USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1053 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 657 HIS : no HD1:sc= -11.8! C(o=-23!,f=-31!) USER MOD Set 1.2: A 673 HIS : no HE2:sc= -10.7! C(o=-23!,f=-26!) USER MOD Set 2.1: A 628 SER OG : rot 91:sc= 1.17 USER MOD Set 2.2: A 640 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 549 MET CE :methyl 156:sc= -4.16! (180deg=-2.47) USER MOD Set 3.2: A 668 LYS NZ :NH3+ -103:sc= -0.561 (180deg=0) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 547 SER OG : rot 140:sc= -0.146 USER MOD Single : A 550 TYR OH : rot 15:sc= 1.15 USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 552 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 553 GLN : amide:sc= -2.17 K(o=-2.2,f=-0.3) USER MOD Single : A 554 GLN : amide:sc= -0.023 X(o=-0.023,f=-0.41) USER MOD Single : A 564 CYS SG : rot -113:sc= -4.55! USER MOD Single : A 566 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 570 MET CE :methyl -148:sc= -2.45! (180deg=-5.28!) USER MOD Single : A 573 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 SER OG : rot 153:sc= -4.22! USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 585 LYS NZ :NH3+ -179:sc= -0.493 (180deg=-0.494) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HD1:sc= -5.41 X(o=-5.4,f=-5.3!) USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 596 THR OG1 : rot 135:sc= 1.83 USER MOD Single : A 597 GLN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 599 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 LYS NZ :NH3+ -152:sc= -0.0502 (180deg=-0.516) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.7!) USER MOD Single : A 608 ASN : amide:sc= -0.0575 X(o=-0.057,f=-0.0034) USER MOD Single : A 613 TYR OH : rot -123:sc= 0.283 USER MOD Single : A 616 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 617 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-11!) USER MOD Single : A 618 SER OG : rot 180:sc= 0.146 USER MOD Single : A 622 LYS NZ :NH3+ 166:sc= -0.0201 (180deg=-0.271) USER MOD Single : A 623 LYS NZ :NH3+ -157:sc=-0.00111 (180deg=-0.258) USER MOD Single : A 624 SER OG : rot -4:sc= 0.948 USER MOD Single : A 632 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 638 ASN : amide:sc= -0.953 K(o=-0.95,f=-0.29) USER MOD Single : A 644 CYS SG : rot 180:sc= 0 USER MOD Single : A 645 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 649 SER OG : rot -49:sc= 0.00214 USER MOD Single : A 656 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0434) USER MOD Single : A 659 TYR OH : rot 180:sc= 0 USER MOD Single : A 661 CYS SG : rot 14:sc= -4.83! USER MOD Single : A 663 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 664 ASN : amide:sc= -2.68! C(o=-2.7!,f=-5.3!) USER MOD Single : A 665 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 LYS NZ :NH3+ 155:sc= -0.0154 (180deg=-0.5) USER MOD Single : A 674 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 676 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 677 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 27 N GLY A 542 -2.893 -9.483 9.348 1.00 0.00 N ATOM 28 CA GLY A 542 -3.973 -9.481 8.381 1.00 0.00 C ATOM 29 C GLY A 542 -3.489 -9.249 6.964 1.00 0.00 C ATOM 30 O GLY A 542 -2.292 -9.326 6.688 1.00 0.00 O ATOM 0 HA2 GLY A 542 -4.500 -10.434 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 542 -4.692 -8.706 8.647 1.00 0.00 H new ATOM 34 N LYS A 543 -4.423 -8.958 6.066 1.00 0.00 N ATOM 35 CA LYS A 543 -4.094 -8.705 4.669 1.00 0.00 C ATOM 36 C LYS A 543 -4.757 -7.416 4.199 1.00 0.00 C ATOM 37 O LYS A 543 -5.917 -7.156 4.518 1.00 0.00 O ATOM 38 CB LYS A 543 -4.547 -9.875 3.795 1.00 0.00 C ATOM 39 CG LYS A 543 -3.468 -10.922 3.573 1.00 0.00 C ATOM 40 CD LYS A 543 -4.047 -12.215 3.025 1.00 0.00 C ATOM 41 CE LYS A 543 -4.950 -12.895 4.040 1.00 0.00 C ATOM 42 NZ LYS A 543 -4.765 -14.373 4.045 1.00 0.00 N ATOM 0 H LYS A 543 -5.418 -8.891 6.282 1.00 0.00 H new ATOM 0 HA LYS A 543 -3.013 -8.600 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 543 -5.412 -10.350 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 543 -4.873 -9.491 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 543 -2.722 -10.534 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 543 -2.956 -11.122 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 543 -4.612 -12.006 2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 543 -3.237 -12.889 2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -4.741 -12.500 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -5.990 -12.660 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -5.399 -14.800 4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 -4.989 -14.754 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -3.778 -14.599 4.284 1.00 0.00 H new ATOM 56 N ILE A 544 -4.020 -6.609 3.444 1.00 0.00 N ATOM 57 CA ILE A 544 -4.556 -5.350 2.945 1.00 0.00 C ATOM 58 C ILE A 544 -4.687 -5.364 1.428 1.00 0.00 C ATOM 59 O ILE A 544 -3.732 -5.654 0.708 1.00 0.00 O ATOM 60 CB ILE A 544 -3.690 -4.150 3.382 1.00 0.00 C ATOM 61 CG1 ILE A 544 -4.488 -2.848 3.261 1.00 0.00 C ATOM 62 CG2 ILE A 544 -2.405 -4.079 2.569 1.00 0.00 C ATOM 63 CD1 ILE A 544 -4.577 -2.312 1.848 1.00 0.00 C ATOM 0 H ILE A 544 -3.058 -6.802 3.166 1.00 0.00 H new ATOM 0 HA ILE A 544 -5.549 -5.237 3.381 1.00 0.00 H new ATOM 0 HB ILE A 544 -3.413 -4.289 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 544 -5.496 -3.015 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 544 -4.029 -2.092 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 544 -1.813 -3.224 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 544 -1.832 -4.995 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 544 -2.649 -3.967 1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 544 -5.157 -1.389 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 544 -3.574 -2.111 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 544 -5.064 -3.049 1.209 1.00 0.00 H new ATOM 75 N LEU A 545 -5.886 -5.047 0.952 1.00 0.00 N ATOM 76 CA LEU A 545 -6.166 -5.019 -0.476 1.00 0.00 C ATOM 77 C LEU A 545 -5.645 -3.733 -1.103 1.00 0.00 C ATOM 78 O LEU A 545 -6.101 -2.639 -0.772 1.00 0.00 O ATOM 79 CB LEU A 545 -7.670 -5.140 -0.720 1.00 0.00 C ATOM 80 CG LEU A 545 -8.065 -5.566 -2.134 1.00 0.00 C ATOM 81 CD1 LEU A 545 -7.698 -7.020 -2.374 1.00 0.00 C ATOM 82 CD2 LEU A 545 -9.553 -5.348 -2.356 1.00 0.00 C ATOM 0 H LEU A 545 -6.683 -4.805 1.540 1.00 0.00 H new ATOM 0 HA LEU A 545 -5.657 -5.864 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -8.080 -5.860 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 545 -8.136 -4.179 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 545 -7.515 -4.951 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -7.987 -7.306 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -6.622 -7.148 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -8.221 -7.651 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -9.819 -5.656 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -10.119 -5.939 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -9.790 -4.292 -2.224 1.00 0.00 H new ATOM 94 N VAL A 546 -4.689 -3.872 -2.012 1.00 0.00 N ATOM 95 CA VAL A 546 -4.107 -2.721 -2.687 1.00 0.00 C ATOM 96 C VAL A 546 -4.328 -2.806 -4.192 1.00 0.00 C ATOM 97 O VAL A 546 -4.151 -3.862 -4.798 1.00 0.00 O ATOM 98 CB VAL A 546 -2.597 -2.606 -2.402 1.00 0.00 C ATOM 99 CG1 VAL A 546 -1.948 -1.604 -3.344 1.00 0.00 C ATOM 100 CG2 VAL A 546 -2.356 -2.217 -0.952 1.00 0.00 C ATOM 0 H VAL A 546 -4.301 -4.771 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 546 -4.607 -1.834 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 546 -2.139 -3.580 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 546 -0.882 -1.538 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 546 -2.088 -1.930 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 546 -2.408 -0.625 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 546 -1.284 -2.141 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 546 -2.828 -1.256 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 546 -2.783 -2.976 -0.296 1.00 0.00 H new ATOM 110 N SER A 547 -4.714 -1.686 -4.790 1.00 0.00 N ATOM 111 CA SER A 547 -4.957 -1.634 -6.225 1.00 0.00 C ATOM 112 C SER A 547 -3.964 -0.696 -6.906 1.00 0.00 C ATOM 113 O SER A 547 -3.581 0.329 -6.343 1.00 0.00 O ATOM 114 CB SER A 547 -6.389 -1.176 -6.507 1.00 0.00 C ATOM 115 OG SER A 547 -6.606 -1.005 -7.897 1.00 0.00 O ATOM 0 H SER A 547 -4.865 -0.802 -4.304 1.00 0.00 H new ATOM 0 HA SER A 547 -4.821 -2.637 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 547 -7.093 -1.910 -6.114 1.00 0.00 H new ATOM 0 HB3 SER A 547 -6.583 -0.238 -5.987 1.00 0.00 H new ATOM 0 HG SER A 547 -7.497 -1.339 -8.133 1.00 0.00 H new ATOM 121 N LEU A 548 -3.550 -1.054 -8.116 1.00 0.00 N ATOM 122 CA LEU A 548 -2.598 -0.240 -8.864 1.00 0.00 C ATOM 123 C LEU A 548 -3.216 0.282 -10.157 1.00 0.00 C ATOM 124 O LEU A 548 -4.232 -0.232 -10.626 1.00 0.00 O ATOM 125 CB LEU A 548 -1.338 -1.049 -9.177 1.00 0.00 C ATOM 126 CG LEU A 548 -0.475 -1.395 -7.964 1.00 0.00 C ATOM 127 CD1 LEU A 548 0.908 -1.845 -8.405 1.00 0.00 C ATOM 128 CD2 LEU A 548 -0.376 -0.203 -7.025 1.00 0.00 C ATOM 0 H LEU A 548 -3.857 -1.899 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 548 -2.329 0.615 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 548 -1.632 -1.975 -9.671 1.00 0.00 H new ATOM 0 HB3 LEU A 548 -0.731 -0.488 -9.888 1.00 0.00 H new ATOM 0 HG LEU A 548 -0.948 -2.217 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 548 1.509 -2.087 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 548 0.819 -2.727 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 548 1.390 -1.044 -8.965 1.00 0.00 H new ATOM 0 HD21 LEU A 548 0.242 -0.466 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 548 0.074 0.639 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 548 -1.373 0.074 -6.683 1.00 0.00 H new ATOM 140 N MET A 549 -2.595 1.310 -10.724 1.00 0.00 N ATOM 141 CA MET A 549 -3.074 1.916 -11.961 1.00 0.00 C ATOM 142 C MET A 549 -2.218 3.124 -12.325 1.00 0.00 C ATOM 143 O MET A 549 -2.205 4.119 -11.603 1.00 0.00 O ATOM 144 CB MET A 549 -4.537 2.340 -11.809 1.00 0.00 C ATOM 145 CG MET A 549 -5.355 2.202 -13.084 1.00 0.00 C ATOM 146 SD MET A 549 -6.228 3.719 -13.515 1.00 0.00 S ATOM 147 CE MET A 549 -7.859 3.371 -12.860 1.00 0.00 C ATOM 0 H MET A 549 -1.754 1.743 -10.344 1.00 0.00 H new ATOM 0 HA MET A 549 -3.000 1.179 -12.760 1.00 0.00 H new ATOM 0 HB2 MET A 549 -4.999 1.739 -11.026 1.00 0.00 H new ATOM 0 HB3 MET A 549 -4.572 3.378 -11.477 1.00 0.00 H new ATOM 0 HG2 MET A 549 -4.696 1.921 -13.905 1.00 0.00 H new ATOM 0 HG3 MET A 549 -6.076 1.394 -12.963 1.00 0.00 H new ATOM 0 HE1 MET A 549 -8.377 4.308 -12.656 1.00 0.00 H new ATOM 0 HE2 MET A 549 -8.428 2.793 -13.588 1.00 0.00 H new ATOM 0 HE3 MET A 549 -7.766 2.799 -11.937 1.00 0.00 H new ATOM 157 N TYR A 550 -1.501 3.035 -13.439 1.00 0.00 N ATOM 158 CA TYR A 550 -0.646 4.134 -13.874 1.00 0.00 C ATOM 159 C TYR A 550 -1.363 5.022 -14.884 1.00 0.00 C ATOM 160 O TYR A 550 -1.965 4.534 -15.841 1.00 0.00 O ATOM 161 CB TYR A 550 0.654 3.602 -14.483 1.00 0.00 C ATOM 162 CG TYR A 550 1.690 4.680 -14.704 1.00 0.00 C ATOM 163 CD1 TYR A 550 2.561 5.051 -13.686 1.00 0.00 C ATOM 164 CD2 TYR A 550 1.791 5.334 -15.925 1.00 0.00 C ATOM 165 CE1 TYR A 550 3.506 6.041 -13.881 1.00 0.00 C ATOM 166 CE2 TYR A 550 2.731 6.325 -16.128 1.00 0.00 C ATOM 167 CZ TYR A 550 3.586 6.675 -15.104 1.00 0.00 C ATOM 168 OH TYR A 550 4.524 7.662 -15.302 1.00 0.00 O ATOM 0 H TYR A 550 -1.494 2.221 -14.053 1.00 0.00 H new ATOM 0 HA TYR A 550 -0.407 4.732 -12.995 1.00 0.00 H new ATOM 0 HB2 TYR A 550 1.069 2.837 -13.827 1.00 0.00 H new ATOM 0 HB3 TYR A 550 0.432 3.120 -15.435 1.00 0.00 H new ATOM 0 HD1 TYR A 550 2.498 4.558 -12.727 1.00 0.00 H new ATOM 0 HD2 TYR A 550 1.123 5.063 -16.729 1.00 0.00 H new ATOM 0 HE1 TYR A 550 4.177 6.316 -13.081 1.00 0.00 H new ATOM 0 HE2 TYR A 550 2.796 6.823 -17.084 1.00 0.00 H new ATOM 0 HH TYR A 550 5.192 7.627 -14.586 1.00 0.00 H new ATOM 178 N SER A 551 -1.290 6.331 -14.664 1.00 0.00 N ATOM 179 CA SER A 551 -1.928 7.294 -15.552 1.00 0.00 C ATOM 180 C SER A 551 -0.895 7.990 -16.433 1.00 0.00 C ATOM 181 O SER A 551 -0.490 9.119 -16.158 1.00 0.00 O ATOM 182 CB SER A 551 -2.703 8.335 -14.741 1.00 0.00 C ATOM 183 OG SER A 551 -4.051 8.417 -15.172 1.00 0.00 O ATOM 0 H SER A 551 -0.794 6.749 -13.877 1.00 0.00 H new ATOM 0 HA SER A 551 -2.623 6.751 -16.193 1.00 0.00 H new ATOM 0 HB2 SER A 551 -2.671 8.074 -13.683 1.00 0.00 H new ATOM 0 HB3 SER A 551 -2.225 9.309 -14.843 1.00 0.00 H new ATOM 0 HG SER A 551 -4.525 9.088 -14.637 1.00 0.00 H new ATOM 189 N THR A 552 -0.475 7.309 -17.495 1.00 0.00 N ATOM 190 CA THR A 552 0.509 7.871 -18.416 1.00 0.00 C ATOM 191 C THR A 552 0.151 9.310 -18.757 1.00 0.00 C ATOM 192 O THR A 552 1.018 10.181 -18.820 1.00 0.00 O ATOM 193 CB THR A 552 0.589 7.039 -19.697 1.00 0.00 C ATOM 194 OG1 THR A 552 -0.350 7.498 -20.653 1.00 0.00 O ATOM 195 CG2 THR A 552 0.330 5.566 -19.473 1.00 0.00 C ATOM 0 H THR A 552 -0.798 6.373 -17.739 1.00 0.00 H new ATOM 0 HA THR A 552 1.483 7.852 -17.926 1.00 0.00 H new ATOM 0 HB THR A 552 1.611 7.161 -20.055 1.00 0.00 H new ATOM 0 HG1 THR A 552 -0.282 6.954 -21.466 1.00 0.00 H new ATOM 0 HG21 THR A 552 0.402 5.035 -20.422 1.00 0.00 H new ATOM 0 HG22 THR A 552 1.069 5.168 -18.778 1.00 0.00 H new ATOM 0 HG23 THR A 552 -0.669 5.431 -19.057 1.00 0.00 H new ATOM 203 N GLN A 553 -1.137 9.550 -18.968 1.00 0.00 N ATOM 204 CA GLN A 553 -1.621 10.884 -19.293 1.00 0.00 C ATOM 205 C GLN A 553 -1.089 11.896 -18.287 1.00 0.00 C ATOM 206 O GLN A 553 -0.587 12.956 -18.658 1.00 0.00 O ATOM 207 CB GLN A 553 -3.149 10.907 -19.296 1.00 0.00 C ATOM 208 CG GLN A 553 -3.747 11.529 -20.548 1.00 0.00 C ATOM 209 CD GLN A 553 -3.678 13.043 -20.534 1.00 0.00 C ATOM 210 OE1 GLN A 553 -4.700 13.723 -20.630 1.00 0.00 O ATOM 211 NE2 GLN A 553 -2.468 13.580 -20.416 1.00 0.00 N ATOM 0 H GLN A 553 -1.865 8.837 -18.920 1.00 0.00 H new ATOM 0 HA GLN A 553 -1.262 11.151 -20.287 1.00 0.00 H new ATOM 0 HB2 GLN A 553 -3.519 9.887 -19.195 1.00 0.00 H new ATOM 0 HB3 GLN A 553 -3.497 11.460 -18.424 1.00 0.00 H new ATOM 0 HG2 GLN A 553 -3.219 11.153 -21.424 1.00 0.00 H new ATOM 0 HG3 GLN A 553 -4.787 11.217 -20.644 1.00 0.00 H new ATOM 0 HE21 GLN A 553 -1.648 12.978 -20.339 1.00 0.00 H new ATOM 0 HE22 GLN A 553 -2.359 14.594 -20.402 1.00 0.00 H new ATOM 220 N GLN A 554 -1.197 11.549 -17.009 1.00 0.00 N ATOM 221 CA GLN A 554 -0.723 12.414 -15.938 1.00 0.00 C ATOM 222 C GLN A 554 0.773 12.224 -15.719 1.00 0.00 C ATOM 223 O GLN A 554 1.439 13.073 -15.126 1.00 0.00 O ATOM 224 CB GLN A 554 -1.482 12.121 -14.642 1.00 0.00 C ATOM 225 CG GLN A 554 -2.983 11.977 -14.834 1.00 0.00 C ATOM 226 CD GLN A 554 -3.698 13.313 -14.869 1.00 0.00 C ATOM 227 OE1 GLN A 554 -3.466 14.176 -14.021 1.00 0.00 O ATOM 228 NE2 GLN A 554 -4.574 13.491 -15.851 1.00 0.00 N ATOM 0 H GLN A 554 -1.610 10.672 -16.690 1.00 0.00 H new ATOM 0 HA GLN A 554 -0.905 13.449 -16.228 1.00 0.00 H new ATOM 0 HB2 GLN A 554 -1.091 11.204 -14.201 1.00 0.00 H new ATOM 0 HB3 GLN A 554 -1.291 12.924 -13.930 1.00 0.00 H new ATOM 0 HG2 GLN A 554 -3.177 11.441 -15.763 1.00 0.00 H new ATOM 0 HG3 GLN A 554 -3.392 11.371 -14.025 1.00 0.00 H new ATOM 0 HE21 GLN A 554 -4.735 12.749 -16.532 1.00 0.00 H new ATOM 0 HE22 GLN A 554 -5.086 14.370 -15.924 1.00 0.00 H new ATOM 237 N GLY A 555 1.295 11.101 -16.202 1.00 0.00 N ATOM 238 CA GLY A 555 2.709 10.813 -16.053 1.00 0.00 C ATOM 239 C GLY A 555 3.062 10.355 -14.652 1.00 0.00 C ATOM 240 O GLY A 555 4.109 10.721 -14.117 1.00 0.00 O ATOM 0 H GLY A 555 0.762 10.384 -16.695 1.00 0.00 H new ATOM 0 HA2 GLY A 555 2.997 10.042 -16.768 1.00 0.00 H new ATOM 0 HA3 GLY A 555 3.286 11.705 -16.297 1.00 0.00 H new ATOM 244 N GLY A 556 2.186 9.553 -14.056 