USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 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 :FLIP amide:sc= -0.184 F(o=-2.3!,f=-0.18) 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=-0.00969 X(o=-0.0097,f=-0.0097) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 498 SER OG : rot 40:sc= 0.341 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=-0.029) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 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= -0.568 K(o=-0.57,f=-5.5!) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD Single : B 542 ASN : amide:sc=-0.00541 X(o=-0.0054,f=-0.0054) USER MOD Single : B 545 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 474 3.285 -2.232 1.216 1.00 0.00 N ATOM 2 CA GLY A 474 4.299 -2.425 0.156 1.00 0.00 C ATOM 3 C GLY A 474 5.550 -1.611 0.433 1.00 0.00 C ATOM 4 O GLY A 474 5.624 -0.440 0.053 1.00 0.00 O ATOM 0 HA2 GLY A 474 4.558 -3.481 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 474 3.880 -2.135 -0.808 1.00 0.00 H new ATOM 8 N SER A 475 6.542 -2.211 1.099 1.00 0.00 N ATOM 9 CA SER A 475 7.838 -1.573 1.389 1.00 0.00 C ATOM 10 C SER A 475 8.677 -1.420 0.109 1.00 0.00 C ATOM 11 O SER A 475 8.950 -2.412 -0.573 1.00 0.00 O ATOM 12 CB SER A 475 8.590 -2.393 2.445 1.00 0.00 C ATOM 13 OG SER A 475 9.723 -1.685 2.935 1.00 0.00 O ATOM 0 H SER A 475 6.471 -3.163 1.457 1.00 0.00 H new ATOM 0 HA SER A 475 7.658 -0.572 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 475 7.920 -2.629 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 475 8.909 -3.342 2.013 1.00 0.00 H new ATOM 0 HG SER A 475 10.183 -2.229 3.608 1.00 0.00 H new ATOM 19 N MET A 476 9.098 -0.191 -0.207 1.00 0.00 N ATOM 20 CA MET A 476 9.898 0.165 -1.392 1.00 0.00 C ATOM 21 C MET A 476 11.106 1.034 -0.995 1.00 0.00 C ATOM 22 O MET A 476 11.002 1.922 -0.143 1.00 0.00 O ATOM 23 CB MET A 476 8.997 0.877 -2.424 1.00 0.00 C ATOM 24 CG MET A 476 9.766 1.340 -3.670 1.00 0.00 C ATOM 25 SD MET A 476 8.733 2.043 -4.987 1.00 0.00 S ATOM 26 CE MET A 476 8.874 0.737 -6.234 1.00 0.00 C ATOM 0 H MET A 476 8.884 0.618 0.377 1.00 0.00 H new ATOM 0 HA MET A 476 10.294 -0.742 -1.848 1.00 0.00 H new ATOM 0 HB2 MET A 476 8.197 0.202 -2.727 1.00 0.00 H new ATOM 0 HB3 MET A 476 8.525 1.739 -1.953 1.00 0.00 H new ATOM 0 HG2 MET A 476 10.502 2.085 -3.369 1.00 0.00 H new ATOM 0 HG3 MET A 476 10.318 0.492 -4.075 1.00 0.00 H new ATOM 0 HE1 MET A 476 8.294 1.011 -7.115 1.00 0.00 H new ATOM 0 HE2 MET A 476 9.920 0.611 -6.513 1.00 0.00 H new ATOM 0 HE3 MET A 476 8.493 -0.199 -5.826 1.00 0.00 H new ATOM 36 N GLY A 477 12.254 0.772 -1.627 1.00 0.00 N ATOM 37 CA GLY A 477 13.545 1.414 -1.344 1.00 0.00 C ATOM 38 C GLY A 477 14.521 0.490 -0.599 1.00 0.00 C ATOM 39 O GLY A 477 14.197 -0.662 -0.285 1.00 0.00 O ATOM 0 H GLY A 477 12.314 0.083 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 477 13.999 1.734 -2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 477 13.376 2.312 -0.749 1.00 0.00 H new ATOM 43 N THR A 478 15.714 1.008 -0.292 1.00 0.00 N ATOM 44 CA THR A 478 16.792 0.270 0.410 1.00 0.00 C ATOM 45 C THR A 478 17.414 1.072 1.566 1.00 0.00 C ATOM 46 O THR A 478 17.771 0.486 2.589 1.00 0.00 O ATOM 47 CB THR A 478 17.900 -0.176 -0.565 1.00 0.00 C ATOM 48 OG1 THR A 478 18.465 0.944 -1.216 1.00 0.00 O ATOM 49 CG2 THR A 478 17.410 -1.113 -1.649 1.00 0.00 C ATOM 0 H THR A 478 15.971 1.967 -0.524 1.00 0.00 H new ATOM 0 HA THR A 478 16.314 -0.611 0.838 1.00 0.00 H new ATOM 0 HB THR A 478 18.629 -0.701 0.052 1.00 0.00 H new ATOM 0 HG1 THR A 478 19.168 0.645 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 478 18.242 -1.386 -2.298 1.00 0.00 H new ATOM 0 HG22 THR A 478 16.996 -2.012 -1.193 1.00 0.00 H new ATOM 0 HG23 THR A 478 16.638 -0.617 -2.238 1.00 0.00 H new ATOM 57 N ALA A 479 17.503 2.405 1.452 1.00 0.00 N ATOM 58 CA ALA A 479 17.928 3.317 2.518 1.00 0.00 C ATOM 59 C ALA A 479 16.739 3.706 3.426 1.00 0.00 C ATOM 60 O ALA A 479 15.965 4.614 3.105 1.00 0.00 O ATOM 61 CB ALA A 479 18.600 4.543 1.883 1.00 0.00 C ATOM 0 H ALA A 479 17.273 2.892 0.586 1.00 0.00 H new ATOM 0 HA ALA A 479 18.652 2.819 3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 479 18.921 5.229 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 479 19.466 4.224 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 479 17.891 5.048 1.227 1.00 0.00 H new ATOM 67 N GLY A 480 16.584 3.004 4.551 1.00 0.00 N ATOM 68 CA GLY A 480 15.556 3.276 5.562 1.00 0.00 C ATOM 69 C GLY A 480 15.337 2.123 6.550 1.00 0.00 C ATOM 70 O GLY A 480 15.790 0.995 6.319 1.00 0.00 O ATOM 0 H GLY A 480 17.182 2.213 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 480 15.835 4.171 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 480 14.614 3.495 5.059 1.00 0.00 H new ATOM 74 N LYS A 481 14.636 2.413 7.654 1.00 0.00 N ATOM 75 CA LYS A 481 14.246 1.460 8.716 1.00 0.00 C ATOM 76 C LYS A 481 13.189 2.066 9.642 1.00 0.00 C ATOM 77 O LYS A 481 12.907 3.266 9.593 1.00 0.00 O ATOM 78 CB LYS A 481 15.486 1.028 9.542 1.00 0.00 C ATOM 79 CG LYS A 481 15.519 -0.483 9.850 1.00 0.00 C ATOM 80 CD LYS A 481 15.905 -1.316 8.616 1.00 0.00 C ATOM 81 CE LYS A 481 16.073 -2.792 8.990 1.00 0.00 C ATOM 82 NZ LYS A 481 16.532 -3.594 7.825 1.00 0.00 N ATOM 0 H LYS A 481 14.308 3.360 7.845 1.00 0.00 H new ATOM 0 HA LYS A 481 13.817 0.582 8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.390 1.300 8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.500 1.583 10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 481 16.231 -0.674 10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.540 -0.801 10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.138 -1.215 7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 481 16.834 -0.936 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 481 16.792 -2.884 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 481 15.125 -3.187 9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 16.637 -4.589 8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 15.833 -3.524 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 17.448 -3.230 7.492 1.00 0.00 H new ATOM 96 N TRP A 482 12.633 1.224 10.507 1.00 0.00 N ATOM 97 CA TRP A 482 11.685 1.600 11.554 1.00 0.00 C ATOM 98 C TRP A 482 12.427 2.032 12.828 1.00 0.00 C ATOM 99 O TRP A 482 13.379 1.371 13.261 1.00 0.00 O ATOM 100 CB TRP A 482 10.756 0.411 11.851 1.00 0.00 C ATOM 101 CG TRP A 482 10.506 -0.534 10.711 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.782 -1.856 10.721 1.00 0.00 C ATOM 103 CD2 TRP A 482 10.043 -0.234 9.358 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.529 -2.395 9.475 1.00 0.00 N ATOM 105 CE2 TRP A 482 10.079 -1.437 8.590 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.639 0.944 8.691 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.726 -1.473 7.233 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.301 0.921 7.326 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.336 -0.282 6.595 1.00 0.00 C ATOM 0 H TRP A 482 12.837 0.225 10.499 1.00 0.00 H new ATOM 0 HA TRP A 482 11.090 2.445 11.209 1.00 0.00 H new ATOM 0 HB2 TRP A 482 11.179 -0.156 12.680 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.796 0.802 12.189 1.00 0.00 H new ATOM 0 HD1 TRP A 482 11.146 -2.408 11.575 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.659 -3.379 9.238 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.589 1.875 9.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.753 -2.403 6.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 9.011 1.837 6.833 1.00 0.00 H new ATOM 0 HH2 TRP A 482 9.065 -0.290 5.550 1.00 0.00 H new ATOM 120 N VAL A 483 11.955 3.103 13.465 1.00 0.00 N ATOM 121 CA VAL A 483 12.457 3.589 14.763 1.00 0.00 C ATOM 122 C VAL A 483 11.301 4.019 15.659 1.00 0.00 C ATOM 123 O VAL A 483 10.349 4.659 15.205 1.00 0.00 O ATOM 124 CB VAL A 483 13.452 4.758 14.629 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.800 4.299 14.068 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.920 5.901 13.756 1.00 0.00 C ATOM 0 H VAL A 483 11.197 3.674 13.091 1.00 0.00 H new ATOM 0 HA VAL A 483 12.991 2.751 15.211 1.00 0.00 H new ATOM 0 HB VAL A 483 13.586 5.132 15.644 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.472 5.154 13.990 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.237 3.554 14.734 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.653 3.861 13.081 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.666 6.694 13.700 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.712 5.527 12.753 1.00 0.00 H new ATOM 0 HG23 VAL A 483 12.003 6.296 14.193 1.00 0.00 H new ATOM 136 N LEU A 484 11.397 3.667 16.940 1.00 0.00 N ATOM 137 CA LEU A 484 10.475 4.114 17.988 1.00 0.00 C ATOM 138 C LEU A 484 10.904 5.495 18.509 1.00 0.00 C ATOM 139 O LEU A 484 12.097 5.784 18.632 1.00 0.00 O ATOM 140 CB LEU A 484 10.472 3.043 19.095 1.00 0.00 C ATOM 141 CG LEU A 484 9.737 3.416 20.394 1.00 0.00 C ATOM 142 CD1 LEU A 