USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 390 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= -0.0272 K(o=-0.027,f=-0.88) USER MOD Single : A 510 LYS NZ :NH3+ 172:sc= -0.184 (180deg=-0.308) USER MOD Single : A 512 ASN : amide:sc= -2.29 K(o=-2.3,f=-8.3!) USER MOD Single : A 514 ASN : amide:sc= -0.0205 X(o=-0.021,f=-0.011) USER MOD Single : A 516 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.44) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -149:sc= -1.16! USER MOD Single : A 520 THR OG1 : rot 51:sc= 1.12 USER MOD Single : A 521 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.096) 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= -2.44 K(o=-2.4,f=-5!) USER MOD Single : A 550 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 551 GLN : amide:sc= -3.74! K(o=-3.7!,f=-2.5) USER MOD Single : A 560 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -19.977 3.467 -1.783 1.00 0.00 N ATOM 2 CA ALA A 507 -18.633 3.176 -2.347 1.00 0.00 C ATOM 3 C ALA A 507 -18.254 1.720 -2.142 1.00 0.00 C ATOM 4 O ALA A 507 -18.430 1.169 -1.056 1.00 0.00 O ATOM 5 CB ALA A 507 -17.582 4.060 -1.704 1.00 0.00 C ATOM 0 HA ALA A 507 -18.677 3.381 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -16.605 3.832 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -17.824 5.107 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -17.561 3.878 -0.630 1.00 0.00 H new ATOM 13 N GLN A 508 -17.709 1.104 -3.183 1.00 0.00 N ATOM 14 CA GLN A 508 -17.284 -0.282 -3.095 1.00 0.00 C ATOM 15 C GLN A 508 -15.846 -0.436 -3.575 1.00 0.00 C ATOM 16 O GLN A 508 -15.597 -0.907 -4.684 1.00 0.00 O ATOM 17 CB GLN A 508 -18.213 -1.182 -3.910 1.00 0.00 C ATOM 18 CG GLN A 508 -19.638 -1.225 -3.382 1.00 0.00 C ATOM 19 CD GLN A 508 -19.795 -2.165 -2.203 1.00 0.00 C ATOM 20 OE1 GLN A 508 -19.176 -3.229 -2.155 1.00 0.00 O ATOM 21 NE2 GLN A 508 -20.625 -1.776 -1.242 1.00 0.00 N ATOM 0 H GLN A 508 -17.553 1.541 -4.091 1.00 0.00 H new ATOM 0 HA GLN A 508 -17.334 -0.586 -2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -18.228 -0.834 -4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -17.808 -2.194 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -19.942 -0.221 -3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -20.309 -1.537 -4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -21.117 -0.886 -1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -20.770 -2.367 -0.423 1.00 0.00 H new ATOM 30 N PRO A 509 -14.876 -0.043 -2.734 1.00 0.00 N ATOM 31 CA PRO A 509 -13.453 -0.141 -3.063 1.00 0.00 C ATOM 32 C PRO A 509 -12.980 -1.589 -3.096 1.00 0.00 C ATOM 33 O PRO A 509 -12.602 -2.110 -4.145 1.00 0.00 O ATOM 34 CB PRO A 509 -12.756 0.617 -1.921 1.00 0.00 C ATOM 35 CG PRO A 509 -13.841 1.337 -1.193 1.00 0.00 C ATOM 36 CD PRO A 509 -15.085 0.529 -1.398 1.00 0.00 C ATOM 0 HA PRO A 509 -13.235 0.267 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -12.230 -0.070 -1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -12.015 1.315 -2.310 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -13.605 1.428 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.965 2.349 -1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -15.196 -0.245 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -15.982 1.147 -1.357 1.00 0.00 H new ATOM 44 N LYS A 510 -13.015 -2.227 -1.931 1.00 0.00 N ATOM 45 CA LYS A 510 -12.601 -3.618 -1.791 1.00 0.00 C ATOM 46 C LYS A 510 -12.703 -4.059 -0.338 1.00 0.00 C ATOM 47 O LYS A 510 -13.035 -5.208 -0.040 1.00 0.00 O ATOM 48 CB LYS A 510 -11.172 -3.814 -2.310 1.00 0.00 C ATOM 49 CG LYS A 510 -10.096 -3.178 -1.441 1.00 0.00 C ATOM 50 CD LYS A 510 -9.848 -1.729 -1.829 1.00 0.00 C ATOM 51 CE LYS A 510 -9.080 -0.986 -0.747 1.00 0.00 C ATOM 52 NZ LYS A 510 -9.987 -0.219 0.150 1.00 0.00 