USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 384 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 508 GLN : amide:sc= -0.765 X(o=-0.77,f=-0.91) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -0.0519 K(o=-0.052,f=-0.67) USER MOD Single : A 514 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 HIS : no HD1:sc= -0.351 K(o=-0.35,f=-1.3) USER MOD Single : A 517 TYR OH : rot -165:sc= 0.844 USER MOD Single : A 519 THR OG1 : rot 180:sc=-0.00168 USER MOD Single : A 520 THR OG1 : rot 180:sc= 0 USER MOD Single : A 521 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 549 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-3.7!) USER MOD Single : A 550 ASN : amide:sc= -4.26! C(o=-4.3!,f=-6.4!) USER MOD Single : A 551 GLN : amide:sc= -6.18! C(o=-6.2!,f=-14!) USER MOD Single : A 560 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -18.952 4.323 -0.878 1.00 0.00 N ATOM 2 CA ALA A 507 -18.494 3.227 0.015 1.00 0.00 C ATOM 3 C ALA A 507 -17.622 2.233 -0.742 1.00 0.00 C ATOM 4 O ALA A 507 -17.880 1.926 -1.906 1.00 0.00 O ATOM 5 CB ALA A 507 -19.689 2.517 0.634 1.00 0.00 C ATOM 0 HA ALA A 507 -17.893 3.667 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -19.339 1.716 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -20.274 3.229 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -20.311 2.096 -0.156 1.00 0.00 H new ATOM 13 N GLN A 508 -16.587 1.732 -0.074 1.00 0.00 N ATOM 14 CA GLN A 508 -15.677 0.771 -0.685 1.00 0.00 C ATOM 15 C GLN A 508 -16.269 -0.637 -0.651 1.00 0.00 C ATOM 16 O GLN A 508 -17.205 -0.908 0.101 1.00 0.00 O ATOM 17 CB GLN A 508 -14.326 0.788 0.033 1.00 0.00 C ATOM 18 CG GLN A 508 -14.402 0.346 1.485 1.00 0.00 C ATOM 19 CD GLN A 508 -14.585 1.509 2.441 1.00 0.00 C ATOM 20 OE1 GLN A 508 -15.607 1.615 3.119 1.00 0.00 O ATOM 21 NE2 GLN A 508 -13.594 2.390 2.499 1.00 0.00 N ATOM 0 H GLN A 508 -16.358 1.976 0.890 1.00 0.00 H new ATOM 0 HA GLN A 508 -15.530 1.058 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -13.633 0.137 -0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -13.914 1.796 -0.010 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -15.231 -0.352 1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -13.491 -0.193 1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -12.764 2.263 1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -13.662 3.194 3.123 1.00 0.00 H new ATOM 30 N PRO A 509 -15.727 -1.556 -1.470 1.00 0.00 N ATOM 31 CA PRO A 509 -16.190 -2.930 -1.540 1.00 0.00 C ATOM 32 C PRO A 509 -15.392 -3.854 -0.628 1.00 0.00 C ATOM 33 O PRO A 509 -15.339 -5.065 -0.843 1.00 0.00 O ATOM 34 CB PRO A 509 -15.954 -3.287 -3.011 1.00 0.00 C ATOM 35 CG PRO A 509 -14.915 -2.320 -3.513 1.00 0.00 C ATOM 36 CD PRO A 509 -14.620 -1.343 -2.399 1.00 0.00 C ATOM 0 HA PRO A 509 -17.224 -3.041 -1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -15.610 -4.316 -3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -16.876 -3.201 -3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -14.009 -2.850 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -15.277 -1.794 -4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -13.656 -1.544 -1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -14.590 -0.315 -2.761 1.00 0.00 H new ATOM 44 N LYS A 510 -14.778 -3.271 0.395 1.00 0.00 N ATOM 45 CA LYS A 510 -13.987 -4.032 1.349 1.00 0.00 C ATOM 46 C LYS A 510 -12.835 -4.761 0.660 1.00 0.00 C ATOM 47 O LYS A 510 -12.765 -5.990 0.677 1.00 0.00 O ATOM 48 CB LYS A 510 -14.878 -5.033 2.080 1.00 0.00 C ATOM 49 CG LYS A 510 -15.730 -4.403 3.170 1.00 0.00 C ATOM 50 CD LYS A 510 -16.535 -5.450 3.923 1.00 0.00 C ATOM 51 CE LYS A 510 -15.760 -6.001 5.110 1.00 0.00 C ATOM 52 NZ LYS A 510 -16.665 -6.568 6.149 1.00 0.00 N ATOM 0 H LYS A 510 -14.814 -2.269 0.584 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.559 -3.334 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -15.531 -5.522 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -14.253 -5.809 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -15.089 -3.864 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -16.406 -3.671 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -17.470 -5.011 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -16.796 -6.265 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -15.072 -6.774 4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -15.155 -5.207 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -16.098 -6.933 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -17.305 -5.825 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -17.224 -7.342 5.737 1.00 0.00 H new ATOM 66 N CYS A 511 -11.929 -3.994 0.062 1.00 0.00 N ATOM 67 CA CYS A 511 -10.777 -4.569 -0.622 1.00 0.00 C ATOM 68 C CYS A 511 -9.511 -3.793 -0.281 1.00 0.00 C ATOM 69 O CYS A 511 -8.660 -3.566 -1.141 1.00 0.00 O ATOM 70 CB CYS A 511 -10.999 -4.578 -2.137 1.00 0.00 C ATOM 71 SG CYS A 511 -11.585 -2.991 -2.812 1.00 0.00 S ATOM 0 H CYS A 511 -11.970 -2.975 0.037 1.00 0.00 H new ATOM 0 HA CYS A 511 -10.658 -5.598 -0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -10.064 -4.847 -2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.723 -5.355 -2.383 1.00 0.00 H new ATOM 76 N ASN A 512 -9.394 -3.389 0.981 1.00 0.00 N ATOM 77 CA ASN A 512 -8.233 -2.638 1.445 1.00 0.00 C ATOM 78 C ASN A 512 -7.403 -3.474 2.415 1.00 0.00 C ATOM 79 O ASN A 512 -7.951 -4.220 3.227 1.00 0.00 O ATOM 80 CB ASN A 512 -8.678 -1.344 2.125 1.00 0.00 C ATOM 81 CG ASN A 512 -9.685 -1.586 3.231 1.00 0.00 C ATOM 82 OD1 ASN A 512 -9.337 -2.069 4.308 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.943 -1.252 2.970 1.00 0.00 N ATOM 0 H ASN A 512 -10.092 -3.570 1.702 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.617 -2.393 0.580 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -7.806 -0.835 2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -9.114 -0.678 1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -11.665 -1.393 