR A 862 9.773 -3.731 14.089 1.00 0.00 O ATOM 1327 CB THR A 862 6.660 -4.458 14.594 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.255 -4.284 14.380 1.00 0.00 O ATOM 1329 CG2 THR A 862 6.934 -4.636 16.081 1.00 0.00 C ATOM 0 H THR A 862 5.757 -2.962 12.805 1.00 0.00 H new ATOM 0 HA THR A 862 7.631 -2.566 14.874 1.00 0.00 H new ATOM 0 HB THR A 862 7.002 -5.350 14.069 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.772 -5.061 14.730 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.385 -5.502 16.451 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.002 -4.789 16.239 1.00 0.00 H new ATOM 0 HG23 THR A 862 6.612 -3.745 16.620 1.00 0.00 H new ATOM 1337 N LEU A 863 8.704 -4.001 12.127 1.00 0.00 N ATOM 1338 CA LEU A 863 9.909 -4.346 11.386 1.00 0.00 C ATOM 1339 C LEU A 863 10.874 -3.165 11.373 1.00 0.00 C ATOM 1340 O LEU A 863 12.072 -3.338 11.569 1.00 0.00 O ATOM 1341 CB LEU A 863 9.566 -4.757 9.952 1.00 0.00 C ATOM 1342 CG LEU A 863 10.371 -5.941 9.401 1.00 0.00 C ATOM 1343 CD1 LEU A 863 9.592 -6.654 8.307 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.720 -5.476 8.874 1.00 0.00 C ATOM 0 H LEU A 863 7.849 -4.021 11.572 1.00 0.00 H new ATOM 0 HA LEU A 863 10.386 -5.191 11.883 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.506 -5.007 9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 863 9.720 -3.898 9.298 1.00 0.00 H new ATOM 0 HG LEU A 863 10.544 -6.643 10.216 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.179 -7.491 7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 863 8.651 -7.025 8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 863 9.387 -5.958 7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 863 12.274 -6.331 8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 863 11.568 -4.751 8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 863 12.286 -5.012 9.682 1.00 0.00 H new ATOM 1356 N GLU A 864 10.339 -1.965 11.149 1.00 0.00 N ATOM 1357 CA GLU A 864 11.138 -0.743 11.182 1.00 0.00 C ATOM 1358 C GLU A 864 11.853 -0.609 12.521 1.00 0.00 C ATOM 1359 O GLU A 864 13.046 -0.299 12.581 1.00 0.00 O ATOM 1360 CB GLU A 864 10.243 0.476 10.944 1.00 0.00 C ATOM 1361 CG GLU A 864 10.641 1.295 9.730 1.00 0.00 C ATOM 1362 CD GLU A 864 10.700 2.779 10.027 1.00 0.00 C ATOM 1363 OE1 GLU A 864 9.629 3.415 10.119 1.00 0.00 O ATOM 1364 OE2 GLU A 864 11.815 3.323 10.150 1.00 0.00 O ATOM 0 H GLU A 864 9.352 -1.814 10.942 1.00 0.00 H new ATOM 0 HA GLU A 864 11.886 -0.797 10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.212 0.142 10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.270 1.114 11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 864 11.615 0.960 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 864 9.928 1.117 8.925 1.00 0.00 H new ATOM 1371 N HIS A 865 11.118 -0.868 13.595 1.00 0.00 N ATOM 1372 CA HIS A 865 11.686 -0.823 14.938 1.00 0.00 C ATOM 1373 C HIS A 865 12.687 -1.959 15.139 1.00 0.00 C ATOM 1374 O HIS A 865 13.634 -1.831 15.909 1.00 0.00 O ATOM 1375 CB HIS A 865 10.577 -0.906 15.992 1.00 0.00 C ATOM 1376 CG HIS A 865 11.059 -0.666 17.389 1.00 0.00 C ATOM 1377 ND1 HIS A 865 11.224 0.589 17.919 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.441 -1.532 18.355 1.00 0.00 C ATOM 1379 CE1 HIS A 865 11.688 0.487 19.149 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.832 -0.792 19.443 1.00 0.00 N ATOM 0 H HIS A 865 10.128 -1.111 13.563 1.00 0.00 H new ATOM 0 HA HIS A 865 12.210 0.126 15.054 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.804 -0.175 15.753 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.112 -1.890 15.941 1.00 0.00 H new ATOM 0 HD2 HIS A 865 11.439 -2.610 18.283 1.00 0.00 H new ATOM 0 HE1 HIS A 865 