USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 909 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 600 THR OG1 : rot -57:sc= -1.49! USER MOD Set 1.2: A 605 GLN :FLIP amide:sc= -1.67 F(o=-3.9!,f=-3.2) USER MOD Set 2.1: A 561 LYS NZ :NH3+ 143:sc= 0.903 (180deg=0) USER MOD Set 2.2: A 562 GLN : amide:sc= -0.198 K(o=0.71,f=-2.7) USER MOD Single : A 521 THR OG1 : rot 180:sc= 0.00335 USER MOD Single : A 530 GLN :FLIP amide:sc= -1.37 F(o=-2.4,f=-1.4) USER MOD Single : A 531 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-1.2) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -118:sc= 0.566 (180deg=0) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 THR OG1 : rot 108:sc= 0.794 USER MOD Single : A 552 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 553 TYR OH : rot 47:sc= 0.574 USER MOD Single : A 556 CYS SG : rot 180:sc= -0.2 USER MOD Single : A 558 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 560 MET CE :methyl 154:sc= -0.372 (180deg=-1.41!) USER MOD Single : A 568 LYS NZ :NH3+ 154:sc= 1.21 (180deg=1.16) USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 571 SER OG : rot 86:sc= 1.31 USER MOD Single : A 573 ASN : amide:sc= 0.732 K(o=0.73,f=0) USER MOD Single : A 576 HIS : no HD1:sc=-0.00609 X(o=-0.0061,f=-0.0061) USER MOD Single : A 577 SER OG : rot 173:sc= 0 USER MOD Single : A 582 HIS : no HD1:sc= -0.215 K(o=-0.22,f=-8.9!) USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 173:sc= -0.31 (180deg=-0.419) USER MOD Single : A 608 GLN : amide:sc= 0.184 X(o=0.18,f=0) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.05) USER MOD Single : A 622 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 13.996 17.317 8.523 1.00 0.00 N ATOM 2 CA ARG A 516 13.101 17.260 7.346 1.00 0.00 C ATOM 3 C ARG A 516 12.500 15.873 7.200 1.00 0.00 C ATOM 4 O ARG A 516 13.029 14.897 7.733 1.00 0.00 O ATOM 5 CB ARG A 516 13.856 17.617 6.061 1.00 0.00 C ATOM 6 CG ARG A 516 14.283 19.071 5.976 1.00 0.00 C ATOM 7 CD ARG A 516 14.960 19.374 4.646 1.00 0.00 C ATOM 8 NE ARG A 516 14.092 19.078 3.503 1.00 0.00 N ATOM 9 CZ ARG A 516 14.294 19.536 2.266 1.00 0.00 C ATOM 10 NH1 ARG A 516 15.326 20.330 2.000 1.00 0.00 N ATOM 11 NH2 ARG A 516 13.457 19.196 1.294 1.00 0.00 N ATOM 0 HA ARG A 516 12.305 17.988 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 516 14.741 16.985 5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 516 13.223 17.385 5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 516 13.412 19.715 6.098 1.00 0.00 H new ATOM 0 HG3 ARG A 516 14.966 19.300 6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 516 15.249 20.425 4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 516 15.876 18.789 4.565 1.00 0.00 H new ATOM 0 HE ARG A 516 13.280 18.482 3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 516 15.971 20.594 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.473 20.675 1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 516 12.663 18.587 1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 516 13.607 19.544 0.347 1.00 0.00 H new ATOM 27 N ARG A 517 11.388 15.795 6.491 1.00 0.00 N ATOM 28 CA ARG A 517 10.767 14.521 6.177 1.00 0.00 C ATOM 29 C ARG A 517 10.906 14.244 4.689 1.00 0.00 C ATOM 30 O ARG A 517 11.025 15.176 3.890 1.00 0.00 O ATOM 31 CB ARG A 517 9.286 14.529 6.559 1.00 0.00 C ATOM 32 CG ARG A 517 9.030 14.726 8.042 1.00 0.00 C ATOM 33 CD ARG A 517 7.545 14.654 8.346 1.00 0.00 C ATOM 34 NE ARG A 517 7.255 14.863 9.763 1.00 0.00 N ATOM 35 CZ ARG A 517 6.082 14.585 10.328 1.00 0.00 C ATOM 36 NH1 ARG A 517 5.095 14.086 9.600 1.00 0.00 N ATOM 37 NH2 ARG A 517 5.894 14.810 11.619 1.00 0.00 N ATOM 0 H ARG A 517 10.893 16.606 6.119 1.00 0.00 H new ATOM 0 HA ARG A 517 11.268 13.740 6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 517 8.783 15.322 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 517 8.836 13.587 6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 517 9.560 13.963 8.612 1.00 0.00 H new ATOM 0 HG3 ARG A 517 9.424 15.692 8.359 1.00 0.00 H new ATOM 0 HD2 ARG A 517 7.019 15.405 7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 517 7.161 13.681 8.039 1.00 0.00 H new ATOM 0 HE ARG A 517 7.994 15.244 10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 517 5.232 13.914 8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 517 4.197 13.874 10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 517 6.649 15.198 12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 517 4.994 14.596 12.048 1.00 0.00 H new ATOM 51 N ARG A 518 10.893 12.978 4.315 1.00 0.00 N ATOM 52 CA ARG A 518 10.974 12.611 2.914 1.00 0.00 C ATOM 53 C ARG A 518 9.649 12.028 2.482 1.00 0.00 C ATOM 54 O ARG A 518 9.224 10.975 2.961 1.00 0.00 O ATOM 55 CB ARG A 518 12.115 11.616 2.666 1.00 0.00 C ATOM 56 CG ARG A 518 12.595 11.545 1.215 1.00 0.00 C ATOM 57 CD ARG A 518 11.642 10.779 0.301 1.00 0.00 C ATOM 58 NE ARG A 518 12.348 10.169 -0.832 1.00 0.00 N ATOM 59 CZ ARG A 518 11.838 10.005 -2.058 1.00 0.00 C ATOM 60 NH1 ARG A 518 10.654 10.519 -2.378 1.00 0.00 N ATOM 61 NH2 ARG A 518 12.534 9.334 -2.969 1.00 0.00 N ATOM 0 H ARG A 518 10.827 12.190 4.959 1.00 0.00 H new ATOM 0 HA ARG A 518 11.190 13.501 2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 518 12.959 11.886 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 518 11.787 10.623 2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 518 12.720 12.557 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 518 13.575 11.070 1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 518 11.134 10.003 0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 518 10.873 11.455 -0.071 1.00 0.00 H new ATOM 0 HE ARG A 518 13.302 9.845 -0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 518 10.123 11.046 -1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 518 10.277 10.386 -3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 518 13.448 8.949 -2.731 1.00 0.00 H new ATOM 0 HH22 ARG A 518 12.154 9.203 -3.907 1.00 0.00 H new ATOM 75 N ILE A 519 8.998 12.722 1.580 1.00 0.00 N ATOM 76 CA ILE A 519 7.687 12.322 1.122 1.00 0.00 C ATOM 77 C ILE A 519 7.841 11.430 -0.088 1.00 0.00 C ATOM 78 O ILE A 519 8.739 11.639 -0.903 1.00 0.00 O ATOM 79 CB ILE A 519 6.820 13.535 0.747 1.00 0.00 C ATOM 80 CG1 ILE A 519 7.058 14.678 1.738 1.00 0.00 C ATOM 81 CG2 ILE A 519 5.347 13.144 0.709 1.00 0.00 C ATOM 82 CD1 ILE A 519 6.116 15.849 1.555 1.00 0.00 C ATOM 0 H ILE A 519 9.357 13.572 1.145 1.00 0.00 H new ATOM 0 HA ILE A 519 7.190 11.791 1.934 1.00 0.00 H new ATOM 0 HB ILE A 519 7.104 13.879 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 519 6.954 14.295 2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 519 8.085 15.029 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 519 4.746 14.014 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 519 5.198 12.359 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 519 5.042 12.780 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 519 6.345 16.619 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 519 6.236 16.259 0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 519 5.088 15.513 1.689 1.00 0.00 H new ATOM 94 N ALA A 520 6.998 10.429 -0.201 1.00 0.00 N ATOM 95 CA ALA A 520 7.086 9.520 -1.317 1.00 0.00 C ATOM 96 C ALA A 520 6.278 10.033 -2.496 1.00 0.00 C ATOM 97 O ALA A 520 5.217 10.633 -2.332 1.00 0.00 O ATOM 98 CB ALA A 520 6.625 8.132 -0.920 1.00 0.00 C ATOM 0 H ALA A 520 6.250 10.226 0.461 1.00 0.00 H new ATOM 0 HA ALA A 520 8.131 9.459 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 520 6.700 7.464 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.253 7.757 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 520 5.589 8.175 -0.584 1.00 0.00 H new ATOM 104 N THR A 521 6.819 9.824 -3.673 1.00 0.00 N ATOM 105 CA THR A 521 6.115 10.094 -4.908 1.00 0.00 C ATOM 106 C THR A 521 5.659 8.784 -5.523 1.00 0.00 C ATOM 107 O THR A 521 6.310 7.762 -5.328 1.00 0.00 O ATOM 108 CB THR A 521 7.026 10.848 -5.889 1.00 0.00 C ATOM 109 OG1 THR A 521 8.394 10.675 -5.498 1.00 0.00 O ATOM 110 CG2 THR A 521 6.685 12.329 -5.929 1.00 0.00 C ATOM 0 H THR A 521 7.763 9.461 -3.803 1.00 0.00 H new ATOM 0 HA THR A 521 5.247 10.718 -4.696 1.00 0.00 H new ATOM 0 HB THR A 521 6.871 10.439 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 521 8.976 11.154 -6.124 1.00 0.00 H new ATOM 0 HG21 THR A 521 7.346 12.836 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 521 5.651 12.456 -6.248 1.00 0.00 H new ATOM 0 HG23 THR A 521 6.813 12.759 -4.936 1.00 0.00 H new ATOM 118 N PRO A 522 4.538 8.780 -6.259 1.00 0.00 N ATOM 119 CA PRO A 522 3.996 7.557 -6.852 1.00 0.00 C ATOM 120 C PRO A 522 5.045 6.788 -7.655 1.00 0.00 C ATOM 121 O PRO A 522 5.135 5.567 -7.566 1.00 0.00 O ATOM 122 CB PRO A 522 2.866 8.054 -7.770 1.00 0.00 C ATOM 123 CG PRO A 522 3.014 9.540 -7.834 1.00 0.00 C ATOM 124 CD PRO A 522 3.704 9.949 -6.566 1.00 0.00 C ATOM 0 HA PRO A 522 3.653 6.859 -6.089 1.00 0.00 H new ATOM 0 HB2 PRO A 522 2.945 7.610 -8.762 1.00 0.00 H new ATOM 0 HB3 PRO A 522 1.890 7.775 -7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 522 3.597 9.836 -8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 522 2.041 10.024 -7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 522 4.304 10.849 -6.704 1.00 0.00 H new ATOM 0 HD3 PRO A 522 2.992 10.159 -5.768 1.00 0.00 H new ATOM 132 N GLU A 523 5.822 7.523 -8.439 1.00 0.00 N ATOM 133 CA GLU A 523 6.902 6.935 -9.228 1.00 0.00 C ATOM 134 C GLU A 523 7.882 6.170 -8.320 1.00 0.00 C ATOM 135 O GLU A 523 8.326 5.073 -8.654 1.00 0.00 O ATOM 136 CB GLU A 523 7.637 8.021 -10.021 1.00 0.00 C ATOM 137 CG GLU A 523 8.277 9.091 -9.152 1.00 0.00 C ATOM 138 CD GLU A 523 8.914 10.194 -9.963 1.00 0.00 C ATOM 139 OE1 GLU A 523 10.056 10.013 -10.436 1.00 0.00 O ATOM 140 OE2 GLU A 523 8.277 11.253 -10.128 1.00 0.00 O ATOM 0 H GLU A 523 5.726 8.533 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 523 6.467 6.227 -9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 523 8.409 7.552 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 523 6.934 8.495 -10.706 1.00 0.00 H new ATOM 0 HG2 GLU A 523 7.521 9.519 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 523 9.032 8.632 -8.514 1.00 0.00 H new ATOM 147 N GLU A 524 8.210 6.758 -7.172 1.00 0.00 N ATOM 148 CA GLU A 524 9.086 6.124 -6.194 1.00 0.00 C ATOM 149 C GLU A 524 8.390 4.955 -5.501 1.00 0.00 C ATOM 150 O GLU A 524 9.023 3.969 -5.152 1.00 0.00 O ATOM 151 CB GLU A 524 9.527 7.143 -5.148 1.00 0.00 C ATOM 152 CG GLU A 524 10.322 8.301 -5.719 1.00 0.00 C ATOM 153 CD GLU A 524 11.660 7.883 -6.283 1.00 0.00 C ATOM 154 OE1 GLU A 524 11.725 7.509 -7.472 1.00 0.00 O ATOM 155 OE2 GLU A 524 12.659 7.942 -5.542 1.00 0.00 O ATOM 0 H GLU A 524 7.878 7.682 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 524 9.957 5.741 -6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.645 7.535 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 524 10.130 6.638 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 524 9.738 8.782 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 524 10.480 9.045 -4.938 1.00 0.00 H new ATOM 162 N VAL A 525 7.086 5.078 -5.298 1.00 0.00 N ATOM 163 CA VAL A 525 6.316 4.038 -4.622 1.00 0.00 C ATOM 164 C VAL A 525 6.099 2.833 -5.538 1.00 0.00 C ATOM 165 O VAL A 525 5.997 1.693 -5.079 1.00 0.00 O ATOM 166 CB VAL A 525 4.953 4.575 -4.134 1.00 0.00 C ATOM 167 CG1 VAL A 525 4.144 3.485 -3.446 1.00 0.00 C ATOM 168 CG2 VAL A 525 5.148 5.756 -3.198 1.00 0.00 C ATOM 0 H VAL A 525 6.537 5.886 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 525 6.894 3.721 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 525 4.395 4.909 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 525 3.190 3.895 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 525 3.965 2.669 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 525 4.697 3.110 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 525 4.176 6.120 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 525 5.734 5.443 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 525 5.674 6.553 -3.723 1.00 0.00 H new ATOM 178 N ARG A 526 6.021 3.087 -6.838 1.00 0.00 N ATOM 179 CA ARG A 526 5.923 2.009 -7.813 1.00 0.00 C ATOM 180 C ARG A 526 7.298 1.432 -8.116 1.00 0.00 C ATOM 181 O ARG A 526 7.402 0.366 -8.711 1.00 0.00 O ATOM 182 CB ARG A 526 5.246 2.467 -9.111 1.00 0.00 C ATOM 183 CG ARG A 526 5.987 3.567 -9.842 1.00 0.00 C ATOM 184 CD ARG A 526 5.257 4.000 -11.102 1.00 0.00 C ATOM 185 NE ARG A 526 4.066 4.800 -10.819 1.00 0.00 N ATOM 186 CZ ARG A 526 2.819 4.430 -11.118 1.00 0.00 C ATOM 187 NH1 ARG A 526 2.566 3.207 -11.572 1.00 0.00 N ATOM 188 NH2 ARG A 526 1.820 5.284 -10.942 1.00 0.00 N ATOM 0 H ARG A 526 6.024 4.025 -7.240 1.00 0.00 H new ATOM 0 HA ARG A 526 5.299 1.232 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 526 5.143 1.610 -9.776 1.00 0.00 H new ATOM 0 HB3 ARG A 526 4.239 2.814 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 526 6.109 4.424 -9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 526 6.987 3.220 -10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 526 5.936 4.577 -11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 526 4.969 3.116 -11.672 1.00 0.00 H new ATOM 0 HE ARG A 526 4.197 5.702 -10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 526 3.329 2.541 -11.695 1.00 0.00 H new ATOM 0 HH12 ARG A 526 1.609 2.934 -11.797 1.00 0.00 H new ATOM 0 HH21 ARG A 526 2.006 6.219 -10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 526 0.865 5.006 -11.169 1.00 0.00 H new ATOM 202 N LEU A 527 8.353 2.151 -7.729 1.00 0.00 N ATOM 203 CA LEU A 527 9.729 1.685 -7.906 1.00 0.00 C ATOM 204 C LEU A 527 9.900 0.254 -7.365 1.00 0.00 C ATOM 205 O LEU A 527 10.419 -0.613 -8.070 1.00 0.00 O ATOM 206 CB LEU A 527 10.701 2.659 -7.210 1.00 0.00 C ATOM 207 CG LEU A 527 11.948 3.065 -8.001 1.00 0.00 C ATOM 208 CD1 LEU A 527 12.896 1.892 -8.168 1.00 0.00 C ATOM 209 CD2 LEU A 527 11.559 3.641 -9.353 1.00 0.00 C ATOM 0 H LEU A 527 8.279 3.067 