484 8.235 3.564 20.149 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.988 2.378 21.475 1.00 0.00 C ATOM 0 H LEU A 484 12.132 3.051 17.287 1.00 0.00 H new ATOM 0 HA LEU A 484 9.461 4.228 17.605 1.00 0.00 H new ATOM 0 HB2 LEU A 484 10.021 2.136 18.694 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.506 2.802 19.343 1.00 0.00 H new ATOM 0 HG LEU A 484 10.130 4.375 20.733 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.738 3.828 21.083 1.00 0.00 H new ATOM 0 HD12 LEU A 484 8.062 4.348 19.412 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.832 2.622 19.778 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.458 2.664 22.384 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.630 1.406 21.136 1.00 0.00 H new ATOM 0 HD23 LEU A 484 11.057 2.319 21.682 1.00 0.00 H new ATOM 155 N CYS A 485 9.924 6.321 18.866 1.00 0.00 N ATOM 156 CA CYS A 485 10.117 7.577 19.578 1.00 0.00 C ATOM 157 C CYS A 485 10.239 7.342 21.099 1.00 0.00 C ATOM 158 O CYS A 485 9.278 6.933 21.752 1.00 0.00 O ATOM 159 CB CYS A 485 8.963 8.525 19.221 1.00 0.00 C ATOM 160 SG CYS A 485 9.407 9.471 17.738 1.00 0.00 S ATOM 0 H CYS A 485 8.944 6.127 18.660 1.00 0.00 H new ATOM 0 HA CYS A 485 11.055 8.040 19.271 1.00 0.00 H new ATOM 0 HB2 CYS A 485 8.050 7.956 19.044 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.761 9.201 20.052 1.00 0.00 H new ATOM 0 HG CYS A 485 8.330 9.761 17.070 1.00 0.00 H new ATOM 166 N ASN A 486 11.414 7.626 21.668 1.00 0.00 N ATOM 167 CA ASN A 486 11.691 7.641 23.113 1.00 0.00 C ATOM 168 C ASN A 486 10.999 8.808 23.853 1.00 0.00 C ATOM 169 O ASN A 486 10.606 8.658 25.013 1.00 0.00 O ATOM 170 CB ASN A 486 13.209 7.778 23.326 1.00 0.00 C ATOM 171 CG ASN A 486 13.994 6.571 22.859 1.00 0.00 C ATOM 172 OD1 ASN A 486 15.050 6.778 22.108 1.00 0.00 O flip ATOM 173 ND2 ASN A 486 13.680 5.432 23.171 1.00 0.00 N flip ATOM 0 H ASN A 486 12.236 7.863 21.112 1.00 0.00 H new ATOM 0 HA ASN A 486 11.299 6.709 23.521 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.565 8.661 22.795 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.406 7.943 24.385 1.00 0.00 H new ATOM 0 HD21 ASN A 486 12.859 5.271 23.755 1.00 0.00 H new ATOM 0 HD22 ASN A 486 14.239 4.642 22.848 1.00 0.00 H new ATOM 180 N TYR A 487 10.851 9.962 23.184 1.00 0.00 N ATOM 181 CA TYR A 487 10.318 11.219 23.738 1.00 0.00 C ATOM 182 C TYR A 487 9.403 11.921 22.715 1.00 0.00 C ATOM 183 O TYR A 487 9.464 11.634 21.517 1.00 0.00 O ATOM 184 CB TYR A 487 11.462 12.166 24.148 1.00 0.00 C ATOM 185 CG TYR A 487 12.542 11.569 25.040 1.00 0.00 C ATOM 186 CD1 TYR A 487 12.357 11.496 26.435 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.742 11.098 24.471 1.00 0.00 C ATOM 188 CE1 TYR A 487 13.367 10.946 27.251 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.752 10.544 25.281 1.00 0.00 C ATOM 190 CZ TYR A 487 14.564 10.464 26.677 1.00 0.00 C ATOM 191 OH TYR A 487 15.535 9.929 27.466 1.00 0.00 O ATOM 0 H TYR A 487 11.110 10.050 22.201 1.00 0.00 H new ATOM 0 HA TYR A 487 9.733 10.971 24.624 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.936 12.543 23.242 1.00 0.00 H new ATOM 0 HB3 TYR A 487 11.029 13.024 24.662 1.00 0.00 H new ATOM 0 HD1 TYR A 487 11.443 11.861 26.879 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.889 11.163 23.403 1.00 0.00 H new ATOM 0 HE1 TYR A 487 13.224 10.893 28.320 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.667 10.182 24.835 1.00 0.00 H new ATOM 0 HH TYR A 487 16.290 9.646 26.909 1.00 0.00 H new ATOM 201 N ASP A 488 8.556 12.841 23.178 1.00 0.00 N ATOM 202 CA ASP A 488 7.700 13.672 22.320 1.00 0.00 C ATOM 203 C ASP A 488 8.416 14.941 21.804 1.00 0.00 C ATOM 204 O ASP A 488 9.398 15.411 22.387 1.00 0.00 O ATOM 205 CB ASP A 488 6.408 14.035 23.065 1.00 0.00 C ATOM 206 CG ASP A 488 6.639 14.995 24.244 1.00 0.00 C ATOM 207 OD1 ASP A 488 6.993 14.522 25.351 1.00 0.00 O ATOM 208 OD2 ASP A 488 6.443 16.222 24.076 1.00 0.00 O ATOM 0 H ASP A 488 8.441 13.035 24.173 1.00 0.00 H new ATOM 0 HA ASP A 488 7.455 13.081 21.437 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.708 14.491 22.365 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.940 13.122 23.434 1.00 0.00 H new ATOM 213 N PHE A 489 7.901 15.504 20.706 1.00 0.00 N ATOM 214 CA PHE A 489 8.426 16.684 20.010 1.00 0.00 C ATOM 215 C PHE A 489 7.319 17.391 19.188 1.00 0.00 C ATOM 216 O PHE A 489 6.283 16.797 18.876 1.00 0.00 O ATOM 217 CB PHE A 489 9.591 16.218 19.115 1.00 0.00 C ATOM 218 CG PHE A 489 10.308 17.320 18.361 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.967 18.351 19.061 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.287 17.331 16.954 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.573 19.406 18.354 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.912 18.373 16.249 1.00 0.00 C ATOM 223 CZ PHE A 489 11.544 19.415 16.949 1.00 0.00 C ATOM 0 H PHE A 489 7.065 15.131 20.256 1.00 0.00 H new ATOM 0 HA PHE A 489 8.784 17.420 20.730 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.317 15.693 19.736 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.207 15.497 18.394 1.00 0.00 H new ATOM 0 HD1 PHE A 489 11.007 18.331 20.140 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.790 16.538 16.416 1.00 0.00 H new ATOM 0 HE1 PHE A 489 12.060 20.207 18.890 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.907 18.373 15.169 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.009 20.225 16.406 1.00 0.00 H new ATOM 233 N GLN A 490 7.522 18.657 18.813 1.00 0.00 N ATOM 234 CA GLN A 490 6.544 19.485 18.084 1.00 0.00 C ATOM 235 C GLN A 490 7.207 20.232 16.923 1.00 0.00 C ATOM 236 O GLN A 490 8.329 20.719 17.062 1.00 0.00 O ATOM 237 CB GLN A 490 5.898 20.504 19.036 1.00 0.00 C ATOM 238 CG GLN A 490 4.952 19.854 20.052 1.00 0.00 C ATOM 239 CD GLN A 490 4.358 20.897 20.996 1.00 0.00 C ATOM 240 OE1 GLN A 490 4.966 21.306 21.979 1.00 0.00 O ATOM 241 NE2 GLN A 490 3.159 21.383 20.740 1.00 0.00 N ATOM 0 H GLN A 490 8.392 19.152 19.011 1.00 0.00 H new ATOM 0 HA GLN A 490 5.780 18.819 17.682 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.681 21.043 19.569 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.346 21.240 18.452 1.00 0.00 H new ATOM 0 HG2 GLN A 490 4.150 19.336 19.527 1.00 0.00 H new ATOM 0 HG3 GLN A 490 5.493 19.103 20.628 1.00 0.00 H new ATOM 0 HE21 GLN A 490 2.639 21.054 19.927 1.00 0.00 H new ATOM 0 HE22 GLN A 490 2.752 22.087 21.355 1.00 0.00 H new ATOM 250 N ALA A 491 6.495 20.371 15.801 1.00 0.00 N ATOM 251 CA ALA A 491 7.018 21.047 14.616 1.00 0.00 C ATOM 252 C ALA A 491 6.941 22.574 14.775 1.00 0.00 C ATOM 253 O ALA A 491 5.891 23.192 14.566 1.00 0.00 O ATOM 254 CB ALA A 491 6.302 20.567 13.351 1.00 0.00 C ATOM 0 H ALA A 491 5.544 20.019 15.691 1.00 0.00 H new ATOM 0 HA ALA A 491 8.071 20.786 14.510 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.710 21.085 12.483 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.449 19.493 13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.236 20.780 13.433 1.00 0.00 H new ATOM 260 N ARG A 492 8.062 23.194 15.147 1.00 0.00 N ATOM 261 CA ARG A 492 8.213 24.657 15.235 1.00 0.00 C ATOM 262 C ARG A 492 8.374 25.314 13.856 1.00 0.00 C ATOM 263 O ARG A 492 8.207 26.529 13.731 1.00 0.00 O ATOM 264 CB ARG A 492 9.416 25.001 16.130 1.00 0.00 C ATOM 265 CG ARG A 492 9.325 24.404 17.550 1.00 0.00 C ATOM 266 CD ARG A 492 10.432 23.382 17.848 1.00 0.00 C ATOM 267 NE ARG A 492 10.651 23.204 19.300 1.00 0.00 N ATOM 268 CZ ARG A 492 11.425 23.946 20.078 1.00 0.00 C ATOM 269 NH1 ARG A 492 12.059 25.001 19.634 1.00 0.00 N ATOM 270 NH2 ARG A 492 11.582 23.642 21.336 1.00 0.00 N ATOM 0 H ARG A 492 8.910 22.688 15.402 1.00 0.00 H new ATOM 0 HA ARG A 492 7.298 25.055 15.673 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.327 24.641 15.652 1.00 0.00 H new ATOM 0 HB3 ARG A 492 9.502 26.085 16.206 1.00 0.00 H new ATOM 0 HG2 ARG A 492 9.378 25.211 18.281 1.00 0.00 H new ATOM 0 HG3 ARG A 492 8.354 23.925 17.674 1.00 0.00 H new ATOM 0 HD2 ARG A 492 10.169 22.423 17.402 1.00 0.00 H new ATOM 0 HD3 ARG A 492 11.361 23.708 17.379 1.00 0.00 H new ATOM 0 HE ARG A 492 10.156 22.432 19.747 1.00 0.00 H new ATOM 0 HH11 ARG A 492 11.966 25.278 18.657 1.00 0.00 H new ATOM 0 HH12 ARG A 492 12.646 25.547 20.265 1.00 0.00 H new ATOM 0 HH21 ARG A 492 11.107 22.828 21.727 1.00 0.00 H new ATOM 0 HH22 ARG A 492 12.180 24.218 21.929 1.00 0.00 H new ATOM 284 N ASN A 493 8.696 24.521 12.828 1.00 0.00 N ATOM 285 CA ASN A 493 8.989 24.979 11.459 1.00 0.00 C ATOM 286 C ASN A 493 8.523 23.976 10.379 1.00 0.00 C ATOM 287 O ASN A 493 8.256 22.810 10.672 1.00 0.00 O ATOM 288 CB ASN A 493 10.511 25.212 11.342 1.00 0.00 C ATOM 289 CG ASN A 493 10.988 26.463 12.060 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.792 27.576 11.585 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.666 26.329 13.174 1.00 0.00 N ATOM 0 H ASN A 493 8.763 23.508 12.926 1.00 0.00 H new ATOM 0 HA ASN A 493 8.436 25.901 11.282 