USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=22 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 -76:sc= -1.69! USER MOD Set 1.2: A 605 GLN : amide:sc= -1.43! K(o=-3.1!,f=-3.8) USER MOD Set 2.1: A 556 CYS SG : rot 31:sc= 1.21 USER MOD Set 2.2: A 569 TYR OH : rot -130:sc= 1.03 USER MOD Single : A 521 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 530 GLN :FLIP amide:sc= -0.551 F(o=-3.1!,f=-0.55) USER MOD Single : A 531 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.19) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0581) 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 K(o=0,f=-0.52) USER MOD Single : A 550 THR OG1 : rot 110:sc= 0.453 USER MOD Single : A 552 TYR OH : rot 180:sc= 0.34 USER MOD Single : A 553 TYR OH : rot -84:sc=0.000359 USER MOD Single : A 558 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 560 MET CE :methyl 149:sc= -0.79 (180deg=-1.79!) USER MOD Single : A 561 LYS NZ :NH3+ 174:sc= 1.69 (180deg=1.47) USER MOD Single : A 562 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 571 SER OG : rot 180:sc= 0 USER MOD Single : A 573 ASN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 576 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 577 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 582 HIS : no HD1:sc= 0.0229 K(o=0.023,f=-7.6!) USER MOD Single : A 584 SER OG : rot 140:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 163:sc= -0.136 (180deg=-0.629) USER MOD Single : A 608 GLN : amide:sc= 0.0527 X(o=0.053,f=0) USER MOD Single : A 610 SER OG : rot -71:sc= -1.01! USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.14) USER MOD Single : A 622 THR OG1 : rot 78:sc= 0.436 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 -11.258 -19.005 7.627 1.00 0.00 N ATOM 2 CA ARG A 516 -10.497 -18.801 6.376 1.00 0.00 C ATOM 3 C ARG A 516 -9.961 -17.378 6.315 1.00 0.00 C ATOM 4 O ARG A 516 -10.698 -16.422 6.563 1.00 0.00 O ATOM 5 CB ARG A 516 -11.394 -19.059 5.158 1.00 0.00 C ATOM 6 CG ARG A 516 -10.687 -18.857 3.825 1.00 0.00 C ATOM 7 CD ARG A 516 -11.673 -18.728 2.673 1.00 0.00 C ATOM 8 NE ARG A 516 -12.479 -19.934 2.481 1.00 0.00 N ATOM 9 CZ ARG A 516 -13.439 -20.048 1.561 1.00 0.00 C ATOM 10 NH1 ARG A 516 -13.726 -19.028 0.760 1.00 0.00 N ATOM 11 NH2 ARG A 516 -14.117 -21.183 1.445 1.00 0.00 N ATOM 0 HA ARG A 516 -9.663 -19.503 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 516 -11.774 -20.079 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 516 -12.257 -18.395 5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 516 -10.068 -17.961 3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 516 -10.018 -19.697 3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 516 -12.333 -17.881 2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 516 -11.127 -18.511 1.755 1.00 0.00 H new ATOM 0 HE ARG A 516 -12.296 -20.735 3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 516 -13.212 -18.151 0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 516 -14.461 -19.121 0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 516 -13.905 -21.969 2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 516 -14.851 -21.269 0.742 1.00 0.00 H new ATOM 27 N ARG A 517 -8.677 -17.240 5.999 1.00 0.00 N ATOM 28 CA ARG A 517 -8.090 -15.927 5.786 1.00 0.00 C ATOM 29 C ARG A 517 -8.705 -15.297 4.550 1.00 0.00 C ATOM 30 O ARG A 517 -8.804 -15.945 3.507 1.00 0.00 O ATOM 31 CB ARG A 517 -6.577 -16.013 5.585 1.00 0.00 C ATOM 32 CG ARG A 517 -5.813 -16.668 6.720 1.00 0.00 C ATOM 33 CD ARG A 517 -4.318 -16.578 6.466 1.00 0.00 C ATOM 34 NE ARG A 517 -3.530 -17.299 7.463 1.00 0.00 N ATOM 35 CZ ARG A 517 -2.203 -17.224 7.555 1.00 0.00 C ATOM 36 NH1 ARG A 517 -1.518 -16.438 6.730 1.00 0.00 N ATOM 37 NH2 ARG A 517 -1.558 -17.936 8.471 1.00 0.00 N ATOM 0 H ARG A 517 -8.028 -18.019 5.886 1.00 0.00 H new ATOM 0 HA ARG A 517 -8.290 -15.324 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 517 -6.379 -16.567 4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 517 -6.188 -15.005 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 517 -6.059 -16.180 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 517 -6.111 -17.712 6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 517 -4.097 -16.978 5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 517 -4.017 -15.530 6.460 1.00 0.00 H new ATOM 0 HE ARG A 517 -4.025 -17.894 8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 517 -2.008 -15.890 6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 517 -0.502 -16.383 6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 517 -2.078 -18.542 9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 517 -0.542 -17.877 8.540 1.00 0.00 H new ATOM 51 N ARG A 518 -9.124 -14.052 4.659 1.00 0.00 N ATOM 52 CA ARG A 518 -9.678 -13.359 3.514 1.00 0.00 C ATOM 53 C ARG A 518 -8.559 -12.638 2.787 1.00 0.00 C ATOM 54 O ARG A 518 -7.952 -11.704 3.316 1.00 0.00 O ATOM 55 CB ARG A 518 -10.789 -12.391 3.944 1.00 0.00 C ATOM 56 CG ARG A 518 -11.647 -11.861 2.796 1.00 0.00 C ATOM 57 CD ARG A 518 -10.949 -10.757 2.015 1.00 0.00 C ATOM 58 NE ARG A 518 -10.519 -9.664 2.885 1.00 0.00 N ATOM 59 CZ ARG A 518 -9.632 -8.738 2.534 1.00 0.00 C ATOM 60 NH1 ARG A 518 -9.106 -8.744 1.314 1.00 0.00 N ATOM 61 NH2 ARG A 518 -9.276 -7.799 3.402 1.00 0.00 N ATOM 0 H ARG A 518 -9.092 -13.505 5.519 1.00 0.00 H new ATOM 0 HA ARG A 518 -10.133 -14.080 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -11.436 -12.896 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -10.336 -11.546 4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -11.893 -12.681 2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -12.588 -11.482 3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -10.084 -11.170 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -11.624 -10.370 1.252 1.00 0.00 H new ATOM 0 HE ARG A 518 -10.925 -9.608 3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -9.382 -9.461 0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -8.426 -8.032 1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -9.683 -7.788 4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -8.596 -7.088 3.134 1.00 0.00 H new ATOM 75 N ILE A 519 -8.281 -13.090 1.580 1.00 0.00 N ATOM 76 CA ILE A 519 -7.160 -12.580 0.818 1.00 0.00 C ATOM 77 C ILE A 519 -7.648 -11.677 -0.305 1.00 0.00 C ATOM 78 O ILE A 519 -8.775 -11.814 -0.782 1.00 0.00 O ATOM 79 CB ILE A 519 -6.323 -13.735 0.227 1.00 0.00 C ATOM 80 CG1 ILE A 519 -6.214 -14.877 1.244 1.00 0.00 C ATOM 81 CG2 ILE A 519 -4.939 -13.241 -0.175 1.00 0.00 C ATOM 82 CD1 ILE A 519 -5.298 -16.003 0.809 1.00 0.00 C ATOM 0 H ILE A 519 -8.820 -13.814 1.104 1.00 0.00 H new ATOM 0 HA ILE A 519 -6.531 -12.003 1.495 1.00 0.00 H new ATOM 0 HB ILE A 519 -6.823 -14.109 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 519 -5.854 -14.474 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 519 -7.209 -15.282 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 519 -4.363 -14.069 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 519 -5.037 -12.456 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 519 -4.425 -12.845 0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 519 -5.274 -16.772 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 519 -5.668 -16.435 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 519 -4.292 -15.614 0.653 1.00 0.00 H new ATOM 94 N ALA A 520 -6.806 -10.744 -0.707 1.00 0.00 N ATOM 95 CA ALA A 520 -7.129 -9.850 -1.799 1.00 0.00 C ATOM 96 C ALA A 520 -6.329 -10.222 -3.035 1.00 0.00 C ATOM 97 O ALA A 520 -5.209 -10.724 -2.934 1.00 0.00 O ATOM 98 CB ALA A 520 -6.854 -8.408 -1.401 1.00 0.00 C ATOM 0 H ALA A 520 -5.889 -10.586 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 520 -8.190 -9.948 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -7.102 -7.748 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -7.464 -8.147 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -5.800 -8.295 -1.149 1.00 0.00 H new ATOM 104 N THR A 521 -6.908 -9.983 -4.193 1.00 0.00 N ATOM 105 CA THR A 521 -6.225 -10.193 -5.451 1.00 0.00 C ATOM 106 C THR A 521 -5.722 -8.868 -6.001 1.00 0.00 C ATOM 107 O THR A 521 -6.343 -7.833 -5.774 1.00 0.00 O ATOM 108 CB THR A 521 -7.168 -10.858 -6.467 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.522 -10.530 -6.142 1.00 0.00 O ATOM 110 CG2 THR A 521 -6.989 -12.368 -6.475 1.00 0.00 C ATOM 0 H THR A 521 -7.863 -9.638 -4.288 1.00 0.00 H new ATOM 0 HA THR A 521 -5.374 -10.852 -5.278 1.00 0.00 H new ATOM 0 HB THR A 521 -6.925 -10.485 -7.462 1.00 0.00 H new ATOM 0 HG1 THR A 521 -9.125 -10.951 -6.789 1.00 0.00 H new ATOM 0 HG21 THR A 521 -7.669 -12.811 -7.203 1.00 0.00 H new ATOM 0 HG22 THR A 521 -5.961 -12.611 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 521 -7.209 -12.766 -5.484 1.00 0.00 H new ATOM 118 N PRO A 522 -4.590 -8.876 -6.720 1.00 0.00 N ATOM 119 CA PRO A 522 -4.002 -7.659 -7.285 1.00 0.00 C ATOM 120 C PRO A 522 -5.009 -6.862 -8.109 1.00 0.00 C ATOM 121 O PRO A 522 -5.068 -5.636 -8.026 1.00 0.00 O ATOM 122 CB PRO A 522 -2.864 -8.177 -8.182 1.00 0.00 C ATOM 123 CG PRO A 522 -3.068 -9.652 -8.285 1.00 0.00 C ATOM 124 CD PRO A 522 -3.784 -10.064 -7.033 1.00 0.00 C ATOM 0 HA PRO A 522 -3.662 -6.977 -6.506 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -2.897 -7.708 -9.165 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -1.890 -7.946 -7.751 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.654 -9.903 -9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -2.114 -10.171 -8.377 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.405 -10.945 -7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -3.089 -10.306 -6.229 1.00 0.00 H new ATOM 132 N GLU A 523 -5.789 -7.581 -8.905 1.00 0.00 N ATOM 133 CA GLU A 523 -6.826 -6.963 -9.724 1.00 0.00 C ATOM 134 C GLU A 523 -7.806 -6.173 -8.843 1.00 0.00 C ATOM 135 O GLU A 523 -8.231 -5.077 -9.205 1.00 0.00 O ATOM 136 CB GLU A 523 -7.566 -8.013 -10.562 1.00 0.00 C ATOM 137 CG GLU A 523 -8.142 -9.166 -9.757 1.00 0.00 C ATOM 138 CD GLU A 523 -8.986 -10.096 -10.603 1.00 0.00 C ATOM 139 OE1 GLU A 523 -10.168 -9.775 -10.842 1.00 0.00 O ATOM 140 OE2 GLU A 523 -8.477 -11.152 -11.031 1.00 0.00 O ATOM 0 H GLU A 523 -5.724 -8.594 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 523 -6.347 -6.268 -10.413 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -8.376 -7.523 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -6.880 -8.414 -11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -7.328 -9.731 -9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -8.748 -8.770 -8.942 1.00 0.00 H new ATOM 147 N GLU A 524 -8.152 -6.731 -7.684 1.00 0.00 N ATOM 148 CA GLU A 524 -8.999 -6.043 -6.717 1.00 0.00 C ATOM 149 C GLU A 524 -8.248 -4.898 -6.035 1.00 0.00 C ATOM 150 O GLU A 524 -8.815 -3.847 -5.772 1.00 0.00 O ATOM 151 CB GLU A 524 -9.506 -7.017 -5.658 1.00 0.00 C ATOM 152 CG GLU A 524 -10.368 -8.138 -6.207 1.00 0.00 C ATOM 153 CD GLU A 524 -11.675 -7.665 -6.807 1.00 0.00 C ATOM 154 OE1 GLU A 524 -11.707 -7.352 -8.013 1.00 0.00 O ATOM 155 OE2 GLU A 524 -12.690 -7.635 -6.077 1.00 0.00 O ATOM 0 H GLU A 524 -7.856 -7.663 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 524 -9.846 -5.628 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -8.651 -7.451 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.080 -6.463 -4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -9.804 -8.678 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -10.582 -8.845 -5.406 1.00 0.00 H new ATOM 162 N VAL A 525 -6.971 -5.112 -5.742 1.00 0.00 N ATOM 163 CA VAL A 525 -6.168 -4.113 -5.036 1.00 0.00 C ATOM 164 C VAL A 525 -5.953 -2.861 -5.891 1.00 0.00 C ATOM 165 O VAL A 525 -5.826 -1.751 -5.371 1.00 0.00 O ATOM 166 CB VAL A 525 -4.801 -4.692 -4.602 1.00 0.00 C ATOM 167 CG1 VAL A 525 -3.945 -3.630 -3.929 1.00 0.00 C ATOM 168 CG2 VAL A 525 -4.996 -5.879 -3.669 1.00 0.00 C ATOM 0 H VAL A 525 -6.467 -5.966 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 525 -6.726 -3.832 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.281 -5.031 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -2.990 -4.065 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -3.771 -2.809 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -4.460 -3.254 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.024 -6.273 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -5.542 -5.559 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -5.562 -6.656 -4.182 1.00 0.00 H new ATOM 178 N ARG A 526 -5.917 -3.037 -7.203 1.00 0.00 N ATOM 179 CA ARG A 526 -5.756 -1.909 -8.112 1.00 0.00 C ATOM 180 C ARG A 526 -7.100 -1.265 -8.419 1.00 0.00 C ATOM 181 O ARG A 526 -7.156 -0.154 -8.938 1.00 0.00 O ATOM 182 CB ARG A 526 -5.077 -2.339 -9.412 1.00 0.00 C ATOM 183 CG ARG A 526 -5.888 -3.321 -10.233 1.00 0.00 C ATOM 184 CD ARG A 526 -5.110 -3.806 -11.440 1.00 0.00 C ATOM 185 NE ARG A 526 -4.591 -2.702 -12.245 1.00 0.00 N ATOM 186 CZ ARG A 526 -4.038 -2.856 -13.443 1.00 0.00 C ATOM 187 NH1 ARG A 526 -3.909 -4.068 -13.966 1.00 0.00 N ATOM 188 NH2 ARG A 526 -3.598 -1.799 -14.108 1.00 0.00 N ATOM 0 H ARG A 526 -5.996 -3.945 -7.662 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.119 -1.177 -7.615 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -4.877 -1.454 -10.016 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -4.112 -2.788 -9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -6.168 -4.172 -9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -6.813 -2.847 -10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -4.281 -4.432 -11.108 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -5.754 -4.432 -12.058 1.00 0.00 H new ATOM 0 HE ARG A 526 -4.657 -1.758 -11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -4.235 -4.884 -13.448 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -3.484 -4.184 -14.886 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -3.684 -0.868 -13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -3.173 -1.916 -15.028 1.00 0.00 H new ATOM 202 N LEU A 527 -8.175 -1.977 -8.103 1.00 0.00 N ATOM 203 CA LEU A 527 -9.537 -1.499 -8.330 1.00 0.00 C ATOM 204 C LEU A 527 -9.734 -0.072 -7.779 1.00 0.00 C ATOM 205 O LEU A 527 -10.148 0.821 -8.519 1.00 0.00 O ATOM 206 CB LEU A 527 -10.531 -2.481 -7.680 1.00 0.00 C ATOM 207 CG LEU A 527 -11.782 -2.832 -8.485 1.00 0.00 C ATOM 208 CD1 LEU A 527 -12.697 -1.629 -8.605 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.405 -3.369 -9.857 1.00 0.00 C ATOM 0 H LEU A 527 -8.129 -2.904 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.720 -1.454 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -9.999 -3.406 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -10.848 -2.061 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.323 -3.615 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.581 -1.901 -9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -12.999 -1.301 -7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -12.169 -0.819 -9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -12.310 -3.613 -10.414 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -10.837 -2.613 -10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -10.797 -4.266 -9.742 1.00 0.00 H new ATOM 221 N PRO A 528 -9.427 0.175 -6.483 1.00 0.00 N ATOM 222 CA PRO A 528 -9.545 1.511 -5.879 1.00 0.00 C ATOM 223 C PRO A 528 -8.665 2.545 -6.569 1.00 0.00 C ATOM 224 O PRO A 528 -9.012 3.726 -6.636 1.00 0.00 O ATOM 225 CB PRO A 528 -9.085 1.302 -4.428 1.00 0.00 C ATOM 226 CG PRO A 528 -8.336 0.018 -4.434 1.00 0.00 C ATOM 227 CD PRO A 528 -8.972 -0.817 -5.496 1.00 0.00 C ATOM 0 HA PRO A 528 -10.560 1.898 -5.965 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -8.453 2.124 -4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -9.936 1.258 -3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -7.279 0.182 -4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -8.394 -0.473 -3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -8.263 -1.521 -5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -9.803 -1.403 -5.103 1.00 0.00 H new ATOM 235 N LEU A 529 -7.547 2.086 -7.116 1.00 0.00 N ATOM 236 CA LEU A 529 -6.592 2.970 -7.771 1.00 0.00 C ATOM 237 C LEU A 529 -7.179 3.529 -9.060 1.00 0.00 C ATOM 238 O LEU A 529 -6.717 4.547 -9.577 1.00 0.00 O ATOM 239 CB LEU A 529 -5.290 2.223 -8.079 1.00 0.00 C ATOM 240 CG LEU A 529 -4.678 1.454 -6.905 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.380 0.786 -7.329 1.00 0.00 C ATOM 242 CD2 LEU A 529 -4.435 2.374 -5.721 1.00 0.00 C ATOM 0 H LEU A 529 -7.278 1.102 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 529 -6.375 3.795 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.478 1.522 -8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -4.556 2.942 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.386 0.684 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -2.957 0.243 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.578 0.090 -8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.673 1.545 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -4.000 1.804 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -3.750 3.170 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -5.381 2.810 -5.399 1.00 0.00 H new ATOM 254 N GLN A 530 -8.198 2.855 -9.576 1.00 0.00 N ATOM 255 CA GLN A 530 -8.845 3.273 -10.810 1.00 0.00 C ATOM 256 C GLN A 530 -9.940 4.293 -10.513 1.00 0.00 C ATOM 257 O GLN A 530 -10.340 5.069 -11.383 1.00 0.00 O ATOM 258 CB GLN A 530 -9.453 2.066 -11.534 1.00 0.00 C ATOM 259 CG GLN A 530 -8.594 0.811 -11.478 1.00 0.00 C ATOM 260 CD GLN A 530 -9.075 -0.269 -12.423 1.00 0.00 C ATOM 261 OE1 GLN A 530 -9.971 -1.115 -11.949 1.00 0.00 O flip ATOM 262 NE2 GLN A 530 -8.653 -0.336 -13.575 1.00 0.00 N flip ATOM 0 H GLN A 530 -8.595 2.014 -9.157 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.092 3.730 -11.452 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.427 1.846 -11.097 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -9.624 2.330 -12.578 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -7.564 1.070 -11.723 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -8.592 0.422 -10.460 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -7.960 0.337 -13.904 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -8.995 -1.064 -14.202 1.00 0.00 H new ATOM 271 N HIS A 531 -10.414 4.292 -9.272 1.00 0.00 N ATOM 272 CA HIS A 531 -11.524 5.151 -8.874 1.00 0.00 C ATOM 273 C HIS A 531 -11.038 6.478 -8.306 1.00 0.00 C ATOM 274 O HIS A 531 -11.738 7.486 -8.385 1.00 0.00 O ATOM 275 CB HIS A 531 -12.420 4.437 -7.858 1.00 0.00 C ATOM 276 CG HIS A 531 -13.283 3.379 -8.472 1.00 0.00 C ATOM 277 ND1 HIS A 531 -14.453 3.697 -9.119 1.00 0.00 N ATOM 278 CD2 HIS A 531 -13.103 2.038 -8.520 1.00 0.00 C ATOM 279 CE1 HIS A 531 -14.954 2.550 -9.543 1.00 0.00 C ATOM 280 NE2 HIS A 531 -14.171 1.517 -9.205 1.00 0.00 N ATOM 0 H HIS A 531 -10.046 3.705 -8.523 1.00 0.00 H new ATOM 0 HA HIS A 531 -12.105 5.367 -9.771 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -11.796 3.985 -7.087 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -13.055 5.172 -7.363 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -12.277 1.484 -8.099 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -15.879 2.457 -10.093 1.00 0.00 H new ATOM 0 HE2 HIS A 531 -14.337 0.533 -9.416 1.00 0.00 H new ATOM 288 N GLY A 532 -9.841 6.486 -7.741 1.00 0.00 N ATOM 289 CA GLY A 532 -9.307 7.714 -7.192 1.00 0.00 C ATOM 290 C GLY A 532 -8.345 7.471 -6.055 1.00 0.00 C ATOM 291 O GLY A 532 -7.477 8.297 -5.783 1.00 0.00 O ATOM 0 H GLY A 532 -9.234 5.671 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -8.799 8.269 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.129 8.338 -6.841 1.00 0.00 H new ATOM 295 N TRP A 533 -8.507 6.342 -5.380 1.00 0.00 N ATOM 296 CA TRP A 533 -7.610 5.963 -4.298 1.00 0.00 C ATOM 297 C TRP A 533 -6.200 5.744 -4.825 1.00 0.00 C ATOM 298 O TRP A 533 -6.008 5.472 -6.011 1.00 0.00 O ATOM 299 CB TRP A 533 -8.091 4.675 -3.639 1.00 0.00 C ATOM 300 CG TRP A 533 -9.417 4.794 -2.961 1.00 0.00 C ATOM 301 CD1 TRP A 533 -10.644 4.862 -3.555 1.00 0.00 C ATOM 302 CD2 TRP A 533 -9.648 4.834 -1.553 1.00 0.00 C ATOM 303 NE1 TRP A 533 -11.622 4.968 -2.599 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.037 4.944 -1.360 1.00 0.00 C ATOM 305 CE3 TRP A 533 -8.813 4.790 -0.435 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -11.609 5.011 -0.093 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -9.380 4.853 0.820 1.00 0.00 C ATOM 308 CH2 TRP A 533 -10.766 4.962 0.984 1.00 0.00 C ATOM 0 H TRP A 533 -9.253 5.671 -5.563 1.00 0.00 H new ATOM 0 HA TRP A 533 -7.605 6.772 -3.568 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.151 3.893 -4.396 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.349 4.355 -2.908 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -10.819 4.836 -4.620 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -12.622 5.051 -2.781 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -7.742 4.708 -0.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -12.678 5.098 0.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -8.744 4.818 1.692 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.179 5.008 1.981 1.00 0.00 H new ATOM 319 N ARG A 534 -5.215 5.857 -3.949 1.00 0.00 N ATOM 320 CA ARG A 534 -3.839 5.573 -4.309 1.00 0.00 C ATOM 321 C ARG A 534 -3.208 4.706 -3.235 1.00 0.00 C ATOM 322 O ARG A 534 -3.683 4.678 -2.098 1.00 0.00 O ATOM 323 CB ARG A 534 -3.040 6.869 -4.477 1.00 0.00 C ATOM 324 CG ARG A 534 -3.333 7.608 -5.772 1.00 0.00 C ATOM 325 CD ARG A 534 -2.885 6.801 -6.979 1.00 0.00 C ATOM 326 NE ARG A 534 -3.115 7.506 -8.237 1.00 0.00 N ATOM 327 CZ ARG A 534 -2.528 7.180 -9.387 1.00 0.00 C ATOM 328 NH1 ARG A 534 -1.648 6.183 -9.431 1.00 0.00 N ATOM 329 NH2 ARG A 534 -2.812 7.856 -10.491 1.00 0.00 N ATOM 0 H ARG A 534 -5.346 6.145 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 534 -3.826 5.043 -5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.255 7.529 -3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -1.976 6.637 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -4.401 7.812 -5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -2.824 8.572 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -1.824 6.569 -6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -3.419 5.851 -6.996 1.00 0.00 H new ATOM 0 HE ARG A 534 -3.763 8.294 -8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -1.421 5.665 -8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -1.201 5.936 -10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -3.480 8.626 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -2.362 7.606 -11.372 1.00 0.00 H new ATOM 343 N ARG A 535 -2.140 4.010 -3.589 1.00 0.00 N ATOM 344 CA ARG A 535 -1.461 3.156 -2.637 1.00 0.00 C ATOM 345 C ARG A 535 0.038 3.201 -2.870 1.00 0.00 C ATOM 346 O ARG A 535 0.511 2.875 -3.957 1.00 0.00 O ATOM 347 CB ARG A 535 -1.957 1.724 -2.812 1.00 0.00 C ATOM 348 CG ARG A 535 -1.416 0.746 -1.791 1.00 0.00 C ATOM 349 CD ARG A 535 -1.185 -0.611 -2.423 1.00 0.00 C ATOM 350 NE ARG A 535 -1.186 -1.696 -1.444 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.380 -2.758 -1.501 1.00 0.00 C ATOM 352 NH1 ARG A 535 0.442 -2.926 -2.531 1.00 0.00 N ATOM 353 NH2 ARG A 535 -0.421 -3.663 -0.534 1.00 0.00 N ATOM 0 H ARG A 535 -1.729 4.021 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 535 -1.672 3.505 -1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.046 1.720 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -1.685 1.377 -3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -0.481 1.124 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -2.117 0.652 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -1.960 -0.797 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.231 -0.604 -2.951 1.00 0.00 H new ATOM 0 HE ARG A 535 -1.845 -1.638 -0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.460 -2.240 -3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 535 1.055 -3.741 -2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.066 -3.545 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 535 0.192 -4.477 -0.571 1.00 0.00 H new ATOM 367 N GLU A 536 0.781 3.607 -1.863 1.00 0.00 N ATOM 368 CA GLU A 536 2.226 3.661 -1.944 1.00 0.00 C ATOM 369 C GLU A 536 2.807 2.616 -1.011 1.00 0.00 C ATOM 370 O GLU A 536 2.307 2.428 0.090 1.00 0.00 O ATOM 371 CB GLU A 536 2.736 5.041 -1.528 1.00 0.00 C ATOM 372 CG GLU A 536 2.316 6.157 -2.463 1.00 0.00 C ATOM 373 CD GLU A 536 2.875 7.505 -2.049 1.00 0.00 C ATOM 374 OE1 GLU A 536 3.863 7.546 -1.282 1.00 0.00 O ATOM 375 OE2 GLU A 536 2.338 8.536 -2.502 1.00 0.00 O ATOM 0 H GLU A 536 0.402 3.909 -0.966 1.00 0.00 H new ATOM 0 HA GLU A 536 2.532 3.469 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 536 2.373 5.265 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.824 5.015 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 536 2.650 5.924 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 536 1.228 6.212 -2.492 1.00 0.00 H new ATOM 382 N VAL A 537 3.842 1.928 -1.442 1.00 0.00 N ATOM 383 CA VAL A 537 4.492 0.951 -0.592 1.00 0.00 C ATOM 384 C VAL A 537 5.925 1.372 -0.364 1.00 0.00 C ATOM 385 O VAL A 537 6.725 1.442 -1.293 1.00 0.00 O ATOM 386 CB VAL A 537 4.457 -0.473 -1.193 1.00 0.00 C ATOM 387 CG1 VAL A 537 5.126 -1.472 -0.259 1.00 0.00 C ATOM 388 CG2 VAL A 537 3.027 -0.900 -1.483 1.00 0.00 C ATOM 0 H VAL A 537 4.251 2.025 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 537 3.946 0.915 0.351 1.00 0.00 H new ATOM 0 HB VAL A 537 5.011 -0.455 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 537 5.089 -2.467 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 537 6.165 -1.183 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 537 4.603 -1.482 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 537 3.026 -1.905 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 537 2.451 -0.895 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.578 -0.207 -2.194 1.00 0.00 H new ATOM 398 N ARG A 538 6.231 1.668 0.872 1.00 0.00 N ATOM 399 CA ARG A 538 7.527 2.207 1.213 1.00 0.00 C ATOM 400 C ARG A 538 8.370 1.159 1.913 1.00 0.00 C ATOM 401 O ARG A 538 7.994 0.645 2.966 1.00 0.00 O ATOM 402 CB ARG A 538 7.352 3.469 2.058 1.00 0.00 C ATOM 403 CG ARG A 538 6.572 4.542 1.317 1.00 0.00 C ATOM 404 CD ARG A 538 6.413 5.817 2.122 1.00 0.00 C ATOM 405 NE ARG A 538 5.644 6.812 1.376 1.00 0.00 N ATOM 406 CZ ARG A 538 5.654 8.117 1.629 1.00 0.00 C ATOM 407 NH1 ARG A 538 6.380 8.602 2.631 1.00 0.00 N ATOM 408 NH2 ARG A 538 4.935 8.935 0.870 1.00 0.00 N ATOM 0 H ARG A 538 5.600 1.545 1.664 1.00 0.00 H new ATOM 0 HA ARG A 538 8.059 2.486 0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 538 6.834 3.217 2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 538 8.331 3.859 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 538 7.079 4.771 0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 538 5.586 4.155 1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 538 5.912 5.597 3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 538 7.395 6.221 2.369 1.00 0.00 H new ATOM 0 HE ARG A 538 5.059 6.482 0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 538 6.934 7.972 3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 538 6.383 9.604 2.820 1.00 0.00 H new ATOM 0 HH21 ARG A 538 4.381 8.561 0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 538 4.937 9.938 1.057 1.00 0.00 H new ATOM 422 N ILE A 539 9.503 0.833 1.307 1.00 0.00 N ATOM 423 CA ILE A 539 10.371 -0.199 1.831 1.00 0.00 C ATOM 424 C ILE A 539 11.682 0.407 2.311 1.00 0.00 C ATOM 425 O ILE A 539 12.390 1.083 1.561 1.00 0.00 O ATOM 426 CB ILE A 539 10.672 -1.262 0.761 1.00 0.00 C ATOM 427 CG1 ILE A 539 9.375 -1.731 0.098 1.00 0.00 C ATOM 428 CG2 ILE A 539 11.406 -2.440 1.381 1.00 0.00 C ATOM 429 CD1 ILE A 539 9.580 -2.778 -0.973 1.00 0.00 C ATOM 0 H ILE A 539 9.839 1.273 0.450 1.00 0.00 H new ATOM 0 HA ILE A 539 9.856 -0.672 2.667 1.00 0.00 H new ATOM 0 HB ILE A 539 11.310 -0.817 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 539 8.712 -2.133 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.870 -0.870 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 539 11.613 -3.185 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 