N ATOM 0 H LYS A 510 -13.330 -1.797 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.270 -4.236 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -10.971 -4.882 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -11.103 -3.398 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -10.396 -3.229 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.169 -3.744 -1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -9.289 -1.692 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -10.801 -1.231 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.503 -1.698 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.367 -0.305 -1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -9.443 0.162 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -10.418 0.565 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -10.735 -0.847 0.507 1.00 0.00 H new ATOM 66 N CYS A 511 -12.421 -3.125 0.553 1.00 0.00 N ATOM 67 CA CYS A 511 -12.477 -3.368 1.991 1.00 0.00 C ATOM 68 C CYS A 511 -11.846 -4.712 2.360 1.00 0.00 C ATOM 69 O CYS A 511 -12.496 -5.581 2.941 1.00 0.00 O ATOM 70 CB CYS A 511 -13.926 -3.299 2.474 1.00 0.00 C ATOM 71 SG CYS A 511 -14.294 -1.842 3.505 1.00 0.00 S ATOM 0 H CYS A 511 -12.146 -2.175 0.304 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.898 -2.591 2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -14.587 -3.295 1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.152 -4.201 3.043 1.00 0.00 H new ATOM 76 N ASN A 512 -10.570 -4.864 2.022 1.00 0.00 N ATOM 77 CA ASN A 512 -9.836 -6.086 2.320 1.00 0.00 C ATOM 78 C ASN A 512 -8.548 -5.757 3.067 1.00 0.00 C ATOM 79 O ASN A 512 -7.482 -5.655 2.463 1.00 0.00 O ATOM 80 CB ASN A 512 -9.517 -6.845 1.031 1.00 0.00 C ATOM 81 CG ASN A 512 -8.883 -5.957 -0.022 1.00 0.00 C ATOM 82 OD1 ASN A 512 -8.467 -4.834 0.264 1.00 0.00 O ATOM 83 ND2 ASN A 512 -8.808 -6.457 -1.250 1.00 0.00 N ATOM 0 H ASN A 512 -10.022 -4.152 1.539 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.459 -6.719 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -8.845 -7.673 1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -10.434 -7.279 0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -8.393 -5.905 -2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -9.165 -7.393 -1.442 1.00 0.00 H new ATOM 90 N PRO A 513 -8.634 -5.583 4.400 1.00 0.00 N ATOM 91 CA PRO A 513 -7.475 -5.254 5.241 1.00 0.00 C ATOM 92 C PRO A 513 -6.562 -6.449 5.504 1.00 0.00 C ATOM 93 O PRO A 513 -5.802 -6.457 6.472 1.00 0.00 O ATOM 94 CB PRO A 513 -8.118 -4.775 6.542 1.00 0.00 C ATOM 95 CG PRO A 513 -9.417 -5.502 6.612 1.00 0.00 C ATOM 96 CD PRO A 513 -9.875 -5.694 5.189 1.00 0.00 C ATOM 0 HA PRO A 513 -6.827 -4.519 4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -7.489 -5.004 7.402 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.268 -3.695 6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.298 -6.462 7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.151 -4.932 7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -10.352 -6.664 5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -10.603 -4.937 4.898 1.00 0.00 H new ATOM 104 N ASN A 514 -6.632 -7.452 4.637 1.00 0.00 N ATOM 105 CA ASN A 514 -5.806 -8.641 4.774 1.00 0.00 C ATOM 106 C ASN A 514 -4.558 -8.533 3.898 1.00 0.00 C ATOM 107 O ASN A 514 -3.529 -9.142 4.189 1.00 0.00 O ATOM 108 CB ASN A 514 -6.620 -9.884 4.401 1.00 0.00 C ATOM 109 CG ASN A 514 -5.771 -11.138 4.303 1.00 0.00 C ATOM 110 OD1 ASN A 514 -5.815 -11.855 3.304 1.00 0.00 O ATOM 111 ND2 ASN A 514 -4.994 -11.409 5.346 1.00 0.00 N ATOM 0 H ASN A 514 -7.255 -7.463 3.830 1.00 0.00 H new ATOM 0 HA ASN A 514 -5.484 -8.729 5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.401 -10.037 5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.118 -9.713 