USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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 Single : A 477 SER OG : rot 14:sc= 1.2 USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 CYS SG : rot -100:sc= 0.762 USER MOD Single : A 486 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.1!) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 493 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 498 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 500 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00982) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0274) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 526 TYR OH : rot 180:sc= 0 USER MOD Single : A 529 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 13:sc= 1.17 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 473 7.527 2.131 -13.577 1.00 0.00 N ATOM 2 CA GLY A 473 7.994 3.527 -13.419 1.00 0.00 C ATOM 3 C GLY A 473 9.471 3.615 -13.036 1.00 0.00 C ATOM 4 O GLY A 473 10.150 2.585 -12.935 1.00 0.00 O ATOM 0 HA2 GLY A 473 7.832 4.068 -14.351 1.00 0.00 H new ATOM 0 HA3 GLY A 473 7.395 4.022 -12.655 1.00 0.00 H new ATOM 8 N PRO A 474 9.990 4.836 -12.800 1.00 0.00 N ATOM 9 CA PRO A 474 11.356 5.071 -12.316 1.00 0.00 C ATOM 10 C PRO A 474 11.538 4.681 -10.834 1.00 0.00 C ATOM 11 O PRO A 474 10.567 4.553 -10.080 1.00 0.00 O ATOM 12 CB PRO A 474 11.594 6.570 -12.535 1.00 0.00 C ATOM 13 CG PRO A 474 10.201 7.176 -12.372 1.00 0.00 C ATOM 14 CD PRO A 474 9.285 6.104 -12.963 1.00 0.00 C ATOM 0 HA PRO A 474 12.076 4.452 -12.851 1.00 0.00 H new ATOM 0 HB2 PRO A 474 12.297 6.976 -11.807 1.00 0.00 H new ATOM 0 HB3 PRO A 474 12.007 6.771 -13.523 1.00 0.00 H new ATOM 0 HG2 PRO A 474 9.967 7.374 -11.326 1.00 0.00 H new ATOM 0 HG3 PRO A 474 10.109 8.123 -12.904 1.00 0.00 H new ATOM 0 HD2 PRO A 474 8.324 6.085 -12.448 1.00 0.00 H new ATOM 0 HD3 PRO A 474 9.079 6.303 -14.015 1.00 0.00 H new ATOM 22 N LEU A 475 12.795 4.514 -10.404 1.00 0.00 N ATOM 23 CA LEU A 475 13.151 4.138 -9.025 1.00 0.00 C ATOM 24 C LEU A 475 13.028 5.305 -8.023 1.00 0.00 C ATOM 25 O LEU A 475 12.463 5.135 -6.939 1.00 0.00 O ATOM 26 CB LEU A 475 14.598 3.601 -9.004 1.00 0.00 C ATOM 27 CG LEU A 475 14.829 2.279 -9.760 1.00 0.00 C ATOM 28 CD1 LEU A 475 16.323 1.947 -9.758 1.00 0.00 C ATOM 29 CD2 LEU A 475 14.081 1.104 -9.125 1.00 0.00 C ATOM 0 H LEU A 475 13.606 4.637 -11.010 1.00 0.00 H new ATOM 0 HA LEU A 475 12.441 3.373 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 475 15.254 4.361 -9.428 1.00 0.00 H new ATOM 0 HB3 LEU A 475 14.900 3.462 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 475 14.452 2.420 -10.773 1.00 0.00 H new ATOM 0 HD11 LEU A 475 16.489 1.012 -10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 475 16.874 2.748 -10.250 1.00 0.00 H new ATOM 0 HD13 LEU A 475 16.671 1.844 -8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 475 14.277 0.196 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 475 14.422 0.968 -8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 475 13.011 1.310 -9.128 1.00 0.00 H new ATOM 41 N GLY A 476 13.563 6.482 -8.377 1.00 0.00 N ATOM 42 CA GLY A 476 13.785 7.614 -7.459 1.00 0.00 C ATOM 43 C GLY A 476 14.872 7.363 -6.394 1.00 0.00 C ATOM 44 O GLY A 476 15.277 6.218 -6.150 1.00 0.00 O ATOM 0 H GLY A 476 13.861 6.681 -9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 476 14.061 8.492 -8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 476 12.847 7.848 -6.956 1.00 0.00 H new ATOM 48 N SER A 477 15.384 8.429 -5.771 1.00 0.00 N ATOM 49 CA SER A 477 16.443 8.412 -4.730 1.00 0.00 C ATOM 50 C SER A 477 16.536 9.759 -3.977 1.00 0.00 C ATOM 51 O SER A 477 17.583 10.417 -3.970 1.00 0.00 O ATOM 52 CB SER A 477 17.811 8.033 -5.338 1.00 0.00 C ATOM 53 OG SER A 477 17.866 6.657 -5.679 1.00 0.00 O ATOM 0 H SER A 477 15.064 9.375 -5.981 1.00 0.00 H new ATOM 0 HA SER A 477 16.164 7.649 -4.003 1.00 0.00 H new ATOM 0 HB2 SER A 477 17.995 8.637 -6.227 1.00 0.00 H new ATOM 0 HB3 SER A 477 18.603 8.264 -4.626 1.00 0.00 H new ATOM 0 HG SER A 477 16.961 6.280 -5.666 1.00 0.00 H new ATOM 59 N GLY A 478 15.429 10.218 -3.376 1.00 0.00 N ATOM 60 CA GLY A 478 15.344 11.544 -2.729 1.00 0.00 C ATOM 61 C GLY A 478 14.203 11.724 -1.715 1.00 0.00 C ATOM 62 O GLY A 478 13.642 12.819 -1.605 1.00 0.00 O ATOM 0 H GLY A 478 14.563 9.682 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 478 16.289 11.741 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 478 15.236 12.300 -3.507 1.00 0.00 H new ATOM 66 N ALA A 479 13.822 10.661 -1.000 1.00 0.00 N ATOM 67 CA ALA A 479 12.707 10.644 -0.045 1.00 0.00 C ATOM 68 C ALA A 479 13.101 11.179 1.357 1.00 0.00 C ATOM 69 O ALA A 479 13.604 10.433 2.206 1.00 0.00 O ATOM 70 CB ALA A 479 12.150 9.214 0.005 1.00 0.00 C ATOM 0 H ALA A 479 14.295 9.760 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 479 11.931 11.330 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 479 11.318 9.172 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 479 11.802 8.924 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 479 12.934 8.529 0.329 1.00 0.00 H new ATOM 76 N LEU A 480 12.880 12.477 1.601 1.00 0.00 N ATOM 77 CA LEU A 480 13.063 13.132 2.912 1.00 0.00 C ATOM 78 C LEU A 480 11.986 12.719 3.944 1.00 0.00 C ATOM 79 O LEU A 480 10.928 12.193 3.578 1.00 0.00 O ATOM 80 CB LEU A 480 13.072 14.664 2.722 1.00 0.00 C ATOM 81 CG LEU A 480 14.182 15.207 1.797 1.00 0.00 C ATOM 82 CD1 LEU A 480 14.071 16.730 1.703 1.00 0.00 C ATOM 83 CD2 LEU A 480 15.586 14.860 2.296 1.00 0.00 C ATOM 0 H LEU A 480 12.561 13.121 0.877 1.00 0.00 H new ATOM 0 HA LEU A 480 14.019 12.801 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 480 12.106 14.970 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 480 13.174 15.134 3.700 1.00 0.00 H new ATOM 0 HG LEU A 480 14.040 14.737 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 480 14.855 17.112 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 480 13.096 16.999 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 480 14.182 17.165 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 480 16.327 15.266 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 480 15.737 15.289 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 480 15.696 13.777 2.350 1.00 0.00 H new ATOM 95 N LYS A 481 12.239 12.990 5.236 1.00 0.00 N ATOM 96 CA LYS A 481 11.402 12.574 6.384 1.00 0.00 C ATOM 97 C LYS A 481 11.199 13.719 7.391 1.00 0.00 C ATOM 98 O LYS A 481 11.803 13.766 8.467 1.00 0.00 O ATOM 99 CB LYS A 481 11.973 11.302 7.045 1.00 0.00 C ATOM 100 CG LYS A 481 12.008 10.096 6.088 1.00 0.00 C ATOM 101 CD LYS A 481 12.416 8.789 6.790 1.00 0.00 C ATOM 102 CE LYS A 481 11.356 8.235 7.757 1.00 0.00 C ATOM 103 NZ LYS A 481 10.165 7.693 7.044 1.00 0.00 N ATOM 0 H LYS A 481 13.060 13.523 5.524 1.00 0.00 H new ATOM 0 HA LYS A 481 10.411 12.326 6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 481 12.982 11.506 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 481 11.371 11.050 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 481 11.025 9.968 5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 481 12.707 10.301 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 481 12.630 8.035 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 481 13.341 8.959 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 481 11.800 7.448 8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 481 11.040 9.026 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 9.480 7.332 7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 9.723 8.448 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 10.460 6.920 6.414 1.00 0.00 H new ATOM 117 N TRP A 482 10.352 14.673 7.005 1.00 0.00 N ATOM 118 CA TRP A 482 9.946 15.825 7.822 1.00 0.00 C ATOM 119 C TRP A 482 9.003 15.437 8.979 1.00 0.00 C ATOM 120 O TRP A 482 8.373 14.374 8.963 1.00 0.00 O ATOM 121 CB TRP A 482 9.280 16.869 6.910 1.00 0.00 C ATOM 122 CG TRP A 482 10.167 17.457 5.849 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.514 16.862 4.683 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.824 18.764 5.831 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.353 17.692 3.965 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.578 18.881 4.625 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.854 19.868 6.709 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.328 20.025 4.313 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.593 21.028 6.405 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.333 21.106 5.211 1.00 0.00 C ATOM 0 H TRP A 482 9.913 14.668 6.084 1.00 0.00 H new ATOM 0 HA TRP A 482 10.840 16.240 8.286 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.420 16.407 6.426 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.899 17.679 7.532 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.184 15.885 4.362 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.756 17.454 3.059 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.298 19.823 7.