11.913 1.313 19.807 1.00 0.00 H new ATOM 0 HE2 HIS A 865 12.175 -1.166 20.328 1.00 0.00 H new ATOM 1389 N LEU A 866 12.477 -3.070 14.456 1.00 0.00 N ATOM 1390 CA LEU A 866 13.401 -4.190 14.535 1.00 0.00 C ATOM 1391 C LEU A 866 14.716 -3.842 13.850 1.00 0.00 C ATOM 1392 O LEU A 866 15.787 -4.253 14.296 1.00 0.00 O ATOM 1393 CB LEU A 866 12.786 -5.433 13.898 1.00 0.00 C ATOM 1394 CG LEU A 866 11.979 -6.305 14.856 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.903 -7.065 14.103 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.895 -7.264 15.598 1.00 0.00 C ATOM 0 H LEU A 866 11.677 -3.222 13.841 1.00 0.00 H new ATOM 0 HA LEU A 866 13.601 -4.400 15.586 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.139 -5.122 13.078 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.584 -6.035 13.464 1.00 0.00 H new ATOM 0 HG LEU A 866 11.493 -5.660 15.588 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.337 -7.682 14.801 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.231 -6.358 13.616 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.367 -7.702 13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 866 12.305 -7.879 16.277 1.00 0.00 H new ATOM 0 HD22 LEU A 866 13.408 -7.905 14.881 1.00 0.00 H new ATOM 0 HD23 LEU A 866 13.630 -6.697 16.169 1.00 0.00 H new ATOM 1408 N ILE A 867 14.629 -3.074 12.769 1.00 0.00 N ATOM 1409 CA ILE A 867 15.815 -2.610 12.063 1.00 0.00 C ATOM 1410 C ILE A 867 16.573 -1.593 12.909 1.00 0.00 C ATOM 1411 O ILE A 867 17.801 -1.630 12.986 1.00 0.00 O ATOM 1412 CB ILE A 867 15.467 -1.983 10.697 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.667 -2.971 9.849 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.733 -1.559 9.966 1.00 0.00 C ATOM 1415 CD1 ILE A 867 13.805 -2.304 8.803 1.00 0.00 C ATOM 0 H ILE A 867 13.747 -2.760 12.363 1.00 0.00 H new ATOM 0 HA ILE A 867 16.443 -3.483 11.885 1.00 0.00 H new ATOM 0 HB ILE A 867 14.856 -1.097 10.868 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.356 -3.657 9.357 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.033 -3.570 10.503 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.468 -1.119 9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.271 -0.824 10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.368 -2.430 9.804 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.265 -3.064 8.238 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.092 -1.639 9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.435 -1.728 8.126 1.00 0.00 H new ATOM 1427 N ARG A 868 15.836 -0.697 13.562 1.00 0.00 N ATOM 1428 CA ARG A 868 16.445 0.297 14.441 1.00 0.00 C ATOM 1429 C ARG A 868 17.110 -0.389 15.639 1.00 0.00 C ATOM 1430 O ARG A 868 18.128 0.077 16.154 1.00 0.00 O ATOM 1431 CB ARG A 868 15.397 1.330 14.899 1.00 0.00 C ATOM 1432 CG ARG A 868 14.610 0.928 16.135 1.00 0.00 C ATOM 1433 CD ARG A 868 14.979 1.749 17.365 1.00 0.00 C ATOM 1434 NE ARG A 868 15.802 2.919 17.058 1.00 0.00 N ATOM 1435 CZ ARG A 868 16.083 3.878 17.942 1.00 0.00 C ATOM 1436 NH1 ARG A 868 15.641 3.790 19.194 1.00 0.00 N ATOM 1437 NH2 ARG A 868 16.827 4.913 17.578 1.00 0.00 N ATOM 0 H ARG A 868 14.820 -0.639 13.499 1.00 0.00 H new ATOM 0 HA ARG A 868 17.217 0.830 13.886 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.901 2.276 15.097 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.698 1.506 14.081 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.545 1.042 15.934 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.784 -0.128 16.343 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.065 2.077 17.861 1.00 0.00 H new ATOM 0 HD3 ARG A 868 15.514 1.113 18.070 1.00 0.00 H new ATOM 0 HE ARG A 868 16.182 3.006 16.116 1.00 