3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -4.402 -12.240 5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -4.989 -10.786 6.154 1.00 0.00 H new ATOM 118 N LEU A 515 -4.658 -7.751 2.826 1.00 0.00 N ATOM 119 CA LEU A 515 -3.539 -7.559 1.910 1.00 0.00 C ATOM 120 C LEU A 515 -2.760 -6.293 2.260 1.00 0.00 C ATOM 121 O LEU A 515 -2.828 -5.292 1.546 1.00 0.00 O ATOM 122 CB LEU A 515 -4.044 -7.481 0.469 1.00 0.00 C ATOM 123 CG LEU A 515 -4.913 -8.658 0.023 1.00 0.00 C ATOM 124 CD1 LEU A 515 -5.597 -8.345 -1.298 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.077 -9.923 -0.093 1.00 0.00 C ATOM 0 H LEU A 515 -5.503 -7.240 2.571 1.00 0.00 H new ATOM 0 HA LEU A 515 -2.869 -8.413 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -4.616 -6.561 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.185 -7.410 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.683 -8.824 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.211 -9.194 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.228 -7.464 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.843 -8.153 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -4.711 -10.750 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.285 -9.770 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -3.635 -10.157 0.875 1.00 0.00 H new ATOM 137 N HIS A 516 -2.025 -6.345 3.366 1.00 0.00 N ATOM 138 CA HIS A 516 -1.234 -5.203 3.818 1.00 0.00 C ATOM 139 C HIS A 516 0.009 -4.996 2.950 1.00 0.00 C ATOM 140 O HIS A 516 0.724 -4.007 3.109 1.00 0.00 O ATOM 141 CB HIS A 516 -0.819 -5.395 5.277 1.00 0.00 C ATOM 142 CG HIS A 516 -0.192 -6.728 5.550 1.00 0.00 C ATOM 143 ND1 HIS A 516 -0.826 -7.729 6.256 1.00 0.00 N ATOM 144 CD2 HIS A 516 1.019 -7.224 5.204 1.00 0.00 C ATOM 145 CE1 HIS A 516 -0.032 -8.781 6.334 1.00 0.00 C ATOM 146 NE2 HIS A 516 1.093 -8.501 5.703 1.00 0.00 N ATOM 0 H HIS A 516 -1.960 -7.166 3.967 1.00 0.00 H new ATOM 0 HA HIS A 516 -1.858 -4.314 3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -0.116 -4.609 5.553 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -1.696 -5.277 5.914 1.00 0.00 H new ATOM 0 HD2 HIS A 516 1.784 -6.711 4.641 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -0.264 -9.712 6.830 1.00 0.00 H new ATOM 0 HE2 HIS A 516 1.889 -9.131 5.602 1.00 0.00 H new ATOM 155 N TYR A 517 0.269 -5.934 2.044 1.00 0.00 N ATOM 156 CA TYR A 517 1.434 -5.848 1.169 1.00 0.00 C ATOM 157 C TYR A 517 1.265 -4.770 0.099 1.00 0.00 C ATOM 158 O TYR A 517 2.065 -3.839 0.014 1.00 0.00 O ATOM 159 CB TYR A 517 1.692 -7.201 0.503 1.00 0.00 C ATOM 160 CG TYR A 517 1.953 -8.321 1.485 1.00 0.00 C ATOM 161 CD1 TYR A 517 3.158 -8.399 2.172 1.00 0.00 C ATOM 162 CD2 TYR A 517 0.996 -9.298 1.726 1.00 0.00 C ATOM 163 CE1 TYR A 517 3.402 -9.421 3.071 1.00 0.00 C ATOM 164 CE2 TYR A 517 1.232 -10.322 2.623 1.00 0.00 C ATOM 165 CZ TYR A 517 2.436 -10.380 3.292 1.00 0.00 C ATOM 166 OH TYR A 517 2.674 -11.398 4.187 1.00 0.00 O ATOM 0 H TYR A 517 -0.310 -6.761 1.897 1.00 0.00 H new ATOM 0 HA TYR A 517 2.288 -5.573 1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.832 -7.463 -0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.547 -7.110 -0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 517 3.916 -7.649 2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 517 0.052 -9.257 1.204 1.00 0.00 H new ATOM 0 HE1 TYR A 517 4.344 -9.468 3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 517 0.477 -11.074 2.799 1.00 0.00 H new ATOM 0 HH TYR A 517 1.893 -11.988 4.227 1.00 0.00 H new ATOM 176 N TRP A 518 0.233 -4.914 -0.728 1.00 0.00 N ATOM 177 CA TRP A 518 -0.023 -3.965 -1.809 1.00 0.00 C ATOM 178 C TRP A 518 -0.720 -2.702 -1.310 1.00 0.00 C ATOM 179 O TRP A 518 -0.651 -1.658 -1.956 1.00 0.00 O ATOM 180 CB TRP A 518 -0.864 -4.630 -2.900 1.00 