539 12.345 -2.096 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.787 -2.885 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.616 -3.060 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 539 10.217 -2.374 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 539 10.056 -3.656 -0.537 1.00 0.00 H new ATOM 441 N LYS A 540 11.985 0.162 3.565 1.00 0.00 N ATOM 442 CA LYS A 540 13.202 0.681 4.162 1.00 0.00 C ATOM 443 C LYS A 540 13.984 -0.396 4.890 1.00 0.00 C ATOM 444 O LYS A 540 13.413 -1.337 5.445 1.00 0.00 O ATOM 445 CB LYS A 540 12.878 1.844 5.103 1.00 0.00 C ATOM 446 CG LYS A 540 11.905 1.495 6.219 1.00 0.00 C ATOM 447 CD LYS A 540 11.518 2.728 7.022 1.00 0.00 C ATOM 448 CE LYS A 540 12.742 3.445 7.572 1.00 0.00 C ATOM 449 NZ LYS A 540 12.377 4.647 8.363 1.00 0.00 N ATOM 0 H LYS A 540 11.407 -0.394 4.195 1.00 0.00 H new ATOM 0 HA LYS A 540 13.835 1.045 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 540 13.806 2.207 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 540 12.462 2.664 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 540 11.010 1.039 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 540 12.357 0.755 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 540 10.949 3.410 6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 540 10.866 2.437 7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 540 13.312 2.759 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 540 13.391 3.738 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 13.241 5.104 8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 11.855 5.314 7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 11.779 4.366 9.166 1.00 0.00 H new ATOM 463 N LYS A 541 15.298 -0.252 4.869 1.00 0.00 N ATOM 464 CA LYS A 541 16.149 -1.179 5.585 1.00 0.00 C ATOM 465 C LYS A 541 16.077 -0.862 7.069 1.00 0.00 C ATOM 466 O LYS A 541 16.323 0.273 7.480 1.00 0.00 O ATOM 467 CB LYS A 541 17.597 -1.083 5.095 1.00 0.00 C ATOM 468 CG LYS A 541 18.566 -1.948 5.886 1.00 0.00 C ATOM 469 CD LYS A 541 18.246 -3.424 5.740 1.00 0.00 C ATOM 470 CE LYS A 541 19.124 -4.282 6.635 1.00 0.00 C ATOM 471 NZ LYS A 541 20.566 -4.163 6.295 1.00 0.00 N ATOM 0 H LYS A 541 15.791 0.489 4.370 1.00 0.00 H new ATOM 0 HA LYS A 541 15.803 -2.197 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 541 17.637 -1.374 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 541 17.922 -0.044 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 541 19.584 -1.760 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 541 18.527 -1.669 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 541 17.198 -3.595 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 541 18.382 -3.725 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.973 -3.991 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 541 18.818 -5.325 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 21.114 -4.841 6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 20.702 -4.368 5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 20.892 -3.197 6.500 1.00 0.00 H new ATOM 485 N GLY A 542 15.732 -1.854 7.863 1.00 0.00 N ATOM 486 CA GLY A 542 15.560 -1.629 9.277 1.00 0.00 C ATOM 487 C GLY A 542 16.793 -1.994 10.068 1.00 0.00 C ATOM 488 O GLY A 542 17.706 -2.642 9.550 1.00 0.00 O ATOM 0 H GLY A 542 15.567 -2.812 7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 542 15.318 -0.580 9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 542 14.714 -2.215 9.636 1.00 0.00 H new ATOM 492 N SER A 543 16.815 -1.582 11.324 1.00 0.00 N ATOM 493 CA SER A 543 17.932 -1.864 12.208 1.00 0.00 C ATOM 494 C SER A 543 17.951 -3.339 12.588 1.00 0.00 C ATOM 495 O SER A 543 18.968 -3.868 13.036 1.00 0.00 O ATOM 496 CB SER A 543 17.824 -0.993 13.459 1.00 0.00 C ATOM 497 OG SER A 543 17.631 0.369 13.107 1.00 0.00 O ATOM 0 H SER A 543 16.063 -1.046 11.757 1.00 0.00 H new ATOM 0 HA SER A 543 18.864 -1.634 11.691 1.00 0.00 H new ATOM 0 HB2 SER A 543 16.993 -1.336 14.076 1.00 0.00 H new ATOM 0 HB3 SER A 543 18.729 -1.094 14.058 1.00 0.00 H new ATOM 0 HG SER A 543 17.562 0.911 13.921 1.00 0.00 H new ATOM 503 N HIS A 544 16.816 -3.997 12.403 1.00 0.00 N ATOM 504 CA HIS A 544 16.694 -5.403 12.734 1.00 0.00 C ATOM 505 C HIS A 544 16.594 -6.244 11.470 1.00 0.00 C ATOM 506 O HIS A 544 17.372 -7.177 11.269 1.00 0.00 O ATOM 507 CB HIS A 544 15.468 -5.635 13.621 1.00 0.00 C ATOM 508 CG HIS A 544 15.459 -4.780 14.849 1.00 0.00 C ATOM 509 ND1 HIS A 544 16.155 -5.140 15.976 1.00 0.00 N ATOM 510 CD2 HIS A 544 14.857 -3.584 15.061 1.00 0.00 C ATOM 511 CE1 HIS A 544 15.968 -4.159 16.842 1.00 0.00 C ATOM 512 NE2 HIS A 544 15.187 -3.195 16.333 1.00 0.00 N ATOM 0 H HIS A 544 15.967 -3.576 12.025 1.00 0.00 H new ATOM 0 HA HIS A 544 17.587 -5.706 13.281 1.00 0.00 H new ATOM 0 HB2 HIS A 544 14.566 -5.437 13.042 1.00 0.00 H new ATOM 0 HB3 HIS A 544 15.434 -6.684 13.916 1.00 0.00 H new ATOM 0 HD2 HIS A 544 14.237 -3.042 14.362 1.00 0.00 H new ATOM 0 HE1 HIS A 544 16.391 -4.137 17.835 1.00 0.00 H new ATOM 0 HE2 HIS A 544 14.895 -2.338 16.802 1.00 0.00 H new ATOM 520 N ARG A 545 15.634 -5.901 10.617 1.00 0.00 N ATOM 521 CA ARG A 545 15.368 -6.663 9.400 1.00 0.00 C ATOM 522 C ARG A 545 14.866 -5.748 8.291 1.00 0.00 C ATOM 523 O ARG A 545 14.791 -4.532 8.458 1.00 0.00 O ATOM 524 CB ARG A 545 14.330 -7.761 9.678 1.00 0.00 C ATOM 525 CG ARG A 545 14.812 -8.815 10.660 1.00 0.00 C ATOM 526 CD ARG A 545 13.700 -9.752 11.093 1.00 0.00 C ATOM 527 NE ARG A 545 14.174 -10.725 12.079 1.00 0.00 N ATOM 528 CZ ARG A 545 13.393 -11.610 12.700 1.00 0.00 C ATOM 529 NH1 ARG A 545 12.085 -11.634 12.468 1.00 0.00 N ATOM 530 NH2 ARG A 545 13.924 -12.468 13.563 1.00 0.00 N ATOM 0 H ARG A 545 15.023 -5.095 10.747 1.00 0.00 H new ATOM 0 HA ARG A 545 16.300 -7.125 9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 545 13.422 -7.301 10.067 1.00 0.00 H new ATOM 0 HB3 ARG A 545 14.064 -8.245 8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 545 15.614 -9.394 10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 545 15.233 -8.325 11.538 1.00 0.00 H new ATOM 0 HD2 ARG A 545 12.879 -9.173 11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 545 13.305 -10.277 10.223 1.00 0.00 H new ATOM 0 HE ARG A 545 15.168 -10.726 12.306 1.00 0.00 H new ATOM 0 HH11 ARG A 545 11.671 -10.973 11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 545 11.494 -12.314 12.947 1.00 0.00 H new ATOM 0 HH21 ARG A 545 14.927 -12.449 13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 545 13.329 -13.146 14.039 1.00 0.00 H new ATOM 544 N TRP A 546 14.532 -6.347 7.163 1.00 0.00 N ATOM 545 CA TRP A 546 13.958 -5.590 6.062 1.00 0.00 C ATOM 546 C TRP A 546 12.471 -5.405 6.295 1.00 0.00 C ATOM 547 O TRP A 546 11.743 -6.378 6.503 1.00 0.00 O ATOM 548 CB TRP A 546 14.199 -6.281 4.725 1.00 0.00 C ATOM 549 CG TRP A 546 15.532 -5.965 4.136 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.711 -6.602 4.382 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.821 -4.918 3.205 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.717 -6.019 3.653 1.00 0.00 N ATOM 553 CE2 TRP A 546 17.196 -4.984 2.921 1.00 0.00 C ATOM 554 CE3 TRP A 546 15.049 -3.932 2.580 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.816 -4.103 2.041 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.666 -3.057 1.707 1.00 0.00 C ATOM 557 CH2 TRP A 546 17.039 -3.148 1.444 1.00 0.00 C ATOM 0 H TRP A 546 14.646 -7.345 6.984 1.00 0.00 H new ATOM 0 HA TRP A 546 14.447 -4.616 6.024 1.00 0.00 H new ATOM 0 HB2 TRP A 546 14.114 -7.359 4.859 1.00 0.00 H new ATOM 0 HB3 TRP A 546 13.419 -5.985 4.024 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.835 -7.441 5.051 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.695 -6.309 3.656 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.990 -3.857 2.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.874 -4.170 1.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 15.081 -2.291 1.220 1.00 0.00 H new ATOM 0 HH2 TRP A 546 17.493 -2.450 0.756 1.00 0.00 H new ATOM 568 N GLN A 547 12.018 -4.162 6.278 1.00 0.00 N ATOM 569 CA GLN A 547 10.622 -3.867 6.526 1.00 0.00 C ATOM 570 C GLN A 547 10.020 -3.033 5.405 1.00 0.00 C ATOM 571 O GLN A 547 10.725 -2.345 4.667 1.00 0.00 O ATOM 572 CB GLN A 547 10.481 -3.133 7.860 1.00 0.00 C ATOM 573 CG GLN A 547 11.313 -1.864 7.940 1.00 0.00 C ATOM 574 CD GLN A 547 11.286 -1.232 9.315 1.00 0.00 C ATOM 575 OE1 GLN A 547 12.113 -1.542 10.173 1.00 0.00 O ATOM 576 NE2 GLN A 547 10.334 -0.341 9.536 1.00 0.00 N ATOM 0 H GLN A 547 12.599 -3.344 6.095 1.00 0.00 H new ATOM 0 HA GLN A 547 10.077 -4.810 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 547 9.432 -2.882 8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 547 10.775 -3.803 8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 547 12.344 -2.093 7.670 1.00 0.00 H new ATOM 0 HG3 GLN A 547 10.944 -1.146 7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 547 9.668 -0.112 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 547 10.266 0.118 10.445 1.00 0.00 H new ATOM 585 N GLY A 548 8.709 -3.101 5.302 1.00 0.00 N ATOM 586 CA GLY A 548 7.987 -2.333 4.319 1.00 0.00 C ATOM 587 C GLY A 548 6.600 -2.009 4.805 1.00 0.00 C ATOM 588 O GLY A 548 6.020 -2.771 5.580 1.00 0.00 O ATOM 0 H GLY A 548 8.121 -3.687 5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 548 8.526 -1.410 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.928 -2.893 3.385 1.00 0.00 H new ATOM 592 N GLU A 549 6.060 -0.894 4.357 1.00 0.00 N ATOM 593 CA GLU A 549 4.738 -0.484 4.785 1.00 0.00 C ATOM 594 C GLU A 549 3.928 0.025 3.608 1.00 0.00 C ATOM 595 O GLU A 549 4.464 0.573 2.645 1.00 0.00 O ATOM 596 CB GLU A 549 4.821 0.583 5.877 1.00 0.00 C ATOM 597 CG GLU A 549 5.284 1.930 5.367 1.00 0.00 C ATOM 598 CD GLU A 549 5.634 2.889 6.485 1.00 0.00 C ATOM 599 OE1 GLU A 549 4.722 3.573 6.996 1.00 0.00 O ATOM 600 OE2 GLU A 549 6.821 2.966 6.860 1.00 0.00 O ATOM 0 H GLU A 549 6.513 -0.258 3.700 1.00 0.00 H new ATOM 0 HA GLU A 549 4.235 -1.357 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 549 3.841 0.695 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 549 5.504 0.243 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 549 6.155 1.792 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 549 4.501 2.369 4.749 1.00 0.00 H new ATOM 607 N THR A 550 2.642 -0.188 3.698 1.00 0.00 N ATOM 608 CA THR A 550 1.730 0.211 2.649 1.00 0.00 C ATOM 609 C THR A 550 0.885 1.402 3.083 1.00 0.00 C ATOM 610 O THR A 550 0.275 1.395 4.149 1.00 0.00 O ATOM 611 CB THR A 550 0.819 -0.950 2.241 1.00 0.00 C ATOM 612 OG1 THR A 550 1.599 -1.988 1.636 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.253 -0.477 1.280 1.00 0.00 C ATOM 0 H THR A 550 2.195 -0.641 4.495 1.00 0.00 H new ATOM 0 HA THR A 550 2.331 0.503 1.788 1.00 0.00 H new ATOM 0 HB THR A 550 0.331 -1.341 3.134 1.00 0.00 H new ATOM 0 HG1 THR A 550 1.635 -2.762 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 550 -0.889 -1.317 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 550 -0.857 0.293 1.759 1.00 0.00 H new ATOM 0 HG23 THR A 550 0.216 -0.066 0.386 1.00 0.00 H new ATOM 621 N TRP A 551 0.917 2.443 2.274 1.00 0.00 N ATOM 622 CA TRP A 551 0.153 3.640 2.544 1.00 0.00 C ATOM 623 C TRP A 551 -0.997 3.766 1.550 1.00 0.00 C ATOM 624 O TRP A 551 -0.907 3.330 0.402 1.00 0.00 O ATOM 625 CB TRP A 551 1.033 4.887 2.466 1.00 0.00 C ATOM 626 CG TRP A 551 1.740 5.191 3.745 1.00 0.00 C ATOM 627 CD1 TRP A 551 2.646 4.403 4.381 1.00 0.00 C ATOM 628 CD2 TRP A 551 1.596 6.370 4.547 1.00 0.00 C ATOM 629 NE1 TRP A 551 3.073 5.011 5.534 1.00 0.00 N ATOM 630 CE2 TRP A 551 2.447 6.223 5.657 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.831 7.536 4.434 1.00 0.00 C ATOM 632 CZ2 TRP A 551 2.555 7.195 6.648 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.940 8.500 5.419 1.00 0.00 C ATOM 634 CH2 TRP A 551 1.797 8.325 6.513 1.00 0.00 C ATOM 0 H TRP A 551 1.470 2.481 1.418 1.00 0.00 H new ATOM 0 HA TRP A 551 -0.245 3.560 3.555 1.00 0.00 H new ATOM 0 HB2 TRP A 551 1.770 4.754 1.674 1.00 0.00 H new ATOM 0 HB3 TRP A 551 0.416 5.742 2.188 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.981 3.438 4.030 1.00 0.00 H new ATOM 0 HE1 TRP A 551 3.748 4.623 6.193 1.00 0.00 H new ATOM 0 HE3 TRP A 551 0.168 7.680 3.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 3.214 7.061 7.