USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=15 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 Set 1.1: A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 529 TYR OH : rot 180:sc= 0 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= 0.0109 USER MOD Single : A 481 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0697) USER MOD Single : A 485 CYS SG : rot 170:sc= 0 USER MOD Single : A 486 ASN : amide:sc= -0.193 K(o=-0.19,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= 0.857 K(o=0.86,f=-0.22) 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+ -153:sc= -0.0382 (180deg=-0.914) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 511 SER OG : rot -42:sc= 0.0671 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 526 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc=-0.00391 K(o=-0.0039,f=-0.54) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD Single : B 542 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 545 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 474 8.007 -4.006 4.845 1.00 0.00 N ATOM 2 CA GLY A 474 9.183 -3.470 4.123 1.00 0.00 C ATOM 3 C GLY A 474 9.040 -3.676 2.626 1.00 0.00 C ATOM 4 O GLY A 474 9.003 -4.819 2.167 1.00 0.00 O ATOM 0 HA2 GLY A 474 9.294 -2.407 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 474 10.088 -3.963 4.477 1.00 0.00 H new ATOM 8 N SER A 475 8.958 -2.589 1.851 1.00 0.00 N ATOM 9 CA SER A 475 8.841 -2.630 0.381 1.00 0.00 C ATOM 10 C SER A 475 9.530 -1.423 -0.271 1.00 0.00 C ATOM 11 O SER A 475 9.365 -0.286 0.182 1.00 0.00 O ATOM 12 CB SER A 475 7.355 -2.676 -0.005 1.00 0.00 C ATOM 13 OG SER A 475 7.201 -2.930 -1.390 1.00 0.00 O ATOM 0 H SER A 475 8.971 -1.641 2.228 1.00 0.00 H new ATOM 0 HA SER A 475 9.343 -3.526 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 475 6.850 -3.452 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 475 6.879 -1.729 0.250 1.00 0.00 H new ATOM 0 HG SER A 475 6.247 -2.957 -1.614 1.00 0.00 H new ATOM 19 N MET A 476 10.302 -1.675 -1.337 1.00 0.00 N ATOM 20 CA MET A 476 11.060 -0.681 -2.127 1.00 0.00 C ATOM 21 C MET A 476 11.964 0.258 -1.285 1.00 0.00 C ATOM 22 O MET A 476 12.106 1.444 -1.598 1.00 0.00 O ATOM 23 CB MET A 476 10.113 0.094 -3.070 1.00 0.00 C ATOM 24 CG MET A 476 9.102 -0.786 -3.820 1.00 0.00 C ATOM 25 SD MET A 476 8.124 0.115 -5.056 1.00 0.00 S ATOM 26 CE MET A 476 6.559 -0.796 -4.935 1.00 0.00 C ATOM 0 H MET A 476 10.424 -2.623 -1.694 1.00 0.00 H new ATOM 0 HA MET A 476 11.767 -1.247 -2.734 1.00 0.00 H new ATOM 0 HB2 MET A 476 9.568 0.836 -2.487 1.00 0.00 H new ATOM 0 HB3 MET A 476 10.713 0.639 -3.799 1.00 0.00 H new ATOM 0 HG2 MET A 476 9.636 -1.597 -4.314 1.00 0.00 H new ATOM 0 HG3 MET A 476 8.426 -1.243 -3.098 1.00 0.00 H new ATOM 0 HE1 MET A 476 5.836 -0.372 -5.632 1.00 0.00 H new ATOM 0 HE2 MET A 476 6.728 -1.844 -5.180 1.00 0.00 H new ATOM 0 HE3 MET A 476 6.171 -0.719 -3.919 1.00 0.00 H new ATOM 36 N GLY A 477 12.555 -0.256 -0.196 1.00 0.00 N ATOM 37 CA GLY A 477 13.169 0.536 0.886 1.00 0.00 C ATOM 38 C GLY A 477 14.571 0.071 1.299 1.00 0.00 C ATOM 39 O GLY A 477 14.783 -0.337 2.443 1.00 0.00 O ATOM 0 H GLY A 477 12.622 -1.261 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 477 13.224 1.578 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 477 12.517 0.502 1.759 1.00 0.00 H new ATOM 43 N THR A 478 15.532 0.112 0.370 1.00 0.00 N ATOM 44 CA THR A 478 16.946 -0.285 0.583 1.00 0.00 C ATOM 45 C THR A 478 17.748 0.605 1.548 1.00 0.00 C ATOM 46 O THR A 478 18.792 0.172 2.043 1.00 0.00 O ATOM 47 CB THR A 478 17.708 -0.338 -0.757 1.00 0.00 C ATOM 48 OG1 THR A 478 17.431 0.793 -1.566 1.00 0.00 O ATOM 49 CG2 THR A 478 17.325 -1.576 -1.566 1.00 0.00 C ATOM 0 H THR A 478 15.352 0.430 -0.582 1.00 0.00 H new ATOM 0 HA THR A 478 16.870 -1.267 1.049 1.00 0.00 H new ATOM 0 HB THR A 478 18.766 -0.362 -0.497 1.00 0.00 H new ATOM 0 HG1 THR A 478 17.932 0.725 -2.405 1.00 0.00 H new ATOM 0 HG21 THR A 478 17.879 -1.583 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 478 17.566 -2.473 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 478 16.256 -1.557 -1.777 1.00 0.00 H new ATOM 57 N ALA A 479 17.288 1.830 1.825 1.00 0.00 N ATOM 58 CA ALA A 479 18.002 2.845 2.613 1.00 0.00 C ATOM 59 C ALA A 479 17.082 3.509 3.663 1.00 0.00 C ATOM 60 O ALA A 479 16.989 4.736 3.768 1.00 0.00 O ATOM 61 CB ALA A 479 18.676 3.834 1.650 1.00 0.00 C ATOM 0 H ALA A 479 16.378 2.155 1.497 1.00 0.00 H new ATOM 0 HA ALA A 479 18.788 2.376 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 479 19.210 4.593 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 479 19.380 3.299 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 479 17.918 4.313 1.031 1.00 0.00 H new ATOM 67 N GLY A 480 16.371 2.677 4.428 1.00 0.00 N ATOM 68 CA GLY A 480 15.480 3.081 5.519 1.00 0.00 C ATOM 69 C GLY A 480 15.112 1.918 6.448 1.00 0.00 C ATOM 70 O GLY A 480 15.387 0.751 6.146 1.00 0.00 O ATOM 0 H GLY A 480 16.401 1.666 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 480 15.960 3.867 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 480 14.569 3.507 5.099 1.00 0.00 H new ATOM 74 N LYS A 481 14.502 2.244 7.593 1.00 0.00 N ATOM 75 CA LYS A 481 14.079 1.306 8.651 1.00 0.00 C ATOM 76 C LYS A 481 13.045 1.955 9.573 1.00 0.00 C ATOM 77 O LYS A 481 12.796 3.164 9.508 1.00 0.00 O ATOM 78 CB LYS A 481 15.307 0.843 9.480 1.00 0.00 C ATOM 79 CG LYS A 481 15.350 -0.674 9.755 1.00 0.00 C ATOM 80 CD LYS A 481 15.843 -1.469 8.531 1.00 0.00 C ATOM 81 CE LYS A 481 16.197 -2.932 8.838 1.00 0.00 C ATOM 82 NZ LYS A 481 17.381 -3.056 9.733 1.00 0.00 N ATOM 0 H LYS A 481 14.277 3.212 7.822 1.00 0.00 H new ATOM 0 HA LYS A 481 13.622 0.439 8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.216 1.131 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.309 1.373 10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 481 16.006 -0.870 10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.355 -1.020 10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.072 -1.446 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 481 16.721 -0.972 8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 481 15.341 -3.420 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 481 16.395 -3.458 7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 17.672 -4.053 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 18.164 -2.487 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 17.135 -2.715 10.684 1.00 0.00 H new ATOM 96 N TRP A 482 12.474 1.138 10.450 1.00 0.00 N ATOM 97 CA TRP A 482 11.549 1.565 11.495 1.00 0.00 C ATOM 98 C TRP A 482 12.314 1.989 12.751 1.00 0.00 C ATOM 99 O TRP A 482 13.302 1.358 13.142 1.00 0.00 O ATOM 100 CB TRP A 482 10.574 0.426 11.828 1.00 0.00 C ATOM 101 CG TRP A 482 10.256 -0.497 10.695 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.448 -1.834 10.698 1.00 0.00 C ATOM 103 CD2 TRP A 482 9.817 -0.153 9.346 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.187 -2.340 9.439 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.814 -1.343 8.562 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.481 1.053 8.691 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.507 -1.338 7.195 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.173 1.066 7.319 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.183 -0.123 6.568 1.00 0.00 C ATOM 0 H TRP A 482 12.646 0.133 10.455 1.00 0.00 H new ATOM 0 HA TRP A 482 10.984 2.423 11.131 1.00 0.00 H new ATOM 0 HB2 TRP A 482 10.993 -0.161 12.646 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.643 0.862 12.192 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.758 -2.417 11.552 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.261 -3.326 9.190 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.460 1.976 9.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.519 -2.258 6.