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 Set 1.1: A 826 TYR OH : rot 28:sc= 1.17 USER MOD Set 1.2: A 880 SER OG : rot 80:sc= 1.75 USER MOD Set 2.1: A 802 ASN : amide:sc=-0.00761 X(o=1.3,f=1.2) USER MOD Set 2.2: A 811 TYR OH : rot -21:sc= 1.29 USER MOD Single : A 804 GLN : amide:sc= -0.732 X(o=-0.73,f=-0.6) USER MOD Single : A 806 HIS : no HD1:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 808 SER OG : rot -82:sc= 1.11 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 817 THR OG1 : rot -160:sc= -0.463 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 827 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 831 THR OG1 : rot 87:sc= 0.38 USER MOD Single : A 832 SER OG : rot 180:sc= -0.332 USER MOD Single : A 839 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.4) USER MOD Single : A 840 THR OG1 : rot -150:sc= -0.16 USER MOD Single : A 842 HIS : no HD1:sc= 0.644 K(o=0.64,f=-3.3!) USER MOD Single : A 845 LYS NZ :NH3+ 180:sc= -0.291! (180deg=-0.292!) USER MOD Single : A 850 MET CE :methyl -148:sc= -1.45 (180deg=-2.06!) USER MOD Single : A 852 ASN : amide:sc= 0.0789 X(o=0.079,f=0) USER MOD Single : A 857 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.018) USER MOD Single : A 860 CYS SG : rot 52:sc= 0.181 USER MOD Single : A 862 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 865 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ -157:sc= 1.26 (180deg=1.18) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot -86:sc= -0.174 USER MOD Single : A 885 TYR OH : rot 150:sc= -0.501 USER MOD Single : A 887 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0.756) USER MOD Single : A 888 SER OG : rot -93:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -8.589 -7.989 1.832 1.00 0.00 N ATOM 407 CA ASN A 802 -8.431 -8.486 0.471 1.00 0.00 C ATOM 408 C ASN A 802 -9.483 -7.888 -0.463 1.00 0.00 C ATOM 409 O ASN A 802 -9.162 -7.459 -1.573 1.00 0.00 O ATOM 410 CB ASN A 802 -8.498 -10.019 0.474 1.00 0.00 C ATOM 411 CG ASN A 802 -9.053 -10.608 -0.809 1.00 0.00 C ATOM 412 OD1 ASN A 802 -10.260 -10.816 -0.940 1.00 0.00 O ATOM 413 ND2 ASN A 802 -8.178 -10.889 -1.759 1.00 0.00 N ATOM 0 HA ASN A 802 -7.456 -8.176 0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -7.498 -10.417 0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -9.116 -10.345 1.310 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -8.494 -11.293 -2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -7.186 -10.701 -1.611 1.00 0.00 H new ATOM 420 N ALA A 803 -10.731 -7.845 -0.006 1.00 0.00 N ATOM 421 CA ALA A 803 -11.810 -7.280 -0.804 1.00 0.00 C ATOM 422 C ALA A 803 -11.587 -5.796 -1.050 1.00 0.00 C ATOM 423 O ALA A 803 -11.737 -5.319 -2.172 1.00 0.00 O ATOM 424 CB ALA A 803 -13.149 -7.500 -0.129 1.00 0.00 C ATOM 0 H ALA A 803 -11.018 -8.193 0.909 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.815 -7.792 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.941 -7.070 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -13.324 -8.569 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -13.147 -7.019 0.849 1.00 0.00 H new ATOM 430 N GLN A 804 -11.208 -5.074 -0.002 1.00 0.00 N ATOM 431 CA GLN A 804 -10.971 -3.640 -0.108 1.00 0.00 C ATOM 432 C GLN A 804 -9.826 -3.351 -1.072 1.00 0.00 C ATOM 433 O GLN A 804 -9.908 -2.432 -1.890 1.00 0.00 O ATOM 434 CB GLN A 804 -10.665 -3.039 1.265 1.00 0.00 C ATOM 435 CG GLN A 804 -11.291 -1.671 1.477 1.00 0.00 C ATOM 436 CD GLN A 804 -12.735 -1.618 1.012 1.00 0.00 C ATOM 437 OE1 GLN A 804 -13.632 -2.112 1.691 1.00 0.00 O ATOM 438 NE2 GLN A 804 -12.968 -1.022 -0.149 1.00 0.00 N ATOM 0 H GLN A 804 -11.058 -5.458 0.931 1.00 0.00 H new ATOM 0 HA GLN A 804 -11.878 -3.178 -0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.023 -3.718 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -9.585 -2.959 1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -11.243 -1.412 2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -10.711 -0.921 0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -12.195 -0.624 -0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -13.920 -0.961 -0.509 1.00 0.00 H new ATOM 447 N LEU A 805 -8.774 -4.153 -0.980 1.00 0.00 N ATOM 448 CA LEU A 805 -7.611 -4.009 -1.843 1.00 0.00 C ATOM 449 C LEU A 805 -7.979 -4.302 -3.300 1.00 0.00 C ATOM 450 O LEU A 805 -7.443 -3.694 -4.228 1.00 0.00 O ATOM 451 CB LEU A 805 -6.499 -4.945 -1.360 1.00 0.00 C ATOM 452 CG LEU A 805 -5.448 -5.308 -2.388 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.323 -4.281 -2.382 1.00 0.00 C ATOM 454 CD2 LEU A 805 -4.905 -6.703 -2.123 1.00 0.00 C ATOM 0 H LEU A 805 -8.703 -4.918 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.253 -2.981 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.002 -4.479 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -6.957 -5.865 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 805 -5.911 -5.304 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.575 -4.556 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.727 -3.297 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -3.860 -4.254 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -4.151 -6.948 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -4.456 -6.736 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -5.718 -7.426 -2.177 1.00 0.00 H new ATOM 466 N HIS A 806 -8.906 -5.230 -3.495 1.00 0.00 N ATOM 467 CA HIS A 806 -9.380 -5.556 -4.833 1.00 0.00 C ATOM 468 C HIS A 806 -10.339 -4.485 -5.337 1.00 0.00 C ATOM 469 O HIS A 806 -10.347 -4.154 -6.522 1.00 0.00 O ATOM 470 CB HIS A 806 -10.072 -6.920 -4.842 1.00 0.00 C ATOM 471 CG HIS A 806 -10.190 -7.514 -6.211 1.00 0.00 C ATOM 472 ND1 HIS A 806 -11.323 -8.150 -6.658 1.00 0.00 N ATOM 473 CD2 HIS A 806 -9.307 -7.560 -7.234 1.00 0.00 C ATOM 474 CE1 HIS A 806 -11.137 -8.563 -7.895 1.00 0.00 C ATOM 475 NE2 HIS A 806 -9.918 -8.218 -8.272 1.00 0.00 N ATOM 0 H HIS A 806 -9.343 -5.768 -2.747 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.517 -5.596 -5.497 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -9.517 -7.606 -4.202 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -11.068 -6.818 -4.411 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -8.306 -7.154 -7.234 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -11.858 -9.094 -8.499 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -9.501 -8.409 -9.183 1.00 0.00 H new ATOM 484 N ALA A 807 -11.141 -3.945 -4.427 1.00 0.00 N ATOM 485 CA ALA A 807 -12.123 -2.923 -4.770 1.00 0.00 C ATOM 486 C ALA A 807 -11.452 -1.647 -5.260 1.00 0.00 C ATOM 487 O ALA A 807 -11.965 -0.968 -6.149 1.00 0.00 O ATOM 488 CB ALA A 807 -13.012 -2.624 -3.575 1.00 0.00 C ATOM 0 H ALA A 807 -11.130 -4.200 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.737 -3.311 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -13.740 -1.859 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.534 -3.532 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.400 -2.266 -2.747 1.00 0.00 H new ATOM 494 N SER A 808 -10.301 -1.326 -4.684 1.00 0.00 N ATOM 495 CA SER A 808 -9.561 -0.138 -5.081 1.00 0.00 C ATOM 496 C SER A 808 -8.820 -0.375 -6.394 1.00 0.00 C ATOM 497 O SER A 808 -8.341 0.563 -7.031 1.00 0.00 O ATOM 498 CB SER A 808 -8.569 0.243 -3.981 1.00 0.00 C ATOM 499 OG SER A 808 -8.162 -0.903 -3.249 1.00 0.00 O ATOM 0 H SER A 808 -9.861 -1.871 -3.942 1.00 0.00 H new ATOM 0 HA SER A 808 -10.268 0.678 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 808 -7.697 0.726 -4.423 1.00 0.00 H new ATOM 0 HB3 SER A 808 -9.027 0.967 -3.307 1.00 0.00 H new ATOM 0 HG SER A 808 -8.841 -1.119 -2.576 1.00 0.00 H new ATOM 505 N GLY A 809 -8.737 -1.639 -6.798 1.00 0.00 N ATOM 506 CA GLY A 809 -8.000 -1.989 -7.993 1.00 0.00 C ATOM 507 C GLY A 809 -6.504 -1.950 -7.762 1.00 0.00 C ATOM 508 O GLY A 809 -5.717 -1.931 -8.705 1.00 0.00 O ATOM 0 H GLY A 809 -9.169 -2.427 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.291 -2.987 -8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.262 -1.301 -8.796 1.00 0.00 H new ATOM 512 N TYR A 810 -6.112 -1.958 -6.494 1.00 0.00 N ATOM 513 CA TYR A 810 -4.709 -1.860 -6.126 1.00 0.00 C ATOM 514 C TYR A 810 -4.094 -3.242 -5.964 1.00 0.00 C ATOM 515 O TYR A 810 -2.966 -3.383 -5.492 1.00 0.00 O ATOM 516 CB TYR A 810 -4.560 -1.052 -4.836 1.00 0.00 C ATOM 517 CG TYR A 810 -4.380 0.433 -5.070 1.00 0.00 C ATOM 518 CD1 TYR A 810 -3.756 0.903 -6.219 1.00 0.00 C ATOM 519 CD2 TYR A 810 -4.837 1.364 -4.146 1.00 0.00 C ATOM 520 CE1 TYR A 810 -3.590 2.256 -6.440 1.00 0.00 C ATOM 521 CE2 TYR A 810 -4.675 2.722 -4.360 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.053 3.161 -5.511 1.00 0.00 C ATOM 523 OH TYR A 810 -3.890 4.511 -5.733 1.00 0.00 O ATOM 0 H TYR A 810 -6.750 -2.032 -5.702 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.177 -1.346 -6.926 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.441 -1.209 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -3.704 -1.430 -4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -3.394 0.198 -6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -5.327 1.023 -3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -3.099 2.603 -7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -5.033 3.434 -3.631 1.00 0.00 H new ATOM 0 HH TYR A 810 -4.272 5.014 -4.984 1.00 0.00 H new ATOM 533 N TYR A 811 -4.844 -4.258 -6.375 1.00 0.00 N ATOM 534 CA TYR A 811 -4.368 -5.635 -6.337 1.00 0.00 C ATOM 535 C TYR A 811 -3.113 -5.786 -7.189 1.00 0.00 C ATOM 536 O TYR A 811 -2.215 -6.561 -6.860 1.00 0.00 O ATOM 537 CB TYR A 811 -5.454 -6.580 -6.849 1.00 0.00 C ATOM 538 CG TYR A 811 -5.617 -7.836 -6.027 1.00 0.00 C ATOM 539 CD1 TYR A 811 -4.824 -8.951 -6.260 1.00 0.00 C ATOM 540 CD2 TYR A 811 -6.574 -7.909 -5.026 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.979 -10.103 -5.515 1.00 0.00 C ATOM 542 CE2 TYR A 811 -6.734 -9.055 -4.276 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.937 -10.149 -4.525 1.00 0.00 C ATOM 544 OH TYR A 811 -6.102 -11.294 -3.780 1.00 0.00 O ATOM 0 H TYR A 811 -5.790 -4.152 -6.741 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.128 -5.890 -5.305 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.404 -6.047 -6.870 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.223 -6.859 -7.877 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -4.074 -8.917 -7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -7.204 -7.054 -4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -4.354 -10.962 -5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -7.481 -9.094 -3.497 1.00 0.00 H new ATOM 0 HH TYR A 811 -5.737 -12.059 -4.271 1.00 0.00 H new ATOM 554 N ALA A 812 -3.057 -5.023 -8.277 1.00 0.00 N ATOM 555 CA ALA A 812 -1.914 -5.051 -9.179 1.00 0.00 C ATOM 556 C ALA A 812 -0.645 -4.602 -8.461 1.00 0.00 C ATOM 557 O ALA A 812 0.403 -5.222 -8.600 1.00 0.00 O ATOM 558 CB ALA A 812 -2.183 -4.173 -10.392 1.00 