3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -11.187 -0.854 2.063 1.00 0.00 H new ATOM 90 N PRO A 513 -6.062 -3.377 2.339 1.00 0.00 N ATOM 91 CA PRO A 513 -5.174 -4.139 3.203 1.00 0.00 C ATOM 92 C PRO A 513 -4.876 -3.438 4.536 1.00 0.00 C ATOM 93 O PRO A 513 -5.635 -3.576 5.495 1.00 0.00 O ATOM 94 CB PRO A 513 -3.919 -4.274 2.345 1.00 0.00 C ATOM 95 CG PRO A 513 -3.882 -3.028 1.520 1.00 0.00 C ATOM 96 CD PRO A 513 -5.307 -2.536 1.395 1.00 0.00 C ATOM 0 HA PRO A 513 -5.607 -5.091 3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -3.026 -4.365 2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -3.964 -5.163 1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -3.253 -2.272 1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -3.456 -3.229 0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -5.388 -1.479 1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -5.679 -2.647 0.377 1.00 0.00 H new ATOM 104 N ASN A 514 -3.765 -2.702 4.599 1.00 0.00 N ATOM 105 CA ASN A 514 -3.372 -2.005 5.818 1.00 0.00 C ATOM 106 C ASN A 514 -2.978 -0.569 5.525 1.00 0.00 C ATOM 107 O ASN A 514 -3.660 0.373 5.929 1.00 0.00 O ATOM 108 CB ASN A 514 -2.181 -2.711 6.451 1.00 0.00 C ATOM 109 CG ASN A 514 -2.591 -3.703 7.522 1.00 0.00 C ATOM 110 OD1 ASN A 514 -2.486 -3.423 8.717 1.00 0.00 O ATOM 111 ND2 ASN A 514 -3.061 -4.870 7.099 1.00 0.00 N ATOM 0 H ASN A 514 -3.123 -2.575 3.817 1.00 0.00 H new ATOM 0 HA ASN A 514 -4.226 -2.010 6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -1.618 -3.231 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -1.513 -1.968 6.886 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -3.352 -5.577 7.774 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -3.131 -5.060 6.099 1.00 0.00 H new ATOM 118 N LEU A 515 -1.856 -0.427 4.822 1.00 0.00 N ATOM 119 CA LEU A 515 -1.314 0.871 4.448 1.00 0.00 C ATOM 120 C LEU A 515 -1.511 1.900 5.555 1.00 0.00 C ATOM 121 O LEU A 515 -1.971 3.016 5.317 1.00 0.00 O ATOM 122 CB LEU A 515 -1.961 1.325 3.149 1.00 0.00 C ATOM 123 CG LEU A 515 -3.442 1.692 3.252 1.00 0.00 C ATOM 124 CD1 LEU A 515 -3.631 3.202 3.203 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.240 1.017 2.148 1.00 0.00 C ATOM 0 H LEU A 515 -1.297 -1.215 4.496 1.00 0.00 H new ATOM 0 HA LEU A 515 -0.239 0.776 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -1.414 2.190 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -1.850 0.531 2.410 1.00 0.00 H new ATOM 0 HG LEU A 515 -3.813 1.334 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -4.692 3.438 3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.097 3.663 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.239 3.587 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.291 1.291 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.864 1.340 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.138 -0.065 2.235 1.00 0.00 H new ATOM 137 N HIS A 516 -1.165 1.500 6.773 1.00 0.00 N ATOM 138 CA HIS A 516 -1.308 2.362 7.936 1.00 0.00 C ATOM 139 C HIS A 516 0.040 2.883 8.436 1.00 0.00 C ATOM 140 O HIS A 516 0.080 3.713 9.344 1.00 0.00 O ATOM 141 CB HIS A 516 -2.019 1.611 9.062 1.00 0.00 C ATOM 142 CG HIS A 516 -3.512 1.705 8.995 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.183 2.266 7.930 1.00 0.00 N ATOM 144 CD2 HIS A 516 -4.466 1.304 9.869 1.00 0.00 C ATOM 145 CE1 HIS A 516 -5.485 2.209 8.152 1.00 0.00 C ATOM 146 NE2 HIS A 516 -5.683 1.629 9.321 1.00 0.00 N ATOM 0 H HIS A 516 -0.781 0.578 6.980 1.00 0.00 H new ATOM 0 HA HIS A 516 -1.904 3.222 7.630 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -1.727 0.561 9.028 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -1.681 2.005 10.020 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -4.301 0.819 10.820 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -6.256 2.575 7.490 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -6.592 1.451 9.748 1.00 0.00 H new ATOM 155 N TYR A 517 1.147 2.403 7.862 1.00 0.00 N ATOM 156 CA TYR A 517 2.460 2.858 8.306 1.00 0.00 C ATOM 157 C TYR A 517 2.696 4.315 7.906 1.00 0.00 C ATOM 158 O TYR A 517 3.577 4.981 8.449 1.00 0.00 O ATOM 159 CB TYR A 517 3.578 1.934 7.782 1.00 0.00 C ATOM 160 CG TYR A 517 4.031 2.203 6.361 1.00 0.00 C ATOM 161 CD1 TYR A 517 4.623 3.409 6.012 1.00 0.00 C ATOM 162 CD2 TYR A 517 3.870 1.242 5.369 1.00 0.00 C ATOM 163 CE1 TYR A 517 5.035 3.654 4.721 1.00 0.00 C ATOM 164 CE2 TYR A 517 4.282 1.480 4.075 1.00 0.00 C ATOM 165 CZ TYR A 517 4.863 2.688 3.755 1.00 0.00 C ATOM 166 OH TYR A 517 5.274 2.932 2.465 1.00 0.00 O ATOM 0 H TYR A 517 1.159 1.717 7.108 1.00 0.00 H new ATOM 0 HA TYR A 517 2.485 2.808 9.395 1.00 0.00 H new ATOM 0 HB2 TYR A 517 4.440 2.024 8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 517 3.233 0.902 7.846 1.00 0.00 H new ATOM 0 HD1 TYR A 517 4.763 4.169 6.767 1.00 0.00 H new ATOM 0 HD2 TYR A 517 3.415 0.294 5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 517 5.491 4.600 4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 517 4.150 0.723 3.316 1.00 0.00 H new ATOM 0 HH TYR A 517 4.876 2.268 1.864 1.00 0.00 H new ATOM 176 N TRP A 518 1.889 4.809 6.969 1.00 0.00 N ATOM 177 CA TRP A 518 1.989 6.182 6.513 1.00 0.00 C ATOM 178 C TRP A 518 0.980 7.051 7.243 1.00 0.00 C ATOM 179 O TRP A 518 0.504 6.693 8.320 1.00 0.00 O ATOM 180 CB TRP A 518 1.780 6.259 5.006 1.00 0.00 C ATOM 181 CG TRP A 518 2.660 7.284 4.362 1.00 0.00 C ATOM 182 CD1 TRP A 518 2.270 8.264 3.507 1.00 0.00 C ATOM 183 CD2 TRP A 518 4.071 7.442 4.539 1.00 0.00 C ATOM 184 NE1 TRP A 518 3.352 9.019 3.124 1.00 0.00 N ATOM 185 CE2 TRP A 518 4.471 8.534 3.746 1.00 0.00 C ATOM 186 CE3 TRP A 518 5.036 6.765 5.286 1.00 0.00 C ATOM 187 CZ2 TRP A 518 5.794 8.962 3.681 1.00 0.00 C ATOM 188 CZ3 TRP A 518 6.349 7.190 5.223 1.00 0.00 C ATOM 189 CH2 TRP A 518 6.719 8.280 4.425 1.00 0.00 C ATOM 0 H TRP A 518 1.155 4.269 6.511 1.00 0.00 H new ATOM 0 HA TRP A 518 2.989 6.554 6.736 1.00 0.00 H new ATOM 0 HB2 TRP A 518 1.979 5.283 4.564 1.00 0.00 H new ATOM 0 HB3 TRP A 518 0.737 6.497 4.798 1.00 0.00 H new ATOM 0 HD1 TRP A 518 1.255 8.427 3.176 1.00 0.00 H new ATOM 0 HE1 TRP A 518 3.326 9.811 2.482 1.00 0.00 H new ATOM 0 HE3 TRP A 518 4.761 5.923 5.