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 527 9.958 1.661 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 527 10.151 3.564 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 527 11.024 2.206 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 527 12.470 3.837 -7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 527 13.772 2.210 -8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 527 13.208 1.533 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 527 12.390 1.089 -8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 527 12.458 3.924 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 527 11.008 2.893 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 527 10.932 4.520 -9.207 1.00 0.00 H new ATOM 221 N PRO A 528 9.459 -0.028 -6.116 1.00 0.00 N ATOM 222 CA PRO A 528 9.468 -1.390 -5.570 1.00 0.00 C ATOM 223 C PRO A 528 8.680 -2.364 -6.440 1.00 0.00 C ATOM 224 O PRO A 528 9.092 -3.510 -6.634 1.00 0.00 O ATOM 225 CB PRO A 528 8.792 -1.240 -4.203 1.00 0.00 C ATOM 226 CG PRO A 528 8.968 0.190 -3.840 1.00 0.00 C ATOM 227 CD PRO A 528 8.954 0.947 -5.128 1.00 0.00 C ATOM 0 HA PRO A 528 10.478 -1.796 -5.517 1.00 0.00 H new ATOM 0 HB2 PRO A 528 7.736 -1.507 -4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 528 9.251 -1.894 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 528 8.168 0.527 -3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 528 9.906 0.345 -3.307 1.00 0.00 H new ATOM 0 HD2 PRO A 528 7.950 1.288 -5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 528 9.589 1.832 -5.079 1.00 0.00 H new ATOM 235 N LEU A 529 7.565 -1.888 -6.990 1.00 0.00 N ATOM 236 CA LEU A 529 6.679 -2.717 -7.803 1.00 0.00 C ATOM 237 C LEU A 529 7.370 -3.164 -9.087 1.00 0.00 C ATOM 238 O LEU A 529 6.953 -4.127 -9.728 1.00 0.00 O ATOM 239 CB LEU A 529 5.398 -1.949 -8.159 1.00 0.00 C ATOM 240 CG LEU A 529 4.623 -1.363 -6.976 1.00 0.00 C ATOM 241 CD1 LEU A 529 3.360 -0.663 -7.456 1.00 0.00 C ATOM 242 CD2 LEU A 529 4.274 -2.446 -5.973 1.00 0.00 C ATOM 0 H LEU A 529 7.252 -0.923 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 529 6.423 -3.598 -7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 529 5.660 -1.136 -8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 529 4.736 -2.619 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 529 5.261 -0.629 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 529 2.823 -0.253 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 529 3.628 0.145 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 529 2.722 -1.378 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 529 3.724 -2.007 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 529 3.658 -3.204 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 529 5.189 -2.906 -5.601 1.00 0.00 H new ATOM 254 N GLN A 530 8.420 -2.449 -9.467 1.00 0.00 N ATOM 255 CA GLN A 530 9.154 -2.761 -10.684 1.00 0.00 C ATOM 256 C GLN A 530 10.203 -3.837 -10.419 1.00 0.00 C ATOM 257 O GLN A 530 10.553 -4.616 -11.308 1.00 0.00 O ATOM 258 CB GLN A 530 9.844 -1.506 -11.224 1.00 0.00 C ATOM 259 CG GLN A 530 8.966 -0.265 -11.202 1.00 0.00 C ATOM 260 CD GLN A 530 9.649 0.951 -11.792 1.00 0.00 C ATOM 261 OE1 GLN A 530 9.302 2.121 -11.287 1.00 0.00 O flip ATOM 262 NE2 GLN A 530 10.484 0.841 -12.690 1.00 0.00 N flip ATOM 0 H GLN A 530 8.782 -1.648 -8.949 1.00 0.00 H new ATOM 0 HA GLN A 530 8.442 -3.131 -11.422 1.00 0.00 H new ATOM 0 HB2 GLN A 530 10.742 -1.315 -10.636 1.00 0.00 H new ATOM 0 HB3 GLN A 530 10.167 -1.693 -12.248 1.00 0.00 H new ATOM 0 HG2 GLN A 530 8.049 -0.465 -11.756 1.00 0.00 H new ATOM 0 HG3 GLN A 530 8.676 -0.049 -10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 530 10.724 -0.082 -13.053 1.00 0.00 H new ATOM 0 HE22 GLN A 530 10.936 1.672 -13.071 1.00 0.00 H new ATOM 271 N HIS A 531 10.691 -3.884 -9.187 1.00 0.00 N ATOM 272 CA HIS A 531 11.798 -4.770 -8.842 1.00 0.00 C ATOM 273 C HIS A 531 11.318 -6.113 -8.306 1.00 0.00 C ATOM 274 O HIS A 531 12.037 -7.107 -8.398 1.00 0.00 O ATOM 275 CB HIS A 531 12.732 -4.100 -7.833 1.00 0.00 C ATOM 276 CG HIS A 531 13.603 -3.048 -8.448 1.00 0.00 C ATOM 277 ND1 HIS A 531 14.823 -3.361 -8.997 1.00 0.00 N ATOM 278 CD2 HIS A 531 13.384 -1.720 -8.589 1.00 0.00 C ATOM 279 CE1 HIS A 531 15.314 -2.224 -9.459 1.00 0.00 C ATOM 280 NE2 HIS A 531 14.478 -1.203 -9.234 1.00 0.00 N ATOM 0 H HIS A 531 10.341 -3.322 -8.411 1.00 0.00 H new ATOM 0 HA HIS A 531 12.348 -4.965 -9.763 1.00 0.00 H new ATOM 0 HB2 HIS A 531 12.137 -3.651 -7.038 1.00 0.00 H new ATOM 0 HB3 HIS A 531 13.362 -4.860 -7.370 1.00 0.00 H new ATOM 0 HD2 HIS A 531 12.514 -1.172 -8.257 1.00 0.00 H new ATOM 0 HE1 HIS A 531 16.269 -2.131 -9.955 1.00 0.00 H new ATOM 0 HE2 HIS A 531 14.626 -0.228 -9.493 1.00 0.00 H new ATOM 288 N GLY A 532 10.113 -6.152 -7.756 1.00 0.00 N ATOM 289 CA GLY A 532 9.591 -7.408 -7.249 1.00 0.00 C ATOM 290 C GLY A 532 8.628 -7.228 -6.097 1.00 0.00 C ATOM 291 O GLY A 532 7.805 -8.103 -5.829 1.00 0.00 O ATOM 0 H GLY A 532 9.493 -5.349 -7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 532 9.087 -7.938 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 532 10.421 -8.036 -6.926 1.00 0.00 H new ATOM 295 N TRP A 533 8.733 -6.106 -5.402 1.00 0.00 N ATOM 296 CA TRP A 533 7.821 -5.806 -4.308 1.00 0.00 C ATOM 297 C TRP A 533 6.411 -5.593 -4.836 1.00 0.00 C ATOM 298 O TRP A 533 6.220 -5.244 -6.003 1.00 0.00 O ATOM 299 CB TRP A 533 8.266 -4.550 -3.564 1.00 0.00 C ATOM 300 CG TRP A 533 9.597 -4.677 -2.897 1.00 0.00 C ATOM 301 CD1 TRP A 533 10.822 -4.681 -3.498 1.00 0.00 C ATOM 302 CD2 TRP A 533 9.836 -4.790 -1.493 1.00 0.00 C ATOM 303 NE1 TRP A 533 11.807 -4.811 -2.554 1.00 0.00 N ATOM 304 CE2 TRP A 533 11.228 -4.872 -1.312 1.00 0.00 C ATOM 305 CE3 TRP A 533 9.005 -4.832 -0.371 1.00 0.00 C ATOM 306 CZ2 TRP A 533 11.808 -4.992 -0.052 1.00 0.00 C ATOM 307 CZ3 TRP A 533 9.580 -4.949 0.879 1.00 0.00 C ATOM 308 CH2 TRP A 533 10.968 -5.027 1.030 1.00 0.00 C ATOM 0 H TRP A 533 9.438 -5.390 -5.575 1.00 0.00 H new ATOM 0 HA TRP A 533 7.831 -6.654 -3.623 1.00 0.00 H new ATOM 0 HB2 TRP A 533 8.301 -3.718 -4.267 1.00 0.00 H new ATOM 0 HB3 TRP A 533 7.517 -4.301 -2.812 1.00 0.00 H new ATOM 0 HD1 TRP A 533 10.991 -4.594 -4.561 1.00 0.00 H new ATOM 0 HE1 TRP A 533 12.808 -4.855 -2.744 1.00 0.00 H new ATOM 0 HE3 TRP A 533 7.932 -4.774 -0.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 12.879 -5.055 0.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 8.948 -4.981 1.754 1.00 0.00 H new ATOM 0 HH2 TRP A 533 11.387 -5.117 2.021 1.00 0.00 H new ATOM 319 N ARG A 534 5.426 -5.796 -3.981 1.00 0.00 N ATOM 320 CA ARG A 534 4.040 -5.547 -4.331 1.00 0.00 C ATOM 321 C ARG A 534 3.443 -4.606 -3.300 1.00 0.00 C ATOM 322 O ARG A 534 3.950 -4.519 -2.179 1.00 0.00 O ATOM 323 CB ARG A 534 3.234 -6.850 -4.365 1.00 0.00 C ATOM 324 CG ARG A 534 3.139 -7.501 -5.737 1.00 0.00 C ATOM 325 CD ARG A 534 4.477 -8.024 -6.232 1.00 0.00 C ATOM 326 NE ARG A 534 4.352 -8.634 -7.555 1.00 0.00 N ATOM 327 CZ ARG A 534 5.259 -9.435 -8.113 1.00 0.00 C ATOM 328 NH1 ARG A 534 6.408 -9.686 -7.500 1.00 0.00 N ATOM 329 NH2 ARG A 534 5.019 -9.970 -9.304 1.00 0.00 N ATOM 0 H ARG A 534 5.563 -6.136 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 534 4.000 -5.102 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 534 3.686 -7.559 -3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 534 2.226 -6.648 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 534 2.425 -8.323 -5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 534 2.750 -6.776 -6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 534 5.197 -7.207 -6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 534 4.867 -8.758 -5.526 1.00 0.00 H new ATOM 0 HE ARG A 534 3.508 -8.431 -8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 534 6.604 -9.264 -6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 534 7.095 -10.301 -7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 534 4.144 -9.767 -9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 534 5.710 -10.584 -9.736 1.00 0.00 H new ATOM 343 N ARG A 535 2.377 -3.909 -3.660 1.00 0.00 N ATOM 344 CA ARG A 535 1.729 -3.028 -2.708 1.00 0.00 C ATOM 345 C ARG A 535 0.230 -2.982 -2.955 1.00 0.00 C ATOM 346 O ARG A 535 -0.228 -2.549 -4.015 1.00 0.00 O ATOM 347 CB ARG A 535 2.318 -1.625 -2.841 1.00 0.00 C ATOM 348 CG ARG A 535 1.893 -0.667 -1.746 1.00 0.00 C ATOM 349 CD ARG A 535 1.291 0.598 -2.323 1.00 0.00 C ATOM 350 NE ARG A 535 1.394 1.730 -1.402 1.00 0.00 N ATOM 351 CZ ARG A 535 0.542 2.753 -1.374 1.00 0.00 C ATOM 352 NH1 ARG A 535 -0.473 2.797 -2.226 1.00 0.00 N ATOM 353 NH2 ARG A 535 0.705 3.721 -0.484 1.00 0.00 N ATOM 0 H ARG A 535 1.950 -3.936 -4.586 1.00 0.00 H new ATOM 0 HA ARG A 535 1.900 -3.407 -1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 535 3.406 -1.698 -2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 535 2.025 -1.210 -3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 535 1.166 -1.154 -1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 535 2.754 -0.413 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 535 1.796 0.845 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 535 0.243 0.422 -2.564 1.00 0.00 H new ATOM 0 HE ARG A 535 2.169 1.736 -0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 535 -0.602 2.046 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 535 -1.125 3.581 -2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 535 1.481 3.681 0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 535 0.054 4.506 -0.460 1.00 0.00 H new ATOM 367 N GLU A 536 -0.520 -3.407 -1.962 1.00 0.00 N ATOM 368 CA GLU A 536 -1.966 -3.458 -2.052 1.00 0.00 C ATOM 369 C GLU A 536 -2.581 -2.527 -1.020 1.00 0.00 C ATOM 370 O GLU A 536 -2.068 -2.405 0.086 1.00 0.00 O ATOM 371 CB GLU A 536 -2.457 -4.885 -1.819 1.00 0.00 C ATOM 372 CG GLU A 536 -2.099 -5.840 -2.941 1.00 0.00 C ATOM 373 CD GLU A 536 -2.538 -7.259 -2.654 1.00 0.00 C ATOM 374 OE1 GLU A 536 -3.741 -7.558 -2.785 1.00 0.00 O ATOM 375 OE2 GLU A 536 -1.682 -8.086 -2.289 1.00 0.00 O ATOM 0 H GLU A 536 -0.146 -3.727 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 536 -2.269 -3.138 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 536 -2.034 -5.258 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 536 -3.540 -4.872 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 536 -2.563 -5.499 -3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 536 -1.021 -5.821 -3.100 1.00 0.00 H new ATOM 382 N VAL A 537 -3.659 -1.856 -1.377 1.00 0.00 N ATOM 383 CA VAL A 537 -4.326 -0.964 -0.446 1.00 0.00 C ATOM 384 C VAL A 537 -5.734 -1.458 -0.164 1.00 0.00 C ATOM 385 O VAL A 537 -6.546 -1.616 -1.074 1.00 0.00 O ATOM 386 CB VAL A 537 -4.386 0.485 -0.977 1.00 0.00 C ATOM 387 CG1 VAL A 537 -5.070 1.406 0.024 1.00 0.00 C ATOM 388 CG2 VAL A 537 -2.989 0.993 -1.295 1.00 0.00 C ATOM 0 H VAL A 537 -4.090 -1.910 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 537 -3.743 -0.962 0.475 1.00 0.00 H new ATOM 0 HB VAL A 537 -4.975 0.484 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 537 -5.099 2.420 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 537 -6.087 1.058 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 537 -4.514 1.401 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 537 -3.050 2.015 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 537 -2.380 0.972 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 537 -2.534 0.356 -2.054 1.00 0.00 H new ATOM 398 N ARG A 538 -6.009 -1.702 1.099 1.00 0.00 N ATOM 399 CA ARG A 538 -7.299 -2.226 1.510 1.00 0.00 C ATOM 400 C ARG A 538 -8.128 -1.131 2.158 1.00 0.00 C ATOM 401 O ARG A 538 -7.730 -0.568 3.180 1.00 0.00 O ATOM 402 CB ARG A 538 -7.105 -3.385 2.489 1.00 0.00 C ATOM 403 CG ARG A 538 -6.302 -4.535 1.910 1.00 0.00 C ATOM 404 CD ARG A 538 -6.059 -5.622 2.941 1.00 0.00 C ATOM 405 NE ARG A 538 -5.288 -6.728 2.383 1.00 0.00 N ATOM 406 CZ ARG A 538 -4.943 -7.819 3.060 1.00 0.00 C ATOM 407 NH1 ARG A 538 -5.276 -7.950 4.337 1.00 0.00 N ATOM 408 NH2 ARG A 538 -4.252 -8.776 2.458 1.00 0.00 N ATOM 0 H ARG A 538 -5.354 -1.546 1.865 1.00 0.00 H new ATOM 0 HA ARG A 538 -7.827 -2.591 0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 538 -6.603 -3.015 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 538 -8.082 -3.755 2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 538 -6.832 -4.955 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 538 -5.346 -4.163 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 538 -5.528 -5.202 3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 538 -7.015 -5.994 3.311 1.00 0.00 H new ATOM 0 HE ARG A 538 -4.994 -6.660 1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 538 -5.800 -7.211 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 538 -5.008 -8.790 4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 538 -3.987 -8.674 1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 538 -3.986 -9.614 2.974 1.00 0.00 H new ATOM 422 N ILE A 539 -9.277 -0.824 1.570 1.00 0.00 N ATOM 423 CA ILE A 539 -10.143 0.198 2.121 1.00 0.00 C ATOM 424 C ILE A 539 -11.429 -0.420 2.655 1.00 0.00 C ATOM 425 O ILE A 539 -12.163 -1.099 1.932 1.00 0.00 O ATOM 426 CB ILE A 539 -10.488 1.255 1.065 1.00 0.00 C ATOM 427 CG1 ILE A 539 -9.207 1.773 0.407 1.00 0.00 C ATOM 428 CG2 ILE A 539 -11.264 2.399 1.701 1.00 0.00 C ATOM 429 CD1 ILE A 539 -9.441 2.852 -0.623 1.00 0.00 C ATOM 0 H ILE A 539 -9.625 -1.266 0.719 1.00 0.00 H new ATOM 0 HA ILE A 539 -9.606 0.678 2.939 1.00 0.00 H new ATOM 0 HB ILE A 539 -11.114 0.800 0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 539 -8.544 2.161 1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 539 -8.690 0.938 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 539 -11.503 3.143 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 539 -12.187 2.015 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 539 -10.659 2.859 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 539 -8.486 3.167 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 539 -10.077 