USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 637 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 614 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 615 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 547 CYS SG : rot -170:sc= 0 USER MOD Set 2.2: A 574 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 604 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.086) USER MOD Set 3.1: A 581 MET CE :methyl -159:sc= -5.3! (180deg=-5.59!) USER MOD Set 3.2: A 595 HIS :FLIP no HD1:sc= -0.0305 F(o=-6.6,f=-5.3) USER MOD Set 4.1: A 567 THR OG1 : rot -3:sc= -0.0484 USER MOD Set 4.2: A 568 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.5) USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 SER OG : rot 180:sc= 0.301 USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 558 CYS SG : rot 180:sc= -1.7 USER MOD Single : A 559 SER OG : rot 180:sc= 0 USER MOD Single : A 560 SER OG : rot 180:sc= 0 USER MOD Single : A 561 CYS SG : rot 131:sc= -0.644 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 14:sc= -0.0706 USER MOD Single : A 571 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0.243 USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 578 HIS :FLIP no HD1:sc= -0.172 F(o=-0.93,f=-0.17) USER MOD Single : A 579 TYR OH : rot 0:sc= -5.17! USER MOD Single : A 580 SER OG : rot -82:sc= 1.4 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 599 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 GLN : amide:sc= -0.0382 X(o=-0.038,f=0) USER MOD Single : A 608 HIS : no HD1:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot -79:sc= 0.0625 USER MOD Single : A 619 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 137:sc= 0.44 USER MOD Single : A 622 SER OG : rot -40:sc= 0.494 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 541 21.347 11.089 -0.769 1.00 0.00 N ATOM 2 CA GLY A 541 21.190 10.091 0.326 1.00 0.00 C ATOM 3 C GLY A 541 20.364 10.624 1.480 1.00 0.00 C ATOM 4 O GLY A 541 20.556 10.221 2.628 1.00 0.00 O ATOM 0 HA2 GLY A 541 20.718 9.192 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 541 22.174 9.799 0.692 1.00 0.00 H new ATOM 9 N SER A 542 19.441 11.531 1.177 1.00 0.00 N ATOM 10 CA SER A 542 18.583 12.119 2.198 1.00 0.00 C ATOM 11 C SER A 542 17.406 12.853 1.562 1.00 0.00 C ATOM 12 O SER A 542 17.418 14.077 1.439 1.00 0.00 O ATOM 13 CB SER A 542 19.384 13.083 3.075 1.00 0.00 C ATOM 14 OG SER A 542 18.721 13.326 4.303 1.00 0.00 O ATOM 0 H SER A 542 19.268 11.875 0.232 1.00 0.00 H new ATOM 0 HA SER A 542 18.194 11.312 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 542 20.373 12.667 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 542 19.532 14.024 2.545 1.00 0.00 H new ATOM 0 HG SER A 542 19.254 13.944 4.846 1.00 0.00 H new ATOM 20 N TYR A 543 16.391 12.095 1.161 1.00 0.00 N ATOM 21 CA TYR A 543 15.205 12.672 0.538 1.00 0.00 C ATOM 22 C TYR A 543 14.265 13.253 1.592 1.00 0.00 C ATOM 23 O TYR A 543 14.304 12.857 2.756 1.00 0.00 O ATOM 24 CB TYR A 543 14.471 11.614 -0.289 1.00 0.00 C ATOM 25 CG TYR A 543 15.135 11.314 -1.615 1.00 0.00 C ATOM 26 CD1 TYR A 543 15.304 12.308 -2.569 1.00 0.00 C ATOM 27 CD2 TYR A 543 15.590 10.036 -1.910 1.00 0.00 C ATOM 28 CE1 TYR A 543 15.909 12.038 -3.782 1.00 0.00 C ATOM 29 CE2 TYR A 543 16.197 9.757 -3.121 1.00 0.00 C ATOM 30 CZ TYR A 543 16.354 10.762 -4.052 1.00 0.00 C ATOM 31 OH TYR A 543 16.957 10.487 -5.258 1.00 0.00 O ATOM 0 H TYR A 543 16.366 11.080 1.256 1.00 0.00 H new ATOM 0 HA TYR A 543 15.527 13.479 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 543 14.404 10.693 0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 543 13.450 11.951 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 543 14.957 13.309 -2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 543 15.468 9.247 -1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 543 16.032 12.822 -4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 543 16.546 8.758 -3.336 1.00 0.00 H new ATOM 0 HH TYR A 543 17.213 9.541 -5.288 1.00 0.00 H new ATOM 41 N PRO A 544 13.402 14.204 1.193 1.00 0.00 N ATOM 42 CA PRO A 544 12.449 14.838 2.109 1.00 0.00 C ATOM 43 C PRO A 544 11.347 13.881 2.550 1.00 0.00 C ATOM 44 O PRO A 544 10.756 13.179 1.731 1.00 0.00 O ATOM 45 CB PRO A 544 11.863 15.982 1.278 1.00 0.00 C ATOM 46 CG PRO A 544 12.022 15.543 -0.136 1.00 0.00 C ATOM 47 CD PRO A 544 13.288 14.734 -0.179 1.00 0.00 C ATOM 0 HA PRO A 544 12.927 15.166 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 544 10.815 16.153 1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 544 12.391 16.917 1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 544 11.168 14.948 -0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 544 12.084 16.400 -0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 544 13.228 13.933 -0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 544 14.148 15.348 -0.445 1.00 0.00 H new ATOM 55 N THR A 545 11.075 13.859 3.852 1.00 0.00 N ATOM 56 CA THR A 545 10.043 12.987 4.402 1.00 0.00 C ATOM 57 C THR A 545 10.362 11.522 4.122 1.00 0.00 C ATOM 58 O THR A 545 11.201 11.210 3.276 1.00 0.00 O ATOM 59 CB THR A 545 8.678 13.345 3.814 1.00 0.00 C ATOM 60 OG1 THR A 545 8.528 14.749 3.712 1.00 0.00 O ATOM 61 CG2 THR A 545 7.517 12.817 4.630 1.00 0.00 C ATOM 0 H THR A 545 11.554 14.434 4.544 1.00 0.00 H new ATOM 0 HA THR A 545 10.016 13.134 5.482 1.00 0.00 H new ATOM 0 HB THR A 545 8.655 12.873 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 545 7.649 14.957 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 545 6.579 13.107 4.157 1.00 0.00 H new ATOM 0 HG22 THR A 545 7.575 11.730 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 545 7.560 13.234 5.636 1.00 0.00 H new ATOM 69 N ASP A 546 9.688 10.627 4.836 1.00 0.00 N ATOM 70 CA ASP A 546 9.899 9.194 4.662 1.00 0.00 C ATOM 71 C ASP A 546 8.975 8.633 3.586 1.00 0.00 C ATOM 72 O ASP A 546 8.226 9.374 2.950 1.00 0.00 O ATOM 73 CB ASP A 546 9.667 8.458 5.983 1.00 0.00 C ATOM 74 CG ASP A 546 10.952 8.239 6.757 1.00 0.00 C ATOM 75 OD1 ASP A 546 11.504 9.229 7.284 1.00 0.00 O ATOM 76 OD2 ASP A 546 11.407 7.080 6.838 1.00 0.00 O ATOM 0 H ASP A 546 8.991 10.868 5.541 1.00 0.00 H new ATOM 0 HA ASP A 546 10.931 9.041 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 546 8.970 9.029 6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 546 9.199 7.494 5.781 1.00 0.00 H new ATOM 81 N CYS A 547 9.032 7.320 3.391 1.00 0.00 N ATOM 82 CA CYS A 547 8.200 6.658 2.395 1.00 0.00 C ATOM 83 C CYS A 547 6.721 6.778 2.756 1.00 0.00 C ATOM 84 O CYS A 547 6.256 6.203 3.741 1.00 0.00 O ATOM 85 CB CYS A 547 8.600 5.190 2.265 1.00 0.00 C ATOM 86 SG CYS A 547 10.329 4.935 1.800 1.00 0.00 S ATOM 0 H CYS A 547 9.647 6.693 3.911 1.00 0.00 H new ATOM 0 HA CYS A 547 8.356 7.150 1.435 1.00 0.00 H new ATOM 0 HB2 CYS A 547 8.412 4.688 3.214 1.00 0.00 H new ATOM 0 HB3 CYS A 547 7.961 4.715 1.521 1.00 0.00 H new ATOM 0 HG CYS A 547 10.520 3.682 1.511 1.00 0.00 H new ATOM 92 N SER A 548 5.990 7.539 1.950 1.00 0.00 N ATOM 93 CA SER A 548 4.564 7.758 2.169 1.00 0.00 C ATOM 94 C SER A 548 3.728 6.960 1.180 1.00 0.00 C ATOM 95 O SER A 548 4.180 6.656 0.078 1.00 0.00 O ATOM 96 CB SER A 548 4.231 9.244 2.017 1.00 0.00 C ATOM 97 OG SER A 548 4.330 9.649 0.660 1.00 0.00 O ATOM 0 H SER A 548 6.365 8.019 1.132 1.00 0.00 H new ATOM 0 HA SER A 548 4.328 7.425 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 548 3.223 9.434 2.385 1.00 0.00 H new ATOM 0 HB3 SER A 548 4.911 9.838 2.628 1.00 0.00 H new ATOM 0 HG SER A 548 4.111 10.601 0.586 1.00 0.00 H new ATOM 103 N ILE A 549 2.496 6.650 1.568 1.00 0.00 N ATOM 104 CA ILE A 549 1.585 5.917 0.699 1.00 0.00 C ATOM 105 C ILE A 549 1.280 6.743 -0.548 1.00 0.00 C ATOM 106 O ILE A 549 0.966 6.202 -1.608 1.00 0.00 O ATOM 107 CB ILE A 549 0.259 5.592 1.419 1.00 0.00 C ATOM 108 CG1 ILE A 549 0.530 4.880 2.747 1.00 0.00 C ATOM 109 CG2 ILE A 549 -0.643 4.748 0.528 1.00 0.00 C ATOM 110 CD1 ILE A 549 1.081 3.480 2.586 1.00 0.00 C ATOM 0 H ILE A 549 2.106 6.895 2.478 1.00 0.00 H new ATOM 0 HA ILE A 549 2.072 4.982 0.423 1.00 0.00 H new ATOM 0 HB ILE A 549 -0.255 6.529 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 549 1.235 5.473 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.397 4.833 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -1.572 4.530 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -0.864 5.295 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -0.139 3.814 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 549 1.248 3.039 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 549 0.368 2.870 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 549 2.025 3.521 2.042 1.00 0.00 H new ATOM 122 N VAL A 550 1.375 8.066 -0.403 1.00 0.00 N ATOM 123 CA VAL A 550 1.109 8.986 -1.502 1.00 0.00 C ATOM 124 C VAL A 550 2.164 8.855 -2.598 1.00 0.00 C ATOM 125 O VAL A 550 1.832 8.703 -3.774 1.00 0.00 O ATOM 126 CB VAL A 550 1.075 10.444 -0.989 1.00 0.00 C ATOM 127 CG1 VAL A 550 1.045 11.434 -2.143 1.00 0.00 C ATOM 128 CG2 VAL A 550 -0.116 10.652 -0.066 1.00 0.00 C ATOM 0 H VAL A 550 1.636 8.523 0.471 1.00 0.00 H new ATOM 0 HA VAL A 550 0.137 8.728 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 550 1.989 10.626 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 550 1.021 12.450 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 550 1.936 11.303 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 550 0.156 11.259 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 550 -0.127 11.683 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 550 -1.038 10.445 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 550 -0.038 9.977 0.786 1.00 0.00 H new ATOM 138 N SER A 551 3.434 8.898 -2.207 1.00 0.00 N ATOM 139 CA SER A 551 4.525 8.767 -3.164 1.00 0.00 C ATOM 140 C SER A 551 4.711 7.303 -3.544 1.00 0.00 C ATOM 141 O SER A 551 5.085 