0.00 C ATOM 181 CG TRP A 518 -0.053 -5.121 -4.061 1.00 0.00 C ATOM 182 CD1 TRP A 518 -0.318 -4.925 -5.386 1.00 0.00 C ATOM 183 CD2 TRP A 518 1.154 -5.892 -4.002 1.00 0.00 C ATOM 184 NE1 TRP A 518 0.652 -5.523 -6.155 1.00 0.00 N ATOM 185 CE2 TRP A 518 1.566 -6.123 -5.328 1.00 0.00 C ATOM 186 CE3 TRP A 518 1.929 -6.407 -2.958 1.00 0.00 C ATOM 187 CZ2 TRP A 518 2.715 -6.845 -5.638 1.00 0.00 C ATOM 188 CZ3 TRP A 518 3.070 -7.125 -3.267 1.00 0.00 C ATOM 189 CH2 TRP A 518 3.453 -7.338 -4.597 1.00 0.00 C ATOM 0 H TRP A 518 -0.440 -5.678 -0.671 1.00 0.00 H new ATOM 0 HA TRP A 518 0.942 -3.667 -2.219 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.410 -5.468 -2.467 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -1.607 -3.918 -3.260 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -1.166 -4.380 -5.773 1.00 0.00 H new ATOM 0 HE1 TRP A 518 0.686 -5.521 -7.174 1.00 0.00 H new ATOM 0 HE3 TRP A 518 1.642 -6.247 -1.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 3.013 -7.010 -6.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 3.676 -7.528 -2.469 1.00 0.00 H new ATOM 0 HH2 TRP A 518 4.349 -7.903 -4.805 1.00 0.00 H new ATOM 200 N THR A 519 -1.391 -2.797 -0.169 1.00 0.00 N ATOM 201 CA THR A 519 -2.101 -1.654 0.400 1.00 0.00 C ATOM 202 C THR A 519 -3.131 -1.106 -0.593 1.00 0.00 C ATOM 203 O THR A 519 -4.315 -1.427 -0.504 1.00 0.00 O ATOM 204 CB THR A 519 -1.109 -0.558 0.831 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.724 0.249 -0.269 1.00 0.00 O ATOM 206 CG2 THR A 519 0.157 -1.115 1.444 1.00 0.00 C ATOM 0 H THR A 519 -1.460 -3.653 0.382 1.00 0.00 H new ATOM 0 HA THR A 519 -2.637 -1.990 1.287 1.00 0.00 H new ATOM 0 HB THR A 519 -1.642 0.029 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.192 0.571 -0.134 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.816 -0.294 1.727 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.094 -1.701 2.328 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.663 -1.752 0.719 1.00 0.00 H new ATOM 214 N THR A 520 -2.680 -0.292 -1.546 1.00 0.00 N ATOM 215 CA THR A 520 -3.568 0.281 -2.552 1.00 0.00 C ATOM 216 C THR A 520 -2.777 1.234 -3.434 1.00 0.00 C ATOM 217 O THR A 520 -2.615 1.004 -4.632 1.00 0.00 O ATOM 218 CB THR A 520 -4.738 1.013 -1.883 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.815 0.125 -1.643 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.275 2.167 -2.699 1.00 0.00 C ATOM 0 H THR A 520 -1.703 -0.015 -1.641 1.00 0.00 H new ATOM 0 HA THR A 520 -3.980 -0.520 -3.166 1.00 0.00 H new ATOM 0 HB THR A 520 -4.331 1.407 -0.952 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.485 -0.670 -1.174 1.00 0.00 H new ATOM 0 HG21 THR A 520 -6.100 2.638 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.483 2.898 -2.860 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.630 1.798 -3.661 1.00 0.00 H new ATOM 228 N GLN A 521 -2.253 2.286 -2.817 1.00 0.00 N ATOM 229 CA GLN A 521 -1.437 3.251 -3.534 1.00 0.00 C ATOM 230 C GLN A 521 -0.094 2.628 -3.862 1.00 0.00 C ATOM 231 O GLN A 521 0.675 3.160 -4.662 1.00 0.00 O ATOM 232 CB GLN A 521 -1.251 4.523 -2.706 1.00 0.00 C ATOM 233 CG GLN A 521 -2.532 5.319 -2.519 1.00 0.00 C ATOM 234 CD GLN A 521 -2.406 6.753 -2.998 1.00 0.00 C ATOM 235 OE1 GLN A 521 -2.909 7.110 -4.063 1.00 0.00 O ATOM 236 NE2 GLN A 521 -1.729 7.581 -2.211 1.00 0.00 N ATOM 0 H GLN A 521 -2.379 2.490 -1.826 1.00 0.00 H new ATOM 0 HA GLN A 521 -1.941 3.526 -4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -0.854 4.255 -1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.507 5.156 -3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -3.341 4.829 -3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -2.806 5.315 -1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -1.329 7.241 -1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -1.609 8.557 -2.481 1.00 0.00 H new ATOM 245 N ASP A 522 0.173 1.480 -3.246 1.00 0.00 N ATOM 246 CA ASP A 522 1.407 0.769 -3.481 1.00 0.00 C ATOM 247 C ASP A 522 1.230 -0.276 -4.581 1.00 0.00 C ATOM 248 O ASP A 522 2.201 -0.852 -5.069 1.00 0.00 O ATOM 249 CB ASP A 522 1.908 0.113 -2.194 1.00 0.00 C ATOM 250 CG ASP A 522 2.472 1.121 -1.214 1.00 0.00 C ATOM 251 OD1 ASP A 522 3.199 2.035 -1.655 1.00 0.00 O ATOM 252 OD2 ASP A 522 2.187 0.996 -0.004 1.00 0.00 O ATOM 0 H ASP A 522 -0.455 1.029 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 522 2.154 1.490 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.088 -0.429 -1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 522 2.676 -0.621 -2.439 1.00 0.00 H new ATOM 257 N GLU A 523 -0.023 -0.520 -4.962 1.00 0.00 N ATOM 258 CA GLU A 523 -0.342 -1.497 -5.998 1.00 0.00 C ATOM 259 C GLU A 523 0.575 -1.353 -7.212 1.00 0.00 C ATOM 260 O GLU A 523 0.826 -2.323 -7.926 1.00 0.00 O ATOM 261 CB GLU A 523 -1.803 -1.342 -6.427 1.00 0.00 C ATOM 262 CG GLU A 523 -2.074 -0.082 -7.235 1.00 0.00 C ATOM 263 CD GLU A 523 -2.415 -0.379 -8.683 1.00 0.00 C ATOM 264 OE1 GLU A 523 -1.895 -1.377 -9.222 1.00 0.00 O ATOM 265 OE2 GLU A 523 -3.202 0.389 -9.276 1.00 0.00 O ATOM 0 H GLU A 523 -0.837 -0.051 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.186 -2.491 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.093 -2.211 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.434 -1.336 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -2.896 0.469 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.197 0.565 -7.197 1.00 0.00 H new ATOM 272 N GLY A 524 1.070 -0.140 -7.440 1.00 0.00 N ATOM 273 CA GLY A 524 1.947 0.092 -8.569 1.00 0.00 C ATOM 274 C GLY A 524 1.845 1.507 -9.099 1.00 0.00 C ATOM 275 O GLY A 524 1.855 1.725 -10.310 1.00 0.00 O ATOM 0 H GLY A 524 0.880 0.681 -6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.977 -0.109 -8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.702 -0.610 -9.366 1.00 0.00 H new ATOM 279 N ALA A 525 1.740 2.471 -8.192 1.00 0.00 N ATOM 280 CA ALA A 525 1.628 3.870 -8.584 1.00 0.00 C ATOM 281 C ALA A 525 2.975 4.582 -8.514 1.00 0.00 C ATOM 282 O ALA A 525 3.475 5.083 -9.522 1.00 0.00 O ATOM 283 CB ALA A 525 0.603 4.585 -7.717 1.00 0.00 C ATOM 0 H ALA A 525 1.730 2.311 -7.185 1.00 0.00 H new ATOM 0 HA ALA A 525 1.293 3.897 -9.621 1.00 0.00 H new ATOM 0 HB1 ALA A 525 0.532 5.629 -8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.369 4.106 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.911 4.534 -6.673 1.00 0.00 H new ATOM 289 N ALA A 526 3.559 4.621 -7.324 1.00 0.00 N ATOM 290 CA ALA A 526 4.850 5.267 -7.129 1.00 0.00 C ATOM 291 C ALA A 526 5.762 4.382 -6.307 1.00 0.00 C ATOM 292 O ALA A 526 6.525 4.849 -5.462 1.00 0.00 O ATOM 293 CB ALA A 526 4.677 6.626 -6.467 1.00 0.00 C ATOM 0 H ALA A 526 3.159 4.213 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 526 5.309 5.423 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 526 5.653 7.091 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 526 4.057 7.262 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.197 6.500 -5.497 1.00 0.00 H new ATOM 299 N ILE A 527 5.648 3.091 -6.556 1.00 0.00 N ATOM 300 CA ILE A 527 6.425 2.098 -5.844 1.00 0.00 C ATOM 301 C ILE A 527 7.686 1.678 -6.595 1.00 0.00 C ATOM 302 O ILE A 527 8.454 0.845 -6.117 1.00 0.00 O ATOM 303 CB ILE A 527 5.546 0.877 -5.540 1.00 0.00 C ATOM 304 CG1 ILE A 527 4.840 0.371 -6.807 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.515 1.276 -4.502 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.779 -0.019 -7.929 1.00 0.00 C ATOM 0 H ILE A 527 5.015 2.703 -7.256 1.00 0.00 H new ATOM 0 HA ILE A 527 6.761 2.554 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 