1.00 0.00 H new ATOM 0 HB2 ASN A 493 11.036 24.347 11.748 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.780 25.282 10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 493 12.033 27.153 13.650 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.826 25.401 13.565 1.00 0.00 H new ATOM 298 N SER A 494 8.481 24.418 9.114 1.00 0.00 N ATOM 299 CA SER A 494 8.111 23.580 7.954 1.00 0.00 C ATOM 300 C SER A 494 9.128 22.478 7.606 1.00 0.00 C ATOM 301 O SER A 494 8.776 21.515 6.920 1.00 0.00 O ATOM 302 CB SER A 494 7.885 24.450 6.713 1.00 0.00 C ATOM 303 OG SER A 494 6.812 25.363 6.925 1.00 0.00 O ATOM 0 H SER A 494 8.705 25.380 8.860 1.00 0.00 H new ATOM 0 HA SER A 494 7.193 23.076 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.796 25.000 6.478 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.665 23.816 5.854 1.00 0.00 H new ATOM 0 HG SER A 494 6.685 25.910 6.122 1.00 0.00 H new ATOM 309 N SER A 495 10.375 22.585 8.078 1.00 0.00 N ATOM 310 CA SER A 495 11.426 21.565 7.916 1.00 0.00 C ATOM 311 C SER A 495 11.271 20.352 8.837 1.00 0.00 C ATOM 312 O SER A 495 11.837 19.294 8.573 1.00 0.00 O ATOM 313 CB SER A 495 12.797 22.206 8.155 1.00 0.00 C ATOM 314 OG SER A 495 12.815 22.885 9.402 1.00 0.00 O ATOM 0 H SER A 495 10.693 23.403 8.597 1.00 0.00 H new ATOM 0 HA SER A 495 11.332 21.191 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.572 21.439 8.140 1.00 0.00 H new ATOM 0 HB3 SER A 495 13.024 22.905 7.350 1.00 0.00 H new ATOM 0 HG SER A 495 13.697 23.288 9.542 1.00 0.00 H new ATOM 320 N GLU A 496 10.497 20.473 9.907 1.00 0.00 N ATOM 321 CA GLU A 496 10.388 19.501 10.997 1.00 0.00 C ATOM 322 C GLU A 496 8.954 18.963 11.138 1.00 0.00 C ATOM 323 O GLU A 496 8.057 19.299 10.358 1.00 0.00 O ATOM 324 CB GLU A 496 10.928 20.114 12.304 1.00 0.00 C ATOM 325 CG GLU A 496 10.396 21.513 12.596 1.00 0.00 C ATOM 326 CD GLU A 496 11.109 22.131 13.808 1.00 0.00 C ATOM 327 OE1 GLU A 496 12.149 22.809 13.639 1.00 0.00 O ATOM 328 OE2 GLU A 496 10.585 21.975 14.933 1.00 0.00 O ATOM 0 H GLU A 496 9.899 21.287 10.049 1.00 0.00 H new ATOM 0 HA GLU A 496 11.006 18.635 10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.671 19.457 13.135 1.00 0.00 H new ATOM 0 HB3 GLU A 496 12.016 20.153 12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.538 22.150 11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.324 21.466 12.785 1.00 0.00 H new ATOM 335 N LEU A 497 8.751 18.086 12.123 1.00 0.00 N ATOM 336 CA LEU A 497 7.513 17.335 12.344 1.00 0.00 C ATOM 337 C LEU A 497 7.162 17.206 13.834 1.00 0.00 C ATOM 338 O LEU A 497 8.000 17.425 14.712 1.00 0.00 O ATOM 339 CB LEU A 497 7.648 15.932 11.717 1.00 0.00 C ATOM 340 CG LEU A 497 7.631 15.875 10.183 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.901 14.431 9.765 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.298 16.322 9.575 1.00 0.00 C ATOM 0 H LEU A 497 9.470 17.871 12.814 1.00 0.00 H new ATOM 0 HA LEU A 497 6.703 17.888 11.869 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.580 15.488 12.067 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.837 15.308 12.093 1.00 0.00 H new ATOM 0 HG LEU A 497 8.393 16.563 9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.895 14.360 8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.874 14.119 10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 497 7.127 13.783 10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.354 16.258 8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.498 15.675 9.936 1.00 0.00 H new ATOM 0 HD23 LEU A 497 6.092 17.352 9.867 1.00 0.00 H new ATOM 354 N SER A 498 5.906 16.847 14.101 1.00 0.00 N ATOM 355 CA SER A 498 5.318 16.715 15.441 1.00 0.00 C ATOM 356 C SER A 498 5.024 15.249 15.741 1.00 0.00 C ATOM 357 O SER A 498 4.087 14.674 15.183 1.00 0.00 O ATOM 358 CB SER A 498 4.043 17.561 15.560 1.00 0.00 C ATOM 359 OG SER A 498 3.098 17.265 14.523 1.00 0.00 O ATOM 0 H SER A 498 5.239 16.630 13.360 1.00 0.00 H new ATOM 0 HA SER A 498 6.035 17.083 16.175 1.00 0.00 H new ATOM 0 HB2 SER A 498 3.581 17.384 16.531 1.00 0.00 H new ATOM 0 HB3 SER A 498 4.305 18.618 15.519 1.00 0.00 H new ATOM 0 HG SER A 498 3.082 16.299 14.362 1.00 0.00 H new ATOM 365 N VAL A 499 5.832 14.647 16.617 1.00 0.00 N ATOM 366 CA VAL A 499 5.825 13.209 16.938 1.00 0.00 C ATOM 367 C VAL A 499 5.749 12.998 18.449 1.00 0.00 C ATOM 368 O VAL A 499 6.081 13.888 19.233 1.00 0.00 O ATOM 369 CB VAL A 499 7.059 12.476 16.349 1.00 0.00 C ATOM 370 CG1 VAL A 499 7.146 12.629 14.826 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.398 12.930 16.948 1.00 0.00 C ATOM 0 H VAL A 499 6.537 15.163 17.144 1.00 0.00 H new ATOM 0 HA VAL A 499 4.938 12.777 16.475 1.00 0.00 H new ATOM 0 HB VAL A 499 6.899 11.432 16.618 1.00 0.00 H new ATOM 0 HG11 VAL A 499 8.025 12.100 14.457 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.251 12.210 14.367 1.00 0.00 H new ATOM 0 HG13 VAL A 499 7.225 13.686 14.570 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.212 12.372 16.485 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.537 13.995 16.762 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.397 12.746 18.022 1.00 0.00 H new ATOM 381 N LYS A 500 5.327 11.811 18.881 1.00 0.00 N ATOM 382 CA LYS A 500 5.077 11.504 20.295 1.00 0.00 C ATOM 383 C LYS A 500 5.833 10.244 20.682 1.00 0.00 C ATOM 384 O LYS A 500 6.038 9.351 19.859 1.00 0.00 O ATOM 385 CB LYS A 500 3.564 11.366 20.568 1.00 0.00 C ATOM 386 CG LYS A 500 2.748 12.530 19.980 1.00 0.00 C ATOM 387 CD LYS A 500 1.268 12.461 20.372 1.00 0.00 C ATOM 388 CE LYS A 500 0.434 13.366 19.454 1.00 0.00 C ATOM 389 NZ LYS A 500 0.136 12.715 18.150 1.00 0.00 N ATOM 0 H LYS A 500 5.146 11.025 18.256 1.00 0.00 H new ATOM 0 HA LYS A 500 5.439 12.327 20.911 1.00 0.00 H new ATOM 0 HB2 LYS A 500 3.207 10.427 20.146 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.396 11.316 21.644 1.00 0.00 H new ATOM 0 HG2 LYS A 500 3.169 13.475 20.323 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.834 12.519 18.893 1.00 0.00 H new ATOM 0 HD2 LYS A 500 0.913 11.433 20.301 1.00 0.00 H new ATOM 0 HD3 LYS A 500 1.144 12.770 21.410 1.00 0.00 H new ATOM 0 HE2 LYS A 500 -0.501 13.625 19.952 1.00 0.00 H new ATOM 0 HE3 LYS A 500 0.971 14.298 19.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -0.429 13.360 17.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 1.027 12.491 17.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 -0.399 11.838 18.314 1.00 0.00 H new ATOM 403 N GLN A 501 6.240 10.166 21.943 1.00 0.00 N ATOM 404 CA GLN A 501 6.798 8.936 22.498 1.00 0.00 C ATOM 405 C GLN A 501 5.841 7.749 22.301 1.00 0.00 C ATOM 406 O GLN A 501 4.617 7.915 22.289 1.00 0.00 O ATOM 407 CB GLN A 501 7.208 9.114 23.966 1.00 0.00 C ATOM 408 CG GLN A 501 6.093 9.674 24.869 1.00 0.00 C ATOM 409 CD GLN A 501 6.398 9.502 26.359 1.00 0.00 C ATOM 410 OE1 GLN A 501 6.671 8.410 26.847 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.341 10.554 27.149 1.00 0.00 N ATOM 0 H GLN A 501 6.194 10.942 22.604 1.00 0.00 H new ATOM 0 HA GLN A 501 7.708 8.706 21.944 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.531 8.151 24.361 1.00 0.00 H new ATOM 0 HB3 GLN A 501 8.068 9.782 24.013 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.952 10.733 24.651 1.00 0.00 H new ATOM 0 HG3 GLN A 501 5.154 9.172 24.634 1.00 0.00 H new ATOM 0 HE21 GLN A 501 6.116 11.471 26.762 1.00 0.00 H new ATOM 0 HE22 GLN A 501 6.522 10.452 28.148 1.00 0.00 H new ATOM 420 N ARG A 502 6.424 6.550 22.167 1.00 0.00 N ATOM 421 CA ARG A 502 5.726 5.272 21.937 1.00 0.00 C ATOM 422 C ARG A 502 5.110 5.131 20.526 1.00 0.00 C ATOM 423 O ARG A 502 4.300 4.228 20.301 1.00 0.00 O ATOM 424 CB ARG A 502 4.704 4.967 23.058 1.00 0.00 C ATOM 425 CG ARG A 502 5.147 5.270 24.505 1.00 0.00 C ATOM 426 CD ARG A 502 6.366 4.464 24.968 1.00 0.00 C ATOM 427 NE ARG A 502 6.060 3.021 25.042 1.00 0.00 N ATOM 428 CZ ARG A 502 6.926 2.028 25.136 1.00 0.00 C ATOM 429 NH1 ARG A 502 8.213 2.229 25.200 1.00 0.00 N ATOM 430 NH2 ARG A 502 6.504 0.796 25.171 1.00 0.00 N ATOM 0 H ARG A 502 7.436 6.436 22.218 1.00 0.00 H new ATOM 0 HA ARG A 502 6.501 4.506 21.980 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.797 5.536 22.854 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.439 3.911 22.998 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.374 6.333 24.589 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.314 5.068 25.178 1.00 0.00 H new ATOM 0 HD2 ARG A 502 7.195 4.627 24.279 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.689 4.820 25.946 1.00 0.00 H new ATOM 0 HE ARG A 502 5.073 2.763 25.018 1.00 0.00 H new ATOM 0 HH11 ARG A 502 8.582 3.179 25.178 1.00 0.00 H new ATOM 0 HH12 ARG A 502 8.850 1.436 25.272 1.00 0.00 H new ATOM 0 HH21 ARG A 502 5.504 0.598 25.126 1.00 0.00 H new ATOM 0 HH22 ARG A 502 7.173 0.030 25.244 1.00 0.00 H new ATOM 444 N ASP A 503 5.514 5.974 19.568 1.00 0.00 N ATOM 445 CA ASP A 503 5.135 5.874 18.145 1.00 0.00 C ATOM 446 C ASP