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.894 20.074 3.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.592 21.862 7.092 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.904 21.995 4.985 1.00 0.00 H new ATOM 141 N VAL A 483 8.857 16.341 9.952 1.00 0.00 N ATOM 142 CA VAL A 483 7.906 16.250 11.076 1.00 0.00 C ATOM 143 C VAL A 483 7.121 17.553 11.240 1.00 0.00 C ATOM 144 O VAL A 483 7.659 18.652 11.076 1.00 0.00 O ATOM 145 CB VAL A 483 8.595 15.878 12.409 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.021 14.407 12.415 1.00 0.00 C ATOM 147 CG2 VAL A 483 9.810 16.748 12.759 1.00 0.00 C ATOM 0 H VAL A 483 9.418 17.192 9.984 1.00 0.00 H new ATOM 0 HA VAL A 483 7.215 15.445 10.828 1.00 0.00 H new ATOM 0 HB VAL A 483 7.839 16.063 13.172 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.503 14.172 13.364 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.143 13.773 12.287 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.720 14.227 11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.232 16.419 13.709 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.562 16.654 11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.500 17.790 12.842 1.00 0.00 H new ATOM 157 N LEU A 484 5.838 17.416 11.582 1.00 0.00 N ATOM 158 CA LEU A 484 4.917 18.513 11.897 1.00 0.00 C ATOM 159 C LEU A 484 4.778 18.594 13.428 1.00 0.00 C ATOM 160 O LEU A 484 4.498 17.588 14.088 1.00 0.00 O ATOM 161 CB LEU A 484 3.577 18.232 11.178 1.00 0.00 C ATOM 162 CG LEU A 484 2.735 19.470 10.795 1.00 0.00 C ATOM 163 CD1 LEU A 484 1.571 19.033 9.900 1.00 0.00 C ATOM 164 CD2 LEU A 484 2.139 20.193 11.994 1.00 0.00 C ATOM 0 H LEU A 484 5.393 16.501 11.650 1.00 0.00 H new ATOM 0 HA LEU A 484 5.280 19.480 11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.787 17.667 10.270 1.00 0.00 H new ATOM 0 HB3 LEU A 484 2.972 17.591 11.819 1.00 0.00 H new ATOM 0 HG LEU A 484 3.415 20.155 10.289 1.00 0.00 H new ATOM 0 HD11 LEU A 484 0.975 19.904 9.628 1.00 0.00 H new ATOM 0 HD12 LEU A 484 1.962 18.564 8.997 1.00 0.00 H new ATOM 0 HD13 LEU A 484 0.947 18.319 10.438 1.00 0.00 H new ATOM 0 HD21 LEU A 484 1.561 21.051 11.651 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.488 19.512 12.542 1.00 0.00 H new ATOM 0 HD23 LEU A 484 2.941 20.534 12.649 1.00 0.00 H new ATOM 176 N CYS A 485 5.023 19.764 14.017 1.00 0.00 N ATOM 177 CA CYS A 485 4.854 19.977 15.460 1.00 0.00 C ATOM 178 C CYS A 485 3.361 19.958 15.859 1.00 0.00 C ATOM 179 O CYS A 485 2.511 20.400 15.088 1.00 0.00 O ATOM 180 CB CYS A 485 5.505 21.321 15.820 1.00 0.00 C ATOM 181 SG CYS A 485 6.291 21.236 17.454 1.00 0.00 S ATOM 0 H CYS A 485 5.343 20.590 13.512 1.00 0.00 H new ATOM 0 HA CYS A 485 5.335 19.169 16.012 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.248 21.584 15.067 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.752 22.109 15.814 1.00 0.00 H new ATOM 0 HG CYS A 485 5.514 21.788 18.338 1.00 0.00 H new ATOM 187 N ASN A 486 3.025 19.525 17.079 1.00 0.00 N ATOM 188 CA ASN A 486 1.640 19.545 17.589 1.00 0.00 C ATOM 189 C ASN A 486 1.421 20.538 18.746 1.00 0.00 C ATOM 190 O ASN A 486 0.276 20.905 19.016 1.00 0.00 O ATOM 191 CB ASN A 486 1.200 18.111 17.963 1.00 0.00 C ATOM 192 CG ASN A 486 0.275 17.450 16.945 1.00 0.00 C ATOM 193 OD1 ASN A 486 0.041 17.917 15.836 1.00 0.00 O ATOM 194 ND2 ASN A 486 -0.332 16.344 17.315 1.00 0.00 N ATOM 0 H ASN A 486 3.701 19.150 17.744 1.00 0.00 H new ATOM 0 HA ASN A 486 1.004 19.914 16.784 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.089 17.491 18.085 1.00 0.00 H new ATOM 0 HB3 ASN A 486 0.696 18.139 18.929 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.988 15.886 16.682 1.00 0.00 H new ATOM 0 HD22 ASN A 486 -0.147 15.944 18.235 1.00 0.00 H new ATOM 201 N TYR A 487 2.499 21.015 19.378 1.00 0.00 N ATOM 202 CA TYR A 487 2.480 21.984 20.480 1.00 0.00 C ATOM 203 C TYR A 487 3.699 22.917 20.387 1.00 0.00 C ATOM 204 O TYR A 487 4.763 22.508 19.915 1.00 0.00 O ATOM 205 CB TYR A 487 2.470 21.227 21.822 1.00 0.00 C ATOM 206 CG TYR A 487 1.329 20.231 21.965 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.032 20.690 22.270 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.547 18.860 21.712 1.00 0.00 C ATOM 209 CE1 TYR A 487 -1.051 19.788 22.299 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.468 17.955 21.749 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.835 18.418 22.030 1.00 0.00 C ATOM 212 OH TYR A 487 -1.879 17.545 22.027 1.00 0.00 O ATOM 0 H TYR A 487 3.444 20.726 19.127 1.00 0.00 H new ATOM 0 HA TYR A 487 1.581 22.597 20.413 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.416 20.698 21.935 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.410 21.951 22.635 1.00 0.00 H new ATOM 0 HD1 TYR A 487 -0.133 21.736 22.482 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.542 18.504 21.490 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -2.045 20.144 22.527 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.638 16.905 21.562 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.552 16.644 21.822 1.00 0.00 H new ATOM 222 N ASP A 488 3.560 24.172 20.818 1.00 0.00 N ATOM 223 CA ASP A 488 4.678 25.128 20.881 1.00 0.00 C ATOM 224 C ASP A 488 5.632 24.793 22.054 1.00 0.00 C ATOM 225 O ASP A 488 5.218 24.194 23.054 1.00 0.00 O ATOM 226 CB ASP A 488 4.153 26.568 21.015 1.00 0.00 C ATOM 227 CG ASP A 488 2.928 26.884 20.138 1.00 0.00 C ATOM 228 OD1 ASP A 488 3.096 27.188 18.934 1.00 0.00 O ATOM 229 OD2 ASP A 488 1.788 26.842 20.662 1.00 0.00 O ATOM 0 H ASP A 488 2.671 24.559 21.134 1.00 0.00 H new ATOM 0 HA ASP A 488 5.240 25.046 19.951 1.00 0.00 H new ATOM 0 HB2 ASP A 488 3.895 26.752 22.058 1.00 0.00 H new ATOM 0 HB3 ASP A 488 4.956 27.259 20.759 1.00 0.00 H new ATOM 234 N PHE A 489 6.904 25.199 21.960 1.00 0.00 N ATOM 235 CA PHE A 489 7.949 24.909 22.949 1.00 0.00 C ATOM 236 C PHE A 489 9.100 25.900 22.769 1.00 0.00 C ATOM 237 O PHE A 489 9.879 25.796 21.822 1.00 0.00 O ATOM 238 CB PHE A 489 8.446 23.463 22.782 1.00 0.00 C ATOM 239 CG PHE A 489 9.554 23.023 23.726 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.253 22.661 25.053 1.00 0.00 C ATOM 241 CD2 PHE A 489 10.884 22.932 23.268 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.272 22.213 25.915 1.00 0.00 C ATOM 243 CE2 PHE A 489 11.898 22.464 24.124 1.00 0.00 C ATOM 244 CZ PHE A 489 11.595 22.113 25.450 1.00 0.00 C ATOM 0 H PHE A 489 7.244 25.753 21.174 1.00 0.00 H new ATOM 0 HA PHE A 489 7.543 25.015 23.955 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.597 22.791 22.912 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.798 23.337 21.758 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.236 22.727 25.411 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.126 23.223 22.256 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.037 21.946 26.935 1.00 0.00 H new ATOM 0 HE2 PHE A 489 12.911 22.374 23.761 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.376 21.767 26.111 1.00 0.00 H new ATOM 254 N GLN A 490 9.181 26.888 23.658 1.00 0.00 N ATOM 255 CA GLN A 490 10.281 27.853 23.704 1.00 0.00 C ATOM 256 C GLN A 490 11.544 27.206 24.300 1.00 0.00 C ATOM 257 O GLN A 490 11.501 26.647 25.401 1.00 0.00 O ATOM 