6.977 -4.671 1.00 0.00 O ATOM 142 CB SER A 551 5.823 9.327 -2.578 1.00 0.00 C ATOM 143 OG SER A 551 6.811 9.485 -3.581 1.00 0.00 O ATOM 0 H SER A 551 3.731 9.022 -1.239 1.00 0.00 H new ATOM 0 HA SER A 551 4.274 9.338 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 551 5.626 10.288 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 551 6.193 8.658 -1.801 1.00 0.00 H new ATOM 0 HG SER A 551 7.629 9.846 -3.180 1.00 0.00 H new ATOM 149 N PHE A 552 4.436 6.431 -2.583 1.00 0.00 N ATOM 150 CA PHE A 552 4.554 4.995 -2.778 1.00 0.00 C ATOM 151 C PHE A 552 3.548 4.508 -3.820 1.00 0.00 C ATOM 152 O PHE A 552 3.900 3.763 -4.735 1.00 0.00 O ATOM 153 CB PHE A 552 4.338 4.288 -1.434 1.00 0.00 C ATOM 154 CG PHE A 552 3.909 2.855 -1.538 1.00 0.00 C ATOM 155 CD1 PHE A 552 4.558 1.977 -2.390 1.00 0.00 C ATOM 156 CD2 PHE A 552 2.856 2.389 -0.774 1.00 0.00 C ATOM 157 CE1 PHE A 552 4.161 0.656 -2.475 1.00 0.00 C ATOM 158 CE2 PHE A 552 2.454 1.073 -0.853 1.00 0.00 C ATOM 159 CZ PHE A 552 3.107 0.203 -1.704 1.00 0.00 C ATOM 0 H PHE A 552 4.126 6.700 -1.649 1.00 0.00 H new ATOM 0 HA PHE A 552 5.551 4.759 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 552 5.265 4.334 -0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 552 3.586 4.837 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 552 5.382 2.328 -2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 552 2.342 3.065 -0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 552 4.673 -0.021 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 552 1.629 0.723 -0.250 1.00 0.00 H new ATOM 0 HZ PHE A 552 2.795 -0.829 -1.767 1.00 0.00 H new ATOM 169 N LEU A 553 2.299 4.942 -3.681 1.00 0.00 N ATOM 170 CA LEU A 553 1.249 4.557 -4.617 1.00 0.00 C ATOM 171 C LEU A 553 1.415 5.293 -5.941 1.00 0.00 C ATOM 172 O LEU A 553 1.214 4.720 -7.013 1.00 0.00 O ATOM 173 CB LEU A 553 -0.132 4.851 -4.027 1.00 0.00 C ATOM 174 CG LEU A 553 -0.647 3.814 -3.026 1.00 0.00 C ATOM 175 CD1 LEU A 553 -2.044 4.182 -2.549 1.00 0.00 C ATOM 176 CD2 LEU A 553 -0.642 2.426 -3.648 1.00 0.00 C ATOM 0 H LEU A 553 1.990 5.560 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 553 1.333 3.485 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 553 -0.100 5.823 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 553 -0.849 4.931 -4.844 1.00 0.00 H new ATOM 0 HG LEU A 553 0.019 3.806 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 553 -2.395 3.434 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 553 -2.018 5.158 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 553 -2.722 4.218 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 553 -1.011 1.701 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 553 -1.286 2.419 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 553 0.374 2.162 -3.940 1.00 0.00 H new ATOM 188 N ALA A 554 1.790 6.567 -5.858 1.00 0.00 N ATOM 189 CA ALA A 554 1.992 7.382 -7.050 1.00 0.00 C ATOM 190 C ALA A 554 3.045 6.760 -7.958 1.00 0.00 C ATOM 191 O ALA A 554 2.925 6.796 -9.183 1.00 0.00 O ATOM 192 CB ALA A 554 2.393 8.796 -6.661 1.00 0.00 C ATOM 0 H ALA A 554 1.960 7.055 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 554 1.052 7.425 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 554 2.540 9.393 -7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 554 1.606 9.243 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 554 3.320 8.767 -6.089 1.00 0.00 H new ATOM 198 N ARG A 555 4.073 6.182 -7.345 1.00 0.00 N ATOM 199 CA ARG A 555 5.146 5.542 -8.095 1.00 0.00 C ATOM 200 C ARG A 555 4.612 4.364 -8.903 1.00 0.00 C ATOM 201 O ARG A 555 5.158 4.018 -9.951 1.00 0.00 O ATOM 202 CB ARG A 555 6.249 5.069 -7.147 1.00 0.00 C ATOM 203 CG ARG A 555 7.538 4.688 -7.855 1.00 0.00 C ATOM 204 CD ARG A 555 8.341 5.916 -8.249 1.00 0.00 C ATOM 205 NE ARG A 555 8.871 6.621 -7.084 1.00 0.00 N ATOM 206 CZ ARG A 555 9.294 7.883 -7.110 1.00 0.00 C ATOM 207 NH1 ARG A 555 9.253 8.581 -8.238 1.00 0.00 N ATOM 208 NH2 ARG A 555 9.760 8.448 -6.005 1.00 0.00 N ATOM 0 H ARG A 555 4.185 6.144 -6.332 1.00 0.00 H new ATOM 0 HA ARG A 555 5.563 6.275 -8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 555 6.460 5.859 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 555 5.887 4.210 -6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 555 8.138 4.053 -7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 555 7.306 4.103 -8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 555 9.165 5.618 -8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 555 7.710 6.592 -8.826 1.00 0.00 H new ATOM 0 HE ARG A 555 8.920 6.117 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 555 8.896 8.151 -9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 555 9.578 9.548 -8.252 1.00 0.00 H new ATOM 0 HH21 ARG A 555 9.794 7.916 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 555 10.084 9.415 -6.024 1.00 0.00 H new ATOM 222 N LEU A 556 3.537 3.754 -8.411 1.00 0.00 N ATOM 223 CA LEU A 556 2.927 2.616 -9.089 1.00 0.00 C ATOM 224 C LEU A 556 1.821 3.073 -10.038 1.00 0.00 C ATOM 225 O LEU A 556 1.417 2.333 -10.935 1.00 0.00 O ATOM 226 CB LEU A 556 2.358 1.630 -8.066 1.00 0.00 C ATOM 227 CG LEU A 556 3.320 1.230 -6.945 1.00 0.00 C ATOM 228 CD1 LEU A 556 2.562 1.022 -5.642 1.00 0.00 C ATOM 229 CD2 LEU A 556 4.088 -0.026 -7.327 1.00 0.00 C ATOM 0 H LEU A 556 3.071 4.029 -7.546 1.00 0.00 H new ATOM 0 HA LEU A 556 3.701 2.119 -9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 556 1.466 2.069 -7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 556 2.041 0.729 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 556 4.037 2.038 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 556 3.261 0.738 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 556 2.058 1.947 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 556 1.823 0.232 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 556 4.768 -0.297 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 556 3.387 -0.842 -7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 556 4.661 0.160 -8.236 1.00 0.00 H new ATOM 241 N GLY A 557 1.338 4.296 -9.839 1.00 0.00 N ATOM 242 CA GLY A 557 0.288 4.827 -10.688 1.00 0.00 C ATOM 243 C GLY A 557 -1.102 4.511 -10.169 1.00 0.00 C ATOM 244 O GLY A 557 -2.068 4.505 -10.932 1.00 0.00 O ATOM 0 H GLY A 557 1.656 4.928 -9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 557 0.404 5.908 -10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 557 0.398 4.419 -11.693 1.00 0.00 H new ATOM 248 N CYS A 558 -1.207 4.248 -8.869 1.00 0.00 N ATOM 249 CA CYS A 558 -2.492 3.931 -8.258 1.00 0.00 C ATOM 250 C CYS A 558 -2.701 4.735 -6.977 1.00 0.00 C ATOM 251 O CYS A 558 -3.033 4.181 -5.930 1.00 0.00 O ATOM 252 CB CYS A 558 -2.579 2.434 -7.961 1.00 0.00 C ATOM 253 SG CYS A 558 -1.114 1.753 -7.154 1.00 0.00 S ATOM 0 H CYS A 558 -0.419 4.248 -8.221 1.00 0.00 H new ATOM 0 HA CYS A 558 -3.280 4.200 -8.962 1.00 0.00 H new ATOM 0 HB2 CYS A 558 -3.447 2.250 -7.328 1.00 0.00 H new ATOM 0 HB3 CYS A 558 -2.747 1.899 -8.896 1.00 0.00 H new ATOM 0 HG CYS A 558 -1.286 0.482 -6.943 1.00 0.00 H new ATOM 259 N SER A 559 -2.504 6.046 -7.071 1.00 0.00 N ATOM 260 CA SER A 559 -2.671 6.930 -5.922 1.00 0.00 C ATOM 261 C SER A 559 -4.107 6.893 -5.406 1.00 0.00 C ATOM 262 O SER A 559 -4.356 7.116 -4.222 1.00 0.00 O ATOM 263 CB SER A 559 -2.285 8.363 -6.296 1.00 0.00 C ATOM 264 OG SER A 559 -1.313 8.879 -5.403 1.00 0.00 O ATOM 0 H SER A 559 -2.228 6.520 -7.931 1.00 0.00 H new ATOM 0 HA SER A 559 -2.013 6.579 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 559 -1.896 8.384 -7.314 1.00 0.00 H new ATOM 0 HB3 SER A 559 -3.171 8.998 -6.280 1.00 0.00 H new ATOM 0 HG SER A 559 -1.082 9.795 -5.664 1.00 0.00 H new ATOM 270 N SER A 560 -5.049 6.614 -6.301 1.00 0.00 N ATOM 271 CA SER A 560 -6.460 6.552 -5.935 1.00 0.00 C ATOM 272 C SER A 560 -6.702 5.517 -4.837 1.00 0.00 C ATOM 273 O SER A 560 -7.700 5.582 -4.120 1.00 0.00 O ATOM 274 CB SER A 560 -7.311 6.217 -7.160 1.00 0.00 C ATOM 275 OG SER A 560 -7.503 7.360 -7.976 1.00 0.00 O ATOM 0 H SER A 560 -4.861 6.427 -7.286 1.00 0.00 H new ATOM 0 HA SER A 560 -6.749 7.531 -5.552 1.00 0.00 H new ATOM 0 HB2 SER A 560 -6.827 5.430 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 560 -8.278 5.828 -6.840 1.00 0.00 H new ATOM 0 HG SER A 560 -8.049 7.119 -8.753 1.00 0.00 H new ATOM 281 N CYS A 561 -5.785 4.562 -4.713 1.00 0.00 N ATOM 282 CA CYS A 561 -5.905 3.514 -3.705 1.00 0.00 C ATOM 283 C CYS A 561 -5.686 4.064 -2.298 1.00 0.00 C ATOM 284 O CYS A 561 -6.085 3.442 -1.312 1.00 0.00 O ATOM 285 CB CYS A 561 -4.902 2.392 -3.985 1.00 0.00 C ATOM 286 SG CYS A 561 -5.553 1.061 -5.022 1.00 0.00 S ATOM 0 H CYS A 561 -4.952 4.492 -5.297 1.00 0.00 H new ATOM 0 HA CYS A 561 -6.918 3.116 -3.760 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -4.023 2.818 -4.468 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.571 1.970 -3.036 1.00 0.00 H new ATOM 0 HG CYS A 561 -4.710 0.804 -5.978 1.00 0.00 H new ATOM 292 N LEU A 562 -5.044 5.226 -2.204 1.00 0.00 N ATOM 293 CA LEU A 562 -4.768 5.845 -0.910 1.00 0.00 C ATOM 294 C LEU A 562 -6.025 5.936 -0.051 1.00 0.00 C ATOM 295 O LEU A 562 -5.963 5.775 1.167 1.00 0.00 O ATOM 296 CB LEU A 562 -4.166 7.238 -1.096 1.00 0.00 C ATOM 297 CG LEU A 562 -3.040 7.580 -0.119 1.00 0.00 C ATOM 298 CD1 LEU A 562 -1.689 7.483 -0.809 1.00 0.00 C ATOM 299 CD2 LEU A 562 -3.239 8.968 0.471 1.00 0.00 C ATOM 0 H LEU A 562 -4.706 5.757 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 562 -4.048 5.209 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -3.784 7.322 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -4.958 7.979 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.065 6.857 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -0.899 7.730 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.541 6.468 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -1.656 