527 6.174 0.069 -5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.225 -0.491 -6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.165 1.147 -7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 527 3.880 0.420 -4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 527 5.021 1.606 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.902 2.089 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.199 -0.365 -8.785 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.376 0.845 -8.220 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.438 -0.818 -7.591 1.00 0.00 H new ATOM 318 N GLY A 528 7.894 2.249 -7.776 1.00 0.00 N ATOM 319 CA GLY A 528 9.057 1.906 -8.574 1.00 0.00 C ATOM 320 C GLY A 528 10.381 2.083 -7.846 1.00 0.00 C ATOM 321 O GLY A 528 11.408 1.589 -8.314 1.00 0.00 O ATOM 0 H GLY A 528 7.277 2.944 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.969 0.869 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 528 9.063 2.523 -9.473 1.00 0.00 H new ATOM 325 N LEU A 529 10.379 2.792 -6.719 1.00 0.00 N ATOM 326 CA LEU A 529 11.615 3.017 -5.975 1.00 0.00 C ATOM 327 C LEU A 529 11.768 2.053 -4.800 1.00 0.00 C ATOM 328 O LEU A 529 12.874 1.605 -4.497 1.00 0.00 O ATOM 329 CB LEU A 529 11.671 4.461 -5.470 1.00 0.00 C ATOM 330 CG LEU A 529 10.356 5.005 -4.906 1.00 0.00 C ATOM 331 CD1 LEU A 529 10.623 5.957 -3.751 1.00 0.00 C ATOM 332 CD2 LEU A 529 9.556 5.701 -5.998 1.00 0.00 C ATOM 0 H LEU A 529 9.548 3.215 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 529 12.441 2.833 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.436 4.529 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.990 5.104 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 529 9.770 4.166 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 529 9.676 6.333 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 529 11.155 5.429 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 529 11.230 6.792 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 529 8.624 6.082 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 529 10.137 6.529 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 529 9.333 4.991 -6.794 1.00 0.00 H new ATOM 344 N ALA A 530 10.664 1.761 -4.125 1.00 0.00 N ATOM 345 CA ALA A 530 10.689 0.877 -2.962 1.00 0.00 C ATOM 346 C ALA A 530 10.160 -0.521 -3.260 1.00 0.00 C ATOM 347 O ALA A 530 10.076 -1.356 -2.359 1.00 0.00 O ATOM 348 CB ALA A 530 9.876 1.487 -1.844 1.00 0.00 C ATOM 0 H ALA A 530 9.740 2.122 -4.361 1.00 0.00 H new ATOM 0 HA ALA A 530 11.734 0.771 -2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 530 9.896 0.826 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.299 2.454 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.846 1.621 -2.174 1.00 0.00 H new ATOM 354 N TRP A 531 9.785 -0.778 -4.502 1.00 0.00 N ATOM 355 CA TRP A 531 9.245 -2.082 -4.868 1.00 0.00 C ATOM 356 C TRP A 531 10.313 -3.175 -4.870 1.00 0.00 C ATOM 357 O TRP A 531 10.215 -4.145 -5.621 1.00 0.00 O ATOM 358 CB TRP A 531 8.554 -2.001 -6.224 1.00 0.00 C ATOM 359 CG TRP A 531 9.495 -1.802 -7.373 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.738 -1.239 -7.328 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.266 -2.163 -8.739 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.297 -1.228 -8.583 1.00 0.00 N ATOM 363 CE2 TRP A 531 10.412 -1.790 -9.467 1.00 0.00 C ATOM 364 CE3 TRP A 531 8.204 -2.766 -9.418 1.00 0.00 C ATOM 365 CZ2 TRP A 531 10.525 -2.001 -10.839 1.00 0.00 C ATOM 366 CZ3 TRP A 531 8.317 -2.975 -10.780 1.00 0.00 C ATOM 367 CH2 TRP A 531 9.469 -2.593 -11.477 1.00 0.00 C ATOM 0 H TRP A 531 9.843 -0.109 -5.270 1.00 0.00 H new ATOM 0 HA TRP A 531 8.514 -2.358 -4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 531 7.986 -2.917 -6.387 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.837 -1.180 -6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.213 -0.858 -6.436 1.00 0.00 H new ATOM 0 HE1 TRP A 531 12.219 -0.862 -8.819 1.00 0.00 H new ATOM 0 HE3 TRP A 531 7.311 -3.063 -8.