258 CB GLN A 490 9.831 29.062 24.530 1.00 0.00 C ATOM 259 CG GLN A 490 8.878 29.975 23.744 1.00 0.00 C ATOM 260 CD GLN A 490 8.367 31.123 24.614 1.00 0.00 C ATOM 261 OE1 GLN A 490 8.987 32.173 24.740 1.00 0.00 O ATOM 262 NE2 GLN A 490 7.226 30.971 25.257 1.00 0.00 N ATOM 0 H GLN A 490 8.475 27.044 24.377 1.00 0.00 H new ATOM 0 HA GLN A 490 10.534 28.180 22.695 1.00 0.00 H new ATOM 0 HB2 GLN A 490 9.336 28.717 25.437 1.00 0.00 H new ATOM 0 HB3 GLN A 490 10.705 29.633 24.842 1.00 0.00 H new ATOM 0 HG2 GLN A 490 9.393 30.378 22.872 1.00 0.00 H new ATOM 0 HG3 GLN A 490 8.034 29.392 23.375 1.00 0.00 H new ATOM 0 HE21 GLN A 490 6.699 30.103 25.162 1.00 0.00 H new ATOM 0 HE22 GLN A 490 6.871 31.721 25.849 1.00 0.00 H new ATOM 271 N ALA A 491 12.668 27.286 23.577 1.00 0.00 N ATOM 272 CA ALA A 491 13.924 26.618 23.930 1.00 0.00 C ATOM 273 C ALA A 491 15.151 27.382 23.397 1.00 0.00 C ATOM 274 O ALA A 491 15.312 27.537 22.186 1.00 0.00 O ATOM 275 CB ALA A 491 13.896 25.203 23.367 1.00 0.00 C ATOM 0 H ALA A 491 12.730 27.827 22.715 1.00 0.00 H new ATOM 0 HA ALA A 491 14.014 26.592 25.016 1.00 0.00 H new ATOM 0 HB1 ALA A 491 14.825 24.692 23.621 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.054 24.658 23.793 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.790 25.245 22.283 1.00 0.00 H new ATOM 281 N ARG A 492 16.013 27.862 24.299 1.00 0.00 N ATOM 282 CA ARG A 492 17.193 28.707 23.996 1.00 0.00 C ATOM 283 C ARG A 492 18.373 28.443 24.950 1.00 0.00 C ATOM 284 O ARG A 492 19.271 29.276 25.085 1.00 0.00 O ATOM 285 CB ARG A 492 16.746 30.193 24.010 1.00 0.00 C ATOM 286 CG ARG A 492 16.089 30.662 22.698 1.00 0.00 C ATOM 287 CD ARG A 492 17.078 30.826 21.533 1.00 0.00 C ATOM 288 NE ARG A 492 18.039 31.921 21.780 1.00 0.00 N ATOM 289 CZ ARG A 492 19.174 32.143 21.140 1.00 0.00 C ATOM 290 NH1 ARG A 492 19.582 31.389 20.157 1.00 0.00 N ATOM 291 NH2 ARG A 492 19.931 33.148 21.480 1.00 0.00 N ATOM 0 H ARG A 492 15.913 27.672 25.296 1.00 0.00 H new ATOM 0 HA ARG A 492 17.571 28.450 23.006 1.00 0.00 H new ATOM 0 HB2 ARG A 492 16.044 30.343 24.830 1.00 0.00 H new ATOM 0 HB3 ARG A 492 17.613 30.821 24.215 1.00 0.00 H new ATOM 0 HG2 ARG A 492 15.320 29.945 22.411 1.00 0.00 H new ATOM 0 HG3 ARG A 492 15.588 31.614 22.874 1.00 0.00 H new ATOM 0 HD2 ARG A 492 17.621 29.893 21.383 1.00 0.00 H new ATOM 0 HD3 ARG A 492 16.527 31.026 20.614 1.00 0.00 H new ATOM 0 HE ARG A 492 17.801 32.576 22.525 1.00 0.00 H new ATOM 0 HH11 ARG A 492 19.018 30.594 19.856 1.00 0.00 H new ATOM 0 HH12 ARG A 492 20.465 31.595 19.689 1.00 0.00 H new ATOM 0 HH21 ARG A 492 19.648 33.765 22.241 1.00 0.00 H new ATOM 0 HH22 ARG A 492 20.806 33.317 20.985 1.00 0.00 H new ATOM 305 N ASN A 493 18.362 27.294 25.637 1.00 0.00 N ATOM 306 CA ASN A 493 19.281 26.994 26.752 1.00 0.00 C ATOM 307 C ASN A 493 20.782 27.099 26.388 1.00 0.00 C ATOM 308 O ASN A 493 21.540 27.781 27.083 1.00 0.00 O ATOM 309 CB ASN A 493 18.933 25.600 27.306 1.00 0.00 C ATOM 310 CG ASN A 493 19.882 25.170 28.415 1.00 0.00 C ATOM 311 OD1 ASN A 493 20.859 24.467 28.191 1.00 0.00 O ATOM 312 ND2 ASN A 493 19.653 25.601 29.637 1.00 0.00 N ATOM 0 H ASN A 493 17.710 26.536 25.436 1.00 0.00 H new ATOM 0 HA ASN A 493 19.135 27.760 27.514 1.00 0.00 H new ATOM 0 HB2 ASN A 493 17.911 25.606 27.686 1.00 0.00 H new ATOM 0 HB3 ASN A 493 18.967 24.870 26.497 1.00 0.00 H new ATOM 0 HD21 ASN A 493 20.289 25.349 30.394 1.00 0.00 H new ATOM 0 HD22 ASN A 493 18.840 26.187 29.827 1.00 0.00 H new ATOM 319 N SER A 494 21.203 26.429 25.306 1.00 0.00 N ATOM 320 CA SER A 494 22.586 26.442 24.782 1.00 0.00 C ATOM 321 C SER A 494 22.682 25.825 23.376 1.00 0.00 C ATOM 322 O SER A 494 23.260 26.430 22.467 1.00 0.00 O ATOM 323 CB SER A 494 23.515 25.671 25.738 1.00 0.00 C ATOM 324 OG SER A 494 24.864 25.749 25.307 1.00 0.00 O ATOM 0 H SER A 494 20.577 25.845 24.752 1.00 0.00 H new ATOM 0 HA SER A 494 22.895 27.485 24.712 1.00 0.00 H new ATOM 0 HB2 SER A 494 23.427 26.079 26.745 1.00 0.00 H new ATOM 0 HB3 SER A 494 23.205 24.627 25.789 1.00 0.00 H new ATOM 0 HG SER A 494 25.436 25.254 25.930 1.00 0.00 H new ATOM 330 N SER A 495 22.050 24.659 23.174 1.00 0.00 N ATOM 331 CA SER A 495 21.979 23.928 21.888 1.00 0.00 C ATOM 332 C SER A 495 20.544 23.459 21.557 1.00 0.00 C ATOM 333 O SER A 495 20.307 22.602 20.703 1.00 0.00 O ATOM 334 CB SER A 495 22.981 22.763 21.920 1.00 0.00 C ATOM 335 OG SER A 495 23.428 22.431 20.614 1.00 0.00 O ATOM 0 H SER A 495 21.555 24.177 23.925 1.00 0.00 H new ATOM 0 HA SER A 495 22.252 24.607 21.081 1.00 0.00 H new ATOM 0 HB2 SER A 495 23.835 23.032 22.542 1.00 0.00 H new ATOM 0 HB3 SER A 495 22.514 21.892 22.379 1.00 0.00 H new ATOM 0 HG SER A 495 24.065 21.688 20.665 1.00 0.00 H new ATOM 341 N GLU A 496 19.557 24.028 22.253 1.00 0.00 N ATOM 342 CA GLU A 496 18.123 23.845 22.008 1.00 0.00 C ATOM 343 C GLU A 496 17.579 24.970 21.103 1.00 0.00 C ATOM 344 O GLU A 496 18.217 26.018 20.946 1.00 0.00 O ATOM 345 CB GLU A 496 17.394 23.845 23.359 1.00 0.00 C ATOM 346 CG GLU A 496 17.648 22.574 24.183 1.00 0.00 C ATOM 347 CD GLU A 496 17.163 22.698 25.644 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.086 23.287 25.902 1.00 0.00 O ATOM 349 OE2 GLU A 496 17.871 22.202 26.556 1.00 0.00 O ATOM 0 H GLU A 496 19.742 24.655 23.036 1.00 0.00 H new ATOM 0 HA GLU A 496 17.956 22.897 21.497 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.711 24.714 23.936 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.323 23.951 23.187 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.144 21.732 23.708 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.715 22.351 24.177 1.00 0.00 H new ATOM 356 N LEU A 497 16.393 24.765 20.520 1.00 0.00 N ATOM 357 CA LEU A 497 15.753 25.721 19.607 1.00 0.00 C ATOM 358 C LEU A 497 14.224 25.708 19.747 1.00 0.00 C ATOM 359 O LEU A 497 13.592 24.648 19.754 1.00 0.00 O ATOM 360 CB LEU A 497 16.165 25.345 18.171 1.00 0.00 C ATOM 361 CG LEU A 497 15.599 26.256 17.063 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.551 27.403 16.724 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.340 25.438 15.804 1.00 0.00 C ATOM 0 H LEU A 497 15.843 23.920 20.670 1.00 0.00 H new ATOM 0 HA LEU A 497 16.080 26.731 19.852 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.253 25.357 18.108 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.846 24.321 17.975 1.00 0.00 H new ATOM 0 HG LEU A 497 14.669 26.684 17.437 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.113 28.020 15.939 1.00 0.00 H new ATOM 0 HD12 LEU A 497 16.718 28.012 17.613 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.502 26.997 16.378 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.940 26.087 15.025 1.00 0.00 H new ATOM 0 HD22 LEU A 497 16.274 24.992 15.461 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.621 24.649 16.024 1.00 0.00 H new ATOM 375 N SER A 498 13.635 26.903 19.834 1.00 0.00 N ATOM 376 CA SER A 498 12.187 27.105 19.905 1.00 0.00 C ATOM 377 C SER A 498 11.458 26.564 18.667 1.00 0.00 C ATOM 378 O SER A 498 11.948 26.677 17.539 1.00 0.00 O ATOM 379 CB SER A 498 11.902 28.600 20.080 1.00 0.00 C ATOM 380 OG SER A 498 10.524 28.865 20.270 1.00 0.00 O ATOM 0 H SER A 498 14.163 27.775 19.858 1.00 0.00 H new ATOM 0 HA SER A 498 11.808 26.545 20.760 1.00 0.00 H new ATOM 0 HB2 SER A 498 12.464 28.977 20.935 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.256 29.140 19.202 1.00 0.00 H new ATOM 0 HG SER A 498 10.388 29.829 20.379 1.00 0.00 H new ATOM 386 N VAL A 499 10.245 26.049 18.877 1.00 0.00 N ATOM 387 CA VAL A 499 9.331 25.550 17.832 1.00 0.00 C ATOM 388 C VAL A 499 7.883 25.979 18.100 1.00 0.00 C ATOM 389 O VAL A 499 7.520 26.337 19.226 1.00 0.00 O ATOM 390 CB VAL A 499 9.414 24.014 17.660 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.774 23.564 17.115 1.00 0.00 C ATOM 392 CG2 VAL A 499 9.129 23.238 18.952 1.00 0.00 C ATOM 0 H VAL A 499 9.851 25.962 19.814 1.00 0.00 H new ATOM 0 HA VAL A 499 9.659 26.004 16.897 1.00 0.00 H new ATOM 0 HB VAL A 499 8.631 23.781 16.938 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.784 22.479 17.012 1.00 0.00 H new