2.464 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 539 -9.929 3.705 -0.152 1.00 0.00 H new ATOM 441 N LYS A 540 -11.686 -0.174 3.922 1.00 0.00 N ATOM 442 CA LYS A 540 -12.855 -0.724 4.587 1.00 0.00 C ATOM 443 C LYS A 540 -13.623 0.339 5.354 1.00 0.00 C ATOM 444 O LYS A 540 -13.042 1.286 5.891 1.00 0.00 O ATOM 445 CB LYS A 540 -12.428 -1.858 5.522 1.00 0.00 C ATOM 446 CG LYS A 540 -11.299 -1.469 6.461 1.00 0.00 C ATOM 447 CD LYS A 540 -10.701 -2.677 7.166 1.00 0.00 C ATOM 448 CE LYS A 540 -11.678 -3.314 8.139 1.00 0.00 C ATOM 449 NZ LYS A 540 -11.085 -4.497 8.815 1.00 0.00 N ATOM 0 H LYS A 540 -11.098 0.408 4.519 1.00 0.00 H new ATOM 0 HA LYS A 540 -13.526 -1.116 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 540 -13.288 -2.177 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 540 -12.116 -2.714 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 540 -10.520 -0.956 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 540 -11.672 -0.764 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 540 -10.396 -3.415 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 540 -9.802 -2.374 7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 540 -11.978 -2.580 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 540 -12.580 -3.613 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 -11.780 -4.906 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 -10.821 -5.208 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 -10.238 -4.206 9.344 1.00 0.00 H new ATOM 463 N LYS A 541 -14.937 0.186 5.379 1.00 0.00 N ATOM 464 CA LYS A 541 -15.749 1.068 6.192 1.00 0.00 C ATOM 465 C LYS A 541 -15.598 0.652 7.645 1.00 0.00 C ATOM 466 O LYS A 541 -15.900 -0.486 8.014 1.00 0.00 O ATOM 467 CB LYS A 541 -17.219 1.018 5.776 1.00 0.00 C ATOM 468 CG LYS A 541 -18.144 1.763 6.729 1.00 0.00 C ATOM 469 CD LYS A 541 -17.918 3.268 6.699 1.00 0.00 C ATOM 470 CE LYS A 541 -18.730 3.965 7.779 1.00 0.00 C ATOM 471 NZ LYS A 541 -18.646 5.447 7.693 1.00 0.00 N ATOM 0 H LYS A 541 -15.452 -0.524 4.858 1.00 0.00 H new ATOM 0 HA LYS A 541 -15.411 2.095 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -17.321 1.442 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 541 -17.536 -0.023 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -19.180 1.549 6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -17.989 1.395 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -16.859 3.483 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -18.195 3.661 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -19.773 3.659 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -18.378 3.641 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -18.214 5.821 8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -18.063 5.715 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -19.601 5.843 7.583 1.00 0.00 H new ATOM 485 N GLY A 542 -15.129 1.571 8.459 1.00 0.00 N ATOM 486 CA GLY A 542 -14.789 1.245 9.821 1.00 0.00 C ATOM 487 C GLY A 542 -15.899 1.572 10.789 1.00 0.00 C ATOM 488 O GLY A 542 -16.872 2.236 10.428 1.00 0.00 O ATOM 0 H GLY A 542 -14.976 2.546 8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 542 -14.554 0.183 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 542 -13.889 1.790 10.108 1.00 0.00 H new ATOM 492 N SER A 543 -15.750 1.102 12.018 1.00 0.00 N ATOM 493 CA SER A 543 -16.737 1.334 13.060 1.00 0.00 C ATOM 494 C SER A 543 -16.764 2.814 13.444 1.00 0.00 C ATOM 495 O SER A 543 -17.762 3.321 13.962 1.00 0.00 O ATOM 496 CB SER A 543 -16.410 0.469 14.284 1.00 0.00 C ATOM 497 OG SER A 543 -17.515 0.374 15.167 1.00 0.00 O ATOM 0 H SER A 543 -14.946 0.552 12.320 1.00 0.00 H new ATOM 0 HA SER A 543 -17.723 1.058 12.685 1.00 0.00 H new ATOM 0 HB2 SER A 543 -16.118 -0.529 13.957 1.00 0.00 H new ATOM 0 HB3 SER A 543 -15.557 0.894 14.813 1.00 0.00 H new ATOM 0 HG SER A 543 -17.273 -0.185 15.935 1.00 0.00 H new ATOM 503 N HIS A 544 -15.667 3.509 13.171 1.00 0.00 N ATOM 504 CA HIS A 544 -15.550 4.914 13.527 1.00 0.00 C ATOM 505 C HIS A 544 -15.679 5.793 12.290 1.00 0.00 C ATOM 506 O HIS A 544 -16.476 6.732 12.263 1.00 0.00 O ATOM 507 CB HIS A 544 -14.209 5.181 14.221 1.00 0.00 C ATOM 508 CG HIS A 544 -13.928 4.254 15.365 1.00 0.00 C ATOM 509 ND1 HIS A 544 -14.435 4.485 16.620 1.00 0.00 N ATOM 510 CD2 HIS A 544 -13.204 3.108 15.385 1.00 0.00 C ATOM 511 CE1 HIS A 544 -14.016 3.480 17.371 1.00 0.00 C ATOM 512 NE2 HIS A 544 -13.266 2.624 16.665 1.00 0.00 N ATOM 0 H HIS A 544 -14.847 3.121 12.704 1.00 0.00 H new ATOM 0 HA HIS A 544 -16.358 5.159 14.216 1.00 0.00 H new ATOM 0 HB2 HIS A 544 -13.407 5.093 13.488 1.00 0.00 H new ATOM 0 HB3 HIS A 544 -14.197 6.208 14.586 1.00 0.00 H new ATOM 0 HD2 HIS A 544 -12.680 2.663 14.553 1.00 0.00 H new ATOM 0 HE1 HIS A 544 -14.249 3.364 18.419 1.00 0.00 H new ATOM 0 HE2 HIS A 544 -12.825 1.773 17.014 1.00 0.00 H new ATOM 520 N ARG A 545 -14.896 5.483 11.266 1.00 0.00 N ATOM 521 CA ARG A 545 -14.880 6.275 10.042 1.00 0.00 C ATOM 522 C ARG A 545 -14.454 5.417 8.857 1.00 0.00 C ATOM 523 O ARG A 545 -14.360 4.198 8.964 1.00 0.00 O ATOM 524 CB ARG A 545 -13.918 7.458 10.194 1.00 0.00 C ATOM 525 CG ARG A 545 -12.470 7.040 10.408 1.00 0.00 C ATOM 526 CD ARG A 545 -11.551 8.242 10.528 1.00 0.00 C ATOM 527 NE ARG A 545 -10.152 7.847 10.671 1.00 0.00 N ATOM 528 CZ ARG A 545 -9.171 8.681 11.007 1.00 0.00 C ATOM 529 NH1 ARG A 545 -9.433 9.966 11.228 1.00 0.00 N ATOM 530 NH2 ARG A 545 -7.928 8.230 11.118 1.00 0.00 N ATOM 0 H ARG A 545 -14.261 4.685 11.258 1.00 0.00 H new ATOM 0 HA ARG A 545 -15.887 6.651 9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 545 -13.980 8.083 9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 545 -14.239 8.071 11.036 1.00 0.00 H new ATOM 0 HG2 ARG A 545 -12.396 6.434 11.311 1.00 0.00 H new ATOM 0 HG3 ARG A 545 -12.145 6.415 9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 545 -11.662 8.873 9.646 1.00 0.00 H new ATOM 0 HD3 ARG A 545 -11.848 8.842 11.388 1.00 0.00 H new ATOM 0 HE ARG A 545 -9.912 6.870 10.503 1.00 0.00 H new ATOM 0 HH11 ARG A 545 -10.388 10.314 11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 545 -8.679 10.603 11.485 1.00 0.00 H new ATOM 0 HH21 ARG A 545 -7.725 7.245 10.946 1.00 0.00 H new ATOM 0 HH22 ARG A 545 -7.175 8.868 11.375 1.00 0.00 H new ATOM 544 N TRP A 546 -14.199 6.063 7.733 1.00 0.00 N ATOM 545 CA TRP A 546 -13.650 5.363 6.584 1.00 0.00 C ATOM 546 C TRP A 546 -12.144 5.258 6.731 1.00 0.00 C ATOM 547 O TRP A 546 -11.458 6.266 6.909 1.00 0.00 O ATOM 548 CB TRP A 546 -14.005 6.067 5.277 1.00 0.00 C ATOM 549 CG TRP A 546 -15.372 5.722 4.798 1.00 0.00 C ATOM 550 CD1 TRP A 546 -16.540 6.315 5.164 1.00 0.00 C ATOM 551 CD2 TRP A 546 -15.712 4.688 3.870 1.00 0.00 C ATOM 552 NE1 TRP A 546 -17.592 5.710 4.524 1.00 0.00 N ATOM 553 CE2 TRP A 546 -17.110 4.709 3.722 1.00 0.00 C ATOM 554 CE3 TRP A 546 -14.970 3.745 3.147 1.00 0.00 C ATOM 555 CZ2 TRP A 546 -17.782 3.824 2.889 1.00 0.00 C ATOM 556 CZ3 TRP A 546 -15.641 2.867 2.317 1.00 0.00 C ATOM 557 CH2 TRP A 546 -17.035 2.911 2.195 1.00 0.00 C ATOM 0 H TRP A 546 -14.361 7.060 7.591 1.00 0.00 H new ATOM 0 HA TRP A 546 -14.087 4.365 6.548 1.00 0.00 H new ATOM 0 HB2 TRP A 546 -13.934 7.146 5.418 1.00 0.00 H new ATOM 0 HB3 TRP A 546 -13.276 5.797 4.513 1.00 0.00 H new ATOM 0 HD1 TRP A 546 -16.627 7.140 5.856 1.00 0.00 H new ATOM 0 HE1 TRP A 546 -18.574 5.964 4.628 1.00 0.00 H new ATOM 0 HE3 TRP A 546 -13.894 3.705 3.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 -18.857 3.855 2.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 -15.081 2.135 1.754 1.00 0.00 H new ATOM 0 HH2 TRP A 546 -17.531 2.210 1.540 1.00 0.00 H new ATOM 568 N GLN A 547 -11.636 4.040 6.669 1.00 0.00 N ATOM 569 CA GLN A 547 -10.211 3.813 6.815 1.00 0.00 C ATOM 570 C GLN A 547 -9.640 3.042 5.640 1.00 0.00 C ATOM 571 O GLN A 547 -10.357 2.366 4.900 1.00 0.00 O ATOM 572 CB GLN A 547 -9.923 3.050 8.110 1.00 0.00 C ATOM 573 CG GLN A 547 -10.642 1.715 8.191 1.00 0.00 C ATOM 574 CD GLN A 547 -10.199 0.873 9.369 1.00 0.00 C ATOM 575 OE1 GLN A 547 -10.751 0.970 10.469 1.00 0.00 O ATOM 576 NE2 GLN A 547 -9.204 0.030 9.145 1.00 0.00 N ATOM 0 H GLN A 547 -12.188 3.196 6.519 1.00 0.00 H new ATOM 0 HA GLN A 547 -9.730 4.791 6.848 1.00 0.00 H new ATOM 0 HB2 GLN A 547 -8.849 2.883 8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 547 -10.217 3.666 8.960 1.00 0.00 H new ATOM 0 HG2 GLN A 547 -11.715 1.891 8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 547 -10.469 1.159 7.269 1.00 0.00 H new ATOM 0 HE21 GLN A 547 -8.775 -0.019 8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 547 -8.866 -0.571 9.897 1.00 0.00 H new ATOM 585 N GLY A 548 -8.339 3.148 5.498 1.00 0.00 N ATOM 586 CA GLY A 548 -7.623 2.436 4.472 1.00 0.00 C ATOM 587 C GLY A 548 -6.251 2.051 4.959 1.00 0.00 C ATOM 588 O GLY A 548 -5.685 2.734 5.816 1.00 0.00 O ATOM 0 H GLY A 548 -7.750 3.731 6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 548 -8.178 1.543 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 548 -7.538 3.058 3.581 1.00 0.00 H new ATOM 592 N GLU A 549 -5.713 0.968 4.439 1.00 0.00 N ATOM 593 CA GLU A 549 -4.400 0.515 4.860 1.00 0.00 C ATOM 594 C GLU A 549 -3.611 -0.010 3.678 1.00 0.00 C ATOM 595 O GLU A 549 -4.167 -0.549 2.722 1.00 0.00 O ATOM 596 CB GLU A 549 -4.514 -0.557 5.944 1.00 0.00 C ATOM 597 CG GLU A 549 -5.061 -1.872 5.434 1.00 0.00 C ATOM 598 CD GLU A 549 -5.557 -2.767 6.548 1.00 0.00 C ATOM 599 OE1 GLU A 549 -6.705 -2.578 6.998 1.00 0.00 O ATOM 600 OE2 GLU A 549 -4.804 -3.663 6.980 1.00 0.00 O ATOM 0 H GLU A 549 -6.159 0.387 3.729 1.00 0.00 H new ATOM 0 HA GLU A 549 -3.868 1.369 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 549 -3.530 -0.727 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 549 -5.159 -0.189 6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 549 -5.878 -1.676 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 549 -4.284 -2.392 4.874 1.00 0.00 H new ATOM 607 N THR A 550 -2.320 0.175 3.760 1.00 0.00 N ATOM 608 CA THR A 550 -1.430 -0.226 2.692 1.00 0.00 C ATOM 609 C THR A 550 -0.591 -1.430 3.097 1.00 0.00 C ATOM 610 O THR A 550 0.038 -1.438 4.155 1.00 0.00 O ATOM 611 CB THR A 550 -0.509 0.925 2.285 1.00 0.00 C ATOM 612 OG1 THR A 550 -1.277 1.999 1.724 1.00 0.00 O ATOM 613 CG2 THR A 550 0.524 0.447 1.288 1.00 0.00 C ATOM 0 H THR A 550 -1.854 0.604 4.560 1.00 0.00 H new ATOM 0 HA THR A 550 -2.051 -0.502 1.840 1.00 0.00 H new ATOM 0 HB THR A 550 0.007 1.288 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 550 -1.303 2.747 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 550 1.172 1.278 1.008 1.00 0.00 H new ATOM 0 HG22 THR A 550 1.123 -0.345 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 550 0.022 0.063 0.400 1.00 0.00 H new ATOM 621 N TRP A 551 -0.635 -2.461 2.275 1.00 0.00 N ATOM 622 CA TRP A 551 0.121 -3.668 2.529 1.00 0.00 C ATOM 623 C TRP A 551 1.273 -3.794 1.532 1.00 0.00 C ATOM 624 O TRP A 551 1.181 -3.364 0.381 1.00 0.00 O ATOM 625 CB TRP A 551 -0.776 -4.904 2.443 1.00 0.00 C ATOM 626 CG TRP A 551 -1.564 -5.155 3.691 1.00 0.00 C ATOM 627 CD1 TRP A 551 -2.435 -4.300 4.299 1.00 0.00 C ATOM 628 CD2 TRP A 551 -1.553 -6.348 4.484 1.00 0.00 C ATOM 629 NE1 TRP A 551 -2.961 -4.885 5.425 1.00 0.00 N ATOM 630 CE2 TRP A 551 -2.437 -6.142 5.559 1.00 0.00 C ATOM 631 CE3 TRP A 551 -0.880 -7.569 4.389 1.00 0.00 C ATOM 632 CZ2 TRP A 551 -2.666 -7.112 6.531 1.00 0.00 C ATOM 633 CZ3 TRP A 551 -1.107 -8.531 5.354 1.00 0.00 C ATOM 634 CH2 TRP A 551 -1.994 -8.298 6.413 1.00 0.00 C ATOM 0 H TRP A 551 -1.191 -2.484 1.420 1.00 0.00 H new ATOM 0 HA TRP A 551 0.527 -3.604 3.539 1.00 0.00 H new ATOM 0 HB2 TRP A 551 -1.464 -4.787 1.605 1.00 0.00 H new ATOM 0 HB3 TRP A 551 -0.159 -5.777 2.230 1.00 0.00 H new ATOM 0 HD1 TRP A 551 -2.676 -3.308 3.947 1.00 0.00 H new ATOM 0 HE1 TRP A 551 -3.633 -4.453 6.059 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.195 -7.757 3.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 -3.349 -6.935 7.