8.182 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.426 9.189 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -3.245 9.707 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -4.189 9.004 1.004 1.00 0.00 H new ATOM 311 N ASP A 563 -7.163 6.193 -0.686 1.00 0.00 N ATOM 312 CA ASP A 563 -8.428 6.307 0.032 1.00 0.00 C ATOM 313 C ASP A 563 -8.664 5.085 0.915 1.00 0.00 C ATOM 314 O ASP A 563 -9.136 5.207 2.047 1.00 0.00 O ATOM 315 CB ASP A 563 -9.586 6.468 -0.954 1.00 0.00 C ATOM 316 CG ASP A 563 -9.880 7.922 -1.267 1.00 0.00 C ATOM 317 OD1 ASP A 563 -9.304 8.449 -2.241 1.00 0.00 O ATOM 318 OD2 ASP A 563 -10.688 8.535 -0.537 1.00 0.00 O ATOM 0 H ASP A 563 -7.236 6.326 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 563 -8.377 7.190 0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 563 -9.349 5.941 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 563 -10.479 6.000 -0.541 1.00 0.00 H new ATOM 323 N TYR A 564 -8.326 3.912 0.396 1.00 0.00 N ATOM 324 CA TYR A 564 -8.492 2.673 1.134 1.00 0.00 C ATOM 325 C TYR A 564 -7.552 2.626 2.335 1.00 0.00 C ATOM 326 O TYR A 564 -7.885 2.060 3.375 1.00 0.00 O ATOM 327 CB TYR A 564 -8.226 1.484 0.213 1.00 0.00 C ATOM 328 CG TYR A 564 -9.009 1.531 -1.080 1.00 0.00 C ATOM 329 CD1 TYR A 564 -10.396 1.596 -1.072 1.00 0.00 C ATOM 330 CD2 TYR A 564 -8.359 1.510 -2.308 1.00 0.00 C ATOM 331 CE1 TYR A 564 -11.114 1.639 -2.252 1.00 0.00 C ATOM 332 CE2 TYR A 564 -9.070 1.553 -3.491 1.00 0.00 C ATOM 333 CZ TYR A 564 -10.447 1.618 -3.459 1.00 0.00 C ATOM 334 OH TYR A 564 -11.158 1.661 -4.636 1.00 0.00 O ATOM 0 H TYR A 564 -7.934 3.796 -0.538 1.00 0.00 H new ATOM 0 HA TYR A 564 -9.517 2.623 1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -7.161 1.446 -0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -8.471 0.563 0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -10.922 1.613 -0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -7.281 1.459 -2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -12.193 1.689 -2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -8.550 1.536 -4.437 1.00 0.00 H new ATOM 0 HH TYR A 564 -10.537 1.639 -5.394 1.00 0.00 H new ATOM 344 N PHE A 565 -6.374 3.225 2.183 1.00 0.00 N ATOM 345 CA PHE A 565 -5.386 3.253 3.256 1.00 0.00 C ATOM 346 C PHE A 565 -5.781 4.258 4.332 1.00 0.00 C ATOM 347 O PHE A 565 -5.763 3.950 5.523 1.00 0.00 O ATOM 348 CB PHE A 565 -4.006 3.599 2.694 1.00 0.00 C ATOM 349 CG PHE A 565 -3.402 2.491 1.882 1.00 0.00 C ATOM 350 CD1 PHE A 565 -3.124 1.267 2.462 1.00 0.00 C ATOM 351 CD2 PHE A 565 -3.121 2.672 0.539 1.00 0.00 C ATOM 352 CE1 PHE A 565 -2.574 0.240 1.718 1.00 0.00 C ATOM 353 CE2 PHE A 565 -2.570 1.650 -0.212 1.00 0.00 C ATOM 354 CZ PHE A 565 -2.296 0.433 0.379 1.00 0.00 C ATOM 0 H PHE A 565 -6.081 3.697 1.328 1.00 0.00 H new ATOM 0 HA PHE A 565 -5.347 2.263 3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 565 -4.087 4.492 2.074 1.00 0.00 H new ATOM 0 HB3 PHE A 565 -3.336 3.843 3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 565 -3.339 1.111 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 565 -3.334 3.622 0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 565 -2.362 -0.712 2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -2.354 1.804 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 565 -1.865 -0.367 -0.205 1.00 0.00 H new ATOM 364 N THR A 566 -6.136 5.461 3.898 1.00 0.00 N ATOM 365 CA THR A 566 -6.536 6.522 4.815 1.00 0.00 C ATOM 366 C THR A 566 -7.739 6.101 5.654 1.00 0.00 C ATOM 367 O THR A 566 -7.820 6.415 6.841 1.00 0.00 O ATOM 368 CB THR A 566 -6.867 7.798 4.039 1.00 0.00 C ATOM 369 OG1 THR A 566 -7.651 7.503 2.894 1.00 0.00 O ATOM 370 CG2 THR A 566 -5.639 8.555 3.578 1.00 0.00 C ATOM 0 H THR A 566 -6.155 5.727 2.914 1.00 0.00 H new ATOM 0 HA THR A 566 -5.699 6.716 5.486 1.00 0.00 H new ATOM 0 HB THR A 566 -7.417 8.427 4.739 1.00 0.00 H new ATOM 0 HG1 THR A 566 -7.992 6.586 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 566 -5.945 9.449 3.034 1.00 0.00 H new ATOM 0 HG22 THR A 566 -5.043 8.843 4.444 1.00 0.00 H new ATOM 0 HG23 THR A 566 -5.044 7.918 2.923 1.00 0.00 H new ATOM 378 N THR A 567 -8.674 5.394 5.027 1.00 0.00 N ATOM 379 CA THR A 567 -9.876 4.936 5.718 1.00 0.00 C ATOM 380 C THR A 567 -9.527 4.111 6.955 1.00 0.00 C ATOM 381 O THR A 567 -10.324 4.009 7.887 1.00 0.00 O ATOM 382 CB THR A 567 -10.751 4.110 4.772 1.00 0.00 C ATOM 383 OG1 THR A 567 -9.990 3.096 4.142 1.00 0.00 O ATOM 384 CG2 THR A 567 -11.403 4.937 3.685 1.00 0.00 C ATOM 0 H THR A 567 -8.624 5.126 4.044 1.00 0.00 H new ATOM 0 HA THR A 567 -10.429 5.818 6.042 1.00 0.00 H new ATOM 0 HB THR A 567 -11.533 3.684 5.400 1.00 0.00 H new ATOM 0 HG1 THR A 567 -9.051 3.179 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 567 -12.009 4.291 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 567 -12.038 5.698 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 567 -10.633 5.419 3.083 1.00 0.00 H new ATOM 392 N GLN A 568 -8.332 3.527 6.962 1.00 0.00 N ATOM 393 CA GLN A 568 -7.888 2.715 8.092 1.00 0.00 C ATOM 394 C GLN A 568 -6.891 3.476 8.962 1.00 0.00 C ATOM 395 O GLN A 568 -6.595 3.067 10.084 1.00 0.00 O ATOM 396 CB GLN A 568 -7.236 1.427 7.594 1.00 0.00 C ATOM 397 CG GLN A 568 -7.933 0.803 6.397 1.00 0.00 C ATOM 398 CD GLN A 568 -9.219 0.093 6.776 1.00 0.00 C ATOM 399 OE1 GLN A 568 -10.307 0.656 6.670 1.00 0.00 O ATOM 400 NE2 GLN A 568 -9.097 -1.153 7.220 1.00 0.00 N ATOM 0 H GLN A 568 -7.656 3.600 6.202 1.00 0.00 H new ATOM 0 HA GLN A 568 -8.766 2.476 8.692 1.00 0.00 H new ATOM 0 HB2 GLN A 568 -6.199 1.636 7.329 1.00 0.00 H new ATOM 0 HB3 GLN A 568 -7.218 0.703 8.409 1.00 0.00 H new ATOM 0 HG2 GLN A 568 -8.153 1.579 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 568 -7.258 0.094 5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 568 -8.174 -1.581 7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 568 -9.927 -1.682 7.489 1.00 0.00 H new ATOM 409 N GLY A 569 -6.375 4.582 8.438 1.00 0.00 N ATOM 410 CA GLY A 569 -5.417 5.377 9.180 1.00 0.00 C ATOM 411 C GLY A 569 -3.997 5.218 8.668 1.00 0.00 C ATOM 412 O GLY A 569 -3.061 5.779 9.239 1.00 0.00 O ATOM 0 H GLY A 569 -6.604 4.942 7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 569 -5.703 6.427 9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 569 -5.453 5.093 10.232 1.00 0.00 H new ATOM 416 N LEU A 570 -3.830 4.457 7.588 1.00 0.00 N ATOM 417 CA LEU A 570 -2.510 4.239 7.007 1.00 0.00 C ATOM 418 C LEU A 570 -2.139 5.387 6.072 1.00 0.00 C ATOM 419 O LEU A 570 -2.742 5.557 5.013 1.00 0.00 O ATOM 420 CB LEU A 570 -2.471 2.914 6.241 1.00 0.00 C ATOM 421 CG LEU A 570 -3.119 1.722 6.958 1.00 0.00 C ATOM 422 CD1 LEU A 570 -4.157 1.064 6.066 1.00 0.00 C ATOM 423 CD2 LEU A 570 -2.062 0.706 7.374 1.00 0.00 C ATOM 0 H LEU A 570 -4.590 3.983 7.100 1.00 0.00 H new ATOM 0 HA LEU A 570 -1.786 4.198 7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -2.968 3.054 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -1.431 2.667 6.028 1.00 0.00 H new ATOM 0 HG LEU A 570 -3.615 2.093 7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -4.606 0.221 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -4.931 1.788 5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -3.680 0.710 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -2.542 -0.131 7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -1.538 0.343 6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -1.349 1.179 8.050 1.00 0.00 H new ATOM 435 N THR A 571 -1.145 6.173 6.472 1.00 0.00 N ATOM 436 CA THR A 571 -0.698 7.307 5.669 1.00 0.00 C ATOM 437 C THR A 571 0.704 7.070 5.117 1.00 0.00 C ATOM 438 O THR A 571 1.060 7.592 4.060 1.00 0.00 O ATOM 439 CB THR A 571 -0.719 8.588 6.504 1.00 0.00 C ATOM 440 OG1 THR A 571 -1.784 8.561 7.438 1.00 0.00 O ATOM 441 CG2 THR A 571 -0.871 9.842 5.671 1.00 0.00 C ATOM 0 H THR A 571 -0.634 6.047 7.346 1.00 0.00 H new ATOM 0 HA THR A 571 -1.384 7.415 4.829 1.00 0.00 H new ATOM 0 HB THR A 571 0.247 8.620 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 571 -1.779 9.388 7.963 1.00 0.00 H new ATOM 0 HG21 THR A 571 -0.879 10.714 6.325 1.00 0.00 H new ATOM 0 HG22 THR A 571 -0.037 9.919 4.973 1.00 0.00 H new ATOM 0 HG23 THR A 571 -1.807 9.798 5.114 1.00 0.00 H new ATOM 449 N THR A 572 1.497 6.283 5.836 1.00 0.00 N ATOM 450 CA THR A 572 2.861 5.981 5.416 1.00 0.00 C ATOM 451 C THR A 572 2.984 4.532 4.967 1.00 0.00 C ATOM 452 O THR A 572 2.247 3.664 5.435 1.00 0.00 O ATOM 453 CB THR A 572 3.847 6.241 6.560 1.00 0.00 C ATOM 454 OG1 THR A 572 3.974 5.091 7.385 1.00 0.00 O ATOM 455 CG2 THR A 572 3.454 7.404 7.448 1.00 0.00 C ATOM 0 H THR A 572 1.219 5.842 6.713 1.00 0.00 H new ATOM 0 HA THR A 572 3.100 6.634 4.577 1.00 0.00 H new ATOM 0 HB THR A 572 4.791 6.486 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 572 4.609 5.276 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 572 4.198 7.528 8.235 1.00 0.00 H new ATOM 0 HG22 THR A 572 3.400 8.315 6.852 1.00 0.00 H new ATOM 0 HG23 THR A 572 2.481 7.206 7.897 1.00 0.00 H new ATOM 463 N ILE A 573 3.936 4.267 4.079 1.00 0.00 N ATOM 464 CA ILE A 573 4.161 2.911 3.604 1.00 0.00 C ATOM 465 C ILE A 573 4.755 2.071 4.724 1.00 0.00 C ATOM 466 O ILE A 573 4.464 0.882 4.851 1.00 0.00 O ATOM 467 CB ILE A 573 5.100 2.881 2.379 1.00 0.00 C ATOM 468 CG1 ILE A 573 4.973 1.544 1.646 1.00 0.00 C ATOM 469 CG2 ILE A 573 6.544 3.125 2.799 1.00 0.00 C ATOM 470 CD1 ILE A 573 5.936 1.398 0.488 1.00 0.00 C ATOM 0 H ILE A 573 4.559 4.968 3.678 1.00 0.00 H new ATOM 0 HA ILE A 573 3.199 2.500 3.297 1.00 0.00 H new ATOM 0 HB ILE A 573 4.805 3.680 1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 573 5.143 0.733 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 573 3.953 1.437 1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 573 7.188 3.099 