ATOM 0 HG12 VAL A 499 10.946 24.023 16.141 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.561 23.870 17.804 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.204 22.168 18.758 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.855 23.521 19.714 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.124 23.473 19.304 1.00 0.00 H new ATOM 402 N LYS A 500 7.048 25.926 17.055 1.00 0.00 N ATOM 403 CA LYS A 500 5.639 26.358 17.056 1.00 0.00 C ATOM 404 C LYS A 500 4.740 25.263 16.483 1.00 0.00 C ATOM 405 O LYS A 500 5.183 24.468 15.659 1.00 0.00 O ATOM 406 CB LYS A 500 5.472 27.637 16.207 1.00 0.00 C ATOM 407 CG LYS A 500 6.335 28.838 16.621 1.00 0.00 C ATOM 408 CD LYS A 500 5.879 29.496 17.933 1.00 0.00 C ATOM 409 CE LYS A 500 6.808 30.642 18.372 1.00 0.00 C ATOM 410 NZ LYS A 500 6.844 31.769 17.398 1.00 0.00 N ATOM 0 H LYS A 500 7.344 25.567 16.147 1.00 0.00 H new ATOM 0 HA LYS A 500 5.350 26.560 18.087 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.699 27.392 15.169 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.425 27.938 16.242 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.370 28.513 16.727 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.315 29.582 15.824 1.00 0.00 H new ATOM 0 HD2 LYS A 500 4.866 29.880 17.810 1.00 0.00 H new ATOM 0 HD3 LYS A 500 5.841 28.742 18.719 1.00 0.00 H new ATOM 0 HE2 LYS A 500 6.480 31.017 19.341 1.00 0.00 H new ATOM 0 HE3 LYS A 500 7.817 30.253 18.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 7.445 32.531 17.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 7.232 31.434 16.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 5.880 32.130 17.249 1.00 0.00 H new ATOM 424 N GLN A 501 3.457 25.282 16.836 1.00 0.00 N ATOM 425 CA GLN A 501 2.425 24.324 16.395 1.00 0.00 C ATOM 426 C GLN A 501 2.248 24.227 14.862 1.00 0.00 C ATOM 427 O GLN A 501 1.754 23.219 14.355 1.00 0.00 O ATOM 428 CB GLN A 501 1.108 24.706 17.100 1.00 0.00 C ATOM 429 CG GLN A 501 -0.087 23.790 16.786 1.00 0.00 C ATOM 430 CD GLN A 501 -1.352 24.233 17.521 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.483 24.114 18.734 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.333 24.769 16.821 1.00 0.00 N ATOM 0 H GLN A 501 3.084 25.993 17.464 1.00 0.00 H new ATOM 0 HA GLN A 501 2.748 23.322 16.678 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.276 24.703 18.177 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.847 25.727 16.821 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.272 23.790 15.712 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.157 22.766 17.067 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.240 24.875 15.811 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -3.185 25.077 17.290 1.00 0.00 H new ATOM 441 N ARG A 502 2.681 25.248 14.114 1.00 0.00 N ATOM 442 CA ARG A 502 2.622 25.301 12.639 1.00 0.00 C ATOM 443 C ARG A 502 3.995 25.229 11.963 1.00 0.00 C ATOM 444 O ARG A 502 4.082 25.333 10.736 1.00 0.00 O ATOM 445 CB ARG A 502 1.824 26.549 12.206 1.00 0.00 C ATOM 446 CG ARG A 502 2.448 27.863 12.719 1.00 0.00 C ATOM 447 CD ARG A 502 1.891 29.109 12.019 1.00 0.00 C ATOM 448 NE ARG A 502 0.461 29.341 12.312 1.00 0.00 N ATOM 449 CZ ARG A 502 -0.247 30.395 11.940 1.00 0.00 C ATOM 450 NH1 ARG A 502 0.273 31.372 11.248 1.00 0.00 N ATOM 451 NH2 ARG A 502 -1.506 30.493 12.261 1.00 0.00 N ATOM 0 H ARG A 502 3.094 26.086 14.524 1.00 0.00 H new ATOM 0 HA ARG A 502 2.104 24.405 12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 502 1.767 26.579 11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 502 0.802 26.468 12.576 1.00 0.00 H new ATOM 0 HG2 ARG A 502 2.272 27.947 13.791 1.00 0.00 H new ATOM 0 HG3 ARG A 502 3.528 27.825 12.575 1.00 0.00 H new ATOM 0 HD2 ARG A 502 2.466 29.981 12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 502 2.024 29.005 10.942 1.00 0.00 H new ATOM 0 HE ARG A 502 -0.024 28.623 12.850 1.00 0.00 H new ATOM 0 HH11 ARG A 502 1.256 31.338 10.977 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -0.303 32.169 10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 502 -1.953 29.754 12.803 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -2.044 31.309 11.970 1.00 0.00 H new ATOM 465 N ASP A 503 5.066 25.066 12.737 1.00 0.00 N ATOM 466 CA ASP A 503 6.415 24.893 12.195 1.00 0.00 C ATOM 467 C ASP A 503 6.596 23.472 11.620 1.00 0.00 C ATOM 468 O ASP A 503 5.965 22.509 12.079 1.00 0.00 O ATOM 469 CB ASP A 503 7.451 25.212 13.287 1.00 0.00 C ATOM 470 CG ASP A 503 8.845 25.589 12.747 1.00 0.00 C ATOM 471 OD1 ASP A 503 9.024 25.724 11.512 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.756 25.799 13.582 1.00 0.00 O ATOM 0 H ASP A 503 5.025 25.050 13.756 1.00 0.00 H new ATOM 0 HA ASP A 503 6.568 25.588 11.369 1.00 0.00 H new ATOM 0 HB2 ASP A 503 7.077 26.033 13.898 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.550 24.346 13.942 1.00 0.00 H new ATOM 477 N VAL A 504 7.472 23.335 10.625 1.00 0.00 N ATOM 478 CA VAL A 504 7.784 22.072 9.939 1.00 0.00 C ATOM 479 C VAL A 504 9.294 21.979 9.715 1.00 0.00 C ATOM 480 O VAL A 504 9.923 22.906 9.193 1.00 0.00 O ATOM 481 CB VAL A 504 6.956 21.909 8.645 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.163 23.012 7.597 1.00 0.00 C ATOM 483 CG2 VAL A 504 7.216 20.557 7.976 1.00 0.00 C ATOM 0 H VAL A 504 8.004 24.124 10.259 1.00 0.00 H new ATOM 0 HA VAL A 504 7.493 21.231 10.568 1.00 0.00 H new ATOM 0 HB VAL A 504 5.925 21.982 8.991 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.539 22.808 6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 504 6.887 23.976 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.210 23.036 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.616 20.478 7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.272 20.475 7.721 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.945 19.754 8.661 1.00 0.00 H new ATOM 493 N LEU A 505 9.886 20.875 10.179 1.00 0.00 N ATOM 494 CA LEU A 505 11.336 20.705 10.306 1.00 0.00 C ATOM 495 C LEU A 505 11.762 19.298 9.855 1.00 0.00 C ATOM 496 O LEU A 505 10.952 18.369 9.829 1.00 0.00 O ATOM 497 CB LEU A 505 11.798 20.977 11.756 1.00 0.00 C ATOM 498 CG LEU A 505 11.296 22.281 12.421 1.00 0.00 C ATOM 499 CD1 LEU A 505 10.005 22.059 13.221 1.00 0.00 C ATOM 500 CD2 LEU A 505 12.330 22.819 13.411 1.00 0.00 C ATOM 0 H LEU A 505 9.359 20.057 10.483 1.00 0.00 H new ATOM 0 HA LEU A 505 11.819 21.433 9.654 1.00 0.00 H new ATOM 0 HB2 LEU A 505 11.482 20.138 12.375 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.888 20.989 11.768 1.00 0.00 H new ATOM 0 HG LEU A 505 11.120 22.982 11.605 1.00 0.00 H new ATOM 0 HD11 LEU A 505 9.689 23.000 13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.223 21.694 12.555 1.00 0.00 H new ATOM 0 HD13 LEU A 505 10.185 21.325 14.006 1.00 0.00 H new ATOM 0 HD21 LEU A 505 11.955 23.736 13.866 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.511 22.076 14.188 1.00 0.00 H new ATOM 0 HD23 LEU A 505 13.262 23.029 12.886 1.00 0.00 H new ATOM 512 N GLU A 506 13.038 19.134 9.509 1.00 0.00 N ATOM 513 CA GLU A 506 13.572 17.898 8.914 1.00 0.00 C ATOM 514 C GLU A 506 14.552 17.225 9.887 1.00 0.00 C ATOM 515 O GLU A 506 15.472 17.870 10.399 1.00 0.00 O ATOM 516 CB GLU A 506 14.188 18.224 7.540 1.00 0.00 C ATOM 517 CG GLU A 506 14.095 17.081 6.514 1.00 0.00 C ATOM 518 CD GLU A 506 15.152 15.974 6.690 1.00 0.00 C ATOM 519 OE1 GLU A 506 16.364 16.291 6.787 1.00 0.00 O ATOM 520 OE2 GLU A 506 14.776 14.777 6.657 1.00 0.00 O ATOM 0 H GLU A 506 13.743 19.861 9.633 1.00 0.00 H new ATOM 0 HA GLU A 506 12.775 17.174 8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.690 19.104 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.237 18.487 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 506 13.104 16.632 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.191 17.501 5.513 1.00 0.00 H new ATOM 527 N VAL A 507 14.295 15.953 10.213 1.00 0.00 N ATOM 528 CA VAL A 507 14.978 15.220 11.293 1.00 0.00 C ATOM 529 C VAL A 507 16.390 14.796 10.874 1.00 0.00 C ATOM 530 O VAL A 507 16.590 14.182 9.822 1.00 0.00 O ATOM 531 CB VAL A 507 14.159 13.989 