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 6.080 9.802 3.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 7.103 6.673 5.799 1.00 0.00 H new ATOM 0 HH2 TRP A 518 7.754 8.588 4.396 1.00 0.00 H new ATOM 200 N THR A 519 0.678 8.197 6.668 1.00 0.00 N ATOM 201 CA THR A 519 -0.253 9.128 7.276 1.00 0.00 C ATOM 202 C THR A 519 -1.421 9.438 6.341 1.00 0.00 C ATOM 203 O THR A 519 -2.452 9.952 6.775 1.00 0.00 O ATOM 204 CB THR A 519 0.495 10.406 7.655 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.357 11.538 7.601 1.00 0.00 O ATOM 206 CG2 THR A 519 1.688 10.677 6.761 1.00 0.00 C ATOM 0 H THR A 519 1.065 8.508 5.777 1.00 0.00 H new ATOM 0 HA THR A 519 -0.673 8.673 8.173 1.00 0.00 H new ATOM 0 HB THR A 519 0.847 10.242 8.673 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.148 12.340 7.850 1.00 0.00 H new ATOM 0 HG21 THR A 519 2.179 11.597 7.078 1.00 0.00 H new ATOM 0 HG22 THR A 519 2.391 9.847 6.831 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.353 10.782 5.729 1.00 0.00 H new ATOM 214 N THR A 520 -1.260 9.116 5.058 1.00 0.00 N ATOM 215 CA THR A 520 -2.314 9.359 4.075 1.00 0.00 C ATOM 216 C THR A 520 -1.892 8.894 2.684 1.00 0.00 C ATOM 217 O THR A 520 -2.643 8.207 1.993 1.00 0.00 O ATOM 218 CB THR A 520 -2.687 10.849 4.042 1.00 0.00 C ATOM 219 OG1 THR A 520 -4.030 11.018 3.626 1.00 0.00 O ATOM 220 CG2 THR A 520 -1.816 11.681 3.116 1.00 0.00 C ATOM 0 H THR A 520 -0.416 8.689 4.677 1.00 0.00 H new ATOM 0 HA THR A 520 -3.188 8.781 4.376 1.00 0.00 H new ATOM 0 HB THR A 520 -2.534 11.200 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 520 -4.251 11.973 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 520 -2.141 12.721 3.147 1.00 0.00 H new ATOM 0 HG22 THR A 520 -0.777 11.616 3.438 1.00 0.00 H new ATOM 0 HG23 THR A 520 -1.904 11.304 2.097 1.00 0.00 H new ATOM 228 N GLN A 521 -0.691 9.292 2.277 1.00 0.00 N ATOM 229 CA GLN A 521 -0.168 8.937 0.964 1.00 0.00 C ATOM 230 C GLN A 521 -0.354 7.455 0.667 1.00 0.00 C ATOM 231 O GLN A 521 -0.489 6.635 1.576 1.00 0.00 O ATOM 232 CB GLN A 521 1.313 9.304 0.864 1.00 0.00 C ATOM 233 CG GLN A 521 1.676 10.018 -0.428 1.00 0.00 C ATOM 234 CD GLN A 521 3.079 10.590 -0.404 1.00 0.00 C ATOM 235 OE1 GLN A 521 3.288 11.733 0.000 1.00 0.00 O ATOM 236 NE2 GLN A 521 4.050 9.795 -0.838 1.00 0.00 N ATOM 0 H GLN A 521 -0.060 9.862 2.840 1.00 0.00 H new ATOM 0 HA GLN A 521 -0.732 9.503 0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.579 9.940 1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 521 1.910 8.396 0.948 1.00 0.00 H new ATOM 0 HG2 GLN A 521 1.586 9.321 -1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 521 0.963 10.823 -0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 521 3.831 8.854 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 521 5.015 10.126 -0.845 1.00 0.00 H new ATOM 245 N ASP A 522 -0.358 7.126 -0.617 1.00 0.00 N ATOM 246 CA ASP A 522 -0.525 5.748 -1.063 1.00 0.00 C ATOM 247 C ASP A 522 0.492 4.822 -0.400 1.00 0.00 C ATOM 248 O ASP A 522 0.274 3.616 -0.297 1.00 0.00 O ATOM 249 CB ASP A 522 -0.396 5.672 -2.586 1.00 0.00 C ATOM 250 CG ASP A 522 -1.705 5.968 -3.291 1.00 0.00 C ATOM 251 OD1 ASP A 522 -2.766 5.585 -2.757 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.668 6.584 -4.377 1.00 0.00 O ATOM 0 H ASP A 522 -0.247 7.800 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 522 -1.521 5.415 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 522 0.362 6.381 -2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -0.050 4.678 -2.870 1.00 0.00 H new ATOM 257 N GLU A 523 1.600 5.400 0.048 1.00 0.00 N ATOM 258 CA GLU A 523 2.671 4.651 0.711 1.00 0.00 C ATOM 259 C GLU A 523 2.950 3.315 0.030 1.00 0.00 C ATOM 260 O GLU A 523 3.351 2.346 0.676 1.00 0.00 O ATOM 261 CB GLU A 523 2.345 4.427 2.187 1.00 0.00 C ATOM 262 CG GLU A 523 1.039 3.690 2.454 1.00 0.00 C ATOM 263 CD GLU A 523 1.099 2.219 2.090 1.00 0.00 C ATOM 264 OE1 GLU A 523 2.011 1.522 2.579 1.00 0.00 O ATOM 265 OE2 GLU A 523 0.229 1.764 1.317 1.00 0.00 O ATOM 0 H GLU A 523 1.785 6.400 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 523 3.573 5.257 0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 523 3.161 3.866 2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 523 2.307 5.395 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 523 0.784 3.787 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 523 0.238 4.166 1.888 1.00 0.00 H new ATOM 272 N GLY A 524 2.745 3.275 -1.274 1.00 0.00 N ATOM 273 CA GLY A 524 2.981 2.058 -2.027 1.00 0.00 C ATOM 274 C GLY A 524 1.722 1.521 -2.672 1.00 0.00 C ATOM 275 O GLY A 524 1.715 0.416 -3.211 1.00 0.00 O ATOM 0 H GLY A 524 2.418 4.065 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 524 3.726 2.251 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 524 3.397 1.300 -1.364 1.00 0.00 H new ATOM 279 N ALA A 525 0.656 2.309 -2.615 1.00 0.00 N ATOM 280 CA ALA A 525 -0.622 1.920 -3.196 1.00 0.00 C ATOM 281 C ALA A 525 -0.557 1.912 -4.723 1.00 0.00 C ATOM 282 O ALA A 525 -1.322 2.605 -5.393 1.00 0.00 O ATOM 283 CB ALA A 525 -1.719 2.860 -2.713 1.00 0.00 C ATOM 0 H ALA A 525 0.652 3.227 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 525 -0.852 0.906 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -2.672 2.563 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.788 2.810 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -1.483 3.880 -3.015 1.00 0.00 H new ATOM 289 N ALA A 526 0.364 1.123 -5.269 1.00 0.00 N ATOM 290 CA ALA A 526 0.535 1.022 -6.712 1.00 0.00 C ATOM 291 C ALA A 526 0.822 2.380 -7.327 1.00 0.00 C ATOM 292 O ALA A 526 -0.074 3.053 -7.838 1.00 0.00 O ATOM 293 CB ALA A 526 -0.688 0.393 -7.355 1.00 0.00 C ATOM 0 H ALA A 526 1.006 0.542 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 