0.00 H new ATOM 0 HH11 ARG A 868 15.084 2.986 19.483 1.00 0.00 H new ATOM 0 HH12 ARG A 868 15.859 4.527 19.865 1.00 0.00 H new ATOM 0 HH21 ARG A 868 17.183 4.975 16.624 1.00 0.00 H new ATOM 0 HH22 ARG A 868 17.043 5.648 18.252 1.00 0.00 H new ATOM 1451 N GLU A 869 16.529 -1.503 16.075 1.00 0.00 N ATOM 1452 CA GLU A 869 17.093 -2.300 17.142 1.00 0.00 C ATOM 1453 C GLU A 869 18.201 -3.212 16.617 1.00 0.00 C ATOM 1454 O GLU A 869 18.973 -3.775 17.392 1.00 0.00 O ATOM 1455 CB GLU A 869 15.985 -3.134 17.774 1.00 0.00 C ATOM 1456 CG GLU A 869 15.886 -2.971 19.271 1.00 0.00 C ATOM 1457 CD GLU A 869 15.030 -1.793 19.689 1.00 0.00 C ATOM 1458 OE1 GLU A 869 15.361 -0.647 19.320 1.00 0.00 O ATOM 1459 OE2 GLU A 869 14.023 -2.008 20.402 1.00 0.00 O ATOM 0 H GLU A 869 15.657 -1.872 15.695 1.00 0.00 H new ATOM 0 HA GLU A 869 17.531 -1.637 17.888 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.032 -2.858 17.323 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.155 -4.185 17.542 1.00 0.00 H new ATOM 0 HG2 GLU A 869 15.473 -3.883 19.702 1.00 0.00 H new ATOM 0 HG3 GLU A 869 16.887 -2.848 19.683 1.00 0.00 H new ATOM 1466 N LYS A 870 18.263 -3.340 15.291 1.00 0.00 N ATOM 1467 CA LYS A 870 19.226 -4.211 14.617 1.00 0.00 C ATOM 1468 C LYS A 870 19.073 -5.659 15.068 1.00 0.00 C ATOM 1469 O LYS A 870 20.054 -6.387 15.221 1.00 0.00 O ATOM 1470 CB LYS A 870 20.658 -3.723 14.848 1.00 0.00 C ATOM 1471 CG LYS A 870 21.283 -3.084 13.618 1.00 0.00 C ATOM 1472 CD LYS A 870 20.943 -1.607 13.524 1.00 0.00 C ATOM 1473 CE LYS A 870 21.644 -0.941 12.351 1.00 0.00 C ATOM 1474 NZ LYS A 870 22.540 0.158 12.794 1.00 0.00 N ATOM 0 H LYS A 870 17.644 -2.841 14.652 1.00 0.00 H new ATOM 0 HA LYS A 870 19.017 -4.169 13.548 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.661 -3.001 15.665 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.274 -4.565 15.164 1.00 0.00 H new ATOM 0 HG2 LYS A 870 22.365 -3.208 13.653 1.00 0.00 H new ATOM 0 HG3 LYS A 870 20.932 -3.597 12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 870 19.865 -1.488 13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.230 -1.108 14.450 1.00 0.00 H new ATOM 0 HE2 LYS A 870 22.224 -1.685 11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 870 20.900 -0.546 11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 22.999 0.587 11.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 21.983 0.880 13.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 23.266 -0.223 13.434 1.00 0.00 H new ATOM 1488 N ASP A 871 17.834 -6.074 15.269 1.00 0.00 N ATOM 1489 CA ASP A 871 17.547 -7.434 15.697 1.00 0.00 C ATOM 1490 C ASP A 871 17.340 -8.328 14.485 1.00 0.00 C ATOM 1491 O ASP A 871 16.218 -8.495 14.007 1.00 0.00 O ATOM 1492 CB ASP A 871 16.315 -7.470 16.599 1.00 0.00 C ATOM 1493 CG ASP A 871 16.568 -8.229 17.883 1.00 0.00 C ATOM 1494 OD1 ASP A 871 17.269 -9.262 17.845 1.00 0.00 O ATOM 1495 OD2 ASP A 871 16.077 -7.792 18.947 1.00 0.00 O ATOM 0 H ASP A 871 17.009 -5.488 15.143 1.00 0.00 H new ATOM 0 HA ASP A 871 18.398 -7.803 16.269 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.010 -6.451 16.836 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.487 -7.933 16.062 1.00 0.00 H new ATOM 1500 N VAL A 872 18.437 -8.903 14.006 1.00 0.00 N ATOM 1501 CA VAL A 872 18.451 -9.666 12.754 1.00 0.00 C ATOM 1502 C VAL A 872 17.384 -10.770 12.715 1.00 0.00 C ATOM 1503 O VAL A 872 16.560 -10.783 11.799 1.00 0.00 O ATOM 1504 CB VAL A 872 19.836 -10.290 12.473 1.00 0.00 C ATOM 1505 CG1 VAL A 872 20.010 -10.558 10.985 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.950 -9.391 12.988 1.00 0.00 C ATOM 0 H VAL A 872 19.344 -8.856 14.471 1.00 0.00 H new ATOM 0 HA VAL A 872 