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 Set 1.1: A 486 ASN : amide:sc= 0.841 K(o=1.8,f=-0.69) USER MOD Set 1.2: A 533 THR OG1 : rot -138:sc= 0.971 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 4:sc= 0.0661 USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 493 ASN : amide:sc= 1.46 K(o=1.5,f=-3.4!) 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 38:sc= 0.0502 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0 K(o=0,f=-0.53) 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+ 162:sc= 0.894 (180deg=0.686) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=0) 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 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 13.674 21.475 -14.094 1.00 0.00 N ATOM 2 CA GLY A 473 13.262 21.377 -12.675 1.00 0.00 C ATOM 3 C GLY A 473 13.538 19.996 -12.083 1.00 0.00 C ATOM 4 O GLY A 473 14.050 19.114 -12.783 1.00 0.00 O ATOM 0 HA2 GLY A 473 13.791 22.131 -12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 473 12.198 21.599 -12.592 1.00 0.00 H new ATOM 8 N PRO A 474 13.194 19.774 -10.799 1.00 0.00 N ATOM 9 CA PRO A 474 13.325 18.476 -10.130 1.00 0.00 C ATOM 10 C PRO A 474 12.309 17.435 -10.641 1.00 0.00 C ATOM 11 O PRO A 474 11.274 17.773 -11.224 1.00 0.00 O ATOM 12 CB PRO A 474 13.126 18.779 -8.640 1.00 0.00 C ATOM 13 CG PRO A 474 12.194 19.989 -8.643 1.00 0.00 C ATOM 14 CD PRO A 474 12.638 20.765 -9.882 1.00 0.00 C ATOM 0 HA PRO A 474 14.296 18.025 -10.333 1.00 0.00 H new ATOM 0 HB2 PRO A 474 12.684 17.933 -8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 474 14.072 19.002 -8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 474 11.147 19.692 -8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 474 12.301 20.583 -7.735 1.00 0.00 H new ATOM 0 HD2 PRO A 474 11.797 21.289 -10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 474 13.382 21.519 -9.624 1.00 0.00 H new ATOM 22 N LEU A 475 12.591 16.154 -10.371 1.00 0.00 N ATOM 23 CA LEU A 475 11.781 14.990 -10.780 1.00 0.00 C ATOM 24 C LEU A 475 10.979 14.384 -9.600 1.00 0.00 C ATOM 25 O LEU A 475 10.447 13.275 -9.703 1.00 0.00 O ATOM 26 CB LEU A 475 12.703 13.946 -11.463 1.00 0.00 C ATOM 27 CG LEU A 475 13.139 14.202 -12.922 1.00 0.00 C ATOM 28 CD1 LEU A 475 11.949 14.303 -13.879 1.00 0.00 C ATOM 29 CD2 LEU A 475 14.019 15.436 -13.112 1.00 0.00 C ATOM 0 H LEU A 475 13.420 15.885 -9.842 1.00 0.00 H new ATOM 0 HA LEU A 475 11.030 15.320 -11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 475 13.605 13.851 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 475 12.195 12.982 -11.431 1.00 0.00 H new ATOM 0 HG LEU A 475 13.739 13.324 -13.164 1.00 0.00 H new ATOM 0 HD11 LEU A 475 12.311 14.483 -14.891 1.00 0.00 H new ATOM 0 HD12 LEU A 475 11.384 13.371 -13.856 1.00 0.00 H new ATOM 0 HD13 LEU A 475 11.304 15.126 -13.572 1.00 0.00 H new ATOM 0 HD21 LEU A 475 14.278 15.539 -14.166 1.00 0.00 H new ATOM 0 HD22 LEU A 475 13.478 16.323 -12.783 1.00 0.00 H new ATOM 0 HD23 LEU A 475 14.930 15.327 -12.523 1.00 0.00 H new ATOM 41 N GLY A 476 10.898 15.088 -8.463 1.00 0.00 N ATOM 42 CA GLY A 476 10.192 14.637 -7.251 1.00 0.00 C ATOM 43 C GLY A 476 10.997 13.668 -6.370 1.00 0.00 C ATOM 44 O GLY A 476 10.419 12.957 -5.546 1.00 0.00 O ATOM 0 H GLY A 476 11.329 16.006 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 476 9.922 15.510 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 476 9.262 14.152 -7.547 1.00 0.00 H new ATOM 48 N SER A 477 12.325 13.622 -6.539 1.00 0.00 N ATOM 49 CA SER A 477 13.263 12.714 -5.841 1.00 0.00 C ATOM 50 C SER A 477 13.624 13.180 -4.411 1.00 0.00 C ATOM 51 O SER A 477 14.780 13.108 -3.982 1.00 0.00 O ATOM 52 CB SER A 477 14.517 12.512 -6.708 1.00 0.00 C ATOM 53 OG SER A 477 14.173 11.888 -7.938 1.00 0.00 O ATOM 0 H SER A 477 12.802 14.242 -7.194 1.00 0.00 H new ATOM 0 HA SER A 477 12.756 11.758 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 477 14.992 13.474 -6.901 1.00 0.00 H new ATOM 0 HB3 SER A 477 15.243 11.900 -6.173 1.00 0.00 H new ATOM 0 HG SER A 477 14.980 11.767 -8.480 1.00 0.00 H new ATOM 59 N GLY A 478 12.638 13.688 -3.665 1.00 0.00 N ATOM 60 CA GLY A 478 12.774 14.260 -2.317 1.00 0.00 C ATOM 61 C GLY A 478 12.689 13.219 -1.194 1.00 0.00 C ATOM 62 O GLY A 478 11.810 13.311 -0.334 1.00 0.00 O ATOM 0 H GLY A 478 11.675 13.714 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 478 13.730 14.780 -2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 478 11.994 15.006 -2.168 1.00 0.00 H new ATOM 66 N ALA A 479 13.563 12.206 -1.224 1.00 0.00 N ATOM 67 CA ALA A 479 13.676 11.130 -0.229 1.00 0.00 C ATOM 68 C ALA A 479 14.210 11.625 1.140 1.00 0.00 C ATOM 69 O ALA A 479 15.348 11.348 1.535 1.00 0.00 O ATOM 70 CB ALA A 479 14.516 9.992 -0.829 1.00 0.00 C ATOM 0 H ALA A 479 14.243 12.109 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 479 12.680 10.750 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 479 14.609 9.186 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 479 14.029 9.615 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 479 15.507 10.367 -1.083 1.00 0.00 H new ATOM 76 N LEU A 480 13.374 12.381 1.856 1.00 0.00 N ATOM 77 CA LEU A 480 13.631 13.012 3.156 1.00 0.00 C ATOM 78 C LEU A 480 12.496 12.676 4.142 1.00 0.00 C ATOM 79 O LEU A 480 11.415 12.234 3.732 1.00 0.00 O ATOM 80 CB LEU A 480 13.737 14.541 2.955 1.00 0.00 C ATOM 81 CG LEU A 480 14.901 15.013 2.060 1.00 0.00 C ATOM 82 CD1 LEU A 480 14.783 16.517 1.809 1.00 0.00 C ATOM 83 CD2 LEU A 480 16.269 14.743 2.688 1.00 0.00 C ATOM 0 H LEU A 480 12.432 12.584 1.520 1.00 0.00 H new ATOM 0 HA LEU A 480 14.565 12.634 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 480 12.802 14.899 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 480 13.839 15.012 3.933 1.00 0.00 H new ATOM 0 HG LEU A 480 14.830 14.449 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 480 15.607 16.846 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 480 13.837 16.730 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 480 14.821 17.049 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 480 17.053 15.094 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 480 16.343 15.269 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 480 16.388 13.672 2.855 1.00 0.00 H new ATOM 95 N LYS A 481 12.720 12.918 5.440 1.00 0.00 N ATOM 96 CA LYS A 481 11.735 12.683 6.509 1.00 0.00 C ATOM 97 C LYS A 481 11.593 13.943 7.359 1.00 0.00 C ATOM 98 O LYS A 481 12.544 14.414 7.986 1.00 0.00 O ATOM 99 CB LYS A 481 12.118 11.419 7.315 1.00 0.00 C ATOM 100 CG LYS A 481 10.927 10.737 8.021 1.00 0.00 C ATOM 101 CD LYS A 481 10.539 11.353 9.377 1.00 0.00 C ATOM 102 CE LYS A 481 9.244 10.753 9.950 1.00 0.00 C ATOM 103 NZ LYS A 481 9.392 9.319 10.331 1.00 0.00 N ATOM 0 H LYS A 481 13.605 13.289 5.785 1.00 0.00 H new ATOM 0 HA LYS A 481 10.750 12.482 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 481 12.588 10.701 6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 481 12.863 11.690 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 481 10.061 10.775 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 481 11.167 9.684 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 481 11.351 11.200 10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 481 10.416 12.430 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 481 8.939 11.327 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 481 8.447 10.848 9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 8.490 8.966 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 9.656 8.763 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 10.133 9.227 11.055 1.00 0.00 H new ATOM 117 N TRP A 482 10.384 14.494 7.368 1.00 0.00 N ATOM 118 CA TRP A 482 10.039 15.703 8.112 1.00 0.00 C ATOM 119 C TRP A 482 9.170 15.357 9.323 1.00 0.00 C ATOM 120 O TRP A 482 8.491 14.327 9.362 1.00 0.00 O ATOM 121 CB TRP A 482 9.360 16.714 7.175 1.00 0.00 C ATOM 122 CG TRP A 482 10.242 17.304 6.110 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.701 16.654 5.015 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.772 18.664 6.008 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.494 17.499 4.262 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.574 18.754 4.828 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.655 19.837 6.786 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.234 19.934 4.453 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.304 21.030 6.418 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.096 21.081 5.257 1.00 0.00 C ATOM 0 H TRP A 482 9.598 14.105 6.847 1.00 0.00 H new ATOM 0 HA TRP A 482 10.947 16.167 8.497 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.515 16.224 6.692 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.955 17.527 7.778 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.480 15.626 4.766 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.961 17.228 3.397 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.054 19.818 7.