526 1.394 0.379 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -0.539 0.327 -8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -0.840 -0.607 -6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -1.565 1.006 -7.147 1.00 0.00 H new ATOM 299 N ILE A 527 2.081 2.777 -7.256 1.00 0.00 N ATOM 300 CA ILE A 527 2.516 4.049 -7.779 1.00 0.00 C ATOM 301 C ILE A 527 4.035 4.156 -7.721 1.00 0.00 C ATOM 302 O ILE A 527 4.687 4.451 -8.723 1.00 0.00 O ATOM 303 CB ILE A 527 1.873 5.186 -6.979 1.00 0.00 C ATOM 304 CG1 ILE A 527 2.405 6.550 -7.424 1.00 0.00 C ATOM 305 CG2 ILE A 527 2.102 4.963 -5.499 1.00 0.00 C ATOM 306 CD1 ILE A 527 1.456 7.693 -7.129 1.00 0.00 C ATOM 0 H ILE A 527 2.826 2.223 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 527 2.205 4.127 -8.821 1.00 0.00 H new ATOM 0 HB ILE A 527 0.800 5.184 -7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 527 3.356 6.740 -6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 527 2.605 6.521 -8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 527 1.643 5.774 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 527 1.655 4.015 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.173 4.940 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 527 1.897 8.629 -7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 527 0.512 7.526 -7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 527 1.275 7.748 -6.056 1.00 0.00 H new ATOM 318 N GLY A 528 4.595 3.896 -6.542 1.00 0.00 N ATOM 319 CA GLY A 528 6.036 3.948 -6.366 1.00 0.00 C ATOM 320 C GLY A 528 6.638 5.330 -6.587 1.00 0.00 C ATOM 321 O GLY A 528 7.759 5.591 -6.149 1.00 0.00 O ATOM 0 H GLY A 528 4.073 3.649 -5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 528 6.281 3.613 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 528 6.502 3.245 -7.057 1.00 0.00 H new ATOM 325 N ALA A 529 5.905 6.219 -7.262 1.00 0.00 N ATOM 326 CA ALA A 529 6.386 7.573 -7.532 1.00 0.00 C ATOM 327 C ALA A 529 7.846 7.569 -7.981 1.00 0.00 C ATOM 328 O ALA A 529 8.602 8.491 -7.675 1.00 0.00 O ATOM 329 CB ALA A 529 6.213 8.444 -6.297 1.00 0.00 C ATOM 0 H ALA A 529 4.975 6.023 -7.632 1.00 0.00 H new ATOM 0 HA ALA A 529 5.791 7.986 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 529 6.574 9.451 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 529 5.158 8.486 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 529 6.783 8.020 -5.470 1.00 0.00 H new ATOM 335 N ALA A 530 8.234 6.515 -8.700 1.00 0.00 N ATOM 336 CA ALA A 530 9.601 6.364 -9.191 1.00 0.00 C ATOM 337 C ALA A 530 9.821 4.932 -9.649 1.00 0.00 C ATOM 338 O ALA A 530 10.765 4.275 -9.213 1.00 0.00 O ATOM 339 CB ALA A 530 10.610 6.727 -8.105 1.00 0.00 C ATOM 0 H ALA A 530 7.613 5.748 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 530 9.748 7.042 -10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 530 11.621 6.607 -8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.459 7.762 -7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 530 10.471 6.071 -7.246 1.00 0.00 H new ATOM 345 N TRP A 531 8.921 4.449 -10.510 1.00 0.00 N ATOM 346 CA TRP A 531 8.974 3.077 -11.023 1.00 0.00 C ATOM 347 C TRP A 531 9.628 2.161 -10.025 1.00 0.00 C ATOM 348 O TRP A 531 10.488 1.344 -10.358 1.00 0.00 O ATOM 349 CB TRP A 531 9.708 3.005 -12.353 1.00 0.00 C ATOM 350 CG TRP A 531 10.849 3.967 -12.476 1.00 0.00 C ATOM 351 CD1 TRP A 531 11.892 4.109 -11.610 1.00 0.00 C ATOM 352 CD2 TRP A 531 11.065 4.916 -13.526 1.00 0.00 C ATOM 353 NE1 TRP A 531 12.744 5.091 -12.054 1.00 0.00 N ATOM 354 CE2 TRP A 531 12.259 5.601 -13.230 1.00 0.00 C ATOM 355 CE3 TRP A 531 10.366 5.253 -14.689 1.00 0.00 C ATOM 356 CZ2 TRP A 531 12.768 6.602 -14.053 1.00 0.00 C ATOM 357 CZ3 TRP A 531 10.872 6.247 -15.505 1.00 0.00 C ATOM 358 CH2 TRP A 531 12.063 6.911 -15.184 1.00 0.00 C ATOM 0 H TRP A 531 8.138 4.995 -10.870 1.00 0.00 H new ATOM 0 HA TRP A 531 7.947 2.751 -11.185 1.00 0.00 H new ATOM 0 HB2 TRP A 531 10.085 1.992 -12.493 1.00 0.00 H new ATOM 0 HB3 TRP A 531 8.998 3.195 -13.158 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.029 3.533 -10.706 1.00 0.00 H new ATOM 0 HE1 TRP A 531 13.598 5.392 -11.585 1.00 0.00 H new ATOM 0 HE3 TRP A 531 9.447 4.746 -14.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 13.686 7.116 -13.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 10.340 6.516 -16.406 1.00 0.00 H new ATOM 0 HH2 TRP A 531 12.432 7.683 -15.843 1.00 0.00 H new ATOM 369 N ILE A 532 9.217 2.327 -8.791 1.00 0.00 N ATOM 370 CA ILE A 532 9.745 1.562 -7.712 1.00 0.00 C ATOM 371 C ILE A 532 8.630 1.108 -6.774 1.00 0.00 C ATOM 372 O ILE A 532 8.883 0.800 -5.616 1.00 0.00 O ATOM 373 CB ILE A 532 10.751 2.429 -6.961 1.00 0.00 C ATOM 374 CG1 ILE A 532 11.527 1.611 -5.926 1.00 0.00 C ATOM 375 CG2 ILE A 532 10.017 3.596 -6.325 1.00 0.00 C ATOM 376 CD1 ILE A 532 12.697 2.352 -5.320 1.00 0.00 C ATOM 0 H ILE A 532 8.503 3.002 -8.517 1.00 0.00 H new ATOM 0 HA ILE A 532 10.234 0.668 -8.098 1.00 0.00 H new ATOM 0 HB ILE A 532 11.490 2.817 -7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 532 10.847 1.310 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 532 11.891 0.698 -6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 532 10.728 4.222 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 532 9.530 4.186 -7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 532 9.266 3.219 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 532 13.199 1.710 -4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 532 13.399 2.630 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 532 12.338 3.252 -4.820 1.00 0.00 H new ATOM 388 N PRO A 533 7.369 1.043 -7.253 1.00 0.00 N ATOM 389 CA PRO A 533 6.260 0.604 -6.415 1.00 0.00 C ATOM 390 C PRO A 533 6.436 -0.853 -6.025 1.00 0.00 C ATOM 391 O PRO A 533 5.838 -1.341 -5.066 1.00 0.00 O ATOM 392 CB PRO A 533 5.027 0.779 -7.301 1.00 0.00 C ATOM 393 CG PRO A 533 5.550 0.774 -8.694 1.00 0.00 C ATOM 394 CD PRO A 533 6.928 1.357 -8.627 1.00 0.00 C ATOM 0 HA PRO