0.00 C ATOM 0 H ALA A 812 -3.795 -4.375 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 812 -1.764 -6.077 -9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.322 -4.201 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.063 -4.541 -10.919 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.357 -3.147 -10.067 1.00 0.00 H new ATOM 564 N LEU A 813 -0.757 -3.537 -7.672 1.00 0.00 N ATOM 565 CA LEU A 813 0.381 -3.019 -6.919 1.00 0.00 C ATOM 566 C LEU A 813 0.777 -3.997 -5.819 1.00 0.00 C ATOM 567 O LEU A 813 1.960 -4.174 -5.519 1.00 0.00 O ATOM 568 CB LEU A 813 0.041 -1.659 -6.309 1.00 0.00 C ATOM 569 CG LEU A 813 0.914 -0.499 -6.786 1.00 0.00 C ATOM 570 CD1 LEU A 813 0.108 0.790 -6.834 1.00 0.00 C ATOM 571 CD2 LEU A 813 2.126 -0.335 -5.882 1.00 0.00 C ATOM 0 H LEU A 813 -1.624 -3.016 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 813 1.221 -2.898 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.000 -1.427 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 813 0.123 -1.734 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 813 1.264 -0.725 -7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 813 0.746 1.605 -7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -0.729 0.671 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -0.271 1.019 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 813 2.735 0.496 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 813 1.795 -0.132 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 813 2.717 -1.251 -5.896 1.00 0.00 H new ATOM 583 N PHE A 814 -0.228 -4.636 -5.236 1.00 0.00 N ATOM 584 CA PHE A 814 -0.021 -5.613 -4.174 1.00 0.00 C ATOM 585 C PHE A 814 0.843 -6.774 -4.660 1.00 0.00 C ATOM 586 O PHE A 814 1.797 -7.170 -3.994 1.00 0.00 O ATOM 587 CB PHE A 814 -1.372 -6.134 -3.681 1.00 0.00 C ATOM 588 CG PHE A 814 -1.289 -7.013 -2.466 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.809 -6.517 -1.263 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.708 -8.334 -2.523 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.744 -7.324 -0.144 1.00 0.00 C ATOM 592 CE2 PHE A 814 -1.646 -9.143 -1.406 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.165 -8.637 -0.214 1.00 0.00 C ATOM 0 H PHE A 814 -1.207 -4.493 -5.484 1.00 0.00 H new ATOM 0 HA PHE A 814 0.500 -5.124 -3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.016 -5.284 -3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.849 -6.692 -4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.483 -5.489 -1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.087 -8.734 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 814 -0.364 -6.928 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -1.973 -10.171 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.118 -9.267 0.662 1.00 0.00 H new ATOM 603 N VAL A 815 0.519 -7.305 -5.833 1.00 0.00 N ATOM 604 CA VAL A 815 1.243 -8.454 -6.367 1.00 0.00 C ATOM 605 C VAL A 815 2.469 -8.023 -7.169 1.00 0.00 C ATOM 606 O VAL A 815 3.210 -8.861 -7.688 1.00 0.00 O ATOM 607 CB VAL A 815 0.336 -9.341 -7.250 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.874 -9.816 -6.458 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.102 -8.601 -8.506 1.00 0.00 C ATOM 0 H VAL A 815 -0.234 -6.962 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 815 1.573 -9.037 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 815 0.913 -10.212 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.503 -10.439 -7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.541 -10.395 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.446 -8.954 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -0.739 -9.250 -9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.658 -7.706 -8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.776 -8.316 -9.086 1.00 0.00 H new ATOM 619 N ASP A 816 2.680 -6.718 -7.259 1.00 0.00 N ATOM 620 CA ASP A 816 3.823 -6.176 -7.983 1.00 0.00 C ATOM 621 C ASP A 816 4.972 -5.891 -7.032 1.00 0.00 C ATOM 622 O ASP A 816 6.033 -6.511 -7.110 1.00 0.00 O ATOM 623 CB ASP A 816 3.436 -4.882 -8.703 1.00 0.00 C ATOM 624 CG ASP A 816 4.421 -4.495 -9.787 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.241 -4.931 -10.943 1.00 0.00 O ATOM 626 OD2 ASP A 816 5.370 -3.738 -9.495 1.00 0.00 O ATOM 0 H ASP A 816 2.074 -6.013 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 816 4.138 -6.919 -8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.446 -4.999 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 816 3.368 -4.073 -7.975 1.00 0.00 H new ATOM 631 N THR A 817 4.735 -4.962 -6.122 1.00 0.00 N ATOM 632 CA THR A 817 5.771 -4.465 -5.239 1.00 0.00 C ATOM 633 C THR A 817 6.052 -5.408 -4.074 1.00 0.00 C ATOM 634 O THR A 817 7.204 -5.754 -3.827 1.00 0.00 O ATOM 635 CB THR A 817 5.384 -3.080 -4.693 1.00 0.00 C ATOM 636 OG1 THR A 817 4.811 -2.290 -5.744 1.00 0.00 O ATOM 637 CG2 THR A 817 6.593 -2.362 -4.121 1.00 0.00 C ATOM 0 H THR A 817 3.821 -4.533 -5.976 1.00 0.00 H new ATOM 0 HA THR A 817 6.682 -4.394 -5.833 1.00 0.00 H new ATOM 0 HB THR A 817 4.655 -3.219 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 817 4.858 -1.341 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 817 6.291 -1.386 -3.742 1.00 0.00 H new ATOM 0 HG22 THR A 817 7.015 -2.952 -3.308 1.00 0.00 H new ATOM 0 HG23 THR A 817 7.342 -2.232 -4.902 1.00 0.00 H new ATOM 645 N VAL A 818 5.002 -5.846 -3.383 1.00 0.00 N ATOM 646 CA VAL A 818 5.165 -6.553 -2.111 1.00 0.00 C ATOM 647 C VAL A 818 6.052 -7.801 -2.231 1.00 0.00 C ATOM 648 O VAL A 818 7.102 -7.859 -1.593 1.00 0.00 O ATOM 649 CB VAL A 818 3.806 -6.928 -1.477 1.00 0.00 C ATOM 650 CG1 VAL A 818 4.012 -7.549 -0.103 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.908 -5.704 -1.380 1.00 0.00 C ATOM 0 H VAL A 818 4.033 -5.726 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 818 5.673 -5.849 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 818 3.318 -7.663 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 818 3.045 -7.807 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.619 -8.450 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.520 -6.836 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.955 -5.986 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.390 -4.947 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.734 -5.301 -2.377 1.00 0.00 H new ATOM 661 N PRO A 819 5.676 -8.812 -3.047 1.00 0.00 N ATOM 662 CA PRO A 819 6.467 -10.046 -3.166 1.00 0.00 C ATOM 663 C PRO A 819 7.888 -9.774 -3.655 1.00 0.00 C ATOM 664 O PRO A 819 8.856 -10.355 -3.154 1.00 0.00 O ATOM 665 CB PRO A 819 5.694 -10.882 -4.196 1.00 0.00 C ATOM 666 CG PRO A 819 4.318 -10.309 -4.210 1.00 0.00 C ATOM 667 CD PRO A 819 4.477 -8.847 -3.905 1.00 0.00 C ATOM 0 HA PRO A 819 6.584 -10.546 -2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.157 -10.820 -5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.679 -11.936 -3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 819 3.844 -10.456 -5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.685 -10.796 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.613 -8.259 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.603 -8.445 -3.393 1.00 0.00 H new ATOM 675 N ASP A 820 8.003 -8.865 -4.616 1.00 0.00 N ATOM 676 CA ASP A 820 9.288 -8.534 -5.221 1.00 0.00 C ATOM 677 C ASP A 820 10.214 -7.872 -4.208 1.00 0.00 C ATOM 678 O ASP A 820 11.356 -8.299 -4.014 1.00 0.00 O ATOM 679 CB ASP A 820 9.079 -7.601 -6.415 1.00 0.00 C ATOM 680 CG ASP A 820 10.034 -7.889 -7.555 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.259 -7.923 -7.322 1.00 0.00 O ATOM 682 OD2 ASP A 820 9.560 -8.078 -8.694 1.00 0.00 O ATOM 0 H ASP A 820 7.215 -8.340 -4.996 1.00 0.00 H new ATOM 0 HA ASP A 820 9.753 -9.460 -5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.054 -7.698 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.207 -6.568 -6.091 1.00 0.00 H new ATOM 687 N ASP A 821 9.706 -6.843 -3.548 1.00 0.00 N ATOM 688 CA ASP A 821 10.493 -6.078 -2.591 1.00 0.00 C ATOM 689 C ASP A 821 10.805 -6.915 -1.359 1.00 0.00 C ATOM 690 O ASP A 821 11.866 -6.769 -0.761 1.00 0.00 O ATOM 691 CB ASP A 821 9.764 -4.788 -2.194 1.00 0.00 C ATOM 692 CG ASP A 821 10.108 -3.628 -3.112 1.00 0.00 C ATOM 693 OD1 ASP A 821 9.849 -3.731 -4.331 1.00 0.00 O ATOM 694 OD2 ASP A 821 10.656 -2.614 -2.628 1.00 0.00 O ATOM 0 H ASP A 821 8.746 -6.516 -3.658 1.00 0.00 H new ATOM 0 HA ASP A 821 11.434 -5.806 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.688 -4.960 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 821 10.024 -4.527 -1.168 1.00 0.00 H new ATOM 699 N VAL A 822 9.885 -7.803 -0.994 1.00 0.00 N ATOM 700 CA VAL A 822 10.101 -8.714 0.126 1.00 0.00 C ATOM 701 C VAL A 822 11.280 -9.648 -0.165 1.00 0.00 C ATOM 702 O VAL A 822 12.102 -9.920 0.712 1.00 0.00 O ATOM 703 CB VAL A 822 8.824 -9.537 0.435 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.151 -10.905 1.024 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.914 -8.760 1.375 1.00 0.00 C ATOM 0 H VAL A 822 8.983 -7.911 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 822 10.336 -8.115 1.006 1.00 0.00 H new ATOM 0 HB VAL A 822 8.307 -9.706 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.226 -11.445 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.756 -11.471 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.705 -10.778 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 822 7.020 -9.348 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 822 8.442 -8.557 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.627 -7.818 0.908 1.00 0.00 H new ATOM 715 N LYS A 823 11.367 -10.121 -1.404 1.00 0.00 N ATOM 716 CA LYS A 823 12.483 -10.964 -1.818 1.00 0.00 C ATOM 717 C LYS A 823 13.791 -10.176 -1.772 1.00 0.00 C ATOM 718 O LYS A 823 14.813 -10.682 -1.319 1.00 0.00 O ATOM 719 CB LYS A 823 12.244 -11.519 -3.222 1.00 0.00 C ATOM 720 CG LYS A 823 11.209 -12.632 -3.260 1.00 0.00 C ATOM 721 CD LYS A 823 11.152 -13.292 -4.626 1.00 0.00 C ATOM 722 CE LYS A 823 9.904 -12.885 -5.394 1.00 0.00 C ATOM 723 NZ LYS A 823 9.703 -13.716 -6.610 1.00 0.00 N ATOM 0 H LYS A 823 10.681 -9.936 -2.136 1.00 0.00 H new ATOM 0 HA LYS A 823 12.558 -11.802 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.920 -10.709 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.186 -11.894 -3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 823 11.449 -13.379 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 823 10.229 -12.227 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 823 12.038 -13.019 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 823 11.170 -14.375 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 823 9.033 -12.976 -4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 823 9.980 -11.836 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 8.842 -13.406 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 10.522 -13.610 