USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 586 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 475 SER OG : rot 180:sc= 0 USER MOD Single : A 476 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 478 THR OG1 : 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 150:sc= 0 USER MOD Single : A 486 ASN : amide:sc= -0.429 K(o=-0.43,f=-3.7!) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 493 ASN : amide:sc= 0.929 K(o=0.93,f=-0.18) 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 X(o=0,f=-0.026) USER MOD Single : A 511 SER OG : rot -44:sc= 0.0151 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.213 K(o=-0.21,f=-2.4!) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.0653 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD Single : B 542 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 545 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 474 5.083 -4.771 -0.904 1.00 0.00 N ATOM 2 CA GLY A 474 6.341 -5.425 -0.514 1.00 0.00 C ATOM 3 C GLY A 474 7.540 -4.680 -1.072 1.00 0.00 C ATOM 4 O GLY A 474 7.699 -4.614 -2.292 1.00 0.00 O ATOM 0 HA2 GLY A 474 6.410 -5.469 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 474 6.347 -6.453 -0.876 1.00 0.00 H new ATOM 8 N SER A 475 8.407 -4.160 -0.202 1.00 0.00 N ATOM 9 CA SER A 475 9.597 -3.383 -0.572 1.00 0.00 C ATOM 10 C SER A 475 10.805 -3.724 0.315 1.00 0.00 C ATOM 11 O SER A 475 10.663 -4.056 1.492 1.00 0.00 O ATOM 12 CB SER A 475 9.318 -1.874 -0.446 1.00 0.00 C ATOM 13 OG SER A 475 8.257 -1.465 -1.315 1.00 0.00 O ATOM 0 H SER A 475 8.301 -4.269 0.807 1.00 0.00 H new ATOM 0 HA SER A 475 9.830 -3.643 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 475 9.058 -1.635 0.585 1.00 0.00 H new ATOM 0 HB3 SER A 475 10.222 -1.314 -0.685 1.00 0.00 H new ATOM 0 HG SER A 475 8.102 -0.503 -1.212 1.00 0.00 H new ATOM 19 N MET A 476 12.010 -3.647 -0.268 1.00 0.00 N ATOM 20 CA MET A 476 13.311 -3.988 0.351 1.00 0.00 C ATOM 21 C MET A 476 14.476 -3.295 -0.371 1.00 0.00 C ATOM 22 O MET A 476 14.300 -2.747 -1.467 1.00 0.00 O ATOM 23 CB MET A 476 13.498 -5.516 0.352 1.00 0.00 C ATOM 24 CG MET A 476 13.666 -6.109 -1.049 1.00 0.00 C ATOM 25 SD MET A 476 13.730 -7.915 -1.138 1.00 0.00 S ATOM 26 CE MET A 476 11.972 -8.305 -1.465 1.00 0.00 C ATOM 0 H MET A 476 12.115 -3.330 -1.232 1.00 0.00 H new ATOM 0 HA MET A 476 13.309 -3.627 1.380 1.00 0.00 H new ATOM 0 HB2 MET A 476 14.373 -5.767 0.952 1.00 0.00 H new ATOM 0 HB3 MET A 476 12.637 -5.980 0.834 1.00 0.00 H new ATOM 0 HG2 MET A 476 12.841 -5.763 -1.671 1.00 0.00 H new ATOM 0 HG3 MET A 476 14.582 -5.710 -1.484 1.00 0.00 H new ATOM 0 HE1 MET A 476 11.848 -9.385 -1.546 1.00 0.00 H new ATOM 0 HE2 MET A 476 11.358 -7.930 -0.646 1.00 0.00 H new ATOM 0 HE3 MET A 476 11.662 -7.833 -2.397 1.00 0.00 H new ATOM 36 N GLY A 477 15.683 -3.333 0.197 1.00 0.00 N ATOM 37 CA GLY A 477 16.919 -2.848 -0.447 1.00 0.00 C ATOM 38 C GLY A 477 16.961 -1.316 -0.614 1.00 0.00 C ATOM 39 O GLY A 477 17.325 -0.830 -1.692 1.00 0.00 O ATOM 0 H GLY A 477 15.838 -3.707 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 477 17.777 -3.165 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 477 17.017 -3.316 -1.427 1.00 0.00 H new ATOM 43 N THR A 478 16.562 -0.557 0.422 1.00 0.00 N ATOM 44 CA THR A 478 16.417 0.914 0.390 1.00 0.00 C ATOM 45 C THR A 478 17.031 1.592 1.627 1.00 0.00 C ATOM 46 O THR A 478 17.278 0.956 2.658 1.00 0.00 O ATOM 47 CB THR A 478 14.951 1.334 0.243 1.00 0.00 C ATOM 48 OG1 THR A 478 14.142 0.762 1.259 1.00 0.00 O ATOM 49 CG2 THR A 478 14.343 0.944 -1.099 1.00 0.00 C ATOM 0 H THR A 478 16.325 -0.958 1.329 1.00 0.00 H new ATOM 0 HA THR A 478 16.970 1.251 -0.487 1.00 0.00 H new ATOM 0 HB THR A 478 14.965 2.421 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 478 13.213 1.050 1.139 1.00 0.00 H new ATOM 0 HG21 THR A 478 13.304 1.271 -1.136 1.00 0.00 H new ATOM 0 HG22 THR A 478 14.903 1.420 -1.904 1.00 0.00 H new ATOM 0 HG23 THR A 478 14.387 -0.139 -1.218 1.00 0.00 H new ATOM 57 N ALA A 479 17.278 2.907 1.527 1.00 0.00 N ATOM 58 CA ALA A 479 17.924 3.746 2.547 1.00 0.00 C ATOM 59 C ALA A 479 16.963 4.171 3.694 1.00 0.00 C ATOM 60 O ALA A 479 16.838 5.360 4.006 1.00 0.00 O ATOM 61 CB ALA A 479 18.576 4.936 1.824 1.00 0.00 C ATOM 0 H ALA A 479 17.021 3.438 0.695 1.00 0.00 H new ATOM 0 HA ALA A 479 18.691 3.169 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 479 19.066 5.581 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 479 19.314 4.569 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 479 17.811 5.503 1.294 1.00 0.00 H new ATOM 67 N GLY A 480 16.256 3.216 4.307 1.00 0.00 N ATOM 68 CA GLY A 480 15.308 3.462 5.400 1.00 0.00 C ATOM 69 C GLY A 480 15.021 2.234 6.272 1.00 0.00 C ATOM 70 O GLY A 480 15.313 1.095 5.896 1.00 0.00 O ATOM 0 H GLY A 480 16.328 2.231 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 480 15.699 4.259 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 480 14.369 3.821 4.978 1.00 0.00 H new ATOM 74 N LYS A 481 14.453 2.483 7.461 1.00 0.00 N ATOM 75 CA LYS A 481 14.106 1.482 8.493 1.00 0.00 C ATOM 76 C LYS A 481 13.056 2.027 9.472 1.00 0.00 C ATOM 77 O LYS A 481 12.659 3.193 9.393 1.00 0.00 O ATOM 78 CB LYS A 481 15.391 1.048 9.243 1.00 0.00 C ATOM 79 CG LYS A 481 15.443 -0.457 9.578 1.00 0.00 C ATOM 80 CD LYS A 481 15.736 -1.320 8.342 1.00 0.00 C ATOM 81 CE LYS A 481 15.868 -2.797 8.752 1.00 0.00 C ATOM 82 NZ LYS A 481 16.203 -3.660 7.599 1.00 0.00 N ATOM 0 H LYS A 481 14.210 3.431 7.747 1.00 0.00 H new ATOM 0 HA LYS A 481 13.667 0.613 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.259 1.305 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.470 1.619 10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 481 16.211 -0.633 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.492 -0.763 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 481 14.935 -1.207 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 481 16.655 -0.983 7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 481 16.640 -2.895 9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 481 14.933 -3.135 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 16.283 -4.647 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 15.454 -3.587 6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 17.108 -3.354 7.188 1.00 0.00 H new ATOM 96 N TRP A 482 12.628 1.174 10.398 1.00 0.00 N ATOM 97 CA TRP A 482 11.665 1.474 11.456 1.00 0.00 C ATOM 98 C TRP A 482 12.372 1.936 12.741 1.00 0.00 C ATOM 99 O TRP A 482 13.349 1.320 13.181 1.00 0.00 O ATOM 100 CB TRP A 482 10.815 0.218 11.735 1.00 0.00 C ATOM 101 CG TRP A 482 10.564 -0.681 10.561 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.853 -2.001 10.503 1.00 0.00 C ATOM 103 CD2 TRP A 482 10.079 -0.323 9.231 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.608 -2.476 9.227 1.00 0.00 N ATOM 105 CE2 TRP A 482 10.154 -1.476 8.396 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.629 0.879 8.646 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.812 -1.440 7.035 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.308 0.932 7.276 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.395 -0.222 6.473 1.00 0.00 C ATOM 0 H TRP A 482 12.958 0.209 10.434 1.00 0.00 H new ATOM 0 HA TRP A 482 11.022 2.289 11.124 1.00 0.00 H new ATOM 0 HB2 TRP A 482 11.308 -0.364 12.514 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.853 0.537 12.136 1.00 0.00 H new ATOM 0 HD1 TRP A 482 11.219 -2.594 11.328 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.746 -3.444 8.938 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.530 1.766 9.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.869 -2.333 6.