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.840 19.962 3.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.193 21.912 7.031 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.597 21.998 4.983 1.00 0.00 H new ATOM 141 N VAL A 483 9.188 16.249 10.308 1.00 0.00 N ATOM 142 CA VAL A 483 8.369 16.188 11.516 1.00 0.00 C ATOM 143 C VAL A 483 7.706 17.543 11.729 1.00 0.00 C ATOM 144 O VAL A 483 8.360 18.581 11.868 1.00 0.00 O ATOM 145 CB VAL A 483 9.153 15.722 12.761 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.441 14.219 12.687 1.00 0.00 C ATOM 147 CG2 VAL A 483 10.494 16.438 12.984 1.00 0.00 C ATOM 0 H VAL A 483 9.797 17.067 10.287 1.00 0.00 H new ATOM 0 HA VAL A 483 7.603 15.427 11.371 1.00 0.00 H new ATOM 0 HB VAL A 483 8.501 15.973 13.598 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.994 13.910 13.574 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.500 13.670 12.637 1.00 0.00 H new ATOM 0 HG13 VAL A 483 10.033 14.005 11.797 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.972 16.044 13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 483 11.143 16.271 12.124 1.00 0.00 H new ATOM 0 HG23 VAL A 483 10.320 17.507 13.105 1.00 0.00 H new ATOM 157 N LEU A 484 6.376 17.536 11.691 1.00 0.00 N ATOM 158 CA LEU A 484 5.566 18.679 12.086 1.00 0.00 C ATOM 159 C LEU A 484 5.582 18.785 13.621 1.00 0.00 C ATOM 160 O LEU A 484 5.634 17.776 14.333 1.00 0.00 O ATOM 161 CB LEU A 484 4.152 18.474 11.509 1.00 0.00 C ATOM 162 CG LEU A 484 3.239 19.715 11.509 1.00 0.00 C ATOM 163 CD1 LEU A 484 3.812 20.881 10.704 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.891 19.360 10.878 1.00 0.00 C ATOM 0 H LEU A 484 5.830 16.732 11.383 1.00 0.00 H new ATOM 0 HA LEU A 484 5.955 19.620 11.696 1.00 0.00 H new ATOM 0 HB2 LEU A 484 4.247 18.117 10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.660 17.685 12.077 1.00 0.00 H new ATOM 0 HG LEU A 484 3.143 20.020 12.551 1.00 0.00 H new ATOM 0 HD11 LEU A 484 3.122 21.724 10.743 1.00 0.00 H new ATOM 0 HD12 LEU A 484 4.772 21.178 11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 484 3.951 20.574 9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 484 1.246 20.239 10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 484 2.046 19.025 9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 484 1.419 18.563 11.453 1.00 0.00 H new ATOM 176 N CYS A 485 5.549 20.002 14.156 1.00 0.00 N ATOM 177 CA CYS A 485 5.302 20.198 15.582 1.00 0.00 C ATOM 178 C CYS A 485 3.810 19.968 15.920 1.00 0.00 C ATOM 179 O CYS A 485 2.937 20.154 15.069 1.00 0.00 O ATOM 180 CB CYS A 485 5.756 21.613 15.929 1.00 0.00 C ATOM 181 SG CYS A 485 6.044 21.761 17.709 1.00 0.00 S ATOM 0 H CYS A 485 5.689 20.863 13.628 1.00 0.00 H new ATOM 0 HA CYS A 485 5.860 19.475 16.177 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.669 21.853 15.385 1.00 0.00 H new ATOM 0 HB3 CYS A 485 5.000 22.332 15.615 1.00 0.00 H new ATOM 0 HG CYS A 485 5.878 20.602 18.273 1.00 0.00 H new ATOM 187 N ASN A 486 3.501 19.624 17.174 1.00 0.00 N ATOM 188 CA ASN A 486 2.129 19.483 17.689 1.00 0.00 C ATOM 189 C ASN A 486 1.840 20.402 18.896 1.00 0.00 C ATOM 190 O ASN A 486 0.669 20.663 19.185 1.00 0.00 O ATOM 191 CB ASN A 486 1.852 17.999 18.026 1.00 0.00 C ATOM 192 CG ASN A 486 0.957 17.292 17.016 1.00 0.00 C ATOM 193 OD1 ASN A 486 1.072 17.438 15.807 1.00 0.00 O ATOM 194 ND2 ASN A 486 0.038 16.469 17.472 1.00 0.00 N ATOM 0 H ASN A 486 4.213 19.430 17.879 1.00 0.00 H new ATOM 0 HA ASN A 486 1.446 19.807 16.904 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.802 17.468 18.089 1.00 0.00 H new ATOM 0 HB3 ASN A 486 1.388 17.941 19.011 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.564 15.965 16.821 1.00 0.00 H new ATOM 0 HD22 ASN A 486 -0.073 16.334 18.477 1.00 0.00 H new ATOM 201 N TYR A 487 2.876 20.923 19.567 1.00 0.00 N ATOM 202 CA TYR A 487 2.773 21.803 20.741 1.00 0.00 C ATOM 203 C TYR A 487 3.973 22.764 20.794 1.00 0.00 C ATOM 204 O TYR A 487 5.120 22.324 20.714 1.00 0.00 O ATOM 205 CB TYR A 487 2.758 20.959 22.029 1.00 0.00 C ATOM 206 CG TYR A 487 1.631 19.945 22.136 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.369 20.337 22.627 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.842 18.612 21.731 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.681 19.400 22.699 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.796 17.673 21.799 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.474 18.068 22.280 1.00 0.00 C ATOM 212 OH TYR A 487 -1.496 17.171 22.341 1.00 0.00 O ATOM 0 H TYR A 487 3.843 20.738 19.299 1.00 0.00 H new ATOM 0 HA TYR A 487 1.849 22.376 20.661 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.708 20.430 22.106 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.698 21.633 22.883 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.207 21.355 22.948 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.812 18.309 21.366 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.647 19.702 23.076 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.963 16.653 21.485 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.187 16.300 22.015 1.00 0.00 H new ATOM 222 N ASP A 488 3.726 24.069 20.958 1.00 0.00 N ATOM 223 CA ASP A 488 4.788 25.071 21.153 1.00 0.00 C ATOM 224 C ASP A 488 5.743 24.704 22.311 1.00 0.00 C ATOM 225 O ASP A 488 5.326 24.223 23.371 1.00 0.00 O ATOM 226 CB ASP A 488 4.154 26.459 21.345 1.00 0.00 C ATOM 227 CG ASP A 488 5.082 27.481 22.031 1.00 0.00 C ATOM 228 OD1 ASP A 488 5.862 28.168 21.333 1.00 0.00 O ATOM 229 OD2 ASP A 488 5.014 27.619 23.277 1.00 0.00 O ATOM 0 H ASP A 488 2.785 24.463 20.960 1.00 0.00 H new ATOM 0 HA ASP A 488 5.410 25.089 20.258 1.00 0.00 H new ATOM 0 HB2 ASP A 488 3.857 26.849 20.372 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.245 26.354 21.937 1.00 0.00 H new ATOM 234 N PHE A 489 7.030 24.971 22.093 1.00 0.00 N ATOM 235 CA PHE A 489 8.130 24.727 23.023 1.00 0.00 C ATOM 236 C PHE A 489 9.179 25.833 22.864 1.00 0.00 C ATOM 237 O PHE A 489 9.986 25.813 21.933 1.00 0.00 O ATOM 238 CB PHE A 489 8.726 23.334 22.763 1.00 0.00 C ATOM 239 CG PHE A 489 9.821 22.925 23.734 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.490 22.316 24.960 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.174 23.153 23.412 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.505 21.950 25.865 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.187 22.776 24.313 1.00 0.00 C ATOM 244 CZ PHE A 489 11.853 22.188 25.543 1.00 0.00 C ATOM 0 H PHE A 489 7.349 25.385 21.217 1.00 0.00 H new ATOM 0 HA PHE A 489 7.769 24.747 24.051 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.925 22.596 22.807 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.128 23.308 21.750 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.455 22.129 25.207 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.434 23.618 22.472 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.248 21.487 26.806 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.224 22.939 24.058 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.631 21.918 26.242 1.00 0.00 H new ATOM 254 N GLN A 490 9.143 26.833 23.748 1.00 0.00 