USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 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 180:sc= 0 USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 CYS SG : rot -100:sc= 0.204 USER MOD Single : A 486 ASN : amide:sc= -0.4 X(o=-0.4,f=0.085) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 493 ASN : amide:sc= 0.322 K(o=0.32,f=-2.2!) 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 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.05) 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+ 177:sc= 1.24 (180deg=1.19) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=-0.1) 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 36:sc= 1.19 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 SER OG : rot 180:sc= 0.00164 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 473 2.338 11.183 -15.788 1.00 0.00 N ATOM 2 CA GLY A 473 3.695 11.713 -16.064 1.00 0.00 C ATOM 3 C GLY A 473 4.787 10.882 -15.395 1.00 0.00 C ATOM 4 O GLY A 473 4.516 9.771 -14.923 1.00 0.00 O ATOM 0 HA2 GLY A 473 3.864 11.732 -17.141 1.00 0.00 H new ATOM 0 HA3 GLY A 473 3.759 12.743 -15.713 1.00 0.00 H new ATOM 8 N PRO A 474 6.037 11.389 -15.355 1.00 0.00 N ATOM 9 CA PRO A 474 7.178 10.700 -14.745 1.00 0.00 C ATOM 10 C PRO A 474 7.093 10.631 -13.208 1.00 0.00 C ATOM 11 O PRO A 474 6.317 11.345 -12.565 1.00 0.00 O ATOM 12 CB PRO A 474 8.414 11.479 -15.216 1.00 0.00 C ATOM 13 CG PRO A 474 7.884 12.898 -15.416 1.00 0.00 C ATOM 14 CD PRO A 474 6.460 12.666 -15.918 1.00 0.00 C ATOM 0 HA PRO A 474 7.210 9.655 -15.053 1.00 0.00 H new ATOM 0 HB2 PRO A 474 9.214 11.449 -14.476 1.00 0.00 H new ATOM 0 HB3 PRO A 474 8.820 11.068 -16.140 1.00 0.00 H new ATOM 0 HG2 PRO A 474 7.896 13.468 -14.487 1.00 0.00 H new ATOM 0 HG3 PRO A 474 8.481 13.454 -16.139 1.00 0.00 H new ATOM 0 HD2 PRO A 474 5.798 13.471 -15.599 1.00 0.00 H new ATOM 0 HD3 PRO A 474 6.430 12.641 -17.007 1.00 0.00 H new ATOM 22 N LEU A 475 7.923 9.763 -12.620 1.00 0.00 N ATOM 23 CA LEU A 475 8.007 9.474 -11.179 1.00 0.00 C ATOM 24 C LEU A 475 9.424 9.028 -10.746 1.00 0.00 C ATOM 25 O LEU A 475 10.289 8.760 -11.587 1.00 0.00 O ATOM 26 CB LEU A 475 6.894 8.479 -10.768 1.00 0.00 C ATOM 27 CG LEU A 475 6.628 7.285 -11.703 1.00 0.00 C ATOM 28 CD1 LEU A 475 7.891 6.479 -11.998 1.00 0.00 C ATOM 29 CD2 LEU A 475 5.600 6.359 -11.054 1.00 0.00 C ATOM 0 H LEU A 475 8.590 9.213 -13.162 1.00 0.00 H new ATOM 0 HA LEU A 475 7.831 10.400 -10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 475 7.142 8.086 -9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 475 5.964 9.038 -10.664 1.00 0.00 H new ATOM 0 HG LEU A 475 6.260 7.688 -12.647 1.00 0.00 H new ATOM 0 HD11 LEU A 475 7.647 5.649 -12.661 1.00 0.00 H new ATOM 0 HD12 LEU A 475 8.629 7.122 -12.478 1.00 0.00 H new ATOM 0 HD13 LEU A 475 8.300 6.090 -11.066 1.00 0.00 H new ATOM 0 HD21 LEU A 475 5.407 5.511 -11.712 1.00 0.00 H new ATOM 0 HD22 LEU A 475 5.986 5.998 -10.101 1.00 0.00 H new ATOM 0 HD23 LEU A 475 4.672 6.906 -10.886 1.00 0.00 H new ATOM 41 N GLY A 476 9.662 8.951 -9.430 1.00 0.00 N ATOM 42 CA GLY A 476 10.929 8.495 -8.841 1.00 0.00 C ATOM 43 C GLY A 476 12.015 9.579 -8.814 1.00 0.00 C ATOM 44 O GLY A 476 12.822 9.679 -9.745 1.00 0.00 O ATOM 0 H GLY A 476 8.966 9.209 -8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 476 10.745 8.151 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 476 11.296 7.638 -9.406 1.00 0.00 H new ATOM 48 N SER A 477 12.041 10.390 -7.749 1.00 0.00 N ATOM 49 CA SER A 477 12.970 11.528 -7.577 1.00 0.00 C ATOM 50 C SER A 477 13.872 11.407 -6.340 1.00 0.00 C ATOM 51 O SER A 477 15.076 11.671 -6.424 1.00 0.00 O ATOM 52 CB SER A 477 12.170 12.839 -7.516 1.00 0.00 C ATOM 53 OG SER A 477 11.193 12.801 -6.482 1.00 0.00 O ATOM 0 H SER A 477 11.404 10.275 -6.961 1.00 0.00 H new ATOM 0 HA SER A 477 13.635 11.522 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 477 12.849 13.674 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 477 11.682 13.014 -8.475 1.00 0.00 H new ATOM 0 HG SER A 477 10.701 13.648 -6.466 1.00 0.00 H new ATOM 59 N GLY A 478 13.321 10.968 -5.204 1.00 0.00 N ATOM 60 CA GLY A 478 14.034 10.788 -3.934 1.00 0.00 C ATOM 61 C GLY A 478 13.089 10.562 -2.748 1.00 0.00 C ATOM 62 O GLY A 478 11.869 10.437 -2.916 1.00 0.00 O ATOM 0 H GLY A 478 12.334 10.720 -5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 478 14.711 9.938 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 478 14.649 11.667 -3.740 1.00 0.00 H new ATOM 66 N ALA A 479 13.658 10.538 -1.541 1.00 0.00 N ATOM 67 CA ALA A 479 12.931 10.422 -0.274 1.00 0.00 C ATOM 68 C ALA A 479 13.448 11.433 0.766 1.00 0.00 C ATOM 69 O ALA A 479 14.605 11.870 0.726 1.00 0.00 O ATOM 70 CB ALA A 479 13.037 8.975 0.230 1.00 0.00 C ATOM 0 H ALA A 479 14.668 10.601 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 479 11.880 10.663 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 479 12.499 8.878 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 479 12.602 8.300 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 479 14.085 8.719 0.382 1.00 0.00 H new ATOM 76 N LEU A 480 12.569 11.799 1.702 1.00 0.00 N ATOM 77 CA LEU A 480 12.793 12.812 2.738 1.00 0.00 C ATOM 78 C LEU A 480 12.074 12.425 4.046 1.00 0.00 C ATOM 79 O LEU A 480 11.039 11.750 4.023 1.00 0.00 O ATOM 80 CB LEU A 480 12.359 14.213 2.232 1.00 0.00 C ATOM 81 CG LEU A 480 10.990 14.309 1.508 1.00 0.00 C ATOM 82 CD1 LEU A 480 10.286 15.638 1.805 1.00 0.00 C ATOM 83 CD2 LEU A 480 11.145 14.241 -0.017 1.00 0.00 C ATOM 0 H LEU A 480 11.641 11.380 1.762 1.00 0.00 H new ATOM 0 HA LEU A 480 13.860 12.858 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 480 12.338 14.890 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 480 13.128 14.581 1.552 1.00 0.00 H new ATOM 0 HG LEU A 480 10.408 13.465 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 480 9.331 15.669 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 480 10.114 15.727 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 480 10.912 16.464 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 480 10.164 14.312 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 480 11.770 15.067 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 480 11.612 13.296 -0.293 1.00 0.00 H new ATOM 95 N LYS A 481 12.614 12.888 5.182 1.00 0.00 N ATOM 96 CA LYS A 481 12.105 12.625 6.541 1.00 0.00 C ATOM 97 C LYS A 481 11.915 13.937 7.303 1.00 0.00 C ATOM 98 O LYS A 481 12.875 14.650 7.597 1.00 0.00 O ATOM 99 CB LYS A 481 13.051 11.672 7.299 1.00 0.00 C ATOM 100 CG LYS A 481 12.881 10.206 6.868 1.00 0.00 C ATOM 101 CD LYS A 481 13.759 9.278 7.723 1.00 0.00 C ATOM 102 CE LYS A 481 13.386 7.796 7.570 1.00 0.00 C ATOM 103 NZ LYS A 481 13.717 7.252 6.225 1.00 0.00 N ATOM 0 H LYS A 481 13.447 13.477 5.183 1.00 0.00 H new ATOM 0 HA LYS A 481 11.133 12.138 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 481 14.083 11.980 7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 481 12.865 11.756 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 481 11.835 9.914 6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 481 13.147 10.099 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 481 14.804 9.415 7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 481 13.669 9.564 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 481 13.908 7.215 8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 481 12.318 7.674 7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 13.444 6.250 6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 13.199 7.786 5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 14.740 7.340 6.057 1.00 0.00 H new ATOM 117 N TRP A 482 10.656 14.247 7.609 1.00 0.00 N ATOM 118 CA TRP A 482 10.209 15.472 8.281 1.00 0.00 C ATOM 119 C TRP A 482 9.165 15.140 9.355 1.00 0.00 C ATOM 120 O TRP A 482 8.558 14.064 9.360 1.00 0.00 O ATOM 121 CB TRP A 482 9.630 16.468 7.255 1.00 0.00 C ATOM 122 CG TRP A 482 10.579 17.028 6.233 1.00 0.00 C ATOM 123 CD1 TRP A 482 11.135 16.320 5.225 1.00 0.00 C ATOM 124 CD2 TRP A 482 11.036 18.409 6.035 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.929 17.142 4.450 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.870 18.446 4.876 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.820 19.642 6.688 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.435 19.628 4.378 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.372 20.842 6.195 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.175 20.838 5.040 1.00 0.00 C ATOM 0 H TRP A 482 9.881 13.623 7.386 1.00 0.00 H new ATOM 0 HA TRP A 482 11.068 15.936 8.765 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.816 15.973 6.725 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.193 17.302 7.803 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.981 15.265 5.051 1.00 0.00 H new ATOM 0 HE1 TRP A 482 12.489 16.821 3.660 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.219 19.666 7.