1.00 0.00 N ATOM 245 CA GLY A 556 2.432 9.059 -12.715 1.00 0.00 C ATOM 246 C GLY A 556 1.674 7.781 -12.416 1.00 0.00 C ATOM 247 O GLY A 556 0.814 7.363 -13.191 1.00 0.00 O ATOM 0 H GLY A 556 1.312 9.237 -14.477 1.00 0.00 H new ATOM 0 HA2 GLY A 556 3.500 8.882 -12.587 1.00 0.00 H new ATOM 0 HA3 GLY A 556 2.147 9.824 -11.992 1.00 0.00 H new ATOM 251 N LEU A 557 1.995 7.160 -11.286 1.00 0.00 N ATOM 252 CA LEU A 557 1.342 5.923 -10.876 1.00 0.00 C ATOM 253 C LEU A 557 0.178 6.216 -9.938 1.00 0.00 C ATOM 254 O LEU A 557 0.159 7.243 -9.264 1.00 0.00 O ATOM 255 CB LEU A 557 2.349 4.999 -10.185 1.00 0.00 C ATOM 256 CG LEU A 557 1.736 3.857 -9.374 1.00 0.00 C ATOM 257 CD1 LEU A 557 1.385 2.688 -10.281 1.00 0.00 C ATOM 258 CD2 LEU A 557 2.689 3.414 -8.275 1.00 0.00 C ATOM 0 H LEU A 557 2.706 7.495 -10.636 1.00 0.00 H new ATOM 0 HA LEU A 557 0.955 5.427 -11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 557 3.006 4.573 -10.943 1.00 0.00 H new ATOM 0 HB3 LEU A 557 2.973 5.599 -9.523 1.00 0.00 H new ATOM 0 HG LEU A 557 0.819 4.218 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 557 0.950 1.884 -9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 557 0.666 3.014 -11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 557 2.287 2.327 -10.775 1.00 0.00 H new ATOM 0 HD21 LEU A 557 2.237 2.601 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 557 3.623 3.071 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 557 2.891 4.253 -7.609 1.00 0.00 H new ATOM 270 N ILE A 558 -0.789 5.309 -9.890 1.00 0.00 N ATOM 271 CA ILE A 558 -1.945 5.484 -9.023 1.00 0.00 C ATOM 272 C ILE A 558 -2.097 4.295 -8.080 1.00 0.00 C ATOM 273 O ILE A 558 -2.262 3.158 -8.519 1.00 0.00 O ATOM 274 CB ILE A 558 -3.243 5.663 -9.832 1.00 0.00 C ATOM 275 CG1 ILE A 558 -2.978 6.500 -11.085 1.00 0.00 C ATOM 276 CG2 ILE A 558 -4.314 6.313 -8.967 1.00 0.00 C ATOM 277 CD1 ILE A 558 -3.015 7.992 -10.842 1.00 0.00 C ATOM 0 H ILE A 558 -0.796 4.449 -10.439 1.00 0.00 H new ATOM 0 HA ILE A 558 -1.773 6.390 -8.442 1.00 0.00 H new ATOM 0 HB ILE A 558 -3.600 4.682 -10.146 1.00 0.00 H new ATOM 0 HG12 ILE A 558 -2.002 6.231 -11.490 1.00 0.00 H new ATOM 0 HG13 ILE A 558 -3.719 6.246 -11.843 1.00 0.00 H new ATOM 0 HG21 ILE A 558 -5.227 6.435 -9.549 1.00 0.00 H new ATOM 0 HG22 ILE A 558 -4.516 5.681 -8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 558 -3.966 7.289 -8.629 1.00 0.00 H new ATOM 0 HD11 ILE A 558 -2.818 8.518 -11.776 1.00 0.00 H new ATOM 0 HD12 ILE A 558 -3.998 8.275 -10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 558 -2.255 8.260 -10.108 1.00 0.00 H new ATOM 289 N VAL A 559 -2.035 4.569 -6.782 1.00 0.00 N ATOM 290 CA VAL A 559 -2.159 3.526 -5.772 1.00 0.00 C ATOM 291 C VAL A 559 -3.516 3.601 -5.085 1.00 0.00 C ATOM 292 O VAL A 559 -3.866 4.622 -4.502 1.00 0.00 O ATOM 293 CB VAL A 559 -1.053 3.651 -4.714 1.00 0.00 C ATOM 294 CG1 VAL A 559 -0.772 2.307 -4.068 1.00 0.00 C ATOM 295 CG2 VAL A 559 0.212 4.231 -5.327 1.00 0.00 C ATOM 0 H VAL A 559 -1.899 5.507 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 559 -2.062 2.566 -6.279 1.00 0.00 H new ATOM 0 HB VAL A 559 -1.399 4.333 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 559 0.015 2.419 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 559 -1.678 1.938 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 559 -0.451 1.597 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 559 0.984 4.312 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 559 0.561 3.578 -6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 559 -0.001 5.220 -5.733 1.00 0.00 H new ATOM 305 N GLY A 560 -4.281 2.522 -5.166 1.00 0.00 N ATOM 306 CA GLY A 560 -5.597 2.512 -4.554 1.00 0.00 C ATOM 307 C GLY A 560 -5.690 1.602 -3.346 1.00 0.00 C ATOM 308 O GLY A 560 -5.645 0.379 -3.475 1.00 0.00 O ATOM 0 H GLY A 560 -4.018 1.658 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -5.859 3.527 -4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -6.332 2.197 -5.295 1.00 0.00 H new ATOM 312 N ILE A 561 -5.845 2.202 -2.170 1.00 0.00 N ATOM 313 CA ILE A 561 -5.974 1.442 -0.932 1.00 0.00 C ATOM 314 C ILE A 561 -7.439 1.110 -0.681 1.00 0.00 C ATOM 315 O ILE A 561 -8.217 1.970 -0.270 1.00 0.00 O ATOM 316 CB ILE A 561 -5.411 2.224 0.271 1.00 0.00 C ATOM 317 CG1 ILE A 561 -3.957 2.621 0.011 1.00 0.00 C ATOM 318 CG2 ILE A 561 -5.526 1.395 1.542 1.00 0.00 C ATOM 319 CD1 ILE A 561 -3.051 1.444 -0.276 1.00 0.00 C ATOM 0 H ILE A 561 -5.884 3.214 -2.049 1.00 0.00 H new ATOM 0 HA ILE A 561 -5.398 0.523 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 561 -5.996 3.134 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 561 -3.922 3.310 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 561 -3.575 3.160 0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 561 -5.124 1.960 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 561 -6.574 1.160 1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 561 -4.962 0.469 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 561 -2.036 1.800 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 561 -3.056 0.765 0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 561 -3.408 0.917 -1.161 1.00 0.00 H new ATOM 331 N ILE A 562 -7.819 -0.131 -0.959 1.00 0.00 N ATOM 332 CA ILE A 562 -9.202 -0.555 -0.793 1.00 0.00 C ATOM 333 C ILE A 562 -9.555 -0.853 0.660 1.00 0.00 C ATOM 334 O ILE A 562 -10.234 -0.062 1.312 1.00 0.00 O ATOM 335 CB ILE A 562 -9.518 -1.792 -1.654 1.00 0.00 C ATOM 336 CG1 ILE A 562 -8.954 -1.616 -3.064 1.00 0.00 C ATOM 337 CG2 ILE A 562 -11.020 -2.032 -1.705 1.00 0.00 C ATOM 338 CD1 ILE A 562 -8.016 -2.727 -3.484 1.00 0.00 C ATOM 0 H ILE A 562 -7.191 -0.859 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 562 -9.811 0.285 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 562 -9.045 -2.663 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 562 -9.780 -1.562 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 562 -8.425 -0.665 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 562 -11.228 -2.910 -2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 562 -11.397 -2.196 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 562 -11.513 -1.162 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 562 -7.655 -2.536 -4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 562 -7.170 -2.768 -2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 562 -8.547 -3.679 -3.462 1.00 0.00 H new ATOM 350 N ARG A 563 -9.114 -2.002 1.162 1.00 0.00 N ATOM 351 CA ARG A 563 -9.423 -2.387 2.534 1.00 0.00 C ATOM 352 C ARG A 563 -8.433 -3.415 3.069 1.00 0.00 C ATOM 353 O ARG A 563 -7.589 -3.925 2.334 1.00 0.00 O ATOM 354 CB ARG A 563 -10.840 -2.960 2.602 1.00 0.00 C ATOM 355 CG ARG A 563 -10.910 -4.442 2.273 1.00 0.00 C ATOM 356 CD ARG A 563 -12.252 -4.821 1.669 1.00 0.00 C ATOM 357 NE ARG A 563 -13.364 -4.151 2.337 1.00 0.00 N ATOM 358 CZ ARG A 563 -14.640 -4.447 2.115 1.00 0.00 C ATOM 359 NH1 ARG A 563 -14.962 -5.396 1.247 1.00 0.00 N ATOM 360 NH2 ARG A 563 -15.597 -3.795 2.762 1.00 0.00 N ATOM 0 H ARG A 563 -8.548 -2.676 0.646 1.00 0.00 H new ATOM 0 HA ARG A 563 -9.349 -1.494 3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 563 -11.241 -2.799 3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 563 -11.479 -2.412 1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 563 -10.112 -4.698 1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -10.741 -5.024 3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -12.258 -4.564 0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 563 -12.387 -5.901 1.736 1.00 0.00 H new ATOM 0 HE ARG A 563 -13.150 -3.416 3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 563 -14.229 -5.901 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 563 -15.942 -5.621 1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -15.354 -3.065 3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -16.576 -4.024 2.590 1.00 0.00 H new ATOM 374 N CYS A 564 -8.560 -3.721 4.355 1.00 0.00 N ATOM 375 CA CYS A 564 -7.700 -4.698 5.006 1.00 0.00 C ATOM 376 C CYS A 564 -8.543 -5.700 5.782 1.00 0.00 C ATOM 377 O CYS A 564 -9.702 -5.431 6.098 1.00 0.00 O ATOM 378 CB CYS A 564 -6.716 -4.001 5.943 1.00 0.00 C ATOM 379 SG CYS A 564 -7.419 -2.598 6.841 1.00 0.00 S ATOM 0 H CYS A 564 -9.257 -3.302 4.971 1.00 0.00 H new ATOM 0 HA CYS A 564 -7.134 -5.229 4.241 1.00 0.00 H new ATOM 0 HB2 CYS A 564 -6.340 -4.728 6.663 1.00 0.00 H new ATOM 0 HB3 CYS A 564 -5.861 -3.655 5.362 1.00 0.00 H new ATOM 0 HG CYS A 564 -6.851 -1.499 6.442 1.00 0.00 H new ATOM 385 N VAL A 565 -7.970 -6.860 6.080 1.00 0.00 N ATOM 386 CA VAL A 565 -8.702 -7.887 6.811 1.00 0.00 C ATOM 387 C VAL A 565 -7.794 -8.741 7.683 1.00 0.00 C ATOM 388 O VAL A 565 -6.620 -8.949 7.376 1.00 0.00 O ATOM 389 CB VAL A 565 -9.468 -8.813 5.852 1.00 0.00 C ATOM 390 CG1 VAL A 565 -10.371 -8.001 4.945 1.00 0.00 C ATOM 391 CG2 VAL A 565 -8.500 -9.659 5.037 1.00 0.00 C ATOM 0 H VAL A 565 -7.013 -7.111 5.831 1.00 0.00 H new ATOM 0 HA VAL A 565 -9.402 -7.352 7.454 1.00 0.00 H new ATOM 0 HB VAL A 565 -10.090 -9.486 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 565 -10.907 -8.670 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 565 -11.087 -7.444 5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 565 -9.769 -7.304 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 565 -9.061 -10.308 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 565 -7.849 -9.007 4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 565 -7.895 -10.269 5.708 1.00 0.00 H new ATOM 401 N HIS A 566 -8.367 -9.243 8.770 1.00 0.00 N ATOM 402 CA HIS A 566 -7.642 -10.099 9.704 1.00 0.00 C ATOM 403 C HIS A 566 -6.470 -9.363 10.342 1.00 0.00 C ATOM 404 O HIS A 566 -5.380 -9.917 10.482 1.00 0.00 O ATOM 405 CB HIS A 566 -7.139 -11.355 8.991 1.00 0.00 C ATOM 406 CG HIS A 566 -7.615 -12.629 9.617 1.00 0.00 C ATOM 407 ND1 HIS A 566 -7.462 -12.913 10.958 1.00 0.00 N ATOM 408 CD2 HIS A 566 -8.246 -13.699 9.078 1.00 0.00 C ATOM 409 CE1 HIS A 566 -7.976 -14.102 11.217 1.00 0.00 C ATOM 410 NE2 HIS A 566 -8.459 -14.600 10.093 1.00 0.00 N ATOM 0 H HIS A 566 -9.339 -9.071 9.029 1.00 0.00 H new ATOM 0 HA HIS A 566 -8.335 -10.385 10.496 1.00 0.00 H new ATOM 0 HB2 HIS A 566 -7.464 -11.327 7.951 1.00 0.00 H new ATOM 0 HB3 HIS A 566 -6.049 -11.348 8.985 1.00 0.00 H new ATOM 0 HD2 HIS A 566 -8.529 -13.821 8.043 1.00 0.00 H new ATOM 0 HE1 HIS A 566 -7.998 -14.585 12.183 1.00 0.00 H new ATOM 0 HE2 HIS A 566 -8.916 -15.507 9.995 1.00 0.00 H new ATOM 419 N LEU A 567 -6.700 -8.117 10.735 1.00 0.00 N ATOM 420 CA LEU A 567 -5.659 -7.317 11.363 1.00 0.00 C ATOM 421 C LEU A 567 -5.573 -7.613 12.856 1.00 0.00 C ATOM 422 O LEU A 567 -6.544 -8.054 13.469 1.00 0.00 O ATOM 423 CB LEU A 567 -5.924 -5.829 11.136 1.00 0.00 C ATOM 424 CG LEU A 567 -5.837 -5.371 9.680 1.00 0.00 C ATOM 425 CD1 LEU A 567 -5.885 -3.854 9.597 1.00 0.00 C ATOM 426 CD2 LEU A 567 -4.570 -5.905 9.026 1.00 0.00 C ATOM 0 H LEU A 567 -7.596 -7.640 10.630 1.00 0.00 H new ATOM 0 HA LEU A 567 -4.705 -7.580 10.905 1.00 0.00 H new ATOM 0 HB2 LEU A 567 -6.917 -5.590 11.517 1.00 0.00 H new ATOM 0 HB3 LEU A 567 -5.209 -5.254 11.725 1.00 0.00 H new ATOM 0 HG LEU A 567 -6.695 -5.772 9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 567 -5.822 -3.545 8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 567 -6.821 -3.496 10.026 1.00 0.00 H new ATOM 0 HD13 LEU A 567 -5.047 -3.433 10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 567 -4.526 -5.569 7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 567 -3.698 -5.535 9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 567 -4.578 -6.995 9.054 1.00 0.00 H new ATOM 438 N ALA A 568 -4.403 -7.374 13.433 1.00 0.00 N ATOM 439 CA ALA A 568 -4.186 -7.619 14.853 1.00 0.00 C ATOM 440 C ALA A 568 -4.838 -6.543 15.712 1.00 0.00 C ATOM 441 O ALA A 568 -5.233 -5.489 15.214 1.00 0.00 O ATOM 442 CB ALA A 568 -2.697 -7.692 15.155 1.00 0.00 C ATOM 0 H ALA A 568 -3.588 -7.010 12.939 1.00 0.00 H new ATOM 0 HA ALA A 568 -4.651 -8.574 15.098 1.00 0.00 H new ATOM 0 HB1 ALA A 568 -2.550 -7.875 16.219 1.00 0.00 H new ATOM 0 HB2 ALA A 568 -2.249 -8.504 14.582 1.00 0.00 H new ATOM 0 HB3 ALA A 568 -2.223 -6.749 14.881 1.00 0.00 H new ATOM 448 N ALA A 569 -4.940 -6.820 17.007 1.00 0.00 N ATOM 449 CA ALA A 569 -5.532 -5.884 17.952 1.00 0.00 C ATOM 450 C ALA A 569 -4.462 -5.274 18.848 1.00 0.00 C ATOM 451 O ALA A 569 -3.741 -5.983 19.549 1.00 0.00 O ATOM 452 CB ALA A 569 -6.590 -6.582 18.789 1.00 0.00 C ATOM 0 H ALA A 569 -4.618 -7.692 17.427 1.00 0.00 H new ATOM 0 HA ALA A 569 -6.005 -5.079 17.390 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.025 -5.871 19.492 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.371 -6.972 18.137 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -6.134 -7.404 19.340 1.00 0.00 H new ATOM 458 N MET A 570 -4.355 -3.953 18.802 1.00 0.00 N ATOM 459 CA MET A 570 -3.361 -3.234 19.591 1.00 0.00 C ATOM 460 C MET A 570 -3.922 -2.831 20.949 1.00 0.00 C ATOM 461 O MET A 570 -3.174 -2.511 21.872 1.00 0.00 O ATOM 462 CB MET A 570 -2.897 -1.999 18.824 1.00 0.00 C ATOM 463 CG MET A 570 -2.669 -2.265 17.344 1.00 0.00 C ATOM 464 SD MET A 570 -2.211 -3.978 17.002 1.00 0.00 S ATOM 465 CE MET A 570 -0.598 -3.739 16.302 1.00 0.00 C ATOM 0 H MET A 570 -4.946 -3.355 18.225 1.00 0.00 H new ATOM 0 HA MET A 570 -2.512 -3.895 19.764 1.00 0.00 H new ATOM 0 HB2 MET A 570 -3.641 -1.210 18.935 1.00 0.00 H new ATOM 0 HB3 MET A 570 -1.972 -1.630 19.267 1.00 0.00 H new ATOM 0 HG2 MET A 570 -3.576 -2.019 16.792 1.00 0.00 H new ATOM 0 HG3 MET A 570 -1.884 -1.604 16.978 1.00 0.00 H new ATOM 0 HE1 MET A 570 -0.407 -4.511 15.557 1.00 0.00 H new ATOM 0 HE2 MET A 570 -0.548 -2.758 15.829 1.00 0.00 H new ATOM 0 HE3 MET A 570 0.153 -3.801 17.089 1.00 0.00 H new ATOM 475 N ASP A 571 -5.247 -2.846 21.063 1.00 0.00 N ATOM 476 CA ASP A 571 -5.911 -2.478 22.307 1.00 0.00 C ATOM 477 C ASP A 571 -6.408 -3.714 23.048 1.00 0.00 C ATOM 478 O ASP A 571 -6.496 -4.800 22.475 1.00 0.00 O ATOM 479 CB ASP A 571 -7.080 -1.533 22.025 1.00 0.00 C ATOM 480 CG ASP A 571 -6.629 -0.224 21.410 1.00 0.00 C ATOM 481 OD1 ASP A 571 -5.830 0.489 22.054 1.00 0.00 O ATOM 482 OD2 ASP A 571 -7.074 0.090 20.286 1.00 0.00 O ATOM 0 H ASP A 571 -5.881 -3.109 20.308 1.00 0.00 H new ATOM 0 HA ASP A 571 -5.184 -1.968 22.939 1.00 0.00 H new ATOM 0 HB2 ASP A 571 -7.786 -2.023 21.354 1.00 0.00 H new ATOM 0 HB3 ASP A 571 -7.612 -1.330 22.954 1.00 0.00 H new ATOM 487 N ALA A 572 -6.730 -3.540 24.325 1.00 0.00 N ATOM 488 CA ALA A 572 -7.220 -4.642 25.146 1.00 0.00 C ATOM 489 C ALA A 572 -8.642 -5.031 24.755 1.00 0.00 C ATOM 490 O ALA A 572 -9.202 -5.988 25.290 1.00 0.00 O ATOM 491 CB ALA A 572 -7.156 -4.269 26.619 1.00 0.00 C ATOM 0 H ALA A 572 -6.661 -2.648 24.814 1.00 0.00 H new ATOM 0 HA ALA A 572 -6.578 -5.506 24.973 1.00 0.00 H new ATOM 0 HB1 ALA A 572 -7.524 -5.100 27.221 1.00 0.00 H new ATOM 0 HB2 ALA A 572 -6.124 -4.051 26.895 1.00 0.00 H new ATOM 0 HB3 ALA A 572 -7.773 -3.389 26.799 1.00 0.00 H new ATOM 497 N ASN A 573 -9.222 -4.287 23.818 1.00 0.00 N ATOM 498 CA ASN A 573 -10.577 -4.561 23.357 1.00 0.00 C ATOM 499 C ASN A 573 -10.577 -5.658 22.299 1.00 0.00 C ATOM 500 O ASN A 573 -11.629 -6.174 21.926 1.00 0.00 O ATOM 501 CB ASN A 573 -11.214 -3.290 22.791 1.00 0.00 C ATOM 502 CG ASN A 573 -12.322 -2.755 23.677 1.00 0.00 C ATOM 503 OD1 ASN A 573 -12.133 -2.558 24.877 1.00 0.00 O ATOM 504 ND2 ASN A 573 -13.488 -2.518 23.088 1.00 0.00 N ATOM 0 H ASN A 573 -8.775 -3.491 23.364 1.00 0.00 H new ATOM 0 HA ASN A 573 -11.163 -4.902 24.210 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -10.447 -2.525 22.671 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -11.614 -3.498 21.799 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -14.271 -2.158 23.634 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -13.601 -2.696 22.090 1.00 0.00 H