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 573 6.623 4.100 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 573 6.855 2.350 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 573 5.791 0.427 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 573 5.752 2.188 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 573 6.960 1.473 0.854 1.00 0.00 H new ATOM 482 N TYR A 574 5.587 2.713 5.540 1.00 0.00 N ATOM 483 CA TYR A 574 6.226 2.042 6.666 1.00 0.00 C ATOM 484 C TYR A 574 5.184 1.364 7.546 1.00 0.00 C ATOM 485 O TYR A 574 5.388 0.248 8.022 1.00 0.00 O ATOM 486 CB TYR A 574 7.039 3.042 7.490 1.00 0.00 C ATOM 487 CG TYR A 574 8.440 3.263 6.965 1.00 0.00 C ATOM 488 CD1 TYR A 574 9.409 2.275 7.080 1.00 0.00 C ATOM 489 CD2 TYR A 574 8.792 4.460 6.351 1.00 0.00 C ATOM 490 CE1 TYR A 574 10.690 2.473 6.601 1.00 0.00 C ATOM 491 CE2 TYR A 574 10.071 4.664 5.870 1.00 0.00 C ATOM 492 CZ TYR A 574 11.016 3.669 5.997 1.00 0.00 C ATOM 493 OH TYR A 574 12.291 3.869 5.519 1.00 0.00 O ATOM 0 H TYR A 574 5.834 3.698 5.441 1.00 0.00 H new ATOM 0 HA TYR A 574 6.899 1.280 6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 574 6.513 3.996 7.510 1.00 0.00 H new ATOM 0 HB3 TYR A 574 7.097 2.689 8.520 1.00 0.00 H new ATOM 0 HD1 TYR A 574 9.157 1.337 7.552 1.00 0.00 H new ATOM 0 HD2 TYR A 574 8.054 5.242 6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 574 11.432 1.695 6.699 1.00 0.00 H new ATOM 0 HE2 TYR A 574 10.329 5.600 5.396 1.00 0.00 H new ATOM 0 HH TYR A 574 12.355 4.763 5.122 1.00 0.00 H new ATOM 503 N GLN A 575 4.059 2.044 7.750 1.00 0.00 N ATOM 504 CA GLN A 575 2.978 1.498 8.564 1.00 0.00 C ATOM 505 C GLN A 575 2.503 0.160 8.002 1.00 0.00 C ATOM 506 O GLN A 575 1.975 -0.679 8.732 1.00 0.00 O ATOM 507 CB GLN A 575 1.810 2.485 8.630 1.00 0.00 C ATOM 508 CG GLN A 575 1.457 2.918 10.044 1.00 0.00 C ATOM 509 CD GLN A 575 1.835 4.359 10.325 1.00 0.00 C ATOM 510 OE1 GLN A 575 2.993 4.666 10.608 1.00 0.00 O ATOM 511 NE2 GLN A 575 0.856 5.253 10.249 1.00 0.00 N ATOM 0 H GLN A 575 3.873 2.970 7.365 1.00 0.00 H new ATOM 0 HA GLN A 575 3.359 1.335 9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 575 2.057 3.368 8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 575 0.934 2.029 8.169 1.00 0.00 H new ATOM 0 HG2 GLN A 575 0.386 2.790 10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.965 2.268 10.756 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.090 4.955 10.011 1.00 0.00 H new ATOM 0 HE22 GLN A 575 1.050 6.238 10.429 1.00 0.00 H new ATOM 520 N ILE A 576 2.700 -0.032 6.700 1.00 0.00 N ATOM 521 CA ILE A 576 2.297 -1.267 6.034 1.00 0.00 C ATOM 522 C ILE A 576 3.506 -2.022 5.486 1.00 0.00 C ATOM 523 O ILE A 576 3.363 -2.922 4.662 1.00 0.00 O ATOM 524 CB ILE A 576 1.312 -0.987 4.881 1.00 0.00 C ATOM 525 CG1 ILE A 576 1.965 -0.096 3.820 1.00 0.00 C ATOM 526 CG2 ILE A 576 0.043 -0.340 5.417 1.00 0.00 C ATOM 527 CD1 ILE A 576 1.035 0.271 2.684 1.00 0.00 C ATOM 0 H ILE A 576 3.137 0.654 6.084 1.00 0.00 H new ATOM 0 HA ILE A 576 1.802 -1.883 6.785 1.00 0.00 H new ATOM 0 HB ILE A 576 1.046 -1.935 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 576 2.324 0.817 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 576 2.837 -0.608 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 576 -0.644 -0.148 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 576 -0.431 -1.009 6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 576 0.293 0.601 5.907 1.00 0.00 H new ATOM 0 HD11 ILE A 576 1.564 0.903 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 576 0.696 -0.636 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 576 0.174 0.811 3.078 1.00 0.00 H new ATOM 539 N GLU A 577 4.699 -1.646 5.944 1.00 0.00 N ATOM 540 CA GLU A 577 5.933 -2.286 5.492 1.00 0.00 C ATOM 541 C GLU A 577 5.838 -3.808 5.566 1.00 0.00 C ATOM 542 O GLU A 577 6.433 -4.515 4.753 1.00 0.00 O ATOM 543 CB GLU A 577 7.115 -1.799 6.332 1.00 0.00 C ATOM 544 CG GLU A 577 8.433 -1.787 5.575 1.00 0.00 C ATOM 545 CD GLU A 577 9.629 -1.980 6.486 1.00 0.00 C ATOM 546 OE1 GLU A 577 10.419 -2.916 6.240 1.00 0.00 O ATOM 547 OE2 GLU A 577 9.777 -1.196 7.447 1.00 0.00 O ATOM 0 H GLU A 577 4.837 -0.902 6.628 1.00 0.00 H new ATOM 0 HA GLU A 577 6.087 -2.009 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 577 6.904 -0.793 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 577 7.215 -2.438 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 577 8.423 -2.575 4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 577 8.534 -0.841 5.044 1.00 0.00 H new ATOM 554 N HIS A 578 5.091 -4.308 6.545 1.00 0.00 N ATOM 555 CA HIS A 578 4.928 -5.750 6.720 1.00 0.00 C ATOM 556 C HIS A 578 3.475 -6.168 6.517 1.00 0.00 C ATOM 557 O HIS A 578 3.011 -7.140 7.113 1.00 0.00 O ATOM 558 CB HIS A 578 5.401 -6.171 8.113 1.00 0.00 C ATOM 559 CG HIS A 578 6.743 -5.619 8.482 1.00 0.00 C ATOM 560 ND1 HIS A 578 7.108 -4.386 8.906 1.00 0.00 N flip ATOM 561 CD2 HIS A 578 7.902 -6.366 8.436 1.00 0.00 C flip ATOM 562 CE1 HIS A 578 8.466 -4.411 9.107 1.00 0.00 C flip ATOM 563 NE2 HIS A 578 8.921 -5.616 8.817 1.00 0.00 N flip ATOM 0 H HIS A 578 4.590 -3.740 7.228 1.00 0.00 H new ATOM 0 HA HIS A 578 5.537 -6.251 5.967 1.00 0.00 H new ATOM 0 HB2 HIS A 578 4.668 -5.845 8.851 1.00 0.00 H new ATOM 0 HB3 HIS A 578 5.439 -7.259 8.161 1.00 0.00 H new ATOM 0 HD2 HIS A 578 7.966 -7.401 8.136 1.00 0.00 H new ATOM 0 HE1 HIS A 578 9.065 -3.579 9.447 1.00 0.00 H new ATOM 0 HE2 HIS A 578 9.894 -5.917 8.877 1.00 0.00 H new ATOM 572 N TYR A 579 2.760 -5.428 5.676 1.00 0.00 N ATOM 573 CA TYR A 579 1.360 -5.723 5.402 1.00 0.00 C ATOM 574 C TYR A 579 1.188 -6.961 4.535 1.00 0.00 C ATOM 575 O TYR A 579 1.972 -7.217 3.620 1.00 0.00 O ATOM 576 CB TYR A 579 0.679 -4.530 4.732 1.00 0.00 C ATOM 577 CG TYR A 579 -0.254 -3.781 5.652 1.00 0.00 C ATOM 578 CD1 TYR A 579 0.028 -3.652 7.006 1.00 0.00 C ATOM 579 CD2 TYR A 579 -1.426 -3.221 5.168 1.00 0.00 C ATOM 580 CE1 TYR A 579 -0.835 -2.986 7.852 1.00 0.00 C ATOM 581 CE2 TYR A 579 -2.293 -2.549 6.004 1.00 0.00 C ATOM 582 CZ TYR A 579 -1.995 -2.434 7.347 1.00 0.00 C ATOM 583 OH TYR A 579 -2.863 -1.771 8.187 1.00 0.00 O ATOM 0 H TYR A 579 3.128 -4.620 5.173 1.00 0.00 H new ATOM 0 HA TYR A 579 0.888 -5.922 6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 579 1.442 -3.845 4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 579 0.119 -4.880 3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 579 0.937 -4.080 7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 579 -1.664 -3.312 4.119 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -0.604 -2.897 8.903 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -3.200 -2.115 5.610 1.00 0.00 H new ATOM 0 HH TYR A 579 -2.509 -1.785 9.101 1.00 0.00 H new ATOM 593 N SER A 580 0.137 -7.714 4.830 1.00 0.00 N ATOM 594 CA SER A 580 -0.188 -8.923 4.090 1.00 0.00 C ATOM 595 C SER A 580 -1.298 -8.643 3.089 1.00 0.00 C ATOM 596 O SER A 580 -1.973 -7.616 3.173 1.00 0.00 O ATOM 597 CB SER A 580 -0.645 -10.019 5.053 1.00 0.00 C ATOM 598 OG SER A 580 -1.986 -9.796 5.468 1.00 0.00 O ATOM 0 H SER A 580 -0.512 -7.503 5.588 1.00 0.00 H new ATOM 0 HA SER A 580 0.704 -9.254 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 580 -0.566 -10.992 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 580 0.011 -10.042 5.923 1.00 0.00 H new ATOM 0 HG SER A 580 -1.998 -9.144 6.199 1.00 0.00 H new ATOM 604 N MET A 581 -1.511 -9.566 2.159 1.00 0.00 N ATOM 605 CA MET A 581 -2.573 -9.406 1.176 1.00 0.00 C ATOM 606 C MET A 581 -3.914 -9.290 1.894 1.00 0.00 C ATOM 607 O MET A 581 -4.835 -8.626 1.419 1.00 0.00 O ATOM 608 CB MET A 581 -2.588 -10.592 0.207 1.00 0.00 C ATOM 609 CG MET A 581 -3.732 -10.546 -0.795 1.00 0.00 C ATOM 610 SD MET A 581 -3.163 -10.530 -2.508 1.00 0.00 S ATOM 611 CE MET A 581 -1.862 -9.303 -2.424 1.00 0.00 C ATOM 0 H MET A 581 -0.968 -10.424 2.066 1.00 0.00 H new ATOM 0 HA MET A 581 -2.394 -8.498 0.600 1.00 0.00 H new ATOM 0 HB2 MET A 581 -1.643 -10.620 -0.335 1.00 0.00 H new ATOM 0 HB3 MET A 581 -2.655 -11.517 0.779 1.00 0.00 H new ATOM 0 HG2 MET A 581 -4.379 -11.409 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 581 -4.336 -9.658 -0.609 1.00 0.00 H new ATOM 0 HE1 MET A 581 -1.669 -8.908 -3.422 1.00 0.00 H new ATOM 0 HE2 MET A 581 -2.170 -8.491 -1.766 1.00 0.00 H new ATOM 0 HE3 MET A 581 -0.954 -9.762 -2.034 1.00 0.00 H new ATOM 621 N ASP A 582 -4.001 -9.933 3.058 1.00 0.00 N ATOM 622 CA ASP A 582 -5.212 -9.899 3.866 1.00 0.00 C ATOM 623 C ASP A 582 -5.452 -8.491 4.397 1.00 0.00 C ATOM 624 O ASP A 582 -6.533 -7.928 4.221 1.00 0.00 O ATOM 625 CB ASP A 582 -5.105 -10.887 5.029 1.00 0.00 C ATOM 626 CG ASP A 582 -6.456 -11.218 5.632 1.00 0.00 C ATOM 627 OD1 ASP A 582 -7.431 -11.359 4.864 1.00 0.00 O ATOM 628 OD2 ASP A 582 -6.539 -11.338 6.873 1.00 0.00 O ATOM 0 H ASP A 582 -3.243 -10.484 3.460 1.00 0.00 H new ATOM 0 HA ASP A 582 -6.055 -10.188 3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -4.631 -11.805 4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -4.459 -10.468 5.800 1.00 0.00 H new ATOM 633 N ASP A 583 -4.434 -7.915 5.038 1.00 0.00 N ATOM 634 CA ASP A 583 -4.549 -6.562 5.576 1.00 0.00 C ATOM 635 C ASP A 583 -4.880 -5.581 4.459 1.00 0.00 C ATOM 636 O ASP A 583 -5.836 -4.814 4.554 1.00 0.00 O ATOM 637 CB ASP A 583 -3.248 -6.135 6.266 1.00 0.00 C ATOM 638 CG ASP A 583 -2.821 -7.106 7.349 1.00 0.00 C ATOM 639 OD1 ASP A 583 -3.578 -7.273 8.329 1.00 0.00 O ATOM 640 OD2 ASP A 583 -1.729 -7.698 7.217 1.00 0.00 O ATOM 0 H ASP A 583 -3.530 -8.360 5.195 1.00 0.00 H new ATOM 0 HA ASP A 583 -5.352 -6.558 6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 583 -2.455 -6.054 5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 583 -3.379 -5.144 6.701 1.00 0.00 H new ATOM 645 N LEU A 584 -4.076 -5.621 3.401 1.00 0.00 N ATOM 646 CA LEU A 584 -4.261 -4.746 2.248 1.00 0.00 C ATOM 647 C LEU A 584 -5.687 -4.882 1.700 1.00 0.00 C ATOM 648 O LEU A 584 -6.308 -3.904 1.245 1.00 0.00 O ATOM 649 CB LEU A 584 -3.223 -5.101 1.178 1.00 0.00 C ATOM 650 CG LEU A 584 -2.495 -3.908 0.558 1.00 0.00 C ATOM 651 CD1 LEU A 584 -1.598 -4.352 -0.590 1.00 0.00 C ATOM 652 CD2 LEU A 584 -3.497 -2.872 0.092 1.00 0.00 C ATOM 0 H LEU A 584 -3.283 -6.257 3.318 1.00 0.00 H new ATOM 0 HA LEU A 584 -4.119 -3.708 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 584 -2.483 -5.769 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 584 -3.720 -5.657 0.383 1.00 0.00 H new ATOM 0 HG LEU A 584 -1.858 -3.458 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 584 -1.092 -3.484 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 584 -0.856 -5.060 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 584 -2.203 -4.831 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 584 -2.968 -2.026 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 584 -4.158 -3.314 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 584 -4.087 -2.529 0.942 1.00 0.00 H new ATOM 664 N ALA A 585 -6.212 -6.102 1.770 1.00 0.00 N ATOM 665 CA ALA A 585 -7.566 -6.378 1.315 1.00 0.00 C ATOM 666 C ALA A 585 -8.571 -5.842 2.326 1.00 0.00 C ATOM 667 O ALA A 585 -9.653 -5.378 1.962 1.00 0.00 O ATOM 668 CB ALA A 585 -7.763 -7.871 1.103 1.00 0.00 C ATOM 0 H ALA A 585 -5.717 -6.914 2.138 1.00 0.00 H new ATOM 0 HA ALA A 585 -7.727 -5.876 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 585 -8.781 -8.059 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 585 -7.058 -8.228 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 585 -7.591 -8.398 2.042 1.00 0.00 H new ATOM 674 N SER A 586 -8.195 -5.898 3.603 1.00 0.00 N ATOM 675 CA SER A 586 -9.049 -5.407 4.677 1.00 0.00 C ATOM 676 C SER A 586 -9.242 -3.903 4.546 1.00 0.00 C ATOM 677 O SER A 586 -10.318 -3.376 4.826 1.00 0.00 O ATOM 678 CB SER A 586 -8.438 -5.741 6.040 1.00 0.00 C ATOM 679 OG SER A 586 -9.062 -5.001 7.074 1.00 0.00 O ATOM 0 H SER A 586 -7.303 -6.280 3.917 1.00 0.00 H new ATOM 0 HA SER A 586 -10.020 -5.897 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 586 -8.543 -6.808 6.238 1.00 0.00 H new ATOM 0 HB3 SER A 586 -7.370 -5.523 6.026 1.00 0.00 H new ATOM 0 HG SER A 586 -8.655 -5.234 7.934 1.00 0.00 H new ATOM 685 N LEU A 587 -8.194 -3.219 4.095 1.00 0.00 N ATOM 686 CA LEU A 587 -8.253 -1.773 3.899 1.00 0.00 C ATOM 687 C LEU A 587 -9.247 -1.439 2.792 1.00 0.00 C ATOM 688 O LEU A 587 -9.683 -0.295 2.665 1.00 0.00 O ATOM 689 CB LEU A 587 -6.878 -1.192 3.543 1.00 0.00 C ATOM 690 CG LEU A 587 -5.669 -2.047 3.928 1.00 0.00 C ATOM 691 CD1 LEU A 587 -4.384 -1.386 3.462 1.00 0.00 C ATOM 692 CD2 LEU A 587 -5.641 -2.282 5.429 1.00 0.00 C ATOM 0 H LEU A 587 -7.296 -3.641 3.859 1.00 0.00 H new ATOM 0 HA LEU A 587 -8.577 -1.325 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -6.847 -1.017 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -6.780 -0.220 4.027 1.00 0.00 H new ATOM 0 HG LEU A 587 -5.755 -3.014 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.533 -2.006 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -4.406 -1.271 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.289 -0.406 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -4.775 -2.892 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -5.577 -1.325 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -6.551 -2.798 5.733 1.00 0.00 H new ATOM 704 N LYS A 588 -9.596 -2.460 1.999 1.00 0.00 N ATOM 705 CA LYS A 588 -10.541 -2.327 0.893 1.00 0.00 C ATOM 706 C LYS A 588 -9.829 -2.207 -0.452 1.00 0.00 C ATOM 707 O LYS A 588 -10.444 -1.805 -1.440 1.00 0.00 O ATOM 708 CB LYS A 588 -11.472 -1.131 1.099 1.00 0.00 C ATOM 709 CG LYS A 588 -12.765 -1.217 0.303 1.00 0.00 C ATOM 710 CD LYS A 588 -13.472 0.130 0.239 1.00 0.00 C ATOM 711 CE LYS A 588 -14.801 0.098 0.977 1.00 0.00 C ATOM 712 NZ LYS A 588 -15.951 -0.074 0.047 1.00 0.00 N ATOM 0 H LYS A 588 -9.227 -3.404 2.111 1.00 0.00 H new ATOM 0 HA LYS A 588 -11.139 -3.238 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 588 -11.713 -1.048 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 588 -10.944 -0.219 0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 588 -12.549 -1.564 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 588 -13.426 -1.954 0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 588 -12.832 0.899 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 588 -13.640 0.405 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 588 -14.795 -0.717 1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 588 -14.925 1.023 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 -16.838 -0.091 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 -15.973 0.717 -0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 -15.847 -0.969 -0.472 1.00 0.00 H new ATOM 726 N ILE A 589 -8.543 -2.565 -0.510 1.00 0.00 N ATOM 727 CA ILE A 589 -7.821 -2.486 -1.773 1.00 0.00 C ATOM 728 C ILE A 589 -8.117 -3.721 -2.630 1.00 0.00 C ATOM 729 O ILE A 589 -7.934 -4.854 -2.186 1.00 0.00 O ATOM 730 CB ILE A 589 -6.302 -2.322 -1.550 1.00 0.00 C ATOM 731 CG1 ILE A 589 -6.005 -0.897 -1.080 1.00 0.00 C ATOM 732 CG2 ILE A 589 -5.524 -2.633 -2.823 1.00 0.00 C ATOM 733 CD1 ILE A 589 -5.630 -0.803 0.380 1.00 0.00 C ATOM 0 H ILE A 589 -7.997 -2.903 0.282 1.00 0.00 H new ATOM 0 HA ILE A 589 -8.168 -1.600 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 589 -5.984 -3.030 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 589 -5.193 -0.488 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 589 -6.881 -0.274 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 589 -4.457 -2.509 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 589 -5.722 -3.660 -3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 589 -5.835 -1.952 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 589 -5.434 0.237 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 589 -6.450 -1.181 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 589 -4.735 -1.398 0.565 1.00 0.00 H new ATOM 745 N PRO A 590 -8.603 -3.511 -3.869 1.00 0.00 N ATOM 746 CA PRO A 590 -8.955 -4.604 -4.787 1.00 0.00 C ATOM 747 C PRO A 590 -7.819 -5.599 -4.999 1.00 0.00 C ATOM 748 O PRO A 590 -6.665 -5.327 -4.671 1.00 0.00 O ATOM 749 CB PRO A 590 -9.285 -3.879 -6.093 1.00 0.00 C ATOM 750 CG PRO A 590 -9.709 -2.517 -5.668 1.00 0.00 C ATOM 751 CD PRO A 590 -8.870 -2.189 -4.466 1.00 0.00 C ATOM 0 HA PRO A 590 -9.774 -5.206 -4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -8.419 -3.837 -6.753 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -10.078 -4.389 -6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -9.552 -1.791 -6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -10.771 -2.496 -5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -7.948 -1.680 -4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -9.398 -1.534 -3.773 1.00 0.00 H new ATOM 759 N GLU A 591 -8.165 -6.760 -5.550 1.00 0.00 N ATOM 760 CA GLU A 591 -7.190 -7.812 -5.812 1.00 0.00 C ATOM 761 C GLU A 591 -6.246 -7.423 -6.945 1.00 0.00 C ATOM 762 O GLU A 591 -5.077 -7.808 -6.952 1.00 0.00 O ATOM 763 CB GLU A 591 -7.905 -9.119 -6.158 1.00 0.00 C ATOM 764 CG GLU A 591 -7.205 -10.357 -5.621 1.00 0.00 C ATOM 765 CD GLU A 591 -8.174 -11.378 -5.058 1.00 0.00 C ATOM 766 OE1 GLU A 591 -9.246 -10.969 -4.564 1.00 0.00 O ATOM 767 OE2 GLU A 591 -7.861 -12.586 -5.113 1.00 0.00 O ATOM 0 H GLU A 591 -9.119 -6.995 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 591 -6.598 -7.952 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -8.919 -9.084 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -7.990 -9.201 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -6.623 -10.816 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -6.501 -10.063 -4.843 1.00 0.00 H new ATOM 774 N GLN A 592 -6.763 -6.665 -7.905 1.00 0.00 N ATOM 775 CA GLN A 592 -5.968 -6.230 -9.049 1.00 0.00 C ATOM 776 C GLN A 592 -4.956 -5.157 -8.652 1.00 0.00 C ATOM 777 O GLN A 592 -3.976 -4.929 -9.361 1.00 0.00 O ATOM 778 CB GLN A 592 -6.881 -5.699 -10.155 1.00 0.00 C ATOM 779 CG GLN A 592 -6.271 -5.792 -11.544 1.00 0.00 C ATOM 780 CD GLN A 592 -7.272 -6.234 -12.593 1.00 0.00 C ATOM 781 OE1 GLN A 592 -7.547 -7.425 -12.744 1.00 0.00 O ATOM 782 NE2 GLN A 592 -7.825 -5.274 -13.325 1.00 0.00 N ATOM 0 H GLN A 592 -7.729 -6.338 -7.915 1.00 0.00 H new ATOM 0 HA GLN A 592 -5.417 -7.095 -9.418 1.00 0.00 H new ATOM 0 HB2 GLN A 592 -7.818 -6.256 -10.140 1.00 0.00 H new ATOM 0 HB3 GLN A 592 -7.126 -4.658 -9.944 1.00 0.00 H new ATOM 0 HG2 GLN A 592 -5.863 -4.821 -11.823 1.00 0.00 H new ATOM 0 HG3 GLN A 592 -5.437 -6.494 -11.524 1.00 0.00 H new ATOM 0 HE21 GLN A 592 -7.568 -4.300 -13.166 1.00 0.00 H new ATOM 0 HE22 GLN A 592 -8.507 -5.511 -14.046 1.00 0.00 H new ATOM 791 N PHE A 593 -5.199 -4.495 -7.525 1.00 0.00 N ATOM 792 CA PHE A 593 -4.302 -3.444 -7.054 1.00 0.00 C ATOM 793 C PHE A 593 -3.493 -3.903 -5.847 1.00 0.00 C ATOM 794 O PHE A 593 -2.310 -3.585 -5.725 1.00 0.00 O ATOM 795 CB PHE A 593 -5.099 -2.188 -6.697 1.00 0.00 C ATOM 796 CG PHE A 593 -5.773 -1.549 -7.876 1.00 0.00 C ATOM 797 CD1 PHE A 593 -5.029 -0.909 -8.854 1.00 0.00 C ATOM 798 CD2 PHE A 593 -7.150 -1.589 -8.006 1.00 0.00 C ATOM 799 CE1 PHE A 593 -5.648 -0.321 -9.940 1.00 0.00 C ATOM 800 CE2 PHE A 593 -7.775 -1.002 -9.089 1.00 0.00 C ATOM 801 CZ PHE A 593 -7.023 -0.367 -10.059 1.00 0.00 C ATOM 0 H PHE A 593 -6.005 -4.666 -6.923 1.00 0.00 H new ATOM 0 HA PHE A 593 -3.607 -3.214 -7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 593 -5.853 -2.446 -5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 593 -4.430 -1.463 -6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 593 -3.953 -0.869 -8.766 1.00 0.00 H new ATOM 0 HD2 PHE A 593 -7.743 -2.085 -7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 593 -5.057 0.175 -10.696 1.00 0.00 H new ATOM 