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -0.592 -9.478 5.291 1.00 0.00 H new ATOM 0 HH2 TRP A 551 -2.151 -9.070 7.151 1.00 0.00 H new ATOM 645 N TYR A 552 2.345 -4.389 2.012 1.00 0.00 N ATOM 646 CA TYR A 552 3.529 -4.646 1.196 1.00 0.00 C ATOM 647 C TYR A 552 3.980 -6.082 1.369 1.00 0.00 C ATOM 648 O TYR A 552 3.701 -6.707 2.391 1.00 0.00 O ATOM 649 CB TYR A 552 4.683 -3.711 1.580 1.00 0.00 C ATOM 650 CG TYR A 552 4.741 -2.393 0.828 1.00 0.00 C ATOM 651 CD1 TYR A 552 4.052 -1.274 1.277 1.00 0.00 C ATOM 652 CD2 TYR A 552 5.531 -2.259 -0.307 1.00 0.00 C ATOM 653 CE1 TYR A 552 4.148 -0.064 0.620 1.00 0.00 C ATOM 654 CE2 TYR A 552 5.623 -1.053 -0.977 1.00 0.00 C ATOM 655 CZ TYR A 552 4.932 0.041 -0.506 1.00 0.00 C ATOM 656 OH TYR A 552 5.031 1.251 -1.154 1.00 0.00 O ATOM 0 H TYR A 552 2.427 -4.710 2.977 1.00 0.00 H new ATOM 0 HA TYR A 552 3.259 -4.463 0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 552 4.613 -3.497 2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 552 5.623 -4.240 1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 552 3.430 -1.352 2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 552 6.083 -3.112 -0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 552 3.610 0.797 0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 552 6.233 -0.970 -1.864 1.00 0.00 H new ATOM 0 HH TYR A 552 5.623 1.159 -1.930 1.00 0.00 H new ATOM 666 N TYR A 553 4.671 -6.613 0.374 1.00 0.00 N ATOM 667 CA TYR A 553 5.162 -7.977 0.438 1.00 0.00 C ATOM 668 C TYR A 553 6.593 -8.044 -0.059 1.00 0.00 C ATOM 669 O TYR A 553 6.918 -7.483 -1.108 1.00 0.00 O ATOM 670 CB TYR A 553 4.281 -8.899 -0.414 1.00 0.00 C ATOM 671 CG TYR A 553 2.800 -8.737 -0.153 1.00 0.00 C ATOM 672 CD1 TYR A 553 2.075 -7.733 -0.783 1.00 0.00 C ATOM 673 CD2 TYR A 553 2.129 -9.577 0.725 1.00 0.00 C ATOM 674 CE1 TYR A 553 0.728 -7.571 -0.547 1.00 0.00 C ATOM 675 CE2 TYR A 553 0.777 -9.420 0.966 1.00 0.00 C ATOM 676 CZ TYR A 553 0.083 -8.415 0.326 1.00 0.00 C ATOM 677 OH TYR A 553 -1.265 -8.258 0.551 1.00 0.00 O ATOM 0 H TYR A 553 4.904 -6.119 -0.487 1.00 0.00 H new ATOM 0 HA TYR A 553 5.127 -8.307 1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 553 4.479 -8.703 -1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 553 4.563 -9.934 -0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 553 2.577 -7.068 -1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 553 2.671 -10.365 1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.181 -6.785 -1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 553 0.267 -10.081 1.652 1.00 0.00 H new ATOM 0 HH TYR A 553 -1.731 -8.163 -0.306 1.00 0.00 H new ATOM 687 N GLY A 554 7.444 -8.710 0.705 1.00 0.00 N ATOM 688 CA GLY A 554 8.808 -8.914 0.285 1.00 0.00 C ATOM 689 C GLY A 554 8.889 -9.897 -0.862 1.00 0.00 C ATOM 690 O GLY A 554 8.295 -10.973 -0.799 1.00 0.00 O ATOM 0 H GLY A 554 7.210 -9.114 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 554 9.244 -7.962 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 554 9.398 -9.282 1.124 1.00 0.00 H new ATOM 694 N PRO A 555 9.626 -9.560 -1.925 1.00 0.00 N ATOM 695 CA PRO A 555 9.730 -10.405 -3.118 1.00 0.00 C ATOM 696 C PRO A 555 10.582 -11.646 -2.879 1.00 0.00 C ATOM 697 O PRO A 555 10.682 -12.524 -3.735 1.00 0.00 O ATOM 698 CB PRO A 555 10.407 -9.489 -4.136 1.00 0.00 C ATOM 699 CG PRO A 555 11.210 -8.542 -3.313 1.00 0.00 C ATOM 700 CD PRO A 555 10.421 -8.323 -2.053 1.00 0.00 C ATOM 0 HA PRO A 555 8.758 -10.783 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 555 11.040 -10.055 -4.820 1.00 0.00 H new ATOM 0 HB3 PRO A 555 9.673 -8.961 -4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 555 12.194 -8.954 -3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 555 11.370 -7.603 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 555 11.073 -8.174 -1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 555 9.783 -7.442 -2.127 1.00 0.00 H new ATOM 708 N CYS A 556 11.203 -11.704 -1.711 1.00 0.00 N ATOM 709 CA CYS A 556 12.124 -12.778 -1.391 1.00 0.00 C ATOM 710 C CYS A 556 11.903 -13.294 0.027 1.00 0.00 C ATOM 711 O CYS A 556 12.652 -14.147 0.501 1.00 0.00 O ATOM 712 CB CYS A 556 13.562 -12.278 -1.537 1.00 0.00 C ATOM 713 SG CYS A 556 13.893 -11.435 -3.102 1.00 0.00 S ATOM 0 H CYS A 556 11.084 -11.016 -0.968 1.00 0.00 H new ATOM 0 HA CYS A 556 11.943 -13.600 -2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 556 13.784 -11.597 -0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 556 14.242 -13.125 -1.442 1.00 0.00 H new ATOM 0 HG CYS A 556 15.133 -11.047 -3.132 1.00 0.00 H new ATOM 719 N GLY A 557 10.890 -12.781 0.719 1.00 0.00 N ATOM 720 CA GLY A 557 10.746 -13.091 2.125 1.00 0.00 C ATOM 721 C GLY A 557 9.343 -12.847 2.646 1.00 0.00 C ATOM 722 O GLY A 557 8.357 -13.086 1.946 1.00 0.00 O ATOM 0 H GLY A 557 10.175 -12.163 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 557 11.012 -14.135 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 557 11.450 -12.488 2.698 1.00 0.00 H new ATOM 726 N LYS A 558 9.273 -12.357 3.877 1.00 0.00 N ATOM 727 CA LYS A 558 7.998 -12.102 4.548 1.00 0.00 C ATOM 728 C LYS A 558 7.310 -10.872 3.959 1.00 0.00 C ATOM 729 O LYS A 558 7.819 -10.254 3.025 1.00 0.00 O ATOM 730 CB LYS A 558 8.193 -11.907 6.061 1.00 0.00 C ATOM 731 CG LYS A 558 8.825 -10.574 6.450 1.00 0.00 C ATOM 732 CD LYS A 558 10.342 -10.649 6.504 1.00 0.00 C ATOM 733 CE LYS A 558 10.813 -11.471 7.690 1.00 0.00 C ATOM 734 NZ LYS A 558 12.270 -11.754 7.626 1.00 0.00 N ATOM 0 H LYS A 558 10.092 -12.125 4.439 1.00 0.00 H new ATOM 0 HA LYS A 558 7.366 -12.976 4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 558 7.224 -11.993 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 558 8.817 -12.716 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 558 8.527 -9.810 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 558 8.444 -10.264 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 558 10.719 -11.089 5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 558 10.756 -9.643 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 558 10.587 -10.938 8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 558 10.262 -12.411 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 12.551 -12.317 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 12.483 -12.285 6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 12.798 -10.858 7.622 1.00 0.00 H new ATOM 748 N ARG A 559 6.163 -10.510 4.519 1.00 0.00 N ATOM 749 CA ARG A 559 5.443 -9.330 4.071 1.00 0.00 C ATOM 750 C ARG A 559 5.200 -8.383 5.229 1.00 0.00 C ATOM 751 O ARG A 559 4.962 -8.804 6.361 1.00 0.00 O ATOM 752 CB ARG A 559 4.113 -9.684 3.397 1.00 0.00 C ATOM 753 CG ARG A 559 3.083 -10.348 4.299 1.00 0.00 C ATOM 754 CD ARG A 559 3.374 -11.827 4.507 1.00 0.00 C ATOM 755 NE ARG A 559 3.609 -12.527 3.244 1.00 0.00 N ATOM 756 CZ ARG A 559 3.214 -13.774 2.997 1.00 0.00 C ATOM 757 NH1 ARG A 559 2.543 -14.457 3.913 1.00 0.00 N ATOM 758 NH2 ARG A 559 3.495 -14.338 1.831 1.00 0.00 N ATOM 0 H ARG A 559 5.714 -11.016 5.282 1.00 0.00 H new ATOM 0 HA ARG A 559 6.070 -8.838 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 559 3.679 -8.772 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 559 4.316 -10.347 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 559 3.068 -9.843 5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 559 2.091 -10.232 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 559 4.248 -11.937 5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 559 2.536 -12.291 5.027 1.00 0.00 H new ATOM 0 HE ARG A 559 4.107 -12.028 2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 559 2.327 -14.028 4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 559 2.243 -15.412 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 559 4.013 -13.817 1.124 1.00 0.00 H new ATOM 0 HH22 ARG A 559 3.193 -15.293 1.641 1.00 0.00 H new ATOM 772 N MET A 560 5.272 -7.104 4.930 1.00 0.00 N ATOM 773 CA MET A 560 5.139 -6.088 5.949 1.00 0.00 C ATOM 774 C MET A 560 4.096 -5.058 5.557 1.00 0.00 C ATOM 775 O MET A 560 3.905 -4.769 4.383 1.00 0.00 O ATOM 776 CB MET A 560 6.485 -5.402 6.214 1.00 0.00 C ATOM 777 CG MET A 560 7.599 -6.350 6.663 1.00 0.00 C ATOM 778 SD MET A 560 8.287 -7.344 5.321 1.00 0.00 S ATOM 779 CE MET A 560 8.753 -6.069 4.158 1.00 0.00 C ATOM 0 H MET A 560 5.422 -6.744 3.988 1.00 0.00 H new ATOM 0 HA MET A 560 4.812 -6.578 6.866 1.00 0.00 H new ATOM 0 HB2 MET A 560 6.804 -4.891 5.306 1.00 0.00 H new ATOM 0 HB3 MET A 560 6.345 -4.637 6.978 1.00 0.00 H new ATOM 0 HG2 MET A 560 8.399 -5.767 7.119 1.00 0.00 H new ATOM 0 HG3 MET A 560 7.210 -7.015 7.434 1.00 0.00 H new ATOM 0 HE1 MET A 560 9.567 -6.430 3.529 1.00 0.00 H new ATOM 0 HE2 MET A 560 7.897 -5.816 3.533 1.00 0.00 H new ATOM 0 HE3 MET A 560 9.080 -5.183 4.702 1.00 0.00 H new ATOM 789 N LYS A 561 3.430 -4.498 6.547 1.00 0.00 N ATOM 790 CA LYS A 561 2.456 -3.453 6.303 1.00 0.00 C ATOM 791 C LYS A 561 2.613 -2.348 7.340 1.00 0.00 C ATOM 792 O LYS A 561 1.772 -1.459 7.471 1.00 0.00 O ATOM 793 CB LYS A 561 1.028 -4.010 6.258 1.00 0.00 C ATOM 794 CG LYS A 561 0.581 -4.794 7.488 1.00 0.00 C ATOM 795 CD LYS A 561 0.076 -3.891 8.600 1.00 0.00 C ATOM 796 CE LYS A 561 -1.167 -3.118 8.184 1.00 0.00 C ATOM 797 NZ LYS A 561 -1.696 -2.285 9.294 1.00 0.00 N ATOM 0 H LYS A 561 3.546 -4.749 7.529 1.00 0.00 H new ATOM 0 HA LYS A 561 2.643 -3.022 5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 561 0.339 -3.179 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 561 0.938 -4.657 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.207 -5.491 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 561 1.415 -5.390 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.148 -4.492 9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 561 0.861 -3.190 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 561 -0.930 -2.481 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 561 -1.936 -3.817 7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 -2.058 -1.388 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 -2.466 -2.794 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 -0.934 -2.089 9.975 1.00 0.00 H new ATOM 811 N GLN A 562 3.722 -2.422 8.063 1.00 0.00 N ATOM 812 CA GLN A 562 4.103 -1.390 9.007 1.00 0.00 C ATOM 813 C GLN A 562 5.437 -0.792 8.596 1.00 0.00 C ATOM 814 O GLN A 562 6.312 -1.497 8.090 1.00 0.00 O ATOM 815 CB GLN A 562 4.215 -1.964 10.420 1.00 0.00 C ATOM 816 CG GLN A 562 2.929 -2.576 10.944 1.00 0.00 C ATOM 817 CD GLN A 562 1.811 -1.562 11.132 1.00 0.00 C ATOM 818 OE1 GLN A 562 0.633 -1.886 10.980 1.00 0.00 O ATOM 819 NE2 GLN A 562 2.163 -0.335 11.488 1.00 0.00 N ATOM 0 H GLN A 562 4.380 -3.200 8.009 1.00 0.00 H new ATOM 0 HA GLN A 562 3.335 -0.617 9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 562 4.997 -2.723 10.431 1.00 0.00 H new ATOM 0 HB3 GLN A 562 4.530 -1.171 11.099 1.00 0.00 H new ATOM 0 HG2 GLN A 562 2.595 -3.350 10.253 1.00 0.00 H new ATOM 0 HG3 GLN A 562 3.130 -3.065 11.897 1.00 0.00 H new ATOM 0 HE21 GLN A 562 3.149 -0.101 11.605 1.00 0.00 H new ATOM 0 HE22 GLN A 562 1.448 0.375 11.645 1.00 0.00 H new ATOM 828 N PHE A 563 5.584 0.500 8.825 1.00 0.00 N ATOM 829 CA PHE A 563 6.822 1.206 8.528 1.00 0.00 C ATOM 830 C PHE A 563 8.018 0.582 9.266 1.00 0.00 C ATOM 831 O PHE A 563 9.033 0.272 8.638 1.00 0.00 O ATOM 832 CB PHE A 563 6.673 2.687 8.889 1.00 0.00 C ATOM 833 CG PHE A 563 7.833 3.541 8.468 1.00 0.00 C ATOM 834 CD1 PHE A 563 8.441 3.353 7.238 1.00 0.00 C ATOM 835 CD2 PHE A 563 8.303 4.545 9.297 1.00 0.00 C ATOM 836 CE1 PHE A 563 9.495 4.150 6.845 1.00 0.00 C ATOM 837 CE2 PHE A 563 9.361 5.342 8.911 1.00 0.00 C ATOM 838 CZ PHE A 563 9.958 5.146 7.682 1.00 0.00 C ATOM 0 H PHE A 563 4.852 1.090 9.221 1.00 0.00 H new ATOM 0 HA PHE A 563 7.019 1.118 7.460 1.00 0.00 H new ATOM 0 HB2 PHE A 563 5.765 3.073 8.426 1.00 0.00 H new ATOM 0 HB3 PHE A 563 6.543 2.776 9.968 1.00 0.00 H new ATOM 0 HD1 PHE A 563 8.086 2.574 6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 563 7.836 4.706 10.257 1.00 0.00 H new ATOM 0 HE1 PHE A 563 9.959 3.995 5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 563 9.722 6.118 9.570 1.00 0.00 H new ATOM 0 HZ PHE A 563 10.785 5.770 7.376 1.00 0.00 H new ATOM 848 N PRO A 564 7.917 0.356 10.599 1.00 0.00 N ATOM 849 CA PRO A 564 9.013 -0.230 11.387 1.00 0.00 C ATOM 850 C PRO A 564 9.370 -1.645 10.940 1.00 0.00 C ATOM 851 O PRO A 564 10.456 -2.141 11.231 1.00 0.00 O ATOM 852 CB PRO A 564 8.466 -0.249 12.819 1.00 0.00 C ATOM 853 CG PRO A 564 6.989 -0.187 12.661 1.00 0.00 C ATOM 854 CD PRO A 564 6.748 0.652 11.447 1.00 0.00 C ATOM 0 HA PRO A 564 9.933 0.344 11.275 1.00 0.00 H new ATOM 0 HB2 PRO A 564 8.770 -1.153 13.347 1.00 0.00 H new ATOM 0 HB3 PRO A 564 8.838 0.597 13.396 1.00 0.00 H new ATOM 0 HG2 PRO A 564 6.566 -1.184 12.538 1.00 0.00 H new ATOM 0 HG3 PRO A 564 6.519 0.253 13.541 1.00 0.00 H new ATOM 0 HD2 PRO A 564 5.814 0.387 10.952 1.00 0.00 H new ATOM 0 HD3 PRO A 564 6.688 1.712 11.695 1.00 0.00 H new ATOM 862 N GLU A 565 8.471 -2.277 10.195 1.00 0.00 N ATOM 863 CA GLU A 565 8.694 -3.624 9.688 1.00 0.00 C ATOM 864 C GLU A 565 9.470 -3.599 8.373 1.00 0.00 C ATOM 865 O GLU A 565 10.143 -4.565 8.014 1.00 0.00 O ATOM 866 CB GLU A 565 7.360 -4.348 9.516 1.00 0.00 C ATOM 867 CG GLU A 565 6.618 -4.574 10.823 1.00 0.00 C ATOM 868 CD GLU A 565 7.351 -5.513 11.758 1.00 0.00 C ATOM 869 OE1 GLU A 565 7.241 -6.745 11.576 1.00 0.00 O ATOM 870 OE2 GLU A 565 8.034 -5.030 12.682 1.00 0.00 O ATOM 0 H GLU A 565 7.573 -1.873 9.927 1.00 0.00 H new ATOM 0 HA GLU A 565 9.297 -4.167 10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 565 6.726 -3.770 8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 565 7.538 -5.311 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 565 6.468 -3.616 11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 565 5.629 -4.980 10.609 1.00 0.00 H new ATOM 877 N VAL A 566 9.350 -2.502 7.647 1.00 0.00 N ATOM 878 CA VAL A 566 10.073 -2.352 6.393 1.00 0.00 C ATOM 879 C VAL A 566 11.535 -1.984 6.656 1.00 0.00 C ATOM 880 O VAL A 566 12.445 -2.540 6.040 1.00 0.00 O ATOM 881 CB VAL A 566 9.407 -1.311 5.466 1.00 0.00 C ATOM 882 CG1 VAL A 566 10.307 -0.981 4.283 1.00 0.00 C ATOM 883 CG2 VAL A 566 8.058 -1.827 4.976 1.00 0.00 C ATOM 0 H VAL A 566 8.764 -1.706 7.900 1.00 0.00 H new ATOM 0 HA VAL A 566 10.041 -3.313 5.880 1.00 0.00 H new ATOM 0 HB VAL A 566 9.249 -0.397 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 566 9.815 -0.246 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 566 11.250 -0.573 4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 566 10.501 -1.887 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 566 7.599 -1.084 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 566 8.202 -2.755 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 566 7.407 -2.011 5.830 1.00 0.00 H new ATOM 893 N ILE A 567 11.748 -1.063 7.595 1.00 0.00 N ATOM 894 CA ILE A 567 13.098 -0.593 7.937 1.00 0.00 C ATOM 895 C ILE A 567 13.995 -1.748 8.375 1.00 0.00 C ATOM 896 O ILE A 567 15.196 -1.767 8.093 1.00 0.00 O ATOM 897 CB ILE A 567 13.067 0.454 9.068 1.00 0.00 C ATOM 898 CG1 ILE A 567 11.912 1.430 8.859 1.00 0.00 C ATOM 899 CG2 ILE A 567 14.389 1.207 9.125 1.00 0.00 C ATOM 900 CD1 ILE A 567 11.946 2.126 7.520 1.00 0.00 C ATOM 0 H ILE A 567 11.003 -0.624 8.136 1.00 0.00 H new ATOM 0 HA ILE A 567 13.501 -0.137 7.033 1.00 0.00 H new ATOM 0 HB ILE A 567 12.917 -0.063 10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.969 0.891 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 567 11.933 2.180 9.650 1.00 0.00 H new ATOM 0 HG21 ILE A 567 14.354 1.943 9.928 1.00 0.00 H new ATOM 0 HG22 ILE A 567 15.200 0.504 9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 567 14.560 1.714 8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 567 11.096 2.804 7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 567 12.872 2.693 7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 567 11.894 1.384 6.723 1.00 0.00 H new ATOM 912 N LYS A 568 13.391 -2.724 9.028 1.00 0.00 N ATOM 913 CA LYS A 568 14.150 -3.874 9.495 1.00 0.00 C ATOM 914 C LYS A 568 14.502 -4.800 8.346 1.00 0.00 C ATOM 915 O LYS A 568 15.597 -5.344 8.304 1.00 0.00 O ATOM 916 CB LYS A 568 13.425 -4.619 10.612 1.00 0.00 C ATOM 917 CG LYS A 568 12.025 -5.052 10.255 1.00 0.00 C ATOM 918 CD LYS A 568 11.307 -5.652 11.451 1.00 0.00 C ATOM 919 CE LYS A 568 11.283 -4.682 12.624 1.00 0.00 C ATOM 920 NZ LYS A 568 10.447 -5.170 13.748 1.00 0.00 N ATOM 0 H LYS A 568 12.395 -2.747 9.245 1.00 0.00 H new ATOM 0 HA LYS A 568 15.082 -3.498 9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 568 14.008 -5.499 10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 568 13.382 -3.979 11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 568 11.462 -4.196 9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 568 12.064 -5.783 9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 568 10.286 -5.914 11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 568 11.803 -6.576 11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 568 12.301 -4.519 12.977 1.00 0.00 H new ATOM 0 HE3 LYS A 568 10.904 -3.717 12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 10.785 -4.753 14.