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 8.926 2.000 6.836 1.00 0.00 H new ATOM 0 HH2 TRP A 482 8.943 -0.102 5.515 1.00 0.00 H new ATOM 120 N VAL A 483 11.809 3.023 13.419 1.00 0.00 N ATOM 121 CA VAL A 483 12.308 3.498 14.716 1.00 0.00 C ATOM 122 C VAL A 483 11.134 3.854 15.622 1.00 0.00 C ATOM 123 O VAL A 483 10.149 4.448 15.179 1.00 0.00 O ATOM 124 CB VAL A 483 13.265 4.701 14.574 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.592 4.299 13.924 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.667 5.857 13.767 1.00 0.00 C ATOM 0 H VAL A 483 11.022 3.570 13.069 1.00 0.00 H new ATOM 0 HA VAL A 483 12.884 2.688 15.164 1.00 0.00 H new ATOM 0 HB VAL A 483 13.436 5.042 15.595 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.237 5.174 13.842 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.083 3.542 14.536 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.402 3.894 12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.390 6.670 13.705 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.423 5.511 12.763 1.00 0.00 H new ATOM 0 HG23 VAL A 483 11.762 6.214 14.258 1.00 0.00 H new ATOM 136 N LEU A 484 11.240 3.470 16.893 1.00 0.00 N ATOM 137 CA LEU A 484 10.310 3.879 17.951 1.00 0.00 C ATOM 138 C LEU A 484 10.718 5.258 18.496 1.00 0.00 C ATOM 139 O LEU A 484 11.909 5.554 18.636 1.00 0.00 O ATOM 140 CB LEU A 484 10.320 2.787 19.039 1.00 0.00 C ATOM 141 CG LEU A 484 9.435 3.037 20.272 1.00 0.00 C ATOM 142 CD1 LEU A 484 7.961 3.162 19.896 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.591 1.887 21.265 1.00 0.00 C ATOM 0 H LEU A 484 11.985 2.857 17.224 1.00 0.00 H new ATOM 0 HA LEU A 484 9.294 3.981 17.571 1.00 0.00 H new ATOM 0 HB2 LEU A 484 10.010 1.847 18.582 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.347 2.653 19.378 1.00 0.00 H new ATOM 0 HG LEU A 484 9.760 3.976 20.720 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.370 3.338 20.795 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.831 3.996 19.207 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.628 2.241 19.417 1.00 0.00 H new ATOM 0 HD21 LEU A 484 8.962 2.070 22.136 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.290 0.953 20.790 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.632 1.816 21.579 1.00 0.00 H new ATOM 155 N CYS A 485 9.734 6.087 18.841 1.00 0.00 N ATOM 156 CA CYS A 485 9.945 7.340 19.558 1.00 0.00 C ATOM 157 C CYS A 485 10.074 7.089 21.074 1.00 0.00 C ATOM 158 O CYS A 485 9.103 6.713 21.733 1.00 0.00 O ATOM 159 CB CYS A 485 8.802 8.311 19.215 1.00 0.00 C ATOM 160 SG CYS A 485 9.287 9.334 17.794 1.00 0.00 S ATOM 0 H CYS A 485 8.754 5.903 18.626 1.00 0.00 H new ATOM 0 HA CYS A 485 10.884 7.796 19.244 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.894 7.754 18.984 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.578 8.944 20.073 1.00 0.00 H new ATOM 0 HG CYS A 485 8.256 10.001 17.367 1.00 0.00 H new ATOM 166 N ASN A 486 11.267 7.316 21.636 1.00 0.00 N ATOM 167 CA ASN A 486 11.538 7.298 23.079 1.00 0.00 C ATOM 168 C ASN A 486 10.815 8.424 23.851 1.00 0.00 C ATOM 169 O ASN A 486 10.427 8.234 25.005 1.00 0.00 O ATOM 170 CB ASN A 486 13.053 7.466 23.301 1.00 0.00 C ATOM 171 CG ASN A 486 13.896 6.342 22.741 1.00 0.00 C ATOM 172 OD1 ASN A 486 14.693 6.527 21.835 1.00 0.00 O ATOM 173 ND2 ASN A 486 13.759 5.151 23.275 1.00 0.00 N ATOM 0 H ASN A 486 12.097 7.524 21.081 1.00 0.00 H new ATOM 0 HA ASN A 486 11.167 6.346 23.459 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.372 8.404 22.847 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.244 7.548 24.371 1.00 0.00 H new ATOM 0 HD21 ASN A 486 14.321 4.371 22.933 1.00 0.00 H new ATOM 0 HD22 ASN A 486 13.091 5.005 24.032 1.00 0.00 H new ATOM 180 N TYR A 487 10.647 9.588 23.210 1.00 0.00 N ATOM 181 CA TYR A 487 10.114 10.831 23.789 1.00 0.00 C ATOM 182 C TYR A 487 9.195 11.547 22.783 1.00 0.00 C ATOM 183 O TYR A 487 9.215 11.245 21.586 1.00 0.00 O ATOM 184 CB TYR A 487 11.267 11.761 24.208 1.00 0.00 C ATOM 185 CG TYR A 487 12.312 11.131 25.115 1.00 0.00 C ATOM 186 CD1 TYR A 487 12.071 10.997 26.496 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.523 10.665 24.568 1.00 0.00 C ATOM 188 CE1 TYR A 487 13.033 10.385 27.325 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.485 10.048 25.387 1.00 0.00 C ATOM 190 CZ TYR A 487 14.241 9.905 26.771 1.00 0.00 C ATOM 191 OH TYR A 487 15.168 9.301 27.562 1.00 0.00 O ATOM 0 H TYR A 487 10.891 9.695 22.225 1.00 0.00 H new ATOM 0 HA TYR A 487 9.528 10.575 24.672 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.763 12.126 23.309 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.846 12.629 24.715 1.00 0.00 H new ATOM 0 HD1 TYR A 487 11.148 11.364 26.920 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.714 10.782 23.512 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.847 10.283 28.384 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.408 9.685 24.959 1.00 0.00 H new ATOM 0 HH TYR A 487 15.937 9.031 27.017 1.00 0.00 H new ATOM 201 N ASP A 488 8.385 12.495 23.260 1.00 0.00 N ATOM 202 CA ASP A 488 7.578 13.370 22.396 1.00 0.00 C ATOM 203 C ASP A 488 8.362 14.594 21.870 1.00 0.00 C ATOM 204 O ASP A 488 9.414 14.967 22.402 1.00 0.00 O ATOM 205 CB ASP A 488 6.277 13.780 23.103 1.00 0.00 C ATOM 206 CG ASP A 488 6.494 14.595 24.390 1.00 0.00 C ATOM 207 OD1 ASP A 488 6.856 15.791 24.312 1.00 0.00 O ATOM 208 OD2 ASP A 488 6.257 14.050 25.495 1.00 0.00 O ATOM 0 H ASP A 488 8.268 12.680 24.256 1.00 0.00 H new ATOM 0 HA ASP A 488 7.316 12.790 21.511 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.669 14.365 22.413 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.709 12.882 23.345 1.00 0.00 H new ATOM 213 N PHE A 489 7.839 15.212 20.805 1.00 0.00 N ATOM 214 CA PHE A 489 8.400 16.387 20.132 1.00 0.00 C ATOM 215 C PHE A 489 7.323 17.159 19.335 1.00 0.00 C ATOM 216 O PHE A 489 6.298 16.595 18.956 1.00 0.00 O ATOM 217 CB PHE A 489 9.528 15.917 19.199 1.00 0.00 C ATOM 218 CG PHE A 489 10.262 17.049 18.513 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.914 18.028 19.287 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.210 17.177 17.112 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.470 19.158 18.664 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.793 18.293 16.488 1.00 0.00 C ATOM 223 CZ PHE A 489 11.409 19.286 17.268 1.00 0.00 C ATOM 0 H PHE A 489 6.974 14.891 20.370 1.00 0.00 H new ATOM 0 HA PHE A 489 8.791 17.075 20.882 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.242 15.329 19.775 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.109 15.256 18.441 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.987 17.910 20.358 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.723 16.418 16.518 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.943 19.926 19.258 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.768 18.387 15.412 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.839 20.154 16.790 1.00 0.00 H new ATOM 233 N GLN A 490 7.556 18.442 19.041 1.00 0.00 N ATOM 234 CA GLN A 490 6.594 19.330 18.373 1.00 0.00 C ATOM 235 C GLN A 490 7.262 20.140 17.249 1.00 0.00 C ATOM 236 O GLN A 490 8.380 20.631 17.408 1.00 0.00 O ATOM 237 CB GLN A 490 5.935 20.216 19.446 1.00 0.00 C ATOM 238 CG GLN A 490 6.854 21.319 19.998 1.00 0.00 C ATOM 239 CD GLN A 490 6.393 21.838 21.358 1.00 0.00 C ATOM 240 OE1 GLN A 490 6.721 21.290 22.406 1.00 0.00 O ATOM 241 NE2 GLN A 490 5.625 22.907 21.411 1.00 0.00 N ATOM 0 H GLN A 490 8.437 18.904 19.265 1.00 0.00 H new ATOM 0 HA GLN A 490 5.818 18.745 17.879 1.00 0.00 H new ATOM 0 HB2 GLN A 490 5.043 20.678 19.023 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.606 19.585 20.271 1.00 0.00 H new ATOM 0 HG2 GLN A 490 7.869 20.932 20.086 1.00 0.00 H new ATOM 0 HG3 GLN A 490 6.889 22.147 19.290 1.00 0.00 H new ATOM 0 HE21 GLN A 490 5.343 23.375 20.550 1.00 0.00 H new ATOM 0 HE22 GLN A 490 5.313 23.266 22.313 1.00 0.00 H new ATOM 250 N ALA A 491 6.578 20.293 16.109 1.00 0.00 N ATOM 251 CA ALA A 491 7.152 20.941 14.929 1.00 0.00 C ATOM 252 C ALA A 491 7.233 22.463 15.118 1.00 0.00 C ATOM 253 O ALA A 491 6.217 23.166 15.068 1.00 0.00 O ATOM 254 CB ALA A 491 6.349 20.582 13.674 1.00 0.00 C ATOM 0 H ALA A 491 5.618 19.973 15.981 1.00 0.00 H new ATOM 0 HA ALA A 491 8.169 20.571 14.799 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.791 21.073 12.807 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.366 19.502 13.528 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.318 20.915 13.794 1.00 0.00 H new ATOM 260 N ARG A 492 8.444 22.983 15.329 1.00 0.00 N ATOM 261 CA ARG A 492 8.702 24.426 15.442 1.00 0.00 C ATOM 262 C ARG A 492 8.690 25.135 14.074 1.00 0.00 C ATOM 263 O ARG A 492 8.561 26.360 14.031 1.00 0.00 O ATOM 264 CB ARG A 492 10.031 24.669 16.192 1.00 0.00 C ATOM 265 CG ARG A 492 10.270 23.815 17.458 1.00 0.00 C ATOM 266 CD ARG A 492 9.159 23.877 18.513 1.00 0.00 C ATOM 267 NE ARG A 492 9.051 25.207 19.143 1.00 0.00 N ATOM 268 CZ ARG A 492 9.801 25.687 20.123 1.00 0.00 C ATOM 269 NH1 ARG A 492 10.763 24.998 20.673 1.00 0.00 N ATOM 270 NH2 ARG A 492 9.597 26.891 20.576 1.00 0.00 N ATOM 0 H ARG A 492 9.283 22.412 15.428 1.00 0.00 H new ATOM 0 HA ARG A 492 7.888 24.864 16.019 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.853 24.490 15.499 1.00 0.00 H new ATOM 0 HB3 ARG A 492 10.076 25.721 16.475 1.00 0.00 H new ATOM 0 HG2 ARG A 492 10.403 22.776 17.155 1.00 0.00 H new ATOM 0 HG3 ARG A 492 11.204 24.134 17.920 1.00 0.00 H new ATOM 0 HD2 ARG A 492 8.207 23.620 18.049 1.00 0.00 H new ATOM 0 HD3 ARG A 492 9.351 23.129 19.282 1.00 0.00 H new ATOM 0 HE ARG A 492 8.320 25.822 18.785 1.00 0.00 H new ATOM 0 HH11 ARG A 492 10.961 24.051 20.350 1.00 0.00 H new ATOM 0 HH12 ARG A 492 11.317 25.406 21.426 1.00 0.00 H new ATOM 0 HH21 ARG A 492 8.857 27.468 20.176 1.00 0.00 H new ATOM 0 HH22 ARG A 492 10.177 27.257 21.331 1.00 0.00 H new ATOM 284 N ASN A 493 8.802 24.382 12.968 1.00 0.00 N ATOM 285 CA ASN A 493 8.898 24.877 11.579 1.00 0.00 C ATOM 286 C ASN A 493 8.327 23.853 10.561 1.00 0.00 C ATOM 287 O ASN A 493 8.080 22.699 10.913 1.00 0.00 O ATOM 288 CB ASN A 493 10.384 