18.219 -8.940 11.975 1.00 0.00 H new ATOM 0 HB VAL A 872 19.894 -11.240 13.004 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.991 -10.997 10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.237 -11.248 10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.927 -9.621 10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.915 -9.852 12.779 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.895 -8.422 12.491 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.839 -9.254 14.064 1.00 0.00 H new ATOM 1516 N PRO A 873 17.366 -11.706 13.693 1.00 0.00 N ATOM 1517 CA PRO A 873 16.393 -12.810 13.710 1.00 0.00 C ATOM 1518 C PRO A 873 14.948 -12.314 13.683 1.00 0.00 C ATOM 1519 O PRO A 873 14.082 -12.920 13.049 1.00 0.00 O ATOM 1520 CB PRO A 873 16.680 -13.540 15.029 1.00 0.00 C ATOM 1521 CG PRO A 873 17.491 -12.587 15.838 1.00 0.00 C ATOM 1522 CD PRO A 873 18.278 -11.781 14.848 1.00 0.00 C ATOM 0 HA PRO A 873 16.496 -13.445 12.830 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.755 -13.803 15.542 1.00 0.00 H new ATOM 0 HB3 PRO A 873 17.223 -14.469 14.854 1.00 0.00 H new ATOM 0 HG2 PRO A 873 16.852 -11.946 16.445 1.00 0.00 H new ATOM 0 HG3 PRO A 873 18.151 -13.119 16.523 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.523 -10.792 15.235 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.220 -12.265 14.589 1.00 0.00 H new ATOM 1530 N GLY A 874 14.700 -11.203 14.367 1.00 0.00 N ATOM 1531 CA GLY A 874 13.370 -10.630 14.396 1.00 0.00 C ATOM 1532 C GLY A 874 13.003 -10.002 13.071 1.00 0.00 C ATOM 1533 O GLY A 874 11.874 -10.142 12.604 1.00 0.00 O ATOM 0 H GLY A 874 15.399 -10.689 14.903 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.645 -11.405 14.645 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.315 -9.878 15.183 1.00 0.00 H new ATOM 1537 N ILE A 875 13.969 -9.321 12.462 1.00 0.00 N ATOM 1538 CA ILE A 875 13.765 -8.693 11.165 1.00 0.00 C ATOM 1539 C ILE A 875 13.364 -9.733 10.125 1.00 0.00 C ATOM 1540 O ILE A 875 12.302 -9.624 9.509 1.00 0.00 O ATOM 1541 CB ILE A 875 15.034 -7.950 10.682 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.300 -6.717 11.549 1.00 0.00 C ATOM 1543 CG2 ILE A 875 14.903 -7.549 9.216 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.737 -6.234 11.494 1.00 0.00 C ATOM 0 H ILE A 875 14.904 -9.191 12.849 1.00 0.00 H new ATOM 0 HA ILE A 875 12.963 -7.964 11.284 1.00 0.00 H new ATOM 0 HB ILE A 875 15.880 -8.630 10.777 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.642 -5.909 11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.042 -6.948 12.583 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.807 -7.028 8.899 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.765 -8.441 8.606 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.043 -6.890 9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.851 -5.358 12.132 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.400 -7.026 11.842 1.00 0.00 H new ATOM 0 HD13 ILE A 875 16.993 -5.971 10.468 1.00 0.00 H new ATOM 1556 N GLU A 876 14.202 -10.751 9.955 1.00 0.00 N ATOM 1557 CA GLU A 876 13.960 -11.767 8.938 1.00 0.00 C ATOM 1558 C GLU A 876 12.658 -12.515 9.213 1.00 0.00 C ATOM 1559 O GLU A 876 11.897 -12.797 8.288 1.00 0.00 O ATOM 1560 CB GLU A 876 15.135 -12.750 8.839 1.00 0.00 C ATOM 1561 CG GLU A 876 15.635 -13.270 10.179 1.00 0.00 C ATOM 1562 CD GLU A 876 16.598 -14.432 10.037 1.00 0.00 C ATOM 1563 OE1 GLU A 876 16.654 -15.041 8.947 1.00 0.00 O ATOM 1564 OE2 GLU A 876 17.300 -14.748 11.021 1.00 0.00 O ATOM 0 H GLU A 876 15.049 -10.894 10.505 1.00 0.00 H new ATOM 0 HA GLU A 876 13.867 -11.256 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.833 -13.598 