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 9.604 -14.714 -6.336 1.00 0.00 H new ATOM 737 N ARG A 824 13.747 -8.928 -2.223 1.00 0.00 N ATOM 738 CA ARG A 824 14.913 -8.058 -2.156 1.00 0.00 C ATOM 739 C ARG A 824 15.269 -7.769 -0.701 1.00 0.00 C ATOM 740 O ARG A 824 16.443 -7.684 -0.345 1.00 0.00 O ATOM 741 CB ARG A 824 14.653 -6.749 -2.904 1.00 0.00 C ATOM 742 CG ARG A 824 15.922 -6.001 -3.286 1.00 0.00 C ATOM 743 CD ARG A 824 16.859 -6.872 -4.109 1.00 0.00 C ATOM 744 NE ARG A 824 18.234 -6.821 -3.612 1.00 0.00 N ATOM 745 CZ ARG A 824 19.315 -6.868 -4.392 1.00 0.00 C ATOM 746 NH1 ARG A 824 19.192 -7.009 -5.708 1.00 0.00 N ATOM 747 NH2 ARG A 824 20.518 -6.784 -3.849 1.00 0.00 N ATOM 0 H ARG A 824 12.920 -8.498 -2.637 1.00 0.00 H new ATOM 0 HA ARG A 824 15.751 -8.567 -2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 824 14.083 -6.964 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 824 14.034 -6.102 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 824 15.662 -5.108 -3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 824 16.434 -5.667 -2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 824 16.505 -7.903 -4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 824 16.837 -6.546 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 824 18.375 -6.745 -2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 824 18.266 -7.082 -6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 824 20.024 -7.044 -6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 824 20.616 -6.684 -2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 824 21.348 -6.819 -4.441 1.00 0.00 H new ATOM 761 N LEU A 825 14.242 -7.615 0.133 1.00 0.00 N ATOM 762 CA LEU A 825 14.429 -7.453 1.569 1.00 0.00 C ATOM 763 C LEU A 825 15.201 -8.637 2.127 1.00 0.00 C ATOM 764 O LEU A 825 16.125 -8.472 2.914 1.00 0.00 O ATOM 765 CB LEU A 825 13.077 -7.335 2.278 1.00 0.00 C ATOM 766 CG LEU A 825 12.677 -5.919 2.688 1.00 0.00 C ATOM 767 CD1 LEU A 825 11.180 -5.720 2.524 1.00 0.00 C ATOM 768 CD2 LEU A 825 13.099 -5.639 4.122 1.00 0.00 C ATOM 0 H LEU A 825 13.267 -7.599 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 825 14.995 -6.538 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.305 -7.738 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.097 -7.962 3.169 1.00 0.00 H new ATOM 0 HG LEU A 825 13.191 -5.214 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.913 -4.706 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.904 -5.878 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.647 -6.434 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.806 -4.626 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.613 -6.351 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.181 -5.740 4.209 1.00 0.00 H new ATOM 780 N TYR A 826 14.816 -9.834 1.695 1.00 0.00 N ATOM 781 CA TYR A 826 15.515 -11.054 2.072 1.00 0.00 C ATOM 782 C TYR A 826 16.987 -10.967 1.683 1.00 0.00 C ATOM 783 O TYR A 826 17.876 -11.299 2.478 1.00 0.00 O ATOM 784 CB TYR A 826 14.878 -12.261 1.379 1.00 0.00 C ATOM 785 CG TYR A 826 13.831 -12.973 2.204 1.00 0.00 C ATOM 786 CD1 TYR A 826 14.111 -13.413 3.491 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.563 -13.207 1.691 1.00 0.00 C ATOM 788 CE1 TYR A 826 13.156 -14.069 4.243 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.602 -13.863 2.437 1.00 0.00 C ATOM 790 CZ TYR A 826 11.903 -14.290 3.712 1.00 0.00 C ATOM 791 OH TYR A 826 10.951 -14.939 4.460 1.00 0.00 O ATOM 0 H TYR A 826 14.017 -9.983 1.079 1.00 0.00 H new ATOM 0 HA TYR A 826 15.438 -11.173 3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.424 -11.931 0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.663 -12.971 1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 826 15.091 -13.240 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.323 -12.871 0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 826 13.390 -14.407 5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.620 -14.040 2.023 1.00 0.00 H new ATOM 0 HH TYR A 826 11.121 -14.783 5.412 1.00 0.00 H new ATOM 801 N THR A 827 17.234 -10.492 0.467 1.00 0.00 N ATOM 802 CA THR A 827 18.579 -10.403 -0.073 1.00 0.00 C ATOM 803 C THR A 827 19.452 -9.468 0.766 1.00 0.00 C ATOM 804 O THR A 827 20.584 -9.803 1.120 1.00 0.00 O ATOM 805 CB THR A 827 18.535 -9.898 -1.530 1.00 0.00 C ATOM 806 OG1 THR A 827 17.462 -10.536 -2.236 1.00 0.00 O ATOM 807 CG2 THR A 827 19.848 -10.165 -2.248 1.00 0.00 C ATOM 0 H THR A 827 16.508 -10.160 -0.168 1.00 0.00 H new ATOM 0 HA THR A 827 19.016 -11.401 -0.046 1.00 0.00 H new ATOM 0 HB THR A 827 18.371 -8.821 -1.507 1.00 0.00 H new ATOM 0 HG1 THR A 827 17.439 -10.210 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.784 -9.797 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.658 -9.653 -1.728 1.00 0.00 H new ATOM 0 HG23 THR A 827 20.045 -11.237 -2.259 1.00 0.00 H new ATOM 815 N GLU A 828 18.907 -8.312 1.111 1.00 0.00 N ATOM 816 CA GLU A 828 19.653 -7.312 1.862 1.00 0.00 C ATOM 817 C GLU A 828 19.697 -7.651 3.350 1.00 0.00 C ATOM 818 O GLU A 828 20.619 -7.244 4.059 1.00 0.00 O ATOM 819 CB GLU A 828 19.044 -5.930 1.640 1.00 0.00 C ATOM 820 CG GLU A 828 18.729 -5.644 0.180 1.00 0.00 C ATOM 821 CD GLU A 828 19.972 -5.554 -0.682 1.00 0.00 C ATOM 822 OE1 GLU A 828 20.402 -6.595 -1.217 1.00 0.00 O ATOM 823 OE2 GLU A 828 20.518 -4.446 -0.841 1.00 0.00 O ATOM 0 H GLU A 828 17.950 -8.042 0.883 1.00 0.00 H new ATOM 0 HA GLU A 828 20.680 -7.308 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 828 18.129 -5.844 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.733 -5.172 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 828 18.080 -6.429 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 828 18.175 -4.708 0.109 1.00 0.00 H new ATOM 830 N ALA A 829 18.703 -8.397 3.819 1.00 0.00 N ATOM 831 CA ALA A 829 18.660 -8.827 5.214 1.00 0.00 C ATOM 832 C ALA A 829 19.809 -9.772 5.517 1.00 0.00 C ATOM 833 O ALA A 829 20.477 -9.643 6.541 1.00 0.00 O ATOM 834 CB ALA A 829 17.331 -9.492 5.536 1.00 0.00 C ATOM 0 H ALA A 829 17.916 -8.717 3.255 1.00 0.00 H new ATOM 0 HA ALA A 829 18.761 -7.942 5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.324 -9.803 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.519 -8.786 5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.196 -10.364 4.896 1.00 0.00 H new ATOM 840 N ALA A 830 20.046 -10.713 4.611 1.00 0.00 N ATOM 841 CA ALA A 830 21.147 -11.655 4.762 1.00 0.00 C ATOM 842 C ALA A 830 22.489 -10.940 4.634 1.00 0.00 C ATOM 843 O ALA A 830 23.510 -11.398 5.152 1.00 0.00 O ATOM 844 CB ALA A 830 21.033 -12.759 3.726 1.00 0.00 C ATOM 0 H ALA A 830 19.491 -10.844 3.765 1.00 0.00 H new ATOM 0 HA ALA A 830 21.091 -12.098 5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 830 21.860 -13.458 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.089 -13.287 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.068 -12.325 2.727 1.00 0.00 H new ATOM 850 N THR A 831 22.467 -9.810 3.943 1.00 0.00 N ATOM 851 CA THR A 831 23.647 -8.981 3.758 1.00 0.00 C ATOM 852 C THR A 831 23.863 -8.061 4.966 1.00 0.00 C ATOM 853 O THR A 831 24.950 -7.510 5.159 1.00 0.00 O ATOM 854 CB THR A 831 23.499 -8.150 2.460 1.00 0.00 C ATOM 855 OG1 THR A 831 23.509 -9.032 1.330 1.00 0.00 O ATOM 856 CG2 THR A 831 24.606 -7.118 2.304 1.00 0.00 C ATOM 0 H THR A 831 21.628 -9.442 3.494 1.00 0.00 H new ATOM 0 HA THR A 831 24.521 -9.627 3.671 1.00 0.00 H new ATOM 0 HB THR A 831 22.554 -7.611 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.600 -9.356 1.160 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.457 -6.562 1.379 1.00 0.00 H new ATOM 0 HG22 THR A 831 24.583 -6.430 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.572 -7.622 2.273 1.00 0.00 H new ATOM 864 N SER A 832 22.828 -7.945 5.803 1.00 0.00 N ATOM 865 CA SER A 832 22.835 -7.056 6.964 1.00 0.00 C ATOM 866 C SER A 832 22.893 -5.603 6.511 1.00 0.00 C ATOM 867 O SER A 832 23.458 -4.739 7.186 1.00 0.00 O ATOM 868 CB SER A 832 23.990 -7.376 7.929 1.00 0.00 C ATOM 869 OG SER A 832 24.526 -8.668 7.688 1.00 0.00 O ATOM 0 H SER A 832 21.959 -8.468 5.692 1.00 0.00 H new ATOM 0 HA SER A 832 21.908 -7.219 7.513 1.00 0.00 H new ATOM 0 HB2 SER A 832 24.776 -6.629 7.818 1.00 0.00 H new ATOM 0 HB3 SER A 832 23.634 -7.315 8.957 1.00 0.00 H new ATOM 0 HG SER A 832 25.259 -8.841 8.316 1.00 0.00 H new ATOM 875 N ASP A 833 22.290 -5.341 5.360 1.00 0.00 N ATOM 876 CA ASP A 833 22.230 -3.994 4.818 1.00 0.00 C ATOM 877 C ASP A 833 21.001 -3.285 5.360 1.00 0.00 C ATOM 878 O ASP A 833 19.999 -3.113 4.664 1.00 0.00 O ATOM 879 CB ASP A 833 22.198 -4.021 3.290 1.00 0.00 C ATOM 880 CG ASP A 833 23.024 -2.907 2.681 1.00 0.00 C ATOM 881 OD1 ASP A 833 23.079 -1.804 3.271 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.627 -3.129 1.608 1.00 0.00 O ATOM 0 H ASP A 833 21.834 -6.048 4.783 1.00 0.00 H new ATOM 0 HA ASP A 833 23.125 -3.452 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.571 -4.982 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.167 -3.935 2.948 1.00 0.00 H new ATOM 887 N PHE A 834 21.085 -2.902 6.623 1.00 0.00 N ATOM 888 CA PHE A 834 19.964 -2.286 7.326 1.00 0.00 C ATOM 889 C PHE A 834 19.542 -0.960 6.702 1.00 0.00 C ATOM 890 O PHE A 834 18.383 -0.567 6.818 1.00 0.00 O ATOM 891 CB PHE A 834 20.312 -2.090 8.803 1.00 0.00 C ATOM 892 CG PHE A 834 20.700 -3.365 9.494 1.00 0.00 C ATOM 893 CD1 PHE A 834 19.741 -4.308 9.823 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.024 -3.628 9.800 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.095 -5.487 10.450 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.385 -4.803 10.428 1.00 0.00 C ATOM 897 CZ PHE A 834 21.420 -5.736 10.750 1.00 0.00 C ATOM 0 H PHE A 834 21.926 -3.007 7.191 1.00 0.00 H new ATOM 0 HA PHE A 834 19.116 -2.965 7.238 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.132 -1.376 8.885 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.456 -1.652 9.316 1.00 0.00 H new ATOM 0 HD1 PHE A 834 18.704 -4.120 9.587 1.00 0.00 H new ATOM 0 HD2 PHE A 834 22.784 -2.905 9.544 1.00 0.00 H new ATOM 0 HE1 PHE A 834 19.337 -6.213 10.705 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.421 -4.992 10.667 1.00 0.00 H new ATOM 0 HZ PHE A 834 21.701 -6.659 11.236 1.00 0.00 H new ATOM 907 N ALA A 835 20.466 -0.275 6.042 1.00 0.00 N ATOM 908 CA ALA A 835 20.120 0.948 5.328 1.00 0.00 C ATOM 909 C ALA A 835 19.141 0.630 4.205 1.00 0.00 C ATOM 910 O ALA A 835 18.152 1.338 3.997 1.00 0.00 O ATOM 911 CB ALA A 835 21.365 1.623 4.771 1.00 0.00 C ATOM 0 H ALA A 835 21.449 -0.540 5.986 1.00 0.00 H new ATOM 0 HA ALA A 835 19.649 1.638 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.080 2.533 4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.040 1.875 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.868 0.946 4.081 1.00 0.00 H new ATOM 917 N ALA A 836 19.403 -0.472 3.515 1.00 0.00 N ATOM 918 CA ALA A 