A 503 6.310 5.359 17.302 1.00 0.00 C ATOM 447 O ASP A 503 7.469 5.569 17.665 1.00 0.00 O ATOM 448 CB ASP A 503 4.694 7.242 17.585 1.00 0.00 C ATOM 449 CG ASP A 503 3.324 7.744 18.078 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.499 6.938 18.590 1.00 0.00 O ATOM 451 OD2 ASP A 503 3.025 8.940 17.879 1.00 0.00 O ATOM 0 H ASP A 503 6.128 6.765 19.761 1.00 0.00 H new ATOM 0 HA ASP A 503 4.302 5.174 18.086 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.449 7.983 17.845 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.670 7.180 16.497 1.00 0.00 H new ATOM 456 N VAL A 504 6.023 4.740 16.152 1.00 0.00 N ATOM 457 CA VAL A 504 7.029 4.231 15.200 1.00 0.00 C ATOM 458 C VAL A 504 6.920 4.944 13.845 1.00 0.00 C ATOM 459 O VAL A 504 5.818 5.226 13.365 1.00 0.00 O ATOM 460 CB VAL A 504 6.964 2.691 15.085 1.00 0.00 C ATOM 461 CG1 VAL A 504 5.621 2.165 14.559 1.00 0.00 C ATOM 462 CG2 VAL A 504 8.081 2.120 14.201 1.00 0.00 C ATOM 0 H VAL A 504 5.065 4.573 15.846 1.00 0.00 H new ATOM 0 HA VAL A 504 8.020 4.464 15.589 1.00 0.00 H new ATOM 0 HB VAL A 504 7.092 2.348 16.112 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.652 1.077 14.506 1.00 0.00 H new ATOM 0 HG12 VAL A 504 4.821 2.473 15.232 1.00 0.00 H new ATOM 0 HG13 VAL A 504 5.435 2.571 13.565 1.00 0.00 H new ATOM 0 HG21 VAL A 504 7.989 1.035 14.154 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.998 2.535 13.197 1.00 0.00 H new ATOM 0 HG23 VAL A 504 9.050 2.384 14.624 1.00 0.00 H new ATOM 472 N LEU A 505 8.070 5.263 13.240 1.00 0.00 N ATOM 473 CA LEU A 505 8.190 6.094 12.031 1.00 0.00 C ATOM 474 C LEU A 505 9.182 5.464 11.038 1.00 0.00 C ATOM 475 O LEU A 505 10.180 4.856 11.437 1.00 0.00 O ATOM 476 CB LEU A 505 8.630 7.524 12.415 1.00 0.00 C ATOM 477 CG LEU A 505 7.779 8.216 13.505 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.525 9.435 14.040 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.408 8.694 13.011 1.00 0.00 C ATOM 0 H LEU A 505 8.973 4.941 13.588 1.00 0.00 H new ATOM 0 HA LEU A 505 7.217 6.149 11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.664 7.487 12.756 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.612 8.143 11.518 1.00 0.00 H new ATOM 0 HG LEU A 505 7.614 7.462 14.274 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.924 9.921 14.808 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.476 9.120 14.469 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.709 10.136 13.225 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.871 9.169 13.832 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.543 9.412 12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.835 7.841 12.647 1.00 0.00 H new ATOM 491 N GLU A 506 8.910 5.617 9.741 1.00 0.00 N ATOM 492 CA GLU A 506 9.798 5.187 8.654 1.00 0.00 C ATOM 493 C GLU A 506 10.868 6.256 8.390 1.00 0.00 C ATOM 494 O GLU A 506 10.543 7.362 7.956 1.00 0.00 O ATOM 495 CB GLU A 506 8.962 4.932 7.388 1.00 0.00 C ATOM 496 CG GLU A 506 9.822 4.576 6.164 1.00 0.00 C ATOM 497 CD GLU A 506 8.964 4.178 4.947 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.983 4.891 4.613 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.273 3.149 4.295 1.00 0.00 O ATOM 0 H GLU A 506 8.050 6.052 9.408 1.00 0.00 H new ATOM 0 HA GLU A 506 10.304 4.264 8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.259 4.121 7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.371 5.820 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.449 5.428 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.492 3.755 6.419 1.00 0.00 H new ATOM 506 N VAL A 507 12.139 5.930 8.629 1.00 0.00 N ATOM 507 CA VAL A 507 13.291 6.767 8.251 1.00 0.00 C ATOM 508 C VAL A 507 13.584 6.604 6.752 1.00 0.00 C ATOM 509 O VAL A 507 13.398 5.532 6.171 1.00 0.00 O ATOM 510 CB VAL A 507 14.549 6.389 9.071 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.762 7.259 8.734 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.311 6.439 10.580 1.00 0.00 C ATOM 0 H VAL A 507 12.407 5.065 9.098 1.00 0.00 H new ATOM 0 HA VAL A 507 13.041 7.806 8.466 1.00 0.00 H new ATOM 0 HB VAL A 507 14.763 5.360 8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.613 6.947 9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 507 16.008 7.147 7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.530 8.303 8.944 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.228 6.165 11.102 1.00 0.00 H new ATOM 0 HG22 VAL A 507 14.017 7.448 10.869 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.518 5.740 10.847 1.00 0.00 H new ATOM 522 N LEU A 508 14.097 7.677 6.159 1.00 0.00 N ATOM 523 CA LEU A 508 14.423 7.883 4.750 1.00 0.00 C ATOM 524 C LEU A 508 15.887 8.352 4.561 1.00 0.00 C ATOM 525 O LEU A 508 16.449 8.172 3.478 1.00 0.00 O ATOM 526 CB LEU A 508 13.473 8.955 4.168 1.00 0.00 C ATOM 527 CG LEU A 508 11.957 8.791 4.418 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.219 10.035 3.908 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.387 7.542 3.745 1.00 0.00 C ATOM 0 H LEU A 508 14.317 8.508 6.708 1.00 0.00 H new ATOM 0 HA LEU A 508 14.303 6.932 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.775 9.923 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.632 8.993 3.090 1.00 0.00 H new ATOM 0 HG LEU A 508 11.811 8.676 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.149 9.921 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.582 10.916 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.401 10.153 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.319 7.473 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.545 7.604 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.890 6.657 4.135 1.00 0.00 H new ATOM 541 N ASP A 509 16.515 8.940 5.592 1.00 0.00 N ATOM 542 CA ASP A 509 17.924 9.378 5.580 1.00 0.00 C ATOM 543 C ASP A 509 18.523 9.357 6.994 1.00 0.00 C ATOM 544 O ASP A 509 17.888 9.831 7.933 1.00 0.00 O ATOM 545 CB ASP A 509 18.025 10.798 5.002 1.00 0.00 C ATOM 546 CG ASP A 509 19.493 11.214 4.789 1.00 0.00 C ATOM 547 OD1 ASP A 509 20.036 10.950 3.693 1.00 0.00 O ATOM 548 OD2 ASP A 509 20.107 11.793 5.711 1.00 0.00 O ATOM 0 H ASP A 509 16.048 9.129 6.479 1.00 0.00 H new ATOM 0 HA ASP A 509 18.488 8.685 4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.490 10.845 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.540 11.503 5.677 1.00 0.00 H new ATOM 553 N ASP A 510 19.738 8.819 7.140 1.00 0.00 N ATOM 554 CA ASP A 510 20.382 8.522 8.431 1.00 0.00 C ATOM 555 C ASP A 510 21.903 8.808 8.446 1.00 0.00 C ATOM 556 O ASP A 510 22.703 8.068 9.030 1.00 0.00 O ATOM 557 CB ASP A 510 20.016 7.094 8.876 1.00 0.00 C ATOM 558 CG ASP A 510 20.214 6.010 7.797 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.239 6.018 7.071 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.339 5.119 7.668 1.00 0.00 O ATOM 0 H ASP A 510 20.321 8.569 6.341 1.00 0.00 H new ATOM 0 HA ASP A 510 19.987 9.216 9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.618 6.834 9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.974 7.084 9.195 1.00 0.00 H new ATOM 565 N SER A 511 22.309 9.914 7.811 1.00 0.00 N ATOM 566 CA SER A 511 23.720 10.328 7.642 1.00 0.00 C ATOM 567 C SER A 511 24.082 11.616 8.407 1.00 0.00 C ATOM 568 O SER A 511 25.180 12.157 8.234 1.00 0.00 O ATOM 569 CB SER A 511 24.021 10.477 6.145 1.00 0.00 C ATOM 570 OG SER A 511 23.930 9.219 5.490 1.00 0.00 O ATOM 0 H SER A 511 21.652 10.568 7.386 1.00 0.00 H new ATOM 0 HA SER A 511 24.344 9.548 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.319 11.179 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 511 25.019 10.893 6.009 1.00 0.00 H new ATOM 0 HG SER A 511 24.123 9.332 4.536 1.00 0.00 H new ATOM 576 N ARG A 512 23.172 12.108 9.263 1.00 0.00 N ATOM 577 CA ARG A 512 23.293 13.342 10.069 1.00 0.00 C ATOM 578 C ARG A 512 22.647 13.197 11.461 1.00 0.00 C ATOM 579 O ARG A 512 22.030 12.175 11.767 1.00 0.00 O ATOM 580 CB ARG A 512 22.664 14.519 9.288 1.00 0.00 C ATOM 581 CG ARG A 512 23.484 14.953 8.062 1.00 0.00 C ATOM 582 CD ARG A 512 23.164 16.405 7.674 1.00 0.00 C ATOM 583 NE ARG A 512 23.872 16.802 6.436 1.00 0.00 N ATOM 584 CZ ARG A 512 23.434 16.734 5.189 1.00 0.00 C ATOM 585 NH1 ARG A 512 22.270 16.240 4.869 1.00 0.00 N ATOM 586 NH2 ARG A 512 24.171 17.174 4.208 1.00 0.00 N ATOM 0 H ARG A 512 22.283 11.633 9.423 1.00 0.00 H new ATOM 0 HA ARG A 512 24.352 13.537 10.240 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.663 14.235 8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.551 15.370 9.959 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.548 14.856 8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.268 14.292 7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.089 16.517 7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 512 23.449 17.072 8.488 1.00 0.00 H new ATOM 0 HE ARG A 512 24.814 17.174 6.559 1.00 0.00 H new ATOM 0 HH11 ARG A 512 21.650 15.883 5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 512 21.980 16.211 3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 512 25.090 17.573 4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 512 23.829 17.119 3.249 1.00 0.00 H new ATOM 600 N LYS A 513 22.766 14.245 12.290 1.00 0.00 N ATOM 601 CA LYS A 513 22.173 14.377 13.644 1.00 0.00 C ATOM 602 C LYS A 513 20.637 14.324 13.672 1.00 0.00 C ATOM 603 O LYS A 513 20.044 14.078 14.716 1.00 0.00 O ATOM 604 CB LYS A 513 22.620 15.715 14.265 1.00 0.00 C ATOM 605 CG LYS A 513 24.136 15.889 14.422 1.00 0.00 C ATOM 606 CD LYS A 513 24.745 14.972 15.494 1.00 0.00 C ATOM 607 CE LYS A 513 26.186 15.387 15.827 1.00 0.00 C ATOM 608 NZ LYS A 513 27.127 15.145 14.696 1.00 0.00 N ATOM 0 H LYS A 513 23.305 15.070 12.027 1.00 0.00 H new ATOM 0 HA LYS A 513 22.530 13.517 14.211 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.239 16.529 13.648 1.00 0.00 H new ATOM 0 HB3 LYS A 513 22.156 15.815 15.246 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.619 15.689 13.465 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.351 16.927 14.677 1.00 0.00 H new ATOM 0 HD2 LYS A 513 24.135 15.009 16.397 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.733 13.940 15.143 1.00 0.00 H new ATOM 0 HE2 LYS A 513 26.204 16.445 16.090 1.00 0.00 H new ATOM 0 HE3 LYS A 513 26.526 14.835 16.