25.155 11.243 1.00 0.00 C ATOM 289 CG ASN A 493 11.064 26.167 12.151 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.921 27.373 11.995 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.842 25.713 13.109 1.00 0.00 N ATOM 0 H ASN A 493 8.830 23.364 13.017 1.00 0.00 H new ATOM 0 HA ASN A 493 8.308 25.790 11.503 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.935 24.216 11.292 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.449 25.509 10.214 1.00 0.00 H new ATOM 0 HD21 ASN A 493 12.328 26.366 13.724 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.960 24.708 13.237 1.00 0.00 H new ATOM 298 N SER A 494 8.185 24.231 9.281 1.00 0.00 N ATOM 299 CA SER A 494 7.791 23.304 8.189 1.00 0.00 C ATOM 300 C SER A 494 8.848 22.247 7.842 1.00 0.00 C ATOM 301 O SER A 494 8.515 21.198 7.287 1.00 0.00 O ATOM 302 CB SER A 494 7.493 24.053 6.884 1.00 0.00 C ATOM 303 OG SER A 494 6.569 25.107 7.099 1.00 0.00 O ATOM 0 H SER A 494 8.339 25.189 8.965 1.00 0.00 H new ATOM 0 HA SER A 494 6.905 22.810 8.588 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.419 24.455 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.092 23.358 6.146 1.00 0.00 H new ATOM 0 HG SER A 494 6.397 25.569 6.252 1.00 0.00 H new ATOM 309 N SER A 495 10.124 22.510 8.151 1.00 0.00 N ATOM 310 CA SER A 495 11.232 21.557 7.974 1.00 0.00 C ATOM 311 C SER A 495 11.143 20.335 8.894 1.00 0.00 C ATOM 312 O SER A 495 11.802 19.330 8.654 1.00 0.00 O ATOM 313 CB SER A 495 12.575 22.266 8.198 1.00 0.00 C ATOM 314 OG SER A 495 12.577 22.968 9.432 1.00 0.00 O ATOM 0 H SER A 495 10.423 23.405 8.538 1.00 0.00 H new ATOM 0 HA SER A 495 11.156 21.189 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.383 21.534 8.190 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.765 22.960 7.380 1.00 0.00 H new ATOM 0 HG SER A 495 13.443 23.411 9.555 1.00 0.00 H new ATOM 320 N GLU A 496 10.317 20.399 9.933 1.00 0.00 N ATOM 321 CA GLU A 496 10.208 19.427 11.020 1.00 0.00 C ATOM 322 C GLU A 496 8.758 18.957 11.217 1.00 0.00 C ATOM 323 O GLU A 496 7.840 19.382 10.508 1.00 0.00 O ATOM 324 CB GLU A 496 10.838 19.998 12.303 1.00 0.00 C ATOM 325 CG GLU A 496 10.358 21.408 12.646 1.00 0.00 C ATOM 326 CD GLU A 496 11.189 22.015 13.780 1.00 0.00 C ATOM 327 OE1 GLU A 496 10.946 21.638 14.944 1.00 0.00 O ATOM 328 OE2 GLU A 496 12.037 22.904 13.510 1.00 0.00 O ATOM 0 H GLU A 496 9.666 21.176 10.047 1.00 0.00 H new ATOM 0 HA GLU A 496 10.771 18.533 10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.611 19.333 13.136 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.922 20.010 12.191 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.425 22.043 11.762 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.308 21.377 12.937 1.00 0.00 H new ATOM 335 N LEU A 497 8.558 18.035 12.160 1.00 0.00 N ATOM 336 CA LEU A 497 7.285 17.349 12.401 1.00 0.00 C ATOM 337 C LEU A 497 7.015 17.127 13.895 1.00 0.00 C ATOM 338 O LEU A 497 7.928 17.097 14.721 1.00 0.00 O ATOM 339 CB LEU A 497 7.277 15.990 11.669 1.00 0.00 C ATOM 340 CG LEU A 497 7.177 16.055 10.136 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.363 14.642 9.589 1.00 0.00 C ATOM 342 CD2 LEU A 497 5.829 16.584 9.638 1.00 0.00 C ATOM 0 H LEU A 497 9.297 17.736 12.796 1.00 0.00 H new ATOM 0 HA LEU A 497 6.493 17.991 12.015 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.188 15.452 11.932 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.439 15.402 12.044 1.00 0.00 H new ATOM 0 HG LEU A 497 7.946 16.745 9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.296 14.661 8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.341 14.263 9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 497 6.585 13.992 9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 497 5.826 16.604 8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.030 15.933 9.991 1.00 0.00 H new ATOM 0 HD23 LEU A 497 5.670 17.593 10.020 1.00 0.00 H new ATOM 354 N SER A 498 5.733 16.961 14.225 1.00 0.00 N ATOM 355 CA SER A 498 5.240 16.707 15.579 1.00 0.00 C ATOM 356 C SER A 498 5.009 15.205 15.759 1.00 0.00 C ATOM 357 O SER A 498 4.284 14.586 14.971 1.00 0.00 O ATOM 358 CB SER A 498 3.933 17.482 15.788 1.00 0.00 C ATOM 359 OG SER A 498 3.528 17.427 17.143 1.00 0.00 O ATOM 0 H SER A 498 4.984 17.001 13.533 1.00 0.00 H new ATOM 0 HA SER A 498 5.971 17.039 16.316 1.00 0.00 H new ATOM 0 HB2 SER A 498 4.068 18.521 15.486 1.00 0.00 H new ATOM 0 HB3 SER A 498 3.152 17.065 15.153 1.00 0.00 H new ATOM 0 HG SER A 498 2.694 17.929 17.256 1.00 0.00 H new ATOM 365 N VAL A 499 5.637 14.611 16.775 1.00 0.00 N ATOM 366 CA VAL A 499 5.580 13.169 17.069 1.00 0.00 C ATOM 367 C VAL A 499 5.483 12.944 18.578 1.00 0.00 C ATOM 368 O VAL A 499 5.781 13.829 19.380 1.00 0.00 O ATOM 369 CB VAL A 499 6.781 12.394 16.472 1.00 0.00 C ATOM 370 CG1 VAL A 499 6.860 12.552 14.948 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.139 12.797 17.061 1.00 0.00 C ATOM 0 H VAL A 499 6.216 15.129 17.436 1.00 0.00 H new ATOM 0 HA VAL A 499 4.685 12.773 16.589 1.00 0.00 H new ATOM 0 HB VAL A 499 6.587 11.355 16.741 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.716 11.994 14.568 1.00 0.00 H new ATOM 0 HG12 VAL A 499 5.946 12.168 14.495 1.00 0.00 H new ATOM 0 HG13 VAL A 499 6.975 13.606 14.697 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.928 12.210 16.591 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.316 13.856 16.876 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.139 12.612 18.135 1.00 0.00 H new ATOM 381 N LYS A 500 5.088 11.744 18.992 1.00 0.00 N ATOM 382 CA LYS A 500 4.890 11.397 20.405 1.00 0.00 C ATOM 383 C LYS A 500 5.581 10.080 20.737 1.00 0.00 C ATOM 384 O LYS A 500 5.767 9.231 19.867 1.00 0.00 O ATOM 385 CB LYS A 500 3.393 11.438 20.755 1.00 0.00 C ATOM 386 CG LYS A 500 2.513 10.556 19.856 1.00 0.00 C ATOM 387 CD LYS A 500 1.012 10.685 20.154 1.00 0.00 C ATOM 388 CE LYS A 500 0.308 11.881 19.486 1.00 0.00 C ATOM 389 NZ LYS A 500 0.527 13.176 20.189 1.00 0.00 N ATOM 0 H LYS A 500 4.893 10.973 18.353 1.00 0.00 H new ATOM 0 HA LYS A 500 5.366 12.141 21.044 1.00 0.00 H new ATOM 0 HB2 LYS A 500 3.265 11.124 21.791 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.044 12.468 20.688 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.693 10.820 18.814 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.812 9.515 19.977 1.00 0.00 H new ATOM 0 HD2 LYS A 500 0.515 9.768 19.836 1.00 0.00 H new ATOM 0 HD3 LYS A 500 0.878 10.762 21.233 1.00 0.00 H new ATOM 0 HE2 LYS A 500 0.661 11.971 18.459 1.00 0.00 H new ATOM 0 HE3 LYS A 500 -0.762 11.680 19.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -0.276 13.811 20.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 0.608 13.006 21.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 1.402 13.617 19.841 1.00 0.00 H new ATOM 403 N GLN A 501 5.991 9.926 21.994 1.00 0.00 N ATOM 404 CA GLN A 501 6.562 8.669 22.476 1.00 0.00 C ATOM 405 C GLN A 501 5.613 7.486 22.236 1.00 0.00 C ATOM 406 O GLN A 501 4.389 7.653 22.216 1.00 0.00 O ATOM 407 CB GLN A 501 6.988 8.768 23.948 1.00 0.00 C ATOM 408 CG GLN A 501 5.923 9.359 24.888 1.00 0.00 C ATOM 409 CD GLN A 501 6.212 9.026 26.351 1.00 0.00 C ATOM 410 OE1 GLN A 501 5.604 8.142 26.945 1.00 0.00 O ATOM 411 NE2 GLN A 501 7.151 9.693 26.991 1.00 0.00 N ATOM 0 H GLN A 501 5.938 10.660 22.701 1.00 0.00 H new ATOM 0 HA GLN A 501 7.463 8.480 21.893 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.254 7.772 24.303 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.888 9.379 24.011 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.886 10.441 24.762 1.00 0.00 H new ATOM 0 HG3 GLN A 501 4.941 8.973 24.614 1.00 0.00 H new ATOM 0 HE21 GLN A 501 7.667 10.432 26.513 1.00 0.00 H new ATOM 0 HE22 GLN A 501 7.361 9.471 27.964 1.00 0.00 H new ATOM 420 N ARG A 502 6.200 6.292 22.086 1.00 0.00 N ATOM 421 CA ARG A 502 5.505 5.012 21.842 1.00 0.00 C ATOM 422 C ARG A 502 4.919 4.876 20.419 1.00 0.00 C ATOM 423 O ARG A 502 4.106 3.982 20.174 1.00 0.00 O ATOM 424 CB ARG A 502 4.454 4.711 22.939 1.00 0.00 C ATOM 425 CG ARG A 502 4.893 4.966 24.395 1.00 0.00 C ATOM 426 CD ARG A 502 6.110 4.145 24.837 1.00 0.00 C ATOM 427 NE ARG A 502 5.834 2.695 24.777 1.00 0.00 N ATOM 428 CZ ARG A 502 6.717 1.714 24.831 1.00 0.00 C ATOM 429 NH1 ARG A 502 7.990 1.933 25.005 1.00 0.00 N ATOM 430 NH2 ARG A 502 6.326 0.479 24.709 1.00 0.00 N ATOM 0 H ARG A 502 7.213 6.182 22.132 1.00 0.00 H new ATOM 0 HA ARG A 502 6.276 4.244 21.904 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.568 5.314 22.738 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.156 3.666 22.850 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.121 6.025 24.514 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.058 4.743 25.059 1.00 0.00 H new ATOM 0 HD2 ARG A 502 6.961 4.381 24.199 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.388 4.422 25.854 1.00 0.00 H new ATOM 0 HE ARG A 502 4.856 2.422 24.684 1.00 0.00 H new ATOM 0 HH11 ARG A 502 8.334 2.888 25.105 1.00 