A 533 6.188 1.167 -5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 533 4.311 -0.028 -7.145 1.00 0.00 H new ATOM 0 HB3 PRO A 533 4.509 1.712 -7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 533 5.575 -0.239 -9.096 1.00 0.00 H new ATOM 0 HG3 PRO A 533 4.910 1.362 -9.352 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.588 0.913 -9.372 1.00 0.00 H new ATOM 0 HD3 PRO A 533 6.919 2.432 -8.810 1.00 0.00 H new ATOM 402 N TYR A 534 7.284 -1.532 -6.788 1.00 0.00 N ATOM 403 CA TYR A 534 7.593 -2.929 -6.566 1.00 0.00 C ATOM 404 C TYR A 534 8.095 -3.141 -5.140 1.00 0.00 C ATOM 405 O TYR A 534 7.500 -3.888 -4.365 1.00 0.00 O ATOM 406 CB TYR A 534 8.646 -3.377 -7.583 1.00 0.00 C ATOM 407 CG TYR A 534 8.193 -3.243 -9.027 1.00 0.00 C ATOM 408 CD1 TYR A 534 8.299 -2.033 -9.724 1.00 0.00 C ATOM 409 CD2 TYR A 534 7.653 -4.334 -9.696 1.00 0.00 C ATOM 410 CE1 TYR A 534 7.879 -1.931 -11.038 1.00 0.00 C ATOM 411 CE2 TYR A 534 7.234 -4.234 -11.009 1.00 0.00 C ATOM 412 CZ TYR A 534 7.349 -3.033 -11.674 1.00 0.00 C ATOM 413 OH TYR A 534 6.932 -2.932 -12.982 1.00 0.00 O ATOM 0 H TYR A 534 7.777 -1.122 -7.581 1.00 0.00 H new ATOM 0 HA TYR A 534 6.692 -3.528 -6.697 1.00 0.00 H new ATOM 0 HB2 TYR A 534 9.552 -2.788 -7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 534 8.908 -4.417 -7.388 1.00 0.00 H new ATOM 0 HD1 TYR A 534 8.714 -1.168 -9.229 1.00 0.00 H new ATOM 0 HD2 TYR A 534 7.559 -5.278 -9.180 1.00 0.00 H new ATOM 0 HE1 TYR A 534 7.966 -0.992 -11.564 1.00 0.00 H new ATOM 0 HE2 TYR A 534 6.818 -5.094 -11.512 1.00 0.00 H new ATOM 0 HH TYR A 534 6.585 -3.798 -13.282 1.00 0.00 H new ATOM 423 N PHE A 535 9.189 -2.466 -4.799 1.00 0.00 N ATOM 424 CA PHE A 535 9.765 -2.567 -3.463 1.00 0.00 C ATOM 425 C PHE A 535 10.055 -1.184 -2.873 1.00 0.00 C ATOM 426 O PHE A 535 10.694 -1.073 -1.827 1.00 0.00 O ATOM 427 CB PHE A 535 11.047 -3.395 -3.501 1.00 0.00 C ATOM 428 CG PHE A 535 10.832 -4.813 -3.948 1.00 0.00 C ATOM 429 CD1 PHE A 535 10.659 -5.111 -5.290 1.00 0.00 C ATOM 430 CD2 PHE A 535 10.803 -5.845 -3.026 1.00 0.00 C ATOM 431 CE1 PHE A 535 10.461 -6.414 -5.704 1.00 0.00 C ATOM 432 CE2 PHE A 535 10.605 -7.151 -3.433 1.00 0.00 C ATOM 433 CZ PHE A 535 10.434 -7.435 -4.774 1.00 0.00 C ATOM 0 H PHE A 535 9.694 -1.843 -5.430 1.00 0.00 H new ATOM 0 HA PHE A 535 9.035 -3.062 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 535 11.760 -2.915 -4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 535 11.497 -3.400 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 535 10.679 -4.316 -6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 535 10.937 -5.627 -1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 535 10.328 -6.634 -6.753 1.00 0.00 H new ATOM 0 HE2 PHE A 535 10.584 -7.948 -2.704 1.00 0.00 H new ATOM 0 HZ PHE A 535 10.279 -8.455 -5.095 1.00 0.00 H new ATOM 443 N GLY A 536 9.584 -0.136 -3.547 1.00 0.00 N ATOM 444 CA GLY A 536 9.803 1.223 -3.071 1.00 0.00 C ATOM 445 C GLY A 536 9.280 1.422 -1.667 1.00 0.00 C ATOM 446 O GLY A 536 9.874 0.936 -0.713 1.00 0.00 O ATOM 0 H GLY A 536 9.054 -0.203 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 536 10.869 1.449 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 536 9.312 1.926 -3.744 1.00 0.00 H new ATOM 450 N PRO A 537 8.129 2.087 -1.506 1.00 0.00 N ATOM 451 CA PRO A 537 7.510 2.292 -0.197 1.00 0.00 C ATOM 452 C PRO A 537 6.729 1.054 0.203 1.00 0.00 C ATOM 453 O PRO A 537 5.746 1.117 0.940 1.00 0.00 O ATOM 454 CB PRO A 537 6.561 3.443 -0.476 1.00 0.00 C ATOM 455 CG PRO A 537 6.079 3.118 -1.840 1.00 0.00 C ATOM 456 CD PRO A 537 7.293 2.640 -2.584 1.00 0.00 C ATOM 0 HA PRO A 537 8.218 2.487 0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 537 5.746 3.484 0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.067 4.408 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 537 5.307 2.349 -1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 537 5.641 3.992 -2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 537 7.041 1.886 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.794 3.453 -3.109 1.00 0.00 H new ATOM 464 N ALA A 538 7.187 -0.071 -0.314 1.00 0.00 N ATOM 465 CA ALA A 538 6.585 -1.351 -0.070 1.00 0.00 C ATOM 466 C ALA A 538 7.639 -2.280 0.491 1.00 0.00 C ATOM 467 O ALA A 538 7.333 -3.273 1.150 1.00 0.00 O ATOM 468 CB ALA A 538 6.021 -1.907 -1.367 1.00 0.00 C ATOM 0 H ALA A 538 8.003 -0.112 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 538 5.768 -1.254 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 538 5.565 -2.879 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 538 5.269 -1.223 -1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 538 6.825 -2.019 -2.095 1.00 0.00 H new ATOM 474 N ALA A 539 8.898 -1.940 0.215 1.00 0.00 N ATOM 475 CA ALA A 539 10.011 -2.738 0.688 1.00 0.00 C ATOM 476 C ALA A 539 11.313 -1.942 0.800 1.00 0.00 C ATOM 477 O ALA A 539 12.381 -2.529 0.974 1.00 0.00 O ATOM 478 CB ALA A 539 10.205 -3.945 -0.206 1.00 0.00 C ATOM 0 H ALA A 539 9.164 -1.121 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 539 9.759 -3.066 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.044 -4.537 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 539 9.301 -4.553 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 539 10.410 -3.614 -1.224 1.00 0.00 H new ATOM 484 N GLU A 540 11.234 -0.612 0.741 1.00 0.00 N ATOM 485 CA GLU A 540 12.430 0.221 0.883 1.00 0.00 C ATOM 486 C GLU A 540 12.832 0.245 2.348 1.00 0.00 C ATOM 487 O GLU A 540 12.871 1.296 2.989 1.00 0.00 O ATOM 488 CB GLU A 540 12.168 1.644 0.407 1.00 0.00 C ATOM 489 CG GLU A 540 11.055 2.345 1.168 1.00 0.00 C ATOM 490 CD GLU A 540 10.495 3.536 0.415 1.00 0.00 C ATOM 491 OE1 GLU A 540 10.700 3.611 -0.814 1.00 0.00 O ATOM 492 OE2 GLU A 540 9.853 4.394 1.057 1.00 0.00 O ATOM 0 H GLU A 540 10.367 -0.093 0.598 1.00 0.00 H new ATOM 0 HA GLU A 540 13.228 -0.199 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 540 13.085 2.225 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 