new ATOM 511 N GLY A 574 -9.388 -6.006 21.816 1.00 0.00 N ATOM 512 CA GLY A 574 -9.274 -7.037 20.804 1.00 0.00 C ATOM 513 C GLY A 574 -9.310 -6.470 19.399 1.00 0.00 C ATOM 514 O GLY A 574 -9.447 -7.213 18.427 1.00 0.00 O ATOM 0 H GLY A 574 -8.503 -5.592 22.108 1.00 0.00 H new ATOM 0 HA2 GLY A 574 -8.342 -7.584 20.949 1.00 0.00 H new ATOM 0 HA3 GLY A 574 -10.086 -7.754 20.925 1.00 0.00 H new ATOM 518 N TYR A 575 -9.197 -5.149 19.291 1.00 0.00 N ATOM 519 CA TYR A 575 -9.224 -4.483 17.994 1.00 0.00 C ATOM 520 C TYR A 575 -7.993 -3.606 17.781 1.00 0.00 C ATOM 521 O TYR A 575 -7.032 -3.668 18.549 1.00 0.00 O ATOM 522 CB TYR A 575 -10.488 -3.644 17.869 1.00 0.00 C ATOM 523 CG TYR A 575 -11.608 -4.387 17.198 1.00 0.00 C ATOM 524 CD1 TYR A 575 -11.939 -5.669 17.597 1.00 0.00 C ATOM 525 CD2 TYR A 575 -12.328 -3.809 16.168 1.00 0.00 C ATOM 526 CE1 TYR A 575 -12.965 -6.364 16.986 1.00 0.00 C ATOM 527 CE2 TYR A 575 -13.357 -4.492 15.548 1.00 0.00 C ATOM 528 CZ TYR A 575 -13.672 -5.770 15.960 1.00 0.00 C ATOM 529 OH TYR A 575 -14.696 -6.455 15.348 1.00 0.00 O ATOM 0 H TYR A 575 -9.086 -4.520 20.086 1.00 0.00 H new ATOM 0 HA TYR A 575 -9.218 -5.254 17.224 1.00 0.00 H new ATOM 0 HB2 TYR A 575 -10.810 -3.327 18.861 1.00 0.00 H new ATOM 0 HB3 TYR A 575 -10.265 -2.740 17.302 1.00 0.00 H new ATOM 0 HD1 TYR A 575 -11.386 -6.135 18.400 1.00 0.00 H new ATOM 0 HD2 TYR A 575 -12.082 -2.809 15.843 1.00 0.00 H new ATOM 0 HE1 TYR A 575 -13.212 -7.365 17.309 1.00 0.00 H new ATOM 0 HE2 TYR A 575 -13.911 -4.028 14.746 1.00 0.00 H new ATOM 0 HH TYR A 575 -15.091 -5.895 14.647 1.00 0.00 H new ATOM 539 N SER A 576 -8.030 -2.786 16.729 1.00 0.00 N ATOM 540 CA SER A 576 -6.915 -1.894 16.413 1.00 0.00 C ATOM 541 C SER A 576 -7.391 -0.667 15.634 1.00 0.00 C ATOM 542 O SER A 576 -8.568 -0.551 15.291 1.00 0.00 O ATOM 543 CB SER A 576 -5.853 -2.632 15.591 1.00 0.00 C ATOM 544 OG SER A 576 -5.075 -3.494 16.400 1.00 0.00 O ATOM 0 H SER A 576 -8.818 -2.722 16.084 1.00 0.00 H new ATOM 0 HA SER A 576 -6.482 -1.565 17.357 1.00 0.00 H new ATOM 0 HB2 SER A 576 -6.338 -3.210 14.804 1.00 0.00 H new ATOM 0 HB3 SER A 576 -5.203 -1.907 15.100 1.00 0.00 H new ATOM 0 HG SER A 576 -4.740 -4.238 15.857 1.00 0.00 H new ATOM 550 N ASP A 577 -6.455 0.232 15.338 1.00 0.00 N ATOM 551 CA ASP A 577 -6.751 1.443 14.574 1.00 0.00 C ATOM 552 C ASP A 577 -5.775 1.544 13.408 1.00 0.00 C ATOM 553 O ASP A 577 -5.048 2.526 13.263 1.00 0.00 O ATOM 554 CB ASP A 577 -6.644 2.687 15.462 1.00 0.00 C ATOM 555 CG ASP A 577 -7.482 2.575 16.721 1.00 0.00 C ATOM 556 OD1 ASP A 577 -7.152 1.732 17.581 1.00 0.00 O ATOM 557 OD2 ASP A 577 -8.470 3.329 16.846 1.00 0.00 O ATOM 0 H ASP A 577 -5.478 0.144 15.618 1.00 0.00 H new ATOM 0 HA ASP A 577 -7.772 1.387 14.197 1.00 0.00 H new ATOM 0 HB2 ASP A 577 -5.601 2.845 15.736 1.00 0.00 H new ATOM 0 HB3 ASP A 577 -6.961 3.563 14.895 1.00 0.00 H new ATOM 562 N PRO A 578 -5.729 0.487 12.590 1.00 0.00 N ATOM 563 CA PRO A 578 -4.812 0.384 11.446 1.00 0.00 C ATOM 564 C PRO A 578 -5.091 1.344 10.296 1.00 0.00 C ATOM 565 O PRO A 578 -6.237 1.609 9.933 1.00 0.00 O ATOM 566 CB PRO A 578 -5.002 -1.056 10.965 1.00 0.00 C ATOM 567 CG PRO A 578 -6.355 -1.445 11.448 1.00 0.00 C ATOM 568 CD PRO A 578 -6.546 -0.728 12.752 1.00 0.00 C ATOM 0 HA PRO A 578 -3.802 0.645 11.761 1.00 0.00 H new ATOM 0 HB2 PRO A 578 -4.936 -1.122 9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 578 -4.233 -1.713 11.371 1.00 0.00 H new ATOM 0 HG2 PRO A 578 -7.123 -1.160 10.729 1.00 0.00 H new ATOM 0 HG3 PRO A 578 -6.427 -2.524 11.581 1.00 0.00 H new ATOM 0 HD2 PRO A 578 -7.594 -0.488 12.930 1.00 0.00 H new ATOM 0 HD3 PRO A 578 -6.209 -1.330 13.596 1.00 0.00 H new ATOM 576 N PHE A 579 -3.997 1.807 9.702 1.00 0.00 N ATOM 577 CA PHE A 579 -4.023 2.689 8.545 1.00 0.00 C ATOM 578 C PHE A 579 -2.933 2.219 7.588 1.00 0.00 C ATOM 579 O PHE A 579 -2.042 1.472 7.993 1.00 0.00 O ATOM 580 CB PHE A 579 -3.800 4.149 8.946 1.00 0.00 C ATOM 581 CG PHE A 579 -2.518 4.392 9.692 1.00 0.00 C ATOM 582 CD1 PHE A 579 -2.402 4.048 11.029 1.00 0.00 C ATOM 583 CD2 PHE A 579 -1.434 4.972 9.056 1.00 0.00 C ATOM 584 CE1 PHE A 579 -1.226 4.277 11.717 1.00 0.00 C ATOM 585 CE2 PHE A 579 -0.256 5.205 9.739 1.00 0.00 C ATOM 586 CZ PHE A 579 -0.152 4.857 11.072 1.00 0.00 C ATOM 0 H PHE A 579 -3.055 1.576 10.016 1.00 0.00 H new ATOM 0 HA PHE A 579 -5.001 2.645 8.067 1.00 0.00 H new ATOM 0 HB2 PHE A 579 -3.808 4.766 8.048 1.00 0.00 H new ATOM 0 HB3 PHE A 579 -4.635 4.476 9.565 1.00 0.00 H new ATOM 0 HD1 PHE A 579 -3.240 3.596 11.539 1.00 0.00 H new ATOM 0 HD2 PHE A 579 -1.510 5.245 8.014 1.00 0.00 H new ATOM 0 HE1 PHE A 579 -1.147 4.003 12.759 1.00 0.00 H new ATOM 0 HE2 PHE A 579 0.583 5.659 9.232 1.00 0.00 H new ATOM 0 HZ PHE A 579 0.768 5.038 11.608 1.00 0.00 H new ATOM 596 N VAL A 580 -2.996 2.615 6.324 1.00 0.00 N ATOM 597 CA VAL A 580 -1.988 2.163 5.373 1.00 0.00 C ATOM 598 C VAL A 580 -1.078 3.288 4.899 1.00 0.00 C ATOM 599 O VAL A 580 -1.538 4.360 4.509 1.00 0.00 O ATOM 600 CB VAL A 580 -2.624 1.485 4.147 1.00 0.00 C ATOM 601 CG1 VAL A 580 -1.542 0.972 3.213 1.00 0.00 C ATOM 602 CG2 VAL A 580 -3.540 0.351 4.579 1.00 0.00 C ATOM 0 H VAL A 580 -3.713 3.231 5.940 1.00 0.00 H new ATOM 0 HA VAL A 580 -1.383 1.437 5.917 1.00 0.00 H new ATOM 0 HB VAL A 580 -3.224 2.222 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 580 -2.004 0.494 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 580 -0.924 1.806 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 580 -0.921 0.247 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 580 -3.981 -0.116 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 580 -2.965 -0.390 5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 580 -4.332 0.746 5.215 1.00 0.00 H new ATOM 612 N LYS A 581 0.222 3.015 4.918 1.00 0.00 N ATOM 613 CA LYS A 581 1.224 3.974 4.473 1.00 0.00 C ATOM 614 C LYS A 581 1.967 3.413 3.269 1.00 0.00 C ATOM 615 O LYS A 581 2.397 2.259 3.278 1.00 0.00 O ATOM 616 CB LYS A 581 2.207 4.289 5.602 1.00 0.00 C ATOM 617 CG LYS A 581 1.587 5.069 6.750 1.00 0.00 C ATOM 618 CD LYS A 581 2.456 5.008 7.995 1.00 0.00 C ATOM 619 CE LYS A 581 2.721 6.396 8.557 1.00 0.00 C ATOM 620 NZ LYS A 581 3.802 7.099 7.811 1.00 0.00 N ATOM 0 H LYS A 581 0.608 2.128 5.240 1.00 0.00 H new ATOM 0 HA LYS A 581 0.725 4.900 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 581 2.616 3.355 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 581 3.043 4.859 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 581 1.448 6.108 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 581 0.599 4.666 6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 581 1.967 4.395 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 581 3.403 4.524 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 581 1.806 6.987 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 581 2.998 6.316 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 3.953 8.041 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 4.682 6.548 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 3.527 7.199 6.813 1.00 0.00 H new ATOM 634 N LEU A 582 2.098 4.220 2.226 1.00 0.00 N ATOM 635 CA LEU A 582 2.770 3.780 1.011 1.00 0.00 C ATOM 636 C LEU A 582 3.979 4.645 0.691 1.00 0.00 C ATOM 637 O LEU A 582 3.969 5.855 0.911 1.00 0.00 O ATOM 638 CB LEU A 582 1.787 3.807 -0.155 1.00 0.00 C ATOM 639 CG LEU A 582 0.321 3.659 0.246 1.00 0.00 C ATOM 640 CD1 LEU A 582 -0.424 4.968 0.039 1.00 0.00 C ATOM 641 CD2 LEU A 582 -0.330 2.536 -0.540 1.00 0.00 C ATOM 0 H LEU A 582 1.750 5.178 2.196 1.00 0.00 H new ATOM 0 HA LEU A 582 3.126 2.762 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 582 1.909 4.746 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 582 2.043 3.005 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 582 0.274 3.407 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 582 -1.467 4.843 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 582 0.032 5.747 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 582 -0.372 5.254 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 582 -1.375 2.442 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 582 -0.274 2.758 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 582 0.190 1.600 -0.336 1.00 0.00 H new ATOM 653 N TRP A 583 5.021 4.012 0.162 1.00 0.00 N ATOM 654 CA TRP A 583 6.239 4.724 -0.197 1.00 0.00 C ATOM 655 C TRP A 583 6.964 4.031 -1.348 1.00 0.00 C ATOM 656 O TRP A 583 7.460 2.914 -1.203 1.00 0.00 O ATOM 657 CB TRP A 583 7.167 4.844 1.014 1.00 0.00 C ATOM 658 CG TRP A 583 8.578 5.191 0.649 1.00 0.00 C ATOM 659 CD1 TRP A 583 9.020 5.717 -0.530 1.00 0.00 C ATOM 660 CD2 TRP A 583 9.732 5.039 1.478 1.00 0.00 C ATOM 661 NE1 TRP A 583 10.379 5.881 -0.494 1.00 0.00 N ATOM 662 CE2 TRP A 583 10.841 5.479 0.732 1.00 0.00 C ATOM 663 CE3 TRP A 583 9.932 4.570 2.775 1.00 0.00 C ATOM 664 CZ2 TRP A 583 12.135 5.464 1.248 1.00 0.00 C ATOM 665 CZ3 TRP A 583 11.215 4.557 3.288 1.00 0.00 C ATOM 666 CH2 TRP A 583 12.302 5.002 2.526 1.00 0.00 C ATOM 0 H TRP A 583 5.045 3.010 -0.027 1.00 0.00 H new ATOM 0 HA TRP A 583 5.956 5.724 -0.525 1.00 0.00 H new ATOM 0 HB2 TRP A 583 6.776 5.606 1.688 1.00 0.00 H new ATOM 0 HB3 TRP A 583 7.162 3.901 1.561 1.00 0.00 H new ATOM 0 HD1 TRP A 583 8.389 5.968 -1.370 1.00 0.00 H new ATOM 0 HE1 TRP A 583 10.953 6.243 -1.255 1.00 0.00 H new ATOM 0 HE3 TRP A 583 9.099 4.223 3.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 583 12.976 5.804 0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 583 11.382 4.198 4.293 1.00 0.00 H new ATOM 0 HH2 TRP A 583 13.293 4.980 2.955 1.00 0.00 H new ATOM 677 N LEU A 584 7.034 4.716 -2.484 1.00 0.00 N ATOM 678 CA LEU A 584 7.712 4.190 -3.663 1.00 0.00 C ATOM 679 C LEU A 584 9.179 4.599 -3.653 1.00 0.00 C ATOM 680 O LEU A 584 9.505 5.777 -3.797 1.00 0.00 O ATOM 681 CB LEU A 584 7.028 4.695 -4.938 1.00 0.00 C ATOM 682 CG LEU A 584 7.536 4.080 -6.244 1.00 0.00 C ATOM 683 CD1 LEU A 584 6.937 2.697 -6.449 1.00 0.00 C ATOM 684 CD2 LEU A 584 7.205 4.984 -7.425 1.00 0.00 C ATOM 0 H LEU A 584 6.627 5.642 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 584 7.653 3.102 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 584 5.958 4.501 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 584 7.153 5.776 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 584 8.620 3.981 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 584 7.309 2.274 -7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 584 7.222 2.050 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 584 5.851 2.774 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 584 7.574 4.530 -8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 584 6.125 5.114 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 584 7.679 5.955 -7.284 1.00 0.00 H new ATOM 696 N LYS A 585 10.063 3.622 -3.466 1.00 0.00 N ATOM 697 CA LYS A 585 11.492 3.895 -3.422 1.00 0.00 C ATOM 698 C LYS A 585 12.169 3.559 -4.750 1.00 0.00 C ATOM 699 O LYS A 585 11.514 3.115 -5.693 1.00 0.00 O ATOM 700 CB LYS A 585 12.148 3.105 -2.288 1.00 0.00 C ATOM 701 CG LYS A 585 11.167 2.646 -1.222 1.00 0.00 C ATOM 702 CD LYS A 585 11.857 1.828 -0.143 1.00 0.00 C ATOM 703 CE LYS A 585 11.297 2.140 1.236 1.00 0.00 C ATOM 704 NZ LYS A 585 9.966 1.507 1.451 1.00 0.00 N ATOM 0 H LYS A 585 9.814 2.640 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 585 11.619 4.962 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 585 12.651 2.233 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 585 12.916 3.723 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 585 10.687 3.514 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 585 10.379 2.050 -1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 585 11.734 0.766 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 585 12.927 2.034 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 585 11.993 1.790 1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 585 11.209 3.220 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 9.611 1.758 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 9.299 1.847 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 10.057 0.474 1.378 1.00 0.00 H new ATOM 812 N ALA A 592 7.332 10.778 -1.135 1.00 0.00 N ATOM 813 CA ALA A 592 7.080 9.445 -1.664 1.00 0.00 C ATOM 814 C ALA A 592 6.255 8.618 -0.685 1.00 0.00 C ATOM 815 O ALA A 592 5.561 7.681 -1.079 1.00 0.00 O ATOM 816 CB ALA A 592 8.392 8.740 -1.983 1.00 0.00 C ATOM 0 HA ALA A 592 6.509 9.549 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 592 8.184 7.745 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 592 8.944 9.317 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 592 8.988 8.653 -1.075 1.00 0.00 H new ATOM 822 N LYS A 593 6.334 8.973 0.594 1.00 0.00 N ATOM 823 CA LYS A 593 5.593 8.262 1.634 1.00 0.00 C ATOM 824 C LYS A 593 4.125 8.679 1.643 1.00 0.00 C ATOM 825 O LYS A 593 3.752 9.684 1.040 1.00 0.00 O ATOM 826 CB LYS A 593 6.220 8.525 3.003 1.00 0.00 C ATOM 827 CG LYS A 593 7.435 7.657 3.292 1.00 0.00 C ATOM 828 CD LYS A 593 8.640 8.498 3.680 1.00 0.00 C ATOM 829 CE LYS A 593 9.913 7.992 3.018 1.00 0.00 C ATOM 830 NZ LYS A 593 10.901 9.085 2.806 1.00 0.00 N ATOM 0 H LYS A 593 6.903 9.748 0.936 1.00 0.00 H new ATOM 0 HA LYS A 593 5.644 7.195 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 593 6.510 9.574 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 593 5.470 8.355 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 593 7.202 6.960 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 593 7.675 7.060 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 593 8.468 9.535 3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 593 8.762 8.483 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 593 10.360 7.214 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 593 9.667 7.534 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 11.754 8.699 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 10.484 9.816 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 11.156 9.505 3.723 1.00 0.00 H new ATOM 844 N HIS A 594 3.293 7.899 2.332 1.00 0.00 N ATOM 845 CA HIS A 594 1.866 8.196 2.414 1.00 0.00 C ATOM 846 C HIS A 594 1.211 7.494 3.599 1.00 0.00 C ATOM 847 O HIS A 594 1.825 6.658 4.262 1.00 0.00 O ATOM 848 CB HIS A 594 1.155 7.778 1.127 1.00 0.00 C ATOM 849 CG HIS A 594 1.267 8.779 0.022 1.00 0.00 C ATOM 850 ND1 HIS A 594 1.265 10.142 0.236 1.00 0.00 N ATOM 851 CD2 HIS A 594 1.392 8.610 -1.316 1.00 0.00 C ATOM 852 CE1 HIS A 594 1.383 10.768 -0.922 1.00 0.00 C ATOM 853 NE2 HIS A 594 1.463 9.861 -1.878 1.00 0.00 N ATOM 0 H HIS A 594 3.581 7.062 2.838 1.00 0.00 H new ATOM 0 HA HIS A 594 1.771 9.273 2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 594 1.568 6.828 0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 594 0.101 7.608 1.345 1.00 0.00 H new ATOM 0 HD2 HIS A 594 1.429 7.668 -1.842 1.00 0.00 H new ATOM 0 HE1 HIS A 594 1.409 11.839 -1.062 1.00 0.00 H new ATOM 0 HE2 HIS A 594 1.562 10.058 -2.874 1.00 0.00 H new ATOM 862 N LYS A 595 -0.051 7.839 3.845 1.00 0.00 N ATOM 863 CA LYS A 595 -0.820 7.250 4.935 1.00 0.00 C ATOM 864 C LYS A 595 -2.316 7.446 4.687 1.00 0.00 C ATOM 865 O LYS A 595 -2.791 8.574 4.566 1.00 0.00 O ATOM 866 CB LYS A 595 -0.388 7.857 6.283 1.00 0.00 C ATOM 867 CG LYS A 595 -1.418 8.769 6.946 1.00 0.00 C ATOM 868 CD LYS A 595 -1.361 10.180 6.383 1.00 0.00 C ATOM 869 CE LYS A 595 -2.255 11.126 7.168 1.00 0.00 C ATOM 870 NZ LYS A 595 -3.651 11.132 6.652 1.00 0.00 N ATOM 0 H LYS A 595 -0.565 8.530 3.298 1.00 0.00 H new ATOM 0 HA LYS A 595 -0.623 6.179 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -0.151 7.044 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 595 0.530 8.424 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -2.417 8.358 6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -1.240 8.798 