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 8.992 1.867 6.837 1.00 0.00 H new ATOM 0 HH2 TRP A 482 9.141 -0.170 5.425 1.00 0.00 H new ATOM 120 N VAL A 483 11.853 2.987 13.383 1.00 0.00 N ATOM 121 CA VAL A 483 12.369 3.529 14.654 1.00 0.00 C ATOM 122 C VAL A 483 11.239 3.942 15.583 1.00 0.00 C ATOM 123 O VAL A 483 10.237 4.491 15.130 1.00 0.00 O ATOM 124 CB VAL A 483 13.285 4.742 14.429 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.602 4.351 13.759 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.633 5.867 13.619 1.00 0.00 C ATOM 0 H VAL A 483 11.045 3.499 13.030 1.00 0.00 H new ATOM 0 HA VAL A 483 12.945 2.726 15.114 1.00 0.00 H new ATOM 0 HB VAL A 483 13.481 5.122 15.432 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.217 5.240 13.620 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.133 3.637 14.389 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.396 3.897 12.790 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.340 6.688 13.502 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.348 5.490 12.637 1.00 0.00 H new ATOM 0 HG23 VAL A 483 11.746 6.224 14.142 1.00 0.00 H new ATOM 136 N LEU A 484 11.415 3.709 16.885 1.00 0.00 N ATOM 137 CA LEU A 484 10.470 4.129 17.931 1.00 0.00 C ATOM 138 C LEU A 484 10.878 5.470 18.525 1.00 0.00 C ATOM 139 O LEU A 484 12.061 5.729 18.745 1.00 0.00 O ATOM 140 CB LEU A 484 10.359 2.999 18.978 1.00 0.00 C ATOM 141 CG LEU A 484 9.504 3.319 20.224 1.00 0.00 C ATOM 142 CD1 LEU A 484 8.736 2.079 20.697 1.00 0.00 C ATOM 143 CD2 LEU A 484 10.367 3.762 21.402 1.00 0.00 C ATOM 0 H LEU A 484 12.229 3.216 17.252 1.00 0.00 H new ATOM 0 HA LEU A 484 9.478 4.290 17.509 1.00 0.00 H new ATOM 0 HB2 LEU A 484 9.942 2.118 18.491 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.364 2.735 19.308 1.00 0.00 H new ATOM 0 HG LEU A 484 8.825 4.116 19.923 1.00 0.00 H new ATOM 0 HD11 LEU A 484 8.142 2.332 21.575 1.00 0.00 H new ATOM 0 HD12 LEU A 484 8.077 1.734 19.901 1.00 0.00 H new ATOM 0 HD13 LEU A 484 9.442 1.289 20.952 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.729 3.978 22.259 1.00 0.00 H new ATOM 0 HD22 LEU A 484 11.066 2.966 21.661 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.923 4.659 21.129 1.00 0.00 H new ATOM 155 N CYS A 485 9.882 6.310 18.811 1.00 0.00 N ATOM 156 CA CYS A 485 10.037 7.567 19.535 1.00 0.00 C ATOM 157 C CYS A 485 10.161 7.305 21.041 1.00 0.00 C ATOM 158 O CYS A 485 9.196 6.888 21.689 1.00 0.00 O ATOM 159 CB CYS A 485 8.840 8.457 19.189 1.00 0.00 C ATOM 160 SG CYS A 485 9.241 9.425 17.708 1.00 0.00 S ATOM 0 H CYS A 485 8.917 6.126 18.536 1.00 0.00 H new ATOM 0 HA CYS A 485 10.953 8.079 19.240 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.954 7.847 19.013 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.609 9.120 20.023 1.00 0.00 H new ATOM 0 HG CYS A 485 8.152 9.668 17.041 1.00 0.00 H new ATOM 166 N ASN A 486 11.343 7.550 21.612 1.00 0.00 N ATOM 167 CA ASN A 486 11.606 7.499 23.056 1.00 0.00 C ATOM 168 C ASN A 486 10.891 8.631 23.822 1.00 0.00 C ATOM 169 O ASN A 486 10.530 8.450 24.982 1.00 0.00 O ATOM 170 CB ASN A 486 13.126 7.627 23.285 1.00 0.00 C ATOM 171 CG ASN A 486 13.933 6.504 22.697 1.00 0.00 C ATOM 172 OD1 ASN A 486 14.760 6.684 21.821 1.00 0.00 O ATOM 173 ND2 ASN A 486 13.725 5.301 23.158 1.00 0.00 N ATOM 0 H ASN A 486 12.170 7.797 21.068 1.00 0.00 H new ATOM 0 HA ASN A 486 11.224 6.550 23.433 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.469 8.569 22.857 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.318 7.675 24.357 1.00 0.00 H new ATOM 0 HD21 ASN A 486 14.255 4.513 22.785 1.00 0.00 H new ATOM 0 HD22 ASN A 486 13.033 5.149 23.892 1.00 0.00 H new ATOM 180 N TYR A 487 10.690 9.785 23.162 1.00 0.00 N ATOM 181 CA TYR A 487 10.132 11.035 23.718 1.00 0.00 C ATOM 182 C TYR A 487 9.191 11.714 22.701 1.00 0.00 C ATOM 183 O TYR A 487 9.207 11.399 21.509 1.00 0.00 O ATOM 184 CB TYR A 487 11.245 11.997 24.105 1.00 0.00 C ATOM 185 CG TYR A 487 12.310 11.428 25.035 1.00 0.00 C ATOM 186 CD1 TYR A 487 12.072 11.335 26.420 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.535 10.984 24.504 1.00 0.00 C ATOM 188 CE1 TYR A 487 13.055 10.798 27.272 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.524 10.438 25.340 1.00 0.00 C ATOM 190 CZ TYR A 487 14.281 10.348 26.727 1.00 0.00 C ATOM 191 OH TYR A 487 15.242 9.819 27.538 1.00 0.00 O ATOM 0 H TYR A 487 10.924 9.878 22.174 1.00 0.00 H new ATOM 0 HA TYR A 487 9.562 10.776 24.610 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.732 12.347 23.195 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.798 12.869 24.583 1.00 0.00 H new ATOM 0 HD1 TYR A 487 11.133 11.677 26.829 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.717 11.064 23.442 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.875 10.730 28.335 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.459 10.091 24.926 1.00 0.00 H new ATOM 0 HH TYR A 487 16.019 9.560 26.999 1.00 0.00 H new ATOM 201 N ASP A 488 8.375 12.663 23.169 1.00 0.00 N ATOM 202 CA ASP A 488 7.530 13.516 22.325 1.00 0.00 C ATOM 203 C ASP A 488 8.285 14.755 21.781 1.00 0.00 C ATOM 204 O ASP A 488 9.272 15.209 22.373 1.00 0.00 O ATOM 205 CB ASP A 488 6.283 13.932 23.103 1.00 0.00 C ATOM 206 CG ASP A 488 6.585 14.843 24.308 1.00 0.00 C ATOM 207 OD1 ASP A 488 6.973 14.317 25.380 1.00 0.00 O ATOM 208 OD2 ASP A 488 6.416 16.081 24.196 1.00 0.00 O ATOM 0 H ASP A 488 8.281 12.865 24.164 1.00 0.00 H new ATOM 0 HA ASP A 488 7.237 12.932 21.453 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.600 14.449 22.429 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.768 13.038 23.454 1.00 0.00 H new ATOM 213 N PHE A 489 7.800 15.319 20.667 1.00 0.00 N ATOM 214 CA PHE A 489 8.338 16.510 19.990 1.00 0.00 C ATOM 215 C PHE A 489 7.253 17.207 19.144 1.00 0.00 C ATOM 216 O PHE A 489 6.271 16.581 18.740 1.00 0.00 O ATOM 217 CB PHE A 489 9.525 16.077 19.114 1.00 0.00 C ATOM 218 CG PHE A 489 10.214 17.195 18.349 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.807 18.272 19.044 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.222 17.184 16.939 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.368 19.350 18.335 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.796 18.255 16.229 1.00 0.00 C ATOM 223 CZ PHE A 489 11.355 19.340 16.929 1.00 0.00 C ATOM 0 H PHE A 489 6.982 14.940 20.189 1.00 0.00 H new ATOM 0 HA PHE A 489 8.674 17.232 20.734 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.263 15.586 19.749 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.174 15.333 18.399 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.830 18.268 20.124 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.787 16.353 16.403 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.806 20.181 18.868 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.807 18.244 15.149 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.777 20.171 16.383 1.00 0.00 H new ATOM 233 N GLN A 490 7.424 18.496 18.835 1.00 0.00 N ATOM 234 CA GLN A 490 6.451 19.314 18.100 1.00 0.00 C ATOM 235 C GLN A 490 7.113 20.138 16.979 1.00 0.00 C ATOM 236 O GLN A 490 8.209 20.682 17.140 1.00 0.00 O ATOM 237 CB GLN A 490 5.683 20.194 19.104 1.00 0.00 C ATOM 238 CG GLN A 490 6.500 21.344 19.717 1.00 0.00 C ATOM 239 CD GLN A 490 5.726 22.043 20.836 1.00 0.00 C ATOM 240 OE1 GLN A 490 4.875 22.893 20.600 1.00 0.00 O ATOM 241 NE2 GLN A 490 5.991 21.730 22.085 1.00 0.00 N ATOM 0 H GLN A 490 8.264 19.014 19.095 1.00 0.00 H new ATOM 0 HA GLN A 490 5.743 18.659 17.593 1.00 0.00 H new ATOM 0 HB2 GLN A 490 4.811 20.614 18.603 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.313 19.561 19.910 1.00 0.00 H new ATOM 0 HG2 GLN A 490 7.440 20.956 20.110 1.00 0.00 H new ATOM 0 HG3 GLN A 490 6.753 22.067 18.941 1.00 0.00 H new ATOM 0 HE21 GLN A 490 6.697 21.024 22.295 1.00 0.00 H new ATOM 0 HE22 GLN A 490 5.491 22.193 22.844 1.00 0.00 H new ATOM 250 N ALA A 491 6.421 20.263 15.839 1.00 0.00 N ATOM 251 CA ALA A 491 6.925 20.956 14.657 1.00 0.00 C ATOM 252 C ALA A 491 6.829 22.479 14.844 1.00 0.00 C ATOM 253 O ALA A 491 5.731 23.062 14.846 1.00 0.00 O ATOM 254 CB ALA A 491 6.165 20.506 13.415 1.00 0.00 C ATOM 0 H ALA A 491 5.484 19.879 15.715 1.00 0.00 H new ATOM 0 HA ALA A 491 7.976 20.700 14.522 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.552 21.031 12.542 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.293 19.432 13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.106 20.732 13.535 1.00 0.00 H new ATOM 260 N ARG A 492 7.994 23.118 14.968 1.00 0.00 N ATOM 261 CA ARG A 492 8.154 24.570 15.091 1.00 0.00 C ATOM 262 C ARG A 492 8.303 25.249 13.724 1.00 0.00 C ATOM 263 O ARG A 492 8.201 26.475 13.650 1.00 0.00 O ATOM 264 CB ARG A 492 9.343 24.849 16.029 1.00 0.00 C ATOM 265 CG ARG A 492 9.156 24.233 17.432 1.00 0.00 C ATOM 266 CD ARG A 492 10.354 23.418 17.920 1.00 0.00 C ATOM 267 NE ARG A 492 11.314 24.238 18.693 1.00 0.00 N ATOM 268 CZ ARG A 492 11.342 24.403 20.007 1.00 0.00 C ATOM 269 NH1 ARG A 492 10.475 23.832 20.804 1.00 0.00 N ATOM 270 NH2 ARG A 492 12.254 25.155 20.555 1.00 0.00 N ATOM 0 H ARG A 492 8.885 22.621 14.986 1.00 0.00 H new ATOM 0 HA ARG A 492 7.253 25.004 15.525 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.254 24.452 15.581 1.00 0.00 H new ATOM 0 HB3 ARG A 492 9.479 25.926 16.125 1.00 0.00 H new ATOM 0 HG2 ARG A 492 8.960 25.033 18.145 1.00 0.00 H new ATOM 0 HG3 ARG A 492 8.274 23.592 17.421 1.00 0.00 H new ATOM 0 HD2 ARG A 492 10.002 22.594 18.540 1.00 0.00 H new ATOM 0 HD3 ARG A 492 10.864 22.977 17.063 1.00 0.00 H new ATOM 0 HE ARG A 492 12.030 24.728 18.157 1.00 0.00 H new ATOM 0 HH11 ARG A 492 9.744 23.235 20.418 1.00 0.00 H new ATOM 0 HH12 ARG A 492 10.531 23.984 21.811 1.00 0.00 H new ATOM 0 HH21 ARG A 492 12.950 25.619 19.972 1.00 0.00 H new ATOM 0 HH22 ARG A 492 12.272 25.279 21.567 1.00 0.00 H new ATOM 284 N ASN A 493 8.505 24.470 12.652 1.00 0.00 N ATOM 285 CA ASN A 493 8.667 24.960 11.265 1.00 0.00 C ATOM 286 C ASN A 493 8.103 23.955 10.222 1.00 0.00 C ATOM 287 O ASN A 493 7.785 22.813 10.563 1.00 0.00 O ATOM 288 CB ASN A 493 10.165 25.227 10.984 1.00 0.00 C ATOM 289 CG ASN A 493 10.814 26.232 11.913 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.682 27.437 11.750 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.554 