540 11.915 1.623 -0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 540 10.252 1.635 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 540 11.434 2.676 2.135 1.00 0.00 H new ATOM 499 N GLY A 541 13.067 -0.938 2.882 1.00 0.00 N ATOM 500 CA GLY A 541 13.389 -1.073 4.283 1.00 0.00 C ATOM 501 C GLY A 541 12.150 -1.477 5.059 1.00 0.00 C ATOM 502 O GLY A 541 12.229 -1.920 6.204 1.00 0.00 O ATOM 0 H GLY A 541 13.040 -1.817 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 541 14.172 -1.820 4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 541 13.779 -0.131 4.668 1.00 0.00 H new ATOM 506 N ILE A 542 10.996 -1.324 4.402 1.00 0.00 N ATOM 507 CA ILE A 542 9.711 -1.667 4.979 1.00 0.00 C ATOM 508 C ILE A 542 9.643 -3.158 5.304 1.00 0.00 C ATOM 509 O ILE A 542 9.221 -3.544 6.393 1.00 0.00 O ATOM 510 CB ILE A 542 8.567 -1.269 4.010 1.00 0.00 C ATOM 511 CG1 ILE A 542 7.989 0.078 4.424 1.00 0.00 C ATOM 512 CG2 ILE A 542 7.468 -2.321 3.961 1.00 0.00 C ATOM 513 CD1 ILE A 542 7.289 0.797 3.298 1.00 0.00 C ATOM 0 H ILE A 542 10.936 -0.957 3.452 1.00 0.00 H new ATOM 0 HA ILE A 542 9.591 -1.112 5.910 1.00 0.00 H new ATOM 0 HB ILE A 542 8.989 -1.196 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 542 7.286 -0.072 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.792 0.709 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.688 -2.001 3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 542 7.886 -3.269 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 542 7.041 -2.448 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 542 6.901 1.749 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 542 7.995 0.978 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 542 6.465 0.185 2.932 1.00 0.00 H new ATOM 525 N TYR A 543 10.059 -3.990 4.348 1.00 0.00 N ATOM 526 CA TYR A 543 10.046 -5.445 4.520 1.00 0.00 C ATOM 527 C TYR A 543 10.560 -5.853 5.898 1.00 0.00 C ATOM 528 O TYR A 543 10.155 -6.881 6.441 1.00 0.00 O ATOM 529 CB TYR A 543 10.878 -6.120 3.433 1.00 0.00 C ATOM 530 CG TYR A 543 12.341 -5.769 3.495 1.00 0.00 C ATOM 531 CD1 TYR A 543 12.779 -4.509 3.124 1.00 0.00 C ATOM 532 CD2 TYR A 543 13.280 -6.693 3.926 1.00 0.00 C ATOM 533 CE1 TYR A 543 14.119 -4.175 3.178 1.00 0.00 C ATOM 534 CE2 TYR A 543 14.622 -6.371 3.984 1.00 0.00 C ATOM 535 CZ TYR A 543 15.037 -5.111 3.608 1.00 0.00 C ATOM 536 OH TYR A 543 16.373 -4.785 3.662 1.00 0.00 O ATOM 0 H TYR A 543 10.411 -3.680 3.442 1.00 0.00 H new ATOM 0 HA TYR A 543 9.010 -5.775 4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.767 -7.201 3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.485 -5.837 2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 543 12.062 -3.775 2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.957 -7.680 4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 543 14.445 -3.188 2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 543 15.342 -7.102 4.322 1.00 0.00 H new ATOM 0 HH TYR A 543 16.885 -5.555 3.987 1.00 0.00 H new ATOM 546 N ALA A 544 11.442 -5.034 6.469 1.00 0.00 N ATOM 547 CA ALA A 544 11.993 -5.303 7.795 1.00 0.00 C ATOM 548 C ALA A 544 10.881 -5.494 8.822 1.00 0.00 C ATOM 549 O ALA A 544 11.105 -6.029 9.908 1.00 0.00 O ATOM 550 CB ALA A 544 12.898 -4.165 8.221 1.00 0.00 C ATOM 0 H ALA A 544 11.790 -4.179 6.034 1.00 0.00 H new ATOM 0 HA ALA A 544 12.572 -6.225 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 544 13.304 -4.374 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 544 13.715 -4.063 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 544 12.326 -3.238 8.252 1.00 0.00 H new ATOM 556 N GLU A 545 9.679 -5.063 8.457 1.00 0.00 N ATOM 557 CA GLU A 545 8.511 -5.181 9.311 1.00 0.00 C ATOM 558 C GLU A 545 8.338 -6.624 9.743 1.00 0.00 C ATOM 559 O GLU A 545 8.118 -6.924 10.917 1.00 0.00 O ATOM 560 CB GLU A 545 7.272 -4.723 8.537 1.00 0.00 C ATOM 561 CG GLU A 545 7.215 -5.249 7.107 1.00 0.00 C ATOM 562 CD GLU A 545 6.438 -6.543 6.987 1.00 0.00 C ATOM 563 OE1 GLU A 545 5.210 -6.517 7.200 1.00 0.00 O ATOM 564 OE2 GLU A 545 7.056 -7.581 6.668 1.00 0.00 O ATOM 0 H GLU A 545 9.490 -4.621 7.557 1.00 0.00 H new ATOM 0 HA GLU A 545 8.641 -4.557 10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 545 6.380 -5.049 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.250 -3.633 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.758 -4.495 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 545 8.230 -5.405 6.742 1.00 0.00 H new ATOM 571 N GLY A 546 8.470 -7.511 8.773 1.00 0.00 N ATOM 572 CA GLY A 546 8.361 -8.929 9.027 1.00 0.00 C ATOM 573 C GLY A 546 7.111 -9.322 9.802 1.00 0.00 C ATOM 574 O GLY A 546 7.117 -10.327 10.512 1.00 0.00 O ATOM 0 H GLY A 546 8.654 -7.269 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 546 8.369 -9.460 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 546 9.239 -9.257 9.583 1.00 0.00 H new ATOM 578 N LEU A 547 6.037 -8.544 9.673 1.00 0.00 N ATOM 579 CA LEU A 547 4.797 -8.857 10.381 1.00 0.00 C ATOM 580 C LEU A 547 3.558 -8.529 9.545 1.00 0.00 C ATOM 581 O LEU A 547 2.608 -9.311 9.507 1.00 0.00 O ATOM 582 CB LEU A 547 4.745 -8.131 11.733 1.00 0.00 C ATOM 583 CG LEU A 547 4.261 -6.680 11.696 1.00 0.00 C ATOM 584 CD1 LEU A 547 3.859 -6.222 13.088 1.00 0.00 C ATOM 585 CD2 LEU A 547 5.342 -5.780 11.128 1.00 0.00 C ATOM 0 H LEU A 547 5.999 -7.705 9.094 1.00 0.00 H new ATOM 0 HA LEU A 547 4.791 -9.932 10.560 1.00 0.00 H new ATOM 0 HB2 LEU A 547 4.093 -8.694 12.401 1.00 0.00 H new ATOM 0 HB3 LEU A 547 5.743 -8.150 12.172 1.00 0.00 H new ATOM 0 HG LEU A 547 3.386 -6.619 11.049 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.517 -5.188 13.046 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.054 -6.856 13.461 1.00 0.00 H new ATOM 0 HD13 LEU A 547 4.717 -6.293 13.756 1.00 0.00 H new ATOM 0 HD21 LEU A 547 4.985 -4.750 11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 547 6.233 -5.842 11.753 1.00 0.00 H new ATOM 0 HD23 LEU A 547 5.586 -6.100 10.115 1.00 