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -0.333 10.543 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -1.669 10.169 5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -2.258 10.834 8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -1.846 12.135 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -4.227 11.790 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -3.652 11.435 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -4.051 10.175 6.722 1.00 0.00 H new ATOM 884 N THR A 596 -3.055 6.343 4.603 1.00 0.00 N ATOM 885 CA THR A 596 -4.493 6.409 4.359 1.00 0.00 C ATOM 886 C THR A 596 -5.252 6.765 5.628 1.00 0.00 C ATOM 887 O THR A 596 -4.681 6.815 6.716 1.00 0.00 O ATOM 888 CB THR A 596 -5.010 5.076 3.819 1.00 0.00 C ATOM 889 OG1 THR A 596 -5.194 4.148 4.873 1.00 0.00 O ATOM 890 CG2 THR A 596 -4.090 4.439 2.806 1.00 0.00 C ATOM 0 H THR A 596 -2.684 5.398 4.700 1.00 0.00 H new ATOM 0 HA THR A 596 -4.662 7.190 3.618 1.00 0.00 H new ATOM 0 HB THR A 596 -5.954 5.313 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 596 -6.054 3.691 4.760 1.00 0.00 H new ATOM 0 HG21 THR A 596 -4.520 3.497 2.466 1.00 0.00 H new ATOM 0 HG22 THR A 596 -3.966 5.109 1.955 1.00 0.00 H new ATOM 0 HG23 THR A 596 -3.119 4.250 3.264 1.00 0.00 H new ATOM 898 N GLN A 597 -6.550 7.001 5.475 1.00 0.00 N ATOM 899 CA GLN A 597 -7.400 7.341 6.607 1.00 0.00 C ATOM 900 C GLN A 597 -7.219 6.326 7.731 1.00 0.00 C ATOM 901 O GLN A 597 -6.883 5.167 7.486 1.00 0.00 O ATOM 902 CB GLN A 597 -8.868 7.389 6.176 1.00 0.00 C ATOM 903 CG GLN A 597 -9.319 8.763 5.707 1.00 0.00 C ATOM 904 CD GLN A 597 -10.661 8.726 5.002 1.00 0.00 C ATOM 905 OE1 GLN A 597 -10.870 9.416 4.004 1.00 0.00 O ATOM 906 NE2 GLN A 597 -11.580 7.919 5.520 1.00 0.00 N ATOM 0 H GLN A 597 -7.035 6.963 4.579 1.00 0.00 H new ATOM 0 HA GLN A 597 -7.109 8.326 6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 597 -9.026 6.670 5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 597 -9.494 7.076 7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 597 -9.381 9.433 6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 597 -8.569 9.177 5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 597 -11.363 7.365 6.349 1.00 0.00 H new ATOM 0 HE22 GLN A 597 -12.502 7.853 5.089 1.00 0.00 H new ATOM 915 N ILE A 598 -7.437 6.768 8.963 1.00 0.00 N ATOM 916 CA ILE A 598 -7.291 5.899 10.123 1.00 0.00 C ATOM 917 C ILE A 598 -8.554 5.078 10.366 1.00 0.00 C ATOM 918 O ILE A 598 -9.657 5.622 10.426 1.00 0.00 O ATOM 919 CB ILE A 598 -6.982 6.710 11.397 1.00 0.00 C ATOM 920 CG1 ILE A 598 -6.037 7.872 11.081 1.00 0.00 C ATOM 921 CG2 ILE A 598 -6.385 5.812 12.467 1.00 0.00 C ATOM 922 CD1 ILE A 598 -4.573 7.492 11.105 1.00 0.00 C ATOM 0 H ILE A 598 -7.716 7.724 9.184 1.00 0.00 H new ATOM 0 HA ILE A 598 -6.458 5.230 9.906 1.00 0.00 H new ATOM 0 HB ILE A 598 -7.917 7.123 11.776 1.00 0.00 H new ATOM 0 HG12 ILE A 598 -6.283 8.271 10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 598 -6.207 8.672 11.801 1.00 0.00 H new ATOM 0 HG21 ILE A 598 -6.173 6.401 13.359 1.00 0.00 H new ATOM 0 HG22 ILE A 598 -7.093 5.021 12.714 1.00 0.00 H new ATOM 0 HG23 ILE A 598 -5.460 5.369 12.096 1.00 0.00 H new ATOM 0 HD11 ILE A 598 -3.966 8.367 10.872 1.00 0.00 H new ATOM 0 HD12 ILE A 598 -4.310 7.121 12.096 1.00 0.00 H new ATOM 0 HD13 ILE A 598 -4.387 6.714 10.365 1.00 0.00 H new ATOM 934 N LYS A 599 -8.383 3.769 10.517 1.00 0.00 N ATOM 935 CA LYS A 599 -9.505 2.876 10.768 1.00 0.00 C ATOM 936 C LYS A 599 -9.605 2.564 12.258 1.00 0.00 C ATOM 937 O LYS A 599 -9.237 1.478 12.706 1.00 0.00 O ATOM 938 CB LYS A 599 -9.347 1.586 9.961 1.00 0.00 C ATOM 939 CG LYS A 599 -9.190 1.823 8.467 1.00 0.00 C ATOM 940 CD LYS A 599 -10.476 2.347 7.847 1.00 0.00 C ATOM 941 CE LYS A 599 -10.522 3.866 7.859 1.00 0.00 C ATOM 942 NZ LYS A 599 -11.883 4.380 8.177 1.00 0.00 N ATOM 0 H LYS A 599 -7.476 3.304 10.470 1.00 0.00 H new ATOM 0 HA LYS A 599 -10.424 3.370 10.453 1.00 0.00 H new ATOM 0 HB2 LYS A 599 -8.477 1.041 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 599 -10.216 0.951 10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 599 -8.384 2.536 8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 599 -8.902 0.892 7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 599 -10.559 1.988 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 599 -11.332 1.952 8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 599 -9.811 4.245 8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 599 -10.209 4.246 6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 599 -11.871 5.420 8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 599 -12.558 4.040 7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 599 -12.172 4.039 9.116 1.00 0.00 H new ATOM 956 N LYS A 600 -10.088 3.541 13.021 1.00 0.00 N ATOM 957 CA LYS A 600 -10.224 3.403 14.467 1.00 0.00 C ATOM 958 C LYS A 600 -10.977 2.135 14.859 1.00 0.00 C ATOM 959 O LYS A 600 -11.958 1.754 14.221 1.00 0.00 O ATOM 960 CB LYS A 600 -10.941 4.624 15.044 1.00 0.00 C ATOM 961 CG LYS A 600 -10.273 5.944 14.697 1.00 0.00 C ATOM 962 CD LYS A 600 -8.952 6.108 15.429 1.00 0.00 C ATOM 963 CE LYS A 600 -8.771 7.528 15.940 1.00 0.00 C ATOM 964 NZ LYS A 600 -9.073 8.539 14.888 1.00 0.00 N ATOM 0 H LYS A 600 -10.394 4.444 12.657 1.00 0.00 H new ATOM 0 HA LYS A 600 -9.218 3.331 14.880 1.00 0.00 H new ATOM 0 HB2 LYS A 600 -11.967 4.639 14.677 1.00 0.00 H new ATOM 0 HB3 LYS A 600 -10.991 4.526 16.128 1.00 0.00 H new ATOM 0 HG2 LYS A 600 -10.103 5.996 13.622 1.00 0.00 H new ATOM 0 HG3 LYS A 600 -10.938 6.768 14.955 1.00 0.00 H new ATOM 0 HD2 LYS A 600 -8.910 5.411 16.266 1.00 0.00 H new ATOM 0 HD3 LYS A 600 -8.130 5.853 14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 600 -9.423 7.691 16.798 1.00 0.00 H new ATOM 0 HE3 LYS A 600 -7.747 7.661 16.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 -8.522 9.402 15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 -8.821 8.155 13.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 -10.088 8.766 14.906 1.00 0.00 H new ATOM 978 N LYS A 601 -10.508 1.497 15.928 1.00 0.00 N ATOM 979 CA LYS A 601 -11.123 0.280 16.445 1.00 0.00 C ATOM 980 C LYS A 601 -11.691 -0.586 15.328 1.00 0.00 C ATOM 981 O LYS A 601 -12.890 -0.552 15.051 1.00 0.00 O ATOM 982 CB LYS A 601 -12.230 0.630 17.441 1.00 0.00 C ATOM 983 CG LYS A 601 -12.164 2.062 17.944 1.00 0.00 C ATOM 984 CD LYS A 601 -13.091 2.973 17.156 1.00 0.00 C ATOM 985 CE LYS A 601 -13.774 3.988 18.059 1.00 0.00 C ATOM 986 NZ LYS A 601 -13.579 5.382 17.575 1.00 0.00 N ATOM 0 H LYS A 601 -9.694 1.808 16.458 1.00 0.00 H new ATOM 0 HA LYS A 601 -10.344 -0.291 16.949 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -13.198 0.464 16.969 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -12.170 -0.048 18.292 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -12.435 2.091 18.999 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -11.140 2.429 17.867 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -12.523 3.494 16.386 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -13.845 2.373 16.645 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -14.840 3.768 18.111 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -13.380 3.897 19.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -14.060 6.043 18.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -12.563 5.602 17.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -13.978 5.477 16.619 1.00 0.00 H new ATOM 1000 N THR A 602 -10.825 -1.369 14.698 1.00 0.00 N ATOM 1001 CA THR A 602 -11.241 -2.255 13.618 1.00 0.00 C ATOM 1002 C THR A 602 -10.043 -3.003 13.042 1.00 0.00 C ATOM 1003 O THR A 602 -8.967 -2.432 12.868 1.00 0.00 O ATOM 1004 CB THR A 602 -11.930 -1.456 12.522 1.00 0.00 C ATOM 1005 OG1 THR A 602 -12.685 -2.304 11.676 1.00 0.00 O ATOM 1006 CG2 THR A 602 -10.954 -0.697 11.664 1.00 0.00 C ATOM 0 H THR A 602 -9.829 -1.409 14.916 1.00 0.00 H new ATOM 0 HA THR A 602 -11.942 -2.984 14.023 1.00 0.00 H new ATOM 0 HB THR A 602 -12.580 -0.747 13.034 1.00 0.00 H new ATOM 0 HG1 THR A 602 -13.120 -1.768 10.980 1.00 0.00 H new ATOM 0 HG21 THR A 602 -11.497 -0.144 10.898 1.00 0.00 H new ATOM 0 HG22 THR A 602 -10.390 0.000 12.284 1.00 0.00 H new ATOM 0 HG23 THR A 602 -10.267 -1.397 11.188 1.00 0.00 H new ATOM 1014 N LEU A 603 -10.238 -4.284 12.750 1.00 0.00 N ATOM 1015 CA LEU A 603 -9.173 -5.112 12.197 1.00 0.00 C ATOM 1016 C LEU A 603 -9.448 -5.455 10.736 1.00 0.00 C ATOM 1017 O LEU A 603 -8.574 -5.960 10.031 1.00 0.00 O ATOM 1018 CB LEU A 603 -9.034 -6.397 13.009 1.00 0.00 C ATOM 1019 CG LEU A 603 -9.047 -6.214 14.529 1.00 0.00 C ATOM 1020 CD1 LEU A 603 -8.604 -7.491 15.227 1.00 0.00 C ATOM 1021 CD2 LEU A 603 -8.157 -5.049 14.936 1.00 0.00 C ATOM 0 H LEU A 603 -11.123 -4.771 12.887 1.00 0.00 H new ATOM 0 HA LEU A 603 -8.243 -4.546 12.250 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -9.845 -7.071 12.734 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -8.102 -6.887 12.726 1.00 0.00 H new ATOM 0 HG LEU A 603 -10.069 -5.991 14.837 1.00 0.00 H new ATOM 0 HD11 LEU A 603 -8.620 -7.340 16.306 1.00 0.00 H new ATOM 0 HD12 LEU A 603 -9.282 -8.303 14.964 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -7.592 -7.746 14.911 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -8.180 -4.935 16.020 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -7.134 -5.242 14.613 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -8.519 -4.134 14.467 1.00 0.00 H new ATOM 1033 N ASN A 604 -10.668 -5.183 10.290 1.00 0.00 N ATOM 1034 CA ASN A 604 -11.062 -5.466 8.914 1.00 0.00 C ATOM 1035 C ASN A 604 -11.858 -4.302 8.325 1.00 0.00 C ATOM 1036 O ASN A 604 -12.973 -4.484 7.837 1.00 0.00 O ATOM 1037 CB ASN A 604 -11.900 -6.745 8.859 1.00 0.00 C ATOM 1038 CG ASN A 604 -11.377 -7.820 9.792 1.00 0.00 C ATOM 1039 OD1 ASN A 604 -10.815 -8.822 9.349 1.00 0.00 O ATOM 1040 ND2 ASN A 604 -11.560 -7.618 11.091 1.00 0.00 N ATOM 0 H ASN A 604 -11.403 -4.766 10.861 1.00 0.00 H new ATOM 0 HA ASN A 604 -10.157 -5.602 8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 604 -12.932 -6.511 9.121 1.00 0.00 H new ATOM 0 HB3 ASN A 604 -11.909 -7.127 7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 604 -11.230 -8.308 11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 604 -12.031 -6.773 11.414 1.00 0.00 H new ATOM 1047 N PRO A 605 -11.294 -3.084 8.376 1.00 0.00 N ATOM 1048 CA PRO A 605 -11.955 -1.879 7.860 1.00 0.00 C ATOM 1049 C PRO A 605 -11.860 -1.746 6.346 1.00 0.00 C ATOM 1050 O PRO A 605 -11.428 -2.666 5.654 1.00 0.00 O ATOM 1051 CB PRO A 605 -11.175 -0.752 8.525 1.00 0.00 C ATOM 1052 CG PRO A 605 -9.803 -1.305 8.703 1.00 0.00 C ATOM 1053 CD PRO A 605 -9.973 -2.783 8.954 1.00 0.00 C ATOM 0 HA PRO A 605 -13.024 -1.886 8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 605 -11.165 0.144 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 605 -11.618 -0.473 9.481 1.00 0.00 H new ATOM 0 HG2 PRO A 605 -9.194 -1.128 7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 605 -9.295 -0.824 9.539 1.00 0.00 H new ATOM 0 HD2 PRO A 605 -9.185 -3.364 8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 605 -9.939 -3.015 10.018 1.00 0.00 H new ATOM 1061 N GLU A 606 -12.266 -0.581 5.847 1.00 0.00 N ATOM 1062 CA GLU A 606 -12.232 -0.293 4.420 1.00 0.00 C ATOM 1063 C GLU A 606 -11.639 1.091 4.172 1.00 0.00 C ATOM 1064 O GLU A 606 -12.140 2.091 4.687 1.00 0.00 O ATOM 1065 CB GLU A 606 -13.643 -0.370 3.838 1.00 0.00 C ATOM 1066 CG GLU A 606 -13.748 0.156 2.416 1.00 0.00 C ATOM 1067 CD GLU A 606 -14.295 -0.877 1.451 1.00 0.00 C ATOM 1068 OE1 GLU A 606 -15.268 -1.571 1.815 1.00 0.00 O ATOM 1069 OE2 GLU A 606 -13.754 -0.992 0.333 1.00 0.00 O ATOM 0 H GLU A 606 -12.625 0.184 6.418 1.00 0.00 H new ATOM 0 HA GLU A 606 -11.603 -1.035 3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -13.978 -1.407 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -14.321 0.197 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -14.392 1.035 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -12.763 0.478 2.078 1.00 0.00 H new ATOM 1076 N PHE A 607 -10.566 1.143 3.388 1.00 0.00 N ATOM 1077 CA PHE A 607 -9.906 2.408 3.085 1.00 0.00 C ATOM 1078 C PHE A 607 -10.513 3.067 1.850 1.00 0.00 C ATOM 1079 O PHE A 607 -11.005 4.193 1.916 1.00 0.00 O ATOM 1080 CB PHE A 607 -8.409 2.187 2.866 1.00 0.00 C ATOM 1081 CG PHE A 607 -7.696 1.635 4.068 1.00 0.00 C ATOM 1082 CD1 PHE A 607 -7.601 2.374 5.236 1.00 0.00 C ATOM 1083 CD2 PHE A 607 -7.119 0.377 4.026 1.00 0.00 C ATOM 1084 CE1 PHE A 607 -6.942 1.869 6.342 1.00 0.00 C ATOM 1085 CE2 PHE A 607 -6.458 -0.135 5.127 1.00 0.00 C ATOM 1086 CZ PHE A 607 -6.370 0.612 6.289 1.00 0.00 C ATOM 0 H PHE A 607 -10.137 0.327 2.953 1.00 0.00 H new ATOM 0 HA PHE A 607 -10.053 3.071 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 607 -8.271 1.504 2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 607 -7.949 3.134 2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 607 -8.047 3.356 5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 607 -7.186 -0.211 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 607 -6.874 2.456 7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 607 -6.011 -1.117 5.081 1.00 0.00 H new ATOM 0 HZ PHE A 607 -5.856 0.214 7.151 1.00 0.00 H new ATOM 1096 N ASN A 608 -10.467 2.363 0.723 1.00 0.00 N ATOM 1097 CA ASN A 608 -11.004 2.892 -0.525 1.00 0.00 C ATOM 1098 C ASN A 608 -10.374 4.243 -0.843 1.00 0.00 C ATOM 1099 O ASN A 608 -11.070 5.214 -1.136 1.00 0.00 O ATOM 1100 CB ASN A 608 -12.525 3.032 -0.435 1.00 0.00 C ATOM 1101 CG ASN A 608 -13.182 3.096 -1.801 1.00 0.00 C ATOM 1102 OD1 ASN A 608 -13.842 4.077 -2.139 1.00 0.00 O ATOM 1103 ND2 ASN A 608 -13.002 2.045 -2.594 1.00 0.00 N ATOM 0 H ASN A 608 -10.065 1.429 0.649 1.00 0.00 H new ATOM 0 HA ASN A 608 -10.763 2.194 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 608 -12.932 2.188 0.122 1.00 0.00 H new ATOM 0 HB3 ASN A 608 -12.772 3.933 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 608 -13.419 2.031 -3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 608 -12.446 1.252 -2.272 1.00 0.00 H new ATOM 1110 N GLU A 609 -9.047 4.296 -0.771 1.00 0.00 N ATOM 1111 CA GLU A 609 -8.312 5.528 -1.039 1.00 0.00 C ATOM 1112 C GLU A 609 -7.548 5.441 -2.357 1.00 0.00 C ATOM 1113 O GLU A 609 -6.919 4.426 -2.656 1.00 0.00 O ATOM 1114 CB GLU A 609 -7.342 5.821 0.109 1.00 0.00 C ATOM 1115 CG GLU A 609 -7.818 6.922 1.043 1.00 0.00 C ATOM 1116 CD GLU A 609 -7.011 8.197 0.901 1.00 0.00 C ATOM 1117 OE1 GLU A 609 -5.941 8.154 0.258 1.00 0.00 O ATOM 1118 OE2 GLU A 609 -7.448 9.238 1.434 1.00 0.00 O ATOM 0 H GLU A 609 -8.458 3.499 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 609 -9.034 6.341 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 609 -7.188 4.909 0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 609 -6.374 6.102 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 609 -8.867 7.136 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 609 -7.757 6.571 2.073 1.00 0.00 H new ATOM 1125 N GLU A 610 -7.606 6.516 -3.140 1.00 0.00 N ATOM 1126 CA GLU A 610 -6.917 6.565 -4.425 1.00 0.00 C ATOM 1127 C GLU A 610 -5.727 7.517 -4.363 1.00 0.00 C ATOM 1128 O GLU A 610 -5.891 8.729 -4.229 1.00 0.00 O ATOM 1129 CB GLU A 610 -7.880 7.002 -5.530 1.00 0.00 C ATOM 1130 CG GLU A 610 -8.773 5.881 -6.037 1.00 0.00 C ATOM 1131 CD GLU A 610 -9.560 5.215 -4.925 1.00 0.00 C ATOM 1132 OE1 GLU A 610 -10.090 5.940 -4.056 1.00 0.00 O ATOM 1133 OE2 GLU A 610 -9.650 3.970 -4.925 1.00 0.00 O ATOM 0 H GLU A 610 -8.123 7.364 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 610 -6.550 5.564 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 610 -8.505 7.813 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 610 -7.305 7.403 -6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 610 -9.465 6.280 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 