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 13.061 19.608 3.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.177 21.772 6.708 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.590 21.762 4.664 1.00 0.00 H new ATOM 141 N VAL A 483 8.947 16.092 10.258 1.00 0.00 N ATOM 142 CA VAL A 483 8.066 15.989 11.421 1.00 0.00 C ATOM 143 C VAL A 483 7.252 17.278 11.556 1.00 0.00 C ATOM 144 O VAL A 483 7.772 18.331 11.929 1.00 0.00 O ATOM 145 CB VAL A 483 8.854 15.687 12.719 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.218 14.200 12.813 1.00 0.00 C ATOM 147 CG2 VAL A 483 10.167 16.474 12.879 1.00 0.00 C ATOM 0 H VAL A 483 9.402 17.003 10.197 1.00 0.00 H new ATOM 0 HA VAL A 483 7.388 15.149 11.267 1.00 0.00 H new ATOM 0 HB VAL A 483 8.171 15.996 13.510 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.771 14.018 13.735 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.307 13.602 12.812 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.835 13.922 11.959 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.647 16.195 13.817 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.833 16.243 12.048 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.952 17.543 12.885 1.00 0.00 H new ATOM 157 N LEU A 484 5.956 17.220 11.230 1.00 0.00 N ATOM 158 CA LEU A 484 5.049 18.320 11.553 1.00 0.00 C ATOM 159 C LEU A 484 4.929 18.418 13.081 1.00 0.00 C ATOM 160 O LEU A 484 4.570 17.444 13.752 1.00 0.00 O ATOM 161 CB LEU A 484 3.674 18.111 10.891 1.00 0.00 C ATOM 162 CG LEU A 484 2.790 19.375 10.972 1.00 0.00 C ATOM 163 CD1 LEU A 484 3.249 20.453 9.983 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.335 19.026 10.660 1.00 0.00 C ATOM 0 H LEU A 484 5.519 16.434 10.749 1.00 0.00 H new ATOM 0 HA LEU A 484 5.447 19.256 11.162 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.814 17.834 9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.162 17.280 11.375 1.00 0.00 H new ATOM 0 HG LEU A 484 2.880 19.762 11.987 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.602 21.326 10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 484 4.277 20.739 10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 484 3.195 20.062 8.967 1.00 0.00 H new ATOM 0 HD21 LEU A 484 0.724 19.926 10.721 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.268 18.609 9.655 1.00 0.00 H new ATOM 0 HD23 LEU A 484 0.974 18.293 11.381 1.00 0.00 H new ATOM 176 N CYS A 485 5.241 19.587 13.639 1.00 0.00 N ATOM 177 CA CYS A 485 5.063 19.832 15.067 1.00 0.00 C ATOM 178 C CYS A 485 3.574 19.715 15.481 1.00 0.00 C ATOM 179 O CYS A 485 2.670 19.914 14.665 1.00 0.00 O ATOM 180 CB CYS A 485 5.632 21.218 15.383 1.00 0.00 C ATOM 181 SG CYS A 485 6.152 21.263 17.116 1.00 0.00 S ATOM 0 H CYS A 485 5.619 20.380 13.121 1.00 0.00 H new ATOM 0 HA CYS A 485 5.596 19.076 15.643 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.478 21.435 14.731 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.880 21.985 15.196 1.00 0.00 H new ATOM 0 HG CYS A 485 5.237 21.851 17.828 1.00 0.00 H new ATOM 187 N ASN A 486 3.312 19.441 16.761 1.00 0.00 N ATOM 188 CA ASN A 486 1.957 19.313 17.320 1.00 0.00 C ATOM 189 C ASN A 486 1.661 20.382 18.395 1.00 0.00 C ATOM 190 O ASN A 486 0.500 20.732 18.617 1.00 0.00 O ATOM 191 CB ASN A 486 1.790 17.883 17.870 1.00 0.00 C ATOM 192 CG ASN A 486 0.364 17.350 17.803 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.624 18.070 17.737 1.00 0.00 O ATOM 194 ND2 ASN A 486 0.204 16.046 17.789 1.00 0.00 N ATOM 0 H ASN A 486 4.047 19.299 17.454 1.00 0.00 H new ATOM 0 HA ASN A 486 1.227 19.488 16.529 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.443 17.212 17.311 1.00 0.00 H new ATOM 0 HB3 ASN A 486 2.125 17.863 18.907 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.733 15.648 17.724 1.00 0.00 H new ATOM 0 HD22 ASN A 486 1.017 15.432 17.843 1.00 0.00 H new ATOM 201 N TYR A 487 2.708 20.947 19.014 1.00 0.00 N ATOM 202 CA TYR A 487 2.636 21.945 20.091 1.00 0.00 C ATOM 203 C TYR A 487 3.890 22.836 20.074 1.00 0.00 C ATOM 204 O TYR A 487 5.003 22.335 19.913 1.00 0.00 O ATOM 205 CB TYR A 487 2.540 21.227 21.452 1.00 0.00 C ATOM 206 CG TYR A 487 1.384 20.245 21.568 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.080 20.721 21.814 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.598 18.870 21.338 1.00 0.00 C ATOM 209 CE1 TYR A 487 -1.010 19.828 21.809 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.511 17.973 21.336 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.799 18.454 21.562 1.00 0.00 C ATOM 212 OH TYR A 487 -1.858 17.601 21.529 1.00 0.00 O ATOM 0 H TYR A 487 3.669 20.711 18.767 1.00 0.00 H new ATOM 0 HA TYR A 487 1.754 22.567 19.938 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.473 20.693 21.633 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.444 21.976 22.238 1.00 0.00 H new ATOM 0 HD1 TYR A 487 -0.084 21.771 22.006 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.599 18.503 21.163 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -2.009 20.195 21.994 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.678 16.920 21.162 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.540 16.692 21.346 1.00 0.00 H new ATOM 222 N ASP A 488 3.732 24.153 20.241 1.00 0.00 N ATOM 223 CA ASP A 488 4.875 25.070 20.371 1.00 0.00 C ATOM 224 C ASP A 488 5.736 24.774 21.620 1.00 0.00 C ATOM 225 O ASP A 488 5.250 24.238 22.624 1.00 0.00 O ATOM 226 CB ASP A 488 4.396 26.529 20.361 1.00 0.00 C ATOM 227 CG ASP A 488 3.777 26.969 21.699 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.579 26.685 21.941 1.00 0.00 O ATOM 229 OD2 ASP A 488 4.483 27.628 22.502 1.00 0.00 O ATOM 0 H ASP A 488 2.822 24.611 20.290 1.00 0.00 H new ATOM 0 HA ASP A 488 5.519 24.906 19.507 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.238 27.180 20.125 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.661 26.659 19.567 1.00 0.00 H new ATOM 234 N PHE A 489 7.016 25.155 21.568 1.00 0.00 N ATOM 235 CA PHE A 489 7.977 24.975 22.663 1.00 0.00 C ATOM 236 C PHE A 489 9.084 26.028 22.579 1.00 0.00 C ATOM 237 O PHE A 489 9.716 26.196 21.533 1.00 0.00 O ATOM 238 CB PHE A 489 8.565 23.560 22.579 1.00 0.00 C ATOM 239 CG PHE A 489 9.677 23.225 23.558 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.374 22.933 24.902 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.013 23.138 23.114 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.394 22.551 25.793 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.028 22.728 23.998 1.00 0.00 C ATOM 244 CZ PHE A 489 11.720 22.442 25.339 1.00 0.00 C ATOM 0 H PHE A 489 7.422 25.606 20.748 1.00 0.00 H new ATOM 0 HA PHE A 489 7.471 25.100 23.620 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.755 22.846 22.726 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.944 23.408 21.568 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.354 23.003 25.250 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.258 23.387 22.092 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.158 22.342 26.826 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.045 22.633 23.646 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.501 22.139 26.020 1.00 0.00 H new ATOM 254 N GLN A 490 9.317 26.734 23.687 1.00 0.00 N ATOM 255 CA GLN A 490 10.391 27.720 23.804 1.00 