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.960 -12.260 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.127 -12.460 10.717 1.00 0.00 H new ATOM 0 HG3 GLU A 876 14.783 -13.582 10.783 1.00 0.00 H new ATOM 1571 N LYS A 877 12.389 -12.806 10.486 1.00 0.00 N ATOM 1572 CA LYS A 877 11.157 -13.489 10.869 1.00 0.00 C ATOM 1573 C LYS A 877 9.938 -12.682 10.436 1.00 0.00 C ATOM 1574 O LYS A 877 8.966 -13.235 9.918 1.00 0.00 O ATOM 1575 CB LYS A 877 11.109 -13.717 12.380 1.00 0.00 C ATOM 1576 CG LYS A 877 10.095 -14.769 12.803 1.00 0.00 C ATOM 1577 CD LYS A 877 8.962 -14.164 13.618 1.00 0.00 C ATOM 1578 CE LYS A 877 8.793 -14.883 14.947 1.00 0.00 C ATOM 1579 NZ LYS A 877 7.382 -14.870 15.421 1.00 0.00 N ATOM 0 H LYS A 877 13.006 -12.580 11.266 1.00 0.00 H new ATOM 0 HA LYS A 877 11.142 -14.456 10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 877 12.098 -14.017 12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.871 -12.775 12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 877 9.686 -15.257 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 877 10.594 -15.540 13.390 1.00 0.00 H new ATOM 0 HD2 LYS A 877 9.163 -13.108 13.796 1.00 0.00 H new ATOM 0 HD3 LYS A 877 8.033 -14.220 13.051 1.00 0.00 H new ATOM 0 HE2 LYS A 877 9.130 -15.915 14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 877 9.430 -14.412 15.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 7.316 -15.372 16.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 7.066 -13.887 15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 6.776 -15.343 14.720 1.00 0.00 H new ATOM 1593 N TYR A 878 10.001 -11.374 10.637 1.00 0.00 N ATOM 1594 CA TYR A 878 8.889 -10.501 10.298 1.00 0.00 C ATOM 1595 C TYR A 878 8.702 -10.410 8.786 1.00 0.00 C ATOM 1596 O TYR A 878 7.579 -10.278 8.306 1.00 0.00 O ATOM 1597 CB TYR A 878 9.098 -9.108 10.890 1.00 0.00 C ATOM 1598 CG TYR A 878 8.444 -8.918 12.241 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.716 -9.781 13.296 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.561 -7.870 12.464 1.00 0.00 C ATOM 1601 CE1 TYR A 878 8.128 -9.603 14.534 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.969 -7.687 13.699 1.00 0.00 C ATOM 1603 CZ TYR A 878 7.258 -8.554 14.730 1.00 0.00 C ATOM 1604 OH TYR A 878 6.677 -8.366 15.965 1.00 0.00 O ATOM 0 H TYR A 878 10.810 -10.895 11.033 1.00 0.00 H new ATOM 0 HA TYR A 878 7.984 -10.932 10.728 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.167 -8.919 10.984 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.703 -8.365 10.197 1.00 0.00 H new ATOM 0 HD1 TYR A 878 9.398 -10.605 13.146 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.333 -7.187 11.659 1.00 0.00 H new ATOM 0 HE1 TYR A 878 8.350 -10.283 15.343 1.00 0.00 H new ATOM 0 HE2 TYR A 878 6.283 -6.868 13.855 1.00 0.00 H new ATOM 0 HH TYR A 878 6.091 -7.581 15.935 1.00 0.00 H new ATOM 1614 N ILE A 879 9.797 -10.488 8.037 1.00 0.00 N ATOM 1615 CA ILE A 879 9.708 -10.492 6.579 1.00 0.00 C ATOM 1616 C ILE A 879 8.953 -11.732 6.099 1.00 0.00 C ATOM 1617 O ILE A 879 8.114 -11.653 5.199 1.00 0.00 O ATOM 1618 CB ILE A 879 11.094 -10.441 5.897 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.955 -9.329 6.500 1.00 0.00 C ATOM 1620 CG2 ILE A 879 10.934 -10.227 4.398 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.413 -9.399 6.091 1.00 0.00 C ATOM 0 H ILE A 879 10.745 -10.549 8.408 1.00 0.00 H new ATOM 0 HA ILE A 879 9.167 -9.589 6.296 1.00 0.00 H new ATOM 0 HB ILE A 879 11.596 -11.394 6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.548 -8.363 6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.889 -9.379 7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 879 11.917 -10.193 