836 18.561 -0.902 2.411 1.00 0.00 C ATOM 919 C ALA A 836 17.273 -1.495 2.953 1.00 0.00 C ATOM 920 O ALA A 836 16.202 -1.315 2.373 1.00 0.00 O ATOM 921 CB ALA A 836 19.293 -1.910 1.536 1.00 0.00 C ATOM 0 H ALA A 836 20.196 -1.086 3.703 1.00 0.00 H new ATOM 0 HA ALA A 836 18.319 -0.038 1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.645 -2.218 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.196 -1.453 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.563 -2.781 2.133 1.00 0.00 H new ATOM 927 N LEU A 837 17.392 -2.186 4.081 1.00 0.00 N ATOM 928 CA LEU A 837 16.246 -2.757 4.770 1.00 0.00 C ATOM 929 C LEU A 837 15.273 -1.660 5.181 1.00 0.00 C ATOM 930 O LEU A 837 14.064 -1.791 5.005 1.00 0.00 O ATOM 931 CB LEU A 837 16.709 -3.533 6.003 1.00 0.00 C ATOM 932 CG LEU A 837 16.498 -5.045 5.946 1.00 0.00 C ATOM 933 CD1 LEU A 837 16.884 -5.591 4.582 1.00 0.00 C ATOM 934 CD2 LEU A 837 17.297 -5.731 7.040 1.00 0.00 C ATOM 0 H LEU A 837 18.285 -2.365 4.541 1.00 0.00 H new ATOM 0 HA LEU A 837 15.736 -3.440 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.770 -3.337 6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.184 -3.143 6.875 1.00 0.00 H new ATOM 0 HG LEU A 837 15.440 -5.251 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 837 16.726 -6.669 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 837 16.269 -5.121 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 837 17.935 -5.375 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 837 17.137 -6.808 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.357 -5.515 6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 837 16.972 -5.363 8.013 1.00 0.00 H new ATOM 946 N ALA A 838 15.809 -0.574 5.721 1.00 0.00 N ATOM 947 CA ALA A 838 14.993 0.570 6.097 1.00 0.00 C ATOM 948 C ALA A 838 14.327 1.178 4.868 1.00 0.00 C ATOM 949 O ALA A 838 13.163 1.578 4.915 1.00 0.00 O ATOM 950 CB ALA A 838 15.835 1.611 6.817 1.00 0.00 C ATOM 0 H ALA A 838 16.805 -0.462 5.908 1.00 0.00 H new ATOM 0 HA ALA A 838 14.213 0.228 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.208 2.460 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.265 1.172 7.717 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.636 1.949 6.160 1.00 0.00 H new ATOM 956 N GLN A 839 15.071 1.233 3.766 1.00 0.00 N ATOM 957 CA GLN A 839 14.540 1.741 2.504 1.00 0.00 C ATOM 958 C GLN A 839 13.324 0.933 2.052 1.00 0.00 C ATOM 959 O GLN A 839 12.286 1.501 1.696 1.00 0.00 O ATOM 960 CB GLN A 839 15.620 1.707 1.421 1.00 0.00 C ATOM 961 CG GLN A 839 16.668 2.796 1.571 1.00 0.00 C ATOM 962 CD GLN A 839 16.051 4.170 1.726 1.00 0.00 C ATOM 963 OE1 GLN A 839 15.503 4.724 0.772 1.00 0.00 O ATOM 964 NE2 GLN A 839 16.131 4.725 2.925 1.00 0.00 N ATOM 0 H GLN A 839 16.044 0.932 3.722 1.00 0.00 H new ATOM 0 HA GLN A 839 14.226 2.772 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.113 0.735 1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.146 1.803 0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 839 17.291 2.580 2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.322 2.790 0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 839 16.594 4.229 3.687 1.00 0.00 H new ATOM 0 HE22 GLN A 839 15.729 5.648 3.087 1.00 0.00 H new ATOM 973 N THR A 840 13.446 -0.390 2.085 1.00 0.00 N ATOM 974 CA THR A 840 12.365 -1.263 1.645 1.00 0.00 C ATOM 975 C THR A 840 11.218 -1.258 2.652 1.00 0.00 C ATOM 976 O THR A 840 10.047 -1.257 2.272 1.00 0.00 O ATOM 977 CB THR A 840 12.854 -2.707 1.429 1.00 0.00 C ATOM 978 OG1 THR A 840 14.112 -2.902 2.083 1.00 0.00 O ATOM 979 CG2 THR A 840 13.000 -3.021 -0.051 1.00 0.00 C ATOM 0 H THR A 840 14.280 -0.879 2.411 1.00 0.00 H new ATOM 0 HA THR A 840 12.008 -0.874 0.692 1.00 0.00 H new ATOM 0 HB THR A 840 12.110 -3.380 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 840 14.633 -3.574 1.596 1.00 0.00 H new ATOM 0 HG21 THR A 840 13.347 -4.047 -0.173 1.00 0.00 H new ATOM 0 HG22 THR A 840 12.036 -2.903 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 840 13.723 -2.338 -0.498 1.00 0.00 H new ATOM 987 N ALA A 841 11.561 -1.235 3.938 1.00 0.00 N ATOM 988 CA ALA A 841 10.562 -1.178 4.997 1.00 0.00 C ATOM 989 C ALA A 841 9.741 0.101 4.897 1.00 0.00 C ATOM 990 O ALA A 841 8.547 0.104 5.184 1.00 0.00 O ATOM 991 CB ALA A 841 11.220 -1.277 6.365 1.00 0.00 C ATOM 0 H ALA A 841 12.525 -1.255 4.270 1.00 0.00 H new ATOM 0 HA ALA A 841 9.892 -2.029 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.455 -1.232 7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.760 -2.221 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.917 -0.449 6.494 1.00 0.00 H new ATOM 997 N HIS A 842 10.386 1.188 4.488 1.00 0.00 N ATOM 998 CA HIS A 842 9.695 2.457 4.282 1.00 0.00 C ATOM 999 C HIS A 842 8.774 2.359 3.076 1.00 0.00 C ATOM 1000 O HIS A 842 7.640 2.836 3.108 1.00 0.00 O ATOM 1001 CB HIS A 842 10.698 3.599 4.083 1.00 0.00 C ATOM 1002 CG HIS A 842 11.150 4.235 5.362 1.00 0.00 C ATOM 1003 ND1 HIS A 842 11.182 5.598 5.562 1.00 0.00 N ATOM 1004 CD2 HIS A 842 11.584 3.680 6.514 1.00 0.00 C ATOM 1005 CE1 HIS A 842 11.617 5.852 6.783 1.00 0.00 C ATOM 1006 NE2 HIS A 842 11.867 4.702 7.381 1.00 0.00 N ATOM 0 H HIS A 842 11.387 1.217 4.292 1.00 0.00 H new ATOM 0 HA HIS A 842 9.102 2.672 5.171 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.569 3.217 3.550 1.00 0.00 H new ATOM 0 HB3 HIS A 842 10.246 4.361 3.449 1.00 0.00 H new ATOM 0 HD2 HIS A 842 11.689 2.624 6.715 1.00 0.00 H new ATOM 0 HE1 HIS A 842 11.746 6.832 7.218 1.00 0.00 H new ATOM 0 HE2 HIS A 842 12.214 4.592 8.334 1.00 0.00 H new ATOM 1015 N ARG A 843 9.272 1.732 2.018 1.00 0.00 N ATOM 1016 CA ARG A 843 8.482 1.513 0.814 1.00 0.00 C ATOM 1017 C ARG A 843 7.243 0.684 1.137 1.00 0.00 C ATOM 1018 O ARG A 843 6.126 1.051 0.773 1.00 0.00 O ATOM 1019 CB ARG A 843 9.325 0.818 -0.264 1.00 0.00 C ATOM 1020 CG ARG A 843 8.536 0.431 -1.506 1.00 0.00 C ATOM 1021 CD ARG A 843 9.026 1.182 -2.733 1.00 0.00 C ATOM 1022 NE ARG A 843 9.625 0.287 -3.723 1.00 0.00 N ATOM 1023 CZ ARG A 843 9.232 0.211 -4.996 1.00 0.00 C ATOM 1024 NH1 ARG A 843 8.204 0.932 -5.425 1.00 0.00 N ATOM 1025 NH2 ARG A 843 9.852 -0.601 -5.838 1.00 0.00 N ATOM 0 H ARG A 843 10.223 1.365 1.970 1.00 0.00 H new ATOM 0 HA ARG A 843 8.162 2.481 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.142 1.478 -0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.776 -0.078 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.625 -0.642 -1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 843 7.478 0.642 -1.347 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.192 1.718 -3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 843 9.759 1.930 -2.431 1.00 0.00 H new ATOM 0 HE ARG A 843 10.390 -0.316 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 843 7.709 1.549 -4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 843 7.908 0.870 -6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 843 10.633 -1.172 -5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 843 9.548 -0.656 -6.810 1.00 0.00 H new ATOM 1039 N LEU A 844 7.450 -0.412 1.854 1.00 0.00 N ATOM 1040 CA LEU A 844 6.363 -1.318 2.214 1.00 0.00 C ATOM 1041 C LEU A 844 5.385 -0.635 3.159 1.00 0.00 C ATOM 1042 O LEU A 844 4.171 -0.742 2.995 1.00 0.00 O ATOM 1043 CB LEU A 844 6.915 -2.585 2.868 1.00 0.00 C ATOM 1044 CG LEU A 844 7.319 -3.703 1.899 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.503 -5.014 2.649 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.282 -3.868 0.795 1.00 0.00 C ATOM 0 H LEU A 844 8.366 -0.698 2.201 1.00 0.00 H new ATOM 0 HA LEU A 844 5.836 -1.592 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 844 7.785 -2.315 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.164 -2.976 3.554 1.00 0.00 H new ATOM 0 HG LEU A 844 8.267 -3.425 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.790 -5.797 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.284 -4.897 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.568 -5.288 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.592 -4.667 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.318 -4.119 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 844 6.194 -2.936 0.237 1.00 0.00 H new ATOM 1058 N LYS A 845 5.927 0.071 4.146 1.00 0.00 N ATOM 1059 CA LYS A 845 5.117 0.829 5.090 1.00 0.00 C ATOM 1060 C LYS A 845 4.185 1.777 4.342 1.00 0.00 C ATOM 1061 O LYS A 845 2.983 1.829 4.610 1.00 0.00 O ATOM 1062 CB LYS A 845 6.032 1.613 6.042 1.00 0.00 C ATOM 1063 CG LYS A 845 5.297 2.499 7.035 1.00 0.00 C ATOM 1064 CD LYS A 845 6.194 2.906 8.198 1.00 0.00 C ATOM 1065 CE LYS A 845 6.846 1.699 8.852 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.434 2.029 10.176 1.00 0.00 N ATOM 0 H LYS A 845 6.931 0.133 4.313 1.00 0.00 H new ATOM 0 HA LYS A 845 4.507 0.140 5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 845 6.652 0.906 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.705 2.233 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 845 4.933 3.392 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.423 1.971 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 845 6.966 3.588 7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 845 5.606 3.449 8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.105 0.908 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.625 1.309 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 7.868 1.177 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 8.160 2.765 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 6.687 2.376 10.811 1.00 0.00 H new ATOM 1080 N GLY A 846 4.753 2.496 3.380 1.00 0.00 N ATOM 1081 CA GLY A 846 3.987 3.444 2.601 1.00 0.00 C ATOM 1082 C GLY A 846 2.927 2.782 1.745 1.00 0.00 C ATOM 1083 O GLY A 846 1.768 3.200 1.755 1.00 0.00 O ATOM 0 H GLY A 846 5.739 2.436 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.511 4.158 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.663 4.011 1.960 1.00 0.00 H new ATOM 1087 N VAL A 847 3.309 1.739 1.010 1.00 0.00 N ATOM 1088 CA VAL A 847 2.377 1.083 0.102 1.00 0.00 C ATOM 1089 C VAL A 847 1.239 0.408 0.864 1.00 0.00 C ATOM 1090 O VAL A 847 0.082 0.554 0.490 1.00 0.00 O ATOM 1091 CB VAL A 847 3.064 0.064 -0.841 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.040 0.772 -1.767 1.00 0.00 C ATOM 1093 CG2 VAL A 847 3.770 -1.042 -0.070 1.00 0.00 C ATOM 0 H VAL A 847 4.246 1.336 1.026 1.00 0.00 H new ATOM 0 HA VAL A 847 1.965 1.875 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 847 2.282 -0.404 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.514 0.042 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.504 1.506 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.803 1.277 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.237 -1.733 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.534 -0.606 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.045 -1.580 0.541 1.00 