0.00 C ATOM 256 C GLN A 490 11.693 27.033 24.251 1.00 0.00 C ATOM 257 O GLN A 490 11.726 26.329 25.266 1.00 0.00 O ATOM 258 CB GLN A 490 9.968 28.811 24.799 1.00 0.00 C ATOM 259 CG GLN A 490 10.858 30.060 24.678 1.00 0.00 C ATOM 260 CD GLN A 490 10.712 31.015 25.864 1.00 0.00 C ATOM 261 OE1 GLN A 490 9.632 31.247 26.400 1.00 0.00 O ATOM 262 NE2 GLN A 490 11.796 31.601 26.330 1.00 0.00 N ATOM 0 H GLN A 490 8.760 26.636 24.536 1.00 0.00 H new ATOM 0 HA GLN A 490 10.575 28.183 22.835 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.928 29.085 24.620 1.00 0.00 H new ATOM 0 HB3 GLN A 490 10.024 28.420 25.815 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.900 29.750 24.594 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.608 30.590 23.759 1.00 0.00 H new ATOM 0 HE21 GLN A 490 12.701 31.419 25.896 1.00 0.00 H new ATOM 0 HE22 GLN A 490 11.730 32.237 27.125 1.00 0.00 H new ATOM 271 N ALA A 491 12.773 27.272 23.504 1.00 0.00 N ATOM 272 CA ALA A 491 14.103 26.716 23.756 1.00 0.00 C ATOM 273 C ALA A 491 15.181 27.682 23.224 1.00 0.00 C ATOM 274 O ALA A 491 15.166 28.033 22.042 1.00 0.00 O ATOM 275 CB ALA A 491 14.188 25.329 23.102 1.00 0.00 C ATOM 0 H ALA A 491 12.745 27.876 22.683 1.00 0.00 H new ATOM 0 HA ALA A 491 14.278 26.599 24.825 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.175 24.902 23.282 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.427 24.677 23.531 1.00 0.00 H new ATOM 0 HB3 ALA A 491 14.023 25.422 22.029 1.00 0.00 H new ATOM 281 N ARG A 492 16.101 28.118 24.097 1.00 0.00 N ATOM 282 CA ARG A 492 17.243 29.010 23.783 1.00 0.00 C ATOM 283 C ARG A 492 18.498 28.683 24.614 1.00 0.00 C ATOM 284 O ARG A 492 19.334 29.549 24.884 1.00 0.00 O ATOM 285 CB ARG A 492 16.818 30.495 23.912 1.00 0.00 C ATOM 286 CG ARG A 492 15.943 30.963 22.738 1.00 0.00 C ATOM 287 CD ARG A 492 15.992 32.489 22.568 1.00 0.00 C ATOM 288 NE ARG A 492 15.448 32.914 21.260 1.00 0.00 N ATOM 289 CZ ARG A 492 16.052 32.833 20.083 1.00 0.00 C ATOM 290 NH1 ARG A 492 17.245 32.323 19.936 1.00 0.00 N ATOM 291 NH2 ARG A 492 15.457 33.269 19.008 1.00 0.00 N ATOM 0 H ARG A 492 16.075 27.852 25.081 1.00 0.00 H new ATOM 0 HA ARG A 492 17.528 28.831 22.746 1.00 0.00 H new ATOM 0 HB2 ARG A 492 16.272 30.633 24.845 1.00 0.00 H new ATOM 0 HB3 ARG A 492 17.709 31.121 23.968 1.00 0.00 H new ATOM 0 HG2 ARG A 492 16.280 30.483 21.819 1.00 0.00 H new ATOM 0 HG3 ARG A 492 14.913 30.648 22.903 1.00 0.00 H new ATOM 0 HD2 ARG A 492 15.424 32.962 23.369 1.00 0.00 H new ATOM 0 HD3 ARG A 492 17.022 32.832 22.662 1.00 0.00 H new ATOM 0 HE ARG A 492 14.509 33.311 21.264 1.00 0.00 H new ATOM 0 HH11 ARG A 492 17.751 31.966 20.747 1.00 0.00 H new ATOM 0 HH12 ARG A 492 17.671 32.281 19.010 1.00 0.00 H new ATOM 0 HH21 ARG A 492 14.523 33.674 19.071 1.00 0.00 H new ATOM 0 HH22 ARG A 492 15.925 33.205 18.104 1.00 0.00 H new ATOM 305 N ASN A 493 18.612 27.429 25.061 1.00 0.00 N ATOM 306 CA ASN A 493 19.773 26.921 25.799 1.00 0.00 C ATOM 307 C ASN A 493 21.033 26.801 24.900 1.00 0.00 C ATOM 308 O ASN A 493 20.996 27.121 23.708 1.00 0.00 O ATOM 309 CB ASN A 493 19.374 25.586 26.465 1.00 0.00 C ATOM 310 CG ASN A 493 20.033 25.421 27.826 1.00 0.00 C ATOM 311 OD1 ASN A 493 21.181 25.010 27.939 1.00 0.00 O ATOM 312 ND2 ASN A 493 19.353 25.788 28.889 1.00 0.00 N ATOM 0 H ASN A 493 17.887 26.726 24.918 1.00 0.00 H new ATOM 0 HA ASN A 493 20.057 27.631 26.576 1.00 0.00 H new ATOM 0 HB2 ASN A 493 18.291 25.544 26.577 1.00 0.00 H new ATOM 0 HB3 ASN A 493 19.660 24.756 25.819 1.00 0.00 H new ATOM 0 HD21 ASN A 493 19.781 25.731 29.813 1.00 0.00 H new ATOM 0 HD22 ASN A 493 18.397 26.130 28.790 1.00 0.00 H new ATOM 319 N SER A 494 22.147 26.304 25.451 1.00 0.00 N ATOM 320 CA SER A 494 23.431 26.118 24.744 1.00 0.00 C ATOM 321 C SER A 494 23.329 25.278 23.449 1.00 0.00 C ATOM 322 O SER A 494 24.099 25.499 22.507 1.00 0.00 O ATOM 323 CB SER A 494 24.437 25.491 25.723 1.00 0.00 C ATOM 324 OG SER A 494 25.722 25.309 25.145 1.00 0.00 O ATOM 0 H SER A 494 22.187 26.011 26.427 1.00 0.00 H new ATOM 0 HA SER A 494 23.765 27.101 24.413 1.00 0.00 H new ATOM 0 HB2 SER A 494 24.526 26.127 26.604 1.00 0.00 H new ATOM 0 HB3 SER A 494 24.056 24.528 26.062 1.00 0.00 H new ATOM 0 HG SER A 494 26.325 24.910 25.807 1.00 0.00 H new ATOM 330 N SER A 495 22.362 24.354 23.372 1.00 0.00 N ATOM 331 CA SER A 495 22.153 23.431 22.237 1.00 0.00 C ATOM 332 C SER A 495 20.668 23.168 21.905 1.00 0.00 C ATOM 333 O SER A 495 20.329 22.185 21.240 1.00 0.00 O ATOM 334 CB SER A 495 22.929 22.130 22.502 1.00 0.00 C ATOM 335 OG SER A 495 22.537 21.526 23.729 1.00 0.00 O ATOM 0 H SER A 495 21.680 24.220 24.119 1.00 0.00 H new ATOM 0 HA SER A 495 22.543 23.915 21.341 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.760 21.432 21.682 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.998 22.342 22.525 1.00 0.00 H new ATOM 0 HG SER A 495 23.048 20.701 23.865 1.00 0.00 H new ATOM 341 N GLU A 496 19.764 24.057 22.331 1.00 0.00 N ATOM 342 CA GLU A 496 18.308 23.942 22.125 1.00 0.00 C ATOM 343 C GLU A 496 17.769 25.134 21.308 1.00 0.00 C ATOM 344 O GLU A 496 18.298 26.248 21.397 1.00 0.00 O ATOM 345 CB GLU A 496 17.588 23.877 23.482 1.00 0.00 C ATOM 346 CG GLU A 496 17.903 22.620 24.301 1.00 0.00 C ATOM 347 CD GLU A 496 17.322 22.683 25.730 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.186 23.178 25.928 1.00 0.00 O ATOM 349 OE2 GLU A 496 18.012 22.232 26.678 1.00 0.00 O ATOM 0 H GLU A 496 20.027 24.900 22.842 1.00 0.00 H new ATOM 0 HA GLU A 496 18.116 23.026 21.567 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.859 24.756 24.067 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.512 23.927 23.313 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.502 21.746 23.788 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.984 22.489 24.357 1.00 0.00 H new ATOM 356 N LEU A 497 16.701 24.907 20.529 1.00 0.00 N ATOM 357 CA LEU A 497 16.085 25.923 19.660 1.00 0.00 C ATOM 358 C LEU A 497 14.552 25.754 19.584 1.00 0.00 C ATOM 359 O LEU A 497 14.050 24.632 19.479 1.00 0.00 O ATOM 360 CB LEU A 497 16.771 25.826 18.284 1.00 0.00 C ATOM 361 CG LEU A 497 16.609 27.084 17.409 1.00 0.00 C ATOM 362 CD1 LEU A 497 17.851 27.264 16.544 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.382 27.015 16.508 1.00 0.00 C ATOM 0 H LEU A 497 16.234 24.001 20.484 1.00 0.00 H new ATOM 0 HA LEU A 497 16.235 26.923 20.068 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.834 25.635 18.433 1.00 0.00 H new ATOM 0 HB3 LEU A 497 16.365 24.969 17.747 1.00 0.00 H new ATOM 0 HG LEU A 497 16.478 27.931 18.082 1.00 0.00 H new ATOM 0 HD11 LEU A 497 17.737 28.154 15.925 1.00 0.00 H new ATOM 0 HD12 LEU A 497 18.727 27.377 17.183 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.979 26.391 15.904 1.00 0.00 H new ATOM 0 HD21 LEU A 497 15.316 27.926 15.913 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.466 26.154 15.845 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.486 26.915 17.121 1.00 0.00 H new ATOM 375 N SER A 498 13.815 26.868 19.679 1.00 0.00 N ATOM 376 CA SER A 498 12.339 26.895 19.729 1.00 0.00 C ATOM 377 C SER A 498 11.644 26.294 18.490 1.00 0.00 C ATOM 378 O SER A 498 12.212 26.237 17.395 1.00 0.00 O ATOM 379 CB SER A 498 11.827 28.327 19.965 1.00 0.00 C ATOM 380 OG SER A 498 12.019 29.174 18.840 1.00 0.00 O ATOM 0 H SER A 498 14.232 27.798 19.725 1.00 0.00 H new ATOM 0 HA SER A 498 12.074 26.253 20.569 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.766 28.292 20.211 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.340 28.754 20.827 1.00 0.00 H new ATOM 0 HG SER A 498 11.676 30.069 19.042 1.00 0.00 H new ATOM 386 N VAL A 499 10.372 25.904 18.642 1.00 0.00 N ATOM 387 CA VAL A 499 9.511 25.423 17.540 1.00 0.00 C ATOM 388 C VAL A 499 8.070 25.921 17.660 1.00 0.00 C ATOM 389 O VAL A 499 7.621 26.345 18.729 1.00 0.00 O ATOM 390 CB VAL A 499 9.510 23.882 17.413 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.871 23.322 16.989 1.00 0.00 C ATOM 392 CG2 VAL A 499 9.068 23.164 18.693 1.00 0.00 C ATOM 0 H VAL A 499 9.899 25.912 19.546 1.00 0.00 H new ATOM 0 HA VAL A 