N ATOM 255 CA GLN A 490 10.164 27.888 23.823 1.00 0.00 C ATOM 256 C GLN A 490 11.460 27.330 24.447 1.00 0.00 C ATOM 257 O GLN A 490 11.402 26.621 25.456 1.00 0.00 O ATOM 258 CB GLN A 490 9.608 29.064 24.644 1.00 0.00 C ATOM 259 CG GLN A 490 10.465 30.335 24.497 1.00 0.00 C ATOM 260 CD GLN A 490 9.944 31.521 25.316 1.00 0.00 C ATOM 261 OE1 GLN A 490 9.139 31.402 26.233 1.00 0.00 O ATOM 262 NE2 GLN A 490 10.390 32.726 25.020 1.00 0.00 N ATOM 0 H GLN A 490 8.400 26.937 24.439 1.00 0.00 H new ATOM 0 HA GLN A 490 10.408 28.243 22.822 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.588 29.277 24.325 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.560 28.780 25.695 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.487 30.112 24.804 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.503 30.619 23.445 1.00 0.00 H new ATOM 0 HE21 GLN A 490 11.060 32.850 24.261 1.00 0.00 H new ATOM 0 HE22 GLN A 490 10.065 33.535 25.550 1.00 0.00 H new ATOM 271 N ALA A 491 12.629 27.656 23.870 1.00 0.00 N ATOM 272 CA ALA A 491 13.915 27.106 24.319 1.00 0.00 C ATOM 273 C ALA A 491 15.090 28.103 24.165 1.00 0.00 C ATOM 274 O ALA A 491 15.607 28.599 25.168 1.00 0.00 O ATOM 275 CB ALA A 491 14.133 25.786 23.575 1.00 0.00 C ATOM 0 H ALA A 491 12.707 28.303 23.085 1.00 0.00 H new ATOM 0 HA ALA A 491 13.884 26.918 25.392 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.082 25.347 23.884 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.321 25.098 23.810 1.00 0.00 H new ATOM 0 HB3 ALA A 491 14.152 25.972 22.501 1.00 0.00 H new ATOM 281 N ARG A 492 15.477 28.426 22.914 1.00 0.00 N ATOM 282 CA ARG A 492 16.572 29.343 22.499 1.00 0.00 C ATOM 283 C ARG A 492 17.911 29.184 23.253 1.00 0.00 C ATOM 284 O ARG A 492 18.687 30.138 23.369 1.00 0.00 O ATOM 285 CB ARG A 492 16.064 30.802 22.488 1.00 0.00 C ATOM 286 CG ARG A 492 14.928 31.034 21.477 1.00 0.00 C ATOM 287 CD ARG A 492 14.597 32.525 21.282 1.00 0.00 C ATOM 288 NE ARG A 492 15.750 33.301 20.773 1.00 0.00 N ATOM 289 CZ ARG A 492 16.232 33.319 19.542 1.00 0.00 C ATOM 290 NH1 ARG A 492 15.667 32.677 18.557 1.00 0.00 N ATOM 291 NH2 ARG A 492 17.317 33.993 19.276 1.00 0.00 N ATOM 0 H ARG A 492 15.002 28.027 22.105 1.00 0.00 H new ATOM 0 HA ARG A 492 16.837 29.043 21.485 1.00 0.00 H new ATOM 0 HB2 ARG A 492 15.715 31.067 23.486 1.00 0.00 H new ATOM 0 HB3 ARG A 492 16.894 31.468 22.253 1.00 0.00 H new ATOM 0 HG2 ARG A 492 15.208 30.600 20.517 1.00 0.00 H new ATOM 0 HG3 ARG A 492 14.034 30.509 21.815 1.00 0.00 H new ATOM 0 HD2 ARG A 492 13.764 32.621 20.586 1.00 0.00 H new ATOM 0 HD3 ARG A 492 14.269 32.948 22.232 1.00 0.00 H new ATOM 0 HE ARG A 492 16.229 33.892 21.452 1.00 0.00 H new ATOM 0 HH11 ARG A 492 14.819 32.134 18.722 1.00 0.00 H new ATOM 0 HH12 ARG A 492 16.073 32.718 17.622 1.00 0.00 H new ATOM 0 HH21 ARG A 492 17.793 34.506 20.018 1.00 0.00 H new ATOM 0 HH22 ARG A 492 17.689 34.007 18.326 1.00 0.00 H new ATOM 305 N ASN A 493 18.187 27.991 23.781 1.00 0.00 N ATOM 306 CA ASN A 493 19.409 27.680 24.530 1.00 0.00 C ATOM 307 C ASN A 493 20.620 27.444 23.589 1.00 0.00 C ATOM 308 O ASN A 493 20.486 27.412 22.365 1.00 0.00 O ATOM 309 CB ASN A 493 19.098 26.472 25.444 1.00 0.00 C ATOM 310 CG ASN A 493 20.051 26.266 26.614 1.00 0.00 C ATOM 311 OD1 ASN A 493 20.973 27.032 26.866 1.00 0.00 O ATOM 312 ND2 ASN A 493 19.861 25.206 27.363 1.00 0.00 N ATOM 0 H ASN A 493 17.554 27.195 23.699 1.00 0.00 H new ATOM 0 HA ASN A 493 19.707 28.527 25.148 1.00 0.00 H new ATOM 0 HB2 ASN A 493 18.088 26.588 25.838 1.00 0.00 H new ATOM 0 HB3 ASN A 493 19.100 25.569 24.834 1.00 0.00 H new ATOM 0 HD21 ASN A 493 20.480 25.022 28.152 1.00 0.00 H new ATOM 0 HD22 ASN A 493 19.094 24.566 27.156 1.00 0.00 H new ATOM 319 N SER A 494 21.810 27.220 24.157 1.00 0.00 N ATOM 320 CA SER A 494 23.038 26.839 23.433 1.00 0.00 C ATOM 321 C SER A 494 22.907 25.526 22.624 1.00 0.00 C ATOM 322 O SER A 494 23.623 25.324 21.639 1.00 0.00 O ATOM 323 CB SER A 494 24.183 26.739 24.450 1.00 0.00 C ATOM 324 OG SER A 494 25.453 26.674 23.821 1.00 0.00 O ATOM 0 H SER A 494 21.954 27.300 25.164 1.00 0.00 H new ATOM 0 HA SER A 494 23.239 27.611 22.690 1.00 0.00 H new ATOM 0 HB2 SER A 494 24.152 27.602 25.115 1.00 0.00 H new ATOM 0 HB3 SER A 494 24.040 25.854 25.070 1.00 0.00 H new ATOM 0 HG SER A 494 26.153 26.613 24.504 1.00 0.00 H new ATOM 330 N SER A 495 21.955 24.658 22.997 1.00 0.00 N ATOM 331 CA SER A 495 21.648 23.367 22.349 1.00 0.00 C ATOM 332 C SER A 495 20.138 23.106 22.190 1.00 0.00 C ATOM 333 O SER A 495 19.712 21.964 22.033 1.00 0.00 O ATOM 334 CB SER A 495 22.331 22.213 23.103 1.00 0.00 C ATOM 335 OG SER A 495 22.086 22.280 24.504 1.00 0.00 O ATOM 0 H SER A 495 21.348 24.842 23.796 1.00 0.00 H new ATOM 0 HA SER A 495 22.050 23.423 21.337 1.00 0.00 H new ATOM 0 HB2 SER A 495 21.969 21.261 22.716 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.405 22.244 22.920 1.00 0.00 H new ATOM 0 HG SER A 495 22.533 21.531 24.950 1.00 0.00 H new ATOM 341 N GLU A 496 19.299 24.147 22.203 1.00 0.00 N ATOM 342 CA GLU A 496 17.846 24.025 21.996 1.00 0.00 C ATOM 343 C GLU A 496 17.321 25.156 21.096 1.00 0.00 C ATOM 344 O GLU A 496 17.919 26.230 21.008 1.00 0.00 O ATOM 345 CB GLU A 496 17.080 24.034 23.332 1.00 0.00 C ATOM 346 CG GLU A 496 17.504 22.982 24.364 1.00 0.00 C ATOM 347 CD GLU A 496 16.855 23.234 25.739 1.00 0.00 C ATOM 348 OE1 GLU A 496 15.624 23.047 25.889 1.00 0.00 O ATOM 349 OE2 GLU A 496 17.588 23.615 26.688 1.00 0.00 O ATOM 0 H GLU A 496 19.608 25.107 22.358 1.00 0.00 H new ATOM 0 HA GLU A 496 17.674 23.067 21.505 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.190 25.020 23.783 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.020 23.897 23.120 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.226 21.990 24.007 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.589 22.991 24.467 1.00 0.00 H new ATOM 356 N LEU A 497 16.168 24.935 20.461 1.00 0.00 N ATOM 357 CA LEU A 497 15.534 25.887 19.546 1.00 0.00 C ATOM 358 C LEU A 497 14.042 26.011 19.875 1.00 0.00 C ATOM 359 O LEU A 497 13.348 25.008 20.042 1.00 0.00 O ATOM 360 CB LEU A 497 15.768 25.403 18.100 1.00 0.00 C ATOM 361 CG LEU A 497 15.228 26.385 17.041 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.306 27.376 16.596 1.00 0.00 C ATOM 363 CD2 LEU A 497 14.682 25.625 15.840 1.00 0.00 C ATOM 0 H LEU A 497 15.638 24.071 20.571 1.00 0.00 H new ATOM 0 HA LEU A 497 15.971 26.879 19.656 1.00 0.00 H new ATOM 0 HB2 LEU A 497 16.836 25.256 17.940 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.289 24.433 17.965 1.00 0.00 H new ATOM 0 HG LEU A 497 14.418 26.953 17.498 1.00 0.00 H new ATOM 0 HD11 LEU A 497 15.892 28.053 15.849 1.00 0.00 H new ATOM 0 HD12 LEU A 497 16.650 27.950 17.456 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.146 26.831 16.165 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.305 26.333 15.102 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.478 25.027 15.396 1.00 0.00 H new ATOM 0 HD23 LEU A 497 13.872 24.970 16.161 1.00 0.00 H new ATOM 375 N SER A 498 13.551 27.252 19.960 1.00 0.00 N ATOM 376 CA SER A 498 12.115 27.526 20.052 1.00 0.00 C ATOM 377 C SER A 498 11.381 27.031 18.800 1.00 0.00 C ATOM 378 O SER A 498 11.716 27.434 17.682 1.00 0.00 O ATOM 379 CB SER A 498 11.852 29.027 20.257 1.00 0.00 C ATOM 380 OG SER A 498 12.580 29.825 19.337 1.00 0.00 O ATOM 0 H SER A 498 14.134 28.089 19.967 1.00 0.00 H new ATOM 0 HA SER A 498 11.732 26.985 20.917 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.786 29.227 20.146 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.124 29.307 21.275 1.00 0.00 H new ATOM 0 HG SER A 498 12.607 29.377 18.466 1.00 0.00 H new ATOM 386 N VAL A 499 10.348 26.211 18.992 1.00 0.00 N ATOM 387 CA VAL A 499 9.458 25.729 17.923 1.00 0.00 C ATOM 388 C VAL A 499 7.999 26.007 18.271 1.00 0.00 C ATOM 389 O VAL A 499 7.611 26.017 19.442 1.00 0.00 O ATOM 390 CB VAL A 499 9.657 24.232 17.597 1.00 0.00 C ATOM 391 CG1 VAL A 499 11.051 23.958 17.022 1.00 0.00 C ATOM 392 CG2 VAL A 499 9.432 23.303 18.795 1.00 0.00 C ATOM 0 H VAL A 499 