610 -8.161 5.134 -6.542 1.00 0.00 H new ATOM 1140 N PHE A 611 -4.527 6.954 -4.448 1.00 0.00 N ATOM 1141 CA PHE A 611 -3.299 7.736 -4.388 1.00 0.00 C ATOM 1142 C PHE A 611 -2.766 8.075 -5.775 1.00 0.00 C ATOM 1143 O PHE A 611 -3.281 7.603 -6.789 1.00 0.00 O ATOM 1144 CB PHE A 611 -2.241 6.962 -3.619 1.00 0.00 C ATOM 1145 CG PHE A 611 -2.406 7.059 -2.138 1.00 0.00 C ATOM 1146 CD1 PHE A 611 -3.366 6.306 -1.487 1.00 0.00 C ATOM 1147 CD2 PHE A 611 -1.600 7.899 -1.400 1.00 0.00 C ATOM 1148 CE1 PHE A 611 -3.520 6.392 -0.117 1.00 0.00 C ATOM 1149 CE2 PHE A 611 -1.742 7.993 -0.031 1.00 0.00 C ATOM 1150 CZ PHE A 611 -2.706 7.237 0.614 1.00 0.00 C ATOM 0 H PHE A 611 -4.379 5.951 -4.560 1.00 0.00 H new ATOM 0 HA PHE A 611 -3.530 8.673 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 611 -2.279 5.914 -3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 611 -1.254 7.335 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 611 -4.002 5.644 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 611 -0.848 8.491 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 611 -4.274 5.801 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 611 -1.103 8.654 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 611 -2.822 7.307 1.685 1.00 0.00 H new ATOM 1160 N PHE A 612 -1.717 8.891 -5.800 1.00 0.00 N ATOM 1161 CA PHE A 612 -1.083 9.301 -7.048 1.00 0.00 C ATOM 1162 C PHE A 612 0.419 9.485 -6.850 1.00 0.00 C ATOM 1163 O PHE A 612 0.854 10.203 -5.949 1.00 0.00 O ATOM 1164 CB PHE A 612 -1.704 10.602 -7.561 1.00 0.00 C ATOM 1165 CG PHE A 612 -1.294 10.949 -8.964 1.00 0.00 C ATOM 1166 CD1 PHE A 612 -1.099 9.954 -9.908 1.00 0.00 C ATOM 1167 CD2 PHE A 612 -1.106 12.269 -9.339 1.00 0.00 C ATOM 1168 CE1 PHE A 612 -0.724 10.269 -11.200 1.00 0.00 C ATOM 1169 CE2 PHE A 612 -0.730 12.591 -10.630 1.00 0.00 C ATOM 1170 CZ PHE A 612 -0.540 11.590 -11.561 1.00 0.00 C ATOM 0 H PHE A 612 -1.285 9.284 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 612 -1.246 8.517 -7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -2.790 10.519 -7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -1.421 11.418 -6.896 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -1.242 8.920 -9.631 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -1.255 13.056 -8.615 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -0.575 9.484 -11.927 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -0.585 13.624 -10.909 1.00 0.00 H new ATOM 0 HZ PHE A 612 -0.248 11.839 -12.570 1.00 0.00 H new ATOM 1180 N TYR A 613 1.207 8.831 -7.696 1.00 0.00 N ATOM 1181 CA TYR A 613 2.658 8.915 -7.617 1.00 0.00 C ATOM 1182 C TYR A 613 3.216 9.743 -8.767 1.00 0.00 C ATOM 1183 O TYR A 613 2.580 9.882 -9.811 1.00 0.00 O ATOM 1184 CB TYR A 613 3.269 7.515 -7.629 1.00 0.00 C ATOM 1185 CG TYR A 613 3.482 6.956 -6.246 1.00 0.00 C ATOM 1186 CD1 TYR A 613 2.438 6.362 -5.551 1.00 0.00 C ATOM 1187 CD2 TYR A 613 4.722 7.031 -5.635 1.00 0.00 C ATOM 1188 CE1 TYR A 613 2.625 5.853 -4.279 1.00 0.00 C ATOM 1189 CE2 TYR A 613 4.921 6.525 -4.365 1.00 0.00 C ATOM 1190 CZ TYR A 613 3.870 5.937 -3.691 1.00 0.00 C ATOM 1191 OH TYR A 613 4.065 5.432 -2.426 1.00 0.00 O ATOM 0 H TYR A 613 0.862 8.234 -8.448 1.00 0.00 H new ATOM 0 HA TYR A 613 2.922 9.408 -6.681 1.00 0.00 H new ATOM 0 HB2 TYR A 613 2.618 6.845 -8.190 1.00 0.00 H new ATOM 0 HB3 TYR A 613 4.224 7.545 -8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 613 1.463 6.296 -6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 613 5.546 7.492 -6.159 1.00 0.00 H new ATOM 0 HE1 TYR A 613 1.803 5.393 -3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 613 5.894 6.589 -3.902 1.00 0.00 H new ATOM 0 HH TYR A 613 4.406 6.140 -1.840 1.00 0.00 H new ATOM 1201 N ASP A 614 4.407 10.295 -8.568 1.00 0.00 N ATOM 1202 CA ASP A 614 5.044 11.113 -9.590 1.00 0.00 C ATOM 1203 C ASP A 614 6.288 10.426 -10.143 1.00 0.00 C ATOM 1204 O ASP A 614 7.396 10.954 -10.045 1.00 0.00 O ATOM 1205 CB ASP A 614 5.414 12.483 -9.020 1.00 0.00 C ATOM 1206 CG ASP A 614 4.195 13.286 -8.609 1.00 0.00 C ATOM 1207 OD1 ASP A 614 3.356 12.747 -7.857 1.00 0.00 O ATOM 1208 OD2 ASP A 614 4.083 14.453 -9.037 1.00 0.00 O ATOM 0 H ASP A 614 4.949 10.191 -7.710 1.00 0.00 H new ATOM 0 HA ASP A 614 4.334 11.247 -10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 614 6.066 12.350 -8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 614 5.980 13.043 -9.765 1.00 0.00 H new ATOM 1213 N ILE A 615 6.097 9.248 -10.727 1.00 0.00 N ATOM 1214 CA ILE A 615 7.204 8.493 -11.298 1.00 0.00 C ATOM 1215 C ILE A 615 6.936 8.171 -12.764 1.00 0.00 C ATOM 1216 O ILE A 615 5.795 7.931 -13.160 1.00 0.00 O ATOM 1217 CB ILE A 615 7.458 7.183 -10.515 1.00 0.00 C ATOM 1218 CG1 ILE A 615 8.321 6.210 -11.326 1.00 0.00 C ATOM 1219 CG2 ILE A 615 6.145 6.531 -10.114 1.00 0.00 C ATOM 1220 CD1 ILE A 615 9.796 6.517 -11.265 1.00 0.00 C ATOM 0 H ILE A 615 5.187 8.797 -10.817 1.00 0.00 H new ATOM 0 HA ILE A 615 8.095 9.116 -11.225 1.00 0.00 H new ATOM 0 HB ILE A 615 8.005 7.438 -9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 615 8.154 5.197 -10.960 1.00 0.00 H new ATOM 0 HG13 ILE A 615 7.997 6.230 -12.366 1.00 0.00 H new ATOM 0 HG21 ILE A 615 6.348 5.612 -9.565 1.00 0.00 H new ATOM 0 HG22 ILE A 615 5.578 7.214 -9.481 1.00 0.00 H new ATOM 0 HG23 ILE A 615 5.566 6.299 -11.008 1.00 0.00 H new ATOM 0 HD11 ILE A 615 10.344 5.788 -11.862 1.00 0.00 H new ATOM 0 HD12 ILE A 615 9.976 7.517 -11.659 1.00 0.00 H new ATOM 0 HD13 ILE A 615 10.135 6.468 -10.230 1.00 0.00 H new ATOM 1232 N LYS A 616 7.998 8.159 -13.562 1.00 0.00 N ATOM 1233 CA LYS A 616 7.880 7.855 -14.983 1.00 0.00 C ATOM 1234 C LYS A 616 7.677 6.360 -15.194 1.00 0.00 C ATOM 1235 O LYS A 616 8.407 5.540 -14.637 1.00 0.00 O ATOM 1236 CB LYS A 616 9.124 8.324 -15.737 1.00 0.00 C ATOM 1237 CG LYS A 616 9.202 9.833 -15.902 1.00 0.00 C ATOM 1238 CD LYS A 616 7.848 10.422 -16.266 1.00 0.00 C ATOM 1239 CE LYS A 616 7.987 11.823 -16.839 1.00 0.00 C ATOM 1240 NZ LYS A 616 7.175 12.816 -16.081 1.00 0.00 N ATOM 0 H LYS A 616 8.949 8.356 -13.250 1.00 0.00 H new ATOM 0 HA LYS A 616 7.012 8.386 -15.374 1.00 0.00 H new ATOM 0 HB2 LYS A 616 10.012 7.978 -15.207 1.00 0.00 H new ATOM 0 HB3 LYS A 616 9.139 7.858 -16.722 1.00 0.00 H new ATOM 0 HG2 LYS A 616 9.560 10.284 -14.976 1.00 0.00 H new ATOM 0 HG3 LYS A 616 9.928 10.079 -16.677 1.00 0.00 H new ATOM 0 HD2 LYS A 616 7.353 9.778 -16.993 1.00 0.00 H new ATOM 0 HD3 LYS A 616 7.213 10.451 -15.381 1.00 0.00 H new ATOM 0 HE2 LYS A 616 9.035 12.121 -16.820 1.00 0.00 H new ATOM 0 HE3 LYS A 616 7.675 11.821 -17.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 616 7.297 13.759 -16.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 616 6.171 12.546 -16.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 616 7.489 12.837 -15.090 1.00 0.00 H new ATOM 1254 N HIS A 617 6.681 6.011 -15.996 1.00 0.00 N ATOM 1255 CA HIS A 617 6.380 4.613 -16.276 1.00 0.00 C ATOM 1256 C HIS A 617 7.657 3.821 -16.538 1.00 0.00 C ATOM 1257 O HIS A 617 7.838 2.724 -16.011 1.00 0.00 O ATOM 1258 CB HIS A 617 5.441 4.503 -17.477 1.00 0.00 C ATOM 1259 CG HIS A 617 5.153 3.091 -17.877 1.00 0.00 C ATOM 1260 ND1 HIS A 617 5.860 2.428 -18.856 1.00 0.00 N ATOM 1261 CD2 HIS A 617 4.232 2.210 -17.417 1.00 0.00 C ATOM 1262 CE1 HIS A 617 5.387 1.201 -18.984 1.00 0.00 C ATOM 1263 NE2 HIS A 617 4.400 1.044 -18.123 1.00 0.00 N ATOM 0 H HIS A 617 6.067 6.677 -16.465 1.00 0.00 H new ATOM 0 HA HIS A 617 5.888 4.191 -15.399 1.00 0.00 H new ATOM 0 HB2 HIS A 617 4.502 5.005 -17.242 1.00 0.00 H new ATOM 0 HB3 HIS A 617 5.882 5.030 -18.323 1.00 0.00 H new ATOM 0 HD2 HIS A 617 3.503 2.391 -16.641 1.00 0.00 H new ATOM 0 HE1 HIS A 617 5.747 0.454 -19.676 1.00 0.00 H new ATOM 0 HE2 HIS A 617 3.850 0.194 -18.001 1.00 0.00 H new ATOM 1272 N SER A 618 8.539 4.383 -17.358 1.00 0.00 N ATOM 1273 CA SER A 618 9.798 3.726 -17.690 1.00 0.00 C ATOM 1274 C SER A 618 10.637 3.483 -16.440 1.00 0.00 C ATOM 1275 O SER A 618 11.531 2.637 -16.439 1.00 0.00 O ATOM 1276 CB SER A 618 10.588 4.571 -18.692 1.00 0.00 C ATOM 1277 OG SER A 618 9.978 5.836 -18.886 1.00 0.00 O ATOM 0 H SER A 618 8.406 5.290 -17.804 1.00 0.00 H new ATOM 0 HA SER A 618 9.565 2.761 -18.139 1.00 0.00 H new ATOM 0 HB2 SER A 618 11.608 4.707 -18.333 1.00 0.00 H new ATOM 0 HB3 SER A 618 10.653 4.045 -19.645 1.00 0.00 H new ATOM 0 HG SER A 618 10.503 6.357 -19.529 1.00 0.00 H new ATOM 1283 N ASP A 619 10.345 4.224 -15.377 1.00 0.00 N ATOM 1284 CA ASP A 619 11.076 4.079 -14.125 1.00 0.00 C ATOM 1285 C ASP A 619 10.290 3.221 -13.139 1.00 0.00 C ATOM 1286 O ASP A 619 10.870 2.545 -12.289 1.00 0.00 O ATOM 1287 CB ASP A 619 11.368 5.452 -13.517 1.00 0.00 C ATOM 1288 CG ASP A 619 12.347 6.256 -14.349 1.00 0.00 C ATOM 1289 OD1 ASP A 619 12.684 5.810 -15.467 1.00 0.00 O ATOM 1290 OD2 ASP A 619 12.778 7.332 -13.884 1.00 0.00 O ATOM 0 H ASP A 619 9.609 4.930 -15.358 1.00 0.00 H new ATOM 0 HA ASP A 619 12.022 3.581 -14.337 1.00 0.00 H new ATOM 0 HB2 ASP A 619 10.436 6.009 -13.419 1.00 0.00 H new ATOM 0 HB3 ASP A 619 11.770 5.323 -12.512 1.00 0.00 H new ATOM 1295 N LEU A 620 8.968 3.250 -13.266 1.00 0.00 N ATOM 1296 CA LEU A 620 8.090 2.471 -12.399 1.00 0.00 C ATOM 1297 C LEU A 620 8.739 1.141 -12.028 1.00 0.00 C ATOM 1298 O LEU A 620 9.074 0.900 -10.870 1.00 0.00 O ATOM 1299 CB LEU A 620 6.756 2.207 -13.106 1.00 0.00 C ATOM 1300 CG LEU A 620 5.578 3.123 -12.741 1.00 0.00 C ATOM 1301 CD1 LEU A 620 4.349 2.283 -12.452 1.00 0.00 C ATOM 1302 CD2 LEU A 620 5.893 4.019 -11.549 1.00 0.00 C ATOM 0 H LEU A 620 8.478 3.808 -13.965 1.00 0.00 H new ATOM 0 HA LEU A 620 7.914 3.043 -11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 620 6.922 2.281 -14.181 1.00 0.00 H new ATOM 0 HB3 LEU A 620 6.461 1.178 -12.899 1.00 0.00 H new ATOM 0 HG LEU A 620 5.389 3.775 -13.594 1.00 0.00 H new ATOM 0 HD11 LEU A 620 3.515 2.935 -12.193 1.00 0.00 H new ATOM 0 HD12 LEU A 620 4.092 1.698 -13.335 1.00 0.00 H new ATOM 0 HD13 LEU A 620 4.555 1.611 -11.619 1.00 0.00 H new ATOM 0 HD21 LEU A 620 5.031 4.648 -11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 620 6.123 3.402 -10.681 1.00 0.00 H new ATOM 0 HD23 LEU A 620 6.751 4.649 -11.784 1.00 0.00 H new ATOM 1314 N ALA A 621 8.910 0.284 -13.027 1.00 0.00 N ATOM 1315 CA ALA A 621 9.517 -1.028 -12.831 1.00 0.00 C ATOM 1316 C ALA A 621 10.709 -0.961 -11.874 1.00 0.00 C ATOM 1317 O ALA A 621 10.822 -1.763 -10.949 1.00 0.00 O ATOM 1318 CB ALA A 621 9.958 -1.590 -14.173 1.00 0.00 C ATOM 0 H ALA A 621 8.634 0.476 -13.990 1.00 0.00 H new ATOM 0 HA ALA A 621 8.770 -1.684 -12.383 1.00 0.00 H new ATOM 0 HB1 ALA A 621 10.411 -2.570 -14.026 1.00 0.00 H new ATOM 0 HB2 ALA A 621 9.093 -1.685 -14.830 1.00 0.00 H new ATOM 0 HB3 ALA A 621 10.686 -0.918 -14.627 1.00 0.00 H new ATOM 1324 N LYS A 622 11.600 -0.001 -12.109 1.00 0.00 N ATOM 1325 CA LYS A 622 12.789 0.162 -11.279 1.00 0.00 C ATOM 1326 C LYS A 622 12.419 0.616 -9.876 1.00 0.00 C ATOM 1327 O LYS A 622 13.231 0.540 -8.953 1.00 0.00 O ATOM 1328 CB LYS A 622 13.743 1.174 -11.916 1.00 0.00 C ATOM 1329 CG LYS A 622 14.782 0.539 -12.826 1.00 0.00 C ATOM 1330 CD LYS A 622 14.174 0.116 -14.153 1.00 0.00 C ATOM 1331 CE LYS A 622 13.640 1.309 -14.927 1.00 0.00 C ATOM 1332 NZ LYS A 622 14.706 2.310 -15.210 1.00 0.00 N ATOM 0 H LYS A 622 11.520 0.676 -12.868 1.00 0.00 H new ATOM 0 HA LYS A 622 13.285 -0.806 -11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 622 13.163 1.897 -12.489 1.00 0.00 H new ATOM 0 HB3 LYS A 622 14.252 1.728 -11.127 1.00 0.00 H new ATOM 0 HG2 LYS A 622 15.592 1.246 -13.004 1.00 0.00 H new ATOM 0 HG3 LYS A 622 15.219 -0.328 -12.332 1.00 0.00 H new ATOM 0 HD2 LYS A 622 14.926 -0.400 -14.751 1.00 0.00 H new ATOM 0 HD3 LYS A 622 13.366 -0.594 -13.974 1.00 0.00 H new ATOM 0 HE2 LYS A 622 13.205 0.967 -15.866 1.00 0.00 H new ATOM 0 HE3 LYS A 622 12.840 1.782 -14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 622 14.370 2.981 -15.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 622 14.938 2.826 -14.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 622 15.555 1.823 -15.561 1.00 0.00 H new ATOM 1346 N LYS A 623 11.192 1.090 -9.723 1.00 0.00 N ATOM 1347 CA LYS A 623 10.718 1.559 -8.431 1.00 0.00 C ATOM 1348 C LYS A 623 10.460 0.396 -7.484 1.00 0.00 C ATOM 1349 O LYS A 623 10.700 -0.763 -7.819 1.00 0.00 O ATOM 1350 CB LYS A 623 9.434 2.372 -8.591 1.00 0.00 C ATOM 1351 CG LYS A 623 9.550 3.519 -9.575 1.00 0.00 C ATOM 1352 CD LYS A 623 10.145 4.755 -8.923 1.00 0.00 C ATOM 1353 CE LYS A 623 11.541 5.042 -9.454 1.00 0.00 C ATOM 1354 NZ LYS A 623 12.583 4.855 -8.408 1.00 0.00 N ATOM 0 H LYS A 623 10.508 1.160 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 623 11.498 2.192 -8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 623 8.633 1.708 -8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 623 9.144 2.769 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 623 10.172 3.216 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 623 8.565 3.757 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 623 9.499 5.613 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 623 10.186 4.615 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 623 11.751 4.384 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 623 11.583 6.064 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 623 13.428 5.408 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 623 12.216 5.178 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 623 12.835 3.848 -8.345 1.00 0.00 H new ATOM 1368 N SER A 624 9.955 0.723 -6.303 1.00 0.00 N ATOM 1369 CA SER A 624 9.637 -0.274 -5.294 1.00 0.00 C ATOM 1370 C SER A 624 8.648 0.298 -4.289 1.00 0.00 C ATOM 1371 O SER A 624 9.010 1.108 -3.436 1.00 0.00 O ATOM 1372 CB SER A 624 10.903 -0.743 -4.581 1.00 0.00 C ATOM 1373 OG SER A 624 11.324 0.202 -3.611 1.00 0.00 O ATOM 0 H SER A 624 9.755 1.682 -6.019 1.00 0.00 H new ATOM 0 HA SER A 624 9.184 -1.134 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A 624 10.718 -1.704 -4.101 1.00 0.00 H new ATOM 0 HB3 SER A 624 11.698 -0.899 -5.310 1.00 0.00 H new ATOM 0 HG SER A 624 10.748 0.994 -3.654 1.00 0.00 H new ATOM 1379 N LEU A 625 7.397 -0.121 -4.405 1.00 0.00 N ATOM 1380 CA LEU A 625 6.346 0.356 -3.517 1.00 0.00 C ATOM 1381 C LEU A 625 6.396 -0.366 -2.177 1.00 0.00 C ATOM 1382 O LEU A 625 6.807 -1.523 -2.098 1.00 0.00 O ATOM 1383 CB LEU A 625 4.976 0.161 -4.168 1.00 0.00 C ATOM 1384 CG LEU A 625 3.825 0.907 -3.493 1.00 0.00 C ATOM 1385 CD1 LEU A 625 4.070 2.408 -3.525 1.00 0.00 C ATOM 1386 CD2 LEU A 625 2.504 0.566 -4.167 1.00 0.00 C ATOM 0 H LEU A 625 7.084 -0.792 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 625 6.508 1.419 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 625 5.036 0.482 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 625 4.743 -0.904 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 625 3.772 0.591 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 625 3.240 2.922 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 625 4.996 2.637 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 625 4.149 2.742 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 625 1.695 1.105 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 625 2.546 0.855 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 625 2.324 -0.506 -4.092 1.00 0.00 H new ATOM 1398 N ASP A 626 5.982 0.328 -1.124 1.00 0.00 N ATOM 1399 CA ASP A 626 5.984 -0.241 0.214 1.00 0.00 C ATOM 1400 C ASP A 626 4.655 0.016 0.915 1.00 0.00 C ATOM 1401 O ASP A 626 4.443 1.083 1.491 1.00 0.00 O ATOM 1402 CB ASP A 626 7.129 0.350 1.033 1.00 0.00 C ATOM 1403 CG ASP A 626 7.019 0.020 2.508 1.00 0.00 C ATOM 1404 OD1 ASP A 626 6.243 0.698 3.213 1.00 0.00 O ATOM 1405 OD2 ASP A 626 7.710 -0.918 2.959 1.00 0.00 O ATOM 0 H ASP A 626 5.640 1.288 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 626 6.124 -1.318 