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 9.457 -4.894 13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 10.512 -6.206 13.805 1.00 0.00 H new ATOM 934 N TYR A 569 13.592 -4.948 7.391 1.00 0.00 N ATOM 935 CA TYR A 569 13.803 -5.840 6.262 1.00 0.00 C ATOM 936 C TYR A 569 14.992 -5.363 5.444 1.00 0.00 C ATOM 937 O TYR A 569 15.832 -6.158 5.026 1.00 0.00 O ATOM 938 CB TYR A 569 12.547 -5.900 5.386 1.00 0.00 C ATOM 939 CG TYR A 569 12.618 -6.928 4.275 1.00 0.00 C ATOM 940 CD1 TYR A 569 13.213 -6.630 3.055 1.00 0.00 C ATOM 941 CD2 TYR A 569 12.083 -8.196 4.450 1.00 0.00 C ATOM 942 CE1 TYR A 569 13.271 -7.568 2.040 1.00 0.00 C ATOM 943 CE2 TYR A 569 12.137 -9.141 3.444 1.00 0.00 C ATOM 944 CZ TYR A 569 12.732 -8.823 2.240 1.00 0.00 C ATOM 945 OH TYR A 569 12.786 -9.763 1.235 1.00 0.00 O ATOM 0 H TYR A 569 12.697 -4.458 7.378 1.00 0.00 H new ATOM 0 HA TYR A 569 14.009 -6.842 6.638 1.00 0.00 H new ATOM 0 HB2 TYR A 569 11.687 -6.122 6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 569 12.376 -4.917 4.947 1.00 0.00 H new ATOM 0 HD1 TYR A 569 13.637 -5.650 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 569 11.616 -8.449 5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 569 13.735 -7.320 1.097 1.00 0.00 H new ATOM 0 HE2 TYR A 569 11.716 -10.123 3.599 1.00 0.00 H new ATOM 0 HH TYR A 569 12.363 -10.593 1.540 1.00 0.00 H new ATOM 955 N LEU A 570 15.066 -4.054 5.254 1.00 0.00 N ATOM 956 CA LEU A 570 16.131 -3.449 4.472 1.00 0.00 C ATOM 957 C LEU A 570 17.459 -3.591 5.201 1.00 0.00 C ATOM 958 O LEU A 570 18.500 -3.806 4.591 1.00 0.00 O ATOM 959 CB LEU A 570 15.823 -1.973 4.223 1.00 0.00 C ATOM 960 CG LEU A 570 14.406 -1.678 3.725 1.00 0.00 C ATOM 961 CD1 LEU A 570 14.240 -0.200 3.435 1.00 0.00 C ATOM 962 CD2 LEU A 570 14.081 -2.504 2.492 1.00 0.00 C ATOM 0 H LEU A 570 14.395 -3.387 5.635 1.00 0.00 H new ATOM 0 HA LEU A 570 16.200 -3.961 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 570 15.987 -1.423 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 570 16.535 -1.588 3.493 1.00 0.00 H new ATOM 0 HG LEU A 570 13.706 -1.956 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 570 13.226 -0.010 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 570 14.421 0.372 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 570 14.954 0.103 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 570 13.069 -2.276 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 570 14.788 -2.265 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 570 14.153 -3.564 2.735 1.00 0.00 H new ATOM 974 N SER A 571 17.403 -3.475 6.516 1.00 0.00 N ATOM 975 CA SER A 571 18.592 -3.575 7.344 1.00 0.00 C ATOM 976 C SER A 571 19.093 -5.020 7.419 1.00 0.00 C ATOM 977 O SER A 571 20.289 -5.284 7.304 1.00 0.00 O ATOM 978 CB SER A 571 18.277 -3.055 8.745 1.00 0.00 C ATOM 979 OG SER A 571 17.817 -1.711 8.707 1.00 0.00 O ATOM 0 H SER A 571 16.541 -3.310 7.036 1.00 0.00 H new ATOM 0 HA SER A 571 19.381 -2.971 6.896 1.00 0.00 H new ATOM 0 HB2 SER A 571 17.520 -3.688 9.208 1.00 0.00 H new ATOM 0 HB3 SER A 571 19.169 -3.118 9.368 1.00 0.00 H new ATOM 0 HG SER A 571 16.850 -1.701 8.547 1.00 0.00 H new ATOM 985 N ARG A 572 18.164 -5.950 7.593 1.00 0.00 N ATOM 986 CA ARG A 572 18.497 -7.358 7.796 1.00 0.00 C ATOM 987 C ARG A 572 18.875 -8.046 6.489 1.00 0.00 C ATOM 988 O ARG A 572 19.652 -9.003 6.481 1.00 0.00 O ATOM 989 CB ARG A 572 17.311 -8.072 8.450 1.00 0.00 C ATOM 990 CG ARG A 572 16.985 -7.513 9.824 1.00 0.00 C ATOM 991 CD ARG A 572 15.648 -8.001 10.360 1.00 0.00 C ATOM 992 NE ARG A 572 15.423 -7.531 11.727 1.00 0.00 N ATOM 993 CZ ARG A 572 14.369 -7.857 12.475 1.00 0.00 C ATOM 994 NH1 ARG A 572 13.426 -8.660 11.999 1.00 0.00 N ATOM 995 NH2 ARG A 572 14.255 -7.371 13.701 1.00 0.00 N ATOM 0 H ARG A 572 17.163 -5.754 7.598 1.00 0.00 H new ATOM 0 HA ARG A 572 19.366 -7.411 8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 572 16.436 -7.981 7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 572 17.534 -9.136 8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 572 17.774 -7.793 10.521 1.00 0.00 H new ATOM 0 HG3 ARG A 572 16.975 -6.424 9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 572 14.844 -7.648 9.714 1.00 0.00 H new ATOM 0 HD3 ARG A 572 15.620 -9.090 10.338 1.00 0.00 H new ATOM 0 HE ARG A 572 16.121 -6.910 12.136 1.00 0.00 H new ATOM 0 HH11 ARG A 572 13.504 -9.034 11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 572 12.623 -8.904 12.579 1.00 0.00 H new ATOM 0 HH21 ARG A 572 14.973 -6.748 14.072 1.00 0.00 H new ATOM 0 HH22 ARG A 572 13.449 -7.619 14.275 1.00 0.00 H new ATOM 1009 N ASN A 573 18.338 -7.552 5.388 1.00 0.00 N ATOM 1010 CA ASN A 573 18.580 -8.156 4.085 1.00 0.00 C ATOM 1011 C ASN A 573 19.356 -7.195 3.199 1.00 0.00 C ATOM 1012 O ASN A 573 19.739 -6.112 3.639 1.00 0.00 O ATOM 1013 CB ASN A 573 17.253 -8.537 3.425 1.00 0.00 C ATOM 1014 CG ASN A 573 16.468 -9.549 4.240 1.00 0.00 C ATOM 1015 OD1 ASN A 573 16.587 -10.760 4.041 1.00 0.00 O ATOM 1016 ND2 ASN A 573 15.671 -9.060 5.179 1.00 0.00 N ATOM 0 H ASN A 573 17.730 -6.733 5.368 1.00 0.00 H new ATOM 0 HA ASN A 573 19.173 -9.061 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 573 16.649 -7.640 3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 573 17.448 -8.946 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 573 15.129 -9.692 5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 573 15.600 -8.051 5.313 1.00 0.00 H new ATOM 1023 N VAL A 574 19.599 -7.585 1.957 1.00 0.00 N ATOM 1024 CA VAL A 574 20.340 -6.735 1.037 1.00 0.00 C ATOM 1025 C VAL A 574 19.420 -6.140 -0.017 1.00 0.00 C ATOM 1026 O VAL A 574 18.812 -6.862 -0.810 1.00 0.00 O ATOM 1027 CB VAL A 574 21.477 -7.512 0.343 1.00 0.00 C ATOM 1028 CG1 VAL A 574 22.233 -6.619 -0.631 1.00 0.00 C ATOM 1029 CG2 VAL A 574 22.423 -8.094 1.378 1.00 0.00 C ATOM 0 H VAL A 574 19.297 -8.477 1.565 1.00 0.00 H new ATOM 0 HA VAL A 574 20.776 -5.930 1.628 1.00 0.00 H new ATOM 0 HB VAL A 574 21.035 -8.330 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 574 23.029 -7.192 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 574 21.547 -6.249 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 574 22.665 -5.776 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 574 23.221 -8.640 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 574 22.853 -7.288 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 574 21.875 -8.773 2.031 1.00 0.00 H new ATOM 1039 N VAL A 575 19.327 -4.818 -0.017 1.00 0.00 N ATOM 1040 CA VAL A 575 18.525 -4.092 -0.989 1.00 0.00 C ATOM 1041 C VAL A 575 19.238 -2.790 -1.348 1.00 0.00 C ATOM 1042 O VAL A 575 19.790 -2.122 -0.475 1.00 0.00 O ATOM 1043 CB VAL A 575 17.110 -3.760 -0.447 1.00 0.00 C ATOM 1044 CG1 VAL A 575 16.234 -3.188 -1.545 1.00 0.00 C ATOM 1045 CG2 VAL A 575 16.437 -4.979 0.164 1.00 0.00 C ATOM 0 H VAL A 575 19.805 -4.220 0.657 1.00 0.00 H new ATOM 0 HA VAL A 575 18.406 -4.728 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 575 17.236 -3.014 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 575 15.247 -2.963 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 575 16.685 -2.274 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 575 16.140 -3.915 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 575 15.449 -4.703 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 575 16.339 -5.758 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 575 17.041 -5.351 0.992 1.00 0.00 H new ATOM 1055 N HIS A 576 19.243 -2.434 -2.621 1.00 0.00 N ATOM 1056 CA HIS A 576 19.915 -1.213 -3.059 1.00 0.00 C ATOM 1057 C HIS A 576 19.004 -0.356 -3.932 1.00 0.00 C ATOM 1058 O HIS A 576 19.076 0.875 -3.900 1.00 0.00 O ATOM 1059 CB HIS A 576 21.211 -1.547 -3.813 1.00 0.00 C ATOM 1060 CG HIS A 576 21.016 -2.421 -5.019 1.00 0.00 C ATOM 1061 ND1 HIS A 576 20.928 -1.892 -6.283 1.00 0.00 N ATOM 1062 CD2 HIS A 576 20.904 -3.769 -5.096 1.00 0.00 C ATOM 1063 CE1 HIS A 576 20.766 -2.922 -7.097 1.00 0.00 C ATOM 1064 NE2 HIS A 576 20.745 -4.079 -6.422 1.00 0.00 N ATOM 0 H HIS A 576 18.795 -2.965 -3.368 1.00 0.00 H new ATOM 0 HA HIS A 576 20.165 -0.639 -2.167 1.00 0.00 H new ATOM 0 HB2 HIS A 576 21.686 -0.617 -4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 576 21.899 -2.042 -3.128 1.00 0.00 H new ATOM 0 HD2 HIS A 576 20.934 -4.466 -4.271 1.00 0.00 H new ATOM 0 HE1 HIS A 576 20.664 -2.841 -8.169 1.00 0.00 H new ATOM 0 HE2 HIS A 576 20.632 -5.012 -6.819 1.00 0.00 H new ATOM 1072 N SER A 577 18.140 -1.013 -4.692 1.00 0.00 N ATOM 1073 CA SER A 577 17.266 -0.332 -5.634 1.00 0.00 C ATOM 1074 C SER A 577 16.196 0.480 -4.916 1.00 0.00 C ATOM 1075 O SER A 577 15.884 1.603 -5.306 1.00 0.00 O ATOM 1076 CB SER A 577 16.615 -1.364 -6.550 1.00 0.00 C ATOM 1077 OG SER A 577 15.979 -2.385 -5.796 1.00 0.00 O ATOM 0 H SER A 577 18.026 -2.026 -4.673 1.00 0.00 H new ATOM 0 HA SER A 577 17.866 0.362 -6.223 1.00 0.00 H new ATOM 0 HB2 SER A 577 15.885 -0.874 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 577 17.370 -1.805 -7.201 1.00 0.00 H new ATOM 0 HG SER A 577 15.470 -2.967 -6.398 1.00 0.00 H new ATOM 1083 N VAL A 578 15.645 -0.098 -3.865 1.00 0.00 N ATOM 1084 CA VAL A 578 14.591 0.556 -3.111 1.00 0.00 C ATOM 1085 C VAL A 578 14.966 0.736 -1.648 1.00 0.00 C ATOM 1086 O VAL A 578 15.492 -0.175 -1.007 1.00 0.00 O ATOM 1087 CB VAL A 578 13.257 -0.211 -3.235 1.00 0.00 C ATOM 1088 CG1 VAL A 578 12.618 0.061 -4.585 1.00 0.00 C ATOM 1089 CG2 VAL A 578 13.469 -1.707 -3.061 1.00 0.00 C ATOM 0 H VAL A 578 15.909 -1.018 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 578 14.461 1.548 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 578 12.594 0.139 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 578 11.678 -0.486 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 578 12.426 1.129 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 578 13.291 -0.265 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 578 12.513 -2.223 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 578 14.152 -2.069 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 578 13.893 -1.902 -2.076 1.00 0.00 H new ATOM 1099 N ARG A 579 14.733 1.936 -1.138 1.00 0.00 N ATOM 1100 CA ARG A 579 14.981 2.248 0.260 1.00 0.00 C ATOM 1101 C ARG A 579 13.647 2.532 0.923 1.00 0.00 C ATOM 1102 O ARG A 579 12.624 2.526 0.244 1.00 0.00 O ATOM 1103 CB ARG A 579 15.914 3.455 0.403 1.00 0.00 C ATOM 1104 CG ARG A 579 17.124 3.412 -0.516 1.00 0.00 C ATOM 1105 CD ARG A 579 17.833 2.068 -0.451 1.00 0.00 C ATOM 1106 NE ARG A 579 18.371 1.771 0.877 1.00 0.00 N ATOM 1107 CZ ARG A 579 18.347 0.559 1.433 1.00 0.00 C ATOM 1108 NH1 ARG A 579 17.688 -0.435 0.851 1.00 0.00 N ATOM 1109 NH2 ARG A 579 18.950 0.349 2.594 1.00 0.00 N ATOM 0 H ARG A 579 14.368 2.719 -1.681 1.00 0.00 H new ATOM 0 HA ARG A 579 15.472 1.402 0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 579 15.349 4.365 0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 579 16.257 3.516 1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 579 16.809 3.608 -1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 579 17.820 4.204 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 579 17.136 1.281 -0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 579 18.645 2.056 -1.178 1.00 0.00 H new ATOM 0 HE ARG A 579 18.789 2.535 1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 579 17.195 -0.275 -0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 579 17.674 -1.359 1.282 1.00 0.00 H new ATOM 0 HH21 ARG A 579 19.433 1.115 3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 579 18.931 -0.578 3.018 1.00 0.00 H new ATOM 1123 N ARG A 580 13.639 2.773 2.232 1.00 0.00 N ATOM 1124 CA ARG A 580 12.394 2.986 2.965 1.00 0.00 C ATOM 1125 C ARG A 580 11.531 4.076 2.324 1.00 0.00 C ATOM 1126 O ARG A 580 10.306 4.011 2.391 1.00 0.00 O ATOM 1127 CB ARG A 580 12.646 3.318 4.438 1.00 0.00 C ATOM 1128 CG ARG A 580 13.476 4.563 4.678 1.00 0.00 C ATOM 1129 CD ARG A 580 14.947 4.227 4.834 1.00 0.00 C ATOM 1130 NE ARG A 580 15.741 5.385 5.234 1.00 0.00 N ATOM 1131 CZ ARG A 580 16.878 5.299 5.923 1.00 0.00 C ATOM 1132 NH1 ARG A 580 17.349 4.112 6.292 1.00 0.00 N ATOM 1133 NH2 ARG A 580 17.548 6.398 6.233 1.00 0.00 N ATOM 0 H ARG A 580 14.480 2.826 2.806 1.00 0.00 H new ATOM 0 HA ARG A 580 11.848 2.044 2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 580 11.685 3.438 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 580 13.146 2.470 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 580 13.346 5.255 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 580 13.121 5.072 5.574 1.00 0.00 H new ATOM 0 HD2 ARG A 580 15.060 3.438 5.577 1.00 0.00 H new ATOM 0 HD3 ARG A 580 15.330 3.835 3.892 1.00 0.00 H new ATOM 0 HE ARG A 580 15.406 6.312 4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 580 16.840 3.263 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 