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 28.085 15.442 14.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 27.133 14.132 14.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.821 15.692 13.866 1.00 0.00 H new ATOM 622 N TRP A 514 19.979 14.594 12.549 1.00 0.00 N ATOM 623 CA TRP A 514 18.519 14.571 12.431 1.00 0.00 C ATOM 624 C TRP A 514 18.139 13.761 11.196 1.00 0.00 C ATOM 625 O TRP A 514 18.626 14.032 10.094 1.00 0.00 O ATOM 626 CB TRP A 514 17.961 15.992 12.310 1.00 0.00 C ATOM 627 CG TRP A 514 17.894 16.844 13.544 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.908 17.140 14.393 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.745 17.607 14.031 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.479 18.052 15.332 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.153 18.374 15.159 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.401 17.753 13.615 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.281 19.241 15.826 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.500 18.580 14.312 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.943 19.325 15.423 1.00 0.00 C ATOM 0 H TRP A 514 20.450 14.840 11.678 1.00 0.00 H new ATOM 0 HA TRP A 514 18.095 14.115 13.325 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.564 16.523 11.573 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.952 15.918 11.903 1.00 0.00 H new ATOM 0 HD1 TRP A 514 19.903 16.723 14.341 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.072 18.441 16.065 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.058 17.217 12.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.639 19.843 16.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.469 18.643 13.995 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.253 19.958 15.961 1.00 0.00 H new ATOM 646 N TRP A 515 17.293 12.751 11.388 1.00 0.00 N ATOM 647 CA TRP A 515 16.907 11.836 10.315 1.00 0.00 C ATOM 648 C TRP A 515 15.630 12.316 9.623 1.00 0.00 C ATOM 649 O TRP A 515 14.707 12.826 10.268 1.00 0.00 O ATOM 650 CB TRP A 515 16.822 10.393 10.840 1.00 0.00 C ATOM 651 CG TRP A 515 18.101 9.812 11.391 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.319 10.403 11.440 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.313 8.472 11.920 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.250 9.535 11.972 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.685 8.317 12.273 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.475 7.357 12.101 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.197 7.114 12.783 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.971 6.144 12.607 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.332 6.019 12.954 1.00 0.00 C ATOM 0 H TRP A 515 16.857 12.544 12.287 1.00 0.00 H new ATOM 0 HA TRP A 515 17.680 11.834 9.546 1.00 0.00 H new ATOM 0 HB2 TRP A 515 16.063 10.356 11.622 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.475 9.752 10.029 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.531 11.409 11.110 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.232 9.767 12.123 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.429 7.435 11.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.242 7.030 13.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.306 5.302 12.731 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.708 5.087 13.349 1.00 0.00 H new ATOM 670 N LYS A 516 15.580 12.163 8.294 1.00 0.00 N ATOM 671 CA LYS A 516 14.383 12.395 7.497 1.00 0.00 C ATOM 672 C LYS A 516 13.487 11.197 7.721 1.00 0.00 C ATOM 673 O LYS A 516 13.869 10.094 7.351 1.00 0.00 O ATOM 674 CB LYS A 516 14.734 12.606 6.013 1.00 0.00 C ATOM 675 CG LYS A 516 13.502 13.026 5.195 1.00 0.00 C ATOM 676 CD LYS A 516 13.876 13.445 3.766 1.00 0.00 C ATOM 677 CE LYS A 516 12.613 13.858 2.992 1.00 0.00 C ATOM 678 NZ LYS A 516 12.949 14.467 1.676 1.00 0.00 N ATOM 0 H LYS A 516 16.385 11.870 7.740 1.00 0.00 H new ATOM 0 HA LYS A 516 13.870 13.308 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.507 13.370 5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.148 11.685 5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.793 12.199 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 516 12.999 13.854 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.583 14.274 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.373 12.620 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.979 12.985 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.038 14.569 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.073 14.733 1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.533 15.314 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.476 13.780 1.100 1.00 0.00 H new ATOM 692 N VAL A 517 12.343 11.387 8.345 1.00 0.00 N ATOM 693 CA VAL A 517 11.336 10.342 8.586 1.00 0.00 C ATOM 694 C VAL A 517 9.952 10.761 8.074 1.00 0.00 C ATOM 695 O VAL A 517 9.758 11.905 7.647 1.00 0.00 O ATOM 696 CB VAL A 517 11.281 9.905 10.073 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.660 9.678 10.704 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.536 10.900 10.967 1.00 0.00 C ATOM 0 H VAL A 517 12.068 12.297 8.715 1.00 0.00 H new ATOM 0 HA VAL A 517 11.651 9.470 8.013 1.00 0.00 H new ATOM 0 HB VAL A 517 10.740 8.960 10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.539 9.375 11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.186 8.896 10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.237 10.602 10.660 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.534 10.535 11.994 1.00 0.00 H new ATOM 0 HG22 VAL A 517 11.034 11.869 10.927 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.509 11.005 10.617 1.00 0.00 H new ATOM 708 N ARG A 518 8.975 9.850 8.148 1.00 0.00 N ATOM 709 CA ARG A 518 7.574 10.097 7.773 1.00 0.00 C ATOM 710 C ARG A 518 6.613 9.616 8.859 1.00 0.00 C ATOM 711 O ARG A 518 6.709 8.472 9.314 1.00 0.00 O ATOM 712 CB ARG A 518 7.306 9.458 6.397 1.00 0.00 C ATOM 713 CG ARG A 518 5.895 9.756 5.865 1.00 0.00 C ATOM 714 CD ARG A 518 5.749 9.447 4.370 1.00 0.00 C ATOM 715 NE ARG A 518 5.494 8.019 4.101 1.00 0.00 N ATOM 716 CZ ARG A 518 5.085 7.506 2.952 1.00 0.00 C ATOM 717 NH1 ARG A 518 4.896 8.243 1.891 1.00 0.00 N ATOM 718 NH2 ARG A 518 4.845 6.230 2.842 1.00 0.00 N ATOM 0 H ARG A 518 9.138 8.899 8.477 1.00 0.00 H new ATOM 0 HA ARG A 518 7.396 11.169 7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 518 8.043 9.824 5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.441 8.379 6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.168 9.169 6.426 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.659 10.806 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.932 10.040 3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.657 9.753 3.851 1.00 0.00 H new ATOM 0 HE ARG A 518 5.647 7.368 4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.064 9.248 1.932 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.580 7.814 1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 518 4.972 5.616 3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 518 4.530 5.845 1.951 1.00 0.00 H new ATOM 732 N ASP A 519 5.696 10.489 9.280 1.00 0.00 N ATOM 733 CA ASP A 519 4.616 10.139 10.207 1.00 0.00 C ATOM 734 C ASP A 519 3.568 9.226 9.542 1.00 0.00 C ATOM 735 O ASP A 519 3.387 9.276 8.320 1.00 0.00 O ATOM 736 CB ASP A 519 3.947 11.406 10.737 1.00 0.00 C ATOM 737 CG ASP A 519 4.564 11.938 12.034 1.00 0.00 C ATOM 738 OD1 ASP A 519 4.164 11.460 13.116 1.00 0.00 O ATOM 739 OD2 ASP A 519 5.398 12.871 11.960 1.00 0.00 O ATOM 0 H ASP A 519 5.681 11.466 8.986 1.00 0.00 H new ATOM 0 HA ASP A 519 5.058 9.588 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 