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 11.413 -1.708 -11.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 7.503 -3.441 -11.315 1.00 0.00 H new ATOM 0 HH2 TRP A 531 9.526 -2.769 -12.541 1.00 0.00 H new ATOM 378 N ILE A 532 11.320 -3.025 -4.011 1.00 0.00 N ATOM 379 CA ILE A 532 12.389 -4.004 -3.899 1.00 0.00 C ATOM 380 C ILE A 532 13.091 -3.874 -2.548 1.00 0.00 C ATOM 381 O ILE A 532 14.213 -3.377 -2.468 1.00 0.00 O ATOM 382 CB ILE A 532 13.428 -3.847 -5.028 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.016 -2.433 -5.020 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.800 -4.164 -6.378 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.515 -2.405 -4.818 1.00 0.00 C ATOM 0 H ILE A 532 11.414 -2.228 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 532 11.933 -4.990 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 532 14.239 -4.555 -4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 532 13.775 -1.942 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.540 -1.854 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.547 -4.048 -7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 532 12.432 -5.190 -6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 532 11.971 -3.481 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 532 15.864 -1.372 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 532 15.762 -2.867 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.001 -2.956 -5.623 1.00 0.00 H new ATOM 397 N PRO A 533 12.427 -4.314 -1.463 1.00 0.00 N ATOM 398 CA PRO A 533 12.976 -4.241 -0.104 1.00 0.00 C ATOM 399 C PRO A 533 14.384 -4.822 -0.006 1.00 0.00 C ATOM 400 O PRO A 533 14.564 -5.989 0.344 1.00 0.00 O ATOM 401 CB PRO A 533 11.993 -5.071 0.741 1.00 0.00 C ATOM 402 CG PRO A 533 11.100 -5.765 -0.237 1.00 0.00 C ATOM 403 CD PRO A 533 11.085 -4.909 -1.470 1.00 0.00 C ATOM 0 HA PRO A 533 13.072 -3.208 0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 533 12.524 -5.790 1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 533 11.417 -4.432 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 533 11.471 -6.765 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.095 -5.882 0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 533 10.907 -5.498 -2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 533 10.305 -4.149 -1.427 1.00 0.00 H new ATOM 411 N TYR A 534 15.380 -3.996 -0.314 1.00 0.00 N ATOM 412 CA TYR A 534 16.774 -4.421 -0.258 1.00 0.00 C ATOM 413 C TYR A 534 17.416 -4.017 1.068 1.00 0.00 C ATOM 414 O TYR A 534 18.308 -4.701 1.570 1.00 0.00 O ATOM 415 CB TYR A 534 17.558 -3.813 -1.426 1.00 0.00 C ATOM 416 CG TYR A 534 18.276 -4.840 -2.272 1.00 0.00 C ATOM 417 CD1 TYR A 534 19.483 -5.389 -1.856 1.00 0.00 C ATOM 418 CD2 TYR A 534 17.749 -5.259 -3.487 1.00 0.00 C ATOM 419 CE1 TYR A 534 20.144 -6.326 -2.626 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.403 -6.197 -4.263 1.00 0.00 C ATOM 421 CZ TYR A 534 19.600 -6.727 -3.829 1.00 0.00 C ATOM 422 OH TYR A 534 20.256 -7.661 -4.598 1.00 0.00 O ATOM 0 H TYR A 534 15.247 -3.028 -0.605 1.00 0.00 H new ATOM 0 HA TYR A 534 16.801 -5.508 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 534 16.873 -3.249 -2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 534 18.287 -3.104 -1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 534 19.911 -5.078 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.813 -4.845 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 534 21.081 -6.743 -2.288 1.00 0.00 H new ATOM 0 HE2 TYR A 534 17.979 -6.513 -5.205 1.00 0.00 H new