580 18.220 4.050 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 580 17.194 7.310 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 580 18.419 6.333 6.761 1.00 0.00 H new ATOM 1147 N GLU A 581 12.163 5.075 1.702 1.00 0.00 N ATOM 1148 CA GLU A 581 11.453 6.156 1.020 1.00 0.00 C ATOM 1149 C GLU A 581 10.577 5.673 -0.140 1.00 0.00 C ATOM 1150 O GLU A 581 9.594 6.326 -0.489 1.00 0.00 O ATOM 1151 CB GLU A 581 12.463 7.187 0.510 1.00 0.00 C ATOM 1152 CG GLU A 581 13.449 6.634 -0.509 1.00 0.00 C ATOM 1153 CD GLU A 581 14.641 7.545 -0.721 1.00 0.00 C ATOM 1154 OE1 GLU A 581 15.607 7.453 0.060 1.00 0.00 O ATOM 1155 OE2 GLU A 581 14.618 8.359 -1.666 1.00 0.00 O ATOM 0 H GLU A 581 13.179 5.156 1.658 1.00 0.00 H new ATOM 0 HA GLU A 581 10.780 6.603 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 581 11.922 8.020 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 581 13.018 7.587 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 581 13.798 5.656 -0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 581 12.937 6.484 -1.460 1.00 0.00 H new ATOM 1162 N HIS A 582 10.938 4.543 -0.731 1.00 0.00 N ATOM 1163 CA HIS A 582 10.208 4.001 -1.876 1.00 0.00 C ATOM 1164 C HIS A 582 8.943 3.288 -1.422 1.00 0.00 C ATOM 1165 O HIS A 582 8.080 2.939 -2.226 1.00 0.00 O ATOM 1166 CB HIS A 582 11.100 3.060 -2.684 1.00 0.00 C ATOM 1167 CG HIS A 582 12.196 3.773 -3.417 1.00 0.00 C ATOM 1168 ND1 HIS A 582 13.513 3.634 -3.055 1.00 0.00 N ATOM 1169 CD2 HIS A 582 12.115 4.613 -4.477 1.00 0.00 C ATOM 1170 CE1 HIS A 582 14.199 4.386 -3.897 1.00 0.00 C ATOM 1171 NE2 HIS A 582 13.394 5.000 -4.776 1.00 0.00 N ATOM 0 H HIS A 582 11.735 3.979 -0.437 1.00 0.00 H new ATOM 0 HA HIS A 582 9.915 4.831 -2.519 1.00 0.00 H new ATOM 0 HB2 HIS A 582 11.540 2.322 -2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 582 10.487 2.514 -3.401 1.00 0.00 H new ATOM 0 HD2 HIS A 582 11.214 4.919 -4.988 1.00 0.00 H new ATOM 0 HE1 HIS A 582 15.274 4.493 -3.880 1.00 0.00 H new ATOM 0 HE2 HIS A 582 13.679 5.633 -5.523 1.00 0.00 H new ATOM 1179 N PHE A 583 8.847 3.076 -0.123 1.00 0.00 N ATOM 1180 CA PHE A 583 7.703 2.395 0.456 1.00 0.00 C ATOM 1181 C PHE A 583 6.815 3.407 1.162 1.00 0.00 C ATOM 1182 O PHE A 583 7.285 4.182 1.997 1.00 0.00 O ATOM 1183 CB PHE A 583 8.152 1.299 1.427 1.00 0.00 C ATOM 1184 CG PHE A 583 9.136 0.335 0.825 1.00 0.00 C ATOM 1185 CD1 PHE A 583 8.725 -0.625 -0.079 1.00 0.00 C ATOM 1186 CD2 PHE A 583 10.473 0.399 1.159 1.00 0.00 C ATOM 1187 CE1 PHE A 583 9.631 -1.503 -0.637 1.00 0.00 C ATOM 1188 CE2 PHE A 583 11.388 -0.475 0.606 1.00 0.00 C ATOM 1189 CZ PHE A 583 10.965 -1.428 -0.294 1.00 0.00 C ATOM 0 H PHE A 583 9.551 3.367 0.555 1.00 0.00 H new ATOM 0 HA PHE A 583 7.136 1.917 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 583 8.600 1.763 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 583 7.277 0.747 1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 583 7.682 -0.689 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 583 10.809 1.145 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 583 9.296 -2.249 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 583 12.431 -0.412 0.878 1.00 0.00 H new ATOM 0 HZ PHE A 583 11.676 -2.115 -0.730 1.00 0.00 H new ATOM 1199 N SER A 584 5.537 3.410 0.828 1.00 0.00 N ATOM 1200 CA SER A 584 4.606 4.370 1.383 1.00 0.00 C ATOM 1201 C SER A 584 3.335 3.648 1.792 1.00 0.00 C ATOM 1202 O SER A 584 2.800 2.842 1.027 1.00 0.00 O ATOM 1203 CB SER A 584 4.293 5.463 0.357 1.00 0.00 C ATOM 1204 OG SER A 584 3.340 6.386 0.855 1.00 0.00 O ATOM 0 H SER A 584 5.120 2.752 0.170 1.00 0.00 H new ATOM 0 HA SER A 584 5.051 4.844 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 584 5.210 5.991 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 584 3.915 5.007 -0.558 1.00 0.00 H new ATOM 0 HG SER A 584 3.163 7.071 0.177 1.00 0.00 H new ATOM 1210 N PHE A 585 2.851 3.928 2.988 1.00 0.00 N ATOM 1211 CA PHE A 585 1.683 3.241 3.505 1.00 0.00 C ATOM 1212 C PHE A 585 0.456 4.138 3.493 1.00 0.00 C ATOM 1213 O PHE A 585 -0.646 3.705 3.835 1.00 0.00 O ATOM 1214 CB PHE A 585 1.951 2.714 4.911 1.00 0.00 C ATOM 1215 CG PHE A 585 2.845 1.510 4.921 1.00 0.00 C ATOM 1216 CD1 PHE A 585 2.387 0.310 4.417 1.00 0.00 C ATOM 1217 CD2 PHE A 585 4.135 1.574 5.421 1.00 0.00 C ATOM 1218 CE1 PHE A 585 3.187 -0.807 4.410 1.00 0.00 C ATOM 1219 CE2 PHE A 585 4.945 0.453 5.418 1.00 0.00 C ATOM 1220 CZ PHE A 585 4.466 -0.740 4.910 1.00 0.00 C ATOM 0 H PHE A 585 3.248 4.625 3.618 1.00 0.00 H new ATOM 0 HA PHE A 585 1.478 2.395 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 585 2.406 3.503 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 585 1.003 2.461 5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 585 1.384 0.248 4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 585 4.511 2.506 5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 585 2.811 -1.738 4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 585 5.949 0.510 5.812 1.00 0.00 H new ATOM 0 HZ PHE A 585 5.095 -1.618 4.906 1.00 0.00 H new ATOM 1230 N SER A 586 0.655 5.388 3.113 1.00 0.00 N ATOM 1231 CA SER A 586 -0.446 6.315 2.930 1.00 0.00 C ATOM 1232 C SER A 586 -1.395 5.819 1.835 1.00 0.00 C ATOM 1233 O SER A 586 -0.999 5.675 0.675 1.00 0.00 O ATOM 1234 CB SER A 586 0.107 7.692 2.568 1.00 0.00 C ATOM 1235 OG SER A 586 1.040 8.131 3.541 1.00 0.00 O ATOM 0 H SER A 586 1.575 5.785 2.924 1.00 0.00 H new ATOM 0 HA SER A 586 -1.010 6.384 3.860 1.00 0.00 H new ATOM 0 HB2 SER A 586 0.587 7.651 1.590 1.00 0.00 H new ATOM 0 HB3 SER A 586 -0.711 8.409 2.492 1.00 0.00 H new ATOM 0 HG SER A 586 1.384 9.014 3.290 1.00 0.00 H new ATOM 1241 N PRO A 587 -2.667 5.550 2.188 1.00 0.00 N ATOM 1242 CA PRO A 587 -3.672 5.063 1.236 1.00 0.00 C ATOM 1243 C PRO A 587 -4.168 6.166 0.312 1.00 0.00 C ATOM 1244 O PRO A 587 -5.132 5.988 -0.424 1.00 0.00 O ATOM 1245 CB PRO A 587 -4.803 4.581 2.139 1.00 0.00 C ATOM 1246 CG PRO A 587 -4.708 5.466 3.329 1.00 0.00 C ATOM 1247 CD PRO A 587 -3.233 5.688 3.545 1.00 0.00 C ATOM 0 HA PRO A 587 -3.274 4.292 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -5.772 4.672 1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -4.680 3.532 2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -5.227 6.410 3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -5.168 5.002 4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -3.032 6.673 3.967 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -2.812 4.955 4.233 1.00 0.00 H new ATOM 1255 N ARG A 588 -3.497 7.307 0.353 1.00 0.00 N ATOM 1256 CA ARG A 588 -3.804 8.415 -0.525 1.00 0.00 C ATOM 1257 C ARG A 588 -2.824 8.409 -1.686 1.00 0.00 C ATOM 1258 O ARG A 588 -2.846 9.282 -2.552 1.00 0.00 O ATOM 1259 CB ARG A 588 -3.732 9.732 0.248 1.00 0.00 C ATOM 1260 CG ARG A 588 -4.637 9.750 1.471 1.00 0.00 C ATOM 1261 CD ARG A 588 -4.669 11.113 2.131 1.00 0.00 C ATOM 1262 NE ARG A 588 -3.417 11.430 2.803 1.00 0.00 N ATOM 1263 CZ ARG A 588 -3.290 12.392 3.708 1.00 0.00 C ATOM 1264 NH1 ARG A 588 -4.334 13.151 4.024 1.00 0.00 N ATOM 1265 NH2 ARG A 588 -2.118 12.597 4.294 1.00 0.00 N ATOM 0 H ARG A 588 -2.726 7.486 0.997 1.00 0.00 H new ATOM 0 HA ARG A 588 -4.817 8.312 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 588 -2.703 9.908 0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 588 -4.008 10.552 -0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 588 -5.648 9.464 1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 588 -4.291 9.007 2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 588 -4.878 11.874 1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 588 -5.485 11.146 2.853 1.00 0.00 H new ATOM 0 HE ARG A 588 -2.591 10.882 2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 588 -5.234 12.994 3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 588 -4.235 13.890 4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 588 -1.317 12.016 4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 588 -2.018 13.336 4.990 1.00 0.00 H new ATOM 1279 N MET A 589 -1.958 7.405 -1.674 1.00 0.00 N ATOM 1280 CA MET A 589 -1.010 7.184 -2.751 1.00 0.00 C ATOM 1281 C MET A 589 -1.569 6.170 -3.742 1.00 0.00 C ATOM 1282 O MET A 589 -1.563 4.966 -3.476 1.00 0.00 O ATOM 1283 CB MET A 589 0.322 6.682 -2.191 1.00 0.00 C ATOM 1284 CG MET A 589 1.405 6.563 -3.235 1.00 0.00 C ATOM 1285 SD MET A 589 1.813 8.137 -4.010 1.00 0.00 S ATOM 1286 CE MET A 589 2.530 9.018 -2.627 1.00 0.00 C ATOM 0 H MET A 589 -1.895 6.723 -0.918 1.00 0.00 H new ATOM 0 HA MET A 589 -0.842 8.130 -3.266 1.00 0.00 H new ATOM 0 HB2 MET A 589 0.657 7.361 -1.407 1.00 0.00 H new ATOM 0 HB3 MET A 589 0.168 5.709 -1.725 1.00 0.00 H new ATOM 0 HG2 MET A 589 2.302 6.148 -2.775 1.00 0.00 H new ATOM 0 HG3 MET A 589 1.086 5.858 -4.003 1.00 0.00 H new ATOM 0 HE1 MET A 589 2.946 9.964 -2.974 1.00 0.00 H new ATOM 0 HE2 MET A 589 1.760 9.212 -1.881 1.00 0.00 H new ATOM 0 HE3 MET A 589 3.322 8.415 -2.183 1.00 0.00 H new ATOM 1296 N PRO A 590 -2.065 6.641 -4.892 1.00 0.00 N ATOM 1297 CA PRO A 590 -2.684 5.781 -5.897 1.00 0.00 C ATOM 1298 C PRO A 590 -1.658 5.084 -6.785 1.00 0.00 C ATOM 1299 O PRO A 590 -1.535 5.391 -7.972 1.00 0.00 O ATOM 1300 CB PRO A 590 -3.525 6.762 -6.710 1.00 0.00 C ATOM 1301 CG PRO A 590 -2.795 8.061 -6.621 1.00 0.00 C ATOM 1302 CD PRO A 590 -2.062 8.059 -5.305 1.00 0.00 C ATOM 0 HA PRO A 590 -3.256 4.968 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -3.623 6.434 -7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -4.534 6.847 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -2.098 8.170 -7.452 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -3.490 8.899 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -1.047 8.440 -5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -2.562 8.689 -4.570 1.00 0.00 H new ATOM 1310 N VAL A 591 -0.916 4.149 -6.211 1.00 0.00 N ATOM 1311 CA VAL A 591 0.154 3.499 -6.949 1.00 0.00 C ATOM 1312 C VAL A 591 -0.166 2.065 -7.363 1.00 0.00 C ATOM 1313 O VAL A 591 -0.374 1.822 -8.549 1.00 0.00 O ATOM 1314 CB VAL A 591 1.485 3.578 -6.185 1.00 0.00 C ATOM 1315 CG1 VAL A 591 2.564 2.773 -6.885 1.00 0.00 C ATOM 1316 CG2 VAL A 591 1.900 5.028 -6.087 1.00 0.00 C ATOM 0 H VAL A 591 -1.033 3.827 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 591 0.255 4.058 -7.879 1.00 0.00 H new ATOM 0 HB VAL A 591 1.352 3.157 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 591 3.495 2.846 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 591 2.258 1.729 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 591 2.715 3.165 -7.891 1.00 0.00 H new ATOM 0 HG21 VAL A 591 2.844 5.101 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 591 2.023 5.440 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 591 1.133 5.591 -5.555 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.225 1.106 -6.434 1.00 0.00 N ATOM 1327 CA GLY A 592 -0.358 -0.277 -6.843 1.00 0.00 C ATOM 1328 C GLY A 592 -1.798 -0.708 -6.965 1.00 0.00 C ATOM 1329 O GLY A 592 -2.493 -0.318 -7.901 1.00 0.00 O ATOM 0 H GLY A 592 -0.184 1.263 -5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 592 0.143 -0.419 -7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 592 0.149 -0.916 -6.120 1.00 0.00 H new ATOM 1333 N ASP A 593 -2.256 -1.497 -6.012 1.00 0.00 N ATOM 1334 CA ASP A 593 -3.595 -2.030 -6.062 1.00 0.00 C ATOM 1335 C ASP A 593 -4.461 -1.414 -4.979 1.00 0.00 C ATOM 1336 O ASP A 593 -4.022 -1.204 -3.858 1.00 0.00 O ATOM 1337 CB ASP A 593 -3.578 -3.555 -5.926 1.00 0.00 C ATOM 1338 CG ASP A 593 -2.921 -4.246 -7.105 1.00 0.00 C ATOM 1339 OD1 ASP A 593 -3.610 -4.484 -8.120 1.00 0.00 O ATOM 1340 OD2 ASP A 593 -1.712 -4.560 -7.022 1.00 0.00 O ATOM 0 H ASP A 593 -1.716 -1.781 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 593 -4.022 -1.775 -7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -3.050 -3.827 -5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -4.601 -3.917 -5.823 1.00 0.00 H new ATOM 1345 N PHE A 594 -5.677 -1.104 -5.359 1.00 0.00 N ATOM 1346 CA PHE A 594 -6.676 -0.568 -4.436 1.00 0.00 C ATOM 1347 C PHE A 594 -7.912 -1.443 -4.395 1.00 0.00 C ATOM 1348 O PHE A 594 -8.433 -1.843 -5.436 1.00 0.00 O ATOM 1349 CB PHE A 594 -7.069 0.856 -4.825 1.00 0.00 C ATOM 1350 CG PHE A 594 -6.182 1.914 -4.236 1.00 0.00 C ATOM 1351 CD1 PHE A 594 -4.874 2.067 -4.664 1.00 0.00 C ATOM 1352 CD2 PHE A 594 -6.668 2.762 -3.254 1.00 0.00 C ATOM 1353 CE1 PHE A 594 -4.066 3.047 -4.121 1.00 0.00 C ATOM 1354 CE2 PHE A 594 -5.865 3.743 -2.708 1.00 0.00 C ATOM 1355 CZ PHE A 594 -4.562 3.886 -3.141 1.00 0.00 C ATOM 0 H PHE A 594 -6.013 -1.213 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 594 -6.226 -0.554 -3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 594 -7.051 0.944 -5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 594 -8.096 1.039 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 594 -4.482 1.414 -5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 594 -7.687 2.654 -2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 594 -3.047 3.158 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 594 -6.256 4.398 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 594 -3.931 4.652 -2.715 1.00 0.00 H new ATOM 1365 N PHE A 595 -8.372 -1.753 -3.189 1.00 0.00 N ATOM 1366 CA PHE A 595 -9.565 -2.562 -3.012 1.00 0.00 C ATOM 1367 C PHE A 595 -10.518 -1.902 -2.026 1.00 0.00 C ATOM 1368 O PHE A 595 -10.102 -1.133 -1.159 1.00 0.00 O ATOM 1369 CB PHE A 595 -9.194 -3.956 -2.493 1.00 0.00 C ATOM 1370 CG PHE A 595 -8.044 -4.587 -3.222 1.00 0.00 C ATOM 1371 CD1 PHE A 595 -6.743 -4.348 -2.813 1.00 0.00 C ATOM 1372 CD2 PHE A 595 -8.258 -5.407 -4.317 1.00 0.00 C ATOM 1373 CE1 PHE A 595 -5.680 -4.912 -3.479 1.00 0.00 C ATOM 1374 CE2 PHE A 595 -7.192 -5.975 -4.989 1.00 0.00 C ATOM 1375 CZ PHE A 595 -5.902 -5.725 -4.567 1.00 0.00 C ATOM 0 H PHE A 595 -7.933 -1.454 -2.318 1.00 0.00 H new ATOM 0 HA PHE A 595 -10.055 -2.653 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 595 -8.946 -3.885 -1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 