0.00 H new ATOM 1103 N PHE A 848 1.557 -0.291 1.951 1.00 0.00 N ATOM 1104 CA PHE A 848 0.536 -0.963 2.749 1.00 0.00 C ATOM 1105 C PHE A 848 -0.436 0.057 3.334 1.00 0.00 C ATOM 1106 O PHE A 848 -1.649 -0.158 3.335 1.00 0.00 O ATOM 1107 CB PHE A 848 1.184 -1.791 3.860 1.00 0.00 C ATOM 1108 CG PHE A 848 1.517 -3.201 3.445 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.524 -4.163 3.349 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.822 -3.562 3.152 1.00 0.00 C ATOM 1111 CE1 PHE A 848 0.828 -5.459 2.970 1.00 0.00 C ATOM 1112 CE2 PHE A 848 3.132 -4.854 2.773 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.134 -5.804 2.681 1.00 0.00 C ATOM 0 H PHE A 848 2.509 -0.406 2.298 1.00 0.00 H new ATOM 0 HA PHE A 848 -0.023 -1.639 2.101 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.096 -1.293 4.188 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.512 -1.823 4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.499 -3.898 3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.607 -2.824 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.045 -6.200 2.900 1.00 0.00 H new ATOM 0 HE2 PHE A 848 4.154 -5.121 2.549 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.374 -6.814 2.384 1.00 0.00 H new ATOM 1123 N ALA A 849 0.098 1.183 3.800 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.733 2.265 4.313 1.00 0.00 C ATOM 1125 C ALA A 849 -1.638 2.820 3.218 1.00 0.00 C ATOM 1126 O ALA A 849 -2.813 3.110 3.455 1.00 0.00 O ATOM 1127 CB ALA A 849 0.137 3.370 4.893 1.00 0.00 C ATOM 0 H ALA A 849 1.100 1.368 3.832 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.365 1.864 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.497 4.171 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.740 2.969 5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.792 3.763 4.116 1.00 0.00 H new ATOM 1133 N MET A 850 -1.084 2.947 2.017 1.00 0.00 N ATOM 1134 CA MET A 850 -1.828 3.456 0.870 1.00 0.00 C ATOM 1135 C MET A 850 -2.910 2.463 0.439 1.00 0.00 C ATOM 1136 O MET A 850 -3.998 2.863 0.025 1.00 0.00 O ATOM 1137 CB MET A 850 -0.863 3.772 -0.289 1.00 0.00 C ATOM 1138 CG MET A 850 -1.207 3.096 -1.609 1.00 0.00 C ATOM 1139 SD MET A 850 -0.148 3.634 -2.966 1.00 0.00 S ATOM 1140 CE MET A 850 0.852 2.171 -3.213 1.00 0.00 C ATOM 0 H MET A 850 -0.115 2.703 1.812 1.00 0.00 H new ATOM 0 HA MET A 850 -2.329 4.380 1.159 1.00 0.00 H new ATOM 0 HB2 MET A 850 -0.844 4.851 -0.444 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.144 3.474 0.004 1.00 0.00 H new ATOM 0 HG2 MET A 850 -1.120 2.016 -1.492 1.00 0.00 H new ATOM 0 HG3 MET A 850 -2.247 3.307 -1.860 1.00 0.00 H new ATOM 0 HE1 MET A 850 1.847 2.463 -3.549 1.00 0.00 H new ATOM 0 HE2 MET A 850 0.932 1.622 -2.275 1.00 0.00 H new ATOM 0 HE3 MET A 850 0.387 1.535 -3.966 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.614 1.170 0.551 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.584 0.130 0.216 1.00 0.00 C ATOM 1152 C LEU A 851 -4.565 -0.076 1.367 1.00 0.00 C ATOM 1153 O LEU A 851 -5.566 -0.780 1.221 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.881 -1.197 -0.106 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.674 -1.101 -1.046 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -0.955 -2.437 -1.129 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.095 -0.640 -2.430 1.00 0.00 C ATOM 0 H LEU A 851 -1.712 0.818 0.871 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.131 0.458 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.554 -1.650 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.610 -1.875 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 851 -0.987 -0.360 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.101 -2.350 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.608 -2.726 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.639 -3.195 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.219 -0.581 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.807 -1.351 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.561 0.343 -2.360 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.243 0.525 2.516 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.089 0.478 3.709 1.00 0.00 C ATOM 1171 C ASN A 852 -5.039 -0.901 4.347 1.00 0.00 C ATOM 1172 O ASN A 852 -5.969 -1.324 5.038 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.534 0.877 3.389 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.106 1.807 4.436 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.161 3.022 4.245 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -7.524 1.246 5.558 1.00 0.00 N ATOM 0 H ASN A 852 -3.384 1.060 2.644 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.698 1.203 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.569 1.362 2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.152 -0.018 3.322 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -7.909 1.824 6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -7.461 0.235 5.677 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.931 -1.587 4.123 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.706 -2.900 4.697 1.00 0.00 C ATOM 1185 C LEU A 853 -3.082 -2.752 6.083 1.00 0.00 C ATOM 1186 O LEU A 853 -1.860 -2.806 6.236 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.800 -3.720 3.774 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.532 -4.645 2.803 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.841 -4.648 1.452 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -3.605 -6.054 3.366 1.00 0.00 C ATOM 0 H LEU A 853 -3.165 -1.250 3.540 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.656 -3.425 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.177 -3.035 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.130 -4.321 4.388 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.548 -4.274 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.375 -5.312 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -2.836 -3.637 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.815 -4.997 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -4.129 -6.700 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -2.596 -6.435 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -4.142 -6.039 4.315 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.940 -2.552 7.081 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.509 -2.252 8.450 1.00 0.00 C ATOM 1204 C VAL A 854 -2.509 -3.276 9.007 1.00 0.00 C ATOM 1205 O VAL A 854 -1.396 -2.896 9.357 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.705 -2.126 9.418 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -4.342 -1.237 10.598 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.930 -1.584 8.697 1.00 0.00 C ATOM 0 H VAL A 854 -4.953 -2.593 6.967 1.00 0.00 H new ATOM 0 HA VAL A 854 -3.001 -1.290 8.382 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.946 -3.120 9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -5.196 -1.159 11.271 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.497 -1.670 11.133 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -4.073 -0.245 10.237 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.760 -1.504 9.399 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.705 -0.599 8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.204 -2.260 7.887 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.866 -4.578 9.095 1.00 0.00 N ATOM 1219 CA PRO A 855 -1.972 -5.595 9.668 1.00 0.00 C ATOM 1220 C PRO A 855 -0.641 -5.679 8.923 1.00 0.00 C ATOM 1221 O PRO A 855 0.416 -5.811 9.540 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.758 -6.903 9.524 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.179 -6.482 9.390 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.146 -5.170 8.659 1.00 0.00 C ATOM 0 HA PRO A 855 -1.707 -5.365 10.700 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.429 -7.468 8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.617 -7.547 10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.757 -7.223 8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.649 -6.374 10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.179 -5.309 7.578 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.994 -4.539 8.925 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.696 -5.577 7.600 1.00 0.00 N ATOM 1233 CA GLY A 856 0.517 -5.596 6.801 1.00 0.00 C ATOM 1234 C GLY A 856 1.406 -4.401 7.092 1.00 0.00 C ATOM 1235 O GLY A 856 2.618 -4.542 7.268 1.00 0.00 O ATOM 0 H GLY A 856 -1.559 -5.481 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 856 1.068 -6.515 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.255 -5.604 5.743 1.00 0.00 H new ATOM 1239 N LYS A 857 0.797 -3.222 7.162 1.00 0.00 N ATOM 1240 CA LYS A 857 1.523 -2.000 7.475 1.00 0.00 C ATOM 1241 C LYS A 857 2.054 -2.060 8.907 1.00 0.00 C ATOM 1242 O LYS A 857 3.154 -1.589 9.193 1.00 0.00 O ATOM 1243 CB LYS A 857 0.608 -0.784 7.269 1.00 0.00 C ATOM 1244 CG LYS A 857 0.904 0.395 8.178 1.00 0.00 C ATOM 1245 CD LYS A 857 -0.343 1.225 8.419 1.00 0.00 C ATOM 1246 CE LYS A 857 -0.367 1.791 9.828 1.00 0.00 C ATOM 1247 NZ LYS A 857 -0.458 3.274 9.823 1.00 0.00 N ATOM 0 H LYS A 857 -0.202 -3.088 7.005 1.00 0.00 H new ATOM 0 HA LYS A 857 2.376 -1.901 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.691 -0.456 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.425 -1.094 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 857 1.295 0.035 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.678 1.018 7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.385 2.040 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 857 -1.228 0.610 8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 857 -1.215 1.376 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 857 0.534 1.483 10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 -0.472 3.624 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 0.364 3.671 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 -1.330 3.567 9.338 1.00 0.00 H new ATOM 1261 N GLN A 858 1.269 -2.667 9.792 1.00 0.00 N ATOM 1262 CA GLN A 858 1.668 -2.862 11.179 1.00 0.00 C ATOM 1263 C GLN A 858 2.943 -3.691 11.251 1.00 0.00 C ATOM 1264 O GLN A 858 3.866 -3.361 11.995 1.00 0.00 O ATOM 1265 CB GLN A 858 0.553 -3.560 11.957 1.00 0.00 C ATOM 1266 CG GLN A 858 -0.204 -2.645 12.902 1.00 0.00 C ATOM 1267 CD GLN A 858 -1.334 -3.360 13.614 1.00 0.00 C ATOM 1268 OE1 GLN A 858 -2.483 -2.924 13.570 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -1.015 -4.466 14.272 1.00 0.00 N ATOM 0 H GLN A 858 0.344 -3.035 9.568 1.00 0.00 H new ATOM 0 HA GLN A 858 1.855 -1.885 11.625 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.151 -3.998 11.249 1.00 0.00 H new ATOM 0 HB3 GLN A 858 0.983 -4.382 12.529 1.00 0.00 H new ATOM 0 HG2 GLN A 858 0.487 -2.237 13.640 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -0.607 -1.801 12.342 