519 4.005 12.182 9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 519 2.889 11.203 10.906 1.00 0.00 H new ATOM 744 N PRO A 520 2.803 8.452 10.335 1.00 0.00 N ATOM 745 CA PRO A 520 1.790 7.531 9.824 1.00 0.00 C ATOM 746 C PRO A 520 0.601 8.239 9.135 1.00 0.00 C ATOM 747 O PRO A 520 -0.190 7.594 8.442 1.00 0.00 O ATOM 748 CB PRO A 520 1.344 6.706 11.038 1.00 0.00 C ATOM 749 CG PRO A 520 1.598 7.639 12.220 1.00 0.00 C ATOM 750 CD PRO A 520 2.846 8.403 11.789 1.00 0.00 C ATOM 0 HA PRO A 520 2.206 6.906 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.293 6.425 10.968 1.00 0.00 H new ATOM 0 HB3 PRO A 520 1.916 5.782 11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.755 8.308 12.395 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.763 7.085 13.144 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.855 9.407 12.213 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.750 7.902 12.136 1.00 0.00 H new ATOM 758 N ALA A 521 0.479 9.564 9.303 1.00 0.00 N ATOM 759 CA ALA A 521 -0.514 10.422 8.654 1.00 0.00 C ATOM 760 C ALA A 521 -0.101 10.873 7.236 1.00 0.00 C ATOM 761 O ALA A 521 -0.933 11.408 6.497 1.00 0.00 O ATOM 762 CB ALA A 521 -0.716 11.647 9.554 1.00 0.00 C ATOM 0 H ALA A 521 1.098 10.086 9.923 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.434 9.851 8.527 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.452 12.313 9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.071 11.325 10.533 1.00 0.00 H new ATOM 0 HB3 ALA A 521 0.231 12.176 9.667 1.00 0.00 H new ATOM 768 N GLY A 522 1.171 10.678 6.858 1.00 0.00 N ATOM 769 CA GLY A 522 1.682 10.961 5.514 1.00 0.00 C ATOM 770 C GLY A 522 2.558 12.208 5.384 1.00 0.00 C ATOM 771 O GLY A 522 2.548 12.848 4.329 1.00 0.00 O ATOM 0 H GLY A 522 1.883 10.313 7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.257 10.099 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.834 11.064 4.837 1.00 0.00 H new ATOM 775 N GLN A 523 3.275 12.588 6.444 1.00 0.00 N ATOM 776 CA GLN A 523 3.993 13.867 6.533 1.00 0.00 C ATOM 777 C GLN A 523 5.493 13.637 6.703 1.00 0.00 C ATOM 778 O GLN A 523 5.896 12.878 7.583 1.00 0.00 O ATOM 779 CB GLN A 523 3.474 14.664 7.735 1.00 0.00 C ATOM 780 CG GLN A 523 1.958 14.852 7.746 1.00 0.00 C ATOM 781 CD GLN A 523 1.540 16.052 8.599 1.00 0.00 C ATOM 782 OE1 GLN A 523 1.021 17.048 8.104 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.761 16.030 9.896 1.00 0.00 N ATOM 0 H GLN A 523 3.376 12.009 7.278 1.00 0.00 H new ATOM 0 HA GLN A 523 3.822 14.421 5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.774 14.156 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.952 15.644 7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.601 14.990 6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.483 13.950 8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 523 2.191 15.211 10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 523 1.502 16.832 10.471 1.00 0.00 H new ATOM 792 N GLU A 524 6.313 14.309 5.895 1.00 0.00 N ATOM 793 CA GLU A 524 7.778 14.167 5.878 1.00 0.00 C ATOM 794 C GLU A 524 8.478 15.473 6.286 1.00 0.00 C ATOM 795 O GLU A 524 7.999 16.584 6.028 1.00 0.00 O ATOM 796 CB GLU A 524 8.276 13.748 4.486 1.00 0.00 C ATOM 797 CG GLU A 524 7.670 12.441 3.954 1.00 0.00 C ATOM 798 CD GLU A 524 7.448 12.490 2.428 1.00 0.00 C ATOM 799 OE1 GLU A 524 6.548 13.231 1.970 1.00 0.00 O ATOM 800 OE2 GLU A 524 8.149 11.777 1.674 1.00 0.00 O ATOM 0 H GLU A 524 5.972 14.987 5.214 1.00 0.00 H new ATOM 0 HA GLU A 524 8.026 13.391 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.055 14.549 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.360 13.643 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.330 11.609 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.720 12.252 4.453 1.00 0.00 H new ATOM 807 N GLY A 525 9.636 15.322 6.919 1.00 0.00 N ATOM 808 CA GLY A 525 10.439 16.380 7.519 1.00 0.00 C ATOM 809 C GLY A 525 11.591 15.765 8.308 1.00 0.00 C ATOM 810 O GLY A 525 11.931 14.594 8.084 1.00 0.00 O ATOM 0 H GLY A 525 10.064 14.403 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.828 17.039 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.820 16.991 8.176 1.00 0.00 H new ATOM 814 N TYR A 526 12.145 16.499 9.253 1.00 0.00 N ATOM 815 CA TYR A 526 13.292 16.085 10.067 1.00 0.00 C ATOM 816 C TYR A 526 12.933 15.982 11.556 1.00 0.00 C ATOM 817 O TYR A 526 12.156 16.788 12.079 1.00 0.00 O ATOM 818 CB TYR A 526 14.442 17.079 9.846 1.00 0.00 C ATOM 819 CG TYR A 526 14.990 17.095 8.431 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.751 16.010 7.952 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.748 18.201 7.595 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.254 16.028 6.636 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.231 18.215 6.276 1.00 0.00 C ATOM 824 CZ TYR A 526 15.989 17.130 5.792 1.00 0.00 C ATOM 825 OH TYR A 526 16.459 17.150 4.514 1.00 0.00 O ATOM 0 H TYR A 526 11.805 17.431 9.490 1.00 0.00 H new ATOM 0 HA TYR A 526 13.601 15.088 9.754 1.00 0.00 H new ATOM 0 HB2 TYR A 526 14.095 18.081 10.100 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.252 16.838 10.534 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.949 15.164 8.594 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.187 19.044 7.970 1.00 0.00 H new ATOM 0 HE1 TYR A 526 16.843 15.199 6.272 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.022 19.057 5.633 1.00 0.00 H new ATOM 0 HH TYR A 526 16.182 17.982 4.077 1.00 0.00 H new ATOM 835 N VAL A 527 13.555 15.023 12.249 1.00 0.00 N ATOM 836 CA VAL A 527 13.461 14.837 13.708 1.00 0.00 C ATOM 837 C VAL A 527 14.828 14.436 14.294 1.00 0.00 C ATOM 838 O VAL A 527 15.620 13.781 13.605 1.00 0.00 O ATOM 839 CB VAL A 527 12.392 13.787 14.087 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.973 14.257 13.747 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.639 12.433 13.420 1.00 0.00 C ATOM 0 H VAL A 527 14.157 14.332 11.801 1.00 0.00 H new ATOM 0 HA VAL A 527 13.156 15.792 14.136 1.00 0.00 H new ATOM 0 HB VAL A 527 12.479 13.667 15.167 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.257 13.486 14.031 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.754 15.175 14.292 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.899 14.444 12.676 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.860 11.732 13.720 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.622 12.553 12.337 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.611 12.048 13.728 1.00 0.00 H new ATOM 851 N PRO A 528 15.139 14.809 15.548 1.00 0.00 N ATOM 852 CA PRO A 528 16.446 14.565 16.157 1.00 0.00 C ATOM 853 C PRO A 528 16.691 13.079 16.437 1.00 0.00 C ATOM 854 O PRO A 528 15.825 12.390 16.974 1.00 0.00 O ATOM 855 CB PRO A 528 16.432 15.373 17.455 1.00 0.00 C ATOM 856 CG PRO A 528 14.955 15.499 17.816 1.00 0.00 C ATOM 857 CD PRO A 528 14.288 15.571 16.450 1.00 0.00 C ATOM 0 HA PRO A 528 17.253 14.864 15.488 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.990 14.867 18.243 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.891 16.352 17.317 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.604 14.644 18.395 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.757 16.390 18.412 1.00 0.00 H new ATOM 0 HD2 PRO A 528 13.282 15.152 16.484 1.00 0.00 H new ATOM 0 HD3 PRO A 528 14.192 16.604 16.116 1.00 0.00 H new ATOM 865 N TYR A 529 17.898 12.576 16.153 1.00 0.00 N ATOM 866 CA TYR A 529 18.225 11.162 16.396 1.00 0.00 C ATOM 867 C TYR A 529 18.190 10.750 17.878 1.00 0.00 C ATOM 868 O TYR A 529 18.043 9.563 18.165 1.00 0.00 O ATOM 869 CB TYR A 529 19.571 10.772 15.762 1.00 0.00 C ATOM 870 CG TYR A 529 20.811 10.995 16.624 1.00 0.00 C ATOM 871 CD1 TYR A 529 21.162 12.290 17.056 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.601 9.898 17.025 1.00 0.00 C ATOM 873 CE1 TYR A 529 22.289 12.501 17.874 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.729 10.097 17.845 1.00 0.00 C ATOM 875 CZ TYR A 529 23.077 11.399 18.273 1.00 0.00 C ATOM 876 OH TYR A 529 24.159 11.598 19.071 1.00 0.00 O ATOM 0 H TYR A 529 18.663 13.122 15.756 1.00 0.00 H new ATOM 0 HA TYR A 529 17.426 10.605 15.907 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.529 9.718 15.489 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.691 11.336 14.837 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.558 13.133 16.755 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.340 8.901 16.702 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.549 13.499 18.194 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.330 9.252 18.148 1.00 0.00 H new ATOM 0 HH TYR A 529 24.592 10.738 19.255 1.00 0.00 H new ATOM 886 N ASN A 530 18.292 11.693 18.828 1.00 0.00 N ATOM 887 CA ASN A 530 18.283 11.355 20.256 1.00 0.00 C ATOM 888 C ASN A 530 16.921 10.809 20.734 1.00 0.00 C ATOM 889 O ASN A 530 16.885 9.963 21.631 1.00 0.00 O ATOM 890 CB ASN A 530 18.742 12.560 21.097 1.00 