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.357 -11.048 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.413 -9.287 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.961 -8.580 6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.837 -10.350 6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.491 -9.318 5.007 1.00 0.00 H new ATOM 1633 N SER A 880 9.245 -12.878 6.708 1.00 0.00 N ATOM 1634 CA SER A 880 8.520 -14.105 6.395 1.00 0.00 C ATOM 1635 C SER A 880 7.052 -13.973 6.794 1.00 0.00 C ATOM 1636 O SER A 880 6.172 -14.494 6.115 1.00 0.00 O ATOM 1637 CB SER A 880 9.153 -15.305 7.101 1.00 0.00 C ATOM 1638 OG SER A 880 10.090 -14.886 8.074 1.00 0.00 O ATOM 0 H SER A 880 9.972 -12.982 7.415 1.00 0.00 H new ATOM 0 HA SER A 880 8.578 -14.269 5.319 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.375 -15.904 7.575 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.646 -15.944 6.368 1.00 0.00 H new ATOM 0 HG SER A 880 9.624 -14.413 8.795 1.00 0.00 H new ATOM 1644 N ASP A 881 6.798 -13.254 7.885 1.00 0.00 N ATOM 1645 CA ASP A 881 5.433 -13.019 8.351 1.00 0.00 C ATOM 1646 C ASP A 881 4.676 -12.131 7.369 1.00 0.00 C ATOM 1647 O ASP A 881 3.476 -12.290 7.168 1.00 0.00 O ATOM 1648 CB ASP A 881 5.437 -12.374 9.738 1.00 0.00 C ATOM 1649 CG ASP A 881 4.524 -13.093 10.708 1.00 0.00 C ATOM 1650 OD1 ASP A 881 4.988 -14.052 11.366 1.00 0.00 O ATOM 1651 OD2 ASP A 881 3.340 -12.714 10.812 1.00 0.00 O ATOM 0 H ASP A 881 7.520 -12.824 8.463 1.00 0.00 H new ATOM 0 HA ASP A 881 4.929 -13.984 8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.453 -12.372 10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 881 5.126 -11.333 9.653 1.00 0.00 H new ATOM 1656 N ILE A 882 5.388 -11.194 6.761 1.00 0.00 N ATOM 1657 CA ILE A 882 4.820 -10.357 5.712 1.00 0.00 C ATOM 1658 C ILE A 882 4.545 -11.197 4.464 1.00 0.00 C ATOM 1659 O ILE A 882 3.569 -10.973 3.743 1.00 0.00 O ATOM 1660 CB ILE A 882 5.754 -9.172 5.364 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.765 -8.164 6.516 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.322 -8.491 4.069 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.688 -6.985 6.287 1.00 0.00 C ATOM 0 H ILE A 882 6.364 -10.993 6.976 1.00 0.00 H new ATOM 0 HA ILE A 882 3.882 -9.944 6.082 1.00 0.00 H new ATOM 0 HB ILE A 882 6.761 -9.561 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.752 -7.795 6.673 1.00 0.00 H new ATOM 0 HG13 ILE A 882 6.064 -8.675 7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 882 5.997 -7.663 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.354 -9.211 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.306 -8.112 4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.642 -6.315 7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.710 -7.342 6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.377 -6.448 5.391 1.00 0.00 H new ATOM 1675 N ASP A 883 5.394 -12.189 4.236 1.00 0.00 N ATOM 1676 CA ASP A 883 5.268 -13.047 3.068 1.00 0.00 C ATOM 1677 C ASP A 883 4.079 -13.972 3.242 1.00 0.00 C ATOM 1678 O ASP A 883 3.307 -14.200 2.311 1.00 0.00 O ATOM 1679 CB ASP A 883 6.547 -13.859 2.869 1.00 0.00 C ATOM 1680 CG ASP A 883 6.417 -14.898 1.771 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.530 -14.539 0.580 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.201 -16.082 2.095 1.00 0.00 O ATOM 0 H ASP A 883 6.178 -12.419 4.846 1.00 0.00 H new ATOM 0 HA ASP A 883 5.111 -12.428 2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.368 -13.183 2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 883 6.806 -14.355 3.804 1.00 0.00 H new ATOM 1687 N SER A 884 3.933 -14.486 4.455 1.00 0.00 N ATOM 1688 CA SER A 884 2.814 -15.337 4.800 1.00 