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 0.354 9.404 5.344 1.00 0.00 H new ATOM 0 HH2 TRP A 551 1.860 9.098 7.265 1.00 0.00 H new ATOM 645 N TYR A 552 -2.062 4.370 2.023 1.00 0.00 N ATOM 646 CA TYR A 552 -3.222 4.657 1.191 1.00 0.00 C ATOM 647 C TYR A 552 -3.661 6.096 1.387 1.00 0.00 C ATOM 648 O TYR A 552 -3.395 6.703 2.425 1.00 0.00 O ATOM 649 CB TYR A 552 -4.388 3.715 1.523 1.00 0.00 C ATOM 650 CG TYR A 552 -4.393 2.387 0.778 1.00 0.00 C ATOM 651 CD1 TYR A 552 -3.681 1.287 1.246 1.00 0.00 C ATOM 652 CD2 TYR A 552 -5.151 2.225 -0.376 1.00 0.00 C ATOM 653 CE1 TYR A 552 -3.722 0.075 0.585 1.00 0.00 C ATOM 654 CE2 TYR A 552 -5.201 1.011 -1.037 1.00 0.00 C ATOM 655 CZ TYR A 552 -4.487 -0.060 -0.551 1.00 0.00 C ATOM 656 OH TYR A 552 -4.534 -1.272 -1.204 1.00 0.00 O ATOM 0 H TYR A 552 -2.155 4.678 2.991 1.00 0.00 H new ATOM 0 HA TYR A 552 -2.936 4.501 0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -4.373 3.511 2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -5.323 4.234 1.311 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -3.086 1.383 2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -5.711 3.063 -0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -3.155 -0.765 0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -5.798 0.904 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 552 -5.120 -1.200 -1.986 1.00 0.00 H new ATOM 666 N TYR A 553 -4.321 6.652 0.390 1.00 0.00 N ATOM 667 CA TYR A 553 -4.822 8.010 0.475 1.00 0.00 C ATOM 668 C TYR A 553 -6.259 8.071 -0.018 1.00 0.00 C ATOM 669 O TYR A 553 -6.583 7.526 -1.076 1.00 0.00 O ATOM 670 CB TYR A 553 -3.953 8.964 -0.355 1.00 0.00 C ATOM 671 CG TYR A 553 -2.513 9.083 0.109 1.00 0.00 C ATOM 672 CD1 TYR A 553 -1.579 8.087 -0.163 1.00 0.00 C ATOM 673 CD2 TYR A 553 -2.086 10.203 0.810 1.00 0.00 C ATOM 674 CE1 TYR A 553 -0.266 8.206 0.255 1.00 0.00 C ATOM 675 CE2 TYR A 553 -0.776 10.328 1.232 1.00 0.00 C ATOM 676 CZ TYR A 553 0.130 9.328 0.951 1.00 0.00 C ATOM 677 OH TYR A 553 1.437 9.453 1.367 1.00 0.00 O ATOM 0 H TYR A 553 -4.524 6.182 -0.492 1.00 0.00 H new ATOM 0 HA TYR A 553 -4.784 8.320 1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -3.959 8.628 -1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -4.408 9.954 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -1.885 7.207 -0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -2.791 10.991 1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.446 7.423 0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -0.464 11.205 1.779 1.00 0.00 H new ATOM 0 HH TYR A 553 1.556 8.982 2.218 1.00 0.00 H new ATOM 687 N GLY A 554 -7.116 8.717 0.759 1.00 0.00 N ATOM 688 CA GLY A 554 -8.486 8.910 0.344 1.00 0.00 C ATOM 689 C GLY A 554 -8.584 9.939 -0.764 1.00 0.00 C ATOM 690 O GLY A 554 -8.012 11.022 -0.649 1.00 0.00 O ATOM 0 H GLY A 554 -6.884 9.111 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -8.902 7.962 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -9.085 9.231 1.196 1.00 0.00 H new ATOM 694 N PRO A 555 -9.307 9.635 -1.849 1.00 0.00 N ATOM 695 CA PRO A 555 -9.394 10.524 -3.013 1.00 0.00 C ATOM 696 C PRO A 555 -10.124 11.822 -2.692 1.00 0.00 C ATOM 697 O PRO A 555 -9.874 12.863 -3.300 1.00 0.00 O ATOM 698 CB PRO A 555 -10.192 9.704 -4.031 1.00 0.00 C ATOM 699 CG PRO A 555 -10.970 8.729 -3.214 1.00 0.00 C ATOM 700 CD PRO A 555 -10.105 8.408 -2.029 1.00 0.00 C ATOM 0 HA PRO A 555 -8.409 10.827 -3.368 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -10.852 10.340 -4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -9.531 9.194 -4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -11.923 9.155 -2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -11.197 7.830 -3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -10.701 8.183 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -9.472 7.540 -2.216 1.00 0.00 H new ATOM 708 N CYS A 556 -11.006 11.751 -1.709 1.00 0.00 N ATOM 709 CA CYS A 556 -11.864 12.867 -1.357 1.00 0.00 C ATOM 710 C CYS A 556 -11.634 13.324 0.080 1.00 0.00 C ATOM 711 O CYS A 556 -12.356 14.182 0.586 1.00 0.00 O ATOM 712 CB CYS A 556 -13.330 12.475 -1.564 1.00 0.00 C ATOM 713 SG CYS A 556 -13.758 10.844 -0.903 1.00 0.00 S ATOM 0 H CYS A 556 -11.146 10.920 -1.135 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.616 13.705 -2.009 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.966 13.225 -1.093 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.553 12.493 -2.631 1.00 0.00 H new ATOM 0 HG CYS A 556 -13.013 10.585 0.131 1.00 0.00 H new ATOM 719 N GLY A 557 -10.632 12.757 0.748 1.00 0.00 N ATOM 720 CA GLY A 557 -10.488 13.002 2.167 1.00 0.00 C ATOM 721 C GLY A 557 -9.073 12.793 2.672 1.00 0.00 C ATOM 722 O GLY A 557 -8.101 13.048 1.958 1.00 0.00 O ATOM 0 H GLY A 557 -9.929 12.142 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -10.797 14.024 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.162 12.342 2.713 1.00 0.00 H new ATOM 726 N LYS A 558 -8.976 12.316 3.904 1.00 0.00 N ATOM 727 CA LYS A 558 -7.684 12.121 4.562 1.00 0.00 C ATOM 728 C LYS A 558 -6.957 10.896 4.018 1.00 0.00 C ATOM 729 O LYS A 558 -7.428 10.240 3.088 1.00 0.00 O ATOM 730 CB LYS A 558 -7.843 11.993 6.081 1.00 0.00 C ATOM 731 CG LYS A 558 -8.685 10.809 6.538 1.00 0.00 C ATOM 732 CD LYS A 558 -10.124 11.218 6.790 1.00 0.00 C ATOM 733 CE LYS A 558 -10.852 10.192 7.637 1.00 0.00 C ATOM 734 NZ LYS A 558 -12.146 10.716 8.139 1.00 0.00 N ATOM 0 H LYS A 558 -9.780 12.054 4.475 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.085 13.006 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -6.853 11.912 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -8.292 12.909 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -8.655 10.025 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -8.260 10.388 7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -10.146 12.186 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -10.641 11.339 5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -11.027 9.292 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -10.224 9.904 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -12.616 9.988 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -11.976 11.561 8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -12.755 10.967 7.334 1.00 0.00 H new ATOM 748 N ARG A 559 -5.807 10.589 4.606 1.00 0.00 N ATOM 749 CA ARG A 559 -5.038 9.430 4.190 1.00 0.00 C ATOM 750 C ARG A 559 -4.986 8.402 5.315 1.00 0.00 C ATOM 751 O ARG A 559 -4.936 8.754 6.499 1.00 0.00 O ATOM 752 CB ARG A 559 -3.619 9.827 3.746 1.00 0.00 C ATOM 753 CG ARG A 559 -2.565 9.803 4.847 1.00 0.00 C ATOM 754 CD ARG A 559 -2.753 10.920 5.862 1.00 0.00 C ATOM 755 NE ARG A 559 -1.819 10.800 6.980 1.00 0.00 N ATOM 756 CZ ARG A 559 -0.706 11.522 7.113 1.00 0.00 C ATOM 757 NH1 ARG A 559 -0.395 12.456 6.217 1.00 0.00 N ATOM 758 NH2 ARG A 559 0.090 11.317 8.154 1.00 0.00 N ATOM 0 H ARG A 559 -5.391 11.125 5.368 1.00 0.00 H new ATOM 0 HA ARG A 559 -5.537 8.983 3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -3.304 9.155 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -3.656 10.830 3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -2.602 8.842 5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -1.575 9.887 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -2.612 11.884 5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -3.776 10.900 6.239 1.00 0.00 H new ATOM 0 HE ARG A 559 -2.033 10.118 7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -1.010 12.624 5.421 1.00 0.00 H new ATOM 0 HH12 ARG A 559 0.458 13.004 6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -0.150 10.610 8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 559 0.943 11.867 8.260 1.00 0.00 H new ATOM 772 N MET A 560 -5.032 7.137 4.940 1.00 0.00 N ATOM 773 CA MET A 560 -4.997 6.061 5.909 1.00 0.00 C ATOM 774 C MET A 560 -3.882 5.084 5.572 1.00 0.00 C ATOM 775 O MET A 560 -3.616 4.823 4.406 1.00 0.00 O ATOM 776 CB MET A 560 -6.346 5.334 5.943 1.00 0.00 C ATOM 777 CG MET A 560 -7.527 6.218 6.347 1.00 0.00 C ATOM 778 SD MET A 560 -8.051 7.368 5.056 1.00 0.00 S ATOM 779 CE MET A 560 -8.351 6.240 3.702 1.00 0.00 C ATOM 0 H MET A 560 -5.094 6.831 3.969 1.00 0.00 H new ATOM 0 HA MET A 560 -4.803 6.485 6.894 1.00 0.00 H new ATOM 0 HB2 MET A 560 -6.543 4.912 4.957 1.00 0.00 H new ATOM 0 HB3 MET A 560 -6.278 4.498 6.639 1.00 0.00 H new ATOM 0 HG2 MET A 560 -8.369 5.582 6.618 1.00 0.00 H new ATOM 0 HG3 MET A 560 -7.257 6.785 7.238 1.00 0.00 H new ATOM 0 HE1 MET A 560 -9.147 6.634 3.070 1.00 0.00 H new ATOM 0 HE2 MET A 560 -7.441 6.129 3.113 1.00 0.00 H new ATOM 0 HE3 MET A 560 -8.649 5.269 4.097 1.00 0.00 H new ATOM 789 N LYS A 561 -3.230 4.536 6.584 1.00 0.00 N ATOM 790 CA LYS A 561 -2.202 3.537 6.347 1.00 0.00 C ATOM 791 C LYS A 561 -2.373 2.378 7.317 1.00 0.00 C ATOM 792 O LYS A 561 -1.543 1.472 7.398 1.00 0.00 O ATOM 793 CB LYS A 561 -0.797 4.145 6.426 1.00 0.00 C ATOM 794 CG LYS A 561 -0.413 4.758 7.772 1.00 0.00 C ATOM 795 CD LYS A 561 0.085 3.712 8.759 1.00 0.00 C ATOM 796 CE LYS A 561 1.407 3.093 8.322 1.00 0.00 C ATOM 797 NZ LYS A 561 2.524 4.071 8.372 1.00 0.00 N ATOM 0 H LYS A 561 -3.391 4.762 7.565 1.00 0.00 H new ATOM 0 HA LYS A 561 -2.317 3.154 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.072 3.369 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -0.711 4.915 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 561 0.362 5.509 7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -1.276 5.272 8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 561 0.207 4.170 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -0.665 2.928 8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 561 1.640 2.244 8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.309 2.707 7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 3.420 3.585 8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 2.364 4.817 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 2.571 4.496 9.320 1.00 0.00 H new ATOM 811 N GLN A 562 -3.476 2.423 8.040 1.00 0.00 N ATOM 812 CA GLN A 562 -3.839 1.355 8.944 1.00 0.00 C ATOM 813 C GLN A 562 -5.156 0.749 8.504 1.00 0.00 C ATOM 814 O GLN A 562 -6.033 1.453 7.999 1.00 0.00 O ATOM 815 CB GLN A 562 -3.968 1.865 10.380 1.00 0.00 C ATOM 816 CG GLN A 562 -2.752 2.619 10.900 1.00 0.00 C ATOM 817 CD GLN A 562 -1.668 1.728 11.492 1.00 0.00 C ATOM 818 OE1 GLN A 562 -1.535 0.509 11.000 1.00 0.00 O flip ATOM 819 NE2 GLN A 562 -0.954 2.139 12.405 1.00 0.00 N flip ATOM 0 H GLN A 562 -4.140 3.197 8.016 1.00 0.00 H new ATOM 0 HA GLN A 562 -3.052 0.602 8.918 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -4.838 2.519 10.442 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -4.160 1.016 11.036 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -2.323 3.200 10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.077 3.329 11.660 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -1.080 3.085 12.764 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -0.236 1.534 12.803 1.00 0.00 H new ATOM 828 N PHE A 563 -5.286 -0.550 8.697 1.00 0.00 N ATOM 829 CA PHE A 563 -6.520 -1.257 8.389 1.00 0.00 C ATOM 830 C PHE A 563 -7.727 -0.618 9.096 1.00 0.00 C ATOM 831 O PHE A 563 -8.732 -0.323 8.448 1.00 0.00 O ATOM 832 CB PHE A 563 -6.386 -2.732 8.775 1.00 0.00 C ATOM 833 CG PHE A 563 -7.526 -3.590 8.306 1.00 0.00 C ATOM 834 CD1 PHE A 563 -8.052 -3.433 7.033 1.00 0.00 C ATOM 835 CD2 PHE A 563 -8.060 -4.564 9.133 1.00 0.00 C ATOM 836 CE1 PHE A 563 -9.088 -4.231 6.596 1.00 0.00 C ATOM 837 CE2 PHE A 563 -9.101 -5.363 8.700 1.00 0.00 C ATOM 838 CZ PHE A 563 -9.615 -5.196 7.430 1.00 0.00 C ATOM 0 H PHE A 563 -4.545 -1.144 9.069 1.00 0.00 H new ATOM 0 HA PHE A 563 -6.695 -1.185 7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -5.456 -3.123 8.361 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -6.309 -2.808 9.860 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -7.646 -2.678 6.377 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -7.659 -4.701 10.126 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -9.487 -4.101 5.601 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -9.512 -6.117 9.355 1.00 0.00 H new ATOM 0 HZ PHE A 563 -10.428 -5.820 7.089 1.00 0.00 H new ATOM 848 N PRO A 564 -7.645 -0.363 10.426 1.00 0.00 N ATOM 849 CA PRO A 564 -8.756 0.236 11.182 1.00 0.00 C ATOM 850 C PRO A 564 -9.087 1.653 10.720 1.00 0.00 C ATOM 851 O PRO A 564 -10.150 2.183 11.039 1.00 0.00 O ATOM 852 CB PRO A 564 -8.248 0.252 12.626 1.00 0.00 C ATOM 853 CG PRO A 564 -6.768 0.212 12.502 1.00 0.00 C ATOM 854 CD PRO A 564 -6.489 -0.634 11.303 1.00 0.00 C ATOM 0 HA PRO A 564 -9.679 -0.328 11.047 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -8.578 1.148 13.153 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -8.622 -0.604 13.188 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -6.358 1.214 12.379 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -6.311 -0.212 13.396 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -5.548 -0.360 10.826 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -6.419 -1.690 11.562 1.00 0.00 H new ATOM 862 N GLU A 565 -8.192 2.254 9.943 1.00 0.00 N ATOM 863 CA GLU A 565 -8.425 3.581 9.385 1.00 0.00 C ATOM 864 C GLU A 565 -9.233 3.499 8.100 1.00 0.00 C ATOM 865 O GLU A 565 -9.950 4.429 7.737 1.00 0.00 O ATOM 866 CB GLU A 565 -7.109 4.296 9.096 1.00 0.00 C ATOM 867 CG GLU A 565 -6.367 4.781 10.323 1.00 0.00 C ATOM 868 CD GLU A 565 -5.252 5.737 9.954 1.00 0.00 C ATOM 869 OE1 GLU A 565 -4.257 5.297 9.336 1.00 0.00 O ATOM 870 OE2 GLU A 565 -5.377 6.942 10.256 1.00 0.00 O ATOM 0 H GLU A 565 -7.296 1.841 9.685 1.00 0.00 H new ATOM 0 HA GLU A 565 -8.986 4.146 10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -6.459 3.621 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -7.310 5.150 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -7.064 5.276 10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -5.953 3.928 10.861 1.00 0.00 H new ATOM 877 N VAL A 566 -9.097 2.395 7.402 1.00 0.00 N ATOM 878 CA VAL A 566 -9.827 2.210 6.164 1.00 0.00 C ATOM 879 C VAL A 566 -11.275 1.809 6.451 1.00 0.00 C ATOM 880 O VAL A 566 -12.209 2.348 5.856 1.00 0.00 O ATOM 881 CB VAL A 566 -9.130 1.188 5.243 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.011 0.843 4.053 1.00 0.00 C ATOM 883 CG2 VAL A 566 -7.786 1.742 4.770 1.00 0.00 C ATOM 0 H VAL A 566 -8.493 1.616 7.665 1.00 0.00 H new ATOM 0 HA VAL A 566 -9.838 3.162 5.633 1.00 0.00 H new ATOM 0 HB VAL A 566 -8.956 0.274 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -9.498 0.121 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -10.949 0.414 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.219 1.747 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -7.301 1.014 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -7.948 2.669 4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.150 1.939 5.633 1.00 0.00 H new ATOM 893 N ILE A 567 -11.455 0.890 7.399 1.00 0.00 N ATOM 894 CA ILE A 567 -12.793 0.410 7.778 1.00 0.00 C ATOM 895 C ILE A 567 -13.666 1.552 8.290 1.00 0.00 C ATOM 896 O ILE A 567 -14.880 1.574 8.074 1.00 0.00 O ATOM 897 CB ILE A 567 -12.731 -0.681 8.867 1.00 0.00 C ATOM 898 CG1 ILE A 567 -11.551 -1.613 8.622 1.00 0.00 C ATOM 899 CG2 ILE A 567 -14.028 -1.481 8.889 1.00 0.00 C ATOM 900 CD1 ILE A 567 -11.570 -2.264 7.259 1.00 0.00 C ATOM 0 H ILE A 567 -10.693 0.459 7.922 1.00 0.00 H new ATOM 0 HA ILE A 567 -13.229 -0.014 6.873 1.00 0.00 H new ATOM 0 HB ILE A 567 -12.599 -0.194 9.833 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -10.624 -1.050 8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -11.547 -2.390 9.387 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -13.970 -2.247 9.662 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.863 -0.814 9.101 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -14.180 -1.955 7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -10.701 -2.914 7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.480 -2.854 7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.543 -1.494 6.488 1.00 0.00 H new ATOM 912 N LYS A 568 -13.030 2.515 8.940 1.00 0.00 N ATOM 913 CA LYS A 568 -13.765 3.660 9.454 1.00 0.00 C ATOM 914 C LYS A 568 -14.164 4.581 8.314 1.00 0.00 C ATOM 915 O LYS A 568 -15.268 5.112 8.295 1.00 0.00 O ATOM 916 CB LYS A 568 -12.969 4.423 10.520 1.00 0.00 C ATOM 917 CG LYS A 568 -11.630 4.930 10.033 1.00 0.00 C ATOM 918 CD LYS A 568 -10.923 5.801 11.066 1.00 0.00 C ATOM 919 CE LYS A 568 -10.552 5.021 12.317 1.00 0.00 C ATOM 920 NZ LYS A 568 -9.811 5.860 13.296 1.00 0.00 N ATOM 0 H LYS A 568 -12.026 2.528 9.122 1.00 0.00 H new ATOM 0 HA LYS A 568 -14.667 3.285 9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -13.563 5.268 10.868 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -12.810 3.770 11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -10.994 4.081 9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -11.774 5.503 9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.022 6.226 10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -11.569 6.636 11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -11.457 4.633 12.784 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -9.942 4.161 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -9.577 5.291 14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -8.934 6.210 12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -10.403 6.667 13.580 1.00 0.00 H new ATOM 934 N TYR A 569 -13.277 4.732 7.337 1.00 0.00 N ATOM 935 CA TYR A 569 -13.490 5.656 6.237 1.00 0.00 C ATOM 936 C TYR A 569 -14.682 5.210 5.408 1.00 0.00 C ATOM 937 O TYR A 569 -15.525 6.023 5.027 1.00 0.00 O ATOM 938 CB TYR A 569 -12.234 5.721 5.363 1.00 0.00 C ATOM 939 CG TYR A 569 -12.243 6.833 4.338 1.00 0.00 C ATOM 940 CD1 TYR A 569 -12.899 6.685 3.122 1.00 0.00 C ATOM 941 CD2 TYR A 569 -11.587 8.029 4.589 1.00 0.00 C ATOM 942 CE1 TYR A 569 -12.897 7.703 2.184 1.00 0.00 C ATOM 943 CE2 TYR A 569 -11.577 9.049 3.661 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.234 8.884 2.460 1.00 0.00 C ATOM 945 OH TYR A 569 -12.217 9.901 1.531 1.00 0.00 O ATOM 0 H TYR A 569 -12.396 4.220 7.288 1.00 0.00 H new ATOM 0 HA TYR A 569 -13.694 6.649 6.639 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -11.364 5.844 6.007 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.116 4.768 4.847 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -13.418 5.763 2.906 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.074 8.164 5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -13.410 7.575 1.242 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.058 9.972 3.874 1.00 0.00 H new ATOM 0 HH TYR A 569 -11.296 10.209 1.400 1.00 0.00 H new ATOM 955 N LEU A 570 -14.759 3.910 5.166 1.00 0.00 N ATOM 956 CA LEU A 570 -15.822 3.335 4.359 1.00 0.00 C ATOM 957 C LEU A 570 -17.162 3.447 5.079 1.00 0.00 C ATOM 958 O LEU A 570 -18.197 3.696 4.464 1.00 0.00 O ATOM 959 CB LEU A 570 -15.513 1.867 4.069 1.00 0.00 C ATOM 960 CG LEU A 570 -14.094 1.575 3.579 1.00 0.00 C ATOM 961 CD1 LEU A 570 -13.923 0.094 3.293 1.00 0.00 C ATOM 962 CD2 LEU A 570 -13.764 2.398 2.348 1.00 0.00 C ATOM 0 H LEU A 570 -14.089 3.228 5.522 1.00 0.00 H new ATOM 0 HA LEU A 570 -15.884 3.886 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -15.690 1.291 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.218 1.507 3.320 1.00 0.00 H new ATOM 0 HG LEU A 570 -13.399 1.857 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -12.907 -0.095 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.107 -0.476 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -14.632 -0.212 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -12.749 2.171 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.466 2.156 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.839 3.458 2.588 1.00 0.00 H new ATOM 974 N SER A 571 -17.130 3.240 6.389 1.00 0.00 N ATOM 975 CA SER A 571 -18.330 3.290 7.213 1.00 0.00 C ATOM 976 C SER A 571 -18.825 4.729 7.400 1.00 0.00 C ATOM 977 O SER A 571 -20.030 4.991 7.365 1.00 0.00 O ATOM 978 CB SER A 571 -18.043 2.637 8.571 1.00 0.00 C ATOM 979 OG SER A 571 -19.195 2.610 9.399 1.00 0.00 O ATOM 0 H SER A 571 -16.276 3.034 6.908 1.00 0.00 H new ATOM 0 HA SER A 571 -19.122 2.739 6.705 1.00 0.00 H new ATOM 0 HB2 SER A 571 -17.683 1.620 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 571 -17.246 3.183 9.075 1.00 0.00 H new ATOM 0 HG SER A 571 -18.973 2.186 10.254 1.00 0.00 H new ATOM 985 N ARG A 572 -17.892 5.654 7.597 1.00 0.00 N ATOM 986 CA ARG A 572 -18.230 7.050 7.871 1.00 0.00 C ATOM 987 C ARG A 572 -18.647 7.784 6.602 1.00 0.00 C ATOM 988 O ARG A 572 -19.619 8.541 6.599 1.00 0.00 O ATOM 989 CB ARG A 572 -17.038 7.761 8.516 1.00 0.00 C ATOM 990 CG ARG A 572 -16.644 7.178 9.863 1.00 0.00 C ATOM 991 CD ARG A 572 -15.388 7.830 10.420 1.00 0.00 C ATOM 992 NE ARG A 572 -15.564 9.267 10.632 1.00 0.00 N ATOM 993 CZ ARG A 572 -15.073 9.935 11.674 1.00 0.00 C ATOM 994 NH1 ARG A 572 -14.369 9.305 12.603 1.00 0.00 N ATOM 995 NH2 ARG A 572 -15.289 11.238 11.783 1.00 0.00 N ATOM 0 H ARG A 572 -16.890 5.463 7.572 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.076 7.060 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.184 7.707 7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -17.279 8.817 8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -17.464 7.309 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -16.481 6.105 9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.121 7.354 11.364 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -14.558 7.664 9.733 1.00 0.00 H new ATOM 0 HE ARG A 572 -16.097 9.790 9.937 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -14.200 8.302 12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -13.996 9.823 13.399 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -15.830 11.727 11.070 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -14.914 11.752 12.580 1.00 0.00 H new ATOM 1009 N ASN A 573 -17.916 7.549 5.526 1.00 0.00 N ATOM 1010 CA ASN A 573 -18.162 8.239 4.267 1.00 0.00 C ATOM 1011 C ASN A 573 -18.993 7.358 3.350 1.00 0.00 C ATOM 1012 O ASN A 573 -19.408 6.268 3.744 1.00 0.00 O ATOM 1013 CB ASN A 573 -16.833 8.600 3.597 1.00 0.00 C ATOM 1014 CG ASN A 573 -15.965 9.483 4.474 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -16.023 10.709 4.398 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -15.165 8.866 5.331 1.00 0.00 N ATOM 0 H ASN A 573 -17.144 6.883 5.497 1.00 0.00 H new ATOM 0 HA ASN A 573 -18.712 9.159 4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -16.290 7.686 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -17.031 9.111 2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -14.570 9.410 5.956 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -15.144 7.847 5.366 1.00 0.00 H new ATOM 1023 N VAL A 574 -19.255 7.819 2.138 1.00 0.00 N ATOM 1024 CA VAL A 574 -19.996 7.010 1.187 1.00 0.00 C ATOM 1025 C VAL A 574 -19.048 6.413 0.158 1.00 0.00 C ATOM 1026 O VAL A 574 -18.425 7.133 -0.624 1.00 0.00 O ATOM 1027 CB VAL A 574 -21.086 7.827 0.460 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -21.938 6.921 -0.417 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -21.954 8.581 1.457 1.00 0.00 C ATOM 0 H VAL A 574 -18.970 8.736 1.794 1.00 0.00 H new ATOM 0 HA VAL A 574 -20.486 6.216 1.751 1.00 0.00 H new ATOM 0 HB VAL A 574 -20.592 8.559 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -22.700 7.515 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -21.306 6.435 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -22.419 6.163 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -22.714 9.149 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -22.437 7.871 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -21.333 9.264 2.037 1.00 0.00 H new ATOM 1039 N VAL A 575 -18.957 5.092 0.163 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.124 4.355 -0.776 1.00 0.00 C ATOM 1041 C VAL A 575 -18.804 3.032 -1.101 1.00 0.00 C ATOM 1042 O VAL A 575 -19.117 2.257 -0.199 1.00 0.00 O ATOM 1043 CB VAL A 575 -16.710 4.062 -0.210 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -15.853 3.363 -1.250 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.013 5.329 0.260 1.00 0.00 C ATOM 0 H VAL A 575 -19.461 4.498 0.821 1.00 0.00 H new ATOM 0 HA VAL A 575 -18.004 4.972 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 575 -16.839 3.408 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -14.865 3.166 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -16.322 2.421 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -15.756 4.000 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.026 5.078 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -15.909 6.019 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -16.604 5.799 1.046 1.00 0.00 H new ATOM 1055 N HIS A 576 -19.050 2.783 -2.375 1.00 0.00 N ATOM 1056 CA HIS A 576 -19.743 1.570 -2.788 1.00 0.00 C ATOM 1057 C HIS A 576 -18.905 0.778 -3.789 1.00 0.00 C ATOM 1058 O HIS A 576 -19.010 -0.448 -3.872 1.00 0.00 O ATOM 1059 CB HIS A 576 -21.106 1.930 -3.391 1.00 0.00 C ATOM 1060 CG HIS A 576 -21.942 0.745 -3.766 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -22.763 0.128 -2.855 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -22.050 0.112 -4.958 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -23.348 -0.860 -3.510 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -22.947 -0.908 -4.787 1.00 0.00 N ATOM 0 H HIS A 576 -18.782 3.401 -3.141 1.00 0.00 H new ATOM 0 HA HIS A 576 -19.898 0.941 -1.911 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -21.658 2.539 -2.675 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -20.948 2.545 -4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -21.528 0.364 -5.870 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -24.060 -1.543 -3.071 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -23.251 -1.576 -5.495 1.00 0.00 H new ATOM 1072 N SER A 577 -18.058 1.482 -4.527 1.00 0.00 N ATOM 1073 CA SER A 577 -17.233 0.861 -5.553 1.00 0.00 C ATOM 1074 C SER A 577 -16.170 -0.039 -4.931 1.00 0.00 C ATOM 1075 O SER A 577 -15.937 -1.159 -5.383 1.00 0.00 O ATOM 1076 CB SER A 577 -16.572 1.953 -6.393 1.00 0.00 C ATOM 1077 OG SER A 577 -15.986 2.944 -5.563 1.00 0.00 O ATOM 0 H SER A 577 -17.924 2.489 -4.433 1.00 0.00 H new ATOM 0 HA SER A 577 -17.867 0.240 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 577 -15.809 1.512 -7.035 1.00 0.00 H new ATOM 0 HB3 SER A 577 -17.313 2.412 -7.048 1.00 0.00 H new ATOM 0 HG SER A 577 -15.567 3.632 -6.121 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.542 0.459 -3.883 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.487 -0.285 -3.220 1.00 0.00 C ATOM 1085 C VAL A 578 -14.825 -0.622 -1.773 1.00 0.00 C ATOM 1086 O VAL A 578 -15.396 0.188 -1.041 1.00 0.00 O ATOM 1087 CB VAL A 578 -13.132 0.450 -3.314 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.506 0.201 -4.674 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.300 1.947 -3.092 1.00 0.00 C ATOM 0 H VAL A 578 -15.742 1.371 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.399 -1.232 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.480 0.061 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.550 0.722 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.346 -0.869 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -13.171 0.571 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.329 2.437 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -13.969 2.354 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -13.722 2.123 -2.103 1.00 0.00 H new ATOM 1099 N ARG A 579 -14.509 -1.855 -1.395 1.00 0.00 N ATOM 1100 CA ARG A 579 -14.729 -2.344 -0.040 1.00 0.00 C ATOM 1101 C ARG A 579 -13.370 -2.597 0.598 1.00 0.00 C ATOM 1102 O ARG A 579 -12.356 -2.531 -0.095 1.00 0.00 O ATOM 1103 CB ARG A 579 -15.558 -3.637 -0.049 1.00 0.00 C ATOM 1104 CG ARG A 579 -16.618 -3.694 -1.145 1.00 0.00 C ATOM 1105 CD ARG A 579 -17.583 -2.523 -1.064 1.00 0.00 C ATOM 1106 NE ARG A 579 -18.330 -2.503 0.190 1.00 0.00 N ATOM 1107 CZ ARG A 579 -18.604 -1.396 0.876 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -18.100 -0.230 0.491 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -19.354 -1.461 1.968 1.00 0.00 N ATOM 0 H ARG A 579 -14.092 -2.545 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.286 -1.601 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -14.885 -4.486 -0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.046 -3.749 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.131 -3.696 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -17.174 -4.628 -1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -17.028 -1.591 -1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -18.282 -2.573 -1.899 1.00 0.00 H new ATOM 0 HE ARG A 579 -18.662 -3.392 0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -17.501 -0.181 -0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -18.312 0.617 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -19.721 -2.359 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -19.564 -0.613 2.494 1.00 0.00 H new ATOM 1123 N ARG A 580 -13.331 -2.885 1.898 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.066 -3.075 2.607 1.00 0.00 C ATOM 1125 C ARG A 580 -11.183 -4.138 1.947 1.00 0.00 C ATOM 1126 O ARG A 580 -9.959 -4.047 2.010 1.00 0.00 O ATOM 1127 CB ARG A 580 -12.285 -3.420 4.084 1.00 0.00 C ATOM 1128 CG ARG A 580 -13.017 -4.723 4.330 1.00 0.00 C ATOM 1129 CD ARG A 580 -14.509 -4.509 4.489 1.00 0.00 C ATOM 1130 NE ARG A 580 -15.212 -5.763 4.742 1.00 0.00 N ATOM 1131 CZ ARG A 580 -16.469 -5.848 5.169 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -17.168 -4.748 5.429 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -17.028 -7.040 5.332 1.00 0.00 N ATOM 0 H ARG A 580 -14.161 -2.992 2.482 1.00 0.00 H new ATOM 0 HA ARG A 580 -11.544 -2.120 2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -11.315 -3.465 4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -12.845 -2.611 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -12.834 -5.405 3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -12.620 -5.199 5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -14.691 -3.818 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -14.908 -4.044 3.587 1.00 0.00 H new ATOM 0 HE ARG A 580 -14.705 -6.633 4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -16.741 -3.830 5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -18.131 -4.821 5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -16.494 -7.885 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -17.991 -7.111 5.659 1.00 0.00 H new ATOM 1147 N GLU A 581 -11.794 -5.150 1.327 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.059 -6.192 0.607 1.00 0.00 C ATOM 1149 C GLU A 581 -10.164 -5.632 -0.498 1.00 0.00 C ATOM 1150 O GLU A 581 -9.120 -6.203 -0.803 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.044 -7.197 0.008 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.011 -6.580 -0.992 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.159 -7.501 -1.335 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -15.028 -7.719 -0.467 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -14.197 -8.020 -2.466 1.00 0.00 O ATOM 0 H GLU A 581 -12.807 -5.270 1.310 1.00 0.00 H new ATOM 0 HA GLU A 581 -10.408 -6.681 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -11.484 -7.993 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -12.614 -7.659 0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -13.406 -5.650 -0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -12.471 -6.324 -1.903 1.00 0.00 H new ATOM 1162 N HIS A 582 -10.576 -4.518 -1.087 1.00 0.00 N ATOM 1163 CA HIS A 582 -9.840 -3.909 -2.190 1.00 0.00 C ATOM 1164 C HIS A 582 -8.576 -3.222 -1.689 1.00 0.00 C ATOM 1165 O HIS A 582 -7.704 -2.848 -2.472 1.00 0.00 O ATOM 1166 CB HIS A 582 -10.722 -2.909 -2.938 1.00 0.00 C ATOM 1167 CG HIS A 582 -11.826 -3.543 -3.731 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.144 -3.370 -3.387 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -11.758 -4.316 -4.843 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -13.842 -4.035 -4.289 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.047 -4.626 -5.191 1.00 0.00 N ATOM 0 H HIS A 582 -11.421 -4.014 -0.818 1.00 0.00 H new ATOM 0 HA HIS A 582 -9.549 -4.703 -2.878 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.157 -2.215 -2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.097 -2.321 -3.610 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -10.860 -4.628 -5.356 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -14.920 -4.095 -4.299 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.343 -5.196 -5.983 1.00 0.00 H new ATOM 1179 N PHE A 583 -8.485 -3.059 -0.380 1.00 0.00 N ATOM 1180 CA PHE A 583 -7.358 -2.378 0.228 1.00 0.00 C ATOM 1181 C PHE A 583 -6.503 -3.383 0.981 1.00 0.00 C ATOM 1182 O PHE A 583 -7.004 -4.131 1.822 1.00 0.00 O ATOM 1183 CB PHE A 583 -7.838 -1.274 1.174 1.00 0.00 C ATOM 1184 CG PHE A 583 -8.823 -0.331 0.543 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.424 0.567 -0.428 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.150 -0.349 0.922 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.332 1.428 -1.008 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.066 0.508 0.348 1.00 0.00 C ATOM 1189 CZ PHE A 583 -10.656 1.399 -0.620 1.00 0.00 C ATOM 0 H PHE A 583 -9.184 -3.392 0.284 1.00 0.00 H new ATOM 0 HA PHE A 583 -6.761 -1.914 -0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -8.296 -1.732 2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -6.976 -0.706 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.389 0.595 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -10.477 -1.045 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.007 2.125 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.101 0.481 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.368 2.072 -1.073 1.00 0.00 H new ATOM 1199 N SER A 584 -5.218 -3.413 0.679 1.00 0.00 N ATOM 1200 CA SER A 584 -4.322 -4.375 1.287 1.00 0.00 C ATOM 1201 C SER A 584 -3.045 -3.675 1.724 1.00 0.00 C ATOM 1202 O SER A 584 -2.516 -2.829 1.004 1.00 0.00 O ATOM 1203 CB SER A 584 -4.007 -5.505 0.301 1.00 0.00 C ATOM 1204 OG SER A 584 -3.441 -4.997 -0.894 1.00 0.00 O ATOM 0 H SER A 584 -4.772 -2.780 0.015 1.00 0.00 H new ATOM 0 HA SER A 584 -4.803 -4.812 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 584 -3.317 -6.212 0.762 1.00 0.00 H new ATOM 0 HB3 SER A 584 -4.919 -6.055 0.070 1.00 0.00 H new ATOM 0 HG SER A 584 -2.720 -5.590 -1.192 1.00 0.00 H new ATOM 1210 N PHE A 585 -2.556 -4.011 2.902 1.00 0.00 N ATOM 1211 CA PHE A 585 -1.361 -3.373 3.424 1.00 0.00 C ATOM 1212 C PHE A 585 -0.165 -4.308 3.357 1.00 0.00 C ATOM 1213 O PHE A 585 0.948 -3.942 3.732 1.00 0.00 O ATOM 1214 CB PHE A 585 -1.602 -2.879 4.847 1.00 0.00 C ATOM 1215 CG PHE A 585 -2.482 -1.666 4.890 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -1.986 -0.443 4.488 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -3.799 -1.744 5.312 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -2.774 0.683 4.507 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -4.598 -0.614 5.334 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.080 0.602 4.928 1.00 0.00 C ATOM 0 H PHE A 585 -2.964 -4.718 3.514 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.132 -2.510 2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -2.059 -3.677 5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -0.645 -2.647 5.315 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -0.962 -0.369 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -4.206 -2.694 5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -2.367 1.632 4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -5.623 -0.682 5.667 1.00 0.00 H new ATOM 0 HZ PHE A 585 -4.700 1.486 4.942 1.00 0.00 H new ATOM 1230 N SER A 586 -0.411 -5.522 2.898 1.00 0.00 N ATOM 1231 CA SER A 586 0.654 -6.465 2.609 1.00 0.00 C ATOM 1232 C SER A 586 1.564 -5.939 1.495 1.00 0.00 C ATOM 1233 O SER A 586 1.130 -5.782 0.349 1.00 0.00 O ATOM 1234 CB SER A 586 0.043 -7.808 2.206 1.00 0.00 C ATOM 1235 OG SER A 586 -0.809 -8.301 3.229 1.00 0.00 O ATOM 0 H SER A 586 -1.349 -5.880 2.716 1.00 0.00 H new ATOM 0 HA SER A 586 1.263 -6.595 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 586 -0.521 -7.693 1.281 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.836 -8.529 2.008 1.00 0.00 H new ATOM 0 HG SER A 586 -1.191 -9.160 2.951 1.00 0.00 H new ATOM 1241 N PRO A 587 2.844 -5.664 1.811 1.00 0.00 N ATOM 1242 CA PRO A 587 3.813 -5.156 0.834 1.00 0.00 C ATOM 1243 C PRO A 587 4.316 -6.251 -0.100 1.00 0.00 C ATOM 1244 O PRO A 587 5.293 -6.067 -0.821 1.00 0.00 O ATOM 1245 CB PRO A 587 4.946 -4.632 1.711 1.00 0.00 C ATOM 1246 CG PRO A 587 4.907 -5.504 2.917 1.00 0.00 C ATOM 1247 CD PRO A 587 3.450 -5.811 3.152 1.00 0.00 C ATOM 0 HA PRO A 587 3.382 -4.401 0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.907 -4.699 1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.796 -3.584 1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 587 5.479 -6.418 2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 587 5.345 -5.000 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 587 3.311 -6.817 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 587 3.006 -5.122 3.871 1.00 0.00 H new ATOM 1255 N ARG A 588 3.639 -7.390 -0.082 1.00 0.00 N ATOM 1256 CA ARG A 588 3.944 -8.491 -0.979 1.00 0.00 C ATOM 1257 C ARG A 588 2.974 -8.459 -2.151 1.00 0.00 C ATOM 1258 O ARG A 588 3.007 -9.309 -3.041 1.00 0.00 O ATOM 1259 CB ARG A 588 3.845 -9.820 -0.230 1.00 0.00 C ATOM 1260 CG ARG A 588 4.667 -9.846 1.048 1.00 0.00 C ATOM 1261 CD ARG A 588 4.489 -11.143 1.813 1.00 0.00 C ATOM 1262 NE ARG A 588 5.056 -12.290 1.113 1.00 0.00 N ATOM 1263 CZ ARG A 588 5.317 -13.457 1.697 1.00 0.00 C ATOM 1264 NH1 ARG A 588 4.994 -13.658 2.972 1.00 0.00 N ATOM 1265 NH2 ARG A 588 5.890 -14.429 1.006 1.00 0.00 N ATOM 0 H ARG A 588 2.864 -7.575 0.555 1.00 0.00 H new ATOM 0 HA ARG A 588 4.962 -8.390 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.801 -10.017 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 588 4.177 -10.625 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.721 -9.711 0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.377 -9.008 1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 588 4.960 -11.051 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 588 3.427 -11.316 1.985 1.00 0.00 H new ATOM 0 HE ARG A 588 5.264 -12.192 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 588 4.544 -12.916 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 588 5.197 -14.555 3.414 1.00 0.00 H new ATOM 0 HH21 ARG A 588 6.132 -14.284 0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 588 6.090 -15.323 1.454 1.00 0.00 H new ATOM 1279 N MET A 589 2.102 -7.459 -2.121 1.00 0.00 N ATOM 1280 CA MET A 589 1.157 -7.218 -3.198 1.00 0.00 C ATOM 1281 C MET A 589 1.741 -6.212 -4.180 1.00 0.00 C ATOM 1282 O MET A 589 1.842 -5.025 -3.866 1.00 0.00 O ATOM 1283 CB MET A 589 -0.167 -6.695 -2.632 1.00 0.00 C ATOM 1284 CG MET A 589 -1.219 -6.412 -3.689 1.00 0.00 C ATOM 1285 SD MET A 589 -1.698 -7.886 -4.612 1.00 0.00 S ATOM 1286 CE MET A 589 -2.427 -8.881 -3.313 1.00 0.00 C ATOM 0 H MET A 589 2.032 -6.795 -1.350 1.00 0.00 H new ATOM 0 HA MET A 589 0.967 -8.156 -3.720 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.563 -7.425 -1.926 1.00 0.00 H new ATOM 0 HB3 MET A 589 0.025 -5.781 -2.071 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.101 -5.985 -3.212 1.00 0.00 H new ATOM 0 HG3 MET A 589 -0.838 -5.663 -4.383 1.00 0.00 H new ATOM 0 HE1 MET A 589 -3.031 -9.672 -3.757 1.00 0.00 H new ATOM 0 HE2 MET A 589 -1.637 -9.324 -2.707 1.00 0.00 H new ATOM 0 HE3 MET A 589 -3.057 -8.253 -2.684 1.00 0.00 H new ATOM 1296 N PRO A 590 2.128 -6.675 -5.380 1.00 0.00 N ATOM 1297 CA PRO A 590 2.781 -5.837 -6.395 1.00 0.00 C ATOM 1298 C PRO A 590 1.794 -4.933 -7.128 1.00 0.00 C ATOM 1299 O PRO A 590 1.707 -4.946 -8.359 1.00 0.00 O ATOM 1300 CB PRO A 590 3.378 -6.869 -7.350 1.00 0.00 C ATOM 1301 CG PRO A 590 2.450 -8.030 -7.267 1.00 0.00 C ATOM 1302 CD PRO A 590 1.951 -8.065 -5.849 1.00 0.00 C ATOM 0 HA PRO A 590 3.512 -5.155 -5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.439 -6.481 -8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.389 -7.147 -7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 590 1.623 -7.919 -7.968 1.00 0.00 H new ATOM 0 HG3 PRO A 590 2.962 -8.957 -7.523 1.00 0.00 H new ATOM 0 HD2 PRO A 590 0.907 -8.374 -5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.521 -8.768 -5.241 1.00 0.00 H new ATOM 1310 N VAL A 591 1.068 -4.136 -6.362 1.00 0.00 N ATOM 1311 CA VAL A 591 0.055 -3.247 -6.905 1.00 0.00 C ATOM 1312 C VAL A 591 0.154 -1.895 -6.221 1.00 0.00 C ATOM 1313 O VAL A 591 0.400 -1.829 -5.014 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.363 -3.817 -6.699 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.405 -2.930 -7.355 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -1.454 -5.231 -7.238 1.00 0.00 C ATOM 0 H VAL A 591 1.164 -4.087 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 591 0.231 -3.145 -7.976 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.564 -3.842 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.396 -3.354 -7.195 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.362 -1.933 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -2.206 -2.865 -8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -2.462 -5.615 -7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -1.226 -5.229 -8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -0.739 -5.866 -6.715 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.020 -0.821 -6.971 1.00 0.00 N ATOM 1327 CA GLY A 592 0.123 0.491 -6.403 1.00 0.00 C ATOM 1328 C GLY A 592 1.432 1.104 -6.818 1.00 0.00 C ATOM 1329 O GLY A 592 1.724 1.221 -8.010 1.00 0.00 O ATOM 0 H GLY A 592 -0.258 -0.839 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.702 1.126 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 592 0.071 0.431 -5.316 1.00 0.00 H new ATOM 1333 N ASP A 593 2.229 1.470 -5.842 1.00 0.00 N ATOM 1334 CA ASP A 593 3.544 2.023 -6.087 1.00 0.00 C ATOM 1335 C ASP A 593 4.513 1.465 -5.069 1.00 0.00 C ATOM 1336 O ASP A 593 4.165 1.292 -3.912 1.00 0.00 O ATOM 1337 CB ASP A 593 3.527 3.552 -6.009 1.00 0.00 C ATOM 1338 CG ASP A 593 2.862 4.202 -7.206 1.00 0.00 C ATOM 1339 OD1 ASP A 593 1.620 4.357 -7.196 1.00 0.00 O ATOM 1340 OD2 ASP A 593 3.580 4.587 -8.154 1.00 0.00 O ATOM 0 H ASP A 593 1.986 1.394 -4.854 1.00 0.00 H new ATOM 0 HA ASP A 593 3.858 1.744 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 593 3.006 3.858 -5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.551 3.917 -5.927 1.00 0.00 H new ATOM 1345 N PHE A 594 5.711 1.169 -5.509 1.00 0.00 N ATOM 1346 CA PHE A 594 6.736 0.635 -4.622 1.00 0.00 C ATOM 1347 C PHE A 594 7.944 1.547 -4.577 1.00 0.00 C ATOM 1348 O PHE A 594 8.425 1.999 -5.611 1.00 0.00 O ATOM 1349 CB PHE A 594 7.151 -0.770 -5.058 1.00 0.00 C ATOM 1350 CG PHE A 594 6.286 -1.861 -4.493 1.00 0.00 C ATOM 1351 CD1 PHE A 594 4.986 -2.048 -4.938 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.780 -2.702 -3.511 1.00 0.00 C ATOM 1353 CE1 PHE A 594 4.199 -3.052 -4.412 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.998 -3.708 -2.982 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.706 -3.883 -3.432 1.00 0.00 C ATOM 0 H PHE A 594 6.009 1.286 -6.477 1.00 0.00 H new ATOM 0 HA PHE A 594 6.312 0.577 -3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 594 7.125 -0.825 -6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 594 8.183 -0.944 -4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.585 -1.401 -5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.791 -2.569 -3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 594 3.188 -3.188 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 594 6.397 -4.357 -2.217 1.00 0.00 H new ATOM 0 HZ PHE A 594 4.091 -4.669 -3.019 1.00 0.00 H new ATOM 1365 N PHE A 595 8.411 1.843 -3.374 1.00 0.00 N ATOM 1366 CA PHE A 595 9.588 2.674 -3.197 1.00 0.00 C ATOM 1367 C