10.097 25.853 19.913 1.00 0.00 H new ATOM 0 HA VAL A 499 9.728 26.284 17.025 1.00 0.00 H new ATOM 0 HB VAL A 499 8.893 24.010 16.852 1.00 0.00 H new ATOM 0 HG11 VAL A 499 11.153 22.895 16.806 1.00 0.00 H new ATOM 0 HG12 VAL A 499 11.185 24.530 16.104 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.809 24.255 17.747 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.590 22.269 18.488 1.00 0.00 H new ATOM 0 HG22 VAL A 499 10.134 23.557 19.589 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.412 23.421 19.161 1.00 0.00 H new ATOM 402 N LYS A 500 7.188 26.232 17.236 1.00 0.00 N ATOM 403 CA LYS A 500 5.765 26.595 17.331 1.00 0.00 C ATOM 404 C LYS A 500 4.916 25.431 16.842 1.00 0.00 C ATOM 405 O LYS A 500 5.359 24.652 16.003 1.00 0.00 O ATOM 406 CB LYS A 500 5.497 27.844 16.461 1.00 0.00 C ATOM 407 CG LYS A 500 6.359 29.064 16.821 1.00 0.00 C ATOM 408 CD LYS A 500 5.930 29.727 18.138 1.00 0.00 C ATOM 409 CE LYS A 500 6.985 30.701 18.680 1.00 0.00 C ATOM 410 NZ LYS A 500 7.144 31.914 17.830 1.00 0.00 N ATOM 0 H LYS A 500 7.512 26.165 16.271 1.00 0.00 H new ATOM 0 HA LYS A 500 5.508 26.817 18.367 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.670 27.588 15.416 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.446 28.117 16.553 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.402 28.757 16.897 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.300 29.795 16.015 1.00 0.00 H new ATOM 0 HD2 LYS A 500 4.993 30.262 17.983 1.00 0.00 H new ATOM 0 HD3 LYS A 500 5.737 28.955 18.883 1.00 0.00 H new ATOM 0 HE2 LYS A 500 6.708 31.005 19.689 1.00 0.00 H new ATOM 0 HE3 LYS A 500 7.943 30.187 18.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 7.868 32.535 18.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 7.436 31.631 16.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 6.239 32.424 17.779 1.00 0.00 H new ATOM 424 N GLN A 501 3.662 25.373 17.285 1.00 0.00 N ATOM 425 CA GLN A 501 2.699 24.320 16.918 1.00 0.00 C ATOM 426 C GLN A 501 2.475 24.182 15.395 1.00 0.00 C ATOM 427 O GLN A 501 2.056 23.124 14.926 1.00 0.00 O ATOM 428 CB GLN A 501 1.388 24.591 17.683 1.00 0.00 C ATOM 429 CG GLN A 501 0.242 23.621 17.340 1.00 0.00 C ATOM 430 CD GLN A 501 -0.983 23.751 18.247 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.012 24.468 19.242 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.063 23.069 17.925 1.00 0.00 N ATOM 0 H GLN A 501 3.272 26.068 17.922 1.00 0.00 H new ATOM 0 HA GLN A 501 3.111 23.353 17.208 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.587 24.535 18.753 1.00 0.00 H new ATOM 0 HB3 GLN A 501 1.062 25.609 17.472 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.065 23.790 16.308 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.616 22.599 17.398 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.059 22.467 17.101 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -2.903 23.143 18.499 1.00 0.00 H new ATOM 441 N ARG A 502 2.794 25.226 14.617 1.00 0.00 N ATOM 442 CA ARG A 502 2.633 25.283 13.152 1.00 0.00 C ATOM 443 C ARG A 502 3.968 25.354 12.392 1.00 0.00 C ATOM 444 O ARG A 502 3.984 25.652 11.196 1.00 0.00 O ATOM 445 CB ARG A 502 1.667 26.437 12.804 1.00 0.00 C ATOM 446 CG ARG A 502 0.285 26.334 13.481 1.00 0.00 C ATOM 447 CD ARG A 502 -0.457 25.043 13.111 1.00 0.00 C ATOM 448 NE ARG A 502 -1.770 24.948 13.779 1.00 0.00 N ATOM 449 CZ ARG A 502 -2.652 23.975 13.620 1.00 0.00 C ATOM 450 NH1 ARG A 502 -2.447 22.978 12.803 1.00 0.00 N ATOM 451 NH2 ARG A 502 -3.771 23.983 14.287 1.00 0.00 N ATOM 0 H ARG A 502 3.185 26.086 15.001 1.00 0.00 H new ATOM 0 HA ARG A 502 2.195 24.345 12.812 1.00 0.00 H new ATOM 0 HB2 ARG A 502 2.130 27.381 13.091 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.528 26.465 11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 502 0.410 26.380 14.563 1.00 0.00 H new ATOM 0 HG3 ARG A 502 -0.322 27.193 13.193 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -0.596 25.002 12.031 1.00 0.00 H new ATOM 0 HD3 ARG A 502 0.153 24.183 13.387 1.00 0.00 H new ATOM 0 HE ARG A 502 -2.020 25.700 14.421 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -1.584 22.932 12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -3.150 22.245 12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 502 -3.972 24.743 14.937 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -4.446 23.229 14.159 1.00 0.00 H new ATOM 465 N ASP A 503 5.085 25.068 13.065 1.00 0.00 N ATOM 466 CA ASP A 503 6.418 24.966 12.453 1.00 0.00 C ATOM 467 C ASP A 503 6.701 23.532 11.954 1.00 0.00 C ATOM 468 O ASP A 503 6.316 22.552 12.602 1.00 0.00 O ATOM 469 CB ASP A 503 7.466 25.416 13.485 1.00 0.00 C ATOM 470 CG ASP A 503 8.853 25.711 12.886 1.00 0.00 C ATOM 471 OD1 ASP A 503 8.968 25.930 11.656 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.827 25.786 13.673 1.00 0.00 O ATOM 0 H ASP A 503 5.092 24.897 14.071 1.00 0.00 H new ATOM 0 HA ASP A 503 6.466 25.615 11.578 1.00 0.00 H new ATOM 0 HB2 ASP A 503 7.102 26.311 13.989 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.568 24.641 14.245 1.00 0.00 H new ATOM 477 N VAL A 504 7.393 23.404 10.816 1.00 0.00 N ATOM 478 CA VAL A 504 7.724 22.128 10.153 1.00 0.00 C ATOM 479 C VAL A 504 9.230 22.038 9.893 1.00 0.00 C ATOM 480 O VAL A 504 9.842 22.977 9.378 1.00 0.00 O ATOM 481 CB VAL A 504 6.881 21.927 8.873 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.157 22.930 7.744 1.00 0.00 C ATOM 483 CG2 VAL A 504 7.023 20.505 8.314 1.00 0.00 C ATOM 0 H VAL A 504 7.753 24.213 10.310 1.00 0.00 H new ATOM 0 HA VAL A 504 7.464 21.306 10.820 1.00 0.00 H new ATOM 0 HB VAL A 504 5.861 22.106 9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.516 22.704 6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 504 6.949 23.940 8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.202 22.859 7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.415 20.405 7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.068 20.313 8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.687 19.785 9.061 1.00 0.00 H new ATOM 493 N LEU A 505 9.838 20.921 10.305 1.00 0.00 N ATOM 494 CA LEU A 505 11.292 20.763 10.398 1.00 0.00 C ATOM 495 C LEU A 505 11.732 19.381 9.884 1.00 0.00 C ATOM 496 O LEU A 505 10.944 18.434 9.865 1.00 0.00 O ATOM 497 CB LEU A 505 11.763 20.975 11.855 1.00 0.00 C ATOM 498 CG LEU A 505 11.266 22.260 12.560 1.00 0.00 C ATOM 499 CD1 LEU A 505 9.987 22.022 13.374 1.00 0.00 C ATOM 500 CD2 LEU A 505 12.310 22.783 13.546 1.00 0.00 C ATOM 0 H LEU A 505 9.324 20.087 10.588 1.00 0.00 H new ATOM 0 HA LEU A 505 11.757 21.520 9.766 1.00 0.00 H new ATOM 0 HB2 LEU A 505 11.443 20.116 12.445 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.853 20.980 11.864 1.00 0.00 H new ATOM 0 HG LEU A 505 11.076 22.975 11.759 1.00 0.00 H new ATOM 0 HD11 LEU A 505 9.679 22.954 13.849 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.194 21.673 12.712 1.00 0.00 H new ATOM 0 HD13 LEU A 505 10.178 21.270 14.140 1.00 0.00 H new ATOM 0 HD21 LEU A 505 11.935 23.686 14.027 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.508 22.024 14.303 1.00 0.00 H new ATOM 0 HD23 LEU A 505 13.232 23.012 13.012 1.00 0.00 H new ATOM 512 N GLU A 506 12.994 19.247 9.482 1.00 0.00 N ATOM 513 CA GLU A 506 13.531 18.011 8.887 1.00 0.00 C ATOM 514 C GLU A 506 14.417 17.293 9.917 1.00 0.00 C ATOM 515 O GLU A 506 15.314 17.916 10.496 1.00 0.00 O ATOM 516 CB GLU A 506 14.252 18.358 7.572 1.00 0.00 C ATOM 517 CG GLU A 506 14.343 17.203 6.557 1.00 0.00 C ATOM 518 CD GLU A 506 15.526 16.232 6.765 1.00 0.00 C ATOM 519 OE1 GLU A 506 16.633 16.678 7.156 1.00 0.00 O ATOM 520 OE2 GLU A 506 15.379 15.027 6.443 1.00 0.00 O ATOM 0 H GLU A 506 13.683 19.995 9.558 1.00 0.00 H new ATOM 0 HA GLU A 506 12.735 17.312 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.736 19.195 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.261 18.696 7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 506 13.415 16.633 6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.414 17.627 5.555 1.00 0.00 H new ATOM 527 N VAL A 507 14.116 16.022 