0.00 C ATOM 891 CG ASN A 530 17.591 13.457 21.513 1.00 0.00 C ATOM 892 OD1 ASN A 530 17.007 14.177 20.722 1.00 0.00 O ATOM 893 ND2 ASN A 530 17.183 13.395 22.753 1.00 0.00 N ATOM 0 H ASN A 530 18.381 12.690 18.632 1.00 0.00 H new ATOM 0 HA ASN A 530 18.995 10.543 20.400 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.257 12.201 21.988 1.00 0.00 H new ATOM 0 HB3 ASN A 530 19.463 13.143 20.525 1.00 0.00 H new ATOM 0 HD21 ASN A 530 16.380 13.947 23.054 1.00 0.00 H new ATOM 0 HD22 ASN A 530 17.668 12.794 23.420 1.00 0.00 H new ATOM 900 N ILE A 531 15.806 11.257 20.130 1.00 0.00 N ATOM 901 CA ILE A 531 14.470 10.729 20.449 1.00 0.00 C ATOM 902 C ILE A 531 14.171 9.452 19.660 1.00 0.00 C ATOM 903 O ILE A 531 13.136 8.847 19.902 1.00 0.00 O ATOM 904 CB ILE A 531 13.329 11.780 20.328 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.894 12.039 18.869 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.726 13.090 21.037 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.807 13.108 18.713 1.00 0.00 C ATOM 0 H ILE A 531 15.805 11.986 19.416 1.00 0.00 H new ATOM 0 HA ILE A 531 14.497 10.468 21.507 1.00 0.00 H new ATOM 0 HB ILE A 531 12.457 11.359 20.829 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.767 12.339 18.290 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.532 11.105 18.439 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.917 13.814 20.943 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.913 12.890 22.092 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.629 13.493 20.578 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.562 13.226 17.658 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.915 12.803 19.261 1.00 0.00 H new ATOM 0 HD13 ILE A 531 12.170 14.056 19.109 1.00 0.00 H new ATOM 919 N LEU A 532 15.051 9.007 18.757 1.00 0.00 N ATOM 920 CA LEU A 532 14.851 7.798 17.956 1.00 0.00 C ATOM 921 C LEU A 532 15.678 6.619 18.511 1.00 0.00 C ATOM 922 O LEU A 532 16.845 6.786 18.875 1.00 0.00 O ATOM 923 CB LEU A 532 15.216 8.122 16.493 1.00 0.00 C ATOM 924 CG LEU A 532 14.409 9.272 15.849 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.874 9.484 14.405 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.895 9.038 15.884 1.00 0.00 C ATOM 0 H LEU A 532 15.932 9.483 18.561 1.00 0.00 H new ATOM 0 HA LEU A 532 13.808 7.486 18.004 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.275 8.374 16.448 1.00 0.00 H new ATOM 0 HB3 LEU A 532 15.077 7.222 15.893 1.00 0.00 H new ATOM 0 HG LEU A 532 14.600 10.166 16.442 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.303 10.296 13.954 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.934 9.739 14.398 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.717 8.569 13.834 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.386 9.881 15.417 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.656 8.123 15.342 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.565 8.943 16.919 1.00 0.00 H new ATOM 938 N THR A 533 15.093 5.417 18.548 1.00 0.00 N ATOM 939 CA THR A 533 15.777 4.165 18.948 1.00 0.00 C ATOM 940 C THR A 533 15.540 3.059 17.904 1.00 0.00 C ATOM 941 O THR A 533 14.428 2.970 17.365 1.00 0.00 O ATOM 942 CB THR A 533 15.364 3.734 20.372 1.00 0.00 C ATOM 943 OG1 THR A 533 16.053 2.579 20.785 1.00 0.00 O ATOM 944 CG2 THR A 533 13.887 3.425 20.545 1.00 0.00 C ATOM 0 H THR A 533 14.114 5.276 18.298 1.00 0.00 H new ATOM 0 HA THR A 533 16.851 4.351 18.980 1.00 0.00 H new ATOM 0 HB THR A 533 15.616 4.607 20.975 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.769 2.335 21.691 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.695 3.132 21.577 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.299 4.311 20.304 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.605 2.610 19.878 1.00 0.00 H new ATOM 952 N PRO A 534 16.558 2.233 17.570 1.00 0.00 N ATOM 953 CA PRO A 534 16.466 1.185 16.549 1.00 0.00 C ATOM 954 C PRO A 534 15.505 0.067 16.978 1.00 0.00 C ATOM 955 O PRO A 534 15.819 -0.756 17.845 1.00 0.00 O ATOM 956 CB PRO A 534 17.902 0.685 16.330 1.00 0.00 C ATOM 957 CG PRO A 534 18.588 0.968 17.664 1.00 0.00 C ATOM 958 CD PRO A 534 17.910 2.256 18.125 1.00 0.00 C ATOM 0 HA PRO A 534 16.050 1.564 15.616 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.924 -0.377 16.085 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.389 1.211 15.509 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.440 0.156 18.376 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.664 1.097 17.547 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.882 2.312 19.213 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.459 3.130 17.775 1.00 0.00 H new ATOM 966 N TYR A 535 14.308 0.059 16.389 1.00 0.00 N ATOM 967 CA TYR A 535 13.238 -0.873 16.747 1.00 0.00 C ATOM 968 C TYR A 535 13.521 -2.297 16.206 1.00 0.00 C ATOM 969 O TYR A 535 14.022 -2.427 15.082 1.00 0.00 O ATOM 970 CB TYR A 535 11.907 -0.297 16.228 1.00 0.00 C ATOM 971 CG TYR A 535 10.685 -0.753 17.002 1.00 0.00 C ATOM 972 CD1 TYR A 535 10.597 -0.481 18.384 1.00 0.00 C ATOM 973 CD2 TYR A 535 9.635 -1.430 16.353 1.00 0.00 C ATOM 974 CE1 TYR A 535 9.474 -0.902 19.121 1.00 0.00 C ATOM 975 CE2 TYR A 535 8.503 -1.841 17.086 1.00 0.00 C ATOM 976 CZ TYR A 535 8.422 -1.581 18.472 1.00 0.00 C ATOM 977 OH TYR A 535 7.331 -1.984 19.179 1.00 0.00 O ATOM 0 H TYR A 535 14.052 0.706 15.643 1.00 0.00 H new ATOM 0 HA TYR A 535 13.180 -0.980 17.830 1.00 0.00 H new ATOM 0 HB2 TYR A 535 11.958 0.791 16.261 1.00 0.00 H new ATOM 0 HB3 TYR A 535 11.786 -0.579 15.182 1.00 0.00 H new ATOM 0 HD1 TYR A 535 11.395 0.053 18.879 1.00 0.00 H new ATOM 0 HD2 TYR A 535 9.697 -1.634 15.294 1.00 0.00 H new ATOM 0 HE1 TYR A 535 9.418 -0.705 20.181 1.00 0.00 H new ATOM 0 HE2 TYR A 535 7.696 -2.356 16.587 1.00 0.00 H new ATOM 0 HH TYR A 535 6.701 -2.435 18.579 1.00 0.00 H new ATOM 987 N PRO A 536 13.216 -3.378 16.959 1.00 0.00 N ATOM 988 CA PRO A 536 13.550 -4.755 16.573 1.00 0.00 C ATOM 989 C PRO A 536 12.609 -5.375 15.512 1.00 0.00 C ATOM 990 O PRO A 536 12.844 -6.508 15.082 1.00 0.00 O ATOM 991 CB PRO A 536 13.515 -5.547 17.887 1.00 0.00 C ATOM 992 CG PRO A 536 12.443 -4.823 18.696 1.00 0.00 C ATOM 993 CD PRO A 536 12.656 -3.363 18.305 1.00 0.00 C ATOM 0 HA PRO A 536 14.523 -4.779 16.082 1.00 0.00 H new ATOM 0 HB2 PRO A 536 13.258 -6.593 17.721 1.00 0.00 H new ATOM 0 HB3 PRO A 536 14.481 -5.533 18.393 1.00 0.00 H new ATOM 0 HG2 PRO A 536 11.441 -5.168 18.441 1.00 0.00 H new ATOM 0 HG3 PRO A 536 12.571 -4.978 19.767 1.00 0.00 H new ATOM 0 HD2 PRO A 536 11.715 -2.813 18.329 1.00 0.00 H new ATOM 0 HD3 PRO A 536 13.332 -2.868 19.002 1.00 0.00 H new ATOM 1001 N GLY A 537 11.542 -4.663 15.106 1.00 0.00 N ATOM 1002 CA GLY A 537 10.573 -5.088 14.076 1.00 0.00 C ATOM 1003 C GLY A 537 11.148 -5.261 12.659 1.00 0.00 C ATOM 1004 O GLY A 537 10.497 -5.953 11.846 1.00 0.00 O ATOM 0 H GLY A 537 11.322 -3.747 15.497 1.00 0.00 H new ATOM 0 HA2 GLY A 537 10.129 -6.034 14.387 1.00 0.00 H new ATOM 0 HA3 GLY A 537 9.767 -4.355 14.036 1.00 0.00 H new TER 1008 GLY A 537 ATOM 1009 N PRO B 538 15.670 15.359 26.952 1.00 0.00 N ATOM 1010 CA PRO B 538 16.569 16.409 26.386 1.00 0.00 C ATOM 1011 C PRO B 538 16.616 16.365 24.838 1.00 0.00 C ATOM 1012 O PRO B 538 17.608 15.916 24.260 1.00 0.00 O ATOM 1013 CB PRO B 538 17.948 16.195 27.043 1.00 0.00 C ATOM 1014 CG PRO B 538 17.986 14.681 27.264 1.00 0.00 C ATOM 1015 CD PRO B 538 16.545 14.417 27.696 1.00 0.00 C ATOM 0 HA PRO B 538 16.198 17.409 26.609 1.00 0.00 H new ATOM 0 HB2 PRO B 538 18.760 16.530 26.398 1.00 0.00 H new ATOM 0 HB3 PRO B 538 18.039 16.743 27.981 1.00 0.00 H new ATOM 0 HG2 PRO B 538 18.251 14.138 26.357 1.00 0.00 H new ATOM 0 HG3 PRO B 538 18.706 14.393 28.030 1.00 0.00 H new ATOM 0 HD2 PRO B 538 16.265 13.385 27.483 1.00 0.00 H new ATOM 0 HD3 PRO B 538 16.436 14.561 28.771 1.00 0.00 H new ATOM 1023 N PRO B 539 15.547 16.802 24.137 1.00 0.00 N ATOM 1024 CA PRO B 539 15.493 16.807 22.669 1.00 0.00 C ATOM 1025 C PRO B 539 16.485 17.810 22.047 1.00 0.00 C ATOM 1026 O PRO B 539 16.995 18.708 22.725 1.00 0.00 O ATOM 1027 CB PRO B 539 14.036 17.139 22.323 1.00 0.00 C ATOM 1028 CG PRO B 539 13.586 18.003 23.499 1.00 0.00 C ATOM 1029 CD PRO B 539 14.328 17.389 24.686 1.00 0.00 C ATOM 0 HA PRO B 539 15.794 15.844 22.256 1.00 0.00 H new ATOM 0 HB2 PRO B 539 13.959 17.675 21.377 1.00 0.00 H new ATOM 0 HB3 PRO B 539 13.429 16.238 22.230 1.00 0.00 H new ATOM 0 HG2 PRO B 539 13.853 19.050 23.355 1.00 0.00 H new ATOM 0 HG3 PRO B 539 12.505 17.965 23.636 1.00 0.00 H new ATOM 0 HD2 PRO B 539 14.562 18.146 25.434 1.00 0.00 H new ATOM 0 HD3 PRO B 539 13.718 16.632 25.179 1.00 0.00 H new ATOM 1037 N VAL B 540 16.718 17.677 20.735 1.00 0.00 N ATOM 1038 CA VAL B 540 17.633 18.518 19.931 1.00 0.00 C ATOM 1039 C VAL B 540 19.112 18.379 20.379 1.00 0.00 C ATOM 1040 O VAL B 540 19.633 19.236 21.101 1.00 0.00 O ATOM 1041 CB VAL B 540 17.134 19.979 19.803 1.00 0.00 C ATOM 1042 CG1 VAL B 540 18.022 