25.780 12.892 1.00 0.00 N ATOM 0 H ASN A 493 8.563 23.454 12.721 1.00 0.00 H new ATOM 0 HA ASN A 493 8.098 25.884 11.168 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.708 24.284 11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.271 25.580 9.958 1.00 0.00 H new ATOM 0 HD21 ASN A 493 12.022 26.433 13.521 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.663 24.775 13.027 1.00 0.00 H new ATOM 298 N SER A 494 8.043 24.361 8.950 1.00 0.00 N ATOM 299 CA SER A 494 7.701 23.473 7.820 1.00 0.00 C ATOM 300 C SER A 494 8.673 22.368 7.506 1.00 0.00 C ATOM 301 O SER A 494 8.354 21.370 6.899 1.00 0.00 O ATOM 302 CB SER A 494 7.480 24.283 6.535 1.00 0.00 C ATOM 303 OG SER A 494 6.550 25.348 6.734 1.00 0.00 O ATOM 0 H SER A 494 8.231 25.323 8.667 1.00 0.00 H new ATOM 0 HA SER A 494 6.791 22.984 8.168 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.432 24.690 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.115 23.624 5.748 1.00 0.00 H new ATOM 0 HG SER A 494 6.435 25.843 5.896 1.00 0.00 H new ATOM 309 N SER A 495 9.931 22.547 7.907 1.00 0.00 N ATOM 310 CA SER A 495 11.069 21.585 7.749 1.00 0.00 C ATOM 311 C SER A 495 10.953 20.331 8.631 1.00 0.00 C ATOM 312 O SER A 495 11.630 19.337 8.416 1.00 0.00 O ATOM 313 CB SER A 495 12.384 22.292 8.015 1.00 0.00 C ATOM 314 OG SER A 495 12.386 22.924 9.336 1.00 0.00 O ATOM 0 H SER A 495 10.220 23.405 8.377 1.00 0.00 H new ATOM 0 HA SER A 495 11.030 21.232 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.204 21.577 7.949 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.556 23.046 7.247 1.00 0.00 H new ATOM 0 HG SER A 495 13.245 23.371 9.483 1.00 0.00 H new ATOM 320 N GLU A 496 10.087 20.352 9.634 1.00 0.00 N ATOM 321 CA GLU A 496 10.040 19.407 10.739 1.00 0.00 C ATOM 322 C GLU A 496 8.635 18.858 10.960 1.00 0.00 C ATOM 323 O GLU A 496 7.665 19.208 10.294 1.00 0.00 O ATOM 324 CB GLU A 496 10.627 20.045 12.024 1.00 0.00 C ATOM 325 CG GLU A 496 10.053 21.425 12.337 1.00 0.00 C ATOM 326 CD GLU A 496 10.803 22.090 13.505 1.00 0.00 C ATOM 327 OE1 GLU A 496 10.453 21.764 14.669 1.00 0.00 O ATOM 328 OE2 GLU A 496 11.656 22.974 13.284 1.00 0.00 O ATOM 0 H GLU A 496 9.361 21.066 9.702 1.00 0.00 H new ATOM 0 HA GLU A 496 10.663 18.552 10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.438 19.382 12.868 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.709 20.126 11.918 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.119 22.058 11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 496 8.996 21.334 12.586 1.00 0.00 H new ATOM 335 N LEU A 497 8.560 17.945 11.923 1.00 0.00 N ATOM 336 CA LEU A 497 7.385 17.138 12.271 1.00 0.00 C ATOM 337 C LEU A 497 7.116 17.069 13.770 1.00 0.00 C ATOM 338 O LEU A 497 7.985 17.289 14.611 1.00 0.00 O ATOM 339 CB LEU A 497 7.561 15.711 11.708 1.00 0.00 C ATOM 340 CG LEU A 497 7.446 15.555 10.184 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.831 14.129 9.819 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.039 15.842 9.675 1.00 0.00 C ATOM 0 H LEU A 497 9.361 17.733 12.518 1.00 0.00 H new ATOM 0 HA LEU A 497 6.520 17.629 11.824 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.539 15.341 12.016 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.816 15.066 12.174 1.00 0.00 H new ATOM 0 HG LEU A 497 8.113 16.279 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.756 13.997 8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.855 13.936 10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 497 7.158 13.431 10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.011 15.718 8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.336 15.149 10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 497 5.761 16.865 9.930 1.00 0.00 H new ATOM 354 N SER A 498 5.869 16.714 14.089 1.00 0.00 N ATOM 355 CA SER A 498 5.319 16.566 15.446 1.00 0.00 C ATOM 356 C SER A 498 5.030 15.074 15.719 1.00 0.00 C ATOM 357 O SER A 498 4.227 14.451 15.012 1.00 0.00 O ATOM 358 CB SER A 498 4.111 17.427 15.639 1.00 0.00 C ATOM 359 OG SER A 498 3.151 17.345 14.527 1.00 0.00 O ATOM 0 H SER A 498 5.175 16.510 13.370 1.00 0.00 H new ATOM 0 HA SER A 498 6.053 16.909 16.175 1.00 0.00 H new ATOM 0 HB2 SER A 498 3.611 17.137 16.563 1.00 0.00 H new ATOM 0 HB3 SER A 498 4.428 18.463 15.760 1.00 0.00 H new ATOM 0 HG SER A 498 2.385 17.927 14.713 1.00 0.00 H new ATOM 365 N VAL A 499 5.673 14.505 16.746 1.00 0.00 N ATOM 366 CA VAL A 499 5.631 13.071 17.064 1.00 0.00 C ATOM 367 C VAL A 499 5.475 12.845 18.571 1.00 0.00 C ATOM 368 O VAL A 499 5.765 13.735 19.372 1.00 0.00 O ATOM 369 CB VAL A 499 6.886 12.331 16.546 1.00 0.00 C ATOM 370 CG1 VAL A 499 7.024 12.384 15.021 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.195 12.858 17.149 1.00 0.00 C ATOM 0 H VAL A 499 6.250 15.040 17.394 1.00 0.00 H new ATOM 0 HA VAL A 499 4.760 12.659 16.554 1.00 0.00 H new ATOM 0 HB VAL A 499 6.728 11.302 16.867 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.923 11.848 14.718 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.152 11.920 14.560 1.00 0.00 H new ATOM 0 HG13 VAL A 499 7.095 13.423 14.698 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.035 12.295 16.743 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.311 13.913 16.901 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.170 12.741 18.232 1.00 0.00 H new ATOM 381 N LYS A 500 5.053 11.644 18.982 1.00 0.00 N ATOM 382 CA LYS A 500 4.825 11.282 20.392 1.00 0.00 C ATOM 383 C LYS A 500 5.594 10.020 20.740 1.00 0.00 C ATOM 384 O LYS A 500 5.836 9.168 19.879 1.00 0.00 O ATOM 385 CB LYS A 500 3.316 11.108 20.660 1.00 0.00 C ATOM 386 CG LYS A 500 2.499 12.350 20.273 1.00 0.00 C ATOM 387 CD LYS A 500 1.009 12.174 20.580 1.00 0.00 C ATOM 388 CE LYS A 500 0.167 13.291 19.944 1.00 0.00 C ATOM 389 NZ LYS A 500 0.380 14.617 20.572 1.00 0.00 N ATOM 0 H LYS A 500 4.856 10.880 18.335 1.00 0.00 H new ATOM 0 HA LYS A 500 5.190 12.087 21.030 1.00 0.00 H new ATOM 0 HB2 LYS A 500 2.949 10.248 20.101 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.161 10.891 21.717 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.880 13.217 20.812 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.629 12.553 19.210 1.00 0.00 H new ATOM 0 HD2 LYS A 500 0.672 11.206 20.208 1.00 0.00 H new ATOM 0 HD3 LYS A 500 0.857 12.172 21.659 1.00 0.00 H new ATOM 0 HE2 LYS A 500 0.406 13.357 18.883 1.00 0.00 H new ATOM 0 HE3 LYS A 500 -0.888 13.027 20.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -0.216 15.325 20.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 0.126 14.569 21.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 1.380 14.888 20.480 1.00 0.00 H new ATOM 403 N GLN A 501 5.997 9.888 22.001 1.00 0.00 N ATOM 404 CA GLN A 501 6.643 8.662 22.482 1.00 0.00 C ATOM 405 C GLN A 501 5.766 7.420 22.310 1.00 0.00 C ATOM 406 O GLN A 501 4.528 7.497 22.343 1.00 0.00 O ATOM 407 CB GLN A 501 7.161 8.827 23.924 1.00 0.00 C ATOM 408 CG GLN A 501 6.138 9.394 24.928 1.00 0.00 C ATOM 409 CD GLN A 501 6.695 9.369 26.358 1.00 0.00 C ATOM 410 OE1 GLN A 501 7.045 8.314 26.891 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.786 10.490 27.034 1.00 0.00 N ATOM 0 H GLN A 501 5.889 10.613 22.711 1.00 0.00 H new ATOM 0 HA GLN A 501 7.512 8.494 21.846 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.500 7.856 24.285 1.00 0.00 H new ATOM 0 HB3 GLN A 501 8.032 9.483 23.908 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.882 10.417 24.652 1.00 0.00 H new ATOM 0 HG3 GLN A 501 5.218 8.811 24.883 1.00 0.00 H new ATOM 0 HE21 GLN A 501 6.500 11.370 26.604 1.00 0.00 H new ATOM 0 HE22 GLN A 501 7.143 10.482 27.989 1.00 0.00 H new ATOM 420 N ARG A 502 6.434 6.275 22.130 1.00 0.00 N ATOM 421 CA ARG A 502 5.849 4.947 21.831 1.00 0.00 C ATOM 422 C ARG A 502 5.215 4.833 20.429 1.00 0.00 C ATOM 423 O ARG A 502 4.552 3.834 20.147 1.00 0.00 O ATOM 424 CB ARG A 502 4.865 4.496 22.936 1.00 0.00 C ATOM 425 CG ARG A 502 5.208 4.836 24.399 1.00 0.00 C ATOM 426 CD ARG A 502 6.543 4.276 24.901 1.00 0.00 C ATOM 427 NE ARG A 502 6.823 4.760 26.278 1.00 0.00 N ATOM 428 CZ ARG A 502 6.336 4.291 27.414 1.00 0.00 C ATOM 429 NH1 ARG A 502 5.563 3.230 27.470 1.00 0.00 N ATOM 430 NH2 ARG A 502 6.609 4.897 28.533 1.00 0.00 N ATOM 0 H ARG A 502 7.452 6.239 22.191 1.00 0.00 H new ATOM 0 HA ARG A 502 6.694 4.259 21.821 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.891 4.931 22.713 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.755 3.414 22.863 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.222 5.920 24.510 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.410 4.460 25.040 1.00 0.00 H new ATOM 0 HD2 ARG A 502 6.515 3.186 24.890 1.00 0.00 H new ATOM 0 HD3 ARG A 502 7.347 4.580 24.231 1.00 0.00 H new ATOM 0 HE ARG A 502 7.467 5.547 26.356 1.00 0.00 H new ATOM 0 HH11 ARG A 502 5.316 2.733 26.614 1.00 0.00 H new ATOM 0 HH12 ARG A 502 5.210 2.903 28.369 1.00 0.00 H new ATOM 0 HH21 ARG A 502 7.197 5.731 28.531 1.00 0.00 H new ATOM 0 HH22 ARG