499 9.951 25.844 16.636 1.00 0.00 H new ATOM 0 HB VAL A 499 8.777 23.684 16.631 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.811 22.236 16.916 1.00 0.00 H new ATOM 0 HG12 VAL A 499 11.149 23.736 16.020 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.623 23.595 17.729 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.091 22.086 18.532 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.744 23.424 19.508 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.054 23.471 18.951 1.00 0.00 H new ATOM 402 N LYS A 500 7.330 25.807 16.549 1.00 0.00 N ATOM 403 CA LYS A 500 5.931 26.229 16.381 1.00 0.00 C ATOM 404 C LYS A 500 5.092 25.059 15.879 1.00 0.00 C ATOM 405 O LYS A 500 5.536 24.299 15.025 1.00 0.00 O ATOM 406 CB LYS A 500 5.896 27.385 15.357 1.00 0.00 C ATOM 407 CG LYS A 500 6.419 28.703 15.944 1.00 0.00 C ATOM 408 CD LYS A 500 5.310 29.450 16.698 1.00 0.00 C ATOM 409 CE LYS A 500 5.903 30.595 17.524 1.00 0.00 C ATOM 410 NZ LYS A 500 4.834 31.414 18.155 1.00 0.00 N ATOM 0 H LYS A 500 7.711 25.396 15.697 1.00 0.00 H new ATOM 0 HA LYS A 500 5.520 26.561 17.334 1.00 0.00 H new ATOM 0 HB2 LYS A 500 6.495 27.115 14.487 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.873 27.527 15.008 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.249 28.500 16.620 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.807 29.333 15.143 1.00 0.00 H new ATOM 0 HD2 LYS A 500 4.582 29.844 15.989 1.00 0.00 H new ATOM 0 HD3 LYS A 500 4.777 28.759 17.352 1.00 0.00 H new ATOM 0 HE2 LYS A 500 6.557 30.189 18.296 1.00 0.00 H new ATOM 0 HE3 LYS A 500 6.519 31.227 16.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 5.266 32.182 18.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 4.225 31.820 17.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 4.262 30.814 18.783 1.00 0.00 H new ATOM 424 N GLN A 501 3.853 24.953 16.359 1.00 0.00 N ATOM 425 CA GLN A 501 2.884 23.920 15.952 1.00 0.00 C ATOM 426 C GLN A 501 2.616 23.901 14.431 1.00 0.00 C ATOM 427 O GLN A 501 2.313 22.854 13.863 1.00 0.00 O ATOM 428 CB GLN A 501 1.603 24.147 16.768 1.00 0.00 C ATOM 429 CG GLN A 501 0.476 23.127 16.519 1.00 0.00 C ATOM 430 CD GLN A 501 -0.534 23.538 15.444 1.00 0.00 C ATOM 431 OE1 GLN A 501 -0.738 22.866 14.441 1.00 0.00 O ATOM 432 NE2 GLN A 501 -1.231 24.643 15.615 1.00 0.00 N ATOM 0 H GLN A 501 3.481 25.595 17.058 1.00 0.00 H new ATOM 0 HA GLN A 501 3.297 22.933 16.161 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.859 24.130 17.827 1.00 0.00 H new ATOM 0 HB3 GLN A 501 1.223 25.145 16.548 1.00 0.00 H new ATOM 0 HG2 GLN A 501 0.923 22.175 16.233 1.00 0.00 H new ATOM 0 HG3 GLN A 501 -0.058 22.960 17.455 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -1.079 25.219 16.443 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -1.923 24.922 14.920 1.00 0.00 H new ATOM 441 N ARG A 502 2.780 25.052 13.762 1.00 0.00 N ATOM 442 CA ARG A 502 2.490 25.257 12.329 1.00 0.00 C ATOM 443 C ARG A 502 3.752 25.274 11.451 1.00 0.00 C ATOM 444 O ARG A 502 3.699 25.684 10.290 1.00 0.00 O ATOM 445 CB ARG A 502 1.636 26.527 12.153 1.00 0.00 C ATOM 446 CG ARG A 502 0.353 26.483 13.005 1.00 0.00 C ATOM 447 CD ARG A 502 -0.632 27.606 12.661 1.00 0.00 C ATOM 448 NE ARG A 502 -0.097 28.947 12.974 1.00 0.00 N ATOM 449 CZ ARG A 502 -0.749 30.092 12.857 1.00 0.00 C ATOM 450 NH1 ARG A 502 -1.985 30.148 12.443 1.00 0.00 N ATOM 451 NH2 ARG A 502 -0.165 31.219 13.157 1.00 0.00 N ATOM 0 H ARG A 502 3.130 25.896 14.216 1.00 0.00 H new ATOM 0 HA ARG A 502 1.919 24.398 11.977 1.00 0.00 H new ATOM 0 HB2 ARG A 502 2.225 27.401 12.430 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.370 26.642 11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 502 -0.138 25.520 12.863 1.00 0.00 H new ATOM 0 HG3 ARG A 502 0.621 26.552 14.059 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -0.878 27.556 11.600 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -1.560 27.452 13.212 1.00 0.00 H new ATOM 0 HE ARG A 502 0.864 28.994 13.312 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -2.480 29.291 12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -2.456 31.049 12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 502 0.801 31.221 13.484 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -0.674 32.098 13.064 1.00 0.00 H new ATOM 465 N ASP A 503 4.883 24.832 12.001 1.00 0.00 N ATOM 466 CA ASP A 503 6.172 24.742 11.313 1.00 0.00 C ATOM 467 C ASP A 503 6.510 23.275 10.984 1.00 0.00 C ATOM 468 O ASP A 503 6.408 22.381 11.830 1.00 0.00 O ATOM 469 CB ASP A 503 7.234 25.408 12.199 1.00 0.00 C ATOM 470 CG ASP A 503 8.625 25.502 11.554 1.00 0.00 C ATOM 471 OD1 ASP A 503 8.728 25.447 10.306 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.604 25.696 12.312 1.00 0.00 O ATOM 0 H ASP A 503 4.929 24.516 12.970 1.00 0.00 H new ATOM 0 HA ASP A 503 6.137 25.265 10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.897 26.412 12.458 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.315 24.849 13.131 1.00 0.00 H new ATOM 477 N VAL A 504 6.887 23.028 9.726 1.00 0.00 N ATOM 478 CA VAL A 504 7.342 21.720 9.234 1.00 0.00 C ATOM 479 C VAL A 504 8.833 21.572 9.566 1.00 0.00 C ATOM 480 O VAL A 504 9.690 22.118 8.865 1.00 0.00 O ATOM 481 CB VAL A 504 7.106 21.555 7.714 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.245 20.077 7.324 1.00 0.00 C ATOM 483 CG2 VAL A 504 5.720 22.023 7.249 1.00 0.00 C ATOM 0 H VAL A 504 6.885 23.747 9.003 1.00 0.00 H new ATOM 0 HA VAL A 504 6.762 20.938 9.725 1.00 0.00 H new ATOM 0 HB VAL A 504 7.856 22.181 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 504 7.078 19.966 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 504 8.247 19.728 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 504 6.509 19.486 7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 504 5.629 21.876 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 504 4.950 21.445 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 504 5.596 23.080 7.483 1.00 0.00 H new ATOM 493 N LEU A 505 9.159 20.869 10.654 1.00 0.00 N ATOM 494 CA LEU A 505 10.550 20.625 11.047 1.00 0.00 C ATOM 495 C LEU A 505 11.145 19.439 10.268 1.00 0.00 C ATOM 496 O LEU A 505 10.462 18.457 9.980 1.00 0.00 O ATOM 497 CB LEU A 505 10.642 20.388 12.572 1.00 0.00 C ATOM 498 CG LEU A 505 10.677 21.630 13.485 1.00 0.00 C ATOM 499 CD1 LEU A 505 11.811 22.591 13.118 1.00 0.00 C ATOM 500 CD2 LEU A 505 9.359 22.400 13.504 1.00 0.00 C ATOM 0 H LEU A 505 8.471 20.455 11.284 1.00 0.00 H new ATOM 0 HA LEU A 505 11.137 21.510 10.799 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.790 19.776 12.869 1.00 0.00 H new ATOM 0 HB3 LEU A 505 11.540 19.801 12.768 1.00 0.00 H new ATOM 0 HG LEU A 505 10.854 21.232 14.484 1.00 0.00 H new ATOM 0 HD11 LEU A 505 11.793 23.449 13.790 1.00 0.00 H new ATOM 0 HD12 LEU A 505 12.768 22.077 13.211 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.681 22.932 12.091 1.00 0.00 H new ATOM 0 HD21 LEU A 505 9.451 23.262 14.165 1.00 0.00 H new ATOM 0 HD22 LEU A 505 9.121 22.740 12.496 1.00 0.00 H new ATOM 0 HD23 LEU A 505 8.563 21.749 13.865 1.00 0.00 H new ATOM 512 N GLU A 506 12.441 19.498 9.961 1.00 0.00 N ATOM 513 CA GLU A 506 13.183 18.401 9.321 1.00 0.00 C ATOM 514 C GLU A 506 14.012 17.668 10.378 1.00 0.00 C ATOM 515 O GLU A 506 14.968 18.239 10.902 1.00 0.00 O ATOM 516 CB GLU A 506 14.077 18.957 8.198 1.00 0.00 C ATOM 517 CG GLU A 506 14.792 17.838 7.427 1.00 0.00 C ATOM 518 CD GLU A 506 15.682 18.370 6.285 1.00 0.00 C ATOM 519 OE1 GLU A 506 16.484 19.314 6.498 1.00 0.00 O ATOM 520 OE2 GLU A 506 15.636 17.805 5.165 1.00 0.00 O ATOM 0 H GLU A 506 13.017 20.318 10.151 1.00 0.00 H new ATOM 0 HA GLU A 506 12.486 17.692 8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.470 19.543 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 506 14.817 19.634 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 506 15.405 17.261 8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.049 17.156 7.014 1.00 0.00 H new ATOM 527 N VAL A 507 13.647 16.425 10.720 1.00 0.00 N ATOM 528 CA VAL A 507 14.450 15.566 11.611 1.00 0.00 C ATOM 529 C VAL A 