10.225 1.00 0.00 N ATOM 528 CA VAL A 507 14.804 15.288 11.305 1.00 0.00 C ATOM 529 C VAL A 507 16.181 14.786 10.861 1.00 0.00 C ATOM 530 O VAL A 507 16.338 14.134 9.825 1.00 0.00 O ATOM 531 CB VAL A 507 13.931 14.184 11.944 1.00 0.00 C ATOM 532 CG1 VAL A 507 13.361 13.146 10.975 1.00 0.00 C ATOM 533 CG2 VAL A 507 14.680 13.447 13.059 1.00 0.00 C ATOM 0 H VAL A 507 13.400 15.478 9.742 1.00 0.00 H new ATOM 0 HA VAL A 507 14.978 16.006 12.107 1.00 0.00 H new ATOM 0 HB VAL A 507 13.082 14.739 12.342 1.00 0.00 H new ATOM 0 HG11 VAL A 507 12.766 12.420 11.529 1.00 0.00 H new ATOM 0 HG12 VAL A 507 12.732 13.644 10.237 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.179 12.634 10.468 1.00 0.00 H new ATOM 0 HG21 VAL A 507 14.035 12.678 13.484 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.577 12.982 12.649 1.00 0.00 H new ATOM 0 HG23 VAL A 507 14.962 14.156 13.838 1.00 0.00 H new ATOM 543 N LEU A 508 17.185 15.095 11.683 1.00 0.00 N ATOM 544 CA LEU A 508 18.604 14.819 11.448 1.00 0.00 C ATOM 545 C LEU A 508 19.118 13.648 12.300 1.00 0.00 C ATOM 546 O LEU A 508 19.989 12.896 11.860 1.00 0.00 O ATOM 547 CB LEU A 508 19.401 16.087 11.796 1.00 0.00 C ATOM 548 CG LEU A 508 19.084 17.326 10.940 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.779 18.531 11.570 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.557 17.170 9.494 1.00 0.00 C ATOM 0 H LEU A 508 17.024 15.567 12.573 1.00 0.00 H new ATOM 0 HA LEU A 508 18.733 14.540 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.219 16.334 12.842 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.464 15.864 11.701 1.00 0.00 H new ATOM 0 HG LEU A 508 18.002 17.458 10.914 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.568 19.422 10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.411 18.673 12.586 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.855 18.358 11.595 1.00 0.00 H new ATOM 0 HD21 LEU A 508 19.310 18.070 8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.636 17.017 9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 508 19.062 16.311 9.040 1.00 0.00 H new ATOM 562 N ASP A 509 18.567 13.481 13.507 1.00 0.00 N ATOM 563 CA ASP A 509 18.883 12.389 14.433 1.00 0.00 C ATOM 564 C ASP A 509 17.681 12.105 15.353 1.00 0.00 C ATOM 565 O ASP A 509 17.095 13.020 15.935 1.00 0.00 O ATOM 566 CB ASP A 509 20.131 12.759 15.256 1.00 0.00 C ATOM 567 CG ASP A 509 20.646 11.627 16.165 1.00 0.00 C ATOM 568 OD1 ASP A 509 20.282 10.442 15.965 1.00 0.00 O ATOM 569 OD2 ASP A 509 21.447 11.924 17.084 1.00 0.00 O ATOM 0 H ASP A 509 17.866 14.123 13.878 1.00 0.00 H new ATOM 0 HA ASP A 509 19.093 11.482 13.866 1.00 0.00 H new ATOM 0 HB2 ASP A 509 20.928 13.053 14.574 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.902 13.629 15.872 1.00 0.00 H new ATOM 574 N ASP A 510 17.332 10.826 15.492 1.00 0.00 N ATOM 575 CA ASP A 510 16.170 10.314 16.233 1.00 0.00 C ATOM 576 C ASP A 510 16.533 9.138 17.176 1.00 0.00 C ATOM 577 O ASP A 510 15.658 8.463 17.725 1.00 0.00 O ATOM 578 CB ASP A 510 15.059 9.954 15.229 1.00 0.00 C ATOM 579 CG ASP A 510 15.498 8.926 14.172 1.00 0.00 C ATOM 580 OD1 ASP A 510 15.576 7.713 14.489 1.00 0.00 O ATOM 581 OD2 ASP A 510 15.758 9.316 13.009 1.00 0.00 O ATOM 0 H ASP A 510 17.879 10.076 15.070 1.00 0.00 H new ATOM 0 HA ASP A 510 15.802 11.096 16.898 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.201 9.560 15.774 1.00 0.00 H new ATOM 0 HB3 ASP A 510 14.727 10.862 14.726 1.00 0.00 H new ATOM 586 N SER A 511 17.837 8.899 17.385 1.00 0.00 N ATOM 587 CA SER A 511 18.389 7.822 18.227 1.00 0.00 C ATOM 588 C SER A 511 18.108 7.977 19.739 1.00 0.00 C ATOM 589 O SER A 511 18.192 7.001 20.492 1.00 0.00 O ATOM 590 CB SER A 511 19.901 7.742 17.967 1.00 0.00 C ATOM 591 OG SER A 511 20.465 6.544 18.479 1.00 0.00 O ATOM 0 H SER A 511 18.565 9.471 16.957 1.00 0.00 H new ATOM 0 HA SER A 511 17.882 6.899 17.945 1.00 0.00 H new ATOM 0 HB2 SER A 511 20.088 7.802 16.895 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.394 8.600 18.425 1.00 0.00 H new ATOM 0 HG SER A 511 21.427 6.530 18.293 1.00 0.00 H new ATOM 597 N ARG A 512 17.731 9.184 20.192 1.00 0.00 N ATOM 598 CA ARG A 512 17.405 9.533 21.593 1.00 0.00 C ATOM 599 C ARG A 512 16.041 10.226 21.708 1.00 0.00 C ATOM 600 O ARG A 512 15.450 10.598 20.696 1.00 0.00 O ATOM 601 CB ARG A 512 18.521 10.426 22.178 1.00 0.00 C ATOM 602 CG ARG A 512 19.885 9.723 22.253 1.00 0.00 C ATOM 603 CD ARG A 512 20.876 10.572 23.060 1.00 0.00 C ATOM 604 NE ARG A 512 22.176 9.889 23.215 1.00 0.00 N ATOM 605 CZ ARG A 512 23.099 10.141 24.129 1.00 0.00 C ATOM 606 NH1 ARG A 512 22.961 11.083 25.024 1.00 0.00 N ATOM 607 NH2 ARG A 512 24.197 9.442 24.166 1.00 0.00 N ATOM 0 H ARG A 512 17.640 9.984 19.565 1.00 0.00 H new ATOM 0 HA ARG A 512 17.342 8.608 22.167 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.616 11.324 21.567 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.231 10.750 23.178 1.00 0.00 H new ATOM 0 HG2 ARG A 512 19.772 8.743 22.717 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.272 9.557 21.248 1.00 0.00 H new ATOM 0 HD2 ARG A 512 21.025 11.530 22.562 1.00 0.00 H new ATOM 0 HD3 ARG A 512 20.457 10.785 24.043 1.00 0.00 H new ATOM 0 HE ARG A 512 22.384 9.146 22.548 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.117 11.656 25.035 1.00 0.00 H new ATOM 0 HH12 ARG A 512 23.697 11.245 25.712 1.00 0.00 H new ATOM 0 HH21 ARG A 512 24.349 8.695 23.488 1.00 0.00 H new ATOM 0 HH22 ARG A 512 24.905 9.641 24.873 1.00 0.00 H new ATOM 621 N LYS A 513 15.550 10.432 22.941 1.00 0.00 N ATOM 622 CA LYS A 513 14.269 11.122 23.233 1.00 0.00 C ATOM 623 C LYS A 513 14.218 12.550 22.679 1.00 0.00 C ATOM 624 O LYS A 513 13.170 13.007 22.225 1.00 0.00 O ATOM 625 CB LYS A 513 14.011 11.174 24.750 1.00 0.00 C ATOM 626 CG LYS A 513 13.973 9.796 25.426 1.00 0.00 C ATOM 627 CD LYS A 513 13.552 9.949 26.897 1.00 0.00 C ATOM 628 CE LYS A 513 13.650 8.632 27.677 1.00 0.00 C ATOM 629 NZ LYS A 513 15.057 8.285 28.022 1.00 0.00 N ATOM 0 H LYS A 513 16.036 10.121 23.782 1.00 0.00 H new ATOM 0 HA LYS A 513 13.496 10.538 22.734 1.00 0.00 H new ATOM 0 HB2 LYS A 513 14.789 11.776 25.220 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.063 11.681 24.930 1.00 0.00 H new ATOM 0 HG2 LYS A 513 13.273 9.144 24.904 1.00 0.00 H new ATOM 0 HG3 LYS A 513 14.954 9.324 25.366 1.00 0.00 H new ATOM 0 HD2 LYS A 513 14.182 10.699 27.376 1.00 0.00 H new ATOM 0 HD3 LYS A 513 12.527 10.318 26.942 1.00 0.00 H new ATOM 0 HE2 LYS A 513 13.062 8.709 28.592 1.00 0.00 H new ATOM 0 HE3 LYS A 513 13.214 7.828 27.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 15.074 7.388 28.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 15.614 8.185 27.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 15.466 9.039 28.610 1.00 0.00 H new ATOM 643 N TRP A 514 15.354 13.245 22.709 1.00 0.00 N ATOM 644 CA TRP A 514 15.532 14.577 22.137 1.00 0.00 C ATOM 645 C TRP A 514 15.930 14.452 20.660 1.00 0.00 C ATOM 646 O TRP A 514 17.096 14.198 20.340 1.00 0.00 O ATOM 647 CB TRP A 514 16.559 15.357 22.967 1.00 0.00 C ATOM 648 CG TRP A 514 16.107 15.679 24.361 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.175 14.852 25.430 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.485 16.906 24.852 1.00 0.00 C ATOM 651 NE1 TRP A 514 15.618 15.469 26.535 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.166 16.737 26.234 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.160 18.151 24.270 1.00 0.00 C ATOM 654 CZ2 TRP A 514 14.540 17.739 26.991 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.539 19.168 25.019 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.221 18.962 26.375 1.00 0.00 C ATOM 0 H TRP A 514 16.202 12.884 23.146 1.00 0.00 H new ATOM 0 HA TRP A 514 14.598 15.138 22.171 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.481 14.778 23.021 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.796 16.287 22.450 1.00 0.00 H new ATOM 0 HD1 TRP A 514 16.600 13.859 25.421 1.00 0.00 H new ATOM 0 HE1 TRP A 514 15.550 15.040 27.458 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.392 18.326 23.