0.00 C ATOM 1689 C SER A 884 1.531 -14.514 4.870 1.00 0.00 C ATOM 1690 O SER A 884 0.444 -15.015 4.582 1.00 0.00 O ATOM 1691 CB SER A 884 3.088 -16.032 6.131 1.00 0.00 C ATOM 1692 OG SER A 884 3.616 -15.131 7.082 1.00 0.00 O ATOM 0 H SER A 884 4.586 -14.323 5.221 1.00 0.00 H new ATOM 0 HA SER A 884 2.687 -16.098 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.165 -16.467 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.788 -16.853 5.977 1.00 0.00 H new ATOM 0 HG SER A 884 3.314 -14.222 6.875 1.00 0.00 H new ATOM 1698 N TYR A 885 1.684 -13.245 5.240 1.00 0.00 N ATOM 1699 CA TYR A 885 0.582 -12.283 5.241 1.00 0.00 C ATOM 1700 C TYR A 885 -0.013 -12.186 3.857 1.00 0.00 C ATOM 1701 O TYR A 885 -1.201 -12.408 3.632 1.00 0.00 O ATOM 1702 CB TYR A 885 1.110 -10.901 5.617 1.00 0.00 C ATOM 1703 CG TYR A 885 0.037 -9.855 5.830 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.808 -9.900 6.929 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.127 -8.822 4.917 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.786 -8.941 7.115 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.102 -7.859 5.095 1.00 0.00 C ATOM 1708 CZ TYR A 885 -1.931 -7.923 6.194 1.00 0.00 C ATOM 1709 OH TYR A 885 -2.900 -6.961 6.375 1.00 0.00 O ATOM 0 H TYR A 885 2.574 -12.854 5.548 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.170 -12.616 5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.701 -10.988 6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.784 -10.557 4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.700 -10.696 7.650 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.519 -8.770 4.053 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.434 -8.988 7.978 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.214 -7.060 4.377 1.00 0.00 H new ATOM 0 HH TYR A 885 -2.865 -6.318 5.636 1.00 0.00 H new ATOM 1719 N VAL A 886 0.860 -11.848 2.940 1.00 0.00 N ATOM 1720 CA VAL A 886 0.520 -11.667 1.554 1.00 0.00 C ATOM 1721 C VAL A 886 0.034 -12.987 0.945 1.00 0.00 C ATOM 1722 O VAL A 886 -0.839 -12.997 0.080 1.00 0.00 O ATOM 1723 CB VAL A 886 1.758 -11.094 0.832 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.081 -11.829 -0.459 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.576 -9.606 0.569 1.00 0.00 C ATOM 0 H VAL A 886 1.847 -11.688 3.143 1.00 0.00 H new ATOM 0 HA VAL A 886 -0.305 -10.963 1.442 1.00 0.00 H new ATOM 0 HB VAL A 886 2.609 -11.242 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 886 2.961 -11.382 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 886 2.280 -12.878 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 886 1.234 -11.755 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.457 -9.216 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 886 0.697 -9.452 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.443 -9.083 1.516 1.00 0.00 H new ATOM 1735 N LYS A 887 0.578 -14.096 1.445 1.00 0.00 N ATOM 1736 CA LYS A 887 0.166 -15.429 1.013 1.00 0.00 C ATOM 1737 C LYS A 887 -1.300 -15.690 1.355 1.00 0.00 C ATOM 1738 O LYS A 887 -2.056 -16.220 0.536 1.00 0.00 O ATOM 1739 CB LYS A 887 1.034 -16.497 1.687 1.00 0.00 C ATOM 1740 CG LYS A 887 2.107 -17.086 0.787 1.00 0.00 C ATOM 1741 CD LYS A 887 3.268 -17.633 1.604 1.00 0.00 C ATOM 1742 CE LYS A 887 4.166 -18.535 0.771 1.00 0.00 C ATOM 1743 NZ LYS A 887 5.395 -17.835 0.317 1.00 0.00 N ATOM 0 H LYS A 887 1.310 -14.096 2.155 1.00 0.00 H new ATOM 0 HA LYS A 887 0.291 -15.480 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 887 1.511 -16.061 2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 887 0.390 -17.302 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 887 1.679 -17.883 