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -0.049 -4.792 14.283 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.736 -4.990 14.768 1.00 0.00 H new ATOM 1278 N LEU A 859 2.989 -4.759 10.464 1.00 0.00 N ATOM 1279 CA LEU A 859 4.171 -5.605 10.385 1.00 0.00 C ATOM 1280 C LEU A 859 5.372 -4.793 9.921 1.00 0.00 C ATOM 1281 O LEU A 859 6.464 -4.910 10.475 1.00 0.00 O ATOM 1282 CB LEU A 859 3.928 -6.769 9.425 1.00 0.00 C ATOM 1283 CG LEU A 859 3.104 -7.927 9.992 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.385 -8.667 8.874 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.992 -8.879 10.779 1.00 0.00 C ATOM 0 H LEU A 859 2.217 -5.060 9.869 1.00 0.00 H new ATOM 0 HA LEU A 859 4.377 -6.004 11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.423 -6.387 8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.893 -7.157 9.100 1.00 0.00 H new ATOM 0 HG LEU A 859 2.355 -7.517 10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.804 -9.487 9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.718 -7.980 8.353 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.117 -9.065 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 859 3.389 -9.696 11.175 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.764 -9.282 10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.461 -8.342 11.604 1.00 0.00 H new ATOM 1297 N CYS A 860 5.152 -3.953 8.914 1.00 0.00 N ATOM 1298 CA CYS A 860 6.204 -3.095 8.382 1.00 0.00 C ATOM 1299 C CYS A 860 6.664 -2.078 9.427 1.00 0.00 C ATOM 1300 O CYS A 860 7.821 -1.658 9.430 1.00 0.00 O ATOM 1301 CB CYS A 860 5.713 -2.368 7.129 1.00 0.00 C ATOM 1302 SG CYS A 860 5.012 -3.461 5.874 1.00 0.00 S ATOM 0 H CYS A 860 4.250 -3.849 8.449 1.00 0.00 H new ATOM 0 HA CYS A 860 7.053 -3.727 8.120 1.00 0.00 H new ATOM 0 HB2 CYS A 860 4.961 -1.634 7.418 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.545 -1.816 6.692 1.00 0.00 H new ATOM 0 HG CYS A 860 4.112 -4.225 6.418 1.00 0.00 H new ATOM 1308 N GLU A 861 5.752 -1.680 10.307 1.00 0.00 N ATOM 1309 CA GLU A 861 6.077 -0.742 11.373 1.00 0.00 C ATOM 1310 C GLU A 861 7.060 -1.368 12.354 1.00 0.00 C ATOM 1311 O GLU A 861 8.127 -0.810 12.622 1.00 0.00 O ATOM 1312 CB GLU A 861 4.809 -0.306 12.113 1.00 0.00 C ATOM 1313 CG GLU A 861 3.966 0.696 11.345 1.00 0.00 C ATOM 1314 CD GLU A 861 4.380 2.127 11.611 1.00 0.00 C ATOM 1315 OE1 GLU A 861 5.560 2.365 11.934 1.00 0.00 O ATOM 1316 OE2 GLU A 861 3.527 3.024 11.491 1.00 0.00 O ATOM 0 H GLU A 861 4.781 -1.993 10.302 1.00 0.00 H new ATOM 0 HA GLU A 861 6.540 0.136 10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.204 -1.187 12.328 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.090 0.129 13.072 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.046 0.491 10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 861 2.918 0.568 11.617 1.00 0.00 H new ATOM 1323 N THR A 862 6.703 -2.537 12.871 1.00 0.00 N ATOM 1324 CA THR A 862 7.563 -3.250 13.798 1.00 0.00 C ATOM 1325 C THR A 862 8.858 -3.682 13.115 1.00 0.00 C ATOM 1326 O THR A 862 9.930 -3.613 13.712 1.00 0.00 O ATOM 1327 CB THR A 862 6.851 -4.481 14.386 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.434 -4.390 14.155 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.119 -4.598 15.875 1.00 0.00 C ATOM 0 H THR A 862 5.823 -3.009 12.662 1.00 0.00 H new ATOM 0 HA THR A 862 7.802 -2.566 14.612 1.00 0.00 H new ATOM 0 HB THR A 862 7.242 -5.370 13.890 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.990 -5.178 14.531 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.606 -5.475 16.269 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.191 -4.698 16.045 1.00 0.00 H new ATOM 0 HG23 THR A 862 6.753 -3.705 16.382 1.00 0.00 H new ATOM 1337 N LEU A 863 8.754 -4.108 11.857 1.00 0.00 N ATOM 1338 CA LEU A 863 9.929 -4.488 11.075 1.00 0.00 C ATOM 1339 C LEU A 863 10.911 -3.325 10.985 1.00 0.00 C ATOM 1340 O LEU A 863 12.101 -3.486 11.247 1.00 0.00 O ATOM 1341 CB LEU A 863 9.521 -4.921 9.665 1.00 0.00 C ATOM 1342 CG LEU A 863 10.121 -6.244 9.184 1.00 0.00 C ATOM 1343 CD1 LEU A 863 9.546 -6.625 7.830 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.636 -6.150 9.101 1.00 0.00 C ATOM 0 H LEU A 863 7.869 -4.199 11.358 1.00 0.00 H new ATOM 0 HA LEU A 863 10.412 -5.325 11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.434 -5.000 9.628 1.00 0.00 H new ATOM 0 HB3 LEU A 863 9.808 -4.136 8.965 1.00 0.00 H new ATOM 0 HG LEU A 863 9.862 -7.018 9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 863 9.983 -7.568 7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 863 8.465 -6.735 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 863 9.778 -5.846 7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 863 12.041 -7.102 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 863 11.914 -5.363 8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 863 12.041 -5.918 10.086 1.00 0.00 H new ATOM 1356 N GLU A 864 10.396 -2.156 10.622 1.00 0.00 N ATOM 1357 CA GLU A 864 11.203 -0.946 10.529 1.00 0.00 C ATOM 1358 C GLU A 864 11.921 -0.680 11.846 1.00 0.00 C ATOM 1359 O GLU A 864 13.117 -0.388 11.871 1.00 0.00 O ATOM 1360 CB GLU A 864 10.316 0.246 10.178 1.00 0.00 C ATOM 1361 CG GLU A 864 10.946 1.207 9.191 1.00 0.00 C ATOM 1362 CD GLU A 864 10.884 2.642 9.668 1.00 0.00 C ATOM 1363 OE1 GLU A 864 9.783 3.094 10.040 1.00 0.00 O ATOM 1364 OE2 GLU A 864 11.928 3.323 9.665 1.00 0.00 O ATOM 0 H GLU A 864 9.413 -2.021 10.385 1.00 0.00 H new ATOM 0 HA GLU A 864 11.947 -1.086 9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.377 -0.121 9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.072 0.787 11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 864 11.986 0.926 9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.437 1.123 8.231 1.00 0.00 H new ATOM 1371 N HIS A 865 11.180 -0.802 12.939 1.00 0.00 N ATOM 1372 CA HIS A 865 11.734 -0.596 14.267 1.00 0.00 C ATOM 1373 C HIS A 865 12.792 -1.652 14.580 1.00 0.00 C ATOM 1374 O HIS A 865 13.808 -1.352 15.191 1.00 0.00 O ATOM 1375 CB HIS A 865 10.618 -0.638 15.315 1.00 0.00 C ATOM 1376 CG HIS A 865 10.918 0.150 16.548 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.371 1.390 16.798 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.709 -0.132 17.608 1.00 0.00 C ATOM 1379 CE1 HIS A 865 10.815 1.835 17.959 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.627 0.929 18.470 1.00 0.00 N ATOM 0 H HIS A 865 10.189 -1.044 12.930 1.00 0.00 H new ATOM 0 HA HIS A 865 12.209 0.385 14.295 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.699 -0.260 14.868 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.433 -1.675 15.594 1.00 0.00 H new ATOM 0 HD2 HIS A 865 12.296 -1.027 17.749 1.00 0.00 H new ATOM 0 HE1 HIS A 865 10.557 2.780 18.413 1.00 0.00 H new ATOM 0 HE2 HIS A 865 12.115 1.006 19.363 1.00 0.00 H new ATOM 1389 N LEU A 866 12.554 -2.883 14.149 1.00 0.00 N ATOM 1390 CA LEU A 866 13.510 -3.963 14.360 1.00 0.00 C ATOM 1391 C LEU A 866 14.786 -3.721 13.557 1.00 0.00 C ATOM 1392 O LEU A 866 15.876 -4.118 13.968 1.00 0.00 O ATOM 1393 CB LEU A 866 12.892 -5.310 13.977 1.00 0.00 C ATOM 1394 CG LEU A 866 11.907 -5.879 14.998 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.892 -6.777 14.312 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.646 -6.640 16.088 1.00 0.00 C ATOM 0 H LEU A 866 11.708 -3.159 13.651 1.00 0.00 H new ATOM 0 HA LEU A 866 13.767 -3.985 15.419 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.379 -5.200 13.021 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.695 -6.032 13.827 1.00 0.00 H new ATOM 0 HG LEU A 866 11.374 -5.049 15.463 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.198 -7.174 15.053 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.340 -6.201 13.570 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.409 -7.601 13.821 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.928 -7.037 16.805 1.00 0.00 H new ATOM 0 HD22 LEU A 866 13.206 -7.462 15.642 1.00 0.00 H new ATOM 0 HD23 LEU A 866 13.334 -5.967 16.599 1.00 0.00 H new ATOM 1408 N ILE A 867 14.644 -3.050 12.418 1.00 0.00 N ATOM 1409 CA ILE A 867 15.784 -2.715 11.576 1.00 0.00 C ATOM 1410 C ILE A 867 16.579 -1.594 12.227 1.00 0.00 C ATOM 1411 O ILE A 867 17.813 -1.594 12.220 1.00 0.00 O ATOM 1412 CB ILE A 867 15.339 -2.283 10.156 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.742 -3.470 9.402 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.511 -1.705 9.376 1.00 0.00 C ATOM 1415 CD1 ILE A 867 13.750 -3.070 8.332 1.00 0.00 C ATOM 0 H ILE A 867 13.746 -2.727 12.057 1.00 0.00 H new ATOM 0 HA ILE A 867 16.404 -3.606 11.474 1.00 0.00 H new ATOM 0 HB ILE A 867 14.577 -1.510 10.259 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.549 -4.041 8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.249 -4.131 10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.176 -1.408 8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 867 16.904 -0.834 9.901 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.294 -2.458 9.285 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.367 -3.963 7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 867 12.923 -2.525 8.788 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.244 -2.433 7.598 1.00 0.00 H new ATOM 1427 N ARG A 868 15.853 -0.651 12.810 1.00 0.00 N ATOM 1428 CA ARG A 868 16.464 0.457 13.521 1.00 0.00 C ATOM 1429 C ARG A 868 17.171 -0.044 14.783 1.00 0.00 C ATOM 1430 O ARG A 868 18.233 0.460 15.150 1.00 0.00 O ATOM 1431 CB ARG A 868 15.400 1.525 13.840 1.00 0.00 C ATOM 1432 CG ARG A 868 14.855 1.488 15.248 1.00 0.00 C ATOM 1433 CD ARG A 868 15.635 2.408 16.159 1.00 0.00 C ATOM 1434 NE ARG A 868 14.997 3.709 16.330 1.00 0.00 N ATOM 1435 CZ ARG A 868 14.607 4.190 17.509 1.00 0.00 C ATOM 1436 NH1 ARG A 868 14.673 3.432 18.598 1.00 0.00 N ATOM 1437 NH2 ARG A 868 14.123 5.422 17.597 1.00 0.00 N ATOM 0 H ARG A 868 14.833 -0.634 12.803 1.00 0.00 H new ATOM 0 HA ARG A 868 17.222 0.921 12.889 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.831 2.510 13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.570 1.408 13.143 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.805 1.781 15.242 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.899 0.469 15.631 1.00 0.00 H new ATOM 0 HD2 ARG A 868 15.750 1.934 17.134 1.00 0.00 H new ATOM 0 HD3 ARG A 868 16.637 2.550 15.753 1.00 0.00 H new ATOM 0 HE ARG A 868 14.841 4.282 15.501 1.00 0.00 H new ATOM 0 HH11 ARG A 868 15.024 2.476 18.534 1.00 0.00 H new ATOM 0 HH12 ARG A 868 14.373 3.806 19.498 1.00 0.00 H new ATOM 0 HH21 ARG A 868 14.049 6.002 16.761 1.00 0.00 H new ATOM 0 HH22 ARG A 868 13.825 5.789 18.501 1.00 0.00 H new ATOM 1451 N GLU A 869 16.580 -1.047 15.434 1.00 0.00 N ATOM 1452 CA GLU A 869 17.171 -1.647 16.626 1.00 0.00 C ATOM 1453 C GLU A 869 18.273 -2.629 16.236 1.00 0.00 C ATOM 1454 O GLU A 869 19.029 -3.101 17.088 1.00 0.00 O ATOM 1455 CB GLU A 869 