507 15.792 15.193 10.966 1.00 0.00 C ATOM 530 O VAL A 507 15.863 14.848 9.783 1.00 0.00 O ATOM 531 CB VAL A 507 13.652 14.328 12.079 1.00 0.00 C ATOM 532 CG1 VAL A 507 13.207 13.380 10.956 1.00 0.00 C ATOM 533 CG2 VAL A 507 14.424 13.517 13.129 1.00 0.00 C ATOM 0 H VAL A 507 12.789 15.984 10.389 1.00 0.00 H new ATOM 0 HA VAL A 507 14.682 16.140 12.508 1.00 0.00 H new ATOM 0 HB VAL A 507 12.748 14.755 12.513 1.00 0.00 H new ATOM 0 HG11 VAL A 507 12.655 12.543 11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 507 12.566 13.918 10.258 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.084 13.005 10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 507 13.830 12.655 13.432 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.367 13.175 12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 507 14.624 14.144 13.998 1.00 0.00 H new ATOM 543 N LEU A 508 16.860 15.249 11.770 1.00 0.00 N ATOM 544 CA LEU A 508 18.246 14.992 11.354 1.00 0.00 C ATOM 545 C LEU A 508 18.933 13.937 12.235 1.00 0.00 C ATOM 546 O LEU A 508 19.742 13.154 11.733 1.00 0.00 O ATOM 547 CB LEU A 508 19.049 16.302 11.426 1.00 0.00 C ATOM 548 CG LEU A 508 18.510 17.482 10.597 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.316 18.732 10.945 1.00 0.00 C ATOM 550 CD2 LEU A 508 18.597 17.235 9.091 1.00 0.00 C ATOM 0 H LEU A 508 16.782 15.482 12.760 1.00 0.00 H new ATOM 0 HA LEU A 508 18.217 14.608 10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.102 16.613 12.469 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.069 16.095 11.103 1.00 0.00 H new ATOM 0 HG LEU A 508 17.456 17.606 10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 508 18.945 19.577 10.365 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.212 18.948 12.008 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.367 18.564 10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.203 18.100 8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 508 19.638 17.077 8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.012 16.352 8.833 1.00 0.00 H new ATOM 562 N ASP A 509 18.588 13.882 13.526 1.00 0.00 N ATOM 563 CA ASP A 509 19.033 12.839 14.453 1.00 0.00 C ATOM 564 C ASP A 509 17.907 12.455 15.429 1.00 0.00 C ATOM 565 O ASP A 509 17.196 13.315 15.954 1.00 0.00 O ATOM 566 CB ASP A 509 20.280 13.316 15.212 1.00 0.00 C ATOM 567 CG ASP A 509 20.882 12.179 16.052 1.00 0.00 C ATOM 568 OD1 ASP A 509 21.399 11.201 15.460 1.00 0.00 O ATOM 569 OD2 ASP A 509 20.830 12.246 17.303 1.00 0.00 O ATOM 0 H ASP A 509 17.980 14.575 13.963 1.00 0.00 H new ATOM 0 HA ASP A 509 19.291 11.947 13.882 1.00 0.00 H new ATOM 0 HB2 ASP A 509 21.023 13.682 14.504 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.018 14.152 15.860 1.00 0.00 H new ATOM 574 N ASP A 510 17.758 11.151 15.663 1.00 0.00 N ATOM 575 CA ASP A 510 16.702 10.532 16.482 1.00 0.00 C ATOM 576 C ASP A 510 17.245 9.390 17.378 1.00 0.00 C ATOM 577 O ASP A 510 16.497 8.530 17.855 1.00 0.00 O ATOM 578 CB ASP A 510 15.543 10.087 15.566 1.00 0.00 C ATOM 579 CG ASP A 510 15.951 9.149 14.412 1.00 0.00 C ATOM 580 OD1 ASP A 510 16.872 8.309 14.571 1.00 0.00 O ATOM 581 OD2 ASP A 510 15.333 9.238 13.322 1.00 0.00 O ATOM 0 H ASP A 510 18.398 10.460 15.271 1.00 0.00 H new ATOM 0 HA ASP A 510 16.315 11.273 17.182 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.791 9.585 16.174 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.071 10.974 15.144 1.00 0.00 H new ATOM 586 N SER A 511 18.566 9.386 17.621 1.00 0.00 N ATOM 587 CA SER A 511 19.287 8.386 18.430 1.00 0.00 C ATOM 588 C SER A 511 18.854 8.350 19.911 1.00 0.00 C ATOM 589 O SER A 511 18.980 7.317 20.578 1.00 0.00 O ATOM 590 CB SER A 511 20.793 8.674 18.330 1.00 0.00 C ATOM 591 OG SER A 511 21.564 7.592 18.827 1.00 0.00 O ATOM 0 H SER A 511 19.185 10.105 17.246 1.00 0.00 H new ATOM 0 HA SER A 511 19.041 7.404 18.027 1.00 0.00 H new ATOM 0 HB2 SER A 511 21.060 8.865 17.290 1.00 0.00 H new ATOM 0 HB3 SER A 511 21.029 9.578 18.891 1.00 0.00 H new ATOM 0 HG SER A 511 22.517 7.806 18.748 1.00 0.00 H new ATOM 597 N ARG A 512 18.299 9.461 20.419 1.00 0.00 N ATOM 598 CA ARG A 512 17.796 9.648 21.795 1.00 0.00 C ATOM 599 C ARG A 512 16.413 10.313 21.791 1.00 0.00 C ATOM 600 O ARG A 512 15.964 10.807 20.760 1.00 0.00 O ATOM 601 CB ARG A 512 18.783 10.522 22.598 1.00 0.00 C ATOM 602 CG ARG A 512 20.255 10.067 22.554 1.00 0.00 C ATOM 603 CD ARG A 512 21.140 10.853 23.538 1.00 0.00 C ATOM 604 NE ARG A 512 20.998 12.323 23.410 1.00 0.00 N ATOM 605 CZ ARG A 512 21.481 13.108 22.462 1.00 0.00 C ATOM 606 NH1 ARG A 512 22.214 12.659 21.480 1.00 0.00 N ATOM 607 NH2 ARG A 512 21.231 14.386 22.485 1.00 0.00 N ATOM 0 H ARG A 512 18.181 10.301 19.852 1.00 0.00 H new ATOM 0 HA ARG A 512 17.707 8.666 22.261 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.725 11.544 22.223 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.458 10.545 23.638 1.00 0.00 H new ATOM 0 HG2 ARG A 512 20.311 9.004 22.788 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.641 10.192 21.542 1.00 0.00 H new ATOM 0 HD2 ARG A 512 20.889 10.558 24.557 1.00 0.00 H new ATOM 0 HD3 ARG A 512 22.183 10.580 23.375 1.00 0.00 H new ATOM 0 HE ARG A 512 20.462 12.786 24.144 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.436 11.665 21.422 1.00 0.00 H new ATOM 0 HH12 ARG A 512 22.565 13.302 20.770 1.00 0.00 H new ATOM 0 HH21 ARG A 512 20.663 14.781 23.234 1.00 0.00 H new ATOM 0 HH22 ARG A 512 21.604 14.992 21.754 1.00 0.00 H new ATOM 621 N LYS A 513 15.769 10.388 22.962 1.00 0.00 N ATOM 622 CA LYS A 513 14.499 11.110 23.227 1.00 0.00 C ATOM 623 C LYS A 513 14.479 12.581 22.769 1.00 0.00 C ATOM 624 O LYS A 513 13.454 13.067 22.290 1.00 0.00 O ATOM 625 CB LYS A 513 14.162 10.981 24.721 1.00 0.00 C ATOM 626 CG LYS A 513 15.199 11.682 25.617 1.00 0.00 C ATOM 627 CD LYS A 513 15.193 11.142 27.046 1.00 0.00 C ATOM 628 CE LYS A 513 16.514 11.534 27.723 1.00 0.00 C ATOM 629 NZ LYS A 513 16.551 11.134 29.153 1.00 0.00 N ATOM 0 H LYS A 513 16.130 9.927 23.798 1.00 0.00 H new ATOM 0 HA LYS A 513 13.731 10.636 22.615 1.00 0.00 H new ATOM 0 HB2 LYS A 513 13.177 11.408 24.907 1.00 0.00 H new ATOM 0 HB3 LYS A 513 14.108 9.926 24.989 1.00 0.00 H new ATOM 0 HG2 LYS A 513 16.192 11.554 25.187 1.00 0.00 H new ATOM 0 HG3 LYS A 513 14.995 12.753 25.635 1.00 0.00 H new ATOM 0 HD2 LYS A 513 14.348 11.550 27.601 1.00 0.00 H new ATOM 0 HD3 LYS A 513 15.078 10.058 27.040 1.00 0.00 H new ATOM 0 HE2 LYS A 513 17.344 11.065 27.195 1.00 0.00 H new ATOM 0 HE3 LYS A 513 16.654 12.612 27.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 17.461 11.418 29.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 15.775 11.601 29.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 16.443 10.102 29.228 1.00 0.00 H new ATOM 643 N TRP A 514 15.605 13.286 22.888 1.00 0.00 N ATOM 644 CA TRP A 514 15.784 14.633 22.337 1.00 0.00 C ATOM 645 C TRP A 514 16.167 14.531 20.857 1.00 0.00 C ATOM 646 O TRP A 514 17.342 14.376 20.512 1.00 0.00 O ATOM 647 CB TRP A 514 16.812 15.424 23.157 1.00 0.00 C ATOM 648 CG TRP A 514 16.320 15.867 24.503 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.388 15.150 25.646 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.666 17.125 24.866 1.00 0.00 C ATOM 651 NE1 TRP A 514 15.775 15.846 26.673 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.309 17.072 26.247 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.349 18.312 24.172 1.00 0.00 C ATOM 654 CZ2 TRP A 514 14.642 18.124 26.893 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.702 19.387 24.815 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.337 19.290 26.169 1.00 0.00 C ATOM 0 H TRP A 514 16.429 12.935 23.375 1.00 0.00 H new ATOM 0 HA TRP A 514 14.846 15.185 22.403 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.702 14.809 23.293 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.116 16.302 22.587 1.00 0.00 H new ATOM 0 HD1 TRP A 514 16.851 14.179 25.744 1.00 0.00 H new ATOM 0 HE1 TRP A 514 15.680 15.496 27.626 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.607 18.399 23.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.366 18.039 27.