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.306 17.573 28.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.305 20.113 24.551 1.00 0.00 H new ATOM 0 HH2 TRP A 514 13.733 19.742 26.941 1.00 0.00 H new ATOM 667 N TRP A 515 14.955 14.573 19.756 1.00 0.00 N ATOM 668 CA TRP A 515 15.185 14.511 18.310 1.00 0.00 C ATOM 669 C TRP A 515 15.847 15.810 17.836 1.00 0.00 C ATOM 670 O TRP A 515 15.397 16.912 18.173 1.00 0.00 O ATOM 671 CB TRP A 515 13.871 14.250 17.549 1.00 0.00 C ATOM 672 CG TRP A 515 13.305 12.857 17.643 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.525 11.988 18.652 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.451 12.133 16.696 1.00 0.00 C ATOM 675 NE1 TRP A 515 12.897 10.787 18.405 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.203 10.823 17.218 1.00 0.00 C ATOM 677 CE3 TRP A 515 11.873 12.435 15.441 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.423 9.873 16.541 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.105 11.479 14.744 1.00 0.00 C ATOM 680 CH2 TRP A 515 10.873 10.205 15.292 1.00 0.00 C ATOM 0 H TRP A 515 13.977 14.718 20.008 1.00 0.00 H new ATOM 0 HA TRP A 515 15.854 13.677 18.097 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.120 14.949 17.916 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.035 14.481 16.496 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.113 12.204 19.532 1.00 0.00 H new ATOM 0 HE1 TRP A 515 12.941 9.976 19.022 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.022 13.414 15.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.248 8.899 16.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.690 11.728 13.778 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.274 9.485 14.755 1.00 0.00 H new ATOM 691 N LYS A 516 16.915 15.677 17.045 1.00 0.00 N ATOM 692 CA LYS A 516 17.572 16.804 16.377 1.00 0.00 C ATOM 693 C LYS A 516 16.845 17.122 15.077 1.00 0.00 C ATOM 694 O LYS A 516 16.606 16.232 14.258 1.00 0.00 O ATOM 695 CB LYS A 516 19.047 16.484 16.094 1.00 0.00 C ATOM 696 CG LYS A 516 19.791 17.769 15.699 1.00 0.00 C ATOM 697 CD LYS A 516 21.257 17.514 15.341 1.00 0.00 C ATOM 698 CE LYS A 516 21.862 18.855 14.916 1.00 0.00 C ATOM 699 NZ LYS A 516 23.287 18.739 14.514 1.00 0.00 N ATOM 0 H LYS A 516 17.352 14.776 16.848 1.00 0.00 H new ATOM 0 HA LYS A 516 17.533 17.672 17.035 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.509 16.042 16.977 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.122 15.748 15.293 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.288 18.229 14.848 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.741 18.481 16.522 1.00 0.00 H new ATOM 0 HD2 LYS A 516 21.795 17.103 16.195 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.334 16.785 14.535 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.286 19.262 14.085 1.00 0.00 H new ATOM 0 HE3 LYS A 516 21.778 19.564 15.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.560 19.575 13.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 23.883 18.677 15.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.416 17.883 13.937 1.00 0.00 H new ATOM 713 N VAL A 517 16.550 18.399 14.858 1.00 0.00 N ATOM 714 CA VAL A 517 15.821 18.887 13.681 1.00 0.00 C ATOM 715 C VAL A 517 16.424 20.189 13.147 1.00 0.00 C ATOM 716 O VAL A 517 17.074 20.937 13.884 1.00 0.00 O ATOM 717 CB VAL A 517 14.323 19.074 13.999 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.593 17.753 14.267 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.059 19.996 15.197 1.00 0.00 C ATOM 0 H VAL A 517 16.814 19.143 15.504 1.00 0.00 H new ATOM 0 HA VAL A 517 15.916 18.131 12.902 1.00 0.00 H new ATOM 0 HB VAL A 517 13.933 19.536 13.092 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.544 17.955 14.484 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.665 17.113 13.388 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.050 17.251 15.120 1.00 0.00 H new ATOM 0 HG21 VAL A 517 12.985 20.081 15.361 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.531 19.580 16.087 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.474 20.983 14.995 1.00 0.00 H new ATOM 729 N ARG A 518 16.174 20.471 11.862 1.00 0.00 N ATOM 730 CA ARG A 518 16.591 21.697 11.164 1.00 0.00 C ATOM 731 C ARG A 518 15.369 22.487 10.698 1.00 0.00 C ATOM 732 O ARG A 518 14.557 22.008 9.904 1.00 0.00 O ATOM 733 CB ARG A 518 17.550 21.336 10.020 1.00 0.00 C ATOM 734 CG ARG A 518 17.927 22.517 9.108 1.00 0.00 C ATOM 735 CD ARG A 518 19.341 22.372 8.531 1.00 0.00 C ATOM 736 NE ARG A 518 19.510 21.132 7.746 1.00 0.00 N ATOM 737 CZ ARG A 518 20.565 20.800 7.020 1.00 0.00 C ATOM 738 NH1 ARG A 518 21.614 21.569 6.922 1.00 0.00 N ATOM 739 NH2 ARG A 518 20.585 19.676 6.362 1.00 0.00 N ATOM 0 H ARG A 518 15.658 19.831 11.258 1.00 0.00 H new ATOM 0 HA ARG A 518 17.135 22.351 11.846 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.462 20.916 10.445 1.00 0.00 H new ATOM 0 HB3 ARG A 518 17.093 20.555 9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.208 22.588 8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 518 17.860 23.447 9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 518 19.561 23.231 7.898 1.00 0.00 H new ATOM 0 HD3 ARG A 518 20.065 22.383 9.346 1.00 0.00 H new ATOM 0 HE ARG A 518 18.737 20.466 7.766 1.00 0.00 H new ATOM 0 HH11 ARG A 518 21.640 22.461 7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 518 22.408 21.278 6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 518 19.784 19.046 6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 518 21.402 19.426 5.804 1.00 0.00 H new ATOM 753 N ASP A 519 15.238 23.684 11.253 1.00 0.00 N ATOM 754 CA ASP A 519 14.218 24.685 10.927 1.00 0.00 C ATOM 755 C ASP A 519 14.421 25.327 9.533 1.00 0.00 C ATOM 756 O ASP A 519 15.524 25.277 8.974 1.00 0.00 O ATOM 757 CB ASP A 519 14.246 25.759 12.025 1.00 0.00 C ATOM 758 CG ASP A 519 15.646 26.358 12.198 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.030 27.235 11.390 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.354 25.928 13.133 1.00 0.00 O ATOM 0 H ASP A 519 15.873 24.005 11.984 1.00 0.00 H new ATOM 0 HA ASP A 519 13.248 24.190 10.885 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.540 26.551 11.777 1.00 0.00 H new ATOM 0 HB3 ASP A 519 13.918 25.323 12.969 1.00 0.00 H new ATOM 765 N PRO A 520 13.380 25.971 8.964 1.00 0.00 N ATOM 766 CA PRO A 520 13.464 26.644 7.664 1.00 0.00 C ATOM 767 C PRO A 520 14.294 27.944 7.655 1.00 0.00 C ATOM 768 O PRO A 520 14.600 28.453 6.573 1.00 0.00 O ATOM 769 CB PRO A 520 12.011 26.896 7.253 1.00 0.00 C ATOM 770 CG PRO A 520 11.266 27.000 8.581 1.00 0.00 C ATOM 771 CD PRO A 520 12.002 25.981 9.445 1.00 0.00 C ATOM 0 HA PRO A 520 14.004 26.012 6.959 1.00 0.00 H new ATOM 0 HB2 PRO A 520 11.914 27.811 6.668 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.623 26.083 6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.321 28.004 9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.209 26.756 8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 520 11.958 26.257 10.498 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.550 24.993 9.355 1.00 0.00 H new ATOM 779 N ALA A 521 14.683 28.490 8.817 1.00 0.00 N ATOM 780 CA ALA A 521 15.587 29.647 8.900 1.00 0.00 C ATOM 781 C ALA A 521 17.055 29.276 8.599 1.00 0.00 C ATOM 782 O ALA A 521 17.842 30.139 8.196 1.00 0.00 O ATOM 783 CB ALA A 521 15.482 30.305 10.286 1.00 0.00 C ATOM 0 H ALA A 521 14.379 28.141 9.726 1.00 0.00 H new ATOM 0 HA ALA A 521 15.271 30.354 8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.156 31.160 10.335 1.00 0.00 H new ATOM 0 HB2 ALA A 521 14.458 30.640 10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 521 15.757 29.582 11.054 1.00 0.00 H new ATOM 789 N GLY A 522 17.421 28.001 8.783 1.00 0.00 N ATOM 790 CA GLY A 522 18.750 27.449 8.508 1.00 0.00 C ATOM 791 C GLY A 522 19.560 27.079 9.758 1.00 0.00 C ATOM 792 O GLY A 522 20.754 26.790 9.635 1.00 0.00 O ATOM 0 H GLY A 522 16.773 27.300 9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.638 26.560 