A 502 6.235 4.538 29.412 1.00 0.00 H new ATOM 444 N ASP A 503 5.434 5.812 19.545 1.00 0.00 N ATOM 445 CA ASP A 503 5.050 5.721 18.121 1.00 0.00 C ATOM 446 C ASP A 503 6.234 5.172 17.307 1.00 0.00 C ATOM 447 O ASP A 503 7.377 5.219 17.768 1.00 0.00 O ATOM 448 CB ASP A 503 4.631 7.092 17.554 1.00 0.00 C ATOM 449 CG ASP A 503 3.248 7.590 18.032 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.421 6.790 18.544 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.945 8.790 17.825 1.00 0.00 O ATOM 0 H ASP A 503 5.883 6.694 19.791 1.00 0.00 H new ATOM 0 HA ASP A 503 4.194 5.050 18.046 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.384 7.830 17.830 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.626 7.034 16.466 1.00 0.00 H new ATOM 456 N VAL A 504 5.973 4.688 16.088 1.00 0.00 N ATOM 457 CA VAL A 504 6.980 4.123 15.180 1.00 0.00 C ATOM 458 C VAL A 504 6.878 4.768 13.798 1.00 0.00 C ATOM 459 O VAL A 504 5.780 4.990 13.280 1.00 0.00 O ATOM 460 CB VAL A 504 6.892 2.586 15.146 1.00 0.00 C ATOM 461 CG1 VAL A 504 5.592 2.047 14.551 1.00 0.00 C ATOM 462 CG2 VAL A 504 8.075 1.927 14.396 1.00 0.00 C ATOM 0 H VAL A 504 5.032 4.678 15.694 1.00 0.00 H new ATOM 0 HA VAL A 504 7.975 4.358 15.559 1.00 0.00 H new ATOM 0 HB VAL A 504 6.928 2.314 16.201 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.610 0.957 14.564 1.00 0.00 H new ATOM 0 HG12 VAL A 504 4.747 2.403 15.141 1.00 0.00 H new ATOM 0 HG13 VAL A 504 5.490 2.396 13.523 1.00 0.00 H new ATOM 0 HG21 VAL A 504 7.955 0.844 14.407 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.094 2.279 13.365 1.00 0.00 H new ATOM 0 HG23 VAL A 504 9.011 2.193 14.887 1.00 0.00 H new ATOM 472 N LEU A 505 8.028 5.115 13.200 1.00 0.00 N ATOM 473 CA LEU A 505 8.124 5.953 11.998 1.00 0.00 C ATOM 474 C LEU A 505 9.057 5.342 10.979 1.00 0.00 C ATOM 475 O LEU A 505 10.000 4.602 11.297 1.00 0.00 O ATOM 476 CB LEU A 505 8.593 7.371 12.381 1.00 0.00 C ATOM 477 CG LEU A 505 7.787 8.071 13.495 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.555 9.275 14.017 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.408 8.544 13.035 1.00 0.00 C ATOM 0 H LEU A 505 8.938 4.813 13.548 1.00 0.00 H new ATOM 0 HA LEU A 505 7.135 6.017 11.545 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.636 7.315 12.694 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.561 7.996 11.489 1.00 0.00 H new ATOM 0 HG LEU A 505 7.643 7.326 14.277 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.978 9.762 14.803 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.513 8.948 14.420 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.725 9.979 13.202 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.893 9.027 13.865 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.521 9.254 12.216 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.824 7.688 12.695 1.00 0.00 H new ATOM 491 N GLU A 506 8.816 5.679 9.700 1.00 0.00 N ATOM 492 CA GLU A 506 9.608 5.259 8.528 1.00 0.00 C ATOM 493 C GLU A 506 10.682 6.305 8.256 1.00 0.00 C ATOM 494 O GLU A 506 10.392 7.406 7.771 1.00 0.00 O ATOM 495 CB GLU A 506 8.664 5.084 7.369 1.00 0.00 C ATOM 496 CG GLU A 506 9.309 4.785 6.011 1.00 0.00 C ATOM 497 CD GLU A 506 8.337 4.389 4.967 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.224 5.034 4.954 1.00 0.00 O ATOM 499 OE2 GLU A 506 8.542 3.496 4.085 1.00 0.00 O ATOM 0 H GLU A 506 8.031 6.277 9.443 1.00 0.00 H new ATOM 0 HA GLU A 506 10.117 4.311 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 506 7.975 4.273 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.067 5.991 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 506 9.852 5.668 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.042 3.988 6.134 1.00 0.00 H new ATOM 506 N VAL A 507 11.956 6.006 8.562 1.00 0.00 N ATOM 507 CA VAL A 507 13.092 6.872 8.200 1.00 0.00 C ATOM 508 C VAL A 507 13.363 6.767 6.693 1.00 0.00 C ATOM 509 O VAL A 507 13.131 5.729 6.069 1.00 0.00 O ATOM 510 CB VAL A 507 14.350 6.488 9.013 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.431 7.569 8.922 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.083 6.191 10.476 1.00 0.00 C ATOM 0 H VAL A 507 12.227 5.161 9.065 1.00 0.00 H new ATOM 0 HA VAL A 507 12.842 7.905 8.440 1.00 0.00 H new ATOM 0 HB VAL A 507 14.696 5.564 8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.300 7.265 9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.723 7.705 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.041 8.508 9.315 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.019 5.931 10.971 1.00 0.00 H new ATOM 0 HG22 VAL A 507 13.653 7.071 10.953 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.386 5.357 10.557 1.00 0.00 H new ATOM 522 N LEU A 508 13.921 7.841 6.136 1.00 0.00 N ATOM 523 CA LEU A 508 14.196 8.087 4.715 1.00 0.00 C ATOM 524 C LEU A 508 15.640 8.619 4.489 1.00 0.00 C ATOM 525 O LEU A 508 16.142 8.477 3.366 1.00 0.00 O ATOM 526 CB LEU A 508 13.194 9.148 4.186 1.00 0.00 C ATOM 527 CG LEU A 508 11.700 8.842 4.403 1.00 0.00 C ATOM 528 CD1 LEU A 508 10.873 10.057 4.059 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.231 7.680 3.542 1.00 0.00 C ATOM 0 H LEU A 508 14.218 8.629 6.712 1.00 0.00 H new ATOM 0 HA LEU A 508 14.091 7.141 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.421 10.101 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.365 9.278 3.117 1.00 0.00 H new ATOM 0 HG LEU A 508 11.573 8.574 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 508 9.817 9.834 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.166 10.890 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.037 10.325 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.172 7.496 3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.381 7.923 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.803 6.787 3.793 1.00 0.00 H new ATOM 541 N ASP A 509 16.288 9.209 5.508 1.00 0.00 N ATOM 542 CA ASP A 509 17.704 9.570 5.454 1.00 0.00 C ATOM 543 C ASP A 509 18.302 9.685 6.877 1.00 0.00 C ATOM 544 O ASP A 509 17.677 10.282 7.761 1.00 0.00 O ATOM 545 CB ASP A 509 17.876 10.923 4.698 1.00 0.00 C ATOM 546 CG ASP A 509 19.342 11.167 4.337 1.00 0.00 C ATOM 547 OD1 ASP A 509 20.091 11.662 5.246 1.00 0.00 O ATOM 548 OD2 ASP A 509 19.759 10.921 3.215 1.00 0.00 O ATOM 0 H ASP A 509 15.838 9.447 6.392 1.00 0.00 H new ATOM 0 HA ASP A 509 18.238 8.783 4.920 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.271 10.917 3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.510 11.740 5.320 1.00 0.00 H new ATOM 553 N ASP A 510 19.488 9.103 7.100 1.00 0.00 N ATOM 554 CA ASP A 510 20.051 8.824 8.435 1.00 0.00 C ATOM 555 C ASP A 510 21.578 9.090 8.558 1.00 0.00 C ATOM 556 O ASP A 510 22.307 8.373 9.252 1.00 0.00 O ATOM 557 CB ASP A 510 19.655 7.414 8.906 1.00 0.00 C ATOM 558 CG ASP A 510 19.847 6.307 7.848 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.042 6.008 7.490 1.00 0.00 O ATOM 560 OD2 ASP A 510 18.871 5.721 7.381 1.00 0.00 O ATOM 0 H ASP A 510 20.100 8.805 6.341 1.00 0.00 H new ATOM 0 HA ASP A 510 19.603 9.550 9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.243 7.161 9.788 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.609 7.428 9.213 1.00 0.00 H new ATOM 565 N SER A 511 22.084 10.149 7.904 1.00 0.00 N ATOM 566 CA SER A 511 23.522 10.479 7.828 1.00 0.00 C ATOM 567 C SER A 511 23.936 11.670 8.719 1.00 0.00 C ATOM 568 O SER A 511 25.084 12.123 8.679 1.00 0.00 O ATOM 569 CB SER A 511 23.894 10.677 6.363 1.00 0.00 C ATOM 570 OG SER A 511 25.284 10.467 6.119 1.00 0.00 O ATOM 0 H SER A 511 21.495 10.814 7.403 1.00 0.00 H new ATOM 0 HA SER A 511 24.090 9.644 8.238 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.313 9.990 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 511 23.623 11.687 6.056 1.00 0.00 H new ATOM 0 HG SER A 511 25.809 10.902 6.823 1.00 0.00 H new ATOM 576 N ARG A 512 22.998 12.208 9.519 1.00 0.00 N ATOM 577 CA ARG A 512 23.127 13.465 10.286 1.00 0.00 C ATOM 578 C ARG A 512 22.424 13.390 11.655 1.00 0.00 C ATOM 579 O ARG A 512 21.751 12.407 11.964 1.00 0.00 O ATOM 580 CB ARG A 512 22.557 14.617 9.426 1.00 0.00 C ATOM 581 CG ARG A 512 23.342 14.847 8.120 1.00 0.00 C ATOM 582 CD ARG A 512 22.770 16.007 7.289 1.00 0.00 C ATOM 583 NE ARG A 512 22.551 15.627 5.870 1.00 0.00 N ATOM 584 CZ ARG A 512 21.747 14.671 5.439 1.00 0.00 C ATOM 585 NH1 ARG A 512 20.900 14.064 6.227 1.00 0.00 N ATOM 586 NH2 ARG A 512 21.793 14.263 4.211 1.00 0.00 N ATOM 0 H ARG A 512 22.091 11.762 9.656 1.00 0.00 H new ATOM 0 HA ARG A 512 24.181 13.643 10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.517 14.400 9.183 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.563 15.536 10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.385 15.054 8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.326 13.934 7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 512 21.826 16.333 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 512 23.453 16.856 7.335 1.00 0.00 H new ATOM 0 HE ARG A 