0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 626 8.077 -0.026 0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 626 7.141 1.433 0.906 1.00 0.00 H new ATOM 1410 N ILE A 627 3.765 -0.970 0.867 1.00 0.00 N ATOM 1411 CA ILE A 627 2.460 -0.850 1.504 1.00 0.00 C ATOM 1412 C ILE A 627 2.504 -1.399 2.923 1.00 0.00 C ATOM 1413 O ILE A 627 2.425 -2.609 3.135 1.00 0.00 O ATOM 1414 CB ILE A 627 1.371 -1.599 0.713 1.00 0.00 C ATOM 1415 CG1 ILE A 627 1.295 -1.070 -0.722 1.00 0.00 C ATOM 1416 CG2 ILE A 627 0.024 -1.459 1.406 1.00 0.00 C ATOM 1417 CD1 ILE A 627 1.678 -2.097 -1.765 1.00 0.00 C ATOM 0 H ILE A 627 3.924 -1.860 0.394 1.00 0.00 H new ATOM 0 HA ILE A 627 2.212 0.211 1.525 1.00 0.00 H new ATOM 0 HB ILE A 627 1.632 -2.657 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 627 0.281 -0.724 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 627 1.951 -0.205 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -0.736 -1.993 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 627 0.086 -1.879 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -0.245 -0.405 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 627 1.601 -1.653 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 627 2.703 -2.426 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 627 1.006 -2.953 -1.697 1.00 0.00 H new ATOM 1429 N SER A 628 2.645 -0.504 3.895 1.00 0.00 N ATOM 1430 CA SER A 628 2.713 -0.909 5.294 1.00 0.00 C ATOM 1431 C SER A 628 1.505 -0.416 6.081 1.00 0.00 C ATOM 1432 O SER A 628 1.158 0.764 6.037 1.00 0.00 O ATOM 1433 CB SER A 628 3.998 -0.386 5.937 1.00 0.00 C ATOM 1434 OG SER A 628 5.140 -0.814 5.216 1.00 0.00 O ATOM 0 H SER A 628 2.714 0.502 3.741 1.00 0.00 H new ATOM 0 HA SER A 628 2.712 -1.999 5.320 1.00 0.00 H new ATOM 0 HB2 SER A 628 3.973 0.703 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 628 4.062 -0.737 6.967 1.00 0.00 H new ATOM 0 HG SER A 628 5.367 -0.146 4.536 1.00 0.00 H new ATOM 1440 N VAL A 629 0.881 -1.332 6.811 1.00 0.00 N ATOM 1441 CA VAL A 629 -0.279 -1.004 7.625 1.00 0.00 C ATOM 1442 C VAL A 629 0.135 -0.803 9.079 1.00 0.00 C ATOM 1443 O VAL A 629 0.694 -1.705 9.703 1.00 0.00 O ATOM 1444 CB VAL A 629 -1.346 -2.110 7.554 1.00 0.00 C ATOM 1445 CG1 VAL A 629 -2.647 -1.642 8.189 1.00 0.00 C ATOM 1446 CG2 VAL A 629 -1.568 -2.542 6.112 1.00 0.00 C ATOM 0 H VAL A 629 1.162 -2.312 6.855 1.00 0.00 H new ATOM 0 HA VAL A 629 -0.705 -0.082 7.230 1.00 0.00 H new ATOM 0 HB VAL A 629 -0.989 -2.973 8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -3.389 -2.439 8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 629 -2.471 -1.389 9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -3.015 -0.763 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.326 -3.325 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -1.903 -1.688 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -0.634 -2.923 5.699 1.00 0.00 H new ATOM 1456 N TRP A 630 -0.130 0.383 9.611 1.00 0.00 N ATOM 1457 CA TRP A 630 0.232 0.696 10.986 1.00 0.00 C ATOM 1458 C TRP A 630 -1.005 1.003 11.822 1.00 0.00 C ATOM 1459 O TRP A 630 -1.994 1.527 11.313 1.00 0.00 O ATOM 1460 CB TRP A 630 1.183 1.892 11.015 1.00 0.00 C ATOM 1461 CG TRP A 630 2.464 1.656 10.275 1.00 0.00 C ATOM 1462 CD1 TRP A 630 2.617 1.523 8.925 1.00 0.00 C ATOM 1463 CD2 TRP A 630 3.773 1.528 10.843 1.00 0.00 C ATOM 1464 NE1 TRP A 630 3.940 1.320 8.619 1.00 0.00 N ATOM 1465 CE2 TRP A 630 4.671 1.319 9.778 1.00 0.00 C ATOM 1466 CE3 TRP A 630 4.274 1.571 12.147 1.00 0.00 C ATOM 1467 CZ2 TRP A 630 6.038 1.152 9.979 1.00 0.00 C ATOM 1468 CZ3 TRP A 630 5.633 1.405 12.344 1.00 0.00 C ATOM 1469 CH2 TRP A 630 6.500 1.199 11.265 1.00 0.00 C ATOM 0 H TRP A 630 -0.593 1.142 9.112 1.00 0.00 H new ATOM 0 HA TRP A 630 0.728 -0.175 11.413 1.00 0.00 H new ATOM 0 HB2 TRP A 630 0.679 2.757 10.585 1.00 0.00 H new ATOM 0 HB3 TRP A 630 1.412 2.139 12.052 1.00 0.00 H new ATOM 0 HD1 TRP A 630 1.815 1.570 8.203 1.00 0.00 H new ATOM 0 HE1 TRP A 630 4.318 1.191 7.680 1.00 0.00 H new ATOM 0 HE3 TRP A 630 3.612 1.731 12.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 630 6.710 0.991 9.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 630 6.032 1.435 13.347 1.00 0.00 H new ATOM 0 HH2 TRP A 630 7.556 1.075 11.452 1.00 0.00 H new ATOM 1480 N ASP A 631 -0.938 0.684 13.111 1.00 0.00 N ATOM 1481 CA ASP A 631 -2.054 0.941 14.012 1.00 0.00 C ATOM 1482 C ASP A 631 -1.958 2.350 14.585 1.00 0.00 C ATOM 1483 O ASP A 631 -0.878 2.815 14.950 1.00 0.00 O ATOM 1484 CB ASP A 631 -2.089 -0.092 15.144 1.00 0.00 C ATOM 1485 CG ASP A 631 -2.819 0.413 16.376 1.00 0.00 C ATOM 1486 OD1 ASP A 631 -2.179 1.088 17.211 1.00 0.00 O ATOM 1487 OD2 ASP A 631 -4.029 0.132 16.508 1.00 0.00 O ATOM 0 H ASP A 631 -0.127 0.250 13.552 1.00 0.00 H new ATOM 0 HA ASP A 631 -2.979 0.856 13.442 1.00 0.00 H new ATOM 0 HB2 ASP A 631 -2.574 -1.000 14.786 1.00 0.00 H new ATOM 0 HB3 ASP A 631 -1.068 -0.361 15.416 1.00 0.00 H new ATOM 1492 N TYR A 632 -3.097 3.025 14.651 1.00 0.00 N ATOM 1493 CA TYR A 632 -3.155 4.382 15.168 1.00 0.00 C ATOM 1494 C TYR A 632 -3.413 4.389 16.671 1.00 0.00 C ATOM 1495 O TYR A 632 -3.827 3.382 17.247 1.00 0.00 O ATOM 1496 CB TYR A 632 -4.253 5.158 14.447 1.00 0.00 C ATOM 1497 CG TYR A 632 -4.488 6.538 15.006 1.00 0.00 C ATOM 1498 CD1 TYR A 632 -5.257 6.723 16.146 1.00 0.00 C ATOM 1499 CD2 TYR A 632 -3.941 7.655 14.393 1.00 0.00 C ATOM 1500 CE1 TYR A 632 -5.474 7.988 16.661 1.00 0.00 C ATOM 1501 CE2 TYR A 632 -4.152 8.922 14.899 1.00 0.00 C ATOM 1502 CZ TYR A 632 -4.920 9.083 16.033 1.00 0.00 C ATOM 1503 OH TYR A 632 -5.133 10.344 16.542 1.00 0.00 O ATOM 0 H TYR A 632 -3.997 2.651 14.351 1.00 0.00 H new ATOM 0 HA TYR A 632 -2.191 4.859 14.990 1.00 0.00 H new ATOM 0 HB2 TYR A 632 -3.993 5.243 13.392 1.00 0.00 H new ATOM 0 HB3 TYR A 632 -5.182 4.591 14.502 1.00 0.00 H new ATOM 0 HD1 TYR A 632 -5.693 5.866 16.639 1.00 0.00 H new ATOM 0 HD2 TYR A 632 -3.340 7.532 13.504 1.00 0.00 H new ATOM 0 HE1 TYR A 632 -6.074 8.117 17.550 1.00 0.00 H new ATOM 0 HE2 TYR A 632 -3.718 9.782 14.410 1.00 0.00 H new ATOM 0 HH TYR A 632 -4.673 11.004 15.983 1.00 0.00 H new ATOM 1513 N ASP A 633 -3.170 5.534 17.299 1.00 0.00 N ATOM 1514 CA ASP A 633 -3.378 5.681 18.734 1.00 0.00 C ATOM 1515 C ASP A 633 -3.558 7.149 19.106 1.00 0.00 C ATOM 1516 O ASP A 633 -2.777 8.004 18.689 1.00 0.00 O ATOM 1517 CB ASP A 633 -2.198 5.086 19.506 1.00 0.00 C ATOM 1518 CG ASP A 633 -2.373 3.605 19.777 1.00 0.00 C ATOM 1519 OD1 ASP A 633 -1.955 2.793 18.924 1.00 0.00 O ATOM 1520 OD2 ASP A 633 -2.925 3.257 20.841 1.00 0.00 O ATOM 0 H ASP A 633 -2.828 6.376 16.835 1.00 0.00 H new ATOM 0 HA ASP A 633 -4.286 5.141 19.004 1.00 0.00 H new ATOM 0 HB2 ASP A 633 -1.280 5.243 18.939 1.00 0.00 H new ATOM 0 HB3 ASP A 633 -2.083 5.615 20.452 1.00 0.00 H new ATOM 1525 N ILE A 634 -4.590 7.435 19.893 1.00 0.00 N ATOM 1526 CA ILE A 634 -4.866 8.805 20.319 1.00 0.00 C ATOM 1527 C ILE A 634 -4.073 9.159 21.571 1.00 0.00 C ATOM 1528 O ILE A 634 -4.154 8.468 22.587 1.00 0.00 O ATOM 1529 CB ILE A 634 -6.367 9.046 20.594 1.00 0.00 C ATOM 1530 CG1 ILE A 634 -7.087 7.733 20.918 1.00 0.00 C ATOM 1531 CG2 ILE A 634 -7.019 9.739 19.407 1.00 0.00 C ATOM 1532 CD1 ILE A 634 -7.458 6.918 19.697 1.00 0.00 C ATOM 0 H ILE A 634 -5.247 6.741 20.248 1.00 0.00 H new ATOM 0 HA ILE A 634 -4.560 9.446 19.492 1.00 0.00 H new ATOM 0 HB ILE A 634 -6.452 9.696 21.465 1.00 0.00 H new ATOM 0 HG12 ILE A 634 -6.449 7.130 21.565 1.00 0.00 H new ATOM 0 HG13 ILE A 634 -7.992 7.956 21.482 1.00 0.00 H new ATOM 0 HG21 ILE A 634 -8.076 9.902 19.616 1.00 0.00 H new ATOM 0 HG22 ILE A 634 -6.532 10.698 19.233 1.00 0.00 H new ATOM 0 HG23 ILE A 634 -6.917 9.114 18.520 1.00 0.00 H new ATOM 0 HD11 ILE A 634 -7.964 6.004 20.009 1.00 0.00 H new ATOM 0 HD12 ILE A 634 -8.123 7.501 19.059 1.00 0.00 H new ATOM 0 HD13 ILE A 634 -6.555 6.662 19.143 1.00 0.00 H new ATOM 1544 N GLY A 635 -3.306 10.242 21.492 1.00 0.00 N ATOM 1545 CA GLY A 635 -2.508 10.672 22.626 1.00 0.00 C ATOM 1546 C GLY A 635 -1.165 9.973 22.689 1.00 0.00 C ATOM 1547 O GLY A 635 -0.302 10.344 23.486 1.00 0.00 O ATOM 0 H GLY A 635 -3.223 10.830 20.663 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -2.351 11.749 22.568 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -3.058 10.479 23.547 1.00 0.00 H new ATOM 1551 N LYS A 636 -0.986 8.959 21.849 1.00 0.00 N ATOM 1552 CA LYS A 636 0.262 8.206 21.813 1.00 0.00 C ATOM 1553 C LYS A 636 0.794 8.099 20.387 1.00 0.00 C ATOM 1554 O LYS A 636 0.302 8.768 19.479 1.00 0.00 O ATOM 1555 CB LYS A 636 0.056 6.807 22.398 1.00 0.00 C ATOM 1556 CG LYS A 636 -1.112 6.720 23.367 1.00 0.00 C ATOM 1557 CD LYS A 636 -0.834 5.727 24.484 1.00 0.00 C ATOM 1558 CE LYS A 636 -2.110 5.049 24.956 1.00 0.00 C ATOM 1559 NZ LYS A 636 -2.986 5.981 25.717 1.00 0.00 N ATOM 0 H LYS A 636 -1.690 8.640 21.184 1.00 0.00 H new ATOM 0 HA LYS A 636 0.996 8.741 22.416 1.00 0.00 H new ATOM 0 HB2 LYS A 636 -0.105 6.101 21.583 1.00 0.00 H new ATOM 0 HB3 LYS A 636 0.967 6.499 22.911 1.00 0.00 H new ATOM 0 HG2 LYS A 636 -1.307 7.704 23.793 1.00 0.00 H new ATOM 0 HG3 LYS A 636 -2.012 6.422 22.829 1.00 0.00 H new ATOM 0 HD2 LYS A 636 -0.128 4.974 24.135 1.00 0.00 H new ATOM 0 HD3 LYS A 636 -0.363 6.242 25.321 1.00 0.00 H new ATOM 0 HE2 LYS A 636 -2.654 4.661 24.095 1.00 0.00 H new ATOM 0 HE3 LYS A 636 -1.856 4.195 25.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 636 -3.845 5.480 26.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 636 -2.476 6.332 26.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 636 -3.250 6.783 25.110 1.00 0.00 H new ATOM 1573 N SER A 637 1.799 7.250 20.199 1.00 0.00 N ATOM 1574 CA SER A 637 2.397 7.053 18.884 1.00 0.00 C ATOM 1575 C SER A 637 1.818 5.816 18.206 1.00 0.00 C ATOM 1576 O SER A 637 1.526 4.816 18.861 1.00 0.00 O ATOM 1577 CB SER A 637 3.915 6.917 19.005 1.00 0.00 C ATOM 1578 OG SER A 637 4.283 5.599 19.371 1.00 0.00 O ATOM 0 H SER A 637 2.216 6.688 20.941 1.00 0.00 H new ATOM 0 HA SER A 637 2.166 7.925 18.272 1.00 0.00 H new ATOM 0 HB2 SER A 637 4.383 7.178 18.056 1.00 0.00 H new ATOM 0 HB3 SER A 637 4.288 7.621 19.749 1.00 0.00 H new ATOM 0 HG SER A 637 5.259 5.539 19.440 1.00 0.00 H new ATOM 1584 N ASN A 638 1.654 5.890 16.889 1.00 0.00 N ATOM 1585 CA ASN A 638 1.109 4.774 16.124 1.00 0.00 C ATOM 1586 C ASN A 638 1.880 3.490 16.412 1.00 0.00 C ATOM 1587 O ASN A 638 2.729 3.451 17.303 1.00 0.00 O ATOM 1588 CB ASN A 638 1.151 5.085 14.627 1.00 0.00 C ATOM 1589 CG ASN A 638 2.334 5.954 14.249 1.00 0.00 C ATOM 1590 OD1 ASN A 638 2.176 6.996 13.613 1.00 0.00 O ATOM 1591 ND2 ASN A 638 3.529 5.529 14.640 1.00 0.00 N ATOM 0 H ASN A 638 1.890 6.710 16.330 1.00 0.00 H new ATOM 0 HA ASN A 638 0.072 4.629 16.428 1.00 0.00 H new ATOM 0 HB2 ASN A 638 1.196 4.151 14.066 1.00 0.00 H new ATOM 0 HB3 ASN A 638 0.228 5.587 14.337 1.00 0.00 H new ATOM 0 HD21 ASN A 638 4.362 6.072 14.415 1.00 0.00 H new ATOM 0 HD22 ASN A 638 3.614 4.659 15.166 1.00 0.00 H new ATOM 1598 N ASP A 639 1.580 2.442 15.652 1.00 0.00 N ATOM 1599 CA ASP A 639 2.246 1.156 15.826 1.00 0.00 C ATOM 1600 C ASP A 639 2.321 0.402 14.503 1.00 0.00 C ATOM 1601 O ASP A 639 1.528 0.643 13.593 1.00 0.00 O ATOM 1602 CB ASP A 639 1.509 0.312 16.867 1.00 0.00 C ATOM 1603 CG ASP A 639 1.675 0.851 18.274 1.00 0.00 C ATOM 1604 OD1 ASP A 639 1.143 1.945 18.558 1.00 0.00 O ATOM 1605 OD2 ASP A 639 2.339 0.180 19.092 1.00 0.00 O ATOM 0 H ASP A 639 0.880 2.458 14.910 1.00 0.00 H new ATOM 0 HA ASP A 639 3.261 1.344 16.176 1.00 0.00 H new ATOM 0 HB2 ASP A 639 0.449 0.277 16.617 1.00 0.00 H new ATOM 0 HB3 ASP A 639 1.879 -0.712 16.828 1.00 0.00 H new ATOM 1610 N TYR A 640 3.280 -0.512 14.402 1.00 0.00 N ATOM 1611 CA TYR A 640 3.457 -1.301 13.188 1.00 0.00 C ATOM 1612 C TYR A 640 2.709 -2.626 13.282 1.00 0.00 C ATOM 1613 O TYR A 640 2.998 -3.454 14.146 1.00 0.00 O ATOM 1614 CB TYR A 640 4.943 -1.563 12.936 1.00 0.00 C ATOM 1615 CG TYR A 640 5.281 -1.773 11.477 1.00 0.00 C ATOM 1616 CD1 TYR A 640 4.283 -2.004 10.539 1.00 0.00 C ATOM 1617 CD2 TYR A 640 6.599 -1.745 11.039 1.00 0.00 C ATOM 1618 CE1 TYR A 640 4.588 -2.198 9.204 1.00 0.00 C ATOM 1619 CE2 TYR A 640 6.913 -1.938 9.708 1.00 0.00 C ATOM 1620 CZ TYR A 640 5.904 -2.165 8.795 1.00 0.00 C ATOM 1621 OH TYR A 640 6.214 -2.358 7.469 1.00 0.00 O ATOM 0 H TYR A 640 3.946 -0.725 15.145 1.00 0.00 H new ATOM 0 HA TYR A 640 3.046 -0.730 12.355 1.00 0.00 H new ATOM 0 HB2 TYR A 640 5.522 -0.721 13.317 1.00 0.00 H new ATOM 0 HB3 TYR A 640 5.249 -2.443 13.502 1.00 0.00 H new ATOM 0 HD1 TYR A 640 3.251 -2.033 10.857 1.00 0.00 H new ATOM 0 HD2 TYR A 640 7.392 -1.569 11.751 1.00 0.00 H new ATOM 0 HE1 TYR A 640 3.800 -2.374 8.487 1.00 0.00 H new ATOM 0 HE2 TYR A 640 7.943 -1.911 9.384 1.00 0.00 H new ATOM 0 HH TYR A 640 7.185 -2.303 7.349 1.00 0.00 H new ATOM 1631 N ILE A 641 1.751 -2.824 12.383 1.00 0.00 N ATOM 1632 CA ILE A 641 0.967 -4.051 12.360 1.00 0.00 C ATOM 1633 C ILE A 641 1.519 -5.031 11.332 1.00 0.00 C ATOM 1634 O ILE A 641 1.662 -6.222 11.608 1.00 0.00 O ATOM 1635 CB ILE A 641 -0.513 -3.771 12.039 1.00 0.00 C ATOM 1636 CG1 ILE A 641 -1.170 -2.997 13.182 1.00 0.00 C ATOM 1637 CG2 ILE A 641 -1.255 -5.073 11.780 1.00 0.00 C ATOM 1638 CD1 ILE A 641 -2.471 -2.333 12.788 1.00 0.00 C ATOM 0 H ILE A 641 1.499 -2.149 11.661 1.00 0.00 H new ATOM 0 HA ILE A 641 1.036 -4.489 13.356 1.00 0.00 H new ATOM 0 HB ILE A 641 -0.563 -3.161 11.137 1.00 0.00 H new ATOM 0 HG12 ILE A 641 -1.355 -3.678 14.013 1.00 0.00 H new ATOM 0 HG13 ILE A 641 -0.477 -2.237 13.542 1.00 0.00 H new ATOM 0 HG21 ILE A 641 -2.300 -4.858 11.555 1.00 0.00 H new ATOM 0 HG22 ILE A 641 -0.800 -5.589 10.934 1.00 0.00 H new ATOM 0 HG23 ILE A 641 -1.198 -5.707 12.665 1.00 0.00 H new ATOM 0 HD11 ILE A 641 -2.883 -1.802 13.646 1.00 0.00 H new ATOM 0 HD12 ILE A 641 -2.288 -1.627 11.978 1.00 0.00 H new ATOM 0 HD13 ILE A 641 -3.180 -3.091 12.456 1.00 0.00 H new ATOM 1650 N GLY A 642 1.831 -4.520 10.145 1.00 0.00 N ATOM 1651 CA GLY A 642 2.366 -5.364 9.094 1.00 0.00 C ATOM 1652 C GLY A 642 2.224 -4.739 7.723 1.00 0.00 C ATOM 1653 O GLY A 642 1.399 -3.847 7.521 1.00 0.00 O ATOM 0 H GLY A 642 1.723 -3.538 9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 642 3.419 -5.563 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 642 1.852 -6.325 9.107 1.00 0.00 H new ATOM 1657 N GLY A 643 3.033 -5.204 6.778 1.00 0.00 N ATOM 1658 CA GLY A 643 2.978 -4.670 5.430 1.00 0.00 C ATOM 1659 C GLY A 643 3.733 -5.522 4.430 1.00 0.00 C ATOM 1660 O GLY A 643 4.044 -6.682 4.699 1.00 0.00 O ATOM 0 H GLY A 643 3.725 -5.940 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 643 1.937 -4.589 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 643 3.391 -3.661 5.426 1.00 0.00 H new ATOM 1664 N CYS A 644 4.028 -4.943 3.271 1.00 0.00 N ATOM 1665 CA CYS A 644 4.751 -5.651 2.222 1.00 0.00 C ATOM 1666 C CYS A 644 5.334 -4.667 1.214 1.00 0.00 C ATOM 1667 O CYS A 644 4.965 -3.493 1.195 1.00 0.00 O ATOM 1668 CB CYS A 644 3.824 -6.639 1.512 1.00 0.00 C ATOM 1669 SG CYS A 644 4.436 -8.341 1.492 1.00 0.00 S ATOM 0 H CYS A 644 3.777 -3.983 3.034 1.00 0.00 H new ATOM 0 HA CYS A 644 5.570 -6.203 2.683 1.00 0.00 H new ATOM 0 HB2 CYS A 644 2.849 -6.620 1.999 1.00 0.00 H new ATOM 0 HB3 CYS A 644 3.674 -6.306 0.485 1.00 0.00 H new ATOM 0 HG CYS A 644 3.583 -9.102 0.872 1.00 0.00 H new ATOM 1675 N GLN A 645 6.244 -5.151 0.376 1.00 0.00 N ATOM 1676 CA GLN A 645 6.873 -4.310 -0.634 1.00 0.00 C ATOM 1677 C GLN A 645 6.457 -4.742 -2.034 1.00 0.00 C ATOM 1678 O GLN A 645 6.446 -5.933 -2.350 1.00 0.00 O ATOM 1679 CB GLN A 645 8.395 -4.362 -0.503 1.00 0.00 C ATOM 1680 CG GLN A 645 8.963 -3.284 0.406 1.00 0.00 C ATOM 1681 CD GLN A 645 10.376 -3.592 0.861 1.00 0.00 C ATOM 1682 OE1 GLN A 645 10.586 -4.376 1.786 1.00 0.00 O ATOM 1683 NE2 GLN A 645 11.356 -2.974 0.211 1.00 0.00 N ATOM 0 H GLN A 645 6.562 -6.120 0.376 1.00 0.00 H new ATOM 0 HA GLN A 