0 HE2 PHE A 593 -8.851 -1.039 -9.178 1.00 0.00 H new ATOM 0 HZ PHE A 593 -7.509 0.092 -10.907 1.00 0.00 H new ATOM 811 N ARG A 594 -4.134 -4.647 -4.951 1.00 0.00 N ATOM 812 CA ARG A 594 -3.465 -5.137 -3.749 1.00 0.00 C ATOM 813 C ARG A 594 -2.200 -5.916 -4.100 1.00 0.00 C ATOM 814 O ARG A 594 -1.217 -5.879 -3.365 1.00 0.00 O ATOM 815 CB ARG A 594 -4.412 -6.014 -2.921 1.00 0.00 C ATOM 816 CG ARG A 594 -4.605 -7.413 -3.483 1.00 0.00 C ATOM 817 CD ARG A 594 -5.614 -8.207 -2.666 1.00 0.00 C ATOM 818 NE ARG A 594 -6.930 -7.572 -2.645 1.00 0.00 N ATOM 819 CZ ARG A 594 -8.052 -8.205 -2.310 1.00 0.00 C ATOM 820 NH1 ARG A 594 -8.023 -9.488 -1.970 1.00 0.00 N ATOM 821 NH2 ARG A 594 -9.208 -7.554 -2.315 1.00 0.00 N ATOM 0 H ARG A 594 -5.112 -4.923 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 594 -3.178 -4.270 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 594 -4.025 -6.091 -1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 594 -5.383 -5.522 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 594 -4.943 -7.348 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 594 -3.650 -7.938 -3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 594 -5.704 -9.211 -3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 594 -5.248 -8.314 -1.645 1.00 0.00 H new ATOM 0 HE ARG A 594 -6.992 -6.587 -2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 594 -7.138 -9.994 -1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 594 -8.886 -9.967 -1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 594 -9.237 -6.568 -2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 594 -10.068 -8.039 -2.058 1.00 0.00 H new ATOM 835 N HIS A 595 -2.231 -6.619 -5.226 1.00 0.00 N ATOM 836 CA HIS A 595 -1.081 -7.402 -5.662 1.00 0.00 C ATOM 837 C HIS A 595 0.101 -6.493 -5.984 1.00 0.00 C ATOM 838 O HIS A 595 1.213 -6.714 -5.505 1.00 0.00 O ATOM 839 CB HIS A 595 -1.444 -8.250 -6.882 1.00 0.00 C ATOM 840 CG HIS A 595 -1.057 -9.689 -6.742 1.00 0.00 C ATOM 841 ND1 HIS A 595 -1.136 -10.527 -5.682 1.00 0.00 N flip ATOM 842 CD2 HIS A 595 -0.515 -10.428 -7.773 1.00 0.00 C flip ATOM 843 CE1 HIS A 595 -0.646 -11.745 -6.088 1.00 0.00 C flip ATOM 844 NE2 HIS A 595 -0.278 -11.658 -7.352 1.00 0.00 N flip ATOM 0 H HIS A 595 -3.036 -6.663 -5.851 1.00 0.00 H new ATOM 0 HA HIS A 595 -0.793 -8.066 -4.847 1.00 0.00 H new ATOM 0 HB2 HIS A 595 -2.518 -8.185 -7.053 1.00 0.00 H new ATOM 0 HB3 HIS A 595 -0.955 -7.834 -7.763 1.00 0.00 H new ATOM 0 HD2 HIS A 595 -0.316 -10.059 -8.768 1.00 0.00 H new ATOM 0 HE1 HIS A 595 -0.574 -12.630 -5.473 1.00 0.00 H new ATOM 0 HE2 HIS A 595 0.122 -12.413 -7.910 1.00 0.00 H new ATOM 853 N ALA A 596 -0.148 -5.465 -6.789 1.00 0.00 N ATOM 854 CA ALA A 596 0.898 -4.521 -7.162 1.00 0.00 C ATOM 855 C ALA A 596 1.398 -3.765 -5.939 1.00 0.00 C ATOM 856 O ALA A 596 2.602 -3.671 -5.697 1.00 0.00 O ATOM 857 CB ALA A 596 0.387 -3.551 -8.216 1.00 0.00 C ATOM 0 H ALA A 596 -1.062 -5.265 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 596 1.733 -5.081 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 596 1.180 -2.853 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 596 0.078 -4.106 -9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 596 -0.464 -2.998 -7.819 1.00 0.00 H new ATOM 863 N ILE A 597 0.459 -3.236 -5.166 1.00 0.00 N ATOM 864 CA ILE A 597 0.790 -2.493 -3.957 1.00 0.00 C ATOM 865 C ILE A 597 1.562 -3.377 -2.980 1.00 0.00 C ATOM 866 O ILE A 597 2.583 -2.965 -2.431 1.00 0.00 O ATOM 867 CB ILE A 597 -0.478 -1.947 -3.269 1.00 0.00 C ATOM 868 CG1 ILE A 597 -1.274 -1.077 -4.244 1.00 0.00 C ATOM 869 CG2 ILE A 597 -0.114 -1.150 -2.025 1.00 0.00 C ATOM 870 CD1 ILE A 597 -2.625 -0.652 -3.710 1.00 0.00 C ATOM 0 H ILE A 597 -0.541 -3.308 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 597 1.414 -1.649 -4.251 1.00 0.00 H new ATOM 0 HB ILE A 597 -1.097 -2.791 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 597 -0.691 -0.188 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 597 -1.416 -1.626 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 597 -1.023 -0.774 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 597 0.418 -1.793 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 597 0.524 -0.311 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 597 -3.133 -0.038 -4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 597 -3.226 -1.536 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 597 -2.490 -0.076 -2.795 1.00 0.00 H new ATOM 882 N TRP A 598 1.074 -4.599 -2.781 1.00 0.00 N ATOM 883 CA TRP A 598 1.728 -5.545 -1.883 1.00 0.00 C ATOM 884 C TRP A 598 3.161 -5.795 -2.333 1.00 0.00 C ATOM 885 O TRP A 598 4.088 -5.794 -1.522 1.00 0.00 O ATOM 886 CB TRP A 598 0.959 -6.867 -1.836 1.00 0.00 C ATOM 887 CG TRP A 598 1.398 -7.769 -0.724 1.00 0.00 C ATOM 888 CD1 TRP A 598 1.665 -7.410 0.565 1.00 0.00 C ATOM 889 CD2 TRP A 598 1.623 -9.181 -0.802 1.00 0.00 C ATOM 890 NE1 TRP A 598 2.042 -8.511 1.294 1.00 0.00 N ATOM 891 CE2 TRP A 598 2.024 -9.611 0.478 1.00 0.00 C ATOM 892 CE3 TRP A 598 1.523 -10.125 -1.829 1.00 0.00 C ATOM 893 CZ2 TRP A 598 2.325 -10.942 0.755 1.00 0.00 C ATOM 894 CZ3 TRP A 598 1.822 -11.446 -1.551 1.00 0.00 C ATOM 895 CH2 TRP A 598 2.219 -11.844 -0.268 1.00 0.00 C ATOM 0 H TRP A 598 0.230 -4.956 -3.229 1.00 0.00 H new ATOM 0 HA TRP A 598 1.739 -5.113 -0.882 1.00 0.00 H new ATOM 0 HB2 TRP A 598 -0.105 -6.657 -1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 598 1.084 -7.386 -2.786 1.00 0.00 H new ATOM 0 HD1 TRP A 598 1.591 -6.406 0.955 1.00 0.00 H new ATOM 0 HE1 TRP A 598 2.294 -8.510 2.282 1.00 0.00 H new ATOM 0 HE3 TRP A 598 1.218 -9.828 -2.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 2.632 -11.252 1.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.748 -12.184 -2.336 1.00 0.00 H new ATOM 0 HH2 TRP A 598 2.446 -12.884 -0.083 1.00 0.00 H new ATOM 906 N LYS A 599 3.336 -5.997 -3.635 1.00 0.00 N ATOM 907 CA LYS A 599 4.659 -6.234 -4.199 1.00 0.00 C ATOM 908 C LYS A 599 5.578 -5.061 -3.887 1.00 0.00 C ATOM 909 O LYS A 599 6.761 -5.242 -3.596 1.00 0.00 O ATOM 910 CB LYS A 599 4.565 -6.438 -5.712 1.00 0.00 C ATOM 911 CG LYS A 599 4.267 -7.875 -6.115 1.00 0.00 C ATOM 912 CD LYS A 599 5.434 -8.500 -6.864 1.00 0.00 C ATOM 913 CE LYS A 599 6.276 -9.377 -5.951 1.00 0.00 C ATOM 914 NZ LYS A 599 5.930 -10.819 -6.093 1.00 0.00 N ATOM 0 H LYS A 599 2.579 -6.001 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 599 5.072 -7.137 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 599 3.785 -5.789 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 599 5.504 -6.128 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 599 4.047 -8.465 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 599 3.376 -7.900 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 599 5.057 -9.095 -7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 599 6.057 -7.714 -7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 599 7.332 -9.232 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 599 6.130 -9.069 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 599 6.526 -11.383 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 599 4.929 -10.961 -5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 599 6.093 -11.120 -7.075 1.00 0.00 H new ATOM 928 N GLY A 600 5.018 -3.856 -3.941 1.00 0.00 N ATOM 929 CA GLY A 600 5.794 -2.666 -3.651 1.00 0.00 C ATOM 930 C GLY A 600 6.282 -2.641 -2.217 1.00 0.00 C ATOM 931 O GLY A 600 7.443 -2.325 -1.956 1.00 0.00 O ATOM 0 H GLY A 600 4.042 -3.684 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 600 6.649 -2.618 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 600 5.186 -1.782 -3.842 1.00 0.00 H new ATOM 935 N ILE A 601 5.396 -2.982 -1.283 1.00 0.00 N ATOM 936 CA ILE A 601 5.752 -3.002 0.130 1.00 0.00 C ATOM 937 C ILE A 601 6.887 -3.989 0.387 1.00 0.00 C ATOM 938 O ILE A 601 7.900 -3.643 0.993 1.00 0.00 O ATOM 939 CB ILE A 601 4.548 -3.383 1.020 1.00 0.00 C ATOM 940 CG1 ILE A 601 3.341 -2.489 0.712 1.00 0.00 C ATOM 941 CG2 ILE A 601 4.928 -3.281 2.491 1.00 0.00 C ATOM 942 CD1 ILE A 601 2.178 -2.689 1.660 1.00 0.00 C ATOM 0 H ILE A 601 4.431 -3.247 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 601 6.073 -1.993 0.388 1.00 0.00 H new ATOM 0 HB ILE A 601 4.270 -4.414 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 601 3.654 -1.446 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 601 3.006 -2.684 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 601 4.071 -3.552 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 601 5.755 -3.959 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 601 5.230 -2.259 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 601 1.362 -2.023 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 601 1.838 -3.723 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 601 2.496 -2.465 2.678 1.00 0.00 H new ATOM 954 N LEU A 602 6.709 -5.222 -0.081 1.00 0.00 N ATOM 955 CA LEU A 602 7.711 -6.261 0.094 1.00 0.00 C ATOM 956 C LEU A 602 9.029 -5.866 -0.563 1.00 0.00 C ATOM 957 O LEU A 602 10.103 -6.093 -0.006 1.00 0.00 O ATOM 958 CB LEU A 602 7.205 -7.574 -0.501 1.00 0.00 C ATOM 959 CG LEU A 602 5.917 -8.114 0.122 1.00 0.00 C ATOM 960 CD1 LEU A 602 5.203 -9.043 -0.849 1.00 0.00 C ATOM 961 CD2 LEU A 602 6.219 -8.836 1.427 1.00 0.00 C ATOM 0 H LEU A 602 5.875 -5.523 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 602 7.888 -6.391 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 602 7.042 -7.432 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 602 7.985 -8.328 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 602 5.259 -7.272 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 602 4.289 -9.418 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 602 4.954 -8.497 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 602 5.854 -9.881 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 