0.00 H new ATOM 0 HH12 ARG A 502 8.642 1.149 25.041 1.00 0.00 H new ATOM 0 HH21 ARG A 502 5.338 0.268 24.572 1.00 0.00 H new ATOM 0 HH22 ARG A 502 7.008 -0.278 24.751 1.00 0.00 H new ATOM 444 N ASP A 503 5.355 5.719 19.477 1.00 0.00 N ATOM 445 CA ASP A 503 4.964 5.672 18.055 1.00 0.00 C ATOM 446 C ASP A 503 6.120 5.170 17.176 1.00 0.00 C ATOM 447 O ASP A 503 7.291 5.367 17.506 1.00 0.00 O ATOM 448 CB ASP A 503 4.531 7.064 17.550 1.00 0.00 C ATOM 449 CG ASP A 503 3.084 7.459 17.906 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.448 6.844 18.796 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.549 8.380 17.240 1.00 0.00 O ATOM 0 H ASP A 503 6.008 6.475 19.683 1.00 0.00 H new ATOM 0 HA ASP A 503 4.125 4.980 17.982 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.209 7.812 17.962 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.645 7.094 16.466 1.00 0.00 H new ATOM 456 N VAL A 504 5.787 4.575 16.027 1.00 0.00 N ATOM 457 CA VAL A 504 6.748 4.041 15.045 1.00 0.00 C ATOM 458 C VAL A 504 6.712 4.864 13.752 1.00 0.00 C ATOM 459 O VAL A 504 5.634 5.191 13.248 1.00 0.00 O ATOM 460 CB VAL A 504 6.504 2.535 14.807 1.00 0.00 C ATOM 461 CG1 VAL A 504 5.126 2.201 14.219 1.00 0.00 C ATOM 462 CG2 VAL A 504 7.583 1.921 13.909 1.00 0.00 C ATOM 0 H VAL A 504 4.816 4.446 15.742 1.00 0.00 H new ATOM 0 HA VAL A 504 7.757 4.133 15.446 1.00 0.00 H new ATOM 0 HB VAL A 504 6.547 2.098 15.805 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.040 1.123 14.084 1.00 0.00 H new ATOM 0 HG12 VAL A 504 4.347 2.545 14.899 1.00 0.00 H new ATOM 0 HG13 VAL A 504 5.012 2.697 13.255 1.00 0.00 H new ATOM 0 HG21 VAL A 504 7.376 0.860 13.765 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.582 2.425 12.943 1.00 0.00 H new ATOM 0 HG23 VAL A 504 8.559 2.040 14.380 1.00 0.00 H new ATOM 472 N LEU A 505 7.891 5.203 13.216 1.00 0.00 N ATOM 473 CA LEU A 505 8.062 6.071 12.040 1.00 0.00 C ATOM 474 C LEU A 505 9.029 5.434 11.028 1.00 0.00 C ATOM 475 O LEU A 505 9.978 4.740 11.404 1.00 0.00 O ATOM 476 CB LEU A 505 8.562 7.473 12.458 1.00 0.00 C ATOM 477 CG LEU A 505 7.788 8.143 13.617 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.522 9.395 14.077 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.374 8.582 13.227 1.00 0.00 C ATOM 0 H LEU A 505 8.778 4.873 13.597 1.00 0.00 H new ATOM 0 HA LEU A 505 7.089 6.184 11.561 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.611 7.394 12.744 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.517 8.129 11.588 1.00 0.00 H new ATOM 0 HG LEU A 505 7.722 7.388 14.401 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.970 9.861 14.893 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.521 9.126 14.421 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.601 10.096 13.246 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.887 9.044 14.086 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.429 9.302 12.410 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.798 7.713 12.907 1.00 0.00 H new ATOM 491 N GLU A 506 8.796 5.688 9.740 1.00 0.00 N ATOM 492 CA GLU A 506 9.670 5.265 8.640 1.00 0.00 C ATOM 493 C GLU A 506 10.742 6.333 8.375 1.00 0.00 C ATOM 494 O GLU A 506 10.414 7.445 7.955 1.00 0.00 O ATOM 495 CB GLU A 506 8.819 5.015 7.382 1.00 0.00 C ATOM 496 CG GLU A 506 9.678 4.669 6.153 1.00 0.00 C ATOM 497 CD GLU A 506 8.849 4.172 4.949 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.675 4.581 4.776 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.382 3.366 4.147 1.00 0.00 O ATOM 0 H GLU A 506 7.976 6.205 9.423 1.00 0.00 H new ATOM 0 HA GLU A 506 10.178 4.339 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.121 4.201 7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.223 5.902 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.246 5.551 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.402 3.902 6.428 1.00 0.00 H new ATOM 506 N VAL A 507 12.014 6.002 8.609 1.00 0.00 N ATOM 507 CA VAL A 507 13.162 6.863 8.266 1.00 0.00 C ATOM 508 C VAL A 507 13.524 6.689 6.783 1.00 0.00 C ATOM 509 O VAL A 507 13.433 5.594 6.221 1.00 0.00 O ATOM 510 CB VAL A 507 14.394 6.527 9.141 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.590 7.429 8.832 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.114 6.576 10.647 1.00 0.00 C ATOM 0 H VAL A 507 12.285 5.121 9.046 1.00 0.00 H new ATOM 0 HA VAL A 507 12.875 7.897 8.456 1.00 0.00 H new ATOM 0 HB VAL A 507 14.635 5.497 8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.428 7.153 9.472 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.876 7.309 7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.319 8.469 9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.024 6.329 11.194 1.00 0.00 H new ATOM 0 HG22 VAL A 507 13.784 7.578 10.923 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.334 5.856 10.896 1.00 0.00 H new ATOM 522 N LEU A 508 13.986 7.781 6.177 1.00 0.00 N ATOM 523 CA LEU A 508 14.340 7.962 4.771 1.00 0.00 C ATOM 524 C LEU A 508 15.811 8.402 4.595 1.00 0.00 C ATOM 525 O LEU A 508 16.390 8.167 3.533 1.00 0.00 O ATOM 526 CB LEU A 508 13.412 9.020 4.132 1.00 0.00 C ATOM 527 CG LEU A 508 11.900 8.905 4.424 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.145 10.083 3.801 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.291 7.609 3.890 1.00 0.00 C ATOM 0 H LEU A 508 14.136 8.640 6.706 1.00 0.00 H new ATOM 0 HA LEU A 508 14.216 6.999 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.745 10.004 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.551 8.982 3.052 1.00 0.00 H new ATOM 0 HG LEU A 508 11.799 8.910 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.081 9.987 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.517 11.017 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.299 10.084 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.227 7.583 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.426 7.562 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.785 6.756 4.355 1.00 0.00 H new ATOM 541 N ASP A 509 16.424 9.011 5.622 1.00 0.00 N ATOM 542 CA ASP A 509 17.845 9.412 5.637 1.00 0.00 C ATOM 543 C ASP A 509 18.402 9.423 7.072 1.00 0.00 C ATOM 544 O ASP A 509 17.730 9.894 7.988 1.00 0.00 O ATOM 545 CB ASP A 509 18.008 10.822 5.046 1.00 0.00 C ATOM 546 CG ASP A 509 18.035 10.849 3.511 1.00 0.00 C ATOM 547 OD1 ASP A 509 19.026 10.351 2.919 1.00 0.00 O ATOM 548 OD2 ASP A 509 17.111 11.430 2.890 1.00 0.00 O ATOM 0 H ASP A 509 15.936 9.245 6.487 1.00 0.00 H new ATOM 0 HA ASP A 509 18.395 8.686 5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.189 11.450 5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 509 18.931 11.260 5.425 1.00 0.00 H new ATOM 553 N ASP A 510 19.637 8.940 7.258 1.00 0.00 N ATOM 554 CA ASP A 510 20.245 8.643 8.569 1.00 0.00 C ATOM 555 C ASP A 510 21.770 8.909 8.615 1.00 0.00 C ATOM 556 O ASP A 510 22.567 8.074 9.060 1.00 0.00 O ATOM 557 CB ASP A 510 19.861 7.220 9.022 1.00 0.00 C ATOM 558 CG ASP A 510 20.009 6.126 7.943 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.004 6.118 7.176 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.125 5.237 7.868 1.00 0.00 O ATOM 0 H ASP A 510 20.263 8.738 6.479 1.00 0.00 H new ATOM 0 HA ASP A 510 19.831 9.346 9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.478 6.949 9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.827 7.232 9.366 1.00 0.00 H new ATOM 565 N SER A 511 22.190 10.097 8.154 1.00 0.00 N ATOM 566 CA SER A 511 23.609 10.485 7.999 1.00 0.00 C ATOM 567 C SER A 511 23.995 11.744 8.808 1.00 0.00 C ATOM 568 O SER A 511 25.139 12.206 8.748 1.00 0.00 O ATOM 569 CB SER A 511 23.897 10.647 6.496 1.00 0.00 C ATOM 570 OG SER A 511 25.285 10.618 6.194 1.00 0.00 O ATOM 0 H SER A 511 21.543 10.833 7.871 1.00 0.00 H new ATOM 0 HA SER A 511 24.235 9.697 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.394 9.851 5.947 1.00 0.00 H new ATOM 0 HB3 SER A 511 23.474 11.590 6.150 1.00 0.00 H new ATOM 0 HG SER A 511 25.777 11.136 6.865 1.00 0.00 H new ATOM 576 N ARG A 512 23.056 12.297 9.593 1.00 0.00 N ATOM 577 CA ARG A 512 23.201 13.534 10.391 1.00 0.00 C ATOM 578 C ARG A 512 22.440 13.470 11.732 1.00 0.00 C ATOM 579 O ARG A 512 21.810 12.458 12.046 1.00 0.00 O ATOM 580 CB ARG A 512 22.721 14.739 9.557 1.00 0.00 C ATOM 581 CG ARG A 512 23.503 15.008 8.262 1.00 0.00 C ATOM 582 CD ARG A 512 23.189 16.426 7.758 1.00 0.00 C ATOM 583 NE ARG A 512 23.868 16.731 6.483 1.00 0.00 N ATOM 584 CZ ARG A 512 25.132 17.077 6.307 1.00 0.00 C ATOM 585 NH1 ARG A 512 25.985 17.144 7.292 1.00 0.00 N ATOM 586 NH2 ARG A 512 25.570 17.369 5.118 1.00 0.00 N ATOM 0 H ARG A 512 22.132 11.878 9.696 1.00 0.00 H new ATOM 0 HA ARG A 512 24.257 13.647 10.638 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.673 14.586 9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.770 15.631 10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.573 14.903 8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.234 14.273 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.112 