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 887 2.470 -16.321 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 887 3.854 -16.805 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 887 2.882 -18.191 2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.444 -19.411 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 887 3.613 -18.895 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.081 -18.532 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 5.154 -17.169 -0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 5.812 -17.313 1.114 1.00 0.00 H new ATOM 1757 N SER A 888 -1.700 -15.314 2.564 1.00 0.00 N ATOM 1758 CA SER A 888 -3.057 -15.571 3.029 1.00 0.00 C ATOM 1759 C SER A 888 -4.027 -14.523 2.492 1.00 0.00 C ATOM 1760 O SER A 888 -5.233 -14.763 2.414 1.00 0.00 O ATOM 1761 CB SER A 888 -3.109 -15.595 4.557 1.00 0.00 C ATOM 1762 OG SER A 888 -2.103 -14.772 5.123 1.00 0.00 O ATOM 0 H SER A 888 -1.106 -14.832 3.238 1.00 0.00 H new ATOM 0 HA SER A 888 -3.358 -16.548 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 888 -4.089 -15.258 4.894 1.00 0.00 H new ATOM 0 HB3 SER A 888 -2.985 -16.619 4.911 1.00 0.00 H new ATOM 0 HG SER A 888 -1.245 -15.245 5.105 1.00 0.00 H new ATOM 1768 N LEU A 889 -3.498 -13.359 2.140 1.00 0.00 N ATOM 1769 CA LEU A 889 -4.311 -12.296 1.566 1.00 0.00 C ATOM 1770 C LEU A 889 -4.609 -12.583 0.100 1.00 0.00 C ATOM 1771 O LEU A 889 -5.628 -12.139 -0.434 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.606 -10.948 1.709 1.00 0.00 C ATOM 1773 CG LEU A 889 -4.234 -9.999 2.731 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -3.933 -10.463 4.147 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -3.738 -8.578 2.516 1.00 0.00 C ATOM 0 H LEU A 889 -2.510 -13.127 2.242 1.00 0.00 H new ATOM 0 HA LEU A 889 -5.255 -12.255 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.568 -11.125 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.594 -10.455 0.737 1.00 0.00 H new ATOM 0 HG LEU A 889 -5.315 -10.009 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -4.388 -9.775 4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -4.341 -11.463 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.854 -10.484 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.196 -7.918 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -2.654 -8.550 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -4.008 -8.246 1.513 1.00 0.00 H new ATOM 1787 N LEU A 890 -3.705 -13.314 -0.546 1.00 0.00 N ATOM 1788 CA LEU A 890 -3.895 -13.742 -1.923 1.00 0.00 C ATOM 1789 C LEU A 890 -5.208 -14.509 -2.077 1.00 0.00 C ATOM 1790 O LEU A 890 -5.562 -15.279 -1.163 1.00 0.00 O ATOM 1791 CB LEU A 890 -2.723 -14.624 -2.364 1.00 0.00 C ATOM 1792 CG LEU A 890 -1.484 -13.873 -2.853 1.00 0.00 C ATOM 1793 CD1 LEU A 890 -0.268 -14.786 -2.836 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -1.713 -13.323 -4.250 1.00 0.00 C ATOM 1795 OXT LEU A 890 -5.888 -14.333 -3.106 1.00 0.00 O ATOM 0 H LEU A 890 -2.826 -13.623 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 890 -3.937 -12.855 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -2.435 -15.260 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -3.066 -15.283 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 890 -1.299 -13.037 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 890 0.605 -14.236 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -0.091 -15.137 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -0.445 -15.640 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -0.821 -12.792 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -1.922 -14.145 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -2.560 -12.637 -4.237 1.00 0.00 H new