602 5.291 -9.214 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 602 6.895 -9.669 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 602 6.687 -8.143 2.126 1.00 0.00 H new ATOM 973 N ASP A 603 8.941 -5.272 -1.749 1.00 0.00 N ATOM 974 CA ASP A 603 10.128 -4.845 -2.481 1.00 0.00 C ATOM 975 C ASP A 603 10.977 -3.897 -1.641 1.00 0.00 C ATOM 976 O ASP A 603 12.200 -3.862 -1.771 1.00 0.00 O ATOM 977 CB ASP A 603 9.726 -4.163 -3.791 1.00 0.00 C ATOM 978 CG ASP A 603 10.860 -4.127 -4.796 1.00 0.00 C ATOM 979 OD1 ASP A 603 10.703 -4.708 -5.890 1.00 0.00 O ATOM 980 OD2 ASP A 603 11.906 -3.517 -4.489 1.00 0.00 O ATOM 0 H ASP A 603 8.060 -5.075 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 603 10.722 -5.731 -2.706 1.00 0.00 H new ATOM 0 HB2 ASP A 603 8.876 -4.689 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 603 9.398 -3.145 -3.581 1.00 0.00 H new ATOM 985 N HIS A 604 10.319 -3.131 -0.777 1.00 0.00 N ATOM 986 CA HIS A 604 11.012 -2.183 0.087 1.00 0.00 C ATOM 987 C HIS A 604 11.872 -2.913 1.114 1.00 0.00 C ATOM 988 O HIS A 604 12.902 -2.400 1.551 1.00 0.00 O ATOM 989 CB HIS A 604 10.004 -1.278 0.797 1.00 0.00 C ATOM 990 CG HIS A 604 10.641 -0.175 1.583 1.00 0.00 C ATOM 991 ND1 HIS A 604 11.698 0.574 1.110 1.00 0.00 N ATOM 992 CD2 HIS A 604 10.365 0.307 2.819 1.00 0.00 C ATOM 993 CE1 HIS A 604 12.045 1.468 2.020 1.00 0.00 C ATOM 994 NE2 HIS A 604 11.251 1.326 3.065 1.00 0.00 N ATOM 0 H HIS A 604 9.306 -3.148 -0.657 1.00 0.00 H new ATOM 0 HA HIS A 604 11.664 -1.570 -0.535 1.00 0.00 H new ATOM 0 HB2 HIS A 604 9.332 -0.844 0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 604 9.392 -1.884 1.466 1.00 0.00 H new ATOM 0 HD2 HIS A 604 9.592 -0.045 3.486 1.00 0.00 H new ATOM 0 HE1 HIS A 604 12.842 2.191 1.925 1.00 0.00 H new ATOM 0 HE2 HIS A 604 11.290 1.884 3.918 1.00 0.00 H new ATOM 1003 N ARG A 605 11.443 -4.112 1.495 1.00 0.00 N ATOM 1004 CA ARG A 605 12.173 -4.911 2.471 1.00 0.00 C ATOM 1005 C ARG A 605 13.392 -5.571 1.832 1.00 0.00 C ATOM 1006 O ARG A 605 14.423 -5.752 2.479 1.00 0.00 O ATOM 1007 CB ARG A 605 11.258 -5.979 3.076 1.00 0.00 C ATOM 1008 CG ARG A 605 10.613 -5.556 4.385 1.00 0.00 C ATOM 1009 CD ARG A 605 9.280 -6.254 4.600 1.00 0.00 C ATOM 1010 NE ARG A 605 9.447 -7.595 5.156 1.00 0.00 N ATOM 1011 CZ ARG A 605 8.502 -8.531 5.129 1.00 0.00 C ATOM 1012 NH1 ARG A 605 7.322 -8.278 4.576 1.00 0.00 N ATOM 1013 NH2 ARG A 605 8.736 -9.725 5.657 1.00 0.00 N ATOM 0 H ARG A 605 10.593 -4.551 1.142 1.00 0.00 H new ATOM 0 HA ARG A 605 12.516 -4.246 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 605 10.476 -6.225 2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 605 11.835 -6.889 3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 605 11.283 -5.786 5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 605 10.464 -4.476 4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 605 8.663 -5.657 5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 605 8.748 -6.319 3.651 1.00 0.00 H new ATOM 0 HE ARG A 605 10.340 -7.827 5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 605 7.136 -7.362 4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 605 6.602 -9.000 4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 605 9.640 -9.926 6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 605 8.011 -10.443 5.636 1.00 0.00 H new ATOM 1027 N GLN A 606 13.265 -5.929 0.558 1.00 0.00 N ATOM 1028 CA GLN A 606 14.354 -6.570 -0.168 1.00 0.00 C ATOM 1029 C GLN A 606 15.512 -5.599 -0.382 1.00 0.00 C ATOM 1030 O GLN A 606 16.675 -5.999 -0.402 1.00 0.00 O ATOM 1031 CB GLN A 606 13.858 -7.094 -1.517 1.00 0.00 C ATOM 1032 CG GLN A 606 12.959 -8.314 -1.400 1.00 0.00 C ATOM 1033 CD GLN A 606 13.124 -9.273 -2.564 1.00 0.00 C ATOM 1034 OE1 GLN A 606 13.228 -10.485 -2.375 1.00 0.00 O ATOM 1035 NE2 GLN A 606 13.148 -8.733 -3.777 1.00 0.00 N ATOM 0 H GLN A 606 12.418 -5.786 0.008 1.00 0.00 H new ATOM 0 HA GLN A 606 14.711 -7.408 0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 606 13.315 -6.300 -2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 606 14.717 -7.344 -2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 606 13.181 -8.836 -0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 606 11.919 -7.991 -1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 606 13.058 -7.723 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 606 13.256 -9.328 -4.598 1.00 0.00 H new ATOM 1044 N LEU A 607 15.183 -4.320 -0.542 1.00 0.00 N ATOM 1045 CA LEU A 607 16.195 -3.293 -0.755 1.00 0.00 C ATOM 1046 C LEU A 607 17.031 -3.083 0.504 1.00 0.00 C ATOM 1047 O LEU A 607 18.243 -2.879 0.430 1.00 0.00 O ATOM 1048 CB LEU A 607 15.535 -1.976 -1.170 1.00 0.00 C ATOM 1049 CG LEU A 607 15.443 -1.747 -2.680 1.00 0.00 C ATOM 1050 CD1 LEU A 607 14.182 -0.968 -3.025 1.00 0.00 C ATOM 1051 CD2 LEU A 607 16.678 -1.016 -3.184 1.00 0.00 C ATOM 0 H LEU A 607 14.224 -3.972 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 607 16.855 -3.628 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 607 14.529 -1.943 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 607 16.093 -1.152 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 607 15.393 -2.717 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 607 14.133 -0.814 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 607 13.307 -1.529 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 607 14.202 -0.002 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 607 16.596 -0.862 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 607 16.759 -0.051 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 607 17.566 -1.611 -2.970 1.00 0.00 H new ATOM 1063 N HIS A 608 16.375 -3.134 1.659 1.00 0.00 N ATOM 1064 CA HIS A 608 17.058 -2.951 2.935 1.00 0.00 C ATOM 1065 C HIS A 608 17.622 -4.273 3.446 1.00 0.00 C ATOM 1066 O HIS A 608 18.717 -4.317 4.007 1.00 0.00 O ATOM 1067 CB HIS A 608 16.100 -2.354 3.968 1.00 0.00 C ATOM 1068 CG HIS A 608 16.707 -1.253 4.781 1.00 0.00 C ATOM 1069 ND1 HIS A 608 15.999 -0.144 5.193 1.00 0.00 N ATOM 1070 CD2 HIS A 608 17.965 -1.094 5.259 1.00 0.00 C ATOM 1071 CE1 HIS A 608 16.795 0.650 5.889 1.00 0.00 C ATOM 1072 NE2 HIS A 608 17.991 0.097 5.944 1.00 0.00 N ATOM 0 H HIS A 608 15.372 -3.300 1.738 1.00 0.00 H new ATOM 0 HA HIS A 608 17.888 -2.262 2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 608 15.218 -1.972 3.455 1.00 0.00 H new ATOM 0 HB3 HIS A 608 15.762 -3.145 4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 608 18.792 -1.776 5.126 1.00 0.00 H new ATOM 0 HE1 HIS A 608 16.513 1.592 6.337 1.00 0.00 H new ATOM 0 HE2 HIS A 608 18.804 0.490 6.418 1.00 0.00 H new ATOM 1081 N GLU A 609 16.866 -5.348 3.249 1.00 0.00 N ATOM 1082 CA GLU A 609 17.290 -6.671 3.691 1.00 0.00 C ATOM 1083 C GLU A 609 16.521 -7.763 2.953 1.00 0.00 C ATOM 1084 O GLU A 609 15.370 -8.054 3.280 1.00 0.00 O ATOM 1085 CB GLU A 609 17.087 -6.817 5.201 1.00 0.00 C ATOM 1086 CG GLU A 609 18.350 -6.565 6.010 1.00 0.00 C ATOM 1087 CD GLU A 609 18.904 -7.830 6.637 1.00 0.00 C ATOM 1088 OE1 GLU A 609 18.427 -8.211 7.727 1.00 0.00 O ATOM 1089 OE2 GLU A 609 19.814 -8.440 6.037 1.00 0.00 O ATOM 0 H GLU A 609 15.957 -5.329 2.786 1.00 0.00 H new ATOM 0 HA GLU A 609 18.350 -6.781 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 609 16.313 -6.121 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 609 16.722 -7.822 5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 609 19.108 -6.122 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 609 18.136 -5.839 6.794 1.00 0.00 H new ATOM 1096 N PHE A 610 17.165 -8.364 1.958 1.00 0.00 N ATOM 1097 CA PHE A 610 16.541 -9.424 1.174 1.00 0.00 C ATOM 1098 C PHE A 610 16.819 -10.791 1.789 1.00 0.00 C ATOM 1099 O PHE A 610 17.842 -10.992 2.443 1.00 0.00 O ATOM 1100 CB PHE A 610 17.050 -9.387 -0.269 1.00 0.00 C ATOM 1101 CG PHE A 610 18.524 -9.648 -0.392 1.00 0.00 C ATOM 1102 CD1 PHE A 610 19.436 -8.610 -0.287 1.00 0.00 C ATOM 1103 CD2 PHE A 610 18.998 -10.932 -0.612 1.00 0.00 C ATOM 1104 CE1 PHE A 610 20.793 -8.847 -0.399 1.00 0.00 C ATOM 1105 CE2 PHE A 610 20.355 -11.175 -0.725 1.00 0.00 C ATOM 1106 CZ PHE A 610 21.253 -10.131 -0.619 1.00 0.00 C ATOM 0 H PHE A 610 18.118 -8.135 1.675 1.00 0.00 H new ATOM 0 HA PHE A 610 15.464 -9.257 1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 610 16.508 -10.128 -0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 610 16.825 -8.412 -0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 610 19.082 -7.604 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 610 18.300 -11.752 -0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 610 21.493 -8.029 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 610 20.712 -12.180 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 610 22.313 -10.318 -0.708 1.00 0.00 H new ATOM 1116 N SER A 611 15.901 -11.728 1.575 1.00 0.00 N ATOM 1117 CA SER A 611 16.048 -13.078 2.108 1.00 0.00 C ATOM 1118 C SER A 611 15.406 -14.103 1.178 1.00 0.00 C ATOM 1119 O SER A 611 14.689 -13.744 0.243 1.00 0.00 O ATOM 1120 CB SER A 611 15.417 -13.170 3.499 1.00 0.00 C ATOM 1121 OG SER A 611 16.049 -12.281 4.405 1.00 0.00 O ATOM 0 H SER A 611 15.048 -11.578 1.037 1.00 0.00 H new ATOM 0 HA SER A 611 17.113 -13.299 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 611 14.354 -12.936 3.436 1.00 0.00 H new ATOM 0 HB3 SER A 611 15.497 -14.191 3.871 1.00 0.00 H new ATOM 0 HG SER A 611 15.627 -12.357 5.286 1.00 0.00 H new ATOM 1127 N SER A 612 15.670 -15.378 1.440 1.00 0.00 N ATOM 1128 CA SER A 612 15.120 -16.455 0.625 1.00 0.00 C ATOM 1129 C SER A 612 15.409 -17.817 1.254 1.00 0.00 C ATOM 1130 O SER A 612 16.520 -18.336 1.142 1.00 0.00 O ATOM 1131 CB SER A 612 15.703 -16.401 -0.788 1.00 0.00 C ATOM 1132 OG SER A 612 15.198 -17.456 -1.589 1.00 0.00 O ATOM 0 H SER A 612 16.261 -15.691 2.210 1.00 0.00 H new ATOM 0 HA SER A 612 14.040 -16.321 