512 23.068 16.151 5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 512 20.843 14.324 7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 512 20.295 13.330 5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 512 22.457 14.681 3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 512 21.165 13.524 3.895 1.00 0.00 H new ATOM 600 N LYS A 513 22.558 14.450 12.466 1.00 0.00 N ATOM 601 CA LYS A 513 21.958 14.606 13.815 1.00 0.00 C ATOM 602 C LYS A 513 20.422 14.658 13.844 1.00 0.00 C ATOM 603 O LYS A 513 19.816 14.495 14.901 1.00 0.00 O ATOM 604 CB LYS A 513 22.481 15.906 14.448 1.00 0.00 C ATOM 605 CG LYS A 513 23.984 15.963 14.729 1.00 0.00 C ATOM 606 CD LYS A 513 24.406 15.043 15.883 1.00 0.00 C ATOM 607 CE LYS A 513 25.857 15.287 16.329 1.00 0.00 C ATOM 608 NZ LYS A 513 26.856 14.832 15.340 1.00 0.00 N ATOM 0 H LYS A 513 23.111 15.263 12.194 1.00 0.00 H new ATOM 0 HA LYS A 513 22.252 13.713 14.366 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.224 16.736 13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 513 21.951 16.068 15.386 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.529 15.682 13.828 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.267 16.989 14.966 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.738 15.198 16.730 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.294 14.004 15.575 1.00 0.00 H new ATOM 0 HE2 LYS A 513 25.999 16.352 16.515 1.00 0.00 H new ATOM 0 HE3 LYS A 513 26.031 14.772 17.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.813 15.024 15.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 26.745 13.810 15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.714 15.341 14.444 1.00 0.00 H new ATOM 622 N TRP A 514 19.783 14.889 12.703 1.00 0.00 N ATOM 623 CA TRP A 514 18.328 14.828 12.548 1.00 0.00 C ATOM 624 C TRP A 514 18.006 13.982 11.320 1.00 0.00 C ATOM 625 O TRP A 514 18.558 14.224 10.240 1.00 0.00 O ATOM 626 CB TRP A 514 17.731 16.231 12.374 1.00 0.00 C ATOM 627 CG TRP A 514 17.748 17.158 13.556 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.821 17.585 14.266 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.598 17.832 14.152 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.404 18.411 15.292 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.040 18.596 15.270 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.224 17.877 13.849 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.145 19.329 16.066 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.321 18.617 14.630 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.782 19.340 15.750 1.00 0.00 C ATOM 0 H TRP A 514 20.269 15.129 11.839 1.00 0.00 H new ATOM 0 HA TRP A 514 17.894 14.385 13.444 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.263 16.721 11.558 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.695 16.116 12.055 1.00 0.00 H new ATOM 0 HD1 TRP A 514 19.847 17.319 14.061 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.029 18.831 15.980 1.00 0.00 H new ATOM 0 HE3 TRP A 514 14.855 17.329 12.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.508 19.883 16.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.272 18.632 14.373 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.087 19.899 16.360 1.00 0.00 H new ATOM 646 N TRP A 515 17.136 12.980 11.476 1.00 0.00 N ATOM 647 CA TRP A 515 16.754 12.092 10.374 1.00 0.00 C ATOM 648 C TRP A 515 15.461 12.566 9.725 1.00 0.00 C ATOM 649 O TRP A 515 14.554 13.092 10.375 1.00 0.00 O ATOM 650 CB TRP A 515 16.676 10.621 10.814 1.00 0.00 C ATOM 651 CG TRP A 515 17.923 10.002 11.389 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.144 10.575 11.503 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.095 8.636 11.876 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.041 9.674 12.036 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.453 8.449 12.255 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.229 7.537 11.994 1.00 0.00 C ATOM 657 CZ2 TRP A 515 19.939 7.210 12.711 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.707 6.285 12.433 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.054 6.122 12.796 1.00 0.00 C ATOM 0 H TRP A 515 16.680 12.762 12.362 1.00 0.00 H new ATOM 0 HA TRP A 515 17.541 12.141 9.621 1.00 0.00 H new ATOM 0 HB2 TRP A 515 15.883 10.533 11.557 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.372 10.027 9.952 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.381 11.589 11.218 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.017 9.888 12.242 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.184 7.652 11.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 20.976 7.097 12.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.032 5.444 12.491 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.409 5.162 13.140 1.00 0.00 H new ATOM 670 N LYS A 516 15.379 12.374 8.410 1.00 0.00 N ATOM 671 CA LYS A 516 14.157 12.588 7.643 1.00 0.00 C ATOM 672 C LYS A 516 13.336 11.318 7.792 1.00 0.00 C ATOM 673 O LYS A 516 13.783 10.242 7.389 1.00 0.00 O ATOM 674 CB LYS A 516 14.509 12.865 6.182 1.00 0.00 C ATOM 675 CG LYS A 516 13.268 13.349 5.415 1.00 0.00 C ATOM 676 CD LYS A 516 13.618 13.580 3.950 1.00 0.00 C ATOM 677 CE LYS A 516 12.376 14.026 3.150 1.00 0.00 C ATOM 678 NZ LYS A 516 12.710 14.300 1.749 1.00 0.00 N ATOM 0 H LYS A 516 16.168 12.062 7.843 1.00 0.00 H new ATOM 0 HA LYS A 516 13.590 13.448 8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.295 13.618 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 516 14.901 11.960 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.470 12.611 5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 516 12.894 14.272 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.397 14.339 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.023 12.664 3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.613 13.249 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 516 11.950 14.920 3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 11.853 14.597 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.421 15.058 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.093 13.439 1.309 1.00 0.00 H new ATOM 692 N VAL A 517 12.161 11.458 8.381 1.00 0.00 N ATOM 693 CA VAL A 517 11.189 10.387 8.597 1.00 0.00 C ATOM 694 C VAL A 517 9.845 10.716 7.936 1.00 0.00 C ATOM 695 O VAL A 517 9.693 11.786 7.336 1.00 0.00 O ATOM 696 CB VAL A 517 11.020 10.026 10.085 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.342 9.763 10.798 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.305 11.156 10.843 1.00 0.00 C ATOM 0 H VAL A 517 11.840 12.357 8.739 1.00 0.00 H new ATOM 0 HA VAL A 517 11.591 9.497 8.113 1.00 0.00 H new ATOM 0 HB VAL A 517 10.431 9.109 10.091 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.149 9.515 11.842 1.00 0.00 H new ATOM 0 HG12 VAL A 517 12.856 8.932 10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 517 12.967 10.655 10.747 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.197 10.879 11.892 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.891 12.072 10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.319 11.320 10.407 1.00 0.00 H new ATOM 708 N ARG A 518 8.863 9.817 8.070 1.00 0.00 N ATOM 709 CA ARG A 518 7.471 10.031 7.682 1.00 0.00 C ATOM 710 C ARG A 518 6.542 9.526 8.781 1.00 0.00 C ATOM 711 O ARG A 518 6.689 8.388 9.238 1.00 0.00 O ATOM 712 CB ARG A 518 7.234 9.375 6.308 1.00 0.00 C ATOM 713 CG ARG A 518 5.839 9.630 5.736 1.00 0.00 C ATOM 714 CD ARG A 518 5.747 9.275 4.246 1.00 0.00 C ATOM 715 NE ARG A 518 5.984 7.836 3.988 1.00 0.00 N ATOM 716 CZ ARG A 518 5.564 7.163 2.895 1.00 0.00 C ATOM 717 NH1 ARG A 518 4.816 7.715 1.946 1.00 0.00 N ATOM 718 NH2 ARG A 518 5.906 5.895 2.730 1.00 0.00 N ATOM 0 H ARG A 518 9.025 8.891 8.465 1.00 0.00 H new ATOM 0 HA ARG A 518 7.248 11.092 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 518 7.979 9.747 5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.389 8.300 6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.108 9.044 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.578 10.679 5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.761 9.550 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.476 9.865 3.690 1.00 0.00 H new ATOM 0 HE ARG A 518 6.505 7.312 4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 518 4.533 8.692 2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.525 7.162 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 518 6.486 5.428 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 518 5.590 5.385 1.905 1.00 0.00 H new ATOM 732 N ASP A 519 5.622 10.377 9.247 1.00 0.00 N ATOM 733 CA ASP A 519 4.593 10.004 10.217 1.00 0.00 C ATOM 734 C ASP A 519 3.543 9.086 9.566 1.00 0.00 C ATOM 735 O ASP A 519 3.343 9.137 8.345 1.00 0.00 O ATOM 736 CB ASP A 519 3.938 11.246 10.792 1.00 0.00 C ATOM 737 CG ASP A 519 4.580 11.731 12.098 1.00 0.00 C ATOM 738 OD1 ASP A 519 5.497 12.543 12.068 1.00 0.00 O ATOM 739 OD2 ASP A 519 4.085 