20.783 18.837 1.00 0.00 C ATOM 1043 CG2 VAL B 540 15.666 20.022 19.344 1.00 0.00 C ATOM 0 H VAL B 540 16.260 16.956 20.178 1.00 0.00 H new ATOM 0 HA VAL B 540 17.615 18.130 18.912 1.00 0.00 H new ATOM 0 HB VAL B 540 17.198 20.438 20.789 1.00 0.00 H new ATOM 0 HG11 VAL B 540 17.650 21.805 18.766 1.00 0.00 H new ATOM 0 HG12 VAL B 540 19.046 20.795 19.209 1.00 0.00 H new ATOM 0 HG13 VAL B 540 18.000 20.319 17.851 1.00 0.00 H new ATOM 0 HG21 VAL B 540 15.341 21.059 19.262 1.00 0.00 H new ATOM 0 HG22 VAL B 540 15.574 19.535 18.373 1.00 0.00 H new ATOM 0 HG23 VAL B 540 15.042 19.502 20.071 1.00 0.00 H new ATOM 1053 N PRO B 541 19.808 17.287 19.980 1.00 0.00 N ATOM 1054 CA PRO B 541 21.204 16.997 20.343 1.00 0.00 C ATOM 1055 C PRO B 541 22.195 18.026 19.779 1.00 0.00 C ATOM 1056 O PRO B 541 23.099 18.488 20.480 1.00 0.00 O ATOM 1057 CB PRO B 541 21.493 15.598 19.785 1.00 0.00 C ATOM 1058 CG PRO B 541 20.471 15.409 18.666 1.00 0.00 C ATOM 1059 CD PRO B 541 19.282 16.210 19.162 1.00 0.00 C ATOM 0 HA PRO B 541 21.331 17.047 21.424 1.00 0.00 H new ATOM 0 HB2 PRO B 541 22.513 15.525 19.407 1.00 0.00 H new ATOM 0 HB3 PRO B 541 21.383 14.834 20.555 1.00 0.00 H new ATOM 0 HG2 PRO B 541 20.842 15.783 17.712 1.00 0.00 H new ATOM 0 HG3 PRO B 541 20.219 14.358 18.521 1.00 0.00 H new ATOM 0 HD2 PRO B 541 18.708 16.607 18.325 1.00 0.00 H new ATOM 0 HD3 PRO B 541 18.607 15.580 19.741 1.00 0.00 H new ATOM 1067 N ASN B 542 22.004 18.382 18.508 1.00 0.00 N ATOM 1068 CA ASN B 542 22.820 19.276 17.683 1.00 0.00 C ATOM 1069 C ASN B 542 21.940 19.818 16.530 1.00 0.00 C ATOM 1070 O ASN B 542 20.875 19.242 16.270 1.00 0.00 O ATOM 1071 CB ASN B 542 24.010 18.463 17.128 1.00 0.00 C ATOM 1072 CG ASN B 542 25.136 18.264 18.130 1.00 0.00 C ATOM 1073 OD1 ASN B 542 25.401 17.160 18.589 1.00 0.00 O ATOM 1074 ND2 ASN B 542 25.859 19.309 18.474 1.00 0.00 N ATOM 0 H ASN B 542 21.206 18.022 17.984 1.00 0.00 H new ATOM 0 HA ASN B 542 23.200 20.118 18.262 1.00 0.00 H new ATOM 0 HB2 ASN B 542 23.651 17.487 16.801 1.00 0.00 H new ATOM 0 HB3 ASN B 542 24.405 18.969 16.247 1.00 0.00 H new ATOM 0 HD21 ASN B 542 26.639 19.199 19.122 1.00 0.00 H new ATOM 0 HD22 ASN B 542 25.639 20.229 18.092 1.00 0.00 H new ATOM 1081 N PRO B 543 22.345 20.887 15.818 1.00 0.00 N ATOM 1082 CA PRO B 543 21.615 21.381 14.647 1.00 0.00 C ATOM 1083 C PRO B 543 21.699 20.437 13.427 1.00 0.00 C ATOM 1084 O PRO B 543 22.647 19.662 13.269 1.00 0.00 O ATOM 1085 CB PRO B 543 22.217 22.758 14.346 1.00 0.00 C ATOM 1086 CG PRO B 543 23.641 22.657 14.891 1.00 0.00 C ATOM 1087 CD PRO B 543 23.484 21.750 16.111 1.00 0.00 C ATOM 0 HA PRO B 543 20.547 21.437 14.858 1.00 0.00 H new ATOM 0 HB2 PRO B 543 22.211 22.973 13.277 1.00 0.00 H new ATOM 0 HB3 PRO B 543 21.657 23.555 14.834 1.00 0.00 H new ATOM 0 HG2 PRO B 543 24.324 22.230 14.157 1.00 0.00 H new ATOM 0 HG3 PRO B 543 24.038 23.635 15.164 1.00 0.00 H new ATOM 0 HD2 PRO B 543 24.386 21.163 16.281 1.00 0.00 H new ATOM 0 HD3 PRO B 543 23.310 22.335 17.014 1.00 0.00 H new ATOM 1095 N ASP B 544 20.703 20.546 12.549 1.00 0.00 N ATOM 1096 CA ASP B 544 20.522 19.814 11.285 1.00 0.00 C ATOM 1097 C ASP B 544 20.950 20.638 10.047 1.00 0.00 C ATOM 1098 O ASP B 544 21.482 21.749 10.170 1.00 0.00 O ATOM 1099 CB ASP B 544 19.037 19.422 11.190 1.00 0.00 C ATOM 1100 CG ASP B 544 18.105 20.635 10.977 1.00 0.00 C ATOM 1101 OD1 ASP B 544 18.011 21.499 11.886 1.00 0.00 O ATOM 1102 OD2 ASP B 544 17.467 20.742 9.909 1.00 0.00 O ATOM 0 H ASP B 544 19.937 21.200 12.711 1.00 0.00 H new ATOM 0 HA ASP B 544 21.164 18.933 11.288 1.00 0.00 H new ATOM 0 HB2 ASP B 544 18.904 18.720 10.367 1.00 0.00 H new ATOM 0 HB3 ASP B 544 18.745 18.902 12.103 1.00 0.00 H new ATOM 1107 N TYR B 545 20.718 20.095 8.845 1.00 0.00 N ATOM 1108 CA TYR B 545 21.013 20.749 7.561 1.00 0.00 C ATOM 1109 C TYR B 545 19.971 20.409 6.467 1.00 0.00 C ATOM 1110 O TYR B 545 19.104 19.556 6.672 1.00 0.00 O ATOM 1111 CB TYR B 545 22.447 20.379 7.132 1.00 0.00 C ATOM 1112 CG TYR B 545 23.155 21.478 6.360 1.00 0.00 C ATOM 1113 CD1 TYR B 545 23.532 22.659 7.030 1.00 0.00 C ATOM 1114 CD2 TYR B 545 23.440 21.326 4.989 1.00 0.00 C ATOM 1115 CE1 TYR B 545 24.186 23.693 6.333 1.00 0.00 C ATOM 1116 CE2 TYR B 545 24.092 22.360 4.287 1.00 0.00 C ATOM 1117 CZ TYR B 545 24.466 23.546 4.957 1.00 0.00 C ATOM 1118 OH TYR B 545 25.098 24.540 4.275 1.00 0.00 O ATOM 0 H TYR B 545 20.310 19.167 8.734 1.00 0.00 H new ATOM 0 HA TYR B 545 20.945 21.829 7.694 1.00 0.00 H new ATOM 0 HB2 TYR B 545 23.031 20.136 8.020 1.00 0.00 H new ATOM 0 HB3 TYR B 545 22.412 19.480 6.517 1.00 0.00 H new ATOM 0 HD1 TYR B 545 23.318 22.772 8.083 1.00 0.00 H new ATOM 0 HD2 TYR B 545 23.159 20.418 4.476 1.00 0.00 H new ATOM 0 HE1 TYR B 545 24.473 24.597 6.850 1.00 0.00 H new ATOM 0 HE2 TYR B 545 24.306 22.245 3.235 1.00 0.00 H new ATOM 0 HH TYR B 545 25.213 24.273 3.339 1.00 0.00 H new ATOM 1128 N GLU B 546 20.063 21.067 5.304 1.00 0.00 N ATOM 1129 CA GLU B 546 19.086 21.014 4.192 1.00 0.00 C ATOM 1130 C GLU B 546 17.639 21.408 4.599 1.00 0.00 C ATOM 1131 O GLU B 546 16.734 20.564 4.572 1.00 0.00 O ATOM 1132 CB GLU B 546 19.155 19.669 3.433 1.00 0.00 C ATOM 1133 CG GLU B 546 20.527 19.413 2.800 1.00 0.00 C ATOM 1134 CD GLU B 546 20.537 18.105 1.983 1.00 0.00 C ATOM 1135 OE1 GLU B 546 19.954 18.087 0.878 1.00 0.00 O ATOM 1136 OE2 GLU B 546 21.140 17.103 2.426 1.00 0.00 O ATOM 0 H GLU B 546 20.852 21.679 5.097 1.00 0.00 H new ATOM 0 HA GLU B 546 19.390 21.793 3.493 1.00 0.00 H new ATOM 0 HB2 GLU B 546 18.920 18.857 4.121 1.00 0.00 H new ATOM 0 HB3 GLU B 546 18.393 19.657 2.654 1.00 0.00 H new ATOM 0 HG2 GLU B 546 20.792 20.249 2.153 1.00 0.00 H new ATOM 0 HG3 GLU B 546 21.285 19.361 3.581 1.00 0.00 H new ATOM 1143 N PRO B 547 17.396 22.682 4.986 1.00 0.00 N ATOM 1144 CA PRO B 547 16.082 23.176 5.426 1.00 0.00 C ATOM 1145 C PRO B 547 14.992 23.173 4.329 1.00 0.00 C ATOM 1146 O PRO B 547 15.261 22.980 3.138 1.00 0.00 O ATOM 1147 CB PRO B 547 16.344 24.591 5.966 1.00 0.00 C ATOM 1148 CG PRO B 547 17.571 25.054 5.189 1.00 0.00 C ATOM 1149 CD PRO B 547 18.372 23.767 5.022 1.00 0.00 C ATOM 0 HA PRO B 547 15.670 22.506 6.181 1.00 0.00 H new ATOM 0 HB2 PRO B 547 15.491 25.248 5.796 1.00 0.00 H new ATOM 0 HB3 PRO B 547 16.530 24.581 7.040 1.00 0.00 H new ATOM 0 HG2 PRO B 547 17.300 25.489 4.227 1.00 0.00 H new ATOM 0 HG3 PRO B 547 18.133 25.812 5.735 1.00 0.00 H new ATOM 0 HD2 PRO B 547 18.961 23.791 4.105 1.00 0.00 H new ATOM 0 HD3 PRO B 547 19.072 23.634 5.847 1.00 0.00 H new ATOM 1157 N ILE B 548 13.743 23.440 4.747 1.00 0.00 N ATOM 1158 CA ILE B 548 12.509 23.318 3.939 1.00 0.00 C ATOM 1159 C ILE B 548 11.637 24.593 4.107 1.00 0.00 C ATOM 1160 O ILE B 548 10.484 24.535 4.549 1.00 0.00 O ATOM 1161 CB ILE B 548 11.743 21.999 4.261 1.00 0.00 C ATOM 1162 CG1 ILE B 548 12.655 20.772 4.510 1.00 0.00 C ATOM 1163 CG2 ILE B 548 10.736 21.693 3.151 1.00 0.00 C ATOM 1164 CD1 ILE B 548 11.955 19.436 4.702 1.00 0.00 C ATOM 0 H ILE B 548 13.553 23.761 5.697 1.00 0.00 H new ATOM 0 HA ILE B 548 12.777 23.248 2.885 1.00 0.00 H new ATOM 0 HB ILE B 548 11.227 22.178 5.204 1.00 0.00 H new ATOM 0 HG12 ILE B 548 13.341 20.680 3.668 1.00 0.00 H new ATOM 0 HG13 ILE B 548 13.260 20.970 5.394 1.00 0.00 H new ATOM 0 HG21 ILE B 548 10.206 20.770 3.385 1.00 0.00 H new ATOM 0 HG22 ILE B 548 10.021 22.512 3.072 1.00 0.00 H new ATOM 0 HG23 ILE B 548 11.262 21.579 2.203 1.00 0.00 H new ATOM 0 HD11 ILE B 548 12.698 18.656 4.868 1.00 0.00 H new ATOM 0 HD12 ILE B 548 11.291 19.494 5.565 1.00 0.00 H new ATOM 0 HD13 ILE B 548 11.373 19.199 3.811 1.00 0.00 H new ATOM 1176 N ARG B 549 12.216 25.770 3.818 1.00 0.00 N ATOM 1177 CA ARG B 549 11.549 27.093 3.844 1.00 0.00 C ATOM 1178 C ARG B 549 11.912 27.916 2.602 1.00 0.00 C ATOM 1179 O ARG B 549 13.118 28.036 2.284 1.00 0.00 O ATOM 1180 CB ARG B 549 11.881 27.879 5.131 1.00 0.00 C ATOM 1181 CG ARG B 549 11.162 27.397 6.406 1.00 0.00 C ATOM 1182 CD ARG B 549 11.830 26.210 7.122 1.00 0.00 C ATOM 1183 NE ARG B 549 12.430 26.600 8.416 1.00 0.00 N ATOM 1184 CZ ARG B 549 13.691 26.896 8.681 1.00 0.00 C ATOM 1185 NH1 ARG B 549 14.590 27.047 7.750 1.00 0.00 N ATOM 1186 NH2 ARG B 549 14.080 27.058 9.911 1.00 0.00 N ATOM 0 H ARG B 549 13.198 25.834 3.549 1.00 0.00 H new ATOM 0 HA ARG B 549 10.474 26.911 3.837 1.00 0.00 H new ATOM 0 HB2 ARG B 549 12.957 27.828 5.300 1.00 0.00 H new ATOM 0 HB3 ARG B 549 11.633 28.928 4.969 1.00 0.00 H new ATOM 0 HG2 ARG B 549 11.095 28.231 7.104 1.00 0.00 H new ATOM 0 HG3 ARG B 549 10.142 27.117 6.145 1.00 0.00 H new ATOM 0 HD2 ARG B 549 11.091 25.426 7.288 1.00 0.00 H new ATOM 0 HD3 ARG B 549 12.602 25.788 6.478 1.00 0.00 H new ATOM 0 HE ARG B 549 11.788 26.647 9.207 1.00 0.00 H new ATOM 0 HH11 ARG B 549 14.332 26.937 6.769 1.00 0.00 H new ATOM 0 HH12 ARG B 549 15.552 27.275 8.002 1.00 0.00 H new ATOM 0 HH21 ARG B 549 13.412 26.957 10.675 1.00 0.00 H new ATOM 0 HH22 ARG B 549 15.054 27.286 10.112 1.00 0.00 H new TER 1200 ARG B 549