645 6.540 -3.285 -0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 645 8.685 -5.340 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 645 8.840 -4.263 -1.493 1.00 0.00 H new ATOM 0 HG2 GLN A 645 8.954 -2.329 -0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 645 8.320 -3.174 1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 645 11.137 -2.331 -0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 645 12.327 -3.142 0.473 1.00 0.00 H new ATOM 1692 N LEU A 646 6.112 -3.769 -2.868 1.00 0.00 N ATOM 1693 CA LEU A 646 5.691 -4.048 -4.234 1.00 0.00 C ATOM 1694 C LEU A 646 6.638 -3.414 -5.246 1.00 0.00 C ATOM 1695 O LEU A 646 6.536 -2.226 -5.553 1.00 0.00 O ATOM 1696 CB LEU A 646 4.266 -3.545 -4.461 1.00 0.00 C ATOM 1697 CG LEU A 646 3.166 -4.524 -4.051 1.00 0.00 C ATOM 1698 CD1 LEU A 646 1.827 -4.098 -4.636 1.00 0.00 C ATOM 1699 CD2 LEU A 646 3.521 -5.935 -4.495 1.00 0.00 C ATOM 0 H LEU A 646 6.116 -2.779 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 646 5.716 -5.128 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 646 4.131 -2.616 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 646 4.144 -3.306 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 646 3.082 -4.516 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 646 1.056 -4.807 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 646 1.570 -3.104 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 646 1.895 -4.078 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 646 2.728 -6.621 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 646 3.631 -5.958 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 646 4.458 -6.238 -4.028 1.00 0.00 H new ATOM 1711 N GLY A 647 7.554 -4.223 -5.767 1.00 0.00 N ATOM 1712 CA GLY A 647 8.507 -3.743 -6.749 1.00 0.00 C ATOM 1713 C GLY A 647 8.767 -4.777 -7.822 1.00 0.00 C ATOM 1714 O GLY A 647 8.771 -5.977 -7.546 1.00 0.00 O ATOM 0 H GLY A 647 7.653 -5.209 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 647 8.129 -2.829 -7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 647 9.444 -3.488 -6.254 1.00 0.00 H new ATOM 1718 N ILE A 648 8.970 -4.323 -9.053 1.00 0.00 N ATOM 1719 CA ILE A 648 9.210 -5.224 -10.155 1.00 0.00 C ATOM 1720 C ILE A 648 10.437 -6.101 -9.909 1.00 0.00 C ATOM 1721 O ILE A 648 10.647 -7.100 -10.596 1.00 0.00 O ATOM 1722 CB ILE A 648 9.351 -4.443 -11.473 1.00 0.00 C ATOM 1723 CG1 ILE A 648 8.666 -5.197 -12.596 1.00 0.00 C ATOM 1724 CG2 ILE A 648 10.805 -4.162 -11.811 1.00 0.00 C ATOM 1725 CD1 ILE A 648 8.978 -4.657 -13.970 1.00 0.00 C ATOM 0 H ILE A 648 8.972 -3.335 -9.305 1.00 0.00 H new ATOM 0 HA ILE A 648 8.347 -5.885 -10.235 1.00 0.00 H new ATOM 0 HB ILE A 648 8.863 -3.476 -11.347 1.00 0.00 H new ATOM 0 HG12 ILE A 648 8.963 -6.245 -12.552 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.588 -5.164 -12.439 1.00 0.00 H new ATOM 0 HG21 ILE A 648 10.860 -3.609 -12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 648 11.256 -3.571 -11.014 1.00 0.00 H new ATOM 0 HG23 ILE A 648 11.343 -5.104 -11.913 1.00 0.00 H new ATOM 0 HD11 ILE A 648 8.452 -5.247 -14.721 1.00 0.00 H new ATOM 0 HD12 ILE A 648 8.656 -3.618 -14.034 1.00 0.00 H new ATOM 0 HD13 ILE A 648 10.052 -4.716 -14.149 1.00 0.00 H new ATOM 1737 N SER A 649 11.235 -5.731 -8.915 1.00 0.00 N ATOM 1738 CA SER A 649 12.424 -6.500 -8.572 1.00 0.00 C ATOM 1739 C SER A 649 12.059 -7.636 -7.620 1.00 0.00 C ATOM 1740 O SER A 649 12.932 -8.271 -7.028 1.00 0.00 O ATOM 1741 CB SER A 649 13.479 -5.595 -7.932 1.00 0.00 C ATOM 1742 OG SER A 649 14.782 -6.118 -8.121 1.00 0.00 O ATOM 0 H SER A 649 11.081 -4.907 -8.334 1.00 0.00 H new ATOM 0 HA SER A 649 12.839 -6.925 -9.486 1.00 0.00 H new ATOM 0 HB2 SER A 649 13.418 -4.597 -8.366 1.00 0.00 H new ATOM 0 HB3 SER A 649 13.276 -5.492 -6.866 1.00 0.00 H new ATOM 0 HG SER A 649 14.794 -7.065 -7.870 1.00 0.00 H new ATOM 1748 N ALA A 650 10.758 -7.881 -7.480 1.00 0.00 N ATOM 1749 CA ALA A 650 10.258 -8.932 -6.604 1.00 0.00 C ATOM 1750 C ALA A 650 10.104 -10.248 -7.356 1.00 0.00 C ATOM 1751 O ALA A 650 10.347 -10.320 -8.560 1.00 0.00 O ATOM 1752 CB ALA A 650 8.923 -8.515 -6.004 1.00 0.00 C ATOM 0 H ALA A 650 10.028 -7.360 -7.967 1.00 0.00 H new ATOM 0 HA ALA A 650 10.983 -9.082 -5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 650 8.555 -9.306 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 650 9.053 -7.599 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 650 8.203 -8.341 -6.804 1.00 0.00 H new ATOM 1802 N ARG A 654 4.056 -10.504 -5.959 1.00 0.00 N ATOM 1803 CA ARG A 654 4.096 -9.048 -5.953 1.00 0.00 C ATOM 1804 C ARG A 654 4.446 -8.503 -7.332 1.00 0.00 C ATOM 1805 O ARG A 654 3.844 -7.537 -7.797 1.00 0.00 O ATOM 1806 CB ARG A 654 5.102 -8.550 -4.919 1.00 0.00 C ATOM 1807 CG ARG A 654 4.681 -8.825 -3.486 1.00 0.00 C ATOM 1808 CD ARG A 654 5.887 -8.998 -2.586 1.00 0.00 C ATOM 1809 NE ARG A 654 6.001 -10.361 -2.075 1.00 0.00 N ATOM 1810 CZ ARG A 654 7.060 -10.811 -1.408 1.00 0.00 C ATOM 1811 NH1 ARG A 654 8.087 -10.006 -1.171 1.00 0.00 N ATOM 1812 NH2 ARG A 654 7.092 -12.064 -0.978 1.00 0.00 N ATOM 0 HA ARG A 654 3.104 -8.684 -5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 654 6.066 -9.024 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 654 5.244 -7.477 -5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 654 4.066 -8.003 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 654 4.065 -9.724 -3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 654 6.791 -8.742 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 654 5.817 -8.303 -1.750 1.00 0.00 H new ATOM 0 HE ARG A 654 5.226 -11.003 -2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 654 8.065 -9.041 -1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 654 8.899 -10.352 -0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 654 6.303 -12.685 -1.158 1.00 0.00 H new ATOM 0 HH22 ARG A 654 7.905 -12.407 -0.467 1.00 0.00 H new ATOM 1826 N LEU A 655 5.419 -9.129 -7.984 1.00 0.00 N ATOM 1827 CA LEU A 655 5.835 -8.697 -9.313 1.00 0.00 C ATOM 1828 C LEU A 655 4.651 -8.700 -10.269 1.00 0.00 C ATOM 1829 O LEU A 655 4.452 -7.756 -11.032 1.00 0.00 O ATOM 1830 CB LEU A 655 6.939 -9.602 -9.863 1.00 0.00 C ATOM 1831 CG LEU A 655 7.459 -9.202 -11.245 1.00 0.00 C ATOM 1832 CD1 LEU A 655 8.297 -7.939 -11.146 1.00 0.00 C ATOM 1833 CD2 LEU A 655 8.268 -10.330 -11.866 1.00 0.00 C ATOM 0 H LEU A 655 5.931 -9.931 -7.618 1.00 0.00 H new ATOM 0 HA LEU A 655 6.224 -7.683 -9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 655 7.773 -9.603 -9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 655 6.563 -10.624 -9.912 1.00 0.00 H new ATOM 0 HG LEU A 655 6.603 -9.004 -11.890 1.00 0.00 H new ATOM 0 HD11 LEU A 655 8.661 -7.665 -12.136 1.00 0.00 H new ATOM 0 HD12 LEU A 655 7.688 -7.128 -10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 655 9.145 -8.116 -10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 655 8.627 -10.022 -12.848 1.00 0.00 H new ATOM 0 HD22 LEU A 655 9.118 -10.563 -11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 655 7.639 -11.214 -11.970 1.00 0.00 H new ATOM 1845 N LYS A 656 3.868 -9.770 -10.220 1.00 0.00 N ATOM 1846 CA LYS A 656 2.702 -9.902 -11.079 1.00 0.00 C ATOM 1847 C LYS A 656 1.739 -8.741 -10.863 1.00 0.00 C ATOM 1848 O LYS A 656 1.201 -8.185 -11.819 1.00 0.00 O ATOM 1849 CB LYS A 656 1.996 -11.233 -10.812 1.00 0.00 C ATOM 1850 CG LYS A 656 2.803 -12.446 -11.251 1.00 0.00 C ATOM 1851 CD LYS A 656 2.072 -13.743 -10.946 1.00 0.00 C ATOM 1852 CE LYS A 656 2.997 -14.944 -11.062 1.00 0.00 C ATOM 1853 NZ LYS A 656 3.603 -15.049 -12.418 1.00 0.00 N ATOM 0 H LYS A 656 4.021 -10.560 -9.593 1.00 0.00 H new ATOM 0 HA LYS A 656 3.036 -9.882 -12.117 1.00 0.00 H new ATOM 0 HB2 LYS A 656 1.782 -11.315 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 656 1.037 -11.237 -11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 656 3.003 -12.383 -12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 656 3.769 -12.444 -10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 656 1.655 -13.699 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 656 1.234 -13.860 -11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 656 3.788 -14.867 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 656 2.439 -15.854 -10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 4.088 -15.964 -12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 2.856 -14.978 -13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 4.288 -14.278 -12.553 1.00 0.00 H new ATOM 1867 N HIS A 657 1.529 -8.373 -9.603 1.00 0.00 N ATOM 1868 CA HIS A 657 0.635 -7.272 -9.268 1.00 0.00 C ATOM 1869 C HIS A 657 1.264 -5.938 -9.653 1.00 0.00 C ATOM 1870 O HIS A 657 0.778 -5.243 -10.546 1.00 0.00 O ATOM 1871 CB HIS A 657 0.313 -7.280 -7.773 1.00 0.00 C ATOM 1872 CG HIS A 657 -0.522 -6.118 -7.335 1.00 0.00 C ATOM 1873 ND1 HIS A 657 -0.970 -5.957 -6.041 1.00 0.00 N ATOM 1874 CD2 HIS A 657 -0.994 -5.055 -8.029 1.00 0.00 C ATOM 1875 CE1 HIS A 657 -1.685 -4.850 -5.958 1.00 0.00 C ATOM 1876 NE2 HIS A 657 -1.713 -4.283 -7.149 1.00 0.00 N ATOM 0 H HIS A 657 1.966 -8.822 -8.798 1.00 0.00 H new ATOM 0 HA HIS A 657 -0.290 -7.402 -9.830 1.00 0.00 H new ATOM 0 HB2 HIS A 657 -0.209 -8.205 -7.527 1.00 0.00 H new ATOM 0 HB3 HIS A 657 1.246 -7.280 -7.209 1.00 0.00 H new ATOM 0 HD2 HIS A 657 -0.835 -4.852 -9.078 1.00 0.00 H new ATOM 0 HE1 HIS A 657 -2.165 -4.473 -5.067 1.00 0.00 H new ATOM 0 HE2 HIS A 657 -2.191 -3.412 -7.379 1.00 0.00 H new ATOM 1885 N TRP A 658 2.353 -5.595 -8.976 1.00 0.00 N ATOM 1886 CA TRP A 658 3.065 -4.351 -9.245 1.00 0.00 C ATOM 1887 C TRP A 658 3.309 -4.186 -10.742 1.00 0.00 C ATOM 1888 O TRP A 658 2.579 -3.472 -11.430 1.00 0.00 O ATOM 1889 CB TRP A 658 4.398 -4.344 -8.492 1.00 0.00 C ATOM 1890 CG TRP A 658 5.334 -3.270 -8.948 1.00 0.00 C ATOM 1891 CD1 TRP A 658 6.517 -3.438 -9.610 1.00 0.00 C ATOM 1892 CD2 TRP A 658 5.168 -1.862 -8.772 1.00 0.00 C ATOM 1893 NE1 TRP A 658 7.097 -2.217 -9.855 1.00 0.00 N ATOM 1894 CE2 TRP A 658 6.285 -1.232 -9.352 1.00 0.00 C ATOM 1895 CE3 TRP A 658 4.179 -1.072 -8.181 1.00 0.00 C ATOM 1896 CZ2 TRP A 658 6.439 0.152 -9.356 1.00 0.00 C ATOM 1897 CZ3 TRP A 658 4.333 0.301 -8.185 1.00 0.00 C ATOM 1898 CH2 TRP A 658 5.455 0.901 -8.770 1.00 0.00 C ATOM 0 H TRP A 658 2.764 -6.162 -8.235 1.00 0.00 H new ATOM 0 HA TRP A 658 2.454 -3.517 -8.901 1.00 0.00 H new ATOM 0 HB2 TRP A 658 4.204 -4.218 -7.427 1.00 0.00 H new ATOM 0 HB3 TRP A 658 4.881 -5.313 -8.616 1.00 0.00 H new ATOM 0 HD1 TRP A 658 6.935 -4.391 -9.899 1.00 0.00 H new ATOM 0 HE1 TRP A 658 7.986 -2.067 -10.333 1.00 0.00 H new ATOM 0 HE3 TRP A 658 3.310 -1.526 -7.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.304 0.617 -9.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 3.576 0.922 -7.729 1.00 0.00 H new ATOM 0 HH2 TRP A 658 5.546 1.977 -8.758 1.00 0.00 H new ATOM 1909 N TYR A 659 4.337 -4.863 -11.234 1.00 0.00 N ATOM 1910 CA TYR A 659 4.697 -4.822 -12.644 1.00 0.00 C ATOM 1911 C TYR A 659 3.460 -4.685 -13.531 1.00 0.00 C ATOM 1912 O TYR A 659 3.387 -3.784 -14.365 1.00 0.00 O ATOM 1913 CB TYR A 659 5.464 -6.104 -12.983 1.00 0.00 C ATOM 1914 CG TYR A 659 6.161 -6.130 -14.332 1.00 0.00 C ATOM 1915 CD1 TYR A 659 5.660 -5.452 -15.439 1.00 0.00 C ATOM 1916 CD2 TYR A 659 7.327 -6.868 -14.496 1.00 0.00 C ATOM 1917 CE1 TYR A 659 6.298 -5.505 -16.658 1.00 0.00 C ATOM 1918 CE2 TYR A 659 7.972 -6.927 -15.714 1.00 0.00 C ATOM 1919 CZ TYR A 659 7.453 -6.245 -16.795 1.00 0.00 C ATOM 1920 OH TYR A 659 8.091 -6.300 -18.013 1.00 0.00 O ATOM 0 H TYR A 659 4.944 -5.455 -10.668 1.00 0.00 H new ATOM 0 HA TYR A 659 5.323 -3.949 -12.832 1.00 0.00 H new ATOM 0 HB2 TYR A 659 6.212 -6.271 -12.208 1.00 0.00 H new ATOM 0 HB3 TYR A 659 4.768 -6.942 -12.941 1.00 0.00 H new ATOM 0 HD1 TYR A 659 4.754 -4.873 -15.340 1.00 0.00 H new ATOM 0 HD2 TYR A 659 7.736 -7.406 -13.654 1.00 0.00 H new ATOM 0 HE1 TYR A 659 5.895 -4.969 -17.504 1.00 0.00 H new ATOM 0 HE2 TYR A 659 8.879 -7.504 -15.821 1.00 0.00 H new ATOM 0 HH TYR A 659 8.890 -6.863 -17.939 1.00 0.00 H new ATOM 1930 N GLU A 660 2.493 -5.578 -13.358 1.00 0.00 N ATOM 1931 CA GLU A 660 1.282 -5.545 -14.166 1.00 0.00 C ATOM 1932 C GLU A 660 0.851 -4.113 -14.416 1.00 0.00 C ATOM 1933 O GLU A 660 0.563 -3.725 -15.547 1.00 0.00 O ATOM 1934 CB GLU A 660 0.151 -6.310 -13.478 1.00 0.00 C ATOM 1935 CG GLU A 660 -0.053 -7.716 -14.016 1.00 0.00 C ATOM 1936 CD GLU A 660 -0.431 -7.728 -15.484 1.00 0.00 C ATOM 1937 OE1 GLU A 660 -0.224 -6.698 -16.159 1.00 0.00 O ATOM 1938 OE2 GLU A 660 -0.932 -8.769 -15.959 1.00 0.00 O ATOM 0 H GLU A 660 2.524 -6.330 -12.669 1.00 0.00 H new ATOM 0 HA GLU A 660 1.501 -6.024 -15.120 1.00 0.00 H new ATOM 0 HB2 GLU A 660 0.360 -6.366 -12.410 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -0.777 -5.749 -13.592 1.00 0.00 H new ATOM 0 HG2 GLU A 660 0.862 -8.291 -13.875 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -0.834 -8.212 -13.439 1.00 0.00 H new ATOM 1945 N CYS A 661 0.821 -3.331 -13.351 1.00 0.00 N ATOM 1946 CA CYS A 661 0.433 -1.929 -13.450 1.00 0.00 C ATOM 1947 C CYS A 661 1.138 -1.271 -14.631 1.00 0.00 C ATOM 1948 O CYS A 661 0.549 -0.467 -15.355 1.00 0.00 O ATOM 1949 CB CYS A 661 0.774 -1.187 -12.159 1.00 0.00 C ATOM 1950 SG CYS A 661 0.059 0.470 -12.049 1.00 0.00 S ATOM 0 H CYS A 661 1.060 -3.639 -12.408 1.00 0.00 H new ATOM 0 HA CYS A 661 -0.645 -1.879 -13.607 1.00 0.00 H new ATOM 0 HB2 CYS A 661 0.428 -1.778 -11.311 1.00 0.00 H new ATOM 0 HB3 CYS A 661 1.858 -1.110 -12.072 1.00 0.00 H new ATOM 0 HG CYS A 661 -0.854 0.610 -12.964 1.00 0.00 H new ATOM 1956 N LEU A 662 2.401 -1.631 -14.821 1.00 0.00 N ATOM 1957 CA LEU A 662 3.201 -1.095 -15.914 1.00 0.00 C ATOM 1958 C LEU A 662 2.682 -1.597 -17.256 1.00 0.00 C ATOM 1959 O LEU A 662 2.818 -0.927 -18.278 1.00 0.00 O ATOM 1960 CB LEU A 662 4.661 -1.498 -15.734 1.00 0.00 C ATOM 1961 CG LEU A 662 5.443 -0.635 -14.748 1.00 0.00 C ATOM 1962 CD1 LEU A 662 5.527 -1.310 -13.387 1.00 0.00 C ATOM 1963 CD2 LEU A 662 6.827 -0.355 -15.290 1.00 0.00 C ATOM 0 H LEU A 662 2.896 -2.297 -14.227 1.00 0.00 H new ATOM 0 HA LEU A 662 3.125 -0.008 -15.900 1.00 0.00 H new ATOM 0 HB2 LEU A 662 4.699 -2.534 -15.399 1.00 0.00 H new ATOM 0 HB3 LEU A 662 5.157 -1.458 -16.704 1.00 0.00 H new ATOM 0 HG LEU A 662 4.917 0.311 -14.622 1.00 0.00 H new ATOM 0 HD11 LEU A 662 6.089 -0.676 -12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 662 4.522 -1.467 -12.996 1.00 0.00 H new ATOM 0 HD13 LEU A 662 6.031 -2.271 -13.488 1.00 0.00 H new ATOM 0 HD21 LEU A 662 7.378 0.262 -14.580 1.00 0.00 H new ATOM 0 HD22 LEU A 662 7.356 -1.296 -15.440 1.00 0.00 H new ATOM 0 HD23 LEU A 662 6.746 0.172 -16.241 1.00 0.00 H new ATOM 1975 N LYS A 663 2.080 -2.780 -17.240 1.00 0.00 N ATOM 1976 CA LYS A 663 1.530 -3.378 -18.439 1.00 0.00 C ATOM 1977 C LYS A 663 0.107 -2.889 -18.651 1.00 0.00 C ATOM 1978 O LYS A 663 -0.288 -2.528 -19.760 1.00 0.00 O ATOM 1979 CB LYS A 663 1.534 -4.891 -18.283 1.00 0.00 C ATOM 1980 CG LYS A 663 2.646 -5.398 -17.386 1.00 0.00 C ATOM 1981 CD LYS A 663 2.716 -6.917 -17.386 1.00 0.00 C ATOM 1982 CE LYS A 663 4.040 -7.417 -17.941 1.00 0.00 C ATOM 1983 NZ LYS A 663 3.904 -8.755 -18.581 1.00 0.00 N ATOM 0 H LYS A 663 1.962 -3.345 -16.399 1.00 0.00 H new ATOM 0 HA LYS A 663 2.134 -3.095 -19.301 1.00 0.00 H new ATOM 0 HB2 LYS A 663 0.574 -5.210 -17.876 1.00 0.00 H new ATOM 0 HB3 LYS A 663 1.632 -5.351 -19.267 1.00 0.00 H new ATOM 0 HG2 LYS A 663 3.599 -4.989 -17.721 1.00 0.00 H new ATOM 0 HG3 LYS A 663 2.485 -5.041 -16.369 1.00 0.00 H new ATOM 0 HD2 LYS A 663 2.584 -7.288 -16.370 1.00 0.00 H new ATOM 0 HD3 LYS A 663 1.896 -7.319 -17.981 1.00 0.00 H new ATOM 0 HE2 LYS A 663 4.421 -6.702 -18.671 1.00 0.00 H new ATOM 0 HE3 LYS A 663 4.773 -7.472 -17.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 663 4.828 -9.061 -18.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 663 3.565 -9.443 -17.