16.533 7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 512 23.493 17.153 8.512 1.00 0.00 H new ATOM 0 HE ARG A 512 23.296 16.667 5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 512 25.685 16.925 8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 512 26.952 17.415 7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 512 24.938 17.331 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 512 26.546 17.636 4.985 1.00 0.00 H new ATOM 600 N LYS A 513 22.499 14.553 12.522 1.00 0.00 N ATOM 601 CA LYS A 513 21.817 14.725 13.825 1.00 0.00 C ATOM 602 C LYS A 513 20.283 14.644 13.752 1.00 0.00 C ATOM 603 O LYS A 513 19.640 14.301 14.745 1.00 0.00 O ATOM 604 CB LYS A 513 22.202 16.090 14.428 1.00 0.00 C ATOM 605 CG LYS A 513 23.684 16.300 14.773 1.00 0.00 C ATOM 606 CD LYS A 513 24.129 15.481 15.990 1.00 0.00 C ATOM 607 CE LYS A 513 25.535 15.914 16.421 1.00 0.00 C ATOM 608 NZ LYS A 513 26.012 15.134 17.596 1.00 0.00 N ATOM 0 H LYS A 513 23.047 15.373 12.263 1.00 0.00 H new ATOM 0 HA LYS A 513 22.150 13.894 14.447 1.00 0.00 H new ATOM 0 HB2 LYS A 513 21.903 16.868 13.726 1.00 0.00 H new ATOM 0 HB3 LYS A 513 21.617 16.238 15.336 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.295 16.027 13.913 1.00 0.00 H new ATOM 0 HG3 LYS A 513 23.861 17.358 14.967 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.427 15.623 16.812 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.124 14.419 15.746 1.00 0.00 H new ATOM 0 HE2 LYS A 513 26.228 15.782 15.590 1.00 0.00 H new ATOM 0 HE3 LYS A 513 25.530 16.976 16.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 26.966 15.453 17.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 25.364 15.280 18.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.040 14.123 17.353 1.00 0.00 H new ATOM 622 N TRP A 514 19.680 14.946 12.605 1.00 0.00 N ATOM 623 CA TRP A 514 18.235 14.851 12.392 1.00 0.00 C ATOM 624 C TRP A 514 17.945 13.950 11.194 1.00 0.00 C ATOM 625 O TRP A 514 18.528 14.120 10.119 1.00 0.00 O ATOM 626 CB TRP A 514 17.617 16.239 12.191 1.00 0.00 C ATOM 627 CG TRP A 514 17.618 17.152 13.382 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.698 17.617 14.050 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.468 17.753 14.044 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.295 18.386 15.125 1.00 0.00 N ATOM 631 CE2 TRP A 514 16.922 18.482 15.181 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.084 17.765 13.780 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.037 19.128 16.053 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.188 18.447 14.617 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.661 19.116 15.764 1.00 0.00 C ATOM 0 H TRP A 514 20.189 15.269 11.782 1.00 0.00 H new ATOM 0 HA TRP A 514 17.781 14.412 13.280 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.150 16.736 11.380 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.586 16.109 11.862 1.00 0.00 H new ATOM 0 HD1 TRP A 514 19.725 17.417 13.782 1.00 0.00 H new ATOM 0 HE1 TRP A 514 18.931 18.825 15.790 1.00 0.00 H new ATOM 0 HE3 TRP A 514 14.705 17.239 12.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.406 19.629 16.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.134 18.459 14.382 1.00 0.00 H new ATOM 0 HH2 TRP A 514 13.967 19.619 16.421 1.00 0.00 H new ATOM 646 N TRP A 515 17.053 12.975 11.382 1.00 0.00 N ATOM 647 CA TRP A 515 16.716 12.004 10.338 1.00 0.00 C ATOM 648 C TRP A 515 15.427 12.413 9.635 1.00 0.00 C ATOM 649 O TRP A 515 14.481 12.895 10.269 1.00 0.00 O ATOM 650 CB TRP A 515 16.659 10.573 10.896 1.00 0.00 C ATOM 651 CG TRP A 515 17.940 10.025 11.466 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.143 10.645 11.541 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.172 8.686 11.991 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.083 9.795 12.087 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.540 8.563 12.376 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.356 7.551 12.147 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.068 7.373 12.898 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.870 6.349 12.666 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.223 6.258 13.046 1.00 0.00 C ATOM 0 H TRP A 515 16.547 12.836 12.256 1.00 0.00 H new ATOM 0 HA TRP A 515 17.510 12.004 9.591 1.00 0.00 H new ATOM 0 HB2 TRP A 515 15.897 10.540 11.675 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.328 9.908 10.098 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.338 11.658 11.220 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.057 10.047 12.255 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.315 7.603 11.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.108 7.314 13.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.223 5.491 12.774 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.611 5.335 13.450 1.00 0.00 H new ATOM 670 N LYS A 516 15.395 12.245 8.307 1.00 0.00 N ATOM 671 CA LYS A 516 14.210 12.497 7.501 1.00 0.00 C ATOM 672 C LYS A 516 13.293 11.311 7.684 1.00 0.00 C ATOM 673 O LYS A 516 13.626 10.226 7.233 1.00 0.00 O ATOM 674 CB LYS A 516 14.582 12.739 6.027 1.00 0.00 C ATOM 675 CG LYS A 516 13.368 13.158 5.188 1.00 0.00 C ATOM 676 CD LYS A 516 13.769 13.588 3.771 1.00 0.00 C ATOM 677 CE LYS A 516 12.529 14.055 2.995 1.00 0.00 C ATOM 678 NZ LYS A 516 12.867 14.433 1.596 1.00 0.00 N ATOM 0 H LYS A 516 16.199 11.928 7.765 1.00 0.00 H new ATOM 0 HA LYS A 516 13.701 13.406 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.347 13.513 5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.015 11.830 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.664 12.328 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 516 12.851 13.980 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.502 14.393 3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.243 12.756 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.783 13.260 2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.080 14.908 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.006 14.743 1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.560 15.209 1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.272 13.612 1.103 1.00 0.00 H new ATOM 692 N VAL A 517 12.185 11.489 8.384 1.00 0.00 N ATOM 693 CA VAL A 517 11.176 10.439 8.600 1.00 0.00 C ATOM 694 C VAL A 517 9.802 10.880 8.081 1.00 0.00 C ATOM 695 O VAL A 517 9.634 12.022 7.638 1.00 0.00 O ATOM 696 CB VAL A 517 11.107 9.984 10.081 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.484 9.763 10.716 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.350 10.972 10.970 1.00 0.00 C ATOM 0 H VAL A 517 11.948 12.376 8.829 1.00 0.00 H new ATOM 0 HA VAL A 517 11.490 9.569 8.022 1.00 0.00 H new ATOM 0 HB VAL A 517 10.572 9.035 10.033 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.360 9.446 11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.021 8.992 10.162 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.052 10.693 10.686 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.334 10.601 11.995 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.848 11.941 10.943 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.328 11.079 10.607 1.00 0.00 H new ATOM 708 N ARG A 518 8.805 9.993 8.178 1.00 0.00 N ATOM 709 CA ARG A 518 7.400 10.274 7.833 1.00 0.00 C ATOM 710 C ARG A 518 6.457 9.880 8.969 1.00 0.00 C ATOM 711 O ARG A 518 6.648 8.839 9.602 1.00 0.00 O ATOM 712 CB ARG A 518 7.053 9.547 6.525 1.00 0.00 C ATOM 713 CG ARG A 518 5.713 9.999 5.924 1.00 0.00 C ATOM 714 CD ARG A 518 5.347 9.176 4.689 1.00 0.00 C ATOM 715 NE ARG A 518 4.880 7.828 5.066 1.00 0.00 N ATOM 716 CZ ARG A 518 4.793 6.772 4.275 1.00 0.00 C ATOM 717 NH1 ARG A 518 5.116 6.820 3.012 1.00 0.00 N ATOM 718 NH2 ARG A 518 4.358 5.637 4.744 1.00 0.00 N ATOM 0 H ARG A 518 8.952 9.038 8.505 1.00 0.00 H new ATOM 0 HA ARG A 518 7.272 11.346 7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 518 7.847 9.719 5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.018 8.474 6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 518 4.927 9.903 6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.771 11.054 5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.568 9.689 4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.214 9.093 4.034 1.00 0.00 H new ATOM 0 HE ARG A 518 4.595 7.697 6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.449 7.693 2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 518 5.036 5.984 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 518 4.084 5.562 5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 518 4.292 4.824 4.132 1.00 0.00 H new ATOM 732 N ASP A 519 5.450 10.713 9.225 1.00 0.00 N ATOM 733 CA ASP A 519 4.398 10.419 10.204 1.00 0.00 C ATOM 734 C ASP A 519 3.444 9.289 9.720 1.00 0.00 C ATOM 735 O ASP A 519 3.467 8.906 8.543 1.00 0.00 O ATOM 736 CB ASP A 519 3.707 11.745 10.591 1.00 0.00 C ATOM 737 CG ASP A 519 2.503 12.175 9.732 1.00 0.00 C ATOM 738 OD1 ASP A 519 2.340 11.681 8.594 1.00 