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.486 20.290 24.264 1.00 0.00 H new ATOM 0 HH2 TRP A 514 13.824 20.109 26.652 1.00 0.00 H new ATOM 667 N TRP A 515 15.160 14.558 19.981 1.00 0.00 N ATOM 668 CA TRP A 515 15.363 14.604 18.532 1.00 0.00 C ATOM 669 C TRP A 515 15.977 15.952 18.140 1.00 0.00 C ATOM 670 O TRP A 515 15.685 16.991 18.744 1.00 0.00 O ATOM 671 CB TRP A 515 14.038 14.339 17.788 1.00 0.00 C ATOM 672 CG TRP A 515 13.533 12.919 17.814 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.853 11.995 18.745 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.653 12.219 16.872 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.260 10.787 18.459 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.505 10.865 17.311 1.00 0.00 C ATOM 677 CE3 TRP A 515 11.973 12.578 15.686 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.741 9.920 16.613 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.213 11.631 14.967 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.098 10.306 15.426 1.00 0.00 C ATOM 0 H TRP A 515 14.178 14.549 20.258 1.00 0.00 H new ATOM 0 HA TRP A 515 16.058 13.817 18.239 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.270 14.984 18.216 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.163 14.639 16.748 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.488 12.179 19.599 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.366 9.944 19.024 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.036 13.594 15.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.648 8.910 16.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.715 11.926 14.055 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.517 9.588 14.867 1.00 0.00 H new ATOM 691 N LYS A 516 16.824 15.943 17.109 1.00 0.00 N ATOM 692 CA LYS A 516 17.411 17.159 16.535 1.00 0.00 C ATOM 693 C LYS A 516 16.750 17.457 15.200 1.00 0.00 C ATOM 694 O LYS A 516 16.624 16.576 14.345 1.00 0.00 O ATOM 695 CB LYS A 516 18.936 17.021 16.408 1.00 0.00 C ATOM 696 CG LYS A 516 19.606 18.387 16.131 1.00 0.00 C ATOM 697 CD LYS A 516 20.008 18.552 14.659 1.00 0.00 C ATOM 698 CE LYS A 516 21.315 17.813 14.330 1.00 0.00 C ATOM 699 NZ LYS A 516 22.510 18.592 14.761 1.00 0.00 N ATOM 0 H LYS A 516 17.125 15.086 16.644 1.00 0.00 H new ATOM 0 HA LYS A 516 17.227 18.002 17.201 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.342 16.595 17.325 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.174 16.327 15.602 1.00 0.00 H new ATOM 0 HG2 LYS A 516 18.921 19.188 16.410 1.00 0.00 H new ATOM 0 HG3 LYS A 516 20.490 18.490 16.760 1.00 0.00 H new ATOM 0 HD2 LYS A 516 19.209 18.175 14.021 1.00 0.00 H new ATOM 0 HD3 LYS A 516 20.124 19.612 14.432 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.317 16.840 14.822 1.00 0.00 H new ATOM 0 HE3 LYS A 516 21.369 17.628 13.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.371 18.041 14.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 22.548 19.488 14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 22.446 18.791 15.780 1.00 0.00 H new ATOM 713 N VAL A 517 16.360 18.715 15.025 1.00 0.00 N ATOM 714 CA VAL A 517 15.653 19.208 13.839 1.00 0.00 C ATOM 715 C VAL A 517 16.291 20.487 13.295 1.00 0.00 C ATOM 716 O VAL A 517 17.054 21.163 13.994 1.00 0.00 O ATOM 717 CB VAL A 517 14.152 19.438 14.122 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.401 18.156 14.507 1.00 0.00 C ATOM 719 CG2 VAL A 517 13.915 20.484 15.220 1.00 0.00 C ATOM 0 H VAL A 517 16.529 19.442 15.720 1.00 0.00 H new ATOM 0 HA VAL A 517 15.739 18.432 13.078 1.00 0.00 H new ATOM 0 HB VAL A 517 13.755 19.804 13.175 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.353 18.390 14.692 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.474 17.434 13.694 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.843 17.733 15.409 1.00 0.00 H new ATOM 0 HG21 VAL A 517 12.844 20.608 15.380 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.384 20.152 16.146 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.349 21.436 14.915 1.00 0.00 H new ATOM 729 N ARG A 518 15.931 20.840 12.056 1.00 0.00 N ATOM 730 CA ARG A 518 16.325 22.084 11.381 1.00 0.00 C ATOM 731 C ARG A 518 15.106 22.966 11.117 1.00 0.00 C ATOM 732 O ARG A 518 14.195 22.599 10.370 1.00 0.00 O ATOM 733 CB ARG A 518 17.124 21.732 10.122 1.00 0.00 C ATOM 734 CG ARG A 518 17.521 22.938 9.256 1.00 0.00 C ATOM 735 CD ARG A 518 18.866 22.704 8.556 1.00 0.00 C ATOM 736 NE ARG A 518 18.848 21.499 7.705 1.00 0.00 N ATOM 737 CZ ARG A 518 19.788 21.110 6.862 1.00 0.00 C ATOM 738 NH1 ARG A 518 20.897 21.778 6.696 1.00 0.00 N ATOM 739 NH2 ARG A 518 19.617 20.028 6.159 1.00 0.00 N ATOM 0 H ARG A 518 15.337 20.248 11.475 1.00 0.00 H new ATOM 0 HA ARG A 518 16.976 22.680 12.020 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.029 21.201 10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.535 21.044 9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 518 16.748 23.123 8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 518 17.583 23.831 9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 518 19.113 23.573 7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 518 19.652 22.606 9.305 1.00 0.00 H new ATOM 0 HE ARG A 518 18.023 20.903 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 518 21.062 22.633 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 518 21.599 21.445 6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 518 18.760 19.484 6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 518 20.340 19.724 5.507 1.00 0.00 H new ATOM 753 N ASP A 519 15.096 24.113 11.788 1.00 0.00 N ATOM 754 CA ASP A 519 14.140 25.210 11.614 1.00 0.00 C ATOM 755 C ASP A 519 14.281 25.902 10.231 1.00 0.00 C ATOM 756 O ASP A 519 15.335 25.803 9.586 1.00 0.00 O ATOM 757 CB ASP A 519 14.362 26.211 12.762 1.00 0.00 C ATOM 758 CG ASP A 519 15.826 26.651 12.832 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.214 27.584 12.090 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.570 26.023 13.618 1.00 0.00 O ATOM 0 H ASP A 519 15.790 24.317 12.507 1.00 0.00 H new ATOM 0 HA ASP A 519 13.125 24.813 11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.723 27.082 12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.070 25.755 13.708 1.00 0.00 H new ATOM 765 N PRO A 520 13.250 26.632 9.758 1.00 0.00 N ATOM 766 CA PRO A 520 13.256 27.296 8.450 1.00 0.00 C ATOM 767 C PRO A 520 14.182 28.525 8.361 1.00 0.00 C ATOM 768 O PRO A 520 14.434 29.015 7.256 1.00 0.00 O ATOM 769 CB PRO A 520 11.794 27.682 8.189 1.00 0.00 C ATOM 770 CG PRO A 520 11.226 27.876 9.592 1.00 0.00 C ATOM 771 CD PRO A 520 11.941 26.779 10.377 1.00 0.00 C ATOM 0 HA PRO A 520 13.660 26.620 7.697 1.00 0.00 H new ATOM 0 HB2 PRO A 520 11.718 28.593 7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.263 26.901 7.644 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.444 28.868 9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.143 27.754 9.614 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.035 27.050 11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.383 25.843 10.337 1.00 0.00 H new ATOM 779 N ALA A 521 14.704 29.027 9.488 1.00 0.00 N ATOM 780 CA ALA A 521 15.684 30.120 9.511 1.00 0.00 C ATOM 781 C ALA A 521 17.096 29.661 9.088 1.00 0.00 C ATOM 782 O ALA A 521 17.933 30.494 8.725 1.00 0.00 O ATOM 783 CB ALA A 521 15.717 30.746 10.914 1.00 0.00 C ATOM 0 H ALA A 521 14.456 28.683 10.416 1.00 0.00 H new ATOM 0 HA ALA A 521 15.369 30.864 8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.444 31.558 10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 521 14.730 31.137 11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.000 29.988 11.644 1.00 0.00 H new ATOM 789 N GLY A 522 17.365 28.349 9.132 1.00 0.00 N ATOM 790 CA GLY A 522 18.632 27.738 8.720 1.00 0.00 C ATOM 791 C GLY A 522 19.545 27.332 9.884 1.00 0.00 C ATOM 792 O GLY A 522 20.738 27.105 9.664 1.00 0.00 O ATOM 0 H GLY A 522 16.686 27.665 9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.417 26.856 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.169 28.438 8.080 1.00 0.00 