11.268 13.187 1.00 0.00 O ATOM 0 H ASP A 519 5.572 11.354 8.957 1.00 0.00 H new ATOM 0 HA ASP A 519 5.065 9.455 11.031 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.986 12.047 10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 519 2.883 11.040 10.970 1.00 0.00 H new ATOM 744 N PRO A 520 2.793 8.308 10.368 1.00 0.00 N ATOM 745 CA PRO A 520 1.772 7.383 9.879 1.00 0.00 C ATOM 746 C PRO A 520 0.568 8.088 9.217 1.00 0.00 C ATOM 747 O PRO A 520 -0.230 7.444 8.528 1.00 0.00 O ATOM 748 CB PRO A 520 1.377 6.542 11.081 1.00 0.00 C ATOM 749 CG PRO A 520 1.649 7.463 12.276 1.00 0.00 C ATOM 750 CD PRO A 520 2.878 8.245 11.814 1.00 0.00 C ATOM 0 HA PRO A 520 2.166 6.764 9.073 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.329 6.245 11.035 1.00 0.00 H new ATOM 0 HB3 PRO A 520 1.965 5.626 11.139 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.804 8.120 12.484 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.846 6.899 13.188 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.890 9.245 12.248 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.796 7.750 12.129 1.00 0.00 H new ATOM 758 N ALA A 521 0.434 9.410 9.402 1.00 0.00 N ATOM 759 CA ALA A 521 -0.562 10.270 8.755 1.00 0.00 C ATOM 760 C ALA A 521 -0.178 10.679 7.316 1.00 0.00 C ATOM 761 O ALA A 521 -1.015 11.216 6.582 1.00 0.00 O ATOM 762 CB ALA A 521 -0.731 11.514 9.630 1.00 0.00 C ATOM 0 H ALA A 521 1.044 9.929 10.034 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.493 9.711 8.662 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.467 12.179 9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.070 11.217 10.622 1.00 0.00 H new ATOM 0 HB3 ALA A 521 0.224 12.033 9.713 1.00 0.00 H new ATOM 768 N GLY A 522 1.078 10.448 6.911 1.00 0.00 N ATOM 769 CA GLY A 522 1.583 10.710 5.559 1.00 0.00 C ATOM 770 C GLY A 522 2.420 11.984 5.416 1.00 0.00 C ATOM 771 O GLY A 522 2.371 12.634 4.370 1.00 0.00 O ATOM 0 H GLY A 522 1.789 10.063 7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.186 9.859 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.735 10.772 4.877 1.00 0.00 H new ATOM 775 N GLN A 523 3.148 12.361 6.465 1.00 0.00 N ATOM 776 CA GLN A 523 3.823 13.660 6.580 1.00 0.00 C ATOM 777 C GLN A 523 5.345 13.459 6.726 1.00 0.00 C ATOM 778 O GLN A 523 5.760 12.740 7.630 1.00 0.00 O ATOM 779 CB GLN A 523 3.265 14.404 7.812 1.00 0.00 C ATOM 780 CG GLN A 523 1.771 14.593 7.749 1.00 0.00 C ATOM 781 CD GLN A 523 1.240 15.638 8.746 1.00 0.00 C ATOM 782 OE1 GLN A 523 0.772 16.715 8.378 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.288 15.380 10.039 1.00 0.00 N ATOM 0 H GLN A 523 3.291 11.762 7.278 1.00 0.00 H new ATOM 0 HA GLN A 523 3.640 14.248 5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.519 13.847 8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.747 15.378 7.893 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.493 14.893 6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.284 13.637 7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 523 1.672 14.494 10.368 1.00 0.00 H new ATOM 0 HE22 GLN A 523 0.942 16.066 10.709 1.00 0.00 H new ATOM 792 N GLU A 524 6.146 14.087 5.875 1.00 0.00 N ATOM 793 CA GLU A 524 7.613 13.927 5.856 1.00 0.00 C ATOM 794 C GLU A 524 8.367 15.113 6.518 1.00 0.00 C ATOM 795 O GLU A 524 7.915 16.246 6.413 1.00 0.00 O ATOM 796 CB GLU A 524 8.151 13.736 4.364 1.00 0.00 C ATOM 797 CG GLU A 524 7.715 12.477 3.755 1.00 0.00 C ATOM 798 CD GLU A 524 8.155 12.415 2.242 1.00 0.00 C ATOM 799 OE1 GLU A 524 9.342 12.589 1.927 1.00 0.00 O ATOM 800 OE2 GLU A 524 7.277 12.181 1.351 1.00 0.00 O ATOM 0 H GLU A 524 5.801 14.733 5.165 1.00 0.00 H new ATOM 0 HA GLU A 524 7.817 13.033 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.807 14.568 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.240 13.773 4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.143 11.635 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.631 12.386 3.829 1.00 0.00 H new ATOM 807 N GLY A 525 9.535 14.855 7.095 1.00 0.00 N ATOM 808 CA GLY A 525 10.320 15.934 7.687 1.00 0.00 C ATOM 809 C GLY A 525 11.330 15.458 8.732 1.00 0.00 C ATOM 810 O GLY A 525 11.447 14.259 9.000 1.00 0.00 O ATOM 0 H GLY A 525 9.954 13.928 7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.851 16.461 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.643 16.652 8.150 1.00 0.00 H new ATOM 814 N TYR A 526 12.044 16.437 9.294 1.00 0.00 N ATOM 815 CA TYR A 526 13.177 16.246 10.177 1.00 0.00 C ATOM 816 C TYR A 526 12.761 16.150 11.642 1.00 0.00 C ATOM 817 O TYR A 526 11.967 16.956 12.129 1.00 0.00 O ATOM 818 CB TYR A 526 14.205 17.351 9.943 1.00 0.00 C ATOM 819 CG TYR A 526 14.904 17.239 8.597 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.743 16.139 8.351 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.677 18.193 7.592 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.322 15.981 7.068 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.262 18.044 6.319 1.00 0.00 C ATOM 824 CZ TYR A 526 16.072 16.930 6.058 1.00 0.00 C ATOM 825 OH TYR A 526 16.585 16.754 4.809 1.00 0.00 O ATOM 0 H TYR A 526 11.832 17.422 9.134 1.00 0.00 H new ATOM 0 HA TYR A 526 13.638 15.288 9.938 1.00 0.00 H new ATOM 0 HB2 TYR A 526 13.710 18.320 10.009 1.00 0.00 H new ATOM 0 HB3 TYR A 526 14.951 17.319 10.737 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.944 15.421 9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.049 19.048 7.796 1.00 0.00 H new ATOM 0 HE1 TYR A 526 16.956 15.131 6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.088 18.782 5.550 1.00 0.00 H new ATOM 0 HH TYR A 526 16.315 17.502 4.236 1.00 0.00 H new ATOM 835 N VAL A 527 13.341 15.158 12.334 1.00 0.00 N ATOM 836 CA VAL A 527 13.167 14.894 13.766 1.00 0.00 C ATOM 837 C VAL A 527 14.530 14.562 14.400 1.00 0.00 C ATOM 838 O VAL A 527 15.389 13.954 13.746 1.00 0.00 O ATOM 839 CB VAL A 527 12.145 13.776 14.017 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.724 14.207 13.606 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.493 12.478 13.296 1.00 0.00 C ATOM 0 H VAL A 527 13.971 14.490 11.889 1.00 0.00 H new ATOM 0 HA VAL A 527 12.769 15.792 14.238 1.00 0.00 H new ATOM 0 HB VAL A 527 12.179 13.590 15.090 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.027 13.391 13.797 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.427 15.082 14.185 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.711 14.453 12.544 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.734 11.727 13.513 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.530 12.657 12.221 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.464 12.121 13.638 1.00 0.00 H new ATOM 851 N PRO A 528 14.765 14.959 15.669 1.00 0.00 N ATOM 852 CA PRO A 528 16.068 14.827 16.329 1.00 0.00 C ATOM 853 C PRO A 528 16.431 13.364 16.549 1.00 0.00 C ATOM 854 O PRO A 528 15.647 12.596 17.112 1.00 0.00 O ATOM 855 CB PRO A 528 15.928 15.594 17.640 1.00 0.00 C ATOM 856 CG PRO A 528 14.419 15.571 17.943 1.00 0.00 C ATOM 857 CD PRO A 528 13.809 15.604 16.555 1.00 0.00 C ATOM 0 HA PRO A 528 16.880 15.229 15.723 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.500 15.122 18.439 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.298 16.615 17.544 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.129 14.676 18.493 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.112 16.428 18.543 1.00 0.00 H new ATOM 0 HD2 PRO A 528 12.852 15.082 16.539 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.618 16.630 16.239 1.00 0.00 H new ATOM 865 N TYR A 529 17.639 12.948 16.160 1.00 0.00 N ATOM 866 CA TYR A 529 18.049 11.532 16.308 1.00 0.00 C ATOM 867 C TYR A 529 18.091 11.047 17.766 1.00 0.00 C ATOM 868 O TYR A 529 18.052 9.832 18.000 1.00 0.00 O ATOM 869 CB TYR A 529 19.372 11.253 15.590 1.00 0.00 C ATOM 870 CG TYR A 529 20.671 11.526 16.356 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.840 12.703 17.103 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.709 10.576 16.330 1.00 0.00 C ATOM 873 CE1 TYR A 529 22.017 12.933 17.840 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.900 10.798 17.052 1.00 0.00 C ATOM 875 CZ TYR A 529 23.050 11.980 17.808 1.00 0.00 C ATOM 876 OH TYR A 529 24.195 12.207 18.515 1.00 0.00 O ATOM 0 H TYR A 529 18.347 13.554 15.745 1.00 0.00 H new ATOM 0 HA TYR A 529 17.266 10.948 15.824 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.375 10.206 15.288 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.390 11.848 14.677 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.054 13.444 17.112 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.593 9.670 15.753 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.126 13.834 18.425 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.694 10.066 17.026 1.00 0.00 H new ATOM 0 HH TYR A 529 24.811 11.455 18.391 1.00 0.00 H new ATOM 886 N ASN A 530 18.133 11.958 18.754 1.00 0.00 N ATOM 887 CA ASN A 530 18.184 11.555 20.169 1.00 0.00 C ATOM 888 C ASN A 530 16.868 