0.00 O ATOM 739 OD2 ASP A 519 1.724 13.038 10.204 1.00 0.00 O ATOM 0 H ASP A 519 5.338 11.614 8.760 1.00 0.00 H new ATOM 0 HA ASP A 519 4.828 10.003 11.115 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.375 11.666 11.626 1.00 0.00 H new ATOM 0 HB3 ASP A 519 4.452 12.540 10.555 1.00 0.00 H new ATOM 744 N PRO A 520 2.594 8.725 10.600 1.00 0.00 N ATOM 745 CA PRO A 520 1.654 7.650 10.257 1.00 0.00 C ATOM 746 C PRO A 520 0.402 8.127 9.478 1.00 0.00 C ATOM 747 O PRO A 520 -0.666 7.515 9.583 1.00 0.00 O ATOM 748 CB PRO A 520 1.343 6.969 11.598 1.00 0.00 C ATOM 749 CG PRO A 520 1.461 8.106 12.607 1.00 0.00 C ATOM 750 CD PRO A 520 2.589 8.957 12.038 1.00 0.00 C ATOM 0 HA PRO A 520 2.090 6.948 9.546 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.346 6.529 11.603 1.00 0.00 H new ATOM 0 HB3 PRO A 520 2.047 6.166 11.814 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.532 8.670 12.689 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.698 7.737 13.605 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.430 10.012 12.261 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.546 8.679 12.480 1.00 0.00 H new ATOM 758 N ALA A 521 0.510 9.203 8.687 1.00 0.00 N ATOM 759 CA ALA A 521 -0.565 9.739 7.847 1.00 0.00 C ATOM 760 C ALA A 521 -0.104 10.133 6.427 1.00 0.00 C ATOM 761 O ALA A 521 -0.828 9.865 5.462 1.00 0.00 O ATOM 762 CB ALA A 521 -1.194 10.938 8.566 1.00 0.00 C ATOM 0 H ALA A 521 1.375 9.739 8.613 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.299 8.946 7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.997 11.349 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.598 10.616 9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -0.435 11.703 8.730 1.00 0.00 H new ATOM 768 N GLY A 522 1.085 10.730 6.278 1.00 0.00 N ATOM 769 CA GLY A 522 1.650 11.093 4.970 1.00 0.00 C ATOM 770 C GLY A 522 2.595 12.294 4.921 1.00 0.00 C ATOM 771 O GLY A 522 2.801 12.850 3.838 1.00 0.00 O ATOM 0 H GLY A 522 1.686 10.976 7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.186 10.227 4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.822 11.287 4.288 1.00 0.00 H new ATOM 775 N GLN A 523 3.149 12.726 6.052 1.00 0.00 N ATOM 776 CA GLN A 523 3.888 13.983 6.172 1.00 0.00 C ATOM 777 C GLN A 523 5.364 13.701 6.431 1.00 0.00 C ATOM 778 O GLN A 523 5.697 12.997 7.382 1.00 0.00 O ATOM 779 CB GLN A 523 3.316 14.797 7.337 1.00 0.00 C ATOM 780 CG GLN A 523 1.805 14.999 7.238 1.00 0.00 C ATOM 781 CD GLN A 523 1.303 16.059 8.213 1.00 0.00 C ATOM 782 OE1 GLN A 523 1.131 17.225 7.874 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.051 15.707 9.455 1.00 0.00 N ATOM 0 H GLN A 523 3.097 12.204 6.927 1.00 0.00 H new ATOM 0 HA GLN A 523 3.790 14.545 5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.549 14.292 8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.806 15.770 7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.545 15.291 6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.299 14.054 7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 523 1.190 14.740 9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 523 0.717 16.401 10.124 1.00 0.00 H new ATOM 792 N GLU A 524 6.242 14.256 5.595 1.00 0.00 N ATOM 793 CA GLU A 524 7.700 14.109 5.687 1.00 0.00 C ATOM 794 C GLU A 524 8.361 15.422 6.139 1.00 0.00 C ATOM 795 O GLU A 524 7.891 16.525 5.841 1.00 0.00 O ATOM 796 CB GLU A 524 8.285 13.687 4.328 1.00 0.00 C ATOM 797 CG GLU A 524 7.780 12.324 3.838 1.00 0.00 C ATOM 798 CD GLU A 524 8.106 12.047 2.356 1.00 0.00 C ATOM 799 OE1 GLU A 524 9.119 12.564 1.822 1.00 0.00 O ATOM 800 OE2 GLU A 524 7.337 11.296 1.705 1.00 0.00 O ATOM 0 H GLU A 524 5.952 14.839 4.810 1.00 0.00 H new ATOM 0 HA GLU A 524 7.908 13.337 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.038 14.445 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.372 13.657 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.221 11.539 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.701 12.272 3.981 1.00 0.00 H new ATOM 807 N GLY A 525 9.472 15.293 6.861 1.00 0.00 N ATOM 808 CA GLY A 525 10.217 16.402 7.465 1.00 0.00 C ATOM 809 C GLY A 525 11.443 15.876 8.203 1.00 0.00 C ATOM 810 O GLY A 525 12.035 14.895 7.772 1.00 0.00 O ATOM 0 H GLY A 525 9.895 14.384 7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.524 17.107 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.574 16.947 8.156 1.00 0.00 H new ATOM 814 N TYR A 526 11.802 16.475 9.333 1.00 0.00 N ATOM 815 CA TYR A 526 12.957 16.102 10.153 1.00 0.00 C ATOM 816 C TYR A 526 12.587 15.998 11.638 1.00 0.00 C ATOM 817 O TYR A 526 11.769 16.766 12.148 1.00 0.00 O ATOM 818 CB TYR A 526 14.099 17.114 9.938 1.00 0.00 C ATOM 819 CG TYR A 526 14.806 17.026 8.593 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.613 15.909 8.303 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.704 18.072 7.653 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.295 15.821 7.074 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.380 17.987 6.419 1.00 0.00 C ATOM 824 CZ TYR A 526 16.171 16.857 6.124 1.00 0.00 C ATOM 825 OH TYR A 526 16.810 16.774 4.925 1.00 0.00 O ATOM 0 H TYR A 526 11.281 17.262 9.720 1.00 0.00 H new ATOM 0 HA TYR A 526 13.295 15.115 9.838 1.00 0.00 H new ATOM 0 HB2 TYR A 526 13.696 18.120 10.052 1.00 0.00 H new ATOM 0 HB3 TYR A 526 14.838 16.975 10.727 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.710 15.114 9.028 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.105 18.942 7.879 1.00 0.00 H new ATOM 0 HE1 TYR A 526 16.912 14.961 6.859 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.292 18.787 5.699 1.00 0.00 H new ATOM 0 HH TYR A 526 16.613 17.574 4.394 1.00 0.00 H new ATOM 835 N VAL A 527 13.233 15.057 12.334 1.00 0.00 N ATOM 836 CA VAL A 527 13.115 14.835 13.787 1.00 0.00 C ATOM 837 C VAL A 527 14.489 14.503 14.399 1.00 0.00 C ATOM 838 O VAL A 527 15.351 13.957 13.701 1.00 0.00 O ATOM 839 CB VAL A 527 12.105 13.710 14.113 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.666 14.119 13.782 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.436 12.404 13.392 1.00 0.00 C ATOM 0 H VAL A 527 13.877 14.403 11.889 1.00 0.00 H new ATOM 0 HA VAL A 527 12.743 15.760 14.227 1.00 0.00 H new ATOM 0 HB VAL A 527 12.188 13.543 15.187 1.00 0.00 H new ATOM 0 HG11 VAL A 527 9.990 13.300 14.026 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.395 15.000 14.365 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.588 14.349 12.719 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.698 11.646 13.654 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.420 12.569 12.315 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.427 12.064 13.692 1.00 0.00 H new ATOM 851 N PRO A 528 14.720 14.813 15.688 1.00 0.00 N ATOM 852 CA PRO A 528 16.013 14.605 16.338 1.00 0.00 C ATOM 853 C PRO A 528 16.317 13.114 16.529 1.00 0.00 C ATOM 854 O PRO A 528 15.521 12.390 17.125 1.00 0.00 O ATOM 855 CB PRO A 528 15.890 15.335 17.681 1.00 0.00 C ATOM 856 CG PRO A 528 14.397 15.322 17.993 1.00 0.00 C ATOM 857 CD PRO A 528 13.782 15.449 16.606 1.00 0.00 C ATOM 0 HA PRO A 528 16.840 14.987 15.739 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.462 14.830 18.460 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.272 16.354 17.614 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.092 14.402 18.492 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.109 16.147 18.644 1.00 0.00 H new ATOM 0 HD2 PRO A 528 12.807 14.963 16.566 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.628 16.495 16.342 1.00 0.00 H new ATOM 865 N TYR A 529 17.499 12.650 16.113 1.00 0.00 N ATOM 866 CA TYR A 529 17.913 11.247 16.306 1.00 0.00 C ATOM 867 C TYR A 529 17.943 10.790 17.777 1.00 0.00 C ATOM 868 O TYR A 529 17.869 9.594 18.051 1.00 0.00 O ATOM 869 CB TYR A 529 19.275 10.977 15.646 1.00 0.00 C ATOM 870 CG TYR A 529 20.507 11.298 16.493 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.672 12.573 17.067 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.473 10.304 16.744 1.00 0.00 C ATOM 873 CE1 TYR A 529 21.786 12.874 17.873 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.587 10.586 17.560 1.00 0.00 C ATOM 875 CZ TYR A 529 22.748 11.872 18.125 1.00 0.00 C ATOM 876 OH TYR A 529 23.826 12.150 18.907 1.00 0.00 O ATOM 0 H TYR A 529 18.194 13.226 15.637 1.00 0.00 H new ATOM 0 HA TYR A 529 17.140 10.654 15.817 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.317 9.925 15.364 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.331 11.557 14.725 1.00 0.00 H new ATOM 0 HD1 TYR A 529 19.929 13.335 16.885 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.360 9.322 16.309 1.00 0.00 H new ATOM 0 HE1 TYR A 529 21.904 13.861 18.294 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.320 9.817 17.754 1.00 0.00 H new ATOM 0 HH TYR A 529 24.391 11.352 18.981 1.00 0.00 H new ATOM 886 N ASN A 530 18.025 11.728 18.731 1.00 0.00 N ATOM 887 CA ASN A 530 18.080 11.430 20.163 1.00 0.00 C ATOM 888 C ASN A 530 16.807 10.701 20.651 1.00 0.00 