11.738 1.00 0.00 C ATOM 532 CG1 VAL A 507 14.796 13.296 12.952 1.00 0.00 C ATOM 533 CG2 VAL A 507 12.728 14.378 12.136 1.00 0.00 C ATOM 0 H VAL A 507 13.595 15.392 9.727 1.00 0.00 H new ATOM 0 HA VAL A 507 15.064 15.900 12.141 1.00 0.00 H new ATOM 0 HB VAL A 507 14.144 13.315 10.882 1.00 0.00 H new ATOM 0 HG11 VAL A 507 14.193 12.434 13.237 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.802 12.965 12.696 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.846 13.996 13.786 1.00 0.00 H new ATOM 0 HG21 VAL A 507 12.181 13.487 12.444 1.00 0.00 H new ATOM 0 HG22 VAL A 507 12.760 15.087 12.963 1.00 0.00 H new ATOM 0 HG23 VAL A 507 12.225 14.836 11.284 1.00 0.00 H new ATOM 543 N LEU A 508 17.364 15.089 11.736 1.00 0.00 N ATOM 544 CA LEU A 508 18.799 14.872 11.519 1.00 0.00 C ATOM 545 C LEU A 508 19.364 13.766 12.427 1.00 0.00 C ATOM 546 O LEU A 508 20.281 13.045 12.030 1.00 0.00 O ATOM 547 CB LEU A 508 19.554 16.182 11.817 1.00 0.00 C ATOM 548 CG LEU A 508 19.004 17.460 11.159 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.821 18.641 11.672 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.071 17.424 9.634 1.00 0.00 C ATOM 0 H LEU A 508 17.167 15.503 12.647 1.00 0.00 H new ATOM 0 HA LEU A 508 18.933 14.562 10.483 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.563 16.332 12.897 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.590 16.057 11.504 1.00 0.00 H new ATOM 0 HG LEU A 508 17.950 17.549 11.423 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.452 19.562 11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.727 18.705 12.756 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.869 18.501 11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.669 18.353 9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.108 17.310 9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.484 16.583 9.264 1.00 0.00 H new ATOM 562 N ASP A 509 18.814 13.627 13.637 1.00 0.00 N ATOM 563 CA ASP A 509 19.161 12.585 14.609 1.00 0.00 C ATOM 564 C ASP A 509 17.936 12.195 15.455 1.00 0.00 C ATOM 565 O ASP A 509 17.161 13.055 15.881 1.00 0.00 O ATOM 566 CB ASP A 509 20.298 13.078 15.518 1.00 0.00 C ATOM 567 CG ASP A 509 20.789 11.960 16.452 1.00 0.00 C ATOM 568 OD1 ASP A 509 21.601 11.116 16.003 1.00 0.00 O ATOM 569 OD2 ASP A 509 20.358 11.907 17.627 1.00 0.00 O ATOM 0 H ASP A 509 18.090 14.259 13.979 1.00 0.00 H new ATOM 0 HA ASP A 509 19.494 11.701 14.065 1.00 0.00 H new ATOM 0 HB2 ASP A 509 21.127 13.435 14.907 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.952 13.925 16.111 1.00 0.00 H new ATOM 574 N ASP A 510 17.793 10.892 15.706 1.00 0.00 N ATOM 575 CA ASP A 510 16.685 10.257 16.438 1.00 0.00 C ATOM 576 C ASP A 510 17.172 9.182 17.445 1.00 0.00 C ATOM 577 O ASP A 510 16.400 8.324 17.886 1.00 0.00 O ATOM 578 CB ASP A 510 15.663 9.700 15.424 1.00 0.00 C ATOM 579 CG ASP A 510 16.193 8.603 14.473 1.00 0.00 C ATOM 580 OD1 ASP A 510 17.326 8.086 14.646 1.00 0.00 O ATOM 581 OD2 ASP A 510 15.460 8.244 13.521 1.00 0.00 O ATOM 0 H ASP A 510 18.483 10.211 15.388 1.00 0.00 H new ATOM 0 HA ASP A 510 16.194 11.013 17.051 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.814 9.297 15.976 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.288 10.528 14.822 1.00 0.00 H new ATOM 586 N SER A 511 18.465 9.216 17.803 1.00 0.00 N ATOM 587 CA SER A 511 19.142 8.237 18.675 1.00 0.00 C ATOM 588 C SER A 511 18.595 8.206 20.115 1.00 0.00 C ATOM 589 O SER A 511 18.571 7.148 20.757 1.00 0.00 O ATOM 590 CB SER A 511 20.642 8.561 18.695 1.00 0.00 C ATOM 591 OG SER A 511 21.386 7.557 19.368 1.00 0.00 O ATOM 0 H SER A 511 19.093 9.953 17.482 1.00 0.00 H new ATOM 0 HA SER A 511 18.952 7.246 18.262 1.00 0.00 H new ATOM 0 HB2 SER A 511 21.007 8.661 17.673 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.801 9.522 19.185 1.00 0.00 H new ATOM 0 HG SER A 511 22.337 7.794 19.361 1.00 0.00 H new ATOM 597 N ARG A 512 18.112 9.353 20.610 1.00 0.00 N ATOM 598 CA ARG A 512 17.517 9.564 21.943 1.00 0.00 C ATOM 599 C ARG A 512 16.260 10.437 21.850 1.00 0.00 C ATOM 600 O ARG A 512 15.996 11.031 20.807 1.00 0.00 O ATOM 601 CB ARG A 512 18.553 10.231 22.871 1.00 0.00 C ATOM 602 CG ARG A 512 19.814 9.384 23.091 1.00 0.00 C ATOM 603 CD ARG A 512 20.653 9.977 24.228 1.00 0.00 C ATOM 604 NE ARG A 512 21.881 9.189 24.462 1.00 0.00 N ATOM 605 CZ ARG A 512 22.519 9.027 25.609 1.00 0.00 C ATOM 606 NH1 ARG A 512 22.112 9.570 26.725 1.00 0.00 N ATOM 607 NH2 ARG A 512 23.601 8.303 25.660 1.00 0.00 N ATOM 0 H ARG A 512 18.125 10.212 20.060 1.00 0.00 H new ATOM 0 HA ARG A 512 17.229 8.596 22.352 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.841 11.194 22.448 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.088 10.433 23.836 1.00 0.00 H new ATOM 0 HG2 ARG A 512 19.535 8.358 23.331 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.403 9.348 22.174 1.00 0.00 H new ATOM 0 HD2 ARG A 512 20.920 11.006 23.986 1.00 0.00 H new ATOM 0 HD3 ARG A 512 20.060 10.008 25.142 1.00 0.00 H new ATOM 0 HE ARG A 512 22.280 8.718 23.650 1.00 0.00 H new ATOM 0 HH11 ARG A 512 21.270 10.146 26.735 1.00 0.00 H new ATOM 0 HH12 ARG A 512 22.636 9.418 27.587 1.00 0.00 H new ATOM 0 HH21 ARG A 512 23.958 7.859 24.814 1.00 0.00 H new ATOM 0 HH22 ARG A 512 24.091 8.180 26.546 1.00 0.00 H new ATOM 621 N LYS A 513 15.518 10.561 22.957 1.00 0.00 N ATOM 622 CA LYS A 513 14.301 11.394 23.113 1.00 0.00 C ATOM 623 C LYS A 513 14.432 12.855 22.651 1.00 0.00 C ATOM 624 O LYS A 513 13.456 13.434 22.174 1.00 0.00 O ATOM 625 CB LYS A 513 13.822 11.305 24.572 1.00 0.00 C ATOM 626 CG LYS A 513 14.824 11.909 25.575 1.00 0.00 C ATOM 627 CD LYS A 513 14.770 11.178 26.919 1.00 0.00 C ATOM 628 CE LYS A 513 15.892 11.685 27.834 1.00 0.00 C ATOM 629 NZ LYS A 513 15.994 10.875 29.077 1.00 0.00 N ATOM 0 H LYS A 513 15.754 10.062 23.815 1.00 0.00 H new ATOM 0 HA LYS A 513 13.556 10.980 22.433 1.00 0.00 H new ATOM 0 HB2 LYS A 513 12.867 11.821 24.667 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.647 10.260 24.827 1.00 0.00 H new ATOM 0 HG2 LYS A 513 15.833 11.850 25.166 1.00 0.00 H new ATOM 0 HG3 LYS A 513 14.602 12.966 25.724 1.00 0.00 H new ATOM 0 HD2 LYS A 513 13.802 11.340 27.392 1.00 0.00 H new ATOM 0 HD3 LYS A 513 14.873 10.104 26.763 1.00 0.00 H new ATOM 0 HE2 LYS A 513 16.841 11.652 27.299 1.00 0.00 H new ATOM 0 HE3 LYS A 513 15.708 12.728 28.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 16.763 11.246 29.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 15.096 10.927 29.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 16.195 9.885 28.831 1.00 0.00 H new ATOM 643 N TRP A 514 15.623 13.445 22.762 1.00 0.00 N ATOM 644 CA TRP A 514 15.948 14.760 22.200 1.00 0.00 C ATOM 645 C TRP A 514 16.351 14.621 20.724 1.00 0.00 C ATOM 646 O TRP A 514 17.529 14.438 20.401 1.00 0.00 O ATOM 647 CB TRP A 514 17.034 15.444 23.037 1.00 0.00 C ATOM 648 CG TRP A 514 16.593 15.864 24.407 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.682 15.121 25.534 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.980 17.127 24.811 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.150 15.825 26.599 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.699 17.069 26.210 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.640 18.321 24.139 1.00 0.00 C ATOM 654 CZ2 TRP A 514 15.101 18.134 26.901 1.00 0.00 C ATOM 655 CZ3 TRP A 514 15.050 19.402 24.823 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.774 19.308 26.199 1.00 0.00 C ATOM 0 H TRP A 514 16.406 13.015 23.255 1.00 0.00 H new ATOM 0 HA TRP A 514 15.065 15.397 22.237 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.881 14.765 23.134 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.390 16.322 22.499 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.104 14.129 25.593 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.098 15.469 27.553 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.836 18.407 23.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.895 18.053 27.