595 -10.064 -4.607 -2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 595 -6.561 -3.711 -1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 595 -9.267 -5.604 -4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 595 -4.671 -4.717 -3.148 1.00 0.00 H new ATOM 0 HE2 PHE A 595 -7.368 -6.613 -5.842 1.00 0.00 H new ATOM 0 HZ PHE A 595 -5.067 -6.167 -5.090 1.00 0.00 H new ATOM 1385 N GLU A 596 -11.787 -2.226 -2.166 1.00 0.00 N ATOM 1386 CA GLU A 596 -12.803 -1.759 -1.243 1.00 0.00 C ATOM 1387 C GLU A 596 -13.652 -2.945 -0.810 1.00 0.00 C ATOM 1388 O GLU A 596 -14.134 -3.703 -1.657 1.00 0.00 O ATOM 1389 CB GLU A 596 -13.690 -0.703 -1.906 1.00 0.00 C ATOM 1390 CG GLU A 596 -14.685 -0.068 -0.944 1.00 0.00 C ATOM 1391 CD GLU A 596 -15.791 0.698 -1.640 1.00 0.00 C ATOM 1392 OE1 GLU A 596 -15.586 1.881 -1.967 1.00 0.00 O ATOM 1393 OE2 GLU A 596 -16.882 0.125 -1.843 1.00 0.00 O ATOM 0 H GLU A 596 -12.143 -2.817 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 596 -12.321 -1.305 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 596 -13.059 0.076 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 596 -14.234 -1.161 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 596 -15.128 -0.848 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 596 -14.152 0.607 -0.275 1.00 0.00 H new ATOM 1400 N GLU A 597 -13.813 -3.140 0.490 1.00 0.00 N ATOM 1401 CA GLU A 597 -14.582 -4.259 1.004 1.00 0.00 C ATOM 1402 C GLU A 597 -16.072 -3.994 0.828 1.00 0.00 C ATOM 1403 O GLU A 597 -16.596 -2.981 1.288 1.00 0.00 O ATOM 1404 CB GLU A 597 -14.253 -4.500 2.479 1.00 0.00 C ATOM 1405 CG GLU A 597 -15.166 -5.511 3.151 1.00 0.00 C ATOM 1406 CD GLU A 597 -14.699 -5.892 4.538 1.00 0.00 C ATOM 1407 OE1 GLU A 597 -14.970 -5.132 5.492 1.00 0.00 O ATOM 1408 OE2 GLU A 597 -14.064 -6.957 4.683 1.00 0.00 O ATOM 0 H GLU A 597 -13.419 -2.534 1.210 1.00 0.00 H new ATOM 0 HA GLU A 597 -14.317 -5.154 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 597 -13.222 -4.844 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 597 -14.316 -3.553 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 597 -16.173 -5.099 3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 597 -15.225 -6.407 2.533 1.00 0.00 H new ATOM 1415 N ARG A 598 -16.736 -4.914 0.152 1.00 0.00 N ATOM 1416 CA ARG A 598 -18.139 -4.763 -0.195 1.00 0.00 C ATOM 1417 C ARG A 598 -18.903 -6.040 0.144 1.00 0.00 C ATOM 1418 O ARG A 598 -18.308 -7.117 0.246 1.00 0.00 O ATOM 1419 CB ARG A 598 -18.250 -4.430 -1.695 1.00 0.00 C ATOM 1420 CG ARG A 598 -19.645 -4.578 -2.286 1.00 0.00 C ATOM 1421 CD ARG A 598 -19.664 -4.233 -3.766 1.00 0.00 C ATOM 1422 NE ARG A 598 -20.857 -4.753 -4.437 1.00 0.00 N ATOM 1423 CZ ARG A 598 -21.023 -4.761 -5.761 1.00 0.00 C ATOM 1424 NH1 ARG A 598 -20.122 -4.186 -6.550 1.00 0.00 N ATOM 1425 NH2 ARG A 598 -22.103 -5.324 -6.291 1.00 0.00 N ATOM 0 H ARG A 598 -16.319 -5.787 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 598 -18.580 -3.949 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 598 -17.913 -3.405 -1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 598 -17.568 -5.077 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 598 -19.994 -5.601 -2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 598 -20.338 -3.929 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 598 -19.624 -3.150 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 598 -18.773 -4.640 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 598 -21.606 -5.132 -3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 598 -19.301 -3.737 -6.144 1.00 0.00 H new ATOM 0 HH12 ARG A 598 -20.251 -4.194 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 598 -22.805 -5.750 -5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 598 -22.230 -5.330 -7.303 1.00 0.00 H new ATOM 1439 N ASP A 599 -20.216 -5.925 0.312 1.00 0.00 N ATOM 1440 CA ASP A 599 -21.066 -7.080 0.540 1.00 0.00 C ATOM 1441 C ASP A 599 -21.704 -7.542 -0.753 1.00 0.00 C ATOM 1442 O ASP A 599 -22.154 -6.737 -1.569 1.00 0.00 O ATOM 1443 CB ASP A 599 -22.150 -6.761 1.574 1.00 0.00 C ATOM 1444 CG ASP A 599 -23.063 -5.631 1.143 1.00 0.00 C ATOM 1445 OD1 ASP A 599 -22.694 -4.454 1.346 1.00 0.00 O ATOM 1446 OD2 ASP A 599 -24.154 -5.910 0.602 1.00 0.00 O ATOM 0 H ASP A 599 -20.714 -5.035 0.294 1.00 0.00 H new ATOM 0 HA ASP A 599 -20.440 -7.884 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 599 -22.747 -7.655 1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 599 -21.676 -6.498 2.520 1.00 0.00 H new ATOM 1451 N THR A 600 -21.704 -8.841 -0.944 1.00 0.00 N ATOM 1452 CA THR A 600 -22.297 -9.447 -2.119 1.00 0.00 C ATOM 1453 C THR A 600 -23.225 -10.571 -1.691 1.00 0.00 C ATOM 1454 O THR A 600 -23.162 -11.029 -0.547 1.00 0.00 O ATOM 1455 CB THR A 600 -21.202 -10.010 -3.044 1.00 0.00 C ATOM 1456 OG1 THR A 600 -20.685 -11.220 -2.495 1.00 0.00 O ATOM 1457 CG2 THR A 600 -20.067 -9.018 -3.186 1.00 0.00 C ATOM 0 H THR A 600 -21.294 -9.509 -0.291 1.00 0.00 H new ATOM 0 HA THR A 600 -22.860 -8.688 -2.662 1.00 0.00 H new ATOM 0 HB THR A 600 -21.642 -10.199 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 600 -20.350 -11.052 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A 600 -19.302 -9.432 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 600 -20.447 -8.089 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 600 -19.634 -8.818 -2.206 1.00 0.00 H new ATOM 1465 N PRO A 601 -24.101 -11.026 -2.592 1.00 0.00 N ATOM 1466 CA PRO A 601 -25.007 -12.147 -2.324 1.00 0.00 C ATOM 1467 C PRO A 601 -24.263 -13.450 -2.014 1.00 0.00 C ATOM 1468 O PRO A 601 -24.857 -14.411 -1.525 1.00 0.00 O ATOM 1469 CB PRO A 601 -25.815 -12.271 -3.621 1.00 0.00 C ATOM 1470 CG PRO A 601 -25.008 -11.569 -4.655 1.00 0.00 C ATOM 1471 CD PRO A 601 -24.309 -10.462 -3.933 1.00 0.00 C ATOM 0 HA PRO A 601 -25.622 -11.969 -1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 601 -25.973 -13.316 -3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 601 -26.800 -11.817 -3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 601 -24.293 -12.247 -5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 601 -25.643 -11.179 -5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 601 -23.366 -10.199 -4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 601 -24.913 -9.555 -3.901 1.00 0.00 H new ATOM 1479 N GLU A 602 -22.958 -13.471 -2.281 1.00 0.00 N ATOM 1480 CA GLU A 602 -22.139 -14.635 -1.967 1.00 0.00 C ATOM 1481 C GLU A 602 -21.368 -14.409 -0.666 1.00 0.00 C ATOM 1482 O GLU A 602 -20.885 -15.353 -0.044 1.00 0.00 O ATOM 1483 CB GLU A 602 -21.171 -14.944 -3.118 1.00 0.00 C ATOM 1484 CG GLU A 602 -19.984 -14.002 -3.205 1.00 0.00 C ATOM 1485 CD GLU A 602 -19.023 -14.366 -4.315 1.00 0.00 C ATOM 1486 OE1 GLU A 602 -18.116 -15.193 -4.078 1.00 0.00 O ATOM 1487 OE2 GLU A 602 -19.160 -13.817 -5.428 1.00 0.00 O ATOM 0 H GLU A 602 -22.450 -12.699 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 602 -22.798 -15.493 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 602 -20.803 -15.964 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 602 -21.720 -14.906 -4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 602 -20.344 -12.985 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 602 -19.452 -14.008 -2.254 1.00 0.00 H new ATOM 1494 N GLY A 603 -21.270 -13.150 -0.261 1.00 0.00 N ATOM 1495 CA GLY A 603 -20.560 -12.828 0.952 1.00 0.00 C ATOM 1496 C GLY A 603 -19.722 -11.582 0.835 1.00 0.00 C ATOM 1497 O GLY A 603 -19.846 -10.820 -0.121 1.00 0.00 O ATOM 0 H GLY A 603 -21.670 -12.350 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 603 -21.277 -12.701 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 603 -19.918 -13.666 1.223 1.00 0.00 H new ATOM 1501 N LEU A 604 -18.881 -11.370 1.820 1.00 0.00 N ATOM 1502 CA LEU A 604 -17.971 -10.244 1.818 1.00 0.00 C ATOM 1503 C LEU A 604 -16.726 -10.573 1.014 1.00 0.00 C ATOM 1504 O LEU A 604 -16.034 -11.559 1.282 1.00 0.00 O ATOM 1505 CB LEU A 604 -17.598 -9.850 3.247 1.00 0.00 C ATOM 1506 CG LEU A 604 -18.701 -9.131 4.022 1.00 0.00 C ATOM 1507 CD1 LEU A 604 -18.385 -9.106 5.509 1.00 0.00 C ATOM 1508 CD2 LEU A 604 -18.875 -7.713 3.503 1.00 0.00 C ATOM 0 H LEU A 604 -18.807 -11.969 2.642 1.00 0.00 H new ATOM 0 HA LEU A 604 -18.472 -9.397 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 604 -17.315 -10.749 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 604 -16.718 -9.207 3.214 1.00 0.00 H new ATOM 0 HG LEU A 604 -19.632 -9.678 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 604 -19.183 -8.589 6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 604 -18.302 -10.127 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 604 -17.443 -8.583 5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 604 -19.664 -7.214 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 604 -17.941 -7.164 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 604 -19.145 -7.742 2.447 1.00 0.00 H new ATOM 1520 N GLN A 605 -16.461 -9.747 0.024 1.00 0.00 N ATOM 1521 CA GLN A 605 -15.292 -9.922 -0.824 1.00 0.00 C ATOM 1522 C GLN A 605 -14.663 -8.567 -1.088 1.00 0.00 C ATOM 1523 O GLN A 605 -15.354 -7.543 -1.078 1.00 0.00 O ATOM 1524 CB GLN A 605 -15.645 -10.608 -2.133 1.00 0.00 C ATOM 1525 CG GLN A 605 -16.587 -9.811 -3.003 1.00 0.00 C ATOM 1526 CD GLN A 605 -17.114 -10.640 -4.137 1.00 0.00 C ATOM 1527 OE1 GLN A 605 -18.162 -11.379 -3.852 1.00 0.00 O flip ATOM 1528 NE2 GLN A 605 -16.569 -10.645 -5.239 1.00 0.00 N flip ATOM 0 H GLN A 605 -17.040 -8.943 -0.217 1.00 0.00 H new ATOM 0 HA GLN A 605 -14.581 -10.565 -0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 605 -14.728 -10.803 -2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 605 -16.097 -11.576 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 605 -17.418 -9.444 -2.401 1.00 0.00 H new ATOM 0 HG3 GLN A 605 -16.069 -8.937 -3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 605 -15.757 -10.052 -5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 605 -16.929 -11.242 -5.983 1.00 0.00 H new ATOM 1537 N TRP A 606 -13.360 -8.544 -1.301 1.00 0.00 N ATOM 1538 CA TRP A 606 -12.650 -7.300 -1.504 1.00 0.00 C ATOM 1539 C TRP A 606 -12.656 -6.958 -2.983 1.00 0.00 C ATOM 1540 O TRP A 606 -12.009 -7.633 -3.787 1.00 0.00 O ATOM 1541 CB TRP A 606 -11.215 -7.414 -0.992 1.00 0.00 C ATOM 1542 CG TRP A 606 -11.109 -7.239 0.486 1.00 0.00 C ATOM 1543 CD1 TRP A 606 -11.174 -8.207 1.445 1.00 0.00 C ATOM 1544 CD2 TRP A 606 -10.929 -6.003 1.170 1.00 0.00 C ATOM 1545 NE1 TRP A 606 -11.047 -7.639 2.690 1.00 0.00 N ATOM 1546 CE2 TRP A 606 -10.892 -6.284 2.546 1.00 0.00 C ATOM 1547 CE3 TRP A 606 -10.793 -4.684 0.746 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 -10.726 -5.284 3.503 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 -10.630 -3.698 1.690 1.00 0.00 C ATOM 1550 CH2 TRP A 606 -10.596 -3.997 3.054 1.00 0.00 C ATOM 0 H TRP A 606 -12.773 -9.377 -1.337 1.00 0.00 H new ATOM 0 HA TRP A 606 -13.147 -6.507 -0.946 1.00 0.00 H new ATOM 0 HB2 TRP A 606 -10.813 -8.389 -1.267 1.00 0.00 H new ATOM 0 HB3 TRP A 606 -10.598 -6.664 -1.487 1.00 0.00 H new ATOM 0 HD1 TRP A 606 -11.306 -9.262 1.254 1.00 0.00 H new ATOM 0 HE1 TRP A 606 -11.065 -8.143 3.577 1.00 0.00 H new ATOM 0 HE3 TRP A 606 -10.815 -4.440 -0.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 -10.701 -5.515 4.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 -10.526 -2.672 1.371 1.00 0.00 H new ATOM 0 HH2 TRP A 606 -10.465 -3.198 3.768 1.00 0.00 H new ATOM 1561 N VAL A 607 -13.387 -5.916 -3.343 1.00 0.00 N ATOM 1562 CA VAL A 607 -13.533 -5.542 -4.737 1.00 0.00 C ATOM 1563 C VAL A 607 -12.483 -4.518 -5.125 1.00 0.00 C ATOM 1564 O VAL A 607 -12.327 -3.489 -4.473 1.00 0.00 O ATOM 1565 CB VAL A 607 -14.938 -4.957 -5.007 1.00 0.00 C ATOM 1566 CG1 VAL A 607 -15.128 -4.649 -6.486 1.00 0.00 C ATOM 1567 CG2 VAL A 607 -16.021 -5.908 -4.510 1.00 0.00 C ATOM 0 H VAL A 607 -13.888 -5.315 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 607 -13.401 -6.442 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 607 -15.024 -4.020 -4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 607 -16.125 -4.239 -6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 607 -14.381 -3.923 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 607 -15.015 -5.565 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 607 -17.002 -5.478 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 607 -15.932 -6.863 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 607 -15.904 -6.064 -3.438 1.00 0.00 H new ATOM 1577 N GLN A 608 -11.756 -4.829 -6.181 1.00 0.00 N ATOM 1578 CA GLN A 608 -10.674 -3.982 -6.639 1.00 0.00 C ATOM 1579 C GLN A 608 -11.235 -2.742 -7.322 1.00 0.00 C ATOM 1580 O GLN A 608 -12.170 -2.822 -8.123 1.00 0.00 O ATOM 1581 CB GLN A 608 -9.748 -4.741 -7.593 1.00 0.00 C ATOM 1582 CG GLN A 608 -8.580 -3.904 -8.092 1.00 0.00 C ATOM 1583 CD GLN A 608 -7.594 -4.695 -8.914 1.00 0.00 C ATOM 1584 OE1 GLN A 608 -7.736 -4.818 -10.130 1.00 0.00 O ATOM 1585 NE2 GLN A 608 -6.577 -5.221 -8.263 1.00 0.00 N ATOM 0 H GLN A 608 -11.898 -5.670 -6.741 1.00 0.00 H new ATOM 0 HA GLN A 608 -10.088 -3.676 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 608 -9.362 -5.625 -7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 608 -10.327 -5.091 -8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 608 -8.963 -3.078 -8.691 1.00 0.00 H new ATOM 0 HG3 GLN A 608 -8.063 -3.466 -7.238 1.00 0.00 H new ATOM 0 HE21 GLN A 608 -6.497 -5.095 -7.254 1.00 0.00 H new ATOM 0 HE22 GLN A 608 -5.869 -5.754 -8.768 1.00 0.00 H new ATOM 1594 N LEU A 609 -10.658 -1.603 -6.986 1.00 0.00 N ATOM 1595 CA LEU A 609 -11.081 -0.324 -7.526 1.00 0.00 C ATOM 1596 C LEU A 609 -10.208 0.000 -8.725 1.00 0.00 C ATOM 1597 O LEU A 609 -9.018 -0.326 -8.720 1.00 0.00 O ATOM 1598 CB LEU A 609 -10.903 0.769 -6.467 1.00 0.00 C ATOM 1599 CG LEU A 609 -11.669 0.556 -5.161 1.00 0.00 C ATOM 1600 CD1 LEU A 609 -11.081 1.418 -4.054 1.00 0.00 C ATOM 1601 CD2 LEU A 609 -13.140 0.882 -5.357 1.00 0.00 C ATOM 