C ATOM 889 O ASN A 530 16.892 9.764 21.447 1.00 0.00 O ATOM 890 CB ASN A 530 18.323 12.758 20.904 1.00 0.00 C ATOM 891 CG ASN A 530 18.806 12.589 22.339 1.00 0.00 C ATOM 892 OD1 ASN A 530 18.459 11.669 23.064 1.00 0.00 O ATOM 893 ND2 ASN A 530 19.642 13.487 22.802 1.00 0.00 N ATOM 0 H ASN A 530 18.055 12.726 18.524 1.00 0.00 H new ATOM 0 HA ASN A 530 18.897 10.740 20.374 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.059 13.341 20.350 1.00 0.00 H new ATOM 0 HB3 ASN A 530 17.398 13.334 20.909 1.00 0.00 H new ATOM 0 HD21 ASN A 530 19.994 13.412 23.756 1.00 0.00 H new ATOM 0 HD22 ASN A 530 19.940 14.260 22.208 1.00 0.00 H new ATOM 900 N ILE A 531 15.631 11.079 20.122 1.00 0.00 N ATOM 901 CA ILE A 531 14.349 10.438 20.470 1.00 0.00 C ATOM 902 C ILE A 531 14.068 9.191 19.617 1.00 0.00 C ATOM 903 O ILE A 531 13.064 8.527 19.856 1.00 0.00 O ATOM 904 CB ILE A 531 13.154 11.432 20.434 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.644 11.713 19.001 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.524 12.734 21.167 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.504 12.733 18.909 1.00 0.00 C ATOM 0 H ILE A 531 15.541 11.835 19.443 1.00 0.00 H new ATOM 0 HA ILE A 531 14.453 10.105 21.503 1.00 0.00 H new ATOM 0 HB ILE A 531 12.323 10.957 20.956 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.479 12.068 18.397 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.308 10.774 18.560 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.679 13.422 21.135 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.770 12.510 22.205 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.385 13.193 20.681 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.215 12.863 17.866 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.648 12.374 19.481 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.837 13.688 19.315 1.00 0.00 H new ATOM 919 N LEU A 532 14.906 8.878 18.621 1.00 0.00 N ATOM 920 CA LEU A 532 14.711 7.748 17.711 1.00 0.00 C ATOM 921 C LEU A 532 15.583 6.559 18.139 1.00 0.00 C ATOM 922 O LEU A 532 16.815 6.640 18.097 1.00 0.00 O ATOM 923 CB LEU A 532 15.061 8.183 16.275 1.00 0.00 C ATOM 924 CG LEU A 532 14.257 9.368 15.713 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.758 9.695 14.298 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.750 9.111 15.694 1.00 0.00 C ATOM 0 H LEU A 532 15.752 9.413 18.424 1.00 0.00 H new ATOM 0 HA LEU A 532 13.668 7.434 17.747 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.120 8.440 16.243 1.00 0.00 H new ATOM 0 HB3 LEU A 532 14.920 7.328 15.613 1.00 0.00 H new ATOM 0 HG LEU A 532 14.417 10.217 16.378 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.191 10.534 13.896 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.815 9.957 14.338 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.624 8.825 13.655 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.237 9.983 15.287 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.537 8.242 15.072 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.400 8.925 16.709 1.00 0.00 H new ATOM 938 N THR A 533 14.957 5.436 18.504 1.00 0.00 N ATOM 939 CA THR A 533 15.668 4.187 18.828 1.00 0.00 C ATOM 940 C THR A 533 15.461 3.133 17.728 1.00 0.00 C ATOM 941 O THR A 533 14.346 3.020 17.203 1.00 0.00 O ATOM 942 CB THR A 533 15.286 3.655 20.225 1.00 0.00 C ATOM 943 OG1 THR A 533 15.965 2.457 20.524 1.00 0.00 O ATOM 944 CG2 THR A 533 13.806 3.345 20.394 1.00 0.00 C ATOM 0 H THR A 533 13.943 5.363 18.584 1.00 0.00 H new ATOM 0 HA THR A 533 16.734 4.412 18.865 1.00 0.00 H new ATOM 0 HB THR A 533 15.565 4.469 20.894 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.703 2.146 21.416 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.624 2.977 21.404 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.223 4.251 20.228 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.509 2.585 19.672 1.00 0.00 H new ATOM 952 N PRO A 534 16.499 2.357 17.349 1.00 0.00 N ATOM 953 CA PRO A 534 16.388 1.288 16.358 1.00 0.00 C ATOM 954 C PRO A 534 15.434 0.195 16.858 1.00 0.00 C ATOM 955 O PRO A 534 15.731 -0.504 17.830 1.00 0.00 O ATOM 956 CB PRO A 534 17.820 0.781 16.133 1.00 0.00 C ATOM 957 CG PRO A 534 18.536 1.114 17.442 1.00 0.00 C ATOM 958 CD PRO A 534 17.853 2.406 17.884 1.00 0.00 C ATOM 0 HA PRO A 534 15.962 1.630 15.415 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.838 -0.290 15.929 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.290 1.275 15.283 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.418 0.321 18.181 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.607 1.253 17.293 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.839 2.486 18.971 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.389 3.277 17.507 1.00 0.00 H new ATOM 966 N TYR A 535 14.270 0.071 16.212 1.00 0.00 N ATOM 967 CA TYR A 535 13.180 -0.819 16.634 1.00 0.00 C ATOM 968 C TYR A 535 13.654 -2.297 16.668 1.00 0.00 C ATOM 969 O TYR A 535 13.985 -2.845 15.609 1.00 0.00 O ATOM 970 CB TYR A 535 11.974 -0.599 15.701 1.00 0.00 C ATOM 971 CG TYR A 535 10.639 -1.044 16.274 1.00 0.00 C ATOM 972 CD1 TYR A 535 10.381 -2.408 16.520 1.00 0.00 C ATOM 973 CD2 TYR A 535 9.651 -0.083 16.573 1.00 0.00 C ATOM 974 CE1 TYR A 535 9.165 -2.805 17.111 1.00 0.00 C ATOM 975 CE2 TYR A 535 8.429 -0.476 17.150 1.00 0.00 C ATOM 976 CZ TYR A 535 8.188 -1.838 17.433 1.00 0.00 C ATOM 977 OH TYR A 535 7.014 -2.211 18.010 1.00 0.00 O ATOM 0 H TYR A 535 14.054 0.596 15.365 1.00 0.00 H new ATOM 0 HA TYR A 535 12.871 -0.581 17.652 1.00 0.00 H new ATOM 0 HB2 TYR A 535 11.912 0.461 15.453 1.00 0.00 H new ATOM 0 HB3 TYR A 535 12.151 -1.135 14.769 1.00 0.00 H new ATOM 0 HD1 TYR A 535 11.118 -3.151 16.254 1.00 0.00 H new ATOM 0 HD2 TYR A 535 9.833 0.960 16.358 1.00 0.00 H new ATOM 0 HE1 TYR A 535 8.980 -3.849 17.318 1.00 0.00 H new ATOM 0 HE2 TYR A 535 7.676 0.264 17.376 1.00 0.00 H new ATOM 0 HH TYR A 535 6.459 -1.418 18.164 1.00 0.00 H new ATOM 987 N PRO A 536 13.731 -2.955 17.846 1.00 0.00 N ATOM 988 CA PRO A 536 14.387 -4.262 17.981 1.00 0.00 C ATOM 989 C PRO A 536 13.530 -5.448 17.500 1.00 0.00 C ATOM 990 O PRO A 536 14.082 -6.449 17.029 1.00 0.00 O ATOM 991 CB PRO A 536 14.718 -4.387 19.471 1.00 0.00 C ATOM 992 CG PRO A 536 13.619 -3.573 20.153 1.00 0.00 C ATOM 993 CD PRO A 536 13.362 -2.440 19.160 1.00 0.00 C ATOM 0 HA PRO A 536 15.270 -4.305 17.343 1.00 0.00 H new ATOM 0 HB2 PRO A 536 14.708 -5.427 19.798 1.00 0.00 H new ATOM 0 HB3 PRO A 536 15.708 -3.991 19.696 1.00 0.00 H new ATOM 0 HG2 PRO A 536 12.723 -4.170 20.325 1.00 0.00 H new ATOM 0 HG3 PRO A 536 13.941 -3.194 21.123 1.00 0.00 H new ATOM 0 HD2 PRO A 536 12.315 -2.137 19.179 1.00 0.00 H new ATOM 0 HD3 PRO A 536 13.953 -1.560 19.413 1.00 0.00 H new ATOM 1001 N GLY A 537 12.196 -5.342 17.592 1.00 0.00 N ATOM 1002 CA GLY A 537 11.226 -6.385 17.207 1.00 0.00 C ATOM 1003 C GLY A 537 10.835 -7.348 18.333 1.00 0.00 C ATOM 1004 O GLY A 537 9.995 -8.234 18.063 1.00 0.00 O ATOM 0 H GLY A 537 11.745 -4.500 17.948 1.00 0.00 H new ATOM 0 HA2 GLY A 537 10.324 -5.901 16.832 1.00 0.00 H new ATOM 0 HA3 GLY A 537 11.644 -6.963 16.383 1.00 0.00 H new TER 1008 GLY A 537 ATOM 1009 N PRO B 538 19.748 16.095 26.787 1.00 0.00 N ATOM 1010 CA PRO B 538 18.356 16.422 26.361 1.00 0.00 C ATOM 1011 C PRO B 538 18.148 16.190 24.849 1.00 0.00 C ATOM 1012 O PRO B 538 19.132 16.182 24.102 1.00 0.00 O ATOM 1013 CB PRO B 538 18.108 17.893 26.739 1.00 0.00 C ATOM 1014 CG PRO B 538 19.509 18.504 26.711 1.00 0.00 C ATOM 1015 CD PRO B 538 20.327 17.360 27.300 1.00 0.00 C ATOM 0 HA PRO B 538 17.644 15.766 26.862 1.00 0.00 H new ATOM 0 HB2 PRO B 538 17.441 18.384 26.030 1.00 0.00 H new ATOM 0 HB3 PRO B 538 17.649 17.984 27.724 1.00 0.00 H new ATOM 0 HG2 PRO B 538 19.827 18.763 25.701 1.00 0.00 H new ATOM 0 HG3 PRO B 538 19.577 19.412 27.310 1.00 0.00 H new ATOM 0 HD2 PRO B 538 21.374 17.448 27.012 1.00 0.00 H new ATOM 0 HD3 PRO B 538 20.293 17.384 28.389 1.00 0.00 H new ATOM 1023 N PRO B 539 16.895 16.024 24.378 1.00 0.00 N ATOM 1024 CA PRO B 539 16.566 15.976 22.948 1.00 0.00 C ATOM 1025 C PRO B 539 16.814 17.330 22.250 1.00 0.00 C ATOM 1026 O PRO B 539 17.173 18.319 22.895 1.00 0.00 O ATOM 1027 CB PRO B 539 15.098 15.541 22.901 1.00 0.00 C ATOM 1028 CG PRO B 539 14.518 16.122 24.187 1.00 0.00 C ATOM 1029 CD PRO B 539 15.673 15.969 25.176 1.00 0.00 C ATOM 0 HA PRO B 539 17.203 15.280 22.402 1.00 0.00 H new ATOM 0 HB2 PRO B 539 14.591 15.932 22.019 1.00 0.00 H new ATOM 0 HB3 PRO B 539 15.001 14.456 22.870 1.00 0.00 H new ATOM 0 HG2 PRO B 539 14.226 17.165 24.064 1.00 0.00 H new ATOM 0 HG3 PRO B 539 13.631 15.578 24.513 1.00 0.00 H new ATOM 0 HD2 PRO B 539 15.657 16.765 25.921 1.00 0.00 H new ATOM 0 HD3 PRO B 539 15.602 15.025 25.716 1.00 0.00 H new ATOM 1037 N VAL B 540 16.606 17.379 20.924 1.00 0.00 N ATOM 1038 CA VAL B 540 16.933 18.534 20.054 1.00 0.00 C ATOM 1039 C VAL B 540 18.457 18.817 20.082 1.00 0.00 C ATOM 1040 O VAL B 540 18.909 19.759 20.744 1.00 0.00 O ATOM 1041 CB VAL B 