16.104 -2.373 17.453 1.00 0.00 C ATOM 1456 CG GLU A 869 15.020 -1.461 18.012 1.00 0.00 C ATOM 1457 CD GLU A 869 15.571 -0.343 18.872 1.00 0.00 C ATOM 1458 OE1 GLU A 869 16.454 -0.611 19.713 1.00 0.00 O ATOM 1459 OE2 GLU A 869 15.117 0.806 18.719 1.00 0.00 O ATOM 0 H GLU A 869 15.691 -1.460 15.153 1.00 0.00 H new ATOM 0 HA GLU A 869 17.601 -0.847 17.229 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.636 -3.136 16.832 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.591 -2.890 18.280 1.00 0.00 H new ATOM 0 HG2 GLU A 869 14.454 -1.031 17.186 1.00 0.00 H new ATOM 0 HG3 GLU A 869 14.322 -2.055 18.602 1.00 0.00 H new ATOM 1466 N LYS A 870 18.345 -2.925 14.938 1.00 0.00 N ATOM 1467 CA LYS A 870 19.340 -3.842 14.385 1.00 0.00 C ATOM 1468 C LYS A 870 19.177 -5.246 14.971 1.00 0.00 C ATOM 1469 O LYS A 870 20.156 -5.906 15.319 1.00 0.00 O ATOM 1470 CB LYS A 870 20.762 -3.317 14.627 1.00 0.00 C ATOM 1471 CG LYS A 870 20.961 -1.868 14.206 1.00 0.00 C ATOM 1472 CD LYS A 870 21.617 -1.772 12.841 1.00 0.00 C ATOM 1473 CE LYS A 870 21.962 -0.336 12.493 1.00 0.00 C ATOM 1474 NZ LYS A 870 20.866 0.336 11.747 1.00 0.00 N ATOM 0 H LYS A 870 17.713 -2.534 14.239 1.00 0.00 H new ATOM 0 HA LYS A 870 19.177 -3.903 13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 870 21.000 -3.414 15.686 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.468 -3.944 14.083 1.00 0.00 H new ATOM 0 HG2 LYS A 870 19.998 -1.358 14.185 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.577 -1.355 14.944 1.00 0.00 H new ATOM 0 HD2 LYS A 870 22.522 -2.379 12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 870 20.947 -2.181 12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 870 22.171 0.218 13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 870 22.873 -0.317 11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 21.143 1.314 11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 20.683 -0.177 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 20.003 0.342 12.328 1.00 0.00 H new ATOM 1488 N ASP A 871 17.930 -5.691 15.075 1.00 0.00 N ATOM 1489 CA ASP A 871 17.627 -7.024 15.585 1.00 0.00 C ATOM 1490 C ASP A 871 17.363 -7.973 14.426 1.00 0.00 C ATOM 1491 O ASP A 871 16.243 -8.050 13.917 1.00 0.00 O ATOM 1492 CB ASP A 871 16.410 -6.982 16.515 1.00 0.00 C ATOM 1493 CG ASP A 871 16.241 -8.262 17.317 1.00 0.00 C ATOM 1494 OD1 ASP A 871 15.704 -9.248 16.775 1.00 0.00 O ATOM 1495 OD2 ASP A 871 16.628 -8.276 18.506 1.00 0.00 O ATOM 0 H ASP A 871 17.109 -5.146 14.812 1.00 0.00 H new ATOM 0 HA ASP A 871 18.485 -7.382 16.154 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.510 -6.140 17.199 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.511 -6.807 15.923 1.00 0.00 H new ATOM 1500 N VAL A 872 18.405 -8.682 14.010 1.00 0.00 N ATOM 1501 CA VAL A 872 18.334 -9.572 12.851 1.00 0.00 C ATOM 1502 C VAL A 872 17.216 -10.619 12.978 1.00 0.00 C ATOM 1503 O VAL A 872 16.380 -10.727 12.078 1.00 0.00 O ATOM 1504 CB VAL A 872 19.680 -10.290 12.596 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.772 -10.756 11.150 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.850 -9.378 12.941 1.00 0.00 C ATOM 0 H VAL A 872 19.319 -8.659 14.461 1.00 0.00 H new ATOM 0 HA VAL A 872 18.105 -8.929 12.001 1.00 0.00 H new ATOM 0 HB VAL A 872 19.728 -11.166 13.243 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.726 -11.259 10.990 1.00 0.00 H new ATOM 0 HG12 VAL A 872 18.957 -11.448 10.938 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.699 -9.895 10.485 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.787 -9.902 12.755 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.807 -8.481 12.323 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.795 -9.097 13.993 1.00 0.00 H new ATOM 1516 N PRO A 873 17.176 -11.408 14.082 1.00 0.00 N ATOM 1517 CA PRO A 873 16.135 -12.426 14.286 1.00 0.00 C ATOM 1518 C PRO A 873 14.721 -11.865 14.134 1.00 0.00 C ATOM 1519 O PRO A 873 13.872 -12.474 13.477 1.00 0.00 O ATOM 1520 CB PRO A 873 16.362 -12.915 15.726 1.00 0.00 C ATOM 1521 CG PRO A 873 17.328 -11.955 16.335 1.00 0.00 C ATOM 1522 CD PRO A 873 18.133 -11.398 15.200 1.00 0.00 C ATOM 0 HA PRO A 873 16.209 -13.218 13.540 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.426 -12.935 16.284 1.00 0.00 H new ATOM 0 HB3 PRO A 873 16.760 -13.930 15.736 1.00 0.00 H new ATOM 0 HG2 PRO A 873 16.805 -11.161 16.868 1.00 0.00 H new ATOM 0 HG3 PRO A 873 17.970 -12.456 17.059 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.492 -10.392 15.415 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.009 -12.011 14.987 1.00 0.00 H new ATOM 1530 N GLY A 874 14.475 -10.703 14.736 1.00 0.00 N ATOM 1531 CA GLY A 874 13.176 -10.066 14.625 1.00 0.00 C ATOM 1532 C GLY A 874 12.851 -9.689 13.194 1.00 0.00 C ATOM 1533 O GLY A 874 11.736 -9.919 12.721 1.00 0.00 O ATOM 0 H GLY A 874 15.155 -10.192 15.299 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.408 -10.739 15.006 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.155 -9.173 15.249 1.00 0.00 H new ATOM 1537 N ILE A 875 13.836 -9.124 12.504 1.00 0.00 N ATOM 1538 CA ILE A 875 13.680 -8.727 11.110 1.00 0.00 C ATOM 1539 C ILE A 875 13.321 -9.933 10.244 1.00 0.00 C ATOM 1540 O ILE A 875 12.370 -9.884 9.464 1.00 0.00 O ATOM 1541 CB ILE A 875 14.969 -8.063 10.567 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.202 -6.720 11.257 1.00 0.00 C ATOM 1543 CG2 ILE A 875 14.894 -7.869 9.058 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.637 -6.248 11.187 1.00 0.00 C ATOM 0 H ILE A 875 14.759 -8.929 12.892 1.00 0.00 H new ATOM 0 HA ILE A 875 12.870 -7.999 11.066 1.00 0.00 H new ATOM 0 HB ILE A 875 15.806 -8.726 10.783 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.558 -5.969 10.800 1.00 0.00 H new ATOM 0 HG13 ILE A 875 14.905 -6.801 12.303 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.813 -7.401 8.705 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.770 -8.837 8.572 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.045 -7.230 8.815 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.730 -5.289 11.697 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.285 -6.980 11.670 1.00 0.00 H new ATOM 0 HD13 ILE A 875 16.932 -6.135 10.144 1.00 0.00 H new ATOM 1556 N GLU A 876 14.071 -11.020 10.414 1.00 0.00 N ATOM 1557 CA GLU A 876 13.863 -12.238 9.637 1.00 0.00 C ATOM 1558 C GLU A 876 12.444 -12.765 9.804 1.00 0.00 C ATOM 1559 O GLU A 876 11.738 -13.002 8.823 1.00 0.00 O ATOM 1560 CB GLU A 876 14.857 -13.315 10.066 1.00 0.00 C ATOM 1561 CG GLU A 876 16.293 -12.994 9.700 1.00 0.00 C ATOM 1562 CD GLU A 876 17.198 -14.204 9.767 1.00 0.00 C ATOM 1563 OE1 GLU A 876 16.734 -15.279 10.204 1.00 0.00 O ATOM 1564 OE2 GLU A 876 18.378 -14.086 9.381 1.00 0.00 O ATOM 0 H GLU A 876 14.834 -11.081 11.089 1.00 0.00 H new ATOM 0 HA GLU A 876 14.020 -11.991 8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.788 -13.453 11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 876 14.576 -14.262 9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.323 -12.579 8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 876 16.672 -12.225 10.373 1.00 0.00 H new ATOM 1571 N LYS A 877 12.030 -12.930 11.055 1.00 0.00 N ATOM 1572 CA LYS A 877 10.710 -13.462 11.363 1.00 0.00 C ATOM 1573 C LYS A 877 9.611 -12.596 10.754 1.00 0.00 C ATOM 1574 O LYS A 877 8.653 -13.110 10.173 1.00 0.00 O ATOM 1575 CB LYS A 877 10.513 -13.556 12.879 1.00 0.00 C ATOM 1576 CG LYS A 877 9.676 -14.750 13.314 1.00 0.00 C ATOM 1577 CD LYS A 877 8.208 -14.380 13.463 1.00 0.00 C ATOM 1578 CE LYS A 877 7.339 -15.613 13.645 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.790 -16.105 12.353 1.00 0.00 N ATOM 0 H LYS A 877 12.593 -12.702 11.875 1.00 0.00 H new ATOM 0 HA LYS A 877 10.644 -14.460 10.929 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.489 -13.613 13.361 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.036 -12.641 13.232 1.00 0.00 H new ATOM 0 HG2 LYS A 877 9.777 -15.552 12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 877 10.053 -15.134 14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.084 -13.717 14.319 1.00 0.00 H new ATOM 0 HD3 LYS A 877 7.879 -13.829 12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 877 7.925 -16.403 14.114 1.00 0.00 H new ATOM 0 HE3 LYS A 877 6.518 -15.380 14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 5.932 -16.665 12.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 6.554 -15.295 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 7.499 -16.699 11.878 1.00 0.00 H new ATOM 1593 N TYR A 878 9.765 -11.284 10.870 1.00 0.00 N ATOM 1594 CA TYR A 878 8.747 -10.353 10.407 1.00 0.00 C ATOM 1595 C TYR A 878 8.674 -10.305 8.886 1.00 0.00 C ATOM 1596 O TYR A 878 7.585 -10.213 8.322 1.00 0.00 O ATOM 1597 CB TYR A 878 9.002 -8.961 10.976 1.00 0.00 C ATOM 1598 CG TYR A 878 8.305 -8.735 12.294 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.727 -9.391 13.443 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.224 -7.872 12.390 1.00 0.00 C ATOM 1601 CE1 TYR A 878 8.087 -9.200 14.648 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.580 -7.673 13.594 1.00 0.00 C ATOM 1603 CZ TYR A 878 7.017 -8.337 14.720 1.00 0.00 C ATOM 1604 OH TYR A 878 6.374 -8.144 15.919 1.00 0.00 O ATOM 0 H TYR A 878 10.586 -10.841 11.281 1.00 0.00 H new ATOM 0 HA TYR A 878 7.783 -10.711 10.769 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.074 -8.817 11.107 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.666 -8.212 10.259 1.00 0.00 H new ATOM 0 HD1 TYR A 878 9.571 -10.062 13.391 1.00 0.00 H new ATOM 0 HD2 TYR A 878 6.881 -7.348 11.510 1.00 0.00 H new ATOM 0 HE1 TYR A 878 8.423 -9.724 15.531 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.737 -7.000 13.654 1.00 0.00 H new ATOM 0 HH TYR A 878 5.642 -7.504 15.798 1.00 0.00 H new ATOM 1614 N ILE A 879 9.821 -10.377 8.221 1.00 0.00 N ATOM 1615 CA ILE A 879 9.840 -10.412 6.762 1.00 0.00 C ATOM 1616 C ILE A 879 9.088 -11.641 6.262 1.00 0.00 C ATOM 1617 O ILE A 879 8.266 -11.553 5.349 1.00 0.00 O ATOM 1618 CB ILE A 879 11.279 -10.428 6.197 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.977 -9.095 6.474 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.264 -10.712 4.701 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.417 -9.047 6.003 1.00 0.00 C ATOM 0 H ILE A 879 10.740 -10.412 8.661 1.00 0.00 H new ATOM 0 HA ILE A 879 9.353 -9.503 6.410 1.00 0.00 H new ATOM 0 HB ILE A 879 11.833 -11.223 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.419 -8.296 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.949 -8.897 7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.286 -10.719 4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.803 -11.683 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.693 -9.938 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.843 -8.071 6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.991 -9.823 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.453 -9.212 4.926 1.00 0.00 H new ATOM 1633 N SER A 880 9.361 -12.781 6.884 1.00 0.00 N ATOM 1634 CA SER A 880 8.691 -14.022 6.530 1.00 0.00 C ATOM 1635 C SER A 880 7.201 -13.958 6.863 1.00 0.00 C ATOM 1636 O SER A 880 6.381 -14.595 6.201 1.00 0.00 O ATOM 1637 CB SER A 880 9.352 -15.194 7.253 1.00 0.00 C ATOM 1638 OG SER A 880 10.761 -15.150 7.102 1.00 0.00 O ATOM 0 H SER A 880 10.043 -12.870 7.637 1.00 0.00 H new ATOM 0 HA SER A 880 8.785 -14.169 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 880 9.094 -15.166 8.312 1.00 0.00 H new ATOM 0 HB3 SER A 880 8.969 -16.134 6.857 1.00 0.00 H new ATOM 0 HG SER A 880 11.138 -14.504 7.735 1.00 0.00 H new ATOM 1644 N ASP A 881 6.850 -13.179 7.880 1.00 0.00 N ATOM 1645 CA ASP A 881 5.449 -13.005 8.261 1.00 0.00 C ATOM 1646 C ASP A 881 4.723 -12.147 7.228 1.00 0.00 C ATOM 1647 O ASP A 881 3.536 -12.330 6.975 1.00 0.00 O ATOM 1648 CB ASP A 881 5.338 -12.375 9.652 1.00 0.00 C ATOM 1649 CG ASP A 881 4.718 -13.319 10.665 1.00 0.00 C ATOM 1650 OD1 ASP A 881 5.327 -14.372 10.956 1.00 0.00 O ATOM 1651 OD2 ASP A 881 3.621 -13.015 11.184 1.00 0.00 O ATOM 0 H ASP A 881 7.512 -12.658 8.455 1.00 0.00 H new ATOM 0 HA ASP A 881 4.978 -13.987 8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.330 -12.079 9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 881 4.738 -11.467 9.590 1.00 0.00 H new ATOM 1656 N ILE A 882 5.447 -11.214 6.626 1.00 0.00 N ATOM 1657 CA ILE A 882 4.912 -10.420 5.525 1.00 0.00 C ATOM 1658 C ILE A 882 4.822 -11.275 4.261 1.00 0.00 C ATOM 1659 O ILE A 882 3.913 -11.113 3.443 1.00 0.00 O ATOM 1660 CB ILE A 882 5.769 -9.161 5.252 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.774 -8.250 6.483 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.248 -8.409 4.034 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.380 -6.884 6.237 1.00 0.00 C ATOM 0 H ILE A 882 6.408 -10.987 6.881 1.00 0.00 H new ATOM 0 HA ILE A 882 3.915 -10.085 5.813 1.00 0.00 H new ATOM 0 HB ILE A 882 6.792 -9.476 5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.749 -8.124 6.833 1.00 0.00 H new ATOM 0 HG13 ILE A 882 6.326 -8.742 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 882 5.865 -7.527 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.289 -9.059 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.217 -8.102 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.346 -6.300 7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.416 -6.998 5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 882 5.815 -6.370 5.460 1.00 0.00 H new ATOM 1675 N ASP A 883 5.756 -12.206 4.125 1.00 0.00 N ATOM 1676 CA ASP A 883 5.806 -13.083 2.966 1.00 0.00 C ATOM 1677 C ASP A 883 4.634 -14.040 3.023 1.00 0.00 C ATOM 1678 O ASP A 883 3.964 -14.298 2.026 1.00 0.00 O ATOM 1679 CB ASP A 883 7.125 -13.858 2.947 1.00 0.00 C ATOM 1680 CG ASP A 883 7.047 -15.167 2.178 1.00 0.00 C ATOM 1681 OD1 ASP A 883 7.115 -15.140 0.933 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.932 -16.235 2.819 1.00 0.00 O ATOM 0 H ASP A 883 6.494 -12.373 4.809 1.00 0.00 H new ATOM 0 HA ASP A 883 5.746 -12.489 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.899 -13.231 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.430 -14.066 3.973 1.00 0.00 H new ATOM 1687 N SER A 884 4.381 -14.537 4.218 1.00 0.00 N ATOM 1688 CA SER A 884 3.251 -15.400 4.455 1.00 0.00 C ATOM 1689 C SER A 884 1.955 -14.603 4.356 1.00 0.00 C ATOM 1690 O SER A 884 0.922 -15.129 3.942 1.00 0.00 O ATOM 1691 CB SER A 884 3.390 -16.059 5.825 1.00 0.00 C ATOM 1692 OG SER A 884 3.852 -15.143 6.798 1.00 0.00 O ATOM 0 H SER A 884 4.951 -14.353 5.044 1.00 0.00 H new ATOM 0 HA SER A 884 3.223 -16.183 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.426 -16.464 6.134 1.00 0.00 H new ATOM 0 HB3 SER A 884 4.082 -16.899 5.757 1.00 0.00 H new ATOM 0 HG SER A 884 4.831 -15.109 6.776 1.00 0.00 H new ATOM 1698 N TYR A 885 2.037 -13.320 4.709 1.00 0.00 N ATOM 1699 CA TYR A 885 0.896 -12.408 4.611 1.00 0.00 C ATOM 1700 C TYR A 885 0.413 -12.324 3.182 1.00 0.00 C ATOM 1701 O TYR A 885 -0.734 -12.633 2.866 1.00 0.00 O ATOM 1702 CB TYR A 885 1.298 -10.996 5.045 1.00 0.00 C ATOM 1703 CG TYR A 885 0.133 -10.116 5.428 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.630 -10.381 6.556 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.206 -9.021 4.648 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.701 -9.575 6.895 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.271 -8.209 4.979 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.019 -8.491 6.104 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.087 -7.686 6.432 1.00 0.00 O ATOM 0 H TYR A 885 2.888 -12.886 5.068 1.00 0.00 H new ATOM 0 HA TYR A 885 0.110 -12.794 5.259 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.980 -11.068 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.848 -10.520 4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.384 -11.229 7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.375 -8.800 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.286 -9.793 7.776 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.518 -7.358 4.362 1.00 0.00 H new ATOM 0 HH TYR A 885 -2.916 -6.772 6.122 1.00 0.00 H new ATOM 1719 N VAL A 886 1.322 -11.916 2.325 1.00 0.00 N ATOM 1720 CA VAL A 886 1.013 -11.672 0.938 1.00 0.00 C ATOM 1721 C VAL A 886 0.694 -12.977 0.213 1.00 0.00 C ATOM 1722 O VAL A 886 -0.144 -13.008 -0.683 1.00 0.00 O ATOM 1723 CB VAL A 886 2.177 -10.908 0.267 1.00 0.00 C ATOM 1724 CG1 VAL A 886 3.412 -11.784 0.102 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.752 -10.316 -1.070 1.00 0.00 C ATOM 0 H VAL A 886 2.297 -11.744 2.572 1.00 0.00 H new ATOM 0 HA VAL A 886 0.121 -11.049 0.876 1.00 0.00 H new ATOM 0 HB VAL A 886 2.444 -10.087 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 886 4.206 -11.208 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.748 -12.127 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 886 3.167 -12.645 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.593 -9.785 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.433 -11.116 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 886 0.926 -9.622 -0.915 1.00 0.00 H new ATOM 1735 N LYS A 887 1.329 -14.062 0.644 1.00 0.00 N ATOM 1736 CA LYS A 887 1.080 -15.373 0.064 1.00 0.00 C ATOM 1737 C LYS A 887 -0.350 -15.831 0.340 1.00 0.00 C ATOM 1738 O LYS A 887 -0.998 -16.424 -0.526 1.00 0.00 O ATOM 1739 CB LYS A 887 2.071 -16.399 0.615 1.00 0.00 C ATOM 1740 CG LYS A 887 3.019 -16.953 -0.435 1.00 0.00 C ATOM 1741 CD LYS A 887 4.458 -16.938 0.049 1.00 0.00 C ATOM 1742 CE LYS A 887 4.736 -18.088 1.000 1.00 0.00 C ATOM 1743 NZ LYS A 887 6.191 -18.300 1.201 1.00 0.00 N ATOM 0 H LYS A 887 2.020 -14.057 1.394 1.00 0.00 H new ATOM 0 HA LYS A 887 1.215 -15.293 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.654 -15.937 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 887 1.516 -17.223 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.729 -17.973 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 887 2.935 -16.364 -1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 887 5.131 -17.000 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 887 4.665 -15.992 0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.262 -17.887 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.287 -19.000 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.380 -19.315 1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 6.710 -17.954 0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 6.504 -17.780 2.046 1.00 0.00 H new ATOM 1757 N SER A 888 -0.846 -15.554 1.543 1.00 0.00 N ATOM 1758 CA SER A 888 -2.196 -15.960 1.913 1.00 0.00 C ATOM 1759 C SER A 888 -3.224 -14.947 1.414 1.00 0.00 C ATOM 1760 O SER A 888 -4.409 -15.253 1.300 1.00 0.00 O ATOM 1761 CB SER A 888 -2.311 -16.136 3.434 1.00 0.00 C ATOM 1762 OG SER A 888 -1.667 -15.081 4.133 1.00 0.00 O ATOM 0 H SER A 888 -0.337 -15.054 2.272 1.00 0.00 H new ATOM 0 HA SER A 888 -2.403 -16.919 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.363 -16.173 3.718 1.00 0.00 H new ATOM 0 HB3 SER A 888 -1.869 -17.089 3.725 1.00 0.00 H new ATOM 0 HG SER A 888 -0.744 -15.340 4.338 1.00 0.00 H new ATOM 1768 N LEU A 889 -2.766 -13.734 1.119 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.654 -12.691 0.625 1.00 0.00 C ATOM 1770 C LEU A 889 -3.722 -12.688 -0.900 1.00 0.00 C ATOM 1771 O LEU A 889 -4.561 -12.002 -1.482 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.206 -11.320 1.130 1.00 0.00 C ATOM 1773 CG LEU A 889 -4.232 -10.596 1.999 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -3.716 -10.450 3.420 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.573 -9.239 1.410 1.00 0.00 C ATOM 0 H LEU A 889 -1.790 -13.452 1.213 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.652 -12.904 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.286 -11.441 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -2.968 -10.691 0.272 1.00 0.00 H new ATOM 0 HG LEU A 889 -5.143 -11.193 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -4.460 -9.932 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -3.528 -11.437 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.789 -9.876 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -5.306 -8.740 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -3.670 -8.631 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -4.988 -9.370 0.411 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.823 -13.436 -1.537 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.836 -13.592 -2.991 1.00 0.00 C ATOM 1789 C LEU A 890 -4.195 -14.091 -3.476 1.00 0.00 C ATOM 1790 O LEU A 890 -4.707 -15.081 -2.907 1.00 0.00 O ATOM 1791 CB LEU A 890 -1.744 -14.575 -3.431 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.338 -13.984 -3.546 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.694 -15.091 -3.691 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -0.254 -13.020 -4.718 1.00 0.00 C ATOM 1795 OXT LEU A 890 -4.749 -13.494 -4.420 1.00 0.00 O ATOM 0 H LEU A 890 -2.074 -13.945 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 890 -2.644 -12.615 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.715 -15.402 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -2.024 -14.994 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 890 -0.124 -13.429 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.689 -14.653 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 890 0.654 -15.742 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.480 -15.673 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 890 0.754 -12.611 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -0.490 -13.549 -5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -0.966 -12.208 -4.573 1.00 0.00 H new