0 H LEU A 609 -9.880 -1.539 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 609 -12.130 -0.373 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -9.842 0.855 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -11.213 1.721 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 609 -11.577 -0.491 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 609 -11.638 1.255 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 609 -10.036 1.149 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -11.148 2.469 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -13.675 0.727 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -13.244 1.922 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -13.558 0.232 -6.126 1.00 0.00 H new ATOM 1613 N SER A 610 -10.759 0.623 -9.755 1.00 0.00 N ATOM 1614 CA SER A 610 -9.974 1.088 -10.873 1.00 0.00 C ATOM 1615 C SER A 610 -9.319 2.399 -10.491 1.00 0.00 C ATOM 1616 O SER A 610 -9.723 3.025 -9.507 1.00 0.00 O ATOM 1617 CB SER A 610 -10.868 1.270 -12.102 1.00 0.00 C ATOM 1618 OG SER A 610 -11.578 0.079 -12.392 1.00 0.00 O ATOM 0 H SER A 610 -11.757 0.817 -9.834 1.00 0.00 H new ATOM 0 HA SER A 610 -9.205 0.356 -11.121 1.00 0.00 H new ATOM 0 HB2 SER A 610 -11.572 2.084 -11.927 1.00 0.00 H new ATOM 0 HB3 SER A 610 -10.259 1.553 -12.961 1.00 0.00 H new ATOM 0 HG SER A 610 -12.144 0.219 -13.180 1.00 0.00 H new ATOM 1624 N ALA A 611 -8.318 2.812 -11.252 1.00 0.00 N ATOM 1625 CA ALA A 611 -7.591 4.038 -10.966 1.00 0.00 C ATOM 1626 C ALA A 611 -8.533 5.230 -10.818 1.00 0.00 C ATOM 1627 O ALA A 611 -8.259 6.150 -10.053 1.00 0.00 O ATOM 1628 CB ALA A 611 -6.564 4.304 -12.053 1.00 0.00 C ATOM 0 H ALA A 611 -7.989 2.312 -12.078 1.00 0.00 H new ATOM 0 HA ALA A 611 -7.076 3.906 -10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 611 -6.026 5.225 -11.828 1.00 0.00 H new ATOM 0 HB2 ALA A 611 -5.859 3.474 -12.099 1.00 0.00 H new ATOM 0 HB3 ALA A 611 -7.069 4.405 -13.014 1.00 0.00 H new ATOM 1634 N GLU A 612 -9.637 5.210 -11.557 1.00 0.00 N ATOM 1635 CA GLU A 612 -10.607 6.300 -11.504 1.00 0.00 C ATOM 1636 C GLU A 612 -11.402 6.277 -10.194 1.00 0.00 C ATOM 1637 O GLU A 612 -11.792 7.324 -9.681 1.00 0.00 O ATOM 1638 CB GLU A 612 -11.565 6.222 -12.694 1.00 0.00 C ATOM 1639 CG GLU A 612 -10.880 6.382 -14.041 1.00 0.00 C ATOM 1640 CD GLU A 612 -10.079 7.664 -14.138 1.00 0.00 C ATOM 1641 OE1 GLU A 612 -10.672 8.752 -13.993 1.00 0.00 O ATOM 1642 OE2 GLU A 612 -8.853 7.590 -14.359 1.00 0.00 O ATOM 0 H GLU A 612 -9.883 4.455 -12.197 1.00 0.00 H new ATOM 0 HA GLU A 612 -10.053 7.237 -11.551 1.00 0.00 H new ATOM 0 HB2 GLU A 612 -12.082 5.263 -12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 612 -12.325 6.996 -12.589 1.00 0.00 H new ATOM 0 HG2 GLU A 612 -10.220 5.532 -14.212 1.00 0.00 H new ATOM 0 HG3 GLU A 612 -11.631 6.367 -14.831 1.00 0.00 H new ATOM 1649 N GLU A 613 -11.631 5.085 -9.650 1.00 0.00 N ATOM 1650 CA GLU A 613 -12.407 4.935 -8.420 1.00 0.00 C ATOM 1651 C GLU A 613 -11.544 5.193 -7.193 1.00 0.00 C ATOM 1652 O GLU A 613 -12.047 5.585 -6.137 1.00 0.00 O ATOM 1653 CB GLU A 613 -13.002 3.531 -8.334 1.00 0.00 C ATOM 1654 CG GLU A 613 -13.989 3.214 -9.446 1.00 0.00 C ATOM 1655 CD GLU A 613 -15.179 4.152 -9.456 1.00 0.00 C ATOM 1656 OE1 GLU A 613 -16.089 3.974 -8.619 1.00 0.00 O ATOM 1657 OE2 GLU A 613 -15.212 5.070 -10.301 1.00 0.00 O ATOM 0 H GLU A 613 -11.290 4.207 -10.041 1.00 0.00 H new ATOM 0 HA GLU A 613 -13.211 5.670 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -12.193 2.801 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -13.503 3.417 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -13.478 3.271 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -14.341 2.189 -9.333 1.00 0.00 H new ATOM 1664 N ILE A 614 -10.248 4.947 -7.349 1.00 0.00 N ATOM 1665 CA ILE A 614 -9.268 5.116 -6.274 1.00 0.00 C ATOM 1666 C ILE A 614 -9.418 6.448 -5.511 1.00 0.00 C ATOM 1667 O ILE A 614 -9.658 6.434 -4.302 1.00 0.00 O ATOM 1668 CB ILE A 614 -7.829 5.007 -6.835 1.00 0.00 C ATOM 1669 CG1 ILE A 614 -7.508 3.560 -7.216 1.00 0.00 C ATOM 1670 CG2 ILE A 614 -6.816 5.550 -5.844 1.00 0.00 C ATOM 1671 CD1 ILE A 614 -6.096 3.366 -7.730 1.00 0.00 C ATOM 0 H ILE A 614 -9.842 4.623 -8.227 1.00 0.00 H new ATOM 0 HA ILE A 614 -9.461 4.314 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 614 -7.768 5.616 -7.737 1.00 0.00 H new ATOM 0 HG12 ILE A 614 -7.659 2.922 -6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 614 -8.212 3.230 -7.980 1.00 0.00 H new ATOM 0 HG21 ILE A 614 -5.814 5.461 -6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 614 -7.033 6.599 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 614 -6.873 4.980 -4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 614 -5.941 2.316 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 614 -5.946 3.977 -8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 614 -5.384 3.665 -6.960 1.00 0.00 H new ATOM 1683 N PRO A 615 -9.319 7.610 -6.194 1.00 0.00 N ATOM 1684 CA PRO A 615 -9.340 8.921 -5.531 1.00 0.00 C ATOM 1685 C PRO A 615 -10.646 9.188 -4.801 1.00 0.00 C ATOM 1686 O PRO A 615 -10.670 9.904 -3.801 1.00 0.00 O ATOM 1687 CB PRO A 615 -9.161 9.917 -6.679 1.00 0.00 C ATOM 1688 CG PRO A 615 -9.567 9.168 -7.895 1.00 0.00 C ATOM 1689 CD PRO A 615 -9.168 7.750 -7.650 1.00 0.00 C ATOM 0 HA PRO A 615 -8.567 8.991 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -9.780 10.803 -6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -8.128 10.258 -6.750 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -10.641 9.249 -8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -9.074 9.565 -8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.807 7.052 -8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.144 7.558 -7.970 1.00 0.00 H new ATOM 1697 N SER A 616 -11.723 8.593 -5.288 1.00 0.00 N ATOM 1698 CA SER A 616 -13.034 8.782 -4.690 1.00 0.00 C ATOM 1699 C SER A 616 -13.080 8.153 -3.303 1.00 0.00 C ATOM 1700 O SER A 616 -13.651 8.716 -2.371 1.00 0.00 O ATOM 1701 CB SER A 616 -14.101 8.169 -5.592 1.00 0.00 C ATOM 1702 OG SER A 616 -13.943 8.615 -6.929 1.00 0.00 O ATOM 0 H SER A 616 -11.714 7.973 -6.098 1.00 0.00 H new ATOM 0 HA SER A 616 -13.229 9.849 -4.586 1.00 0.00 H new ATOM 0 HB2 SER A 616 -14.034 7.082 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 616 -15.092 8.440 -5.228 1.00 0.00 H new ATOM 0 HG SER A 616 -14.635 8.210 -7.493 1.00 0.00 H new ATOM 1708 N ARG A 617 -12.451 6.993 -3.169 1.00 0.00 N ATOM 1709 CA ARG A 617 -12.331 6.323 -1.883 1.00 0.00 C ATOM 1710 C ARG A 617 -11.339 7.056 -0.988 1.00 0.00 C ATOM 1711 O ARG A 617 -11.549 7.178 0.220 1.00 0.00 O ATOM 1712 CB ARG A 617 -11.920 4.863 -2.068 1.00 0.00 C ATOM 1713 CG ARG A 617 -13.084 3.930 -2.372 1.00 0.00 C ATOM 1714 CD ARG A 617 -13.788 4.288 -3.673 1.00 0.00 C ATOM 1715 NE ARG A 617 -14.925 3.408 -3.926 1.00 0.00 N ATOM 1716 CZ ARG A 617 -15.591 3.343 -5.075 1.00 0.00 C ATOM 1717 NH1 ARG A 617 -15.265 4.139 -6.083 1.00 0.00 N ATOM 1718 NH2 ARG A 617 -16.590 2.480 -5.208 1.00 0.00 N ATOM 0 H ARG A 617 -12.013 6.494 -3.943 1.00 0.00 H new ATOM 0 HA ARG A 617 -13.306 6.339 -1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 617 -11.195 4.800 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 617 -11.418 4.519 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 617 -12.719 2.905 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 617 -13.801 3.968 -1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 617 -14.130 5.322 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 617 -13.082 4.219 -4.501 1.00 0.00 H new ATOM 0 HE ARG A 617 -15.230 2.799 -3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 617 -14.500 4.806 -5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 617 -15.779 4.085 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 617 -16.844 1.870 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 617 -17.104 2.426 -6.087 1.00 0.00 H new ATOM 1732 N ILE A 618 -10.261 7.545 -1.598 1.00 0.00 N ATOM 1733 CA ILE A 618 -9.244 8.306 -0.883 1.00 0.00 C ATOM 1734 C ILE A 618 -9.856 9.520 -0.186 1.00 0.00 C ATOM 1735 O ILE A 618 -9.487 9.853 0.933 1.00 0.00 O ATOM 1736 CB ILE A 618 -8.124 8.780 -1.834 1.00 0.00 C ATOM 1737 CG1 ILE A 618 -7.379 7.580 -2.425 1.00 0.00 C ATOM 1738 CG2 ILE A 618 -7.158 9.703 -1.109 1.00 0.00 C ATOM 1739 CD1 ILE A 618 -6.240 7.966 -3.345 1.00 0.00 C ATOM 0 H ILE A 618 -10.071 7.425 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 618 -8.815 7.639 -0.135 1.00 0.00 H new ATOM 0 HB ILE A 618 -8.582 9.338 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 618 -6.987 6.970 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 618 -8.086 6.960 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 618 -6.377 10.025 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 618 -7.697 10.575 -0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 618 -6.707 9.172 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 618 -5.759 7.065 -3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 618 -6.628 8.550 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 618 -5.512 8.561 -2.793 1.00 0.00 H new ATOM 1751 N GLN A 619 -10.804 10.164 -0.851 1.00 0.00 N ATOM 1752 CA GLN A 619 -11.473 11.341 -0.303 1.00 0.00 C ATOM 1753 C GLN A 619 -12.177 11.033 1.014 1.00 0.00 C ATOM 1754 O GLN A 619 -12.238 11.880 1.905 1.00 0.00 O ATOM 1755 CB GLN A 619 -12.461 11.906 -1.313 1.00 0.00 C ATOM 1756 CG GLN A 619 -11.782 12.448 -2.555 1.00 0.00 C ATOM 1757 CD GLN A 619 -11.004 13.721 -2.290 1.00 0.00 C ATOM 1758 OE1 GLN A 619 -11.545 14.822 -2.382 1.00 0.00 O ATOM 1759 NE2 GLN A 619 -9.727 13.579 -1.978 1.00 0.00 N ATOM 0 H GLN A 619 -11.131 9.891 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 619 -10.707 12.088 -0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 619 -13.166 11.126 -1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 619 -13.039 12.702 -0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 619 -11.107 11.691 -2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 619 -12.534 12.640 -3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 619 -9.319 12.647 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 619 -9.150 14.402 -1.803 1.00 0.00 H new ATOM 1768 N ALA A 620 -12.708 9.827 1.139 1.00 0.00 N ATOM 1769 CA ALA A 620 -13.390 9.425 2.358 1.00 0.00 C ATOM 1770 C ALA A 620 -12.391 9.110 3.465 1.00 0.00 C ATOM 1771 O ALA A 620 -12.549 9.550 4.607 1.00 0.00 O ATOM 1772 CB ALA A 620 -14.277 8.220 2.086 1.00 0.00 C ATOM 0 H ALA A 620 -12.680 9.111 0.413 1.00 0.00 H new ATOM 0 HA ALA A 620 -14.012 10.255 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 620 -14.784 7.926 3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 620 -15.018 8.477 1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 620 -13.666 7.392 1.728 1.00 0.00 H new ATOM 1778 N ILE A 621 -11.346 8.373 3.111 1.00 0.00 N ATOM 1779 CA ILE A 621 -10.351 7.932 4.083 1.00 0.00 C ATOM 1780 C ILE A 621 -9.307 9.009 4.343 1.00 0.00 C ATOM 1781 O ILE A 621 -8.414 8.837 5.174 1.00 0.00 O ATOM 1782 CB ILE A 621 -9.637 6.648 3.617 1.00 0.00 C ATOM 1783 CG1 ILE A 621 -8.957 6.868 2.265 1.00 0.00 C ATOM 1784 CG2 ILE A 621 -10.626 5.502 3.525 1.00 0.00 C ATOM 1785 CD1 ILE A 621 -8.161 5.674 1.792 1.00 0.00 C ATOM 0 H ILE A 621 -11.164 8.067 2.155 1.00 0.00 H new ATOM 0 HA ILE A 621 -10.892 7.727 5.007 1.00 0.00 H new ATOM 0 HB ILE A 621 -8.871 6.395 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 621 -9.716 7.108 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 621 -8.295 7.731 2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 621 -10.109 4.601 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 621 -11.072 5.327 4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 621 -11.409 5.754 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 621 -7.706 5.899 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 621 -7.380 5.447 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 621 -8.822 4.814 1.689 1.00 0.00 H new ATOM 1797 N THR A 622 -9.422 10.118 3.628 1.00 0.00 N ATOM 1798 CA THR A 622 -8.488 11.217 3.781 1.00 0.00 C ATOM 1799 C THR A 622 -8.818 12.016 5.046 1.00 0.00 C ATOM 1800 O THR A 622 -8.009 12.813 5.526 1.00 0.00 O ATOM 1801 CB THR A 622 -8.491 12.152 2.539 1.00 0.00 C ATOM 1802 OG1 THR A 622 -7.222 12.808 2.418 1.00 0.00 O ATOM 1803 CG2 THR A 622 -9.581 13.205 2.641 1.00 0.00 C ATOM 0 H THR A 622 -10.154 10.278 2.936 1.00 0.00 H new ATOM 0 HA THR A 622 -7.488 10.793 3.872 1.00 0.00 H new ATOM 0 HB THR A 622 -8.681 11.535 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 622 -7.230 13.394 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 622 -9.555 13.842 1.757 1.00 0.00 H new ATOM 0 HG22 THR A 622 -10.553 12.717 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 622 -9.418 13.813 3.531 1.00 0.00 H new ATOM 1811 N GLY A 623 -10.006 11.772 5.590 1.00 0.00 N ATOM 1812 CA GLY A 623 -10.451 12.491 6.765 1.00 0.00 C ATOM 1813 C GLY A 623 -11.747 13.233 6.517 1.00 0.00 C ATOM 1814 O GLY A 623 -11.904 14.384 6.928 1.00 0.00 O ATOM 0 H GLY A 623 -10.670 11.085 5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 623 -10.586 11.791 7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 623 -9.680 13.199 7.071 1.00 0.00 H new ATOM 1818 N SER A 624 -12.675 12.573 5.838 1.00 0.00 N ATOM 1819 CA SER A 624 -13.957 13.175 5.514 1.00 0.00 C ATOM 1820 C SER A 624 -14.948 12.916 6.643 1.00 0.00 C ATOM 1821 O SER A 624 -15.371 11.751 6.806 1.00 0.00 O ATOM 1822 CB SER A 624 -14.487 12.609 4.192 1.00 0.00 C ATOM 1823 OG SER A 624 -15.620 13.330 3.734 1.00 0.00 O ATOM 1824 OXT SER A 624 -15.292 13.871 7.369 1.00 0.00 O ATOM 0 H SER A 624 -12.561 11.617 5.501 1.00 0.00 H new ATOM 0 HA SER A 624 -13.829 14.251 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 624 -13.701 12.647 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 624 -14.751 11.560 4.324 1.00 0.00 H new ATOM 0 HG SER A 624 -15.933 12.945 2.889 1.00 0.00 H new TER 1830 SER A 624