10.927 20.661 1.00 0.00 C ATOM 889 O ASN A 530 16.901 10.135 21.606 1.00 0.00 O ATOM 890 CB ASN A 530 18.601 12.762 21.047 1.00 0.00 C ATOM 891 CG ASN A 530 17.404 13.566 21.531 1.00 0.00 C ATOM 892 OD1 ASN A 530 16.854 14.378 20.814 1.00 0.00 O ATOM 893 ND2 ASN A 530 16.929 13.312 22.726 1.00 0.00 N ATOM 0 H ASN A 530 18.133 12.966 18.601 1.00 0.00 H new ATOM 0 HA ASN A 530 18.937 10.773 20.260 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.167 12.404 21.907 1.00 0.00 H new ATOM 0 HB3 ASN A 530 19.265 13.411 20.476 1.00 0.00 H new ATOM 0 HD21 ASN A 530 16.095 13.797 23.057 1.00 0.00 H new ATOM 0 HD22 ASN A 530 17.394 12.630 23.325 1.00 0.00 H new ATOM 900 N ILE A 531 15.719 11.262 20.043 1.00 0.00 N ATOM 901 CA ILE A 531 14.413 10.656 20.405 1.00 0.00 C ATOM 902 C ILE A 531 14.150 9.380 19.613 1.00 0.00 C ATOM 903 O ILE A 531 13.158 8.711 19.896 1.00 0.00 O ATOM 904 CB ILE A 531 13.227 11.650 20.289 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.746 11.885 18.848 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.543 12.961 21.013 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.601 12.895 18.699 1.00 0.00 C ATOM 0 H ILE A 531 15.664 11.948 19.290 1.00 0.00 H new ATOM 0 HA ILE A 531 14.485 10.389 21.459 1.00 0.00 H new ATOM 0 HB ILE A 531 12.382 11.176 20.789 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.591 12.227 18.251 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.425 10.931 18.429 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.697 13.642 20.918 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.729 12.758 22.068 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.428 13.417 20.570 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.335 12.990 17.646 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.735 12.549 19.263 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.919 13.865 19.082 1.00 0.00 H new ATOM 919 N LEU A 532 14.993 9.028 18.631 1.00 0.00 N ATOM 920 CA LEU A 532 14.825 7.787 17.857 1.00 0.00 C ATOM 921 C LEU A 532 15.634 6.627 18.468 1.00 0.00 C ATOM 922 O LEU A 532 16.807 6.798 18.831 1.00 0.00 O ATOM 923 CB LEU A 532 15.290 8.069 16.410 1.00 0.00 C ATOM 924 CG LEU A 532 14.580 9.244 15.708 1.00 0.00 C ATOM 925 CD1 LEU A 532 15.082 9.343 14.278 1.00 0.00 C ATOM 926 CD2 LEU A 532 13.052 9.108 15.686 1.00 0.00 C ATOM 0 H LEU A 532 15.800 9.586 18.353 1.00 0.00 H new ATOM 0 HA LEU A 532 13.778 7.484 17.872 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.362 8.268 16.422 1.00 0.00 H new ATOM 0 HB3 LEU A 532 15.140 7.168 15.815 1.00 0.00 H new ATOM 0 HG LEU A 532 14.814 10.142 16.280 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.585 10.172 13.774 1.00 0.00 H new ATOM 0 HD12 LEU A 532 16.159 9.514 14.281 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.864 8.414 13.751 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.617 9.969 15.177 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.775 8.196 15.157 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.676 9.063 16.708 1.00 0.00 H new ATOM 938 N THR A 533 15.049 5.423 18.505 1.00 0.00 N ATOM 939 CA THR A 533 15.744 4.159 18.840 1.00 0.00 C ATOM 940 C THR A 533 15.436 3.080 17.780 1.00 0.00 C ATOM 941 O THR A 533 14.279 2.982 17.341 1.00 0.00 O ATOM 942 CB THR A 533 15.435 3.710 20.269 1.00 0.00 C ATOM 943 OG1 THR A 533 16.287 2.635 20.651 1.00 0.00 O ATOM 944 CG2 THR A 533 14.003 3.243 20.529 1.00 0.00 C ATOM 0 H THR A 533 14.059 5.290 18.300 1.00 0.00 H new ATOM 0 HA THR A 533 16.820 4.331 18.814 1.00 0.00 H new ATOM 0 HB THR A 533 15.596 4.615 20.854 1.00 0.00 H new ATOM 0 HG1 THR A 533 16.077 2.361 21.568 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.900 2.949 21.574 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.310 4.056 20.311 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.776 2.391 19.888 1.00 0.00 H new ATOM 952 N PRO A 534 16.437 2.293 17.321 1.00 0.00 N ATOM 953 CA PRO A 534 16.262 1.258 16.303 1.00 0.00 C ATOM 954 C PRO A 534 15.329 0.150 16.792 1.00 0.00 C ATOM 955 O PRO A 534 15.653 -0.597 17.723 1.00 0.00 O ATOM 956 CB PRO A 534 17.663 0.755 15.947 1.00 0.00 C ATOM 957 CG PRO A 534 18.493 1.072 17.198 1.00 0.00 C ATOM 958 CD PRO A 534 17.839 2.352 17.718 1.00 0.00 C ATOM 0 HA PRO A 534 15.778 1.652 15.410 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.661 -0.313 15.728 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.058 1.261 15.066 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.446 0.266 17.931 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.546 1.223 16.958 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.932 2.422 18.802 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.324 3.233 17.298 1.00 0.00 H new ATOM 966 N TYR A 535 14.142 0.062 16.181 1.00 0.00 N ATOM 967 CA TYR A 535 13.069 -0.848 16.610 1.00 0.00 C ATOM 968 C TYR A 535 13.463 -2.336 16.376 1.00 0.00 C ATOM 969 O TYR A 535 14.016 -2.651 15.313 1.00 0.00 O ATOM 970 CB TYR A 535 11.798 -0.447 15.890 1.00 0.00 C ATOM 971 CG TYR A 535 10.516 -1.012 16.482 1.00 0.00 C ATOM 972 CD1 TYR A 535 10.102 -0.600 17.759 1.00 0.00 C ATOM 973 CD2 TYR A 535 9.749 -1.945 15.766 1.00 0.00 C ATOM 974 CE1 TYR A 535 8.928 -1.118 18.333 1.00 0.00 C ATOM 975 CE2 TYR A 535 8.579 -2.484 16.327 1.00 0.00 C ATOM 976 CZ TYR A 535 8.170 -2.067 17.612 1.00 0.00 C ATOM 977 OH TYR A 535 7.033 -2.585 18.167 1.00 0.00 O ATOM 0 H TYR A 535 13.895 0.625 15.367 1.00 0.00 H new ATOM 0 HA TYR A 535 12.901 -0.763 17.684 1.00 0.00 H new ATOM 0 HB2 TYR A 535 11.729 0.641 15.885 1.00 0.00 H new ATOM 0 HB3 TYR A 535 11.871 -0.766 14.850 1.00 0.00 H new ATOM 0 HD1 TYR A 535 10.691 0.122 18.305 1.00 0.00 H new ATOM 0 HD2 TYR A 535 10.060 -2.250 14.778 1.00 0.00 H new ATOM 0 HE1 TYR A 535 8.610 -0.794 19.313 1.00 0.00 H new ATOM 0 HE2 TYR A 535 7.998 -3.211 15.780 1.00 0.00 H new ATOM 0 HH TYR A 535 6.626 -3.223 17.544 1.00 0.00 H new ATOM 987 N PRO A 536 13.204 -3.265 17.328 1.00 0.00 N ATOM 988 CA PRO A 536 13.710 -4.645 17.289 1.00 0.00 C ATOM 989 C PRO A 536 12.948 -5.583 16.292 1.00 0.00 C ATOM 990 O PRO A 536 13.341 -6.757 16.181 1.00 0.00 O ATOM 991 CB PRO A 536 13.606 -5.152 18.718 1.00 0.00 C ATOM 992 CG PRO A 536 12.398 -4.394 19.270 1.00 0.00 C ATOM 993 CD PRO A 536 12.556 -3.026 18.608 1.00 0.00 C ATOM 0 HA PRO A 536 14.733 -4.652 16.913 1.00 0.00 H new ATOM 0 HB2 PRO A 536 13.455 -6.231 18.753 1.00 0.00 H new ATOM 0 HB3 PRO A 536 14.510 -4.939 19.288 1.00 0.00 H new ATOM 0 HG2 PRO A 536 11.457 -4.873 18.999 1.00 0.00 H new ATOM 0 HG3 PRO A 536 12.420 -4.327 20.358 1.00 0.00 H new ATOM 0 HD2 PRO A 536 11.587 -2.547 18.470 1.00 0.00 H new ATOM 0 HD3 PRO A 536 13.155 -2.360 19.229 1.00 0.00 H new ATOM 1001 N GLY A 537 11.907 -5.098 15.601 1.00 0.00 N ATOM 1002 CA GLY A 537 11.113 -5.881 14.646 1.00 0.00 C ATOM 1003 C GLY A 537 10.704 -5.067 13.385 1.00 0.00 C ATOM 1004 O GLY A 537 11.491 -5.177 12.386 1.00 0.00 O ATOM 0 H GLY A 537 11.588 -4.133 15.692 1.00 0.00 H new ATOM 0 HA2 GLY A 537 11.685 -6.756 14.337 1.00 0.00 H new ATOM 0 HA3 GLY A 537 10.214 -6.247 15.143 1.00 0.00 H new TER 1008 GLY A 537 ATOM 1009 N PRO B 538 18.311 15.706 26.503 1.00 0.00 N ATOM 1010 CA PRO B 538 18.585 16.794 25.551 1.00 0.00 C ATOM 1011 C PRO B 538 17.768 16.649 24.247 1.00 0.00 C ATOM 1012 O PRO B 538 18.267 16.074 23.282 1.00 0.00 O ATOM 1013 CB PRO B 538 20.107 16.829 25.319 1.00 0.00 C ATOM 1014 CG PRO B 538 20.533 15.371 25.589 1.00 0.00 C ATOM 1015 CD PRO B 538 19.600 15.032 26.767 1.00 0.00 C ATOM 0 HA PRO B 538 18.262 17.751 25.961 1.00 0.00 H new ATOM 0 HB2 PRO B 538 20.353 17.140 24.304 1.00 0.00 H new ATOM 0 HB3 PRO B 538 20.602 17.526 25.995 1.00 0.00 H new ATOM 0 HG2 PRO B 538 20.369 14.723 24.728 1.00 0.00 H new ATOM 0 HG3 PRO B 538 21.587 15.287 25.855 1.00 0.00 H new ATOM 0 HD2 PRO B 538 19.462 13.954 26.852 1.00 0.00 H new ATOM 0 HD3 PRO B 538 20.028 15.374 27.709 1.00 0.00 H new ATOM 1023 N PRO B 539 16.501 17.125 24.210 1.00 0.00 N ATOM 1024 CA PRO B 539 15.520 16.832 23.151 1.00 0.00 C ATOM 1025 C PRO B 539 15.777 17.498 21.787 1.00 0.00 C ATOM 1026 O PRO B 539 15.090 17.204 20.802 1.00 0.00 O ATOM 1027 CB PRO B 539 14.170 17.205 23.718 1.00 0.00 C ATOM 1028 CG PRO B 539 14.505 18.349 24.690 1.00 0.00 C ATOM 1029 CD PRO B 539 15.860 17.894 25.261 1.00 0.00 C ATOM 0 HA PRO B 539 15.593 15.774 22.900 1.00 0.00 H new ATOM 0 HB2 PRO B 539 13.480 17.527 22.938 1.00 0.00 H new ATOM 0 HB3 PRO B 539 13.702 16.365 24.230 1.00 0.00 H new ATOM 0 HG2 PRO B 539 14.578 19.310 24.180 1.00 0.00 H new ATOM 0 HG3 PRO B 539 13.750 18.458 25.468 1.00 0.00 H new ATOM 0 HD2 PRO B 539 16.471 18.751 25.545 1.00 0.00 H new ATOM 0 HD3 PRO B 539 15.722 17.290 26.158 1.00 0.00 H new ATOM 1037 N VAL B 540 16.773 18.386 21.703 1.00 0.00 N ATOM 1038 CA VAL B 540 17.299 18.982 20.446 1.00 0.00 C ATOM 1039 C VAL B 540 18.841 18.937 20.507 1.00 0.00 C ATOM 1040 O VAL B 540 19.464 19.755 21.200 1.00 0.00 O ATOM 1041 CB VAL B 540 16.749 20.422 