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.808 20.308 24.288 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.312 20.136 26.716 1.00 0.00 H new ATOM 667 N TRP A 515 15.366 14.668 19.823 1.00 0.00 N ATOM 668 CA TRP A 515 15.604 14.678 18.375 1.00 0.00 C ATOM 669 C TRP A 515 16.282 15.989 17.956 1.00 0.00 C ATOM 670 O TRP A 515 15.993 17.054 18.512 1.00 0.00 O ATOM 671 CB TRP A 515 14.284 14.461 17.606 1.00 0.00 C ATOM 672 CG TRP A 515 13.726 13.061 17.614 1.00 0.00 C ATOM 673 CD1 TRP A 515 14.005 12.110 18.532 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.813 12.416 16.665 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.366 10.930 18.220 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.619 11.058 17.073 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.127 12.831 15.501 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.817 10.157 16.359 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.314 11.933 14.778 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.165 10.599 15.198 1.00 0.00 C ATOM 0 H TRP A 515 14.379 14.700 20.077 1.00 0.00 H new ATOM 0 HA TRP A 515 16.274 13.855 18.125 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.532 15.131 18.023 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.439 14.761 16.570 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.642 12.255 19.392 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.438 10.073 18.769 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.227 13.851 15.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.703 9.138 16.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.800 12.274 13.891 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.551 9.917 14.629 1.00 0.00 H new ATOM 691 N LYS A 516 17.163 15.918 16.950 1.00 0.00 N ATOM 692 CA LYS A 516 17.803 17.094 16.337 1.00 0.00 C ATOM 693 C LYS A 516 17.161 17.363 14.982 1.00 0.00 C ATOM 694 O LYS A 516 17.014 16.443 14.177 1.00 0.00 O ATOM 695 CB LYS A 516 19.326 16.893 16.221 1.00 0.00 C ATOM 696 CG LYS A 516 20.042 18.250 16.087 1.00 0.00 C ATOM 697 CD LYS A 516 21.579 18.183 16.042 1.00 0.00 C ATOM 698 CE LYS A 516 22.177 17.814 14.673 1.00 0.00 C ATOM 699 NZ LYS A 516 22.379 16.349 14.484 1.00 0.00 N ATOM 0 H LYS A 516 17.456 15.034 16.533 1.00 0.00 H new ATOM 0 HA LYS A 516 17.649 17.966 16.973 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.697 16.365 17.100 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.551 16.270 15.356 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.690 18.740 15.179 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.747 18.882 16.925 1.00 0.00 H new ATOM 0 HD2 LYS A 516 21.978 19.150 16.347 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.917 17.453 16.777 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.520 18.186 13.887 1.00 0.00 H new ATOM 0 HE3 LYS A 516 23.134 18.322 14.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 22.921 16.183 13.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 22.903 15.963 15.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 21.455 15.878 14.412 1.00 0.00 H new ATOM 713 N VAL A 517 16.785 18.612 14.731 1.00 0.00 N ATOM 714 CA VAL A 517 16.028 19.047 13.544 1.00 0.00 C ATOM 715 C VAL A 517 16.573 20.375 13.001 1.00 0.00 C ATOM 716 O VAL A 517 17.243 21.124 13.721 1.00 0.00 O ATOM 717 CB VAL A 517 14.519 19.176 13.860 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.820 17.819 14.017 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.234 20.034 15.099 1.00 0.00 C ATOM 0 H VAL A 517 17.002 19.382 15.364 1.00 0.00 H new ATOM 0 HA VAL A 517 16.153 18.283 12.777 1.00 0.00 H new ATOM 0 HB VAL A 517 14.106 19.681 12.987 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.764 17.977 14.238 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.916 17.251 13.092 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.282 17.264 14.833 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.158 20.085 15.267 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.716 19.588 15.969 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.625 21.039 14.943 1.00 0.00 H new ATOM 729 N ARG A 518 16.258 20.681 11.736 1.00 0.00 N ATOM 730 CA ARG A 518 16.638 21.921 11.035 1.00 0.00 C ATOM 731 C ARG A 518 15.397 22.695 10.595 1.00 0.00 C ATOM 732 O ARG A 518 14.565 22.194 9.836 1.00 0.00 O ATOM 733 CB ARG A 518 17.571 21.573 9.865 1.00 0.00 C ATOM 734 CG ARG A 518 17.932 22.761 8.955 1.00 0.00 C ATOM 735 CD ARG A 518 19.308 22.583 8.297 1.00 0.00 C ATOM 736 NE ARG A 518 19.418 21.315 7.547 1.00 0.00 N ATOM 737 CZ ARG A 518 20.449 20.913 6.822 1.00 0.00 C ATOM 738 NH1 ARG A 518 21.526 21.636 6.679 1.00 0.00 N ATOM 739 NH2 ARG A 518 20.418 19.760 6.215 1.00 0.00 N ATOM 0 H ARG A 518 15.712 20.051 11.148 1.00 0.00 H new ATOM 0 HA ARG A 518 17.183 22.581 11.710 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.491 21.147 10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 518 17.099 20.799 9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.172 22.870 8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 518 17.926 23.681 9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 518 19.495 23.418 7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 518 20.081 22.615 9.065 1.00 0.00 H new ATOM 0 HE ARG A 518 18.617 20.685 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 518 21.594 22.546 7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 518 22.300 21.291 6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 518 19.596 19.162 6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 518 21.216 19.456 5.657 1.00 0.00 H new ATOM 753 N ASP A 519 15.275 23.909 11.116 1.00 0.00 N ATOM 754 CA ASP A 519 14.246 24.900 10.786 1.00 0.00 C ATOM 755 C ASP A 519 14.473 25.557 9.402 1.00 0.00 C ATOM 756 O ASP A 519 15.592 25.527 8.873 1.00 0.00 O ATOM 757 CB ASP A 519 14.265 25.969 11.891 1.00 0.00 C ATOM 758 CG ASP A 519 15.676 26.533 12.076 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.436 25.914 12.852 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.017 27.549 11.424 1.00 0.00 O ATOM 0 H ASP A 519 15.927 24.253 11.821 1.00 0.00 H new ATOM 0 HA ASP A 519 13.278 24.401 10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.577 26.775 11.636 1.00 0.00 H new ATOM 0 HB3 ASP A 519 13.915 25.536 12.828 1.00 0.00 H new ATOM 765 N PRO A 520 13.441 26.197 8.813 1.00 0.00 N ATOM 766 CA PRO A 520 13.537 26.840 7.499 1.00 0.00 C ATOM 767 C PRO A 520 14.417 28.106 7.445 1.00 0.00 C ATOM 768 O PRO A 520 14.743 28.563 6.345 1.00 0.00 O ATOM 769 CB PRO A 520 12.091 27.147 7.094 1.00 0.00 C ATOM 770 CG PRO A 520 11.353 27.268 8.424 1.00 0.00 C ATOM 771 CD PRO A 520 12.060 26.226 9.284 1.00 0.00 C ATOM 0 HA PRO A 520 14.044 26.166 6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.026 28.069 6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.672 26.353 6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.438 28.269 8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.289 27.055 8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.012 26.492 10.340 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.590 25.248 9.180 1.00 0.00 H new ATOM 779 N ALA A 521 14.821 28.676 8.587 1.00 0.00 N ATOM 780 CA ALA A 521 15.733 29.828 8.636 1.00 0.00 C ATOM 781 C ALA A 521 17.219 29.424 8.502 1.00 0.00 C ATOM 782 O ALA A 521 18.062 30.269 8.180 1.00 0.00 O ATOM 783 CB ALA A 521 15.479 30.620 9.926 1.00 0.00 C ATOM 0 H ALA A 521 14.524 28.351 9.507 1.00 0.00 H new ATOM 0 HA ALA A 521 15.523 30.461 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.153 31.475 9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 521 14.447 30.970 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 521 15.656 29.977 10.788 1.00 0.00 H new ATOM 789 N GLY A 522 17.543 28.143 8.718 1.00 0.00 N ATOM 790 CA GLY A 522 18.870 27.554 8.506 1.00 0.00 C ATOM 791 C GLY A 522 19.643 27.218 9.789 1.00 0.00 C ATOM 792 O GLY A 522 20.809 26.822 9.699 1.00 0.00 O ATOM 0 H GLY A 522 16.862 27.464 9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.757 26.643 7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.467 28.245 7.911 1.00 0.00 H new ATOM 796 N GLN A 523 19.039 