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.317 28.175 7.926 1.00 0.00 H new ATOM 796 N GLN A 523 18.951 27.101 10.950 1.00 0.00 N ATOM 797 CA GLN A 523 19.598 26.722 12.216 1.00 0.00 C ATOM 798 C GLN A 523 19.293 25.249 12.585 1.00 0.00 C ATOM 799 O GLN A 523 18.716 24.496 11.793 1.00 0.00 O ATOM 800 CB GLN A 523 19.222 27.716 13.339 1.00 0.00 C ATOM 801 CG GLN A 523 19.326 29.198 12.933 1.00 0.00 C ATOM 802 CD GLN A 523 19.680 30.090 14.123 1.00 0.00 C ATOM 803 OE1 GLN A 523 20.830 30.197 14.536 1.00 0.00 O ATOM 804 NE2 GLN A 523 18.722 30.762 14.728 1.00 0.00 N ATOM 0 H GLN A 523 17.979 27.387 11.066 1.00 0.00 H new ATOM 0 HA GLN A 523 20.679 26.784 12.088 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.202 27.511 13.664 1.00 0.00 H new ATOM 0 HB3 GLN A 523 19.871 27.540 14.197 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.083 29.310 12.157 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.379 29.524 12.503 1.00 0.00 H new ATOM 0 HE21 GLN A 523 17.760 30.686 14.399 1.00 0.00 H new ATOM 0 HE22 GLN A 523 18.943 31.359 15.525 1.00 0.00 H new ATOM 813 N GLU A 524 19.718 24.803 13.770 1.00 0.00 N ATOM 814 CA GLU A 524 19.488 23.444 14.293 1.00 0.00 C ATOM 815 C GLU A 524 19.214 23.482 15.809 1.00 0.00 C ATOM 816 O GLU A 524 19.719 24.359 16.520 1.00 0.00 O ATOM 817 CB GLU A 524 20.723 22.560 14.026 1.00 0.00 C ATOM 818 CG GLU A 524 20.940 22.180 12.549 1.00 0.00 C ATOM 819 CD GLU A 524 22.260 21.415 12.290 1.00 0.00 C ATOM 820 OE1 GLU A 524 23.094 21.235 13.214 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.486 20.989 11.132 1.00 0.00 O ATOM 0 H GLU A 524 20.247 25.390 14.414 1.00 0.00 H new ATOM 0 HA GLU A 524 18.619 23.027 13.784 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.610 23.081 14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.631 21.645 14.612 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.103 21.567 12.214 1.00 0.00 H new ATOM 0 HG3 GLU A 524 20.932 23.087 11.945 1.00 0.00 H new ATOM 828 N GLY A 525 18.456 22.508 16.324 1.00 0.00 N ATOM 829 CA GLY A 525 18.201 22.354 17.758 1.00 0.00 C ATOM 830 C GLY A 525 17.613 20.994 18.140 1.00 0.00 C ATOM 831 O GLY A 525 17.294 20.165 17.282 1.00 0.00 O ATOM 0 H GLY A 525 17.999 21.799 15.751 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.135 22.501 18.301 1.00 0.00 H new ATOM 0 HA3 GLY A 525 17.517 23.139 18.082 1.00 0.00 H new ATOM 835 N TYR A 526 17.457 20.794 19.450 1.00 0.00 N ATOM 836 CA TYR A 526 16.937 19.576 20.074 1.00 0.00 C ATOM 837 C TYR A 526 15.619 19.857 20.809 1.00 0.00 C ATOM 838 O TYR A 526 15.500 20.848 21.536 1.00 0.00 O ATOM 839 CB TYR A 526 17.981 19.037 21.063 1.00 0.00 C ATOM 840 CG TYR A 526 19.211 18.410 20.427 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.174 17.053 20.056 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.398 19.153 20.239 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.314 16.430 19.515 1.00 0.00 C ATOM 844 CE2 TYR A 526 21.532 18.541 19.672 1.00 0.00 C ATOM 845 CZ TYR A 526 21.497 17.176 19.316 1.00 0.00 C ATOM 846 OH TYR A 526 22.604 16.585 18.793 1.00 0.00 O ATOM 0 H TYR A 526 17.701 21.509 20.136 1.00 0.00 H new ATOM 0 HA TYR A 526 16.741 18.836 19.298 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.302 19.854 21.709 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.503 18.294 21.702 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.264 16.486 20.187 1.00 0.00 H new ATOM 0 HD2 TYR A 526 20.435 20.192 20.531 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.284 15.383 19.252 1.00 0.00 H new ATOM 0 HE2 TYR A 526 22.431 19.117 19.509 1.00 0.00 H new ATOM 0 HH TYR A 526 23.325 17.245 18.724 1.00 0.00 H new ATOM 856 N VAL A 527 14.646 18.956 20.644 1.00 0.00 N ATOM 857 CA VAL A 527 13.301 19.003 21.257 1.00 0.00 C ATOM 858 C VAL A 527 12.776 17.582 21.533 1.00 0.00 C ATOM 859 O VAL A 527 13.201 16.642 20.854 1.00 0.00 O ATOM 860 CB VAL A 527 12.295 19.751 20.356 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.467 21.269 20.445 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.357 19.338 18.883 1.00 0.00 C ATOM 0 H VAL A 527 14.773 18.134 20.054 1.00 0.00 H new ATOM 0 HA VAL A 527 13.397 19.544 22.199 1.00 0.00 H new ATOM 0 HB VAL A 527 11.318 19.462 20.745 1.00 0.00 H new ATOM 0 HG11 VAL A 527 11.740 21.756 19.796 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.310 21.593 21.474 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.474 21.540 20.129 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.621 19.907 18.314 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.354 19.539 18.490 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.140 18.273 18.794 1.00 0.00 H new ATOM 872 N PRO A 528 11.869 17.375 22.511 1.00 0.00 N ATOM 873 CA PRO A 528 11.402 16.033 22.859 1.00 0.00 C ATOM 874 C PRO A 528 10.496 15.453 21.762 1.00 0.00 C ATOM 875 O PRO A 528 9.661 16.155 21.191 1.00 0.00 O ATOM 876 CB PRO A 528 10.659 16.194 24.191 1.00 0.00 C ATOM 877 CG PRO A 528 10.174 17.642 24.178 1.00 0.00 C ATOM 878 CD PRO A 528 11.217 18.383 23.341 1.00 0.00 C ATOM 0 HA PRO A 528 12.228 15.328 22.950 1.00 0.00 H new ATOM 0 HB2 PRO A 528 9.826 15.496 24.269 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.316 16.002 25.039 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.180 17.724 23.739 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.111 18.049 25.187 1.00 0.00 H new ATOM 0 HD2 PRO A 528 10.747 19.150 22.725 1.00 0.00 H new ATOM 0 HD3 PRO A 528 11.941 18.888 23.980 1.00 0.00 H new ATOM 886 N TYR A 529 10.592 14.147 21.504 1.00 0.00 N ATOM 887 CA TYR A 529 9.710 13.449 20.555 1.00 0.00 C ATOM 888 C TYR A 529 8.209 13.570 20.898 1.00 0.00 C ATOM 889 O TYR A 529 7.362 13.436 20.015 1.00 0.00 O ATOM 890 CB TYR A 529 10.130 11.977 20.438 1.00 0.00 C ATOM 891 CG TYR A 529 9.640 11.079 21.562 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.316 11.050 22.797 1.00 0.00 C ATOM 893 CD2 TYR A 529 8.491 10.285 21.374 1.00 0.00 C ATOM 894 CE1 TYR A 529 9.853 10.226 23.840 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.023 9.458 22.414 1.00 0.00 C ATOM 896 CZ TYR A 529 8.706 9.425 23.650 1.00 0.00 C ATOM 897 OH TYR A 529 8.265 8.628 24.661 1.00 0.00 O ATOM 0 H TYR A 529 11.283 13.540 21.945 1.00 0.00 H new ATOM 0 HA TYR A 529 9.831 13.944 19.591 1.00 0.00 H new ATOM 0 HB2 TYR A 529 9.760 11.583 19.491 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.218 11.927 20.401 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.193 11.662 22.944 1.00 0.00 H new ATOM 0 HD2 TYR A 529 7.968 10.311 20.430 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.375 10.206 24.785 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.143 8.850 22.266 1.00 0.00 H new ATOM 0 HH TYR A 529 7.465 8.143 24.370 1.00 0.00 H new ATOM 907 N ASN A 530 7.871 13.853 22.166 1.00 0.00 N ATOM 908 CA ASN A 530 6.501 14.031 22.657 1.00 0.00 C ATOM 909 C ASN A 530 5.757 15.234 22.029 1.00 0.00 C ATOM 910 O ASN A 530 4.545 15.150 21.812 1.00 0.00 O ATOM 911 CB ASN A 530 6.572 14.151 24.191 1.00 0.00 C ATOM 912 CG ASN A 530 5.202 14.060 24.847 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.507 15.049 25.039 1.00 0.00 O ATOM 914 ND2 ASN A 530 4.775 12.874 25.225 1.00 0.00 N ATOM 0 H ASN A 530 8.570 13.967 22.900 1.00 0.00 H new ATOM 0 HA ASN A 530 5.911 13.165 22.356 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.213 13.362 24.585 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.036 15.101 24.457 1.00 0.00 H new ATOM 0 HD21 ASN A 530 3.866 12.780 25.677 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.353 12.049 25.065 1.00 0.00 H new ATOM 921 N ILE A 531 6.466 16.329 21.703 1.00 0.00 N ATOM 922 CA ILE A 531 5.876 17.539 21.080 1.00 0.00 C ATOM 923 C ILE A 531 5.991 17.568 19.549 1.00 0.00 C ATOM 924 O ILE A 531 5.457 18.470 18.899 1.00 0.00 O ATOM 925 CB ILE A 531 6.392 18.848 21.715 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.895 19.126 21.508 1.00 0.00 C ATOM 927 CG2 ILE A 531 6.061 18.855 23.220 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.195 20.157 