0.00 H new ATOM 597 N MET A 548 3.563 -7.377 8.878 1.00 0.00 N ATOM 598 CA MET A 548 2.422 -6.976 8.052 1.00 0.00 C ATOM 599 C MET A 548 2.628 -5.604 7.403 1.00 0.00 C ATOM 600 O MET A 548 2.000 -5.293 6.391 1.00 0.00 O ATOM 601 CB MET A 548 1.141 -6.962 8.891 1.00 0.00 C ATOM 602 CG MET A 548 0.239 -8.161 8.644 1.00 0.00 C ATOM 603 SD MET A 548 -1.509 -7.722 8.612 1.00 0.00 S ATOM 604 CE MET A 548 -2.158 -8.821 9.868 1.00 0.00 C ATOM 0 H MET A 548 4.334 -6.710 8.891 1.00 0.00 H new ATOM 0 HA MET A 548 2.332 -7.710 7.251 1.00 0.00 H new ATOM 0 HB2 MET A 548 1.409 -6.931 9.947 1.00 0.00 H new ATOM 0 HB3 MET A 548 0.585 -6.049 8.676 1.00 0.00 H new ATOM 0 HG2 MET A 548 0.510 -8.625 7.696 1.00 0.00 H new ATOM 0 HG3 MET A 548 0.408 -8.904 9.423 1.00 0.00 H new ATOM 0 HE1 MET A 548 -3.233 -8.668 9.966 1.00 0.00 H new ATOM 0 HE2 MET A 548 -1.963 -9.855 9.583 1.00 0.00 H new ATOM 0 HE3 MET A 548 -1.674 -8.610 10.821 1.00 0.00 H new ATOM 614 N HIS A 549 3.497 -4.784 7.987 1.00 0.00 N ATOM 615 CA HIS A 549 3.763 -3.447 7.461 1.00 0.00 C ATOM 616 C HIS A 549 4.213 -3.477 5.994 1.00 0.00 C ATOM 617 O HIS A 549 4.263 -2.437 5.338 1.00 0.00 O ATOM 618 CB HIS A 549 4.811 -2.739 8.323 1.00 0.00 C ATOM 619 CG HIS A 549 4.230 -1.704 9.235 1.00 0.00 C ATOM 620 ND1 HIS A 549 3.023 -1.082 8.993 1.00 0.00 N ATOM 621 CD2 HIS A 549 4.688 -1.191 10.400 1.00 0.00 C ATOM 622 CE1 HIS A 549 2.765 -0.233 9.968 1.00 0.00 C ATOM 623 NE2 HIS A 549 3.758 -0.279 10.836 1.00 0.00 N ATOM 0 H HIS A 549 4.029 -5.021 8.824 1.00 0.00 H new ATOM 0 HA HIS A 549 2.826 -2.891 7.499 1.00 0.00 H new ATOM 0 HB2 HIS A 549 5.342 -3.481 8.919 1.00 0.00 H new ATOM 0 HB3 HIS A 549 5.547 -2.267 7.672 1.00 0.00 H new ATOM 0 HD2 HIS A 549 5.612 -1.450 10.895 1.00 0.00 H new ATOM 0 HE1 HIS A 549 1.889 0.394 10.044 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.824 0.273 11.691 1.00 0.00 H new ATOM 632 N ASN A 550 4.536 -4.665 5.476 1.00 0.00 N ATOM 633 CA ASN A 550 4.971 -4.807 4.085 1.00 0.00 C ATOM 634 C ASN A 550 3.837 -4.505 3.096 1.00 0.00 C ATOM 635 O ASN A 550 4.020 -4.621 1.885 1.00 0.00 O ATOM 636 CB ASN A 550 5.500 -6.223 3.838 1.00 0.00 C ATOM 637 CG ASN A 550 6.901 -6.227 3.260 1.00 0.00 C ATOM 638 OD1 ASN A 550 7.348 -5.237 2.680 1.00 0.00 O ATOM 639 ND2 ASN A 550 7.603 -7.344 3.417 1.00 0.00 N ATOM 0 H ASN A 550 4.504 -5.541 5.998 1.00 0.00 H new ATOM 0 HA ASN A 550 5.766 -4.081 3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 550 5.496 -6.778 4.776 1.00 0.00 H new ATOM 0 HB3 ASN A 550 4.828 -6.745 3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 550 8.553 -7.405 3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 550 7.192 -8.140 3.905 1.00 0.00 H new ATOM 646 N GLN A 551 2.670 -4.128 3.615 1.00 0.00 N ATOM 647 CA GLN A 551 1.508 -3.820 2.783 1.00 0.00 C ATOM 648 C GLN A 551 1.869 -2.921 1.600 1.00 0.00 C ATOM 649 O GLN A 551 2.992 -2.427 1.496 1.00 0.00 O ATOM 650 CB GLN A 551 0.444 -3.126 3.631 1.00 0.00 C ATOM 651 CG GLN A 551 0.963 -1.879 4.331 1.00 0.00 C ATOM 652 CD GLN A 551 0.650 -1.859 5.814 1.00 0.00 C ATOM 653 OE1 GLN A 551 0.275 -0.824 6.365 1.00 0.00 O ATOM 654 NE2 GLN A 551 0.805 -3.003 6.473 1.00 0.00 N ATOM 0 H GLN A 551 2.503 -4.028 4.616 1.00 0.00 H new ATOM 0 HA GLN A 551 1.129 -4.762 2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -0.399 -2.855 2.996 1.00 0.00 H new ATOM 0 HB3 GLN A 551 0.069 -3.826 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 551 2.042 -1.814 4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 551 0.527 -0.997 3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 551 1.118 -3.838 5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 551 0.611 -3.046 7.473 1.00 0.00 H new ATOM 663 N ASP A 552 0.895 -2.710 0.718 1.00 0.00 N ATOM 664 CA ASP A 552 1.081 -1.866 -0.458 1.00 0.00 C ATOM 665 C ASP A 552 -0.001 -0.794 -0.519 1.00 0.00 C ATOM 666 O ASP A 552 0.289 0.382 -0.730 1.00 0.00 O ATOM 667 CB ASP A 552 1.054 -2.715 -1.731 1.00 0.00 C ATOM 668 CG ASP A 552 2.139 -2.318 -2.714 1.00 0.00 C ATOM 669 OD1 ASP A 552 3.297 -2.142 -2.280 1.00 0.00 O ATOM 670 OD2 ASP A 552 1.830 -2.182 -3.916 1.00 0.00 O ATOM 0 H ASP A 552 -0.038 -3.116 0.797 1.00 0.00 H new ATOM 0 HA ASP A 552 2.053 -1.378 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 552 1.174 -3.766 -1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 552 0.080 -2.616 -2.210 1.00 0.00 H new ATOM 675 N GLY A 553 -1.248 -1.204 -0.318 1.00 0.00 N ATOM 676 CA GLY A 553 -2.349 -0.258 -0.342 1.00 0.00 C ATOM 677 C GLY A 553 -3.333 -0.508 -1.468 1.00 0.00 C ATOM 678 O GLY A 553 -3.792 0.433 -2.116 1.00 0.00 O ATOM 0 H GLY A 553 -1.516 -2.172 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -2.878 -0.303 0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -1.949 0.752 -0.436 1.00 0.00 H new ATOM 682 N LEU A 554 -3.673 -1.772 -1.696 1.00 0.00 N ATOM 683 CA LEU A 554 -4.625 -2.124 -2.743 1.00 0.00 C ATOM 684 C LEU A 554 -6.020 -1.646 -2.363 1.00 0.00 C ATOM 685 O LEU A 554 -6.659 -2.204 -1.473 1.00 0.00 O ATOM 686 CB LEU A 554 -4.632 -3.636 -2.986 1.00 0.00 C ATOM 687 CG LEU A 554 -4.830 -4.500 -1.737 1.00 0.00 C ATOM 688 CD1 LEU A 554 -6.296 -4.865 -1.557 1.00 0.00 C ATOM 689 CD2 LEU A 554 -3.971 -5.755 -1.816 1.00 0.00 C ATOM 0 H LEU A 554 -3.305 -2.567 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 554 -4.319 -1.631 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -5.424 -3.869 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -3.689 -3.916 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 554 -4.517 -3.920 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.411 -5.479 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.887 -3.955 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.642 -5.423 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -4.124 -6.357 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -4.253 -6.334 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -2.921 -5.473 -1.889 1.00 0.00 