PHE A 595 10.580 1.996 -2.268 1.00 0.00 C ATOM 1368 O PHE A 595 10.202 1.203 -1.408 1.00 0.00 O ATOM 1369 CB PHE A 595 9.199 4.037 -2.610 1.00 0.00 C ATOM 1370 CG PHE A 595 8.035 4.685 -3.301 1.00 0.00 C ATOM 1371 CD1 PHE A 595 6.741 4.425 -2.882 1.00 0.00 C ATOM 1372 CD2 PHE A 595 8.230 5.544 -4.370 1.00 0.00 C ATOM 1373 CE1 PHE A 595 5.665 5.007 -3.514 1.00 0.00 C ATOM 1374 CE2 PHE A 595 7.153 6.129 -5.007 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.869 5.859 -4.577 1.00 0.00 C ATOM 0 H PHE A 595 7.990 1.518 -2.504 1.00 0.00 H new ATOM 0 HA PHE A 595 10.049 2.820 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.959 3.912 -1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 595 10.059 4.704 -2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 595 6.574 3.758 -2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 595 9.233 5.758 -4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 595 4.661 4.796 -3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 595 7.315 6.797 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 595 5.025 6.315 -5.074 1.00 0.00 H new ATOM 1385 N GLU A 596 11.840 2.331 -2.443 1.00 0.00 N ATOM 1386 CA GLU A 596 12.901 1.828 -1.596 1.00 0.00 C ATOM 1387 C GLU A 596 13.749 2.999 -1.131 1.00 0.00 C ATOM 1388 O GLU A 596 14.248 3.770 -1.956 1.00 0.00 O ATOM 1389 CB GLU A 596 13.761 0.830 -2.373 1.00 0.00 C ATOM 1390 CG GLU A 596 15.008 0.383 -1.626 1.00 0.00 C ATOM 1391 CD GLU A 596 15.876 -0.553 -2.438 1.00 0.00 C ATOM 1392 OE1 GLU A 596 16.629 -0.073 -3.312 1.00 0.00 O ATOM 1393 OE2 GLU A 596 15.812 -1.774 -2.209 1.00 0.00 O ATOM 0 H GLU A 596 12.159 2.962 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 596 12.475 1.317 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 596 13.158 -0.046 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 596 14.058 1.281 -3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 596 15.591 1.260 -1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 596 14.713 -0.113 -0.701 1.00 0.00 H new ATOM 1400 N GLU A 597 13.895 3.163 0.176 1.00 0.00 N ATOM 1401 CA GLU A 597 14.640 4.277 0.732 1.00 0.00 C ATOM 1402 C GLU A 597 16.129 4.034 0.545 1.00 0.00 C ATOM 1403 O GLU A 597 16.678 3.045 1.031 1.00 0.00 O ATOM 1404 CB GLU A 597 14.308 4.436 2.220 1.00 0.00 C ATOM 1405 CG GLU A 597 15.165 5.460 2.945 1.00 0.00 C ATOM 1406 CD GLU A 597 14.750 5.646 4.390 1.00 0.00 C ATOM 1407 OE1 GLU A 597 15.184 4.846 5.249 1.00 0.00 O ATOM 1408 OE2 GLU A 597 13.993 6.597 4.677 1.00 0.00 O ATOM 0 H GLU A 597 13.503 2.531 0.874 1.00 0.00 H new ATOM 0 HA GLU A 597 14.362 5.195 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 597 13.261 4.721 2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 597 14.423 3.470 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 597 16.209 5.147 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 597 15.100 6.416 2.426 1.00 0.00 H new ATOM 1415 N ARG A 598 16.776 4.947 -0.154 1.00 0.00 N ATOM 1416 CA ARG A 598 18.166 4.793 -0.533 1.00 0.00 C ATOM 1417 C ARG A 598 18.933 6.066 -0.212 1.00 0.00 C ATOM 1418 O ARG A 598 18.339 7.142 -0.096 1.00 0.00 O ATOM 1419 CB ARG A 598 18.252 4.473 -2.037 1.00 0.00 C ATOM 1420 CG ARG A 598 19.668 4.390 -2.586 1.00 0.00 C ATOM 1421 CD ARG A 598 19.683 4.129 -4.083 1.00 0.00 C ATOM 1422 NE ARG A 598 21.047 4.021 -4.601 1.00 0.00 N ATOM 1423 CZ ARG A 598 21.352 3.806 -5.882 1.00 0.00 C ATOM 1424 NH1 ARG A 598 20.390 3.697 -6.792 1.00 0.00 N ATOM 1425 NH2 ARG A 598 22.623 3.712 -6.250 1.00 0.00 N ATOM 0 H ARG A 598 16.351 5.817 -0.475 1.00 0.00 H new ATOM 0 HA ARG A 598 18.611 3.972 0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 598 17.748 3.525 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 598 17.706 5.238 -2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 598 20.194 5.321 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 598 20.210 3.595 -2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 598 19.139 3.209 -4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 598 19.161 4.936 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 598 21.816 4.116 -3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 598 19.412 3.778 -6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 598 20.629 3.533 -7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 598 23.363 3.804 -5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 598 22.860 3.548 -7.228 1.00 0.00 H new ATOM 1439 N ASP A 599 20.244 5.950 -0.076 1.00 0.00 N ATOM 1440 CA ASP A 599 21.089 7.109 0.128 1.00 0.00 C ATOM 1441 C ASP A 599 21.747 7.528 -1.164 1.00 0.00 C ATOM 1442 O ASP A 599 22.107 6.704 -2.007 1.00 0.00 O ATOM 1443 CB ASP A 599 22.163 6.825 1.168 1.00 0.00 C ATOM 1444 CG ASP A 599 22.977 8.053 1.523 1.00 0.00 C ATOM 1445 OD1 ASP A 599 22.540 8.834 2.394 1.00 0.00 O ATOM 1446 OD2 ASP A 599 24.070 8.232 0.943 1.00 0.00 O ATOM 0 H ASP A 599 20.744 5.062 -0.104 1.00 0.00 H new ATOM 0 HA ASP A 599 20.452 7.918 0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 599 21.694 6.433 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 599 22.830 6.049 0.792 1.00 0.00 H new ATOM 1451 N THR A 600 21.875 8.820 -1.302 1.00 0.00 N ATOM 1452 CA THR A 600 22.482 9.437 -2.465 1.00 0.00 C ATOM 1453 C THR A 600 23.433 10.532 -2.010 1.00 0.00 C ATOM 1454 O THR A 600 23.381 10.956 -0.854 1.00 0.00 O ATOM 1455 CB THR A 600 21.402 10.042 -3.382 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.878 11.227 -2.787 1.00 0.00 O ATOM 1457 CG2 THR A 600 20.268 9.062 -3.591 1.00 0.00 C ATOM 0 H THR A 600 21.557 9.490 -0.602 1.00 0.00 H new ATOM 0 HA THR A 600 23.028 8.677 -3.024 1.00 0.00 H new ATOM 0 HB THR A 600 21.860 10.272 -4.344 1.00 0.00 H new ATOM 0 HG1 THR A 600 20.266 10.985 -2.061 1.00 0.00 H new ATOM 0 HG21 THR A 600 19.516 9.509 -4.241 1.00 0.00 H new ATOM 0 HG22 THR A 600 20.653 8.153 -4.053 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.817 8.817 -2.629 1.00 0.00 H new ATOM 1465 N PRO A 601 24.316 11.002 -2.897 1.00 0.00 N ATOM 1466 CA PRO A 601 25.240 12.099 -2.587 1.00 0.00 C ATOM 1467 C PRO A 601 24.514 13.407 -2.250 1.00 0.00 C ATOM 1468 O PRO A 601 25.122 14.358 -1.754 1.00 0.00 O ATOM 1469 CB PRO A 601 26.073 12.241 -3.865 1.00 0.00 C ATOM 1470 CG PRO A 601 25.258 11.602 -4.933 1.00 0.00 C ATOM 1471 CD PRO A 601 24.511 10.492 -4.263 1.00 0.00 C ATOM 0 HA PRO A 601 25.840 11.887 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 601 26.269 13.289 -4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 601 27.041 11.750 -3.761 1.00 0.00 H new ATOM 0 HG2 PRO A 601 24.572 12.319 -5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 601 25.892 11.220 -5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 601 23.561 10.289 -4.757 1.00 0.00 H new ATOM 0 HD3 PRO A 601 25.079 9.562 -4.269 1.00 0.00 H new ATOM 1479 N GLU A 602 23.210 13.442 -2.504 1.00 0.00 N ATOM 1480 CA GLU A 602 22.404 14.607 -2.170 1.00 0.00 C ATOM 1481 C GLU A 602 21.592 14.352 -0.899 1.00 0.00 C ATOM 1482 O GLU A 602 21.065 15.279 -0.289 1.00 0.00 O ATOM 1483 CB GLU A 602 21.485 14.969 -3.339 1.00 0.00 C ATOM 1484 CG GLU A 602 20.293 14.048 -3.506 1.00 0.00 C ATOM 1485 CD GLU A 602 19.487 14.368 -4.746 1.00 0.00 C ATOM 1486 OE1 GLU A 602 19.035 15.522 -4.889 1.00 0.00 O ATOM 1487 OE2 GLU A 602 19.323 13.467 -5.599 1.00 0.00 O ATOM 0 H GLU A 602 22.692 12.679 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 602 23.070 15.449 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 602 21.125 15.988 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 602 22.068 14.960 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 602 20.639 13.016 -3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.651 14.126 -2.628 1.00 0.00 H new ATOM 1494 N GLY A 603 21.495 13.086 -0.512 1.00 0.00 N ATOM 1495 CA GLY A 603 20.767 12.751 0.688 1.00 0.00 C ATOM 1496 C GLY A 603 19.923 11.511 0.557 1.00 0.00 C ATOM 1497 O GLY A 603 20.006 10.783 -0.430 1.00 0.00 O ATOM 0 H GLY A 603 21.905 12.294 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 603 21.475 12.613 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 603 20.126 13.589 0.959 1.00 0.00 H new ATOM 1501 N LEU A 604 19.116 11.269 1.568 1.00 0.00 N ATOM 1502 CA LEU A 604 18.198 10.149 1.558 1.00 0.00 C ATOM 1503 C LEU A 604 16.946 10.508 0.786 1.00 0.00 C ATOM 1504 O LEU A 604 16.265 11.487 1.091 1.00 0.00 O ATOM 1505 CB LEU A 604 17.834 9.723 2.980 1.00 0.00 C ATOM 1506 CG LEU A 604 18.957 9.040 3.757 1.00 0.00 C ATOM 1507 CD1 LEU A 604 18.623 8.983 5.238 1.00 0.00 C ATOM 1508 CD2 LEU A 604 19.203 7.636 3.222 1.00 0.00 C ATOM 0 H LEU A 604 19.077 11.838 2.414 1.00 0.00 H new ATOM 0 HA LEU A 604 18.692 9.310 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 604 17.512 10.604 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.981 9.046 2.933 1.00 0.00 H new ATOM 0 HG LEU A 604 19.866 9.627 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 604 19.435 8.493 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 604 18.493 9.995 5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 604 17.701 8.420 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 604 20.007 7.166 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 604 18.294 7.044 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 604 19.485 7.692 2.171 1.00 0.00 H new ATOM 1520 N GLN A 605 16.654 9.707 -0.212 1.00 0.00 N ATOM 1521 CA GLN A 605 15.468 9.915 -1.031 1.00 0.00 C ATOM 1522 C GLN A 605 14.782 8.584 -1.270 1.00 0.00 C ATOM 1523 O GLN A 605 15.435 7.536 -1.271 1.00 0.00 O ATOM 1524 CB GLN A 605 15.816 10.580 -2.352 1.00 0.00 C ATOM 1525 CG GLN A 605 16.792 9.790 -3.187 1.00 0.00 C ATOM 1526 CD GLN A 605 17.296 10.600 -4.346 1.00 0.00 C ATOM 1527 OE1 GLN A 605 16.765 10.535 -5.456 1.00 0.00 O ATOM 1528 NE2 GLN A 605 18.303 11.401 -4.076 1.00 0.00 N ATOM 0 H GLN A 605 17.219 8.902 -0.482 1.00 0.00 H new ATOM 0 HA GLN A 605 14.791 10.583 -0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.901 10.732 -2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 605 16.236 11.566 -2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 605 17.632 9.475 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 605 16.310 8.885 -3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 605 18.706 11.416 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 605 18.681 12.008 -4.803 1.00 0.00 H new ATOM 1537 N TRP A 606 13.472 8.606 -1.445 1.00 0.00 N ATOM 1538 CA TRP A 606 12.723 7.386 -1.655 1.00 0.00 C ATOM 1539 C TRP A 606 12.726 7.065 -3.137 1.00 0.00 C ATOM 1540 O TRP A 606 12.094 7.766 -3.929 1.00 0.00 O ATOM 1541 CB TRP A 606 11.284 7.538 -1.156 1.00 0.00 C ATOM 1542 CG TRP A 606 11.131 7.309 0.314 1.00 0.00 C ATOM 1543 CD1 TRP A 606 11.084 8.249 1.301 1.00 0.00 C ATOM 1544 CD2 TRP A 606 11.002 6.043 0.957 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.934 7.637 2.525 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.881 6.280 2.338 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.977 4.729 0.494 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.738 5.244 3.260 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.837 3.707 1.404 1.00 0.00 C ATOM 1550 CH2 TRP A 606 10.717 3.965 2.772 1.00 0.00 C ATOM 0 H TRP A 606 12.908 9.456 -1.445 1.00 0.00 H new ATOM 0 HA TRP A 606 13.189 6.576 -1.094 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.929 8.540 -1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.646 6.835 -1.693 1.00 0.00 H new ATOM 0 HD1 TRP A 606 11.154 9.315 1.145 1.00 0.00 H new ATOM 0 HE1 TRP A 606 10.872 8.115 3.424 1.00 0.00 H new ATOM 0 HE3 TRP A 606 11.066 4.517 -0.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 10.647 5.443 4.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 10.819 2.685 1.054 1.00 0.00 H new ATOM 0 HH2 TRP A 606 10.605 3.139 3.458 1.00 0.00 H new ATOM 1561 N VAL A 607 13.434 6.014 -3.515 1.00 0.00 N ATOM 1562 CA VAL A 607 13.556 5.658 -4.916 1.00 0.00 C ATOM 1563 C VAL A 607 12.483 4.658 -5.307 1.00 0.00 C ATOM 1564 O VAL A 607 12.351 3.599 -4.703 1.00 0.00 O ATOM 1565 CB VAL A 607 14.947 5.052 -5.215 1.00 0.00 C ATOM 1566 CG1 VAL A 607 15.114 4.791 -6.705 1.00 0.00 C ATOM 1567 CG2 VAL A 607 16.057 5.959 -4.698 1.00 0.00 C ATOM 0 H VAL A 607 13.931 5.396 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 607 13.433 6.570 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 607 15.019 4.098 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 607 16.100 4.365 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 607 14.347 4.092 -7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 607 15.015 5.729 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 607 17.026 5.511 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 607 15.987 6.932 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.953 6.083 -3.620 1.00 0.00 H new ATOM 1577 N GLN A 608 11.722 5.017 -6.322 1.00 0.00 N ATOM 1578 CA GLN A 608 10.612 4.207 -6.781 1.00 0.00 C ATOM 1579 C GLN A 608 11.131 2.977 -7.513 1.00 0.00 C ATOM 1580 O GLN A 608 12.066 3.058 -8.308 1.00 0.00 O ATOM 1581 CB GLN A 608 9.692 5.022 -7.696 1.00 0.00 C ATOM 1582 CG GLN A 608 8.511 4.230 -8.235 1.00 0.00 C ATOM 1583 CD GLN A 608 7.581 5.064 -9.079 1.00 0.00 C ATOM 1584 OE1 GLN A 608 7.767 5.193 -10.288 1.00 0.00 O ATOM 1585 NE2 GLN A 608 6.558 5.614 -8.455 1.00 0.00 N ATOM 0 H GLN A 608 11.856 5.878 -6.851 1.00 0.00 H new ATOM 0 HA GLN A 608 10.035 3.885 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.319 5.886 -7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 608 10.274 5.406 -8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 608 8.881 3.394 -8.829 1.00 0.00 H new ATOM 0 HG3 GLN A 608 7.953 3.805 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 608 6.442 5.481 -7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.883 6.172 -8.977 1.00 0.00 H new ATOM 1594 N LEU A 609 10.530 1.841 -7.213 1.00 0.00 N ATOM 1595 CA LEU A 609 10.930 0.574 -7.792 1.00 0.00 C ATOM 1596 C LEU A 609 10.000 0.249 -8.945 1.00 0.00 C ATOM 1597 O LEU A 609 8.812 0.571 -8.889 1.00 0.00 O ATOM 1598 CB LEU A 609 10.822 -0.536 -6.743 1.00 0.00 C ATOM 1599 CG LEU A 609 11.659 -0.337 -5.483 1.00 0.00 C ATOM 1600 CD1 LEU A 609 11.143 -1.231 -4.367 1.00 0.00 C ATOM 1601 CD2 LEU A 609 13.120 -0.639 -5.770 1.00 0.00 C ATOM 0 H LEU A 609 9.750 1.771 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 609 11.960 0.644 -8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.776 -0.635 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 609 11.114 -1.479 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 609 11.576 0.702 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.747 -1.081 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 609 10.105 -0.980 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 609 11.207 -2.274 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.707 -0.493 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 609 13.219 -1.672 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 609 13.484 0.031 -6.549 1.00 0.00 H new ATOM 1613 N SER A 610 10.512 -0.381 -9.985 1.00 0.00 N ATOM 1614 CA SER A 610 9.684 -0.865 -11.066 1.00 0.00 C ATOM 1615 C SER A 610 9.055 -2.179 -10.667 1.00 0.00 C ATOM 1616 O SER A 610 9.460 -2.794 -9.677 1.00 0.00 O ATOM 1617 CB SER A 610 10.515 -1.057 -12.333 1.00 0.00 C ATOM 1618 OG SER A 610 11.691 -1.800 -12.064 1.00 0.00 O ATOM 0 H SER A 610 11.508 -0.569 -10.102 1.00 0.00 H new ATOM 0 HA SER A 610 8.905 -0.130 -11.269 1.00 0.00 H new ATOM 0 HB2 SER A 610 9.920 -1.572 -13.087 1.00 0.00 H new ATOM 0 HB3 SER A 610 10.782 -0.085 -12.747 1.00 0.00 H new ATOM 0 HG SER A 610 12.315 -1.249 -11.548 1.00 0.00 H new ATOM 1624 N ALA A 611 8.078 -2.611 -11.441 1.00 0.00 N ATOM 1625 CA ALA A 611 7.423 -3.885 -11.232 1.00 0.00 C ATOM 1626 C ALA A 611 8.437 -5.021 -11.136 1.00 0.00 C ATOM 1627 O ALA A 611 8.243 -5.974 -10.387 1.00 0.00 O ATOM 1628 CB ALA A 611 6.459 -4.136 -12.373 1.00 0.00 C ATOM 0 H ALA A 611 7.716 -2.084 -12.236 1.00 0.00 H new ATOM 0 HA ALA A 611 6.879 -3.851 -10.288 1.00 0.00 H new ATOM 0 HB1 ALA A 611 5.961 -5.094 -12.224 1.00 0.00 H new ATOM 0 HB2 ALA A 611 5.715 -3.340 -12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 611 7.007 -4.155 -13.315 1.00 0.00 H new ATOM 1634 N GLU A 612 9.514 -4.910 -11.904 1.00 0.00 N ATOM 1635 CA GLU A 612 10.544 -5.943 -11.955 1.00 0.00 C ATOM 1636 C GLU A 612 11.386 -5.944 -10.674 1.00 0.00 C ATOM 1637 O GLU A 612 11.875 -6.986 -10.241 1.00 0.00 O ATOM 1638 CB GLU A 612 11.446 -5.698 -13.161 1.00 0.00 C ATOM 1639 CG GLU A 612 10.684 -5.580 -14.468 1.00 0.00 C ATOM 1640 CD GLU A 612 11.542 -5.045 -15.589 1.00 0.00 C ATOM 1641 OE1 GLU A 612 11.640 -3.808 -15.727 1.00 0.00 O ATOM 1642 OE2 GLU A 612 12.126 -5.851 -16.341 1.00 0.00 O ATOM 0 H GLU A 612 9.699 -4.107 -12.506 1.00 0.00 H new ATOM 0 HA GLU A 612 10.057 -6.914 -12.045 1.00 0.00 H new ATOM 0 HB2 GLU A 612 12.018 -4.784 -12.998 1.00 0.00 H new ATOM 0 HB3 GLU A 612 12.164 -6.514 -13.240 1.00 0.00 H new ATOM 0 HG2 GLU A 612 10.295 -6.559 -14.748 1.00 0.00 H new ATOM 0 HG3 GLU A 612 9.825 -4.924 -14.327 1.00 0.00 H new ATOM 1649 N GLU A 613 11.557 -4.767 -10.075 1.00 0.00 N ATOM 1650 CA GLU A 613 12.357 -4.628 -8.860 1.00 0.00 C ATOM 1651 C GLU A 613 11.547 -5.010 -7.628 1.00 0.00 C ATOM 1652 O GLU A 613 12.100 -5.454 -6.618 1.00 0.00 O ATOM 1653 CB GLU A 613 12.846 -3.189 -8.711 1.00 0.00 C ATOM 1654 CG GLU A 613 13.646 -2.683 -9.902 1.00 0.00 C ATOM 1655 CD GLU A 613 13.995 -1.215 -9.791 1.00 0.00 C ATOM 1656 OE1 GLU A 613 15.053 -0.885 -9.217 1.00 0.00 O ATOM 1657 OE2 GLU A 613 13.212 -0.384 -10.296 1.00 0.00 O ATOM 0 H GLU A 613 11.151 -3.894 -10.412 1.00 0.00 H new ATOM 0 HA GLU A 613 13.212 -5.299 -8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 613 11.986 -2.537 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 613 13.462 -3.116 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 613 14.564 -3.264 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 613 13.074 -2.848 -10.815 1.00 0.00 H new ATOM 1664 N ILE A 614 10.237 -4.816 -7.732 1.00 0.00 N ATOM 1665 CA ILE A 614 9.299 -5.073 -6.639 1.00 0.00 C ATOM 1666 C ILE A 614 9.528 -6.425 -5.936 1.00 0.00 C ATOM 1667 O ILE A 614 9.795 -6.450 -4.733 1.00 0.00 O ATOM 1668 CB ILE A 614 7.841 -5.000 -7.154 1.00 0.00 C ATOM 1669 CG1 ILE A 614 7.451 -3.550 -7.452 1.00 0.00 C ATOM 1670 CG2 ILE A 614 6.882 -5.632 -6.161 1.00 0.00 C ATOM 1671 CD1 ILE A 614 6.023 -3.385 -7.926 1.00 0.00 C ATOM 0 H ILE A 614 9.790 -4.473 -8.583 1.00 0.00 H new ATOM 0 HA ILE A 614 9.480 -4.295 -5.898 1.00 0.00 H new ATOM 0 HB ILE A 614 7.776 -5.567 -8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.596 -2.953 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 614 8.124 -3.152 -8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 614 5.864 -5.568 -6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 614 7.149 -6.679 -6.013 1.00 0.00 H new ATOM 0 HG23 ILE A 614 6.943 -5.104 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 614 5.822 -2.331 -8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 614 5.876 -3.954 -8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 614 5.340 -3.752 -7.159 1.00 0.00 H new ATOM 1683 N PRO A 615 9.464 -7.560 -6.663 1.00 0.00 N ATOM 1684 CA PRO A 615 9.553 -8.895 -6.054 1.00 0.00 C ATOM 1685 C PRO A 615 10.870 -9.127 -5.325 1.00 0.00 C ATOM 1686 O PRO A 615 10.906 -9.804 -4.299 1.00 0.00 O ATOM 1687 CB PRO A 615 9.421 -9.853 -7.242 1.00 0.00 C ATOM 1688 CG PRO A 615 9.743 -9.029 -8.437 1.00 0.00 C ATOM 1689 CD PRO A 615 9.283 -7.646 -8.118 1.00 0.00 C ATOM 0 HA PRO A 615 8.785 -9.035 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 615 10.106 -10.696 -7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 615 8.414 -10.266 -7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 615 10.813 -9.046 -8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 615 9.239 -9.413 -9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 615 9.873 -6.894 -8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 615 8.243 -7.491 -8.404 1.00 0.00 H new ATOM 1697 N SER A 616 11.944 -8.537 -5.833 1.00 0.00 N ATOM 1698 CA SER A 616 13.259 -8.717 -5.236 1.00 0.00 C ATOM 1699 C SER A 616 13.320 -8.044 -3.867 1.00 0.00 C ATOM 1700 O SER A 616 13.958 -8.549 -2.941 1.00 0.00 O ATOM 1701 CB SER A 616 14.332 -8.153 -6.164 1.00 0.00 C ATOM 1702 OG SER A 616 14.214 -8.714 -7.463 1.00 0.00 O ATOM 0 H SER A 616 11.930 -7.932 -6.654 1.00 0.00 H new ATOM 0 HA SER A 616 13.442 -9.782 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 616 14.238 -7.069 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 616 15.321 -8.367 -5.758 1.00 0.00 H new ATOM 0 HG SER A 616 14.908 -8.340 -8.045 1.00 0.00 H new ATOM 1708 N ARG A 617 12.632 -6.911 -3.737 1.00 0.00 N ATOM 1709 CA ARG A 617 12.502 -6.235 -2.453 1.00 0.00 C ATOM 1710 C ARG A 617 11.559 -6.998 -1.532 1.00 0.00 C ATOM 1711 O ARG A 617 11.821 -7.132 -0.334 1.00 0.00 O ATOM 1712 CB ARG A 617 12.015 -4.796 -2.637 1.00 0.00 C ATOM 1713 CG ARG A 617 13.136 -3.790 -2.851 1.00 0.00 C ATOM 1714 CD ARG A 617 13.915 -4.059 -4.128 1.00 0.00 C ATOM 1715 NE ARG A 617 15.012 -3.110 -4.291 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.692 -2.923 -5.419 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.430 -3.659 -6.492 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.640 -1.994 -5.468 1.00 0.00 N ATOM 0 H ARG A 617 12.156 -6.443 -4.508 1.00 0.00 H new ATOM 0 HA ARG A 617 13.489 -6.206 -1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 617 11.338 -4.758 -3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 617 11.439 -4.502 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.717 -2.785 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.816 -3.820 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 617 14.310 -5.075 -4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 617 13.245 -3.994 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 617 15.276 -2.549 -3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.703 -4.374 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 617 15.955 -3.510 -7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.843 -1.429 -4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 617 17.165 -1.846 -6.330 1.00 0.00 H new ATOM 1732 N ILE A 618 10.468 -7.506 -2.102 1.00 0.00 N ATOM 1733 CA ILE A 618 9.493 -8.279 -1.342 1.00 0.00 C ATOM 1734 C ILE A 618 10.154 -9.473 -0.671 1.00 0.00 C ATOM 1735 O ILE A 618 9.912 -9.738 0.496 1.00 0.00 O ATOM 1736 CB ILE A 618 8.342 -8.791 -2.233 1.00 0.00 C ATOM 1737 CG1 ILE A 618 7.551 -7.623 -2.822 1.00 0.00 C ATOM 1738 CG2 ILE A 618 7.426 -9.719 -1.444 1.00 0.00 C ATOM 1739 CD1 ILE A 618 6.410 -8.054 -3.720 1.00 0.00 C ATOM 0 H ILE A 618 10.238 -7.395 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 618 9.083 -7.606 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 618 8.775 -9.357 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.153 -7.018 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 618 8.229 -6.986 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 618 6.620 -10.070 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.998 -10.573 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 618 7.003 -9.179 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.894 -7.173 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.803 -8.634 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.710 -8.666 -3.151 1.00 0.00 H new ATOM 1751 N GLN A 619 11.003 -10.169 -1.413 1.00 0.00 N ATOM 1752 CA GLN A 619 11.683 -11.363 -0.913 1.00 0.00 C ATOM 1753 C GLN A 619 12.447 -11.094 0.381 1.00 0.00 C ATOM 1754 O GLN A 619 12.524 -11.957 1.253 1.00 0.00 O ATOM 1755 CB GLN A 619 12.625 -11.917 -1.975 1.00 0.00 C ATOM 1756 CG GLN A 619 11.897 -12.471 -3.185 1.00 0.00 C ATOM 1757 CD GLN A 619 10.975 -13.625 -2.836 1.00 0.00 C ATOM 1758 OE1 GLN A 619 11.395 -14.782 -2.791 1.00 0.00 O ATOM 1759 NE2 GLN A 619 9.706 -13.323 -2.609 1.00 0.00 N ATOM 0 H GLN A 619 11.242 -9.927 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 619 10.915 -12.103 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 619 13.304 -11.128 -2.297 1.00 0.00 H new ATOM 0 HB3 GLN A 619 13.237 -12.704 -1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 619 11.316 -11.675 -3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 619 12.627 -12.805 -3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 619 9.397 -12.352 -2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 619 9.038 -14.061 -2.387 1.00 0.00 H new ATOM 1768 N ALA A 620 12.992 -9.894 0.510 1.00 0.00 N ATOM 1769 CA ALA A 620 13.798 -9.539 1.673 1.00 0.00 C ATOM 1770 C ALA A 620 12.919 -9.208 2.872 1.00 0.00 C ATOM 1771 O ALA A 620 13.202 -9.624 3.995 1.00 0.00 O ATOM 1772 CB ALA A 620 14.703 -8.362 1.343 1.00 0.00 C ATOM 0 H ALA A 620 12.892 -9.147 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 620 14.413 -10.400 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 620 15.300 -8.106 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 620 15.364 -8.631 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 620 14.095 -7.505 1.055 1.00 0.00 H new ATOM 1778 N ILE A 621 11.856 -8.450 2.628 1.00 0.00 N ATOM 1779 CA ILE A 621 10.918 -8.100 3.688 1.00 0.00 C ATOM 1780 C ILE A 621 10.029 -9.292 4.010 1.00 0.00 C ATOM 1781 O ILE A 621 9.311 -9.307 5.012 1.00 0.00 O ATOM 1782 CB ILE A 621 10.038 -6.885 3.313 1.00 0.00 C ATOM 1783 CG1 ILE A 621 9.294 -7.120 1.997 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.887 -5.630 3.213 1.00 0.00 C ATOM 1785 CD1 ILE A 621 8.345 -5.998 1.637 1.00 0.00 C ATOM 0 H ILE A 621 11.623 -8.068 1.711 1.00 0.00 H new ATOM 0 HA ILE A 621 11.507 -7.825 4.563 1.00 0.00 H new ATOM 0 HB ILE A 621 9.297 -6.755 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 621 10.021 -7.244 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 621 8.734 -8.052 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 621 10.254 -4.783 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 621 11.367 -5.438 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 621 11.650 -5.767 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.850 -6.228 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 621 7.596 -5.889 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.903 -5.067 1.536 1.00 0.00 H new ATOM 1797 N THR A 622 10.101 -10.289 3.148 1.00 0.00 N ATOM 1798 CA THR A 622 9.335 -11.495 3.278 1.00 0.00 C ATOM 1799 C THR A 622 10.026 -12.485 4.212 1.00 0.00 C ATOM 1800 O THR A 622 11.193 -12.830 4.016 1.00 0.00 O ATOM 1801 CB THR A 622 9.138 -12.117 1.882 1.00 0.00 C ATOM 1802 OG1 THR A 622 8.013 -11.520 1.235 1.00 0.00 O ATOM 1803 CG2 THR A 622 8.981 -13.618 1.937 1.00 0.00 C ATOM 0 H THR A 622 10.706 -10.274 2.327 1.00 0.00 H new ATOM 0 HA THR A 622 8.364 -11.256 3.713 1.00 0.00 H new ATOM 0 HB THR A 622 10.040 -11.914 1.304 1.00 0.00 H new ATOM 0 HG1 THR A 622 8.264 -10.637 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 622 8.845 -14.007 0.928 1.00 0.00 H new ATOM 0 HG22 THR A 622 9.873 -14.061 2.380 1.00 0.00 H new ATOM 0 HG23 THR A 622 8.111 -13.871 2.543 1.00 0.00 H new ATOM 1811 N GLY A 623 9.310 -12.910 5.242 1.00 0.00 N ATOM 1812 CA GLY A 623 9.808 -13.960 6.101 1.00 0.00 C ATOM 1813 C GLY A 623 9.470 -15.322 5.535 1.00 0.00 C ATOM 1814 O GLY A 623 10.339 -16.184 5.394 1.00 0.00 O ATOM 0 H GLY A 623 8.392 -12.545 5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 623 10.888 -13.865 6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 623 9.376 -13.857 7.096 1.00 0.00 H new ATOM 1818 N SER A 624 8.203 -15.501 5.185 1.00 0.00 N ATOM 1819 CA SER A 624 7.734 -16.741 4.585 1.00 0.00 C ATOM 1820 C SER A 624 6.691 -16.442 3.508 1.00 0.00 C ATOM 1821 O SER A 624 5.533 -16.134 3.866 1.00 0.00 O ATOM 1822 CB SER A 624 7.135 -17.656 5.654 1.00 0.00 C ATOM 1823 OG SER A 624 8.063 -17.912 6.698 1.00 0.00 O ATOM 1824 OXT SER A 624 7.030 -16.501 2.307 1.00 0.00 O ATOM 0 H SER A 624 7.477 -14.796 5.308 1.00 0.00 H new ATOM 0 HA SER A 624 8.582 -17.248 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 624 6.238 -17.195 6.068 1.00 0.00 H new ATOM 0 HB3 SER A 624 6.829 -18.598 5.199 1.00 0.00 H new ATOM 0 HG SER A 624 7.650 -18.498 7.366 1.00 0.00 H new TER 1830 SER A 624