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 663 3.223 -8.697 -19.365 1.00 0.00 H new ATOM 1997 N ASN A 664 -0.652 -2.879 -17.564 1.00 0.00 N ATOM 1998 CA ASN A 664 -2.038 -2.433 -17.597 1.00 0.00 C ATOM 1999 C ASN A 664 -2.184 -1.082 -16.907 1.00 0.00 C ATOM 2000 O ASN A 664 -2.967 -0.932 -15.969 1.00 0.00 O ATOM 2001 CB ASN A 664 -2.943 -3.465 -16.923 1.00 0.00 C ATOM 2002 CG ASN A 664 -3.806 -4.213 -17.918 1.00 0.00 C ATOM 2003 OD1 ASN A 664 -4.461 -3.608 -18.768 1.00 0.00 O ATOM 2004 ND2 ASN A 664 -3.810 -5.537 -17.820 1.00 0.00 N ATOM 0 H ASN A 664 -0.329 -3.176 -16.643 1.00 0.00 H new ATOM 0 HA ASN A 664 -2.338 -2.325 -18.639 1.00 0.00 H new ATOM 0 HB2 ASN A 664 -2.329 -4.177 -16.371 1.00 0.00 H new ATOM 0 HB3 ASN A 664 -3.582 -2.964 -16.196 1.00 0.00 H new ATOM 0 HD21 ASN A 664 -4.371 -6.094 -18.464 1.00 0.00 H new ATOM 0 HD22 ASN A 664 -3.252 -5.997 -17.100 1.00 0.00 H new ATOM 2011 N LYS A 665 -1.421 -0.100 -17.376 1.00 0.00 N ATOM 2012 CA LYS A 665 -1.463 1.238 -16.802 1.00 0.00 C ATOM 2013 C LYS A 665 -2.899 1.665 -16.525 1.00 0.00 C ATOM 2014 O LYS A 665 -3.426 1.428 -15.441 1.00 0.00 O ATOM 2015 CB LYS A 665 -0.793 2.244 -17.742 1.00 0.00 C ATOM 2016 CG LYS A 665 0.725 2.167 -17.731 1.00 0.00 C ATOM 2017 CD LYS A 665 1.236 1.083 -18.666 1.00 0.00 C ATOM 2018 CE LYS A 665 0.596 1.187 -20.040 1.00 0.00 C ATOM 2019 NZ LYS A 665 1.451 0.585 -21.098 1.00 0.00 N ATOM 0 H LYS A 665 -0.767 -0.207 -18.151 1.00 0.00 H new ATOM 0 HA LYS A 665 -0.919 1.217 -15.858 1.00 0.00 H new ATOM 0 HB2 LYS A 665 -1.150 2.074 -18.758 1.00 0.00 H new ATOM 0 HB3 LYS A 665 -1.100 3.252 -17.461 1.00 0.00 H new ATOM 0 HG2 LYS A 665 1.141 3.130 -18.027 1.00 0.00 H new ATOM 0 HG3 LYS A 665 1.073 1.968 -16.717 1.00 0.00 H new ATOM 0 HD2 LYS A 665 2.319 1.163 -18.761 1.00 0.00 H new ATOM 0 HD3 LYS A 665 1.025 0.103 -18.238 1.00 0.00 H new ATOM 0 HE2 LYS A 665 -0.372 0.687 -20.028 1.00 0.00 H new ATOM 0 HE3 LYS A 665 0.411 2.235 -20.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 665 0.979 0.677 -22.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 665 2.366 1.078 -21.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 665 1.607 -0.421 -20.887 1.00 0.00 H new ATOM 2033 N ASP A 666 -3.525 2.296 -17.512 1.00 0.00 N ATOM 2034 CA ASP A 666 -4.903 2.761 -17.378 1.00 0.00 C ATOM 2035 C ASP A 666 -5.767 1.747 -16.632 1.00 0.00 C ATOM 2036 O ASP A 666 -6.755 2.111 -15.996 1.00 0.00 O ATOM 2037 CB ASP A 666 -5.504 3.039 -18.757 1.00 0.00 C ATOM 2038 CG ASP A 666 -6.201 4.383 -18.824 1.00 0.00 C ATOM 2039 OD1 ASP A 666 -5.511 5.399 -19.051 1.00 0.00 O ATOM 2040 OD2 ASP A 666 -7.438 4.420 -18.648 1.00 0.00 O ATOM 0 H ASP A 666 -3.100 2.498 -18.417 1.00 0.00 H new ATOM 0 HA ASP A 666 -4.885 3.683 -16.797 1.00 0.00 H new ATOM 0 HB2 ASP A 666 -4.715 3.005 -19.508 1.00 0.00 H new ATOM 0 HB3 ASP A 666 -6.215 2.251 -19.006 1.00 0.00 H new ATOM 2045 N LYS A 667 -5.392 0.474 -16.714 1.00 0.00 N ATOM 2046 CA LYS A 667 -6.141 -0.586 -16.048 1.00 0.00 C ATOM 2047 C LYS A 667 -5.785 -0.652 -14.567 1.00 0.00 C ATOM 2048 O LYS A 667 -4.753 -0.134 -14.143 1.00 0.00 O ATOM 2049 CB LYS A 667 -5.866 -1.935 -16.714 1.00 0.00 C ATOM 2050 CG LYS A 667 -6.832 -2.264 -17.842 1.00 0.00 C ATOM 2051 CD LYS A 667 -8.230 -2.546 -17.314 1.00 0.00 C ATOM 2052 CE LYS A 667 -9.299 -1.988 -18.239 1.00 0.00 C ATOM 2053 NZ LYS A 667 -9.024 -2.311 -19.666 1.00 0.00 N ATOM 0 H LYS A 667 -4.576 0.152 -17.234 1.00 0.00 H new ATOM 0 HA LYS A 667 -7.203 -0.358 -16.139 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -4.849 -1.937 -17.106 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.919 -2.721 -15.960 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -6.869 -1.432 -18.545 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -6.468 -3.131 -18.393 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -8.368 -3.622 -17.204 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -8.341 -2.107 -16.322 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -10.271 -2.393 -17.956 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -9.356 -0.906 -18.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -9.916 -2.308 -20.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -8.379 -1.599 -20.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -8.585 -3.251 -19.731 1.00 0.00 H new ATOM 2067 N LYS A 668 -6.652 -1.284 -13.783 1.00 0.00 N ATOM 2068 CA LYS A 668 -6.433 -1.405 -12.348 1.00 0.00 C ATOM 2069 C LYS A 668 -5.908 -2.788 -11.975 1.00 0.00 C ATOM 2070 O LYS A 668 -6.334 -3.799 -12.533 1.00 0.00 O ATOM 2071 CB LYS A 668 -7.732 -1.127 -11.591 1.00 0.00 C ATOM 2072 CG LYS A 668 -8.486 0.091 -12.101 1.00 0.00 C ATOM 2073 CD LYS A 668 -9.007 0.942 -10.955 1.00 0.00 C ATOM 2074 CE LYS A 668 -7.912 1.246 -9.945 1.00 0.00 C ATOM 2075 NZ LYS A 668 -7.946 2.667 -9.500 1.00 0.00 N ATOM 0 H LYS A 668 -7.512 -1.720 -14.117 1.00 0.00 H new ATOM 0 HA LYS A 668 -5.680 -0.669 -12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 668 -8.379 -2.001 -11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 668 -7.504 -0.986 -10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 668 -7.828 0.690 -12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 668 -9.320 -0.231 -12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 668 -9.411 1.875 -11.348 1.00 0.00 H new ATOM 0 HD3 LYS A 668 -9.827 0.423 -10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 668 -8.024 0.592 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 668 -6.940 1.027 -10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 668 -7.190 3.198 -9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 668 -8.868 3.084 -9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 668 -7.804 2.712 -8.471 1.00 0.00 H new ATOM 2089 N ILE A 669 -4.994 -2.820 -11.012 1.00 0.00 N ATOM 2090 CA ILE A 669 -4.417 -4.071 -10.535 1.00 0.00 C ATOM 2091 C ILE A 669 -4.605 -4.196 -9.029 1.00 0.00 C ATOM 2092 O ILE A 669 -3.793 -3.695 -8.250 1.00 0.00 O ATOM 2093 CB ILE A 669 -2.914 -4.176 -10.857 1.00 0.00 C ATOM 2094 CG1 ILE A 669 -2.611 -3.565 -12.231 1.00 0.00 C ATOM 2095 CG2 ILE A 669 -2.460 -5.627 -10.787 1.00 0.00 C ATOM 2096 CD1 ILE A 669 -2.769 -4.527 -13.393 1.00 0.00 C ATOM 0 H ILE A 669 -4.635 -1.988 -10.544 1.00 0.00 H new ATOM 0 HA ILE A 669 -4.937 -4.878 -11.051 1.00 0.00 H new ATOM 0 HB ILE A 669 -2.356 -3.610 -10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -3.271 -2.712 -12.389 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -1.590 -3.183 -12.228 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -1.396 -5.687 -11.017 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -2.637 -6.016 -9.784 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -3.021 -6.219 -11.510 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -2.536 -4.013 -14.325 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -2.089 -5.369 -13.263 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -3.796 -4.891 -13.427 1.00 0.00 H new ATOM 2108 N GLU A 670 -5.684 -4.852 -8.622 1.00 0.00 N ATOM 2109 CA GLU A 670 -5.978 -5.023 -7.204 1.00 0.00 C ATOM 2110 C GLU A 670 -5.769 -6.464 -6.759 1.00 0.00 C ATOM 2111 O GLU A 670 -6.080 -7.406 -7.487 1.00 0.00 O ATOM 2112 CB GLU A 670 -7.413 -4.589 -6.902 1.00 0.00 C ATOM 2113 CG GLU A 670 -8.467 -5.467 -7.557 1.00 0.00 C ATOM 2114 CD GLU A 670 -8.900 -4.945 -8.913 1.00 0.00 C ATOM 2115 OE1 GLU A 670 -8.037 -4.428 -9.654 1.00 0.00 O ATOM 2116 OE2 GLU A 670 -10.102 -5.054 -9.235 1.00 0.00 O ATOM 0 H GLU A 670 -6.368 -5.273 -9.250 1.00 0.00 H new ATOM 0 HA GLU A 670 -5.285 -4.393 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.566 -4.596 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -7.550 -3.561 -7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -8.074 -6.478 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -9.336 -5.534 -6.903 1.00 0.00 H new ATOM 2123 N ARG A 671 -5.242 -6.619 -5.551 1.00 0.00 N ATOM 2124 CA ARG A 671 -4.988 -7.940 -4.989 1.00 0.00 C ATOM 2125 C ARG A 671 -4.709 -7.844 -3.492 1.00 0.00 C ATOM 2126 O ARG A 671 -4.410 -6.767 -2.976 1.00 0.00 O ATOM 2127 CB ARG A 671 -3.814 -8.606 -5.708 1.00 0.00 C ATOM 2128 CG ARG A 671 -2.458 -8.241 -5.133 1.00 0.00 C ATOM 2129 CD ARG A 671 -1.869 -9.388 -4.333 1.00 0.00 C ATOM 2130 NE ARG A 671 -1.688 -10.587 -5.147 1.00 0.00 N ATOM 2131 CZ ARG A 671 -1.230 -11.740 -4.671 1.00 0.00 C ATOM 2132 NH1 ARG A 671 -0.906 -11.848 -3.390 1.00 0.00 N ATOM 2133 NH2 ARG A 671 -1.097 -12.786 -5.474 1.00 0.00 N ATOM 0 H ARG A 671 -4.982 -5.845 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 671 -5.878 -8.552 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -3.938 -9.688 -5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -3.839 -8.326 -6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -1.778 -7.973 -5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -2.556 -7.363 -4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -0.909 -9.084 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -2.523 -9.616 -3.492 1.00 0.00 H new ATOM 0 HE ARG A 671 -1.927 -10.536 -6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -1.008 -11.046 -2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -0.555 -12.734 -3.026 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -1.346 -12.707 -6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -0.745 -13.670 -5.106 1.00 0.00 H new ATOM 2147 N TRP A 672 -4.823 -8.972 -2.796 1.00 0.00 N ATOM 2148 CA TRP A 672 -4.595 -9.003 -1.354 1.00 0.00 C ATOM 2149 C TRP A 672 -3.140 -9.313 -1.021 1.00 0.00 C ATOM 2150 O TRP A 672 -2.562 -10.271 -1.535 1.00 0.00 O ATOM 2151 CB TRP A 672 -5.507 -10.038 -0.696 1.00 0.00 C ATOM 2152 CG TRP A 672 -6.939 -9.611 -0.653 1.00 0.00 C ATOM 2153 CD1 TRP A 672 -7.926 -9.965 -1.529 1.00 0.00 C ATOM 2154 CD2 TRP A 672 -7.547 -8.744 0.311 1.00 0.00 C ATOM 2155 NE1 TRP A 672 -9.110 -9.369 -1.168 1.00 0.00 N ATOM 2156 CE2 TRP A 672 -8.902 -8.615 -0.044 1.00 0.00 C ATOM 2157 CE3 TRP A 672 -7.077 -8.064 1.439 1.00 0.00 C ATOM 2158 CZ2 TRP A 672 -9.791 -7.834 0.687 1.00 0.00 C ATOM 2159 CZ3 TRP A 672 -7.962 -7.289 2.166 1.00 0.00 C ATOM 2160 CH2 TRP A 672 -9.306 -7.180 1.787 1.00 0.00 C ATOM 0 H TRP A 672 -5.071 -9.873 -3.205 1.00 0.00 H new ATOM 0 HA TRP A 672 -4.827 -8.012 -0.964 1.00 0.00 H new ATOM 0 HB2 TRP A 672 -5.430 -10.980 -1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 672 -5.159 -10.227 0.320 1.00 0.00 H new ATOM 0 HD1 TRP A 672 -7.795 -10.617 -2.380 1.00 0.00 H new ATOM 0 HE1 TRP A 672 -9.999 -9.471 -1.657 1.00 0.00 H new ATOM 0 HE3 TRP A 672 -6.042 -8.143 1.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 672 -10.828 -7.747 0.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 672 -7.611 -6.760 3.040 1.00 0.00 H new ATOM 0 HH2 TRP A 672 -9.973 -6.567 2.375 1.00 0.00 H new ATOM 2171 N HIS A 673 -2.562 -8.498 -0.148 1.00 0.00 N ATOM 2172 CA HIS A 673 -1.178 -8.678 0.270 1.00 0.00 C ATOM 2173 C HIS A 673 -1.109 -9.103 1.732 1.00 0.00 C ATOM 2174 O HIS A 673 -1.743 -8.495 2.595 1.00 0.00 O ATOM 2175 CB HIS A 673 -0.389 -7.383 0.070 1.00 0.00 C ATOM 2176 CG HIS A 673 -0.079 -7.083 -1.363 1.00 0.00 C ATOM 2177 ND1 HIS A 673 0.481 -7.992 -2.234 1.00 0.00 N ATOM 2178 CD2 HIS A 673 -0.261 -5.944 -2.078 1.00 0.00 C ATOM 2179 CE1 HIS A 673 0.619 -7.390 -3.423 1.00 0.00 C ATOM 2180 NE2 HIS A 673 0.183 -6.146 -3.382 1.00 0.00 N ATOM 0 H HIS A 673 -3.032 -7.703 0.285 1.00 0.00 H new ATOM 0 HA HIS A 673 -0.737 -9.463 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 673 -0.957 -6.553 0.491 1.00 0.00 H new ATOM 0 HB3 HIS A 673 0.545 -7.447 0.629 1.00 0.00 H new ATOM 0 HD1 HIS A 673 0.744 -8.952 -2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 673 -0.683 -5.026 -1.696 1.00 0.00 H new ATOM 0 HE1 HIS A 673 1.034 -7.862 -4.301 1.00 0.00 H new ATOM 2188 N GLN A 674 -0.334 -10.144 2.006 1.00 0.00 N ATOM 2189 CA GLN A 674 -0.184 -10.642 3.368 1.00 0.00 C ATOM 2190 C GLN A 674 0.762 -9.751 4.163 1.00 0.00 C ATOM 2191 O GLN A 674 1.956 -9.677 3.871 1.00 0.00 O ATOM 2192 CB GLN A 674 0.336 -12.081 3.358 1.00 0.00 C ATOM 2193 CG GLN A 674 -0.182 -12.908 2.191 1.00 0.00 C ATOM 2194 CD GLN A 674 0.931 -13.607 1.433 1.00 0.00 C ATOM 2195 OE1 GLN A 674 1.615 -12.998 0.610 1.00 0.00 O ATOM 2196 NE2 GLN A 674 1.118 -14.893 1.707 1.00 0.00 N ATOM 0 H GLN A 674 0.199 -10.659 1.306 1.00 0.00 H new ATOM 0 HA GLN A 674 -1.163 -10.626 3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 674 1.425 -12.065 3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 674 0.052 -12.567 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 674 -0.887 -13.652 2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 674 -0.732 -12.261 1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 674 0.528 -15.359 2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 674 1.852 -15.415 1.228 1.00 0.00 H new ATOM 2205 N LEU A 675 0.218 -9.068 5.162 1.00 0.00 N ATOM 2206 CA LEU A 675 1.007 -8.173 5.997 1.00 0.00 C ATOM 2207 C LEU A 675 2.221 -8.882 6.584 1.00 0.00 C ATOM 2208 O LEU A 675 2.104 -9.955 7.176 1.00 0.00 O ATOM 2209 CB LEU A 675 0.145 -7.602 7.121 1.00 0.00 C ATOM 2210 CG LEU A 675 -1.045 -6.764 6.658 1.00 0.00 C ATOM 2211 CD1 LEU A 675 -1.950 -6.433 7.833 1.00 0.00 C ATOM 2212 CD2 LEU A 675 -0.564 -5.494 5.974 1.00 0.00 C ATOM 0 H LEU A 675 -0.769 -9.117 5.414 1.00 0.00 H new ATOM 0 HA LEU A 675 1.364 -7.359 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 675 -0.225 -8.427 7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 675 0.774 -6.988 7.765 1.00 0.00 H new ATOM 0 HG LEU A 675 -1.620 -7.345 5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 675 -2.793 -5.836 7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 675 -2.319 -7.356 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 675 -1.388 -5.869 8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 675 -1.424 -4.907 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 675 0.032 -4.908 6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 675 0.044 -5.755 5.108 1.00 0.00 H new ATOM 2224 N GLN A 676 3.384 -8.266 6.420 1.00 0.00 N ATOM 2225 CA GLN A 676 4.630 -8.821 6.936 1.00 0.00 C ATOM 2226 C GLN A 676 5.312 -7.827 7.871 1.00 0.00 C ATOM 2227 O GLN A 676 4.989 -6.639 7.872 1.00 0.00 O ATOM 2228 CB GLN A 676 5.569 -9.184 5.784 1.00 0.00 C ATOM 2229 CG GLN A 676 5.296 -10.554 5.185 1.00 0.00 C ATOM 2230 CD GLN A 676 6.442 -11.522 5.399 1.00 0.00 C ATOM 2231 OE1 GLN A 676 7.179 -11.846 4.468 1.00 0.00 O ATOM 2232 NE2 GLN A 676 6.598 -11.991 6.632 1.00 0.00 N ATOM 0 H GLN A 676 3.491 -7.377 5.931 1.00 0.00 H new ATOM 0 HA GLN A 676 4.395 -9.725 7.498 1.00 0.00 H new ATOM 0 HB2 GLN A 676 5.479 -8.430 5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 676 6.598 -9.151 6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 676 4.389 -10.966 5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 676 5.109 -10.449 4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 676 5.964 -11.696 7.374 1.00 0.00 H new ATOM 0 HE22 GLN A 676 7.352 -12.647 6.837 1.00 0.00 H new ATOM 2241 N ASN A 677 6.257 -8.317 8.668 1.00 0.00 N ATOM 2242 CA ASN A 677 6.979 -7.466 9.608 1.00 0.00 C ATOM 2243 C ASN A 677 8.297 -6.984 9.010 1.00 0.00 C ATOM 2244 O ASN A 677 9.135 -7.788 8.600 1.00 0.00 O ATOM 2245 CB ASN A 677 7.245 -8.222 10.911 1.00 0.00 C ATOM 2246 CG ASN A 677 5.965 -8.635 11.611 1.00 0.00 C ATOM 2247 OD1 ASN A 677 5.039 -9.148 10.983 1.00 0.00 O ATOM 2248 ND2 ASN A 677 5.908 -8.413 12.918 1.00 0.00 N ATOM 0 H ASN A 677 6.540 -9.297 8.682 1.00 0.00 H new ATOM 0 HA ASN A 677 6.358 -6.595 9.819 1.00 0.00 H new ATOM 0 HB2 ASN A 677 7.842 -9.109 10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 677 7.835 -7.594 11.579 1.00 0.00 H new ATOM 0 HD21 ASN A 677 5.072 -8.670 13.443 1.00 0.00 H new ATOM 0 HD22 ASN A 677 6.700 -7.985 13.398 1.00 0.00 H new