H new ATOM 796 N GLN A 523 19.016 27.259 11.110 1.00 0.00 N ATOM 797 CA GLN A 523 19.746 26.836 12.310 1.00 0.00 C ATOM 798 C GLN A 523 19.370 25.390 12.711 1.00 0.00 C ATOM 799 O GLN A 523 18.690 24.679 11.965 1.00 0.00 O ATOM 800 CB GLN A 523 19.521 27.849 13.451 1.00 0.00 C ATOM 801 CG GLN A 523 19.660 29.330 13.043 1.00 0.00 C ATOM 802 CD GLN A 523 20.086 30.232 14.205 1.00 0.00 C ATOM 803 OE1 GLN A 523 21.076 29.997 14.890 1.00 0.00 O ATOM 804 NE2 GLN A 523 19.380 31.315 14.467 1.00 0.00 N ATOM 0 H GLN A 523 18.043 27.499 11.300 1.00 0.00 H new ATOM 0 HA GLN A 523 20.814 26.823 12.092 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.524 27.693 13.864 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.233 27.639 14.249 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.391 29.413 12.239 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.708 29.683 12.646 1.00 0.00 H new ATOM 0 HE21 GLN A 523 18.553 31.531 13.911 1.00 0.00 H new ATOM 0 HE22 GLN A 523 19.661 31.936 15.226 1.00 0.00 H new ATOM 813 N GLU A 524 19.856 24.920 13.865 1.00 0.00 N ATOM 814 CA GLU A 524 19.587 23.577 14.403 1.00 0.00 C ATOM 815 C GLU A 524 19.519 23.597 15.945 1.00 0.00 C ATOM 816 O GLU A 524 20.205 24.392 16.597 1.00 0.00 O ATOM 817 CB GLU A 524 20.709 22.614 13.969 1.00 0.00 C ATOM 818 CG GLU A 524 20.648 22.153 12.499 1.00 0.00 C ATOM 819 CD GLU A 524 21.862 21.291 12.094 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.546 20.711 12.974 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.150 21.189 10.876 1.00 0.00 O ATOM 0 H GLU A 524 20.463 25.475 14.468 1.00 0.00 H new ATOM 0 HA GLU A 524 18.625 23.243 14.013 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.669 23.100 14.141 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.678 21.733 14.611 1.00 0.00 H new ATOM 0 HG2 GLU A 524 19.733 21.582 12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 524 20.596 23.027 11.850 1.00 0.00 H new ATOM 828 N GLY A 525 18.734 22.690 16.540 1.00 0.00 N ATOM 829 CA GLY A 525 18.667 22.501 17.994 1.00 0.00 C ATOM 830 C GLY A 525 17.887 21.255 18.424 1.00 0.00 C ATOM 831 O GLY A 525 17.055 20.728 17.678 1.00 0.00 O ATOM 0 H GLY A 525 18.122 22.061 16.020 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.681 22.437 18.389 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.205 23.380 18.444 1.00 0.00 H new ATOM 835 N TYR A 526 18.161 20.785 19.643 1.00 0.00 N ATOM 836 CA TYR A 526 17.442 19.672 20.272 1.00 0.00 C ATOM 837 C TYR A 526 16.057 20.092 20.801 1.00 0.00 C ATOM 838 O TYR A 526 15.896 21.181 21.360 1.00 0.00 O ATOM 839 CB TYR A 526 18.297 19.100 21.413 1.00 0.00 C ATOM 840 CG TYR A 526 19.515 18.330 20.939 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.341 17.130 20.222 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.816 18.799 21.212 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.459 16.404 19.772 1.00 0.00 C ATOM 844 CE2 TYR A 526 21.940 18.081 20.754 1.00 0.00 C ATOM 845 CZ TYR A 526 21.761 16.882 20.028 1.00 0.00 C ATOM 846 OH TYR A 526 22.835 16.165 19.600 1.00 0.00 O ATOM 0 H TYR A 526 18.899 21.172 20.231 1.00 0.00 H new ATOM 0 HA TYR A 526 17.271 18.910 19.512 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.623 19.918 22.055 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.678 18.443 22.024 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.345 16.766 20.017 1.00 0.00 H new ATOM 0 HD2 TYR A 526 20.952 19.711 21.774 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.320 15.480 19.230 1.00 0.00 H new ATOM 0 HE2 TYR A 526 22.936 18.447 20.958 1.00 0.00 H new ATOM 0 HH TYR A 526 23.660 16.629 19.854 1.00 0.00 H new ATOM 856 N VAL A 527 15.079 19.188 20.666 1.00 0.00 N ATOM 857 CA VAL A 527 13.681 19.314 21.135 1.00 0.00 C ATOM 858 C VAL A 527 13.109 17.935 21.520 1.00 0.00 C ATOM 859 O VAL A 527 13.583 16.916 21.011 1.00 0.00 O ATOM 860 CB VAL A 527 12.773 19.953 20.057 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.932 21.475 20.013 1.00 0.00 C ATOM 862 CG2 VAL A 527 13.014 19.395 18.650 1.00 0.00 C ATOM 0 H VAL A 527 15.245 18.296 20.201 1.00 0.00 H new ATOM 0 HA VAL A 527 13.696 19.963 22.010 1.00 0.00 H new ATOM 0 HB VAL A 527 11.758 19.693 20.357 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.279 21.887 19.244 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.664 21.897 20.981 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.967 21.726 19.782 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.345 19.886 17.944 1.00 0.00 H new ATOM 0 HG22 VAL A 527 14.048 19.579 18.358 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.821 18.322 18.646 1.00 0.00 H new ATOM 872 N PRO A 528 12.097 17.851 22.407 1.00 0.00 N ATOM 873 CA PRO A 528 11.515 16.566 22.798 1.00 0.00 C ATOM 874 C PRO A 528 10.717 15.927 21.649 1.00 0.00 C ATOM 875 O PRO A 528 9.930 16.596 20.979 1.00 0.00 O ATOM 876 CB PRO A 528 10.629 16.879 24.011 1.00 0.00 C ATOM 877 CG PRO A 528 10.253 18.352 23.836 1.00 0.00 C ATOM 878 CD PRO A 528 11.466 18.950 23.129 1.00 0.00 C ATOM 0 HA PRO A 528 12.283 15.833 23.044 1.00 0.00 H new ATOM 0 HB2 PRO A 528 9.744 16.243 24.032 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.163 16.713 24.947 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.346 18.467 23.242 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.069 18.836 24.795 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.166 19.744 22.445 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.157 19.392 23.847 1.00 0.00 H new ATOM 886 N TYR A 529 10.853 14.612 21.447 1.00 0.00 N ATOM 887 CA TYR A 529 10.054 13.871 20.456 1.00 0.00 C ATOM 888 C TYR A 529 8.532 13.898 20.725 1.00 0.00 C ATOM 889 O TYR A 529 7.750 13.659 19.807 1.00 0.00 O ATOM 890 CB TYR A 529 10.545 12.419 20.343 1.00 0.00 C ATOM 891 CG TYR A 529 10.012 11.476 21.412 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.509 11.532 22.729 1.00 0.00 C ATOM 893 CD2 TYR A 529 8.987 10.561 21.094 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.001 10.673 23.721 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.471 9.703 22.084 1.00 0.00 C ATOM 896 CZ TYR A 529 8.979 9.754 23.400 1.00 0.00 C ATOM 897 OH TYR A 529 8.481 8.923 24.355 1.00 0.00 O ATOM 0 H TYR A 529 11.515 14.031 21.961 1.00 0.00 H new ATOM 0 HA TYR A 529 10.204 14.390 19.509 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.263 12.031 19.364 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.634 12.415 20.386 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.286 12.240 22.979 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.597 10.518 20.088 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.393 10.717 24.727 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.685 9.005 21.836 1.00 0.00 H new ATOM 0 HH TYR A 529 7.783 8.357 23.964 1.00 0.00 H new ATOM 907 N ASN A 530 8.102 14.186 21.963 1.00 0.00 N ATOM 908 CA ASN A 530 6.690 14.200 22.367 1.00 0.00 C ATOM 909 C ASN A 530 5.855 15.314 21.697 1.00 0.00 C ATOM 910 O ASN A 530 4.707 15.069 21.313 1.00 0.00 O ATOM 911 CB ASN A 530 6.638 14.313 23.902 1.00 0.00 C ATOM 912 CG ASN A 530 5.211 14.348 24.428 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.666 15.400 24.738 1.00 0.00 O ATOM 914 ND2 ASN A 530 4.559 13.213 24.542 1.00 0.00 N ATOM 0 H ASN A 530 8.739 14.420 22.725 1.00 0.00 H new ATOM 0 HA ASN A 530 6.232 13.271 22.026 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.166 13.468 24.345 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.161 15.216 24.216 1.00 0.00 H new ATOM 0 HD21 ASN A 530 3.600 13.209 24.888 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.012 12.336 24.284 1.00 0.00 H new ATOM 921 N ILE A 531 6.416 16.523 21.538 1.00 0.00 N ATOM 922 CA ILE A 531 5.731 17.636 20.844 1.00 0.00 C ATOM 923 C ILE A 531 5.787 17.505 19.316 1.00 0.00 C ATOM 924 O ILE A 531 4.970 18.102 18.615 1.00 0.00 O ATOM 925 CB ILE A 531 6.274 19.022 21.259 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.715 19.257 20.752 1.00 0.00 C ATOM 927 CG2 ILE A 531 6.126 19.211 22.781 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.297 