540 16.050 19.769 20.370 1.00 0.00 C ATOM 1042 CG1 VAL B 540 16.194 20.928 19.375 1.00 0.00 C ATOM 1043 CG2 VAL B 540 14.561 19.395 20.385 1.00 0.00 C ATOM 0 H VAL B 540 16.196 16.600 20.409 1.00 0.00 H new ATOM 0 HA VAL B 540 16.687 18.279 19.023 1.00 0.00 H new ATOM 0 HB VAL B 540 16.405 20.099 21.346 1.00 0.00 H new ATOM 0 HG11 VAL B 540 15.541 21.748 19.674 1.00 0.00 H new ATOM 0 HG12 VAL B 540 17.228 21.273 19.366 1.00 0.00 H new ATOM 0 HG13 VAL B 540 15.916 20.588 18.377 1.00 0.00 H new ATOM 0 HG21 VAL B 540 13.966 20.280 20.609 1.00 0.00 H new ATOM 0 HG22 VAL B 540 14.275 19.003 19.409 1.00 0.00 H new ATOM 0 HG23 VAL B 540 14.384 18.636 21.147 1.00 0.00 H new ATOM 1053 N PRO B 541 19.271 17.966 19.417 1.00 0.00 N ATOM 1054 CA PRO B 541 20.730 18.097 19.305 1.00 0.00 C ATOM 1055 C PRO B 541 21.134 19.300 18.418 1.00 0.00 C ATOM 1056 O PRO B 541 20.299 20.137 18.061 1.00 0.00 O ATOM 1057 CB PRO B 541 21.189 16.754 18.727 1.00 0.00 C ATOM 1058 CG PRO B 541 20.043 16.392 17.799 1.00 0.00 C ATOM 1059 CD PRO B 541 18.830 16.851 18.592 1.00 0.00 C ATOM 0 HA PRO B 541 21.205 18.304 20.264 1.00 0.00 H new ATOM 0 HB2 PRO B 541 22.134 16.844 18.191 1.00 0.00 H new ATOM 0 HB3 PRO B 541 21.334 16.005 19.505 1.00 0.00 H new ATOM 0 HG2 PRO B 541 20.119 16.903 16.839 1.00 0.00 H new ATOM 0 HG3 PRO B 541 20.011 15.323 17.589 1.00 0.00 H new ATOM 0 HD2 PRO B 541 18.024 17.157 17.925 1.00 0.00 H new ATOM 0 HD3 PRO B 541 18.442 16.041 19.210 1.00 0.00 H new ATOM 1067 N ASN B 542 22.419 19.384 18.040 1.00 0.00 N ATOM 1068 CA ASN B 542 22.944 20.391 17.104 1.00 0.00 C ATOM 1069 C ASN B 542 22.078 20.568 15.830 1.00 0.00 C ATOM 1070 O ASN B 542 21.495 19.589 15.344 1.00 0.00 O ATOM 1071 CB ASN B 542 24.408 20.059 16.743 1.00 0.00 C ATOM 1072 CG ASN B 542 25.405 20.826 17.602 1.00 0.00 C ATOM 1073 OD1 ASN B 542 25.368 20.797 18.825 1.00 0.00 O ATOM 1074 ND2 ASN B 542 26.320 21.550 16.993 1.00 0.00 N ATOM 0 H ASN B 542 23.135 18.743 18.382 1.00 0.00 H new ATOM 0 HA ASN B 542 22.904 21.352 17.617 1.00 0.00 H new ATOM 0 HB2 ASN B 542 24.576 18.989 16.864 1.00 0.00 H new ATOM 0 HB3 ASN B 542 24.582 20.292 15.693 1.00 0.00 H new ATOM 0 HD21 ASN B 542 26.995 22.084 17.540 1.00 0.00 H new ATOM 0 HD22 ASN B 542 26.354 21.577 15.974 1.00 0.00 H new ATOM 1081 N PRO B 543 22.015 21.790 15.259 1.00 0.00 N ATOM 1082 CA PRO B 543 21.199 22.080 14.081 1.00 0.00 C ATOM 1083 C PRO B 543 21.668 21.276 12.860 1.00 0.00 C ATOM 1084 O PRO B 543 22.868 21.152 12.592 1.00 0.00 O ATOM 1085 CB PRO B 543 21.307 23.592 13.853 1.00 0.00 C ATOM 1086 CG PRO B 543 22.638 23.963 14.505 1.00 0.00 C ATOM 1087 CD PRO B 543 22.729 22.990 15.679 1.00 0.00 C ATOM 0 HA PRO B 543 20.161 21.786 14.235 1.00 0.00 H new ATOM 0 HB2 PRO B 543 21.299 23.838 12.791 1.00 0.00 H new ATOM 0 HB3 PRO B 543 20.474 24.126 14.311 1.00 0.00 H new ATOM 0 HG2 PRO B 543 23.473 23.842 13.815 1.00 0.00 H new ATOM 0 HG3 PRO B 543 22.648 25.001 14.839 1.00 0.00 H new ATOM 0 HD2 PRO B 543 23.768 22.763 15.919 1.00 0.00 H new ATOM 0 HD3 PRO B 543 22.281 23.417 16.576 1.00 0.00 H new ATOM 1095 N ASP B 544 20.707 20.728 12.115 1.00 0.00 N ATOM 1096 CA ASP B 544 20.963 19.962 10.892 1.00 0.00 C ATOM 1097 C ASP B 544 21.365 20.860 9.698 1.00 0.00 C ATOM 1098 O ASP B 544 21.403 22.092 9.811 1.00 0.00 O ATOM 1099 CB ASP B 544 19.732 19.097 10.582 1.00 0.00 C ATOM 1100 CG ASP B 544 20.175 17.751 9.994 1.00 0.00 C ATOM 1101 OD1 ASP B 544 20.755 16.941 10.756 1.00 0.00 O ATOM 1102 OD2 ASP B 544 19.984 17.533 8.775 1.00 0.00 O ATOM 0 H ASP B 544 19.716 20.804 12.346 1.00 0.00 H new ATOM 0 HA ASP B 544 21.823 19.314 11.059 1.00 0.00 H new ATOM 0 HB2 ASP B 544 19.153 18.934 11.491 1.00 0.00 H new ATOM 0 HB3 ASP B 544 19.081 19.615 9.878 1.00 0.00 H new ATOM 1107 N TYR B 545 21.644 20.252 8.541 1.00 0.00 N ATOM 1108 CA TYR B 545 22.100 20.947 7.328 1.00 0.00 C ATOM 1109 C TYR B 545 21.100 20.769 6.169 1.00 0.00 C ATOM 1110 O TYR B 545 20.382 19.770 6.101 1.00 0.00 O ATOM 1111 CB TYR B 545 23.511 20.451 6.962 1.00 0.00 C ATOM 1112 CG TYR B 545 24.413 21.521 6.374 1.00 0.00 C ATOM 1113 CD1 TYR B 545 24.959 22.506 7.221 1.00 0.00 C ATOM 1114 CD2 TYR B 545 24.727 21.525 5.001 1.00 0.00 C ATOM 1115 CE1 TYR B 545 25.815 23.495 6.700 1.00 0.00 C ATOM 1116 CE2 TYR B 545 25.586 22.512 4.474 1.00 0.00 C ATOM 1117 CZ TYR B 545 26.132 23.498 5.325 1.00 0.00 C ATOM 1118 OH TYR B 545 26.970 24.450 4.830 1.00 0.00 O ATOM 0 H TYR B 545 21.558 19.243 8.416 1.00 0.00 H new ATOM 0 HA TYR B 545 22.150 22.018 7.522 1.00 0.00 H new ATOM 0 HB2 TYR B 545 23.984 20.044 7.856 1.00 0.00 H new ATOM 0 HB3 TYR B 545 23.422 19.633 6.247 1.00 0.00 H new ATOM 0 HD1 TYR B 545 24.720 22.502 8.274 1.00 0.00 H new ATOM 0 HD2 TYR B 545 24.309 20.771 4.350 1.00 0.00 H new ATOM 0 HE1 TYR B 545 26.228 24.250 7.352 1.00 0.00 H new ATOM 0 HE2 TYR B 545 25.826 22.514 3.421 1.00 0.00 H new ATOM 0 HH TYR B 545 27.088 24.313 3.867 1.00 0.00 H new ATOM 1128 N GLU B 546 21.066 21.733 5.242 1.00 0.00 N ATOM 1129 CA GLU B 546 20.117 21.802 4.113 1.00 0.00 C ATOM 1130 C GLU B 546 18.617 21.690 4.522 1.00 0.00 C ATOM 1131 O GLU B 546 17.958 20.684 4.227 1.00 0.00 O ATOM 1132 CB GLU B 546 20.556 20.807 3.017 1.00 0.00 C ATOM 1133 CG GLU B 546 19.946 21.093 1.638 1.00 0.00 C ATOM 1134 CD GLU B 546 20.471 22.414 1.042 1.00 0.00 C ATOM 1135 OE1 GLU B 546 21.615 22.443 0.526 1.00 0.00 O ATOM 1136 OE2 GLU B 546 19.743 23.436 1.085 1.00 0.00 O ATOM 0 H GLU B 546 21.719 22.516 5.253 1.00 0.00 H new ATOM 0 HA GLU B 546 20.163 22.808 3.695 1.00 0.00 H new ATOM 0 HB2 GLU B 546 21.643 20.829 2.934 1.00 0.00 H new ATOM 0 HB3 GLU B 546 20.280 19.798 3.324 1.00 0.00 H new ATOM 0 HG2 GLU B 546 20.178 20.271 0.961 1.00 0.00 H new ATOM 0 HG3 GLU B 546 18.860 21.139 1.723 1.00 0.00 H new ATOM 1143 N PRO B 547 18.056 22.701 5.226 1.00 0.00 N ATOM 1144 CA PRO B 547 16.652 22.728 5.661 1.00 0.00 C ATOM 1145 C PRO B 547 15.636 22.863 4.502 1.00 0.00 C ATOM 1146 O PRO B 547 15.988 23.121 3.348 1.00 0.00 O ATOM 1147 CB PRO B 547 16.563 23.909 6.638 1.00 0.00 C ATOM 1148 CG PRO B 547 17.629 24.871 6.123 1.00 0.00 C ATOM 1149 CD PRO B 547 18.728 23.929 5.635 1.00 0.00 C ATOM 0 HA PRO B 547 16.380 21.779 6.124 1.00 0.00 H new ATOM 0 HB2 PRO B 547 15.573 24.364 6.630 1.00 0.00 H new ATOM 0 HB3 PRO B 547 16.763 23.599 7.664 1.00 0.00 H new ATOM 0 HG2 PRO B 547 17.250 25.501 5.319 1.00 0.00 H new ATOM 0 HG3 PRO B 547 17.986 25.537 6.909 1.00 0.00 H new ATOM 0 HD2 PRO B 547 19.277 24.369 4.802 1.00 0.00 H new ATOM 0 HD3 PRO B 547 19.452 23.732 6.426 1.00 0.00 H new ATOM 1157 N ILE B 548 14.345 22.731 4.838 1.00 0.00 N ATOM 1158 CA ILE B 548 13.192 22.724 3.904 1.00 0.00 C ATOM 1159 C ILE B 548 12.527 24.127 3.799 1.00 0.00 C ATOM 1160 O ILE B 548 11.340 24.271 3.493 1.00 0.00 O ATOM 1161 CB ILE B 548 12.178 21.614 4.303 1.00 0.00 C ATOM 1162 CG1 ILE B 548 12.853 20.326 4.852 1.00 0.00 C ATOM 1163 CG2 ILE B 548 11.274 21.239 3.120 1.00 0.00 C ATOM 1164 CD1 ILE B 548 11.933 19.114 5.069 1.00 0.00 C ATOM 0 H ILE B 548 14.055 22.621 5.810 1.00 0.00 H new ATOM 0 HA ILE B 548 13.561 22.489 2.906 1.00 0.00 H new ATOM 0 HB ILE B 548 11.583 22.044 5.109 1.00 0.00 H new ATOM 0 HG12 ILE B 548 13.646 20.035 4.163 1.00 0.00 H new ATOM 0 HG13 ILE B 548 13.330 20.568 5.802 1.00 0.00 H new ATOM 0 HG21 ILE B 548 10.576 20.461 3.428 1.00 0.00 H new ATOM 0 HG22 ILE B 548 10.718 22.118 2.794 1.00 0.00 H new ATOM 0 HG23 ILE B 548 11.886 20.871 2.296 1.00 0.00 H new ATOM 0 HD11 ILE B 548 12.517 18.278 5.453 1.00 0.00 H new ATOM 0 HD12 ILE B 548 11.154 19.372 5.786 1.00 0.00 H new ATOM 0 HD13 ILE B 548 11.475 18.831 4.121 1.00 0.00 H new ATOM 1176 N ARG B 549 13.283 25.184 4.110 1.00 0.00 N ATOM 1177 CA ARG B 549 12.848 26.598 4.137 1.00 0.00 C ATOM 1178 C ARG B 549 13.948 27.543 3.638 1.00 0.00 C ATOM 1179 O ARG B 549 15.096 27.453 4.132 1.00 0.00 O ATOM 1180 CB ARG B 549 12.384 27.007 5.552 1.00 0.00 C ATOM 1181 CG ARG B 549 11.141 26.238 6.041 1.00 0.00 C ATOM 1182 CD ARG B 549 10.594 26.772 7.373 1.00 0.00 C ATOM 1183 NE ARG B 549 10.072 28.152 7.278 1.00 0.00 N ATOM 1184 CZ ARG B 549 8.926 28.557 6.759 1.00 0.00 C ATOM 1185 NH1 ARG B 549 8.058 27.741 6.233 1.00 0.00 N ATOM 1186 NH2 ARG B 549 8.618 29.820 6.760 1.00 0.00 N ATOM 0 H ARG B 549 14.265 25.080 4.364 1.00 0.00 H new ATOM 0 HA ARG B 549 12.002 26.687 3.455 1.00 0.00 H new ATOM 0 HB2 ARG B 549 13.201 26.844 6.254 1.00 0.00 H new ATOM 0 HB3 ARG B 549 12.166 28.075 5.559 1.00 0.00 H new ATOM 0 HG2 ARG B 549 10.360 26.299 5.283 1.00 0.00 H new ATOM 0 HG3 ARG B 549 11.393 25.184 6.154 1.00 0.00 H new ATOM 0 HD2 ARG B 549 9.799 26.113 7.722 1.00 0.00 H new ATOM 0 HD3 ARG B 549 11.385 26.741 8.122 1.00 0.00 H new ATOM 0 HE ARG B 549 10.671 28.883 7.661 1.00 0.00 H new ATOM 0 HH11 ARG B 549 8.249 26.739 6.209 1.00 0.00 H new ATOM 0 HH12 ARG B 549 7.187 28.104 5.845 1.00 0.00 H new ATOM 0 HH21 ARG B 549 9.262 30.502 7.162 1.00 0.00 H new ATOM 0 HH22 ARG B 549 7.733 30.129 6.359 1.00 0.00 H new TER 1200 ARG B 549