27.385 10.972 1.00 0.00 N ATOM 797 CA GLN A 523 19.638 26.984 12.250 1.00 0.00 C ATOM 798 C GLN A 523 19.440 25.468 12.508 1.00 0.00 C ATOM 799 O GLN A 523 18.926 24.728 11.662 1.00 0.00 O ATOM 800 CB GLN A 523 19.055 27.862 13.379 1.00 0.00 C ATOM 801 CG GLN A 523 19.295 29.371 13.192 1.00 0.00 C ATOM 802 CD GLN A 523 20.691 29.830 13.619 1.00 0.00 C ATOM 803 OE1 GLN A 523 21.201 29.493 14.683 1.00 0.00 O ATOM 804 NE2 GLN A 523 21.370 30.628 12.820 1.00 0.00 N ATOM 0 H GLN A 523 18.115 27.805 11.069 1.00 0.00 H new ATOM 0 HA GLN A 523 20.716 27.144 12.219 1.00 0.00 H new ATOM 0 HB2 GLN A 523 17.982 27.682 13.447 1.00 0.00 H new ATOM 0 HB3 GLN A 523 19.491 27.551 14.328 1.00 0.00 H new ATOM 0 HG2 GLN A 523 19.143 29.627 12.143 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.550 29.922 13.766 1.00 0.00 H new ATOM 0 HE21 GLN A 523 20.967 30.922 11.930 1.00 0.00 H new ATOM 0 HE22 GLN A 523 22.298 30.952 13.091 1.00 0.00 H new ATOM 813 N GLU A 524 19.874 24.988 13.675 1.00 0.00 N ATOM 814 CA GLU A 524 19.594 23.640 14.192 1.00 0.00 C ATOM 815 C GLU A 524 19.409 23.688 15.719 1.00 0.00 C ATOM 816 O GLU A 524 19.924 24.589 16.394 1.00 0.00 O ATOM 817 CB GLU A 524 20.749 22.669 13.874 1.00 0.00 C ATOM 818 CG GLU A 524 20.869 22.256 12.399 1.00 0.00 C ATOM 819 CD GLU A 524 22.080 21.334 12.131 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.553 20.619 13.049 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.583 21.326 10.980 1.00 0.00 O ATOM 0 H GLU A 524 20.449 25.542 14.310 1.00 0.00 H new ATOM 0 HA GLU A 524 18.683 23.286 13.709 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.687 23.131 14.183 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.623 21.770 14.477 1.00 0.00 H new ATOM 0 HG2 GLU A 524 19.955 21.746 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 524 20.956 23.150 11.782 1.00 0.00 H new ATOM 828 N GLY A 525 18.729 22.688 16.283 1.00 0.00 N ATOM 829 CA GLY A 525 18.682 22.484 17.732 1.00 0.00 C ATOM 830 C GLY A 525 17.965 21.207 18.165 1.00 0.00 C ATOM 831 O GLY A 525 17.243 20.575 17.387 1.00 0.00 O ATOM 0 H GLY A 525 18.197 21.999 15.751 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.701 22.463 18.117 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.186 23.339 18.191 1.00 0.00 H new ATOM 835 N TYR A 526 18.177 20.840 19.427 1.00 0.00 N ATOM 836 CA TYR A 526 17.509 19.716 20.083 1.00 0.00 C ATOM 837 C TYR A 526 16.124 20.105 20.633 1.00 0.00 C ATOM 838 O TYR A 526 15.942 21.203 21.167 1.00 0.00 O ATOM 839 CB TYR A 526 18.410 19.196 21.210 1.00 0.00 C ATOM 840 CG TYR A 526 19.682 18.530 20.716 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.607 17.267 20.097 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.933 19.163 20.864 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.774 16.627 19.639 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.103 18.533 20.397 1.00 0.00 C ATOM 845 CZ TYR A 526 22.028 17.261 19.788 1.00 0.00 C ATOM 846 OH TYR A 526 23.163 16.655 19.347 1.00 0.00 O ATOM 0 H TYR A 526 18.834 21.327 20.037 1.00 0.00 H new ATOM 0 HA TYR A 526 17.343 18.933 19.344 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.676 20.027 21.864 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.848 18.483 21.813 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.648 16.786 19.973 1.00 0.00 H new ATOM 0 HD2 TYR A 526 20.994 20.132 21.336 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.711 15.654 19.175 1.00 0.00 H new ATOM 0 HE2 TYR A 526 23.059 19.024 20.505 1.00 0.00 H new ATOM 0 HH TYR A 526 23.934 17.232 19.529 1.00 0.00 H new ATOM 856 N VAL A 527 15.169 19.172 20.549 1.00 0.00 N ATOM 857 CA VAL A 527 13.797 19.268 21.096 1.00 0.00 C ATOM 858 C VAL A 527 13.261 17.875 21.473 1.00 0.00 C ATOM 859 O VAL A 527 13.666 16.886 20.856 1.00 0.00 O ATOM 860 CB VAL A 527 12.801 19.907 20.097 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.832 21.435 20.155 1.00 0.00 C ATOM 862 CG2 VAL A 527 13.006 19.463 18.643 1.00 0.00 C ATOM 0 H VAL A 527 15.333 18.283 20.076 1.00 0.00 H new ATOM 0 HA VAL A 527 13.871 19.906 21.977 1.00 0.00 H new ATOM 0 HB VAL A 527 11.826 19.544 20.421 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.118 21.841 19.438 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.566 21.766 21.159 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.834 21.788 19.909 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.270 19.954 18.006 1.00 0.00 H new ATOM 0 HG22 VAL A 527 14.009 19.737 18.317 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.884 18.382 18.572 1.00 0.00 H new ATOM 872 N PRO A 528 12.340 17.756 22.451 1.00 0.00 N ATOM 873 CA PRO A 528 11.744 16.470 22.810 1.00 0.00 C ATOM 874 C PRO A 528 10.835 15.948 21.685 1.00 0.00 C ATOM 875 O PRO A 528 9.997 16.681 21.159 1.00 0.00 O ATOM 876 CB PRO A 528 10.963 16.732 24.104 1.00 0.00 C ATOM 877 CG PRO A 528 10.605 18.217 24.027 1.00 0.00 C ATOM 878 CD PRO A 528 11.782 18.828 23.268 1.00 0.00 C ATOM 0 HA PRO A 528 12.498 15.696 22.955 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.071 16.109 24.164 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.566 16.512 24.985 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.663 18.376 23.502 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.496 18.656 25.019 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.454 19.661 22.646 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.529 19.220 23.958 1.00 0.00 H new ATOM 886 N TYR A 529 10.951 14.665 21.333 1.00 0.00 N ATOM 887 CA TYR A 529 10.110 14.040 20.299 1.00 0.00 C ATOM 888 C TYR A 529 8.607 14.009 20.643 1.00 0.00 C ATOM 889 O TYR A 529 7.775 13.915 19.742 1.00 0.00 O ATOM 890 CB TYR A 529 10.626 12.630 19.974 1.00 0.00 C ATOM 891 CG TYR A 529 10.144 11.517 20.892 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.649 11.402 22.203 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.189 10.588 20.431 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.227 10.352 23.041 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.757 9.540 21.267 1.00 0.00 C ATOM 896 CZ TYR A 529 9.282 9.414 22.572 1.00 0.00 C ATOM 897 OH TYR A 529 8.876 8.389 23.369 1.00 0.00 O ATOM 0 H TYR A 529 11.628 14.028 21.753 1.00 0.00 H new ATOM 0 HA TYR A 529 10.193 14.675 19.417 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.334 12.384 18.953 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.716 12.648 19.999 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.365 12.124 22.567 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.787 10.680 19.433 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.626 10.264 24.041 1.00 0.00 H new ATOM 0 HE2 TYR A 529 8.024 8.832 20.910 1.00 0.00 H new ATOM 0 HH TYR A 529 8.222 7.840 22.888 1.00 0.00 H new ATOM 907 N ASN A 530 8.246 14.112 21.930 1.00 0.00 N ATOM 908 CA ASN A 530 6.868 14.001 22.425 1.00 0.00 C ATOM 909 C ASN A 530 5.904 15.083 21.880 1.00 0.00 C ATOM 910 O ASN A 530 4.716 14.806 21.694 1.00 0.00 O ATOM 911 CB ASN A 530 6.931 14.019 23.962 1.00 0.00 C ATOM 912 CG ASN A 530 5.585 13.717 24.604 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.858 14.604 25.033 1.00 0.00 O ATOM 914 ND2 ASN A 530 5.214 12.459 24.696 1.00 0.00 N ATOM 0 H ASN A 530 8.923 14.279 22.674 1.00 0.00 H new ATOM 0 HA ASN A 530 6.444 13.067 22.057 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.664 13.287 24.301 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.278 14.996 24.297 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.320 12.221 25.125 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.820 11.721 24.338 1.00 0.00 H new ATOM 921 N ILE A 531 6.406 16.294 21.594 1.00 0.00 N ATOM 922 CA ILE A 531 5.624 17.400 20.994 1.00 0.00 C ATOM 923 C ILE A 531 5.631 17.389 19.456 1.00 0.00 C ATOM 924 O ILE A 531 4.867 18.128 18.829 1.00 0.00 O ATOM 925 CB ILE A 531 6.107 18.776 21.508 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.573 19.052 21.103 1.00 0.00 C ATOM 927 CG2 ILE A 531 5.897 18.871 23.031 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.069 20.453 21.453 1.00 0.00 