H new ATOM 701 N ILE A 555 -6.485 -0.606 -3.041 1.00 0.00 N ATOM 702 CA ILE A 555 -7.794 -0.044 -2.776 1.00 0.00 C ATOM 703 C ILE A 555 -8.540 0.200 -4.078 1.00 0.00 C ATOM 704 O ILE A 555 -8.157 1.050 -4.883 1.00 0.00 O ATOM 705 CB ILE A 555 -7.691 1.280 -1.995 1.00 0.00 C ATOM 706 CG1 ILE A 555 -6.714 1.149 -0.827 1.00 0.00 C ATOM 707 CG2 ILE A 555 -9.064 1.713 -1.502 1.00 0.00 C ATOM 708 CD1 ILE A 555 -7.007 -0.021 0.078 1.00 0.00 C ATOM 0 H ILE A 555 -5.968 -0.134 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 555 -8.341 -0.765 -2.169 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.308 2.046 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -5.702 1.049 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.738 2.067 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -8.974 2.650 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.729 1.855 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.474 0.945 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.273 -0.051 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.006 0.087 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.954 -0.947 -0.495 1.00 0.00 H new ATOM 720 N CYS A 556 -9.599 -0.562 -4.277 1.00 0.00 N ATOM 721 CA CYS A 556 -10.412 -0.457 -5.484 1.00 0.00 C ATOM 722 C CYS A 556 -10.958 0.956 -5.654 1.00 0.00 C ATOM 723 O CYS A 556 -11.128 1.433 -6.777 1.00 0.00 O ATOM 724 CB CYS A 556 -11.576 -1.454 -5.430 1.00 0.00 C ATOM 725 SG CYS A 556 -11.132 -3.103 -4.790 1.00 0.00 S ATOM 0 H CYS A 556 -9.922 -1.267 -3.615 1.00 0.00 H new ATOM 0 HA CYS A 556 -9.775 -0.690 -6.338 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.366 -1.037 -4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -11.988 -1.566 -6.433 1.00 0.00 H new ATOM 730 N GLY A 557 -11.234 1.623 -4.539 1.00 0.00 N ATOM 731 CA GLY A 557 -11.759 2.971 -4.597 1.00 0.00 C ATOM 732 C GLY A 557 -13.258 2.996 -4.432 1.00 0.00 C ATOM 733 O GLY A 557 -13.821 3.953 -3.901 1.00 0.00 O ATOM 0 H GLY A 557 -11.103 1.253 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.297 3.575 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.491 3.425 -5.551 1.00 0.00 H new ATOM 737 N LEU A 558 -13.905 1.935 -4.897 1.00 0.00 N ATOM 738 CA LEU A 558 -15.346 1.825 -4.812 1.00 0.00 C ATOM 739 C LEU A 558 -15.820 0.480 -5.345 1.00 0.00 C ATOM 740 O LEU A 558 -16.732 -0.131 -4.796 1.00 0.00 O ATOM 741 CB LEU A 558 -15.993 2.950 -5.616 1.00 0.00 C ATOM 742 CG LEU A 558 -15.790 2.865 -7.136 1.00 0.00 C ATOM 743 CD1 LEU A 558 -16.959 3.506 -7.867 1.00 0.00 C ATOM 744 CD2 LEU A 558 -14.476 3.523 -7.538 1.00 0.00 C ATOM 0 H LEU A 558 -13.447 1.137 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 558 -15.637 1.904 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -17.063 2.955 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -15.595 3.902 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 558 -15.745 1.813 -7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -16.798 3.436 -8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -17.881 2.988 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -17.037 4.554 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -14.350 3.453 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -14.489 4.572 -7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -13.648 3.016 -7.042 1.00 0.00 H new ATOM 756 N ARG A 559 -15.187 0.051 -6.431 1.00 0.00 N ATOM 757 CA ARG A 559 -15.503 -1.201 -7.106 1.00 0.00 C ATOM 758 C ARG A 559 -14.880 -1.179 -8.489 1.00 0.00 C ATOM 759 O ARG A 559 -15.361 -0.480 -9.382 1.00 0.00 O ATOM 760 CB ARG A 559 -17.009 -1.397 -7.253 1.00 0.00 C ATOM 761 CG ARG A 559 -17.643 -2.181 -6.119 1.00 0.00 C ATOM 762 CD ARG A 559 -18.916 -1.509 -5.628 1.00 0.00 C ATOM 763 NE ARG A 559 -20.046 -1.763 -6.519 1.00 0.00 N ATOM 764 CZ ARG A 559 -20.774 -2.878 -6.494 1.00 0.00 C ATOM 765 NH1 ARG A 559 -20.495 -3.844 -5.628 1.00 0.00 N ATOM 766 NH2 ARG A 559 -21.785 -3.026 -7.340 1.00 0.00 N ATOM 0 H ARG A 559 -14.429 0.571 -6.873 1.00 0.00 H new ATOM 0 HA ARG A 559 -15.107 -2.021 -6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -17.488 -0.420 -7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -17.208 -1.912 -8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.870 -3.193 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -16.935 -2.270 -5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.154 -1.870 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.751 -0.434 -5.548 1.00 0.00 H new ATOM 0 HE ARG A 559 -20.292 -1.044 -7.200 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -19.719 -3.735 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -21.057 -4.695 -5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -22.003 -2.287 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -22.344 -3.879 -7.323 1.00 0.00 H new ATOM 780 N GLN A 560 -13.810 -1.926 -8.664 1.00 0.00 N ATOM 781 CA GLN A 560 -13.131 -1.962 -9.948 1.00 0.00 C ATOM 782 C GLN A 560 -12.958 -3.394 -10.442 1.00 0.00 C ATOM 783 O GLN A 560 -12.771 -4.293 -9.594 1.00 0.00 O ATOM 784 CB GLN A 560 -11.772 -1.270 -9.844 1.00 0.00 C ATOM 785 CG GLN A 560 -10.876 -1.850 -8.761 1.00 0.00 C ATOM 786 CD GLN A 560 -9.710 -2.638 -9.327 1.00 0.00 C ATOM 787 OE1 GLN A 560 -9.645 -2.895 -10.529 1.00 0.00 O ATOM 788 NE2 GLN A 560 -8.782 -3.025 -8.461 1.00 0.00 N ATOM 789 OXT GLN A 560 -13.013 -3.607 -11.671 1.00 0.00 O ATOM 0 H GLN A 560 -13.392 -2.513 -7.942 1.00 0.00 H new ATOM 0 HA GLN A 560 -13.748 -1.430 -10.672 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -11.262 -1.343 -10.804 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -11.928 -0.209 -9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -10.494 -1.041 -8.139 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -11.467 -2.498 -8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -8.877 -2.790 -7.473 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -7.974 -3.558 -8.783 1.00 0.00 H new TER 798 GLN A 560