20.221 1.00 0.00 C ATOM 1042 CG1 VAL B 540 17.513 21.315 19.312 1.00 0.00 C ATOM 1043 CG2 VAL B 540 15.295 20.347 19.680 1.00 0.00 C ATOM 0 H VAL B 540 17.260 18.729 22.531 1.00 0.00 H new ATOM 0 HA VAL B 540 16.959 18.407 19.585 1.00 0.00 H new ATOM 0 HB VAL B 540 16.832 20.873 21.210 1.00 0.00 H new ATOM 0 HG11 VAL B 540 17.015 22.283 19.250 1.00 0.00 H new ATOM 0 HG12 VAL B 540 18.523 21.450 19.699 1.00 0.00 H new ATOM 0 HG13 VAL B 540 17.562 20.868 18.319 1.00 0.00 H new ATOM 0 HG21 VAL B 540 14.913 21.356 19.523 1.00 0.00 H new ATOM 0 HG22 VAL B 540 15.286 19.805 18.734 1.00 0.00 H new ATOM 0 HG23 VAL B 540 14.665 19.828 20.402 1.00 0.00 H new ATOM 1053 N PRO B 541 19.483 17.964 19.824 1.00 0.00 N ATOM 1054 CA PRO B 541 20.929 17.902 19.586 1.00 0.00 C ATOM 1055 C PRO B 541 21.386 18.938 18.540 1.00 0.00 C ATOM 1056 O PRO B 541 20.596 19.762 18.055 1.00 0.00 O ATOM 1057 CB PRO B 541 21.200 16.464 19.179 1.00 0.00 C ATOM 1058 CG PRO B 541 19.901 16.015 18.492 1.00 0.00 C ATOM 1059 CD PRO B 541 18.845 16.775 19.288 1.00 0.00 C ATOM 0 HA PRO B 541 21.506 18.165 20.472 1.00 0.00 H new ATOM 0 HB2 PRO B 541 22.052 16.395 18.503 1.00 0.00 H new ATOM 0 HB3 PRO B 541 21.429 15.842 20.044 1.00 0.00 H new ATOM 0 HG2 PRO B 541 19.885 16.281 17.435 1.00 0.00 H new ATOM 0 HG3 PRO B 541 19.759 14.936 18.552 1.00 0.00 H new ATOM 0 HD2 PRO B 541 18.003 17.045 18.650 1.00 0.00 H new ATOM 0 HD3 PRO B 541 18.450 16.155 20.093 1.00 0.00 H new ATOM 1067 N ASN B 542 22.674 18.891 18.182 1.00 0.00 N ATOM 1068 CA ASN B 542 23.326 19.720 17.154 1.00 0.00 C ATOM 1069 C ASN B 542 22.543 19.777 15.810 1.00 0.00 C ATOM 1070 O ASN B 542 21.832 18.822 15.473 1.00 0.00 O ATOM 1071 CB ASN B 542 24.760 19.214 16.968 1.00 0.00 C ATOM 1072 CG ASN B 542 25.700 19.626 18.101 1.00 0.00 C ATOM 1073 OD1 ASN B 542 25.529 19.235 19.250 1.00 0.00 O ATOM 1074 ND2 ASN B 542 26.712 20.420 17.822 1.00 0.00 N ATOM 0 H ASN B 542 23.326 18.242 18.622 1.00 0.00 H new ATOM 0 HA ASN B 542 23.338 20.754 17.500 1.00 0.00 H new ATOM 0 HB2 ASN B 542 24.747 18.127 16.894 1.00 0.00 H new ATOM 0 HB3 ASN B 542 25.152 19.593 16.024 1.00 0.00 H new ATOM 0 HD21 ASN B 542 27.352 20.709 18.561 1.00 0.00 H new ATOM 0 HD22 ASN B 542 26.856 20.746 16.866 1.00 0.00 H new ATOM 1081 N PRO B 543 22.673 20.866 15.022 1.00 0.00 N ATOM 1082 CA PRO B 543 21.893 21.080 13.795 1.00 0.00 C ATOM 1083 C PRO B 543 22.290 20.148 12.634 1.00 0.00 C ATOM 1084 O PRO B 543 23.371 19.550 12.615 1.00 0.00 O ATOM 1085 CB PRO B 543 22.092 22.546 13.440 1.00 0.00 C ATOM 1086 CG PRO B 543 23.479 22.867 14.007 1.00 0.00 C ATOM 1087 CD PRO B 543 23.508 22.029 15.290 1.00 0.00 C ATOM 0 HA PRO B 543 20.845 20.837 13.968 1.00 0.00 H new ATOM 0 HB2 PRO B 543 22.052 22.707 12.363 1.00 0.00 H new ATOM 0 HB3 PRO B 543 21.321 23.175 13.885 1.00 0.00 H new ATOM 0 HG2 PRO B 543 24.275 22.585 13.318 1.00 0.00 H new ATOM 0 HG3 PRO B 543 23.598 23.931 14.213 1.00 0.00 H new ATOM 0 HD2 PRO B 543 24.526 21.730 15.539 1.00 0.00 H new ATOM 0 HD3 PRO B 543 23.126 22.598 16.138 1.00 0.00 H new ATOM 1095 N ASP B 544 21.413 20.069 11.630 1.00 0.00 N ATOM 1096 CA ASP B 544 21.510 19.146 10.487 1.00 0.00 C ATOM 1097 C ASP B 544 21.979 19.801 9.170 1.00 0.00 C ATOM 1098 O ASP B 544 22.389 19.087 8.249 1.00 0.00 O ATOM 1099 CB ASP B 544 20.148 18.485 10.290 1.00 0.00 C ATOM 1100 CG ASP B 544 19.055 19.504 9.908 1.00 0.00 C ATOM 1101 OD1 ASP B 544 18.970 19.888 8.716 1.00 0.00 O ATOM 1102 OD2 ASP B 544 18.313 19.958 10.810 1.00 0.00 O ATOM 0 H ASP B 544 20.586 20.665 11.585 1.00 0.00 H new ATOM 0 HA ASP B 544 22.282 18.416 10.730 1.00 0.00 H new ATOM 0 HB2 ASP B 544 20.224 17.727 9.511 1.00 0.00 H new ATOM 0 HB3 ASP B 544 19.859 17.972 11.207 1.00 0.00 H new ATOM 1107 N TYR B 545 21.966 21.140 9.085 1.00 0.00 N ATOM 1108 CA TYR B 545 22.468 21.941 7.953 1.00 0.00 C ATOM 1109 C TYR B 545 21.792 21.636 6.581 1.00 0.00 C ATOM 1110 O TYR B 545 22.384 21.905 5.527 1.00 0.00 O ATOM 1111 CB TYR B 545 23.999 21.850 7.926 1.00 0.00 C ATOM 1112 CG TYR B 545 24.817 23.089 7.539 1.00 0.00 C ATOM 1113 CD1 TYR B 545 24.265 24.180 6.843 1.00 0.00 C ATOM 1114 CD2 TYR B 545 26.175 23.131 7.902 1.00 0.00 C ATOM 1115 CE1 TYR B 545 25.044 25.297 6.514 1.00 0.00 C ATOM 1116 CE2 TYR B 545 26.973 24.237 7.585 1.00 0.00 C ATOM 1117 CZ TYR B 545 26.405 25.327 6.886 1.00 0.00 C ATOM 1118 OH TYR B 545 27.169 26.415 6.565 1.00 0.00 O ATOM 0 H TYR B 545 21.590 21.721 9.834 1.00 0.00 H new ATOM 0 HA TYR B 545 22.177 22.978 8.122 1.00 0.00 H new ATOM 0 HB2 TYR B 545 24.326 21.538 8.918 1.00 0.00 H new ATOM 0 HB3 TYR B 545 24.268 21.051 7.235 1.00 0.00 H new ATOM 0 HD1 TYR B 545 23.224 24.156 6.558 1.00 0.00 H new ATOM 0 HD2 TYR B 545 26.609 22.297 8.434 1.00 0.00 H new ATOM 0 HE1 TYR B 545 24.607 26.128 5.980 1.00 0.00 H new ATOM 0 HE2 TYR B 545 28.014 24.257 7.872 1.00 0.00 H new ATOM 0 HH TYR B 545 28.083 26.281 6.892 1.00 0.00 H new ATOM 1128 N GLU B 546 20.563 21.098 6.558 1.00 0.00 N ATOM 1129 CA GLU B 546 19.811 20.764 5.335 1.00 0.00 C ATOM 1130 C GLU B 546 18.290 21.114 5.452 1.00 0.00 C ATOM 1131 O GLU B 546 17.432 20.225 5.356 1.00 0.00 O ATOM 1132 CB GLU B 546 20.096 19.309 4.949 1.00 0.00 C ATOM 1133 CG GLU B 546 19.771 18.998 3.479 1.00 0.00 C ATOM 1134 CD GLU B 546 20.278 17.596 3.083 1.00 0.00 C ATOM 1135 OE1 GLU B 546 21.466 17.387 2.903 1.00 0.00 O ATOM 1136 OE2 GLU B 546 19.399 16.666 2.919 1.00 0.00 O ATOM 0 H GLU B 546 20.050 20.877 7.411 1.00 0.00 H new ATOM 0 HA GLU B 546 20.158 21.392 4.514 1.00 0.00 H new ATOM 0 HB2 GLU B 546 21.147 19.089 5.136 1.00 0.00 H new ATOM 0 HB3 GLU B 546 19.513 18.649 5.591 1.00 0.00 H new ATOM 0 HG2 GLU B 546 18.694 19.057 3.321 1.00 0.00 H new ATOM 0 HG3 GLU B 546 20.229 19.749 2.835 1.00 0.00 H new ATOM 1143 N PRO B 547 17.928 22.396 5.701 1.00 0.00 N ATOM 1144 CA PRO B 547 16.553 22.832 5.968 1.00 0.00 C ATOM 1145 C PRO B 547 15.607 22.801 4.746 1.00 0.00 C ATOM 1146 O PRO B 547 16.017 22.565 3.605 1.00 0.00 O ATOM 1147 CB PRO B 547 16.682 24.233 6.543 1.00 0.00 C ATOM 1148 CG PRO B 547 17.944 24.785 5.852 1.00 0.00 C ATOM 1149 CD PRO B 547 18.832 23.531 5.788 1.00 0.00 C ATOM 0 HA PRO B 547 16.078 22.132 6.656 1.00 0.00 H new ATOM 0 HB2 PRO B 547 15.804 24.841 6.323 1.00 0.00 H new ATOM 0 HB3 PRO B 547 16.793 24.214 7.627 1.00 0.00 H new ATOM 0 HG2 PRO B 547 17.727 25.185 4.862 1.00 0.00 H new ATOM 0 HG3 PRO B 547 18.408 25.587 6.426 1.00 0.00 H new ATOM 0 HD2 PRO B 547 19.495 23.567 4.923 1.00 0.00 H new ATOM 0 HD3 PRO B 547 19.465 23.457 6.672 1.00 0.00 H new ATOM 1157 N ILE B 548 14.321 23.105 4.997 1.00 0.00 N ATOM 1158 CA ILE B 548 13.204 23.113 4.023 1.00 0.00 C ATOM 1159 C ILE B 548 12.451 24.474 4.064 1.00 0.00 C ATOM 1160 O ILE B 548 11.253 24.567 3.776 1.00 0.00 O ATOM 1161 CB ILE B 548 12.258 21.907 4.233 1.00 0.00 C ATOM 1162 CG1 ILE B 548 12.938 20.611 4.732 1.00 0.00 C ATOM 1163 CG2 ILE B 548 11.476 21.616 2.930 1.00 0.00 C ATOM 1164 CD1 ILE B 548 12.059 19.350 4.798 1.00 0.00 C ATOM 0 H ILE B 548 14.012 23.366 5.933 1.00 0.00 H new ATOM 0 HA ILE B 548 13.621 23.003 3.022 1.00 0.00 H new ATOM 0 HB ILE B 548 11.588 22.210 5.037 1.00 0.00 H new ATOM 0 HG12 ILE B 548 13.787 20.400 4.082 1.00 0.00 H new ATOM 0 HG13 ILE B 548 13.339 20.799 5.728 1.00 0.00 H new ATOM 0 HG21 ILE B 548 10.812 20.766 3.086 1.00 0.00 H new ATOM 0 HG22 ILE B 548 10.886 22.491 2.656 1.00 0.00 H new ATOM 0 HG23 ILE B 548 12.178 21.386 2.128 1.00 0.00 H new ATOM 0 HD11 ILE B 548 12.652 18.512 5.163 1.00 0.00 H new ATOM 0 HD12 ILE B 548 11.223 19.524 5.475 1.00 0.00 H new ATOM 0 HD13 ILE B 548 11.678 19.119 3.803 1.00 0.00 H new ATOM 1176 N ARG B 549 13.143 25.541 4.486 1.00 0.00 N ATOM 1177 CA ARG B 549 12.642 26.920 4.678 1.00 0.00 C ATOM 1178 C ARG B 549 13.713 27.948 4.281 1.00 0.00 C ATOM 1179 O ARG B 549 14.900 27.752 4.599 1.00 0.00 O ATOM 1180 CB ARG B 549 12.221 27.152 6.140 1.00 0.00 C ATOM 1181 CG ARG B 549 10.905 26.502 6.617 1.00 0.00 C ATOM 1182 CD ARG B 549 9.642 27.087 5.962 1.00 0.00 C ATOM 1183 NE ARG B 549 9.384 26.493 4.637 1.00 0.00 N ATOM 1184 CZ ARG B 549 8.361 26.714 3.839 1.00 0.00 C ATOM 1185 NH1 ARG B 549 7.402 27.547 4.141 1.00 0.00 N ATOM 1186 NH2 ARG B 549 8.288 26.081 2.706 1.00 0.00 N ATOM 0 H ARG B 549 14.133 25.465 4.719 1.00 0.00 H new ATOM 0 HA ARG B 549 11.771 27.048 4.036 1.00 0.00 H new ATOM 0 HB2 ARG B 549 13.025 26.793 6.782 1.00 0.00 H new ATOM 0 HB3 ARG B 549 12.142 28.227 6.300 1.00 0.00 H new ATOM 0 HG2 ARG B 549 10.945 25.432 6.412 1.00 0.00 H new ATOM 0 HG3 ARG B 549 10.827 26.616 7.698 1.00 0.00 H new ATOM 0 HD2 ARG B 549 8.783 26.914 6.611 1.00 0.00 H new ATOM 0 HD3 ARG B 549 9.753 28.167 5.861 1.00 0.00 H new ATOM 0 HE ARG B 549 10.082 25.831 4.298 1.00 0.00 H new ATOM 0 HH11 ARG B 549 7.428 28.056 5.025 1.00 0.00 H new ATOM 0 HH12 ARG B 549 6.627 27.689 3.493 1.00 0.00 H new ATOM 0 HH21 ARG B 549 9.019 25.420 2.443 1.00 0.00 H new ATOM 0 HH22 ARG B 549 7.499 26.245 2.080 1.00 0.00 H new TER 1200 ARG B 549