20.614 21.129 1.00 0.00 C ATOM 0 H ILE A 531 7.347 16.760 21.881 1.00 0.00 H new ATOM 0 HA ILE A 531 4.690 17.563 21.160 1.00 0.00 H new ATOM 0 HB ILE A 531 5.674 19.792 20.775 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.360 18.474 21.150 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.727 19.158 19.667 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.511 20.190 23.065 1.00 0.00 H new ATOM 0 HG22 ILE A 531 5.073 19.141 23.056 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.689 18.435 23.300 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.310 20.698 20.735 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.677 21.405 20.708 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.321 20.711 22.214 1.00 0.00 H new ATOM 940 N LEU A 532 6.759 16.750 18.799 1.00 0.00 N ATOM 941 CA LEU A 532 6.882 16.414 17.383 1.00 0.00 C ATOM 942 C LEU A 532 5.930 15.259 17.016 1.00 0.00 C ATOM 943 O LEU A 532 5.548 14.441 17.857 1.00 0.00 O ATOM 944 CB LEU A 532 8.347 16.035 17.081 1.00 0.00 C ATOM 945 CG LEU A 532 9.386 17.139 17.370 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.785 16.586 17.097 1.00 0.00 C ATOM 947 CD2 LEU A 532 9.164 18.390 16.514 1.00 0.00 C ATOM 0 H LEU A 532 7.501 16.346 19.371 1.00 0.00 H new ATOM 0 HA LEU A 532 6.603 17.277 16.779 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.605 15.153 17.667 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.423 15.753 16.031 1.00 0.00 H new ATOM 0 HG LEU A 532 9.277 17.433 18.414 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.527 17.358 17.298 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.970 15.728 17.744 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.857 16.277 16.054 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.921 19.136 16.756 1.00 0.00 H new ATOM 0 HD22 LEU A 532 9.238 18.127 15.459 1.00 0.00 H new ATOM 0 HD23 LEU A 532 8.174 18.799 16.717 1.00 0.00 H new ATOM 959 N THR A 533 5.590 15.163 15.731 1.00 0.00 N ATOM 960 CA THR A 533 4.781 14.073 15.155 1.00 0.00 C ATOM 961 C THR A 533 5.173 13.835 13.692 1.00 0.00 C ATOM 962 O THR A 533 5.762 14.725 13.074 1.00 0.00 O ATOM 963 CB THR A 533 3.262 14.369 15.235 1.00 0.00 C ATOM 964 OG1 THR A 533 2.936 15.743 15.158 1.00 0.00 O ATOM 965 CG2 THR A 533 2.655 13.852 16.545 1.00 0.00 C ATOM 0 H THR A 533 5.874 15.856 15.038 1.00 0.00 H new ATOM 0 HA THR A 533 4.984 13.179 15.745 1.00 0.00 H new ATOM 0 HB THR A 533 2.851 13.854 14.366 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.548 16.190 14.537 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.589 14.077 16.566 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.799 12.774 16.612 1.00 0.00 H new ATOM 0 HG23 THR A 533 3.145 14.337 17.389 1.00 0.00 H new ATOM 973 N PRO A 534 4.851 12.669 13.096 1.00 0.00 N ATOM 974 CA PRO A 534 5.022 12.460 11.658 1.00 0.00 C ATOM 975 C PRO A 534 4.137 13.414 10.836 1.00 0.00 C ATOM 976 O PRO A 534 3.190 14.013 11.354 1.00 0.00 O ATOM 977 CB PRO A 534 4.664 10.986 11.420 1.00 0.00 C ATOM 978 CG PRO A 534 3.695 10.661 12.558 1.00 0.00 C ATOM 979 CD PRO A 534 4.238 11.498 13.714 1.00 0.00 C ATOM 0 HA PRO A 534 6.040 12.677 11.335 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.200 10.839 10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.548 10.349 11.452 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.670 10.934 12.307 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.692 9.597 12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.440 11.788 14.397 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.967 10.935 14.297 1.00 0.00 H new ATOM 987 N TYR A 535 4.409 13.504 9.531 1.00 0.00 N ATOM 988 CA TYR A 535 3.593 14.251 8.565 1.00 0.00 C ATOM 989 C TYR A 535 3.005 13.312 7.489 1.00 0.00 C ATOM 990 O TYR A 535 3.521 13.243 6.367 1.00 0.00 O ATOM 991 CB TYR A 535 4.383 15.443 7.995 1.00 0.00 C ATOM 992 CG TYR A 535 3.566 16.369 7.098 1.00 0.00 C ATOM 993 CD1 TYR A 535 2.288 16.821 7.499 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.091 16.782 5.855 1.00 0.00 C ATOM 995 CE1 TYR A 535 1.532 17.656 6.652 1.00 0.00 C ATOM 996 CE2 TYR A 535 3.339 17.623 5.010 1.00 0.00 C ATOM 997 CZ TYR A 535 2.054 18.058 5.406 1.00 0.00 C ATOM 998 OH TYR A 535 1.320 18.867 4.599 1.00 0.00 O ATOM 0 H TYR A 535 5.218 13.051 9.106 1.00 0.00 H new ATOM 0 HA TYR A 535 2.732 14.680 9.077 1.00 0.00 H new ATOM 0 HB2 TYR A 535 4.788 16.024 8.823 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.232 15.062 7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 535 1.889 16.525 8.458 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.073 16.452 5.550 1.00 0.00 H new ATOM 0 HE1 TYR A 535 0.551 17.988 6.958 1.00 0.00 H new ATOM 0 HE2 TYR A 535 3.745 17.935 4.059 1.00 0.00 H new ATOM 0 HH TYR A 535 1.822 19.053 3.778 1.00 0.00 H new ATOM 1008 N PRO A 536 1.936 12.552 7.819 1.00 0.00 N ATOM 1009 CA PRO A 536 1.257 11.657 6.878 1.00 0.00 C ATOM 1010 C PRO A 536 0.398 12.395 5.829 1.00 0.00 C ATOM 1011 O PRO A 536 -0.094 11.760 4.893 1.00 0.00 O ATOM 1012 CB PRO A 536 0.398 10.740 7.757 1.00 0.00 C ATOM 1013 CG PRO A 536 0.031 11.634 8.938 1.00 0.00 C ATOM 1014 CD PRO A 536 1.295 12.472 9.128 1.00 0.00 C ATOM 0 HA PRO A 536 1.986 11.109 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 536 -0.488 10.388 7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 536 0.950 9.856 8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 536 -0.838 12.255 8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 536 -0.207 11.052 9.828 1.00 0.00 H new ATOM 0 HD2 PRO A 536 1.050 13.466 9.502 1.00 0.00 H new ATOM 0 HD3 PRO A 536 1.960 12.012 9.859 1.00 0.00 H new ATOM 1022 N ALA A 537 0.212 13.719 5.976 1.00 0.00 N ATOM 1023 CA ALA A 537 -0.627 14.576 5.126 1.00 0.00 C ATOM 1024 C ALA A 537 -2.062 14.029 4.910 1.00 0.00 C ATOM 1025 O ALA A 537 -2.619 14.099 3.807 1.00 0.00 O ATOM 1026 CB ALA A 537 0.146 14.906 3.838 1.00 0.00 C ATOM 0 H ALA A 537 0.664 14.242 6.726 1.00 0.00 H new ATOM 0 HA ALA A 537 -0.820 15.515 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 537 -0.467 15.542 3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 537 1.069 15.428 4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 537 0.384 13.983 3.310 1.00 0.00 H new ATOM 1032 N ALA A 538 -2.654 13.473 5.975 1.00 0.00 N ATOM 1033 CA ALA A 538 -3.983 12.848 5.988 1.00 0.00 C ATOM 1034 C ALA A 538 -4.770 13.208 7.267 1.00 0.00 C ATOM 1035 O ALA A 538 -4.184 13.576 8.292 1.00 0.00 O ATOM 1036 CB ALA A 538 -3.798 11.327 5.858 1.00 0.00 C ATOM 0 H ALA A 538 -2.201 13.445 6.889 1.00 0.00 H new ATOM 0 HA ALA A 538 -4.571 13.225 5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -4.773 10.840 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -3.287 11.101 4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -3.203 10.960 6.694 1.00 0.00 H new ATOM 1042 N ALA A 539 -6.105 13.082 7.203 1.00 0.00 N ATOM 1043 CA ALA A 539 -7.069 13.469 8.251 1.00 0.00 C ATOM 1044 C ALA A 539 -6.913 14.918 8.797 1.00 0.00 C ATOM 1045 O ALA A 539 -7.326 15.215 9.927 1.00 0.00 O ATOM 1046 CB ALA A 539 -7.070 12.384 9.343 1.00 0.00 C ATOM 0 H ALA A 539 -6.565 12.689 6.382 1.00 0.00 H new ATOM 0 HA ALA A 539 -8.056 13.516 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 539 -7.778 12.656 10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 539 -7.361 11.429 8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 539 -6.071 12.298 9.771 1.00 0.00 H new ATOM 1052 N SER A 540 -6.304 15.818 8.009 1.00 0.00 N ATOM 1053 CA SER A 540 -6.079 17.245 8.321 1.00 0.00 C ATOM 1054 C SER A 540 -7.345 18.115 8.275 1.00 0.00 C ATOM 1055 O SER A 540 -7.335 19.187 8.925 1.00 0.00 O ATOM 1056 CB SER A 540 -4.983 17.810 7.409 1.00 0.00 C ATOM 1057 OG SER A 540 -5.308 17.603 6.042 1.00 0.00 O ATOM 0 H SER A 540 -5.936 15.562 7.093 1.00 0.00 H new ATOM 0 HA SER A 540 -5.754 17.284 9.361 1.00 0.00 H new ATOM 0 HB2 SER A 540 -4.858 18.876 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 540 -4.031 17.331 7.638 1.00 0.00 H new ATOM 0 HG SER A 540 -4.597 17.972 5.477 1.00 0.00 H new TER 1063 SER A 540