C ATOM 0 H ILE A 531 7.379 16.542 21.773 1.00 0.00 H new ATOM 0 HA ILE A 531 4.595 17.234 21.314 1.00 0.00 H new ATOM 0 HB ILE A 531 5.508 19.555 21.035 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.216 18.319 21.590 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.675 18.901 20.028 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.240 19.843 23.386 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.838 18.754 23.260 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.465 18.083 23.526 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.106 20.562 21.135 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.453 21.195 20.944 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.003 20.604 22.530 1.00 0.00 H new ATOM 940 N LEU A 532 6.488 16.567 18.846 1.00 0.00 N ATOM 941 CA LEU A 532 6.586 16.375 17.399 1.00 0.00 C ATOM 942 C LEU A 532 5.673 15.216 16.964 1.00 0.00 C ATOM 943 O LEU A 532 5.373 14.307 17.745 1.00 0.00 O ATOM 944 CB LEU A 532 8.051 16.087 16.999 1.00 0.00 C ATOM 945 CG LEU A 532 9.108 17.067 17.549 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.504 16.651 17.084 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.865 18.507 17.099 1.00 0.00 C ATOM 0 H LEU A 532 7.156 15.997 19.365 1.00 0.00 H new ATOM 0 HA LEU A 532 6.262 17.286 16.895 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.307 15.082 17.334 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.116 16.087 15.911 1.00 0.00 H new ATOM 0 HG LEU A 532 9.030 17.027 18.635 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.242 17.350 17.478 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.724 15.647 17.447 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.542 16.659 15.995 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.638 19.153 17.515 1.00 0.00 H new ATOM 0 HD22 LEU A 532 8.896 18.558 16.011 1.00 0.00 H new ATOM 0 HD23 LEU A 532 7.888 18.838 17.450 1.00 0.00 H new ATOM 959 N THR A 533 5.265 15.218 15.698 1.00 0.00 N ATOM 960 CA THR A 533 4.469 14.144 15.084 1.00 0.00 C ATOM 961 C THR A 533 4.900 13.897 13.634 1.00 0.00 C ATOM 962 O THR A 533 5.481 14.794 13.010 1.00 0.00 O ATOM 963 CB THR A 533 2.953 14.439 15.158 1.00 0.00 C ATOM 964 OG1 THR A 533 2.615 15.777 14.847 1.00 0.00 O ATOM 965 CG2 THR A 533 2.384 14.144 16.549 1.00 0.00 C ATOM 0 H THR A 533 5.479 15.978 15.052 1.00 0.00 H new ATOM 0 HA THR A 533 4.658 13.237 15.658 1.00 0.00 H new ATOM 0 HB THR A 533 2.519 13.779 14.407 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.390 16.226 14.448 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.317 14.364 16.560 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.540 13.093 16.791 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.890 14.765 17.288 1.00 0.00 H new ATOM 973 N PRO A 534 4.641 12.698 13.071 1.00 0.00 N ATOM 974 CA PRO A 534 4.949 12.410 11.671 1.00 0.00 C ATOM 975 C PRO A 534 4.180 13.334 10.714 1.00 0.00 C ATOM 976 O PRO A 534 3.207 13.993 11.093 1.00 0.00 O ATOM 977 CB PRO A 534 4.597 10.929 11.466 1.00 0.00 C ATOM 978 CG PRO A 534 3.552 10.649 12.543 1.00 0.00 C ATOM 979 CD PRO A 534 4.012 11.538 13.696 1.00 0.00 C ATOM 0 HA PRO A 534 5.999 12.595 11.446 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.200 10.747 10.467 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.472 10.290 11.583 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.547 10.907 12.209 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.534 9.596 12.826 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.170 11.837 14.320 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.715 11.011 14.341 1.00 0.00 H new ATOM 987 N TYR A 535 4.591 13.332 9.445 1.00 0.00 N ATOM 988 CA TYR A 535 3.956 14.094 8.365 1.00 0.00 C ATOM 989 C TYR A 535 3.389 13.116 7.308 1.00 0.00 C ATOM 990 O TYR A 535 4.010 12.896 6.263 1.00 0.00 O ATOM 991 CB TYR A 535 4.938 15.161 7.838 1.00 0.00 C ATOM 992 CG TYR A 535 4.290 16.361 7.155 1.00 0.00 C ATOM 993 CD1 TYR A 535 3.388 16.193 6.083 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.582 17.663 7.613 1.00 0.00 C ATOM 995 CE1 TYR A 535 2.752 17.308 5.501 1.00 0.00 C ATOM 996 CE2 TYR A 535 3.949 18.781 7.035 1.00 0.00 C ATOM 997 CZ TYR A 535 3.026 18.607 5.983 1.00 0.00 C ATOM 998 OH TYR A 535 2.406 19.688 5.438 1.00 0.00 O ATOM 0 H TYR A 535 5.394 12.788 9.131 1.00 0.00 H new ATOM 0 HA TYR A 535 3.093 14.659 8.718 1.00 0.00 H new ATOM 0 HB2 TYR A 535 5.541 15.520 8.672 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.620 14.687 7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 535 3.183 15.202 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.295 17.804 8.412 1.00 0.00 H new ATOM 0 HE1 TYR A 535 2.056 17.169 4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 535 4.171 19.774 7.398 1.00 0.00 H new ATOM 0 HH TYR A 535 2.711 20.502 5.890 1.00 0.00 H new ATOM 1008 N PRO A 536 2.226 12.480 7.580 1.00 0.00 N ATOM 1009 CA PRO A 536 1.570 11.539 6.664 1.00 0.00 C ATOM 1010 C PRO A 536 0.840 12.227 5.491 1.00 0.00 C ATOM 1011 O PRO A 536 0.371 11.543 4.578 1.00 0.00 O ATOM 1012 CB PRO A 536 0.587 10.758 7.545 1.00 0.00 C ATOM 1013 CG PRO A 536 0.168 11.786 8.591 1.00 0.00 C ATOM 1014 CD PRO A 536 1.453 12.578 8.815 1.00 0.00 C ATOM 0 HA PRO A 536 2.308 10.900 6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 536 -0.266 10.395 6.972 1.00 0.00 H new ATOM 0 HB3 PRO A 536 1.059 9.888 8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 536 -0.642 12.421 8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 536 -0.181 11.312 9.508 1.00 0.00 H new ATOM 0 HD2 PRO A 536 1.230 13.619 9.051 1.00 0.00 H new ATOM 0 HD3 PRO A 536 2.015 12.174 9.657 1.00 0.00 H new ATOM 1022 N ALA A 537 0.736 13.566 5.511 1.00 0.00 N ATOM 1023 CA ALA A 537 0.040 14.404 4.523 1.00 0.00 C ATOM 1024 C ALA A 537 -1.456 14.050 4.318 1.00 0.00 C ATOM 1025 O ALA A 537 -2.027 14.299 3.250 1.00 0.00 O ATOM 1026 CB ALA A 537 0.875 14.452 3.232 1.00 0.00 C ATOM 0 H ALA A 537 1.157 14.121 6.256 1.00 0.00 H new ATOM 0 HA ALA A 537 -0.028 15.417 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 537 0.367 15.071 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 537 1.856 14.876 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 537 0.995 13.443 2.839 1.00 0.00 H new ATOM 1032 N ALA A 538 -2.095 13.480 5.347 1.00 0.00 N ATOM 1033 CA ALA A 538 -3.515 13.119 5.381 1.00 0.00 C ATOM 1034 C ALA A 538 -4.094 13.231 6.809 1.00 0.00 C ATOM 1035 O ALA A 538 -3.378 13.046 7.801 1.00 0.00 O ATOM 1036 CB ALA A 538 -3.664 11.691 4.836 1.00 0.00 C ATOM 0 H ALA A 538 -1.614 13.248 6.216 1.00 0.00 H new ATOM 0 HA ALA A 538 -4.080 13.814 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -4.715 11.403 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -3.294 11.652 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -3.089 11.003 5.456 1.00 0.00 H new ATOM 1042 N ALA A 539 -5.395 13.517 6.907 1.00 0.00 N ATOM 1043 CA ALA A 539 -6.149 13.681 8.157 1.00 0.00 C ATOM 1044 C ALA A 539 -7.647 13.331 7.973 1.00 0.00 C ATOM 1045 O ALA A 539 -8.073 12.918 6.884 1.00 0.00 O ATOM 1046 CB ALA A 539 -5.948 15.126 8.649 1.00 0.00 C ATOM 0 H ALA A 539 -5.980 13.647 6.081 1.00 0.00 H new ATOM 0 HA ALA A 539 -5.775 12.986 8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 539 -6.499 15.274 9.578 1.00 0.00 H new ATOM 0 HB2 ALA A 539 -4.887 15.307 8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 539 -6.315 15.822 7.895 1.00 0.00 H new ATOM 1052 N SER A 540 -8.453 13.497 9.032 1.00 0.00 N ATOM 1053 CA SER A 540 -9.897 13.187 9.082 1.00 0.00 C ATOM 1054 C SER A 540 -10.684 14.269 9.832 1.00 0.00 C ATOM 1055 O SER A 540 -11.617 14.849 9.228 1.00 0.00 O ATOM 1056 CB SER A 540 -10.095 11.812 9.729 1.00 0.00 C ATOM 1057 OG SER A 540 -11.426 11.372 9.520 1.00 0.00 O ATOM 0 H SER A 540 -8.105 13.867 9.917 1.00 0.00 H new ATOM 0 HA SER A 540 -10.286 13.166 8.064 1.00 0.00 H new ATOM 0 HB2 SER A 540 -9.394 11.095 9.303 1.00 0.00 H new ATOM 0 HB3 SER A 540 -9.884 11.868 10.797 1.00 0.00 H new ATOM 0 HG SER A 540 -11.548 10.492 9.933 1.00 0.00 H new TER 1063 SER A 540