20.420 1.00 0.00 C ATOM 0 H ILE A 531 7.470 16.405 21.863 1.00 0.00 H new ATOM 0 HA ILE A 531 4.810 17.471 21.299 1.00 0.00 H new ATOM 0 HB ILE A 531 5.876 19.653 21.192 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.323 19.472 22.449 1.00 0.00 H new ATOM 0 HG13 ILE A 531 8.395 18.191 21.255 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.425 19.779 23.668 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.982 18.787 23.355 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.542 18.004 23.702 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.273 20.295 20.337 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.800 19.806 19.467 1.00 0.00 H new ATOM 0 HD13 ILE A 531 7.726 21.106 20.679 1.00 0.00 H new ATOM 940 N LEU A 532 6.649 16.565 18.972 1.00 0.00 N ATOM 941 CA LEU A 532 6.744 16.320 17.532 1.00 0.00 C ATOM 942 C LEU A 532 5.774 15.219 17.065 1.00 0.00 C ATOM 943 O LEU A 532 5.324 14.376 17.846 1.00 0.00 O ATOM 944 CB LEU A 532 8.189 15.908 17.203 1.00 0.00 C ATOM 945 CG LEU A 532 9.262 16.973 17.495 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.622 16.359 17.165 1.00 0.00 C ATOM 947 CD2 LEU A 532 9.036 18.251 16.680 1.00 0.00 C ATOM 0 H LEU A 532 7.154 15.868 19.519 1.00 0.00 H new ATOM 0 HA LEU A 532 6.469 17.236 17.008 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.430 15.009 17.770 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.242 15.643 16.147 1.00 0.00 H new ATOM 0 HG LEU A 532 9.211 17.264 18.544 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.408 17.089 17.361 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.783 15.477 17.785 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.647 16.073 16.114 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.815 18.976 16.916 1.00 0.00 H new ATOM 0 HD22 LEU A 532 9.070 18.015 15.616 1.00 0.00 H new ATOM 0 HD23 LEU A 532 8.062 18.672 16.927 1.00 0.00 H new ATOM 959 N THR A 533 5.503 15.195 15.762 1.00 0.00 N ATOM 960 CA THR A 533 4.738 14.156 15.048 1.00 0.00 C ATOM 961 C THR A 533 5.313 13.930 13.643 1.00 0.00 C ATOM 962 O THR A 533 6.004 14.809 13.117 1.00 0.00 O ATOM 963 CB THR A 533 3.241 14.530 14.927 1.00 0.00 C ATOM 964 OG1 THR A 533 3.058 15.885 14.573 1.00 0.00 O ATOM 965 CG2 THR A 533 2.479 14.260 16.224 1.00 0.00 C ATOM 0 H THR A 533 5.824 15.934 15.137 1.00 0.00 H new ATOM 0 HA THR A 533 4.823 13.240 15.632 1.00 0.00 H new ATOM 0 HB THR A 533 2.844 13.896 14.134 1.00 0.00 H new ATOM 0 HG1 THR A 533 2.325 16.265 15.101 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.432 14.536 16.095 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.547 13.201 16.472 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.914 14.850 17.031 1.00 0.00 H new ATOM 973 N PRO A 534 5.059 12.771 13.001 1.00 0.00 N ATOM 974 CA PRO A 534 5.474 12.537 11.616 1.00 0.00 C ATOM 975 C PRO A 534 4.780 13.503 10.638 1.00 0.00 C ATOM 976 O PRO A 534 3.782 14.149 10.972 1.00 0.00 O ATOM 977 CB PRO A 534 5.130 11.069 11.332 1.00 0.00 C ATOM 978 CG PRO A 534 3.975 10.777 12.288 1.00 0.00 C ATOM 979 CD PRO A 534 4.333 11.615 13.514 1.00 0.00 C ATOM 0 HA PRO A 534 6.538 12.726 11.477 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.837 10.920 10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.981 10.414 11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 534 3.015 11.070 11.864 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.907 9.716 12.529 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.437 11.923 14.054 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.946 11.046 14.213 1.00 0.00 H new ATOM 987 N TYR A 535 5.279 13.552 9.400 1.00 0.00 N ATOM 988 CA TYR A 535 4.732 14.371 8.312 1.00 0.00 C ATOM 989 C TYR A 535 4.285 13.482 7.128 1.00 0.00 C ATOM 990 O TYR A 535 4.994 13.386 6.119 1.00 0.00 O ATOM 991 CB TYR A 535 5.744 15.465 7.937 1.00 0.00 C ATOM 992 CG TYR A 535 5.184 16.556 7.043 1.00 0.00 C ATOM 993 CD1 TYR A 535 4.151 17.387 7.521 1.00 0.00 C ATOM 994 CD2 TYR A 535 5.697 16.754 5.745 1.00 0.00 C ATOM 995 CE1 TYR A 535 3.645 18.425 6.717 1.00 0.00 C ATOM 996 CE2 TYR A 535 5.191 17.790 4.935 1.00 0.00 C ATOM 997 CZ TYR A 535 4.166 18.632 5.422 1.00 0.00 C ATOM 998 OH TYR A 535 3.673 19.637 4.649 1.00 0.00 O ATOM 0 H TYR A 535 6.096 13.010 9.118 1.00 0.00 H new ATOM 0 HA TYR A 535 3.828 14.884 8.639 1.00 0.00 H new ATOM 0 HB2 TYR A 535 6.124 15.921 8.851 1.00 0.00 H new ATOM 0 HB3 TYR A 535 6.593 15.001 7.435 1.00 0.00 H new ATOM 0 HD1 TYR A 535 3.746 17.226 8.509 1.00 0.00 H new ATOM 0 HD2 TYR A 535 6.479 16.110 5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 535 2.858 19.063 7.091 1.00 0.00 H new ATOM 0 HE2 TYR A 535 5.587 17.941 3.941 1.00 0.00 H new ATOM 0 HH TYR A 535 4.139 19.646 3.787 1.00 0.00 H new ATOM 1008 N PRO A 536 3.152 12.757 7.267 1.00 0.00 N ATOM 1009 CA PRO A 536 2.644 11.818 6.265 1.00 0.00 C ATOM 1010 C PRO A 536 2.112 12.546 5.016 1.00 0.00 C ATOM 1011 O PRO A 536 0.949 12.953 4.947 1.00 0.00 O ATOM 1012 CB PRO A 536 1.578 10.984 6.988 1.00 0.00 C ATOM 1013 CG PRO A 536 1.043 11.936 8.057 1.00 0.00 C ATOM 1014 CD PRO A 536 2.277 12.752 8.436 1.00 0.00 C ATOM 0 HA PRO A 536 3.430 11.171 5.874 1.00 0.00 H new ATOM 0 HB2 PRO A 536 0.790 10.662 6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 536 2.005 10.084 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 536 0.243 12.568 7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 536 0.637 11.396 8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 536 1.998 13.768 8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 536 2.782 12.313 9.296 1.00 0.00 H new ATOM 1022 N ALA A 537 2.977 12.697 4.011 1.00 0.00 N ATOM 1023 CA ALA A 537 2.711 13.383 2.742 1.00 0.00 C ATOM 1024 C ALA A 537 2.197 12.427 1.633 1.00 0.00 C ATOM 1025 O ALA A 537 2.427 12.654 0.441 1.00 0.00 O ATOM 1026 CB ALA A 537 3.992 14.137 2.351 1.00 0.00 C ATOM 0 H ALA A 537 3.926 12.328 4.061 1.00 0.00 H new ATOM 0 HA ALA A 537 1.893 14.093 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 537 3.832 14.661 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 537 4.242 14.858 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 537 4.811 13.427 2.237 1.00 0.00 H new ATOM 1032 N ALA A 538 1.513 11.343 2.022 1.00 0.00 N ATOM 1033 CA ALA A 538 1.009 10.282 1.146 1.00 0.00 C ATOM 1034 C ALA A 538 -0.467 9.974 1.467 1.00 0.00 C ATOM 1035 O ALA A 538 -0.797 9.579 2.590 1.00 0.00 O ATOM 1036 CB ALA A 538 1.908 9.047 1.319 1.00 0.00 C ATOM 0 H ALA A 538 1.286 11.176 3.002 1.00 0.00 H new ATOM 0 HA ALA A 538 1.042 10.599 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 538 1.550 8.244 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 538 2.932 9.302 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 538 1.880 8.719 2.358 1.00 0.00 H new ATOM 1042 N ALA A 539 -1.352 10.178 0.480 1.00 0.00 N ATOM 1043 CA ALA A 539 -2.818 10.092 0.596 1.00 0.00 C ATOM 1044 C ALA A 539 -3.420 10.854 1.809 1.00 0.00 C ATOM 1045 O ALA A 539 -4.411 10.414 2.407 1.00 0.00 O ATOM 1046 CB ALA A 539 -3.232 8.614 0.501 1.00 0.00 C ATOM 0 H ALA A 539 -1.053 10.419 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 539 -3.261 10.631 -0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 539 -4.316 8.534 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 539 -2.911 8.207 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 539 -2.763 8.052 1.308 1.00 0.00 H new ATOM 1052 N SER A 540 -2.799 11.984 2.188 1.00 0.00 N ATOM 1053 CA SER A 540 -3.177 12.850 3.327 1.00 0.00 C ATOM 1054 C SER A 540 -4.616 13.382 3.229 1.00 0.00 C ATOM 1055 O SER A 540 -4.974 13.980 2.185 1.00 0.00 O ATOM 1056 CB SER A 540 -2.174 14.003 3.440 1.00 0.00 C ATOM 1057 OG SER A 540 -2.259 14.585 4.727 1.00 0.00 O ATOM 0 H SER A 540 -1.983 12.338 1.689 1.00 0.00 H new ATOM 0 HA SER A 540 -3.146 12.240 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 540 -1.163 13.637 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 540 -2.380 14.753 2.677 1.00 0.00 H new ATOM 0 HG SER A 540 -1.615 15.321 4.797 1.00 0.00 H new TER 1063 SER A 540