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 612 15.461 -15.443 -1.248 1.00 0.00 H new ATOM 0 HB3 SER A 612 16.790 -16.466 -0.739 1.00 0.00 H new ATOM 0 HG SER A 612 15.672 -18.286 -1.374 1.00 0.00 H new ATOM 1138 N PRO A 613 14.412 -18.420 1.929 1.00 0.00 N ATOM 1139 CA PRO A 613 14.578 -19.728 2.573 1.00 0.00 C ATOM 1140 C PRO A 613 14.765 -20.851 1.559 1.00 0.00 C ATOM 1141 O PRO A 613 15.600 -21.737 1.747 1.00 0.00 O ATOM 1142 CB PRO A 613 13.269 -19.917 3.345 1.00 0.00 C ATOM 1143 CG PRO A 613 12.280 -19.059 2.636 1.00 0.00 C ATOM 1144 CD PRO A 613 13.053 -17.879 2.117 1.00 0.00 C ATOM 0 HA PRO A 613 15.466 -19.761 3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 613 12.958 -20.962 3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 613 13.378 -19.616 4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 613 11.805 -19.604 1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 613 11.486 -18.739 3.311 1.00 0.00 H new ATOM 0 HD2 PRO A 613 12.636 -17.505 1.182 1.00 0.00 H new ATOM 0 HD3 PRO A 613 13.044 -17.050 2.824 1.00 0.00 H new ATOM 1152 N SER A 614 13.985 -20.809 0.485 1.00 0.00 N ATOM 1153 CA SER A 614 14.067 -21.823 -0.559 1.00 0.00 C ATOM 1154 C SER A 614 15.340 -21.655 -1.382 1.00 0.00 C ATOM 1155 O SER A 614 15.776 -20.534 -1.645 1.00 0.00 O ATOM 1156 CB SER A 614 12.841 -21.747 -1.472 1.00 0.00 C ATOM 1157 OG SER A 614 12.967 -22.633 -2.569 1.00 0.00 O ATOM 0 H SER A 614 13.289 -20.083 0.315 1.00 0.00 H new ATOM 0 HA SER A 614 14.093 -22.801 -0.079 1.00 0.00 H new ATOM 0 HB2 SER A 614 11.944 -21.993 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 614 12.718 -20.727 -1.836 1.00 0.00 H new ATOM 0 HG SER A 614 12.171 -22.567 -3.136 1.00 0.00 H new ATOM 1163 N HIS A 615 15.932 -22.775 -1.785 1.00 0.00 N ATOM 1164 CA HIS A 615 17.155 -22.749 -2.577 1.00 0.00 C ATOM 1165 C HIS A 615 18.288 -22.074 -1.809 1.00 0.00 C ATOM 1166 O HIS A 615 18.104 -21.632 -0.675 1.00 0.00 O ATOM 1167 CB HIS A 615 16.916 -22.021 -3.901 1.00 0.00 C ATOM 1168 CG HIS A 615 16.461 -22.924 -5.005 1.00 0.00 C ATOM 1169 ND1 HIS A 615 15.281 -23.636 -4.958 1.00 0.00 N ATOM 1170 CD2 HIS A 615 17.032 -23.226 -6.196 1.00 0.00 C ATOM 1171 CE1 HIS A 615 15.148 -24.340 -6.068 1.00 0.00 C ATOM 1172 NE2 HIS A 615 16.196 -24.107 -6.836 1.00 0.00 N ATOM 0 H HIS A 615 15.584 -23.711 -1.576 1.00 0.00 H new ATOM 0 HA HIS A 615 17.445 -23.779 -2.784 1.00 0.00 H new ATOM 0 HB2 HIS A 615 16.169 -21.242 -3.748 1.00 0.00 H new ATOM 0 HB3 HIS A 615 17.837 -21.524 -4.205 1.00 0.00 H new ATOM 0 HD2 HIS A 615 17.970 -22.845 -6.572 1.00 0.00 H new ATOM 0 HE1 HIS A 615 14.323 -24.994 -6.306 1.00 0.00 H new ATOM 0 HE2 HIS A 615 16.358 -24.516 -7.756 1.00 0.00 H new ATOM 1181 N LEU A 616 19.457 -21.997 -2.435 1.00 0.00 N ATOM 1182 CA LEU A 616 20.618 -21.376 -1.810 1.00 0.00 C ATOM 1183 C LEU A 616 20.733 -19.909 -2.212 1.00 0.00 C ATOM 1184 O LEU A 616 20.022 -19.441 -3.101 1.00 0.00 O ATOM 1185 CB LEU A 616 21.895 -22.125 -2.200 1.00 0.00 C ATOM 1186 CG LEU A 616 22.050 -23.510 -1.569 1.00 0.00 C ATOM 1187 CD1 LEU A 616 23.211 -24.261 -2.206 1.00 0.00 C ATOM 1188 CD2 LEU A 616 22.246 -23.391 -0.066 1.00 0.00 C ATOM 0 H LEU A 616 19.625 -22.357 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 616 20.489 -21.429 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 616 21.919 -22.232 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 616 22.755 -21.516 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 616 21.137 -24.077 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 616 23.306 -25.244 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 616 23.027 -24.378 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 616 24.133 -23.700 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 616 22.355 -24.386 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 616 23.143 -22.806 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 616 21.381 -22.896 0.376 1.00 0.00 H new ATOM 1200 N LEU A 617 21.631 -19.188 -1.549 1.00 0.00 N ATOM 1201 CA LEU A 617 21.838 -17.771 -1.835 1.00 0.00 C ATOM 1202 C LEU A 617 22.192 -17.555 -3.304 1.00 0.00 C ATOM 1203 O LEU A 617 22.075 -18.467 -4.123 1.00 0.00 O ATOM 1204 CB LEU A 617 22.944 -17.204 -0.939 1.00 0.00 C ATOM 1205 CG LEU A 617 24.372 -17.600 -1.330 1.00 0.00 C ATOM 1206 CD1 LEU A 617 25.384 -16.876 -0.456 1.00 0.00 C ATOM 1207 CD2 LEU A 617 24.555 -19.107 -1.224 1.00 0.00 C ATOM 0 H LEU A 617 22.227 -19.560 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 617 20.907 -17.245 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 617 22.872 -16.116 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 617 22.762 -17.530 0.085 1.00 0.00 H new ATOM 0 HG LEU A 617 24.540 -17.305 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 617 26.392 -17.169 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 617 25.269 -15.799 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 617 25.217 -17.140 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 617 25.575 -19.370 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 617 24.368 -19.425 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 617 23.854 -19.607 -1.892 1.00 0.00 H new ATOM 1219 N ARG A 618 22.625 -16.342 -3.631 1.00 0.00 N ATOM 1220 CA ARG A 618 22.996 -16.004 -5.001 1.00 0.00 C ATOM 1221 C ARG A 618 24.122 -14.977 -5.023 1.00 0.00 C ATOM 1222 O ARG A 618 25.259 -15.294 -5.371 1.00 0.00 O ATOM 1223 CB ARG A 618 21.782 -15.465 -5.762 1.00 0.00 C ATOM 1224 CG ARG A 618 21.026 -16.532 -6.535 1.00 0.00 C ATOM 1225 CD ARG A 618 20.297 -15.942 -7.732 1.00 0.00 C ATOM 1226 NE ARG A 618 19.484 -16.937 -8.425 1.00 0.00 N ATOM 1227 CZ ARG A 618 19.975 -17.833 -9.277 1.00 0.00 C ATOM 1228 NH1 ARG A 618 21.277 -17.863 -9.543 1.00 0.00 N ATOM 1229 NH2 ARG A 618 19.167 -18.704 -9.865 1.00 0.00 N ATOM 0 H ARG A 618 22.728 -15.576 -2.966 1.00 0.00 H new ATOM 0 HA ARG A 618 23.349 -16.912 -5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 618 21.102 -14.990 -5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 618 22.112 -14.691 -6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 618 21.722 -17.299 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 618 20.309 -17.021 -5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 618 19.660 -15.122 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 618 21.024 -15.521 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 618 18.480 -16.946 -8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 618 21.905 -17.197 -9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 618 21.648 -18.552 -10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 618 18.167 -18.688 -9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 618 19.545 -19.390 -10.518 1.00 0.00 H new ATOM 1243 N THR A 619 23.798 -13.743 -4.648 1.00 0.00 N ATOM 1244 CA THR A 619 24.782 -12.667 -4.625 1.00 0.00 C ATOM 1245 C THR A 619 25.058 -12.211 -3.193 1.00 0.00 C ATOM 1246 O THR A 619 24.312 -11.405 -2.637 1.00 0.00 O ATOM 1247 CB THR A 619 24.292 -11.484 -5.462 1.00 0.00 C ATOM 1248 OG1 THR A 619 23.850 -11.918 -6.735 1.00 0.00 O ATOM 1249 CG2 THR A 619 25.352 -10.426 -5.679 1.00 0.00 C ATOM 0 H THR A 619 22.861 -13.464 -4.356 1.00 0.00 H new ATOM 0 HA THR A 619 25.710 -13.048 -5.052 1.00 0.00 H new ATOM 0 HB THR A 619 23.474 -11.045 -4.890 1.00 0.00 H new ATOM 0 HG1 THR A 619 23.539 -11.147 -7.254 1.00 0.00 H new ATOM 0 HG21 THR A 619 24.939 -9.615 -6.280 1.00 0.00 H new ATOM 0 HG22 THR A 619 25.678 -10.034 -4.715 1.00 0.00 H new ATOM 0 HG23 THR A 619 26.204 -10.865 -6.198 1.00 0.00 H new ATOM 1257 N PRO A 620 26.138 -12.721 -2.573 1.00 0.00 N ATOM 1258 CA PRO A 620 26.503 -12.359 -1.200 1.00 0.00 C ATOM 1259 C PRO A 620 26.534 -10.849 -0.988 1.00 0.00 C ATOM 1260 O PRO A 620 27.347 -10.144 -1.586 1.00 0.00 O ATOM 1261 CB PRO A 620 27.905 -12.950 -1.039 1.00 0.00 C ATOM 1262 CG PRO A 620 27.943 -14.093 -1.992 1.00 0.00 C ATOM 1263 CD PRO A 620 27.085 -13.689 -3.160 1.00 0.00 C ATOM 0 HA PRO A 620 25.782 -12.733 -0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 620 28.674 -12.214 -1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 620 28.080 -13.281 -0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 620 28.964 -14.301 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 620 27.564 -15.002 -1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 620 27.677 -13.239 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 620 26.567 -14.545 -3.593 1.00 0.00 H new ATOM 1271 N SER A 621 25.643 -10.358 -0.133 1.00 0.00 N ATOM 1272 CA SER A 621 25.567 -8.932 0.159 1.00 0.00 C ATOM 1273 C SER A 621 25.958 -8.651 1.606 1.00 0.00 C ATOM 1274 O SER A 621 25.275 -9.077 2.538 1.00 0.00 O ATOM 1275 CB SER A 621 24.154 -8.409 -0.111 1.00 0.00 C ATOM 1276 OG SER A 621 23.877 -8.381 -1.500 1.00 0.00 O ATOM 0 H SER A 621 24.963 -10.928 0.370 1.00 0.00 H new ATOM 0 HA SER A 621 26.269 -8.415 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 621 23.426 -9.042 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 621 24.048 -7.407 0.304 1.00 0.00 H new ATOM 0 HG SER A 621 22.975 -8.728 -1.661 1.00 0.00 H new ATOM 1282 N SER A 622 27.060 -7.931 1.788 1.00 0.00 N ATOM 1283 CA SER A 622 27.541 -7.593 3.122 1.00 0.00 C ATOM 1284 C SER A 622 28.354 -6.303 3.096 1.00 0.00 C ATOM 1285 O SER A 622 28.888 -5.920 4.158 1.00 0.00 O ATOM 1286 CB SER A 622 28.391 -8.734 3.683 1.00 0.00 C ATOM 1287 OG SER A 622 28.638 -8.553 5.067 1.00 0.00 O ATOM 1288 OXT SER A 622 28.451 -5.686 2.014 1.00 0.00 O ATOM 0 H SER A 622 27.637 -7.570 1.028 1.00 0.00 H new ATOM 0 HA SER A 622 26.675 -7.442 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 622 27.882 -9.684 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 622 29.338 -8.785 3.145 1.00 0.00 H new ATOM 0 HG SER A 622 28.810 -7.605 5.247 1.00 0.00 H new TER 1294 SER A 622