ATOM 0 HH TYR A 534 19.740 -7.835 -5.413 1.00 0.00 H new ATOM 432 N PHE A 535 16.962 -2.898 1.622 1.00 0.00 N ATOM 433 CA PHE A 535 17.496 -2.393 2.883 1.00 0.00 C ATOM 434 C PHE A 535 17.128 -3.308 4.048 1.00 0.00 C ATOM 435 O PHE A 535 17.907 -3.474 4.987 1.00 0.00 O ATOM 436 CB PHE A 535 16.978 -0.977 3.147 1.00 0.00 C ATOM 437 CG PHE A 535 18.057 -0.005 3.529 1.00 0.00 C ATOM 438 CD1 PHE A 535 18.806 0.636 2.556 1.00 0.00 C ATOM 439 CD2 PHE A 535 18.320 0.268 4.862 1.00 0.00 C ATOM 440 CE1 PHE A 535 19.799 1.532 2.906 1.00 0.00 C ATOM 441 CE2 PHE A 535 19.311 1.164 5.217 1.00 0.00 C ATOM 442 CZ PHE A 535 20.052 1.796 4.238 1.00 0.00 C ATOM 0 H PHE A 535 16.224 -2.322 1.217 1.00 0.00 H new ATOM 0 HA PHE A 535 18.583 -2.370 2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 535 16.471 -0.612 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 535 16.234 -1.013 3.943 1.00 0.00 H new ATOM 0 HD1 PHE A 535 18.612 0.434 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 535 17.744 -0.225 5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 535 20.377 2.025 2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 535 19.506 1.370 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 535 20.828 2.495 4.513 1.00 0.00 H new ATOM 452 N GLY A 536 15.939 -3.897 3.986 1.00 0.00 N ATOM 453 CA GLY A 536 15.496 -4.782 5.047 1.00 0.00 C ATOM 454 C GLY A 536 13.990 -4.760 5.236 1.00 0.00 C ATOM 455 O GLY A 536 13.324 -5.773 5.025 1.00 0.00 O ATOM 0 H GLY A 536 15.275 -3.778 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 536 15.815 -5.800 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 536 15.980 -4.494 5.980 1.00 0.00 H new ATOM 459 N PRO A 537 13.419 -3.609 5.632 1.00 0.00 N ATOM 460 CA PRO A 537 11.976 -3.474 5.840 1.00 0.00 C ATOM 461 C PRO A 537 11.189 -3.781 4.579 1.00 0.00 C ATOM 462 O PRO A 537 11.722 -4.336 3.618 1.00 0.00 O ATOM 463 CB PRO A 537 11.794 -2.005 6.242 1.00 0.00 C ATOM 464 CG PRO A 537 13.039 -1.323 5.792 1.00 0.00 C ATOM 465 CD PRO A 537 14.127 -2.349 5.901 1.00 0.00 C ATOM 0 HA PRO A 537 11.608 -4.174 6.590 1.00 0.00 H new ATOM 0 HB2 PRO A 537 10.914 -1.572 5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 537 11.657 -1.905 7.319 1.00 0.00 H new ATOM 0 HG2 PRO A 537 12.940 -0.965 4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 537 13.256 -0.455 6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 537 14.924 -2.171 5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 537 14.587 -2.347 6.889 1.00 0.00 H new ATOM 473 N ALA A 538 9.919 -3.411 4.587 1.00 0.00 N ATOM 474 CA ALA A 538 9.056 -3.642 3.441 1.00 0.00 C ATOM 475 C ALA A 538 9.431 -2.714 2.296 1.00 0.00 C ATOM 476 O ALA A 538 9.612 -3.155 1.161 1.00 0.00 O ATOM 477 CB ALA A 538 7.597 -3.449 3.823 1.00 0.00 C ATOM 0 H ALA A 538 9.463 -2.950 5.374 1.00 0.00 H new ATOM 0 HA ALA A 538 9.193 -4.672 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 538 6.966 -3.626 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 538 7.331 -4.152 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 538 7.446 -2.430 4.179 1.00 0.00 H new ATOM 483 N ALA A 539 9.550 -1.424 2.604 1.00 0.00 N ATOM 484 CA ALA A 539 9.909 -0.413 1.604 1.00 0.00 C ATOM 485 C ALA A 539 8.792 -0.200 0.594 1.00 0.00 C ATOM 486 O ALA A 539 8.356 0.926 0.353 1.00 0.00 O ATOM 487 CB ALA A 539 11.170 -0.823 0.872 1.00 0.00 C ATOM 0 H ALA A 539 9.403 -1.050 3.542 1.00 0.00 H new ATOM 0 HA ALA A 539 10.077 0.524 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.425 -0.064 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.988 -0.924 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.006 -1.777 0.371 1.00 0.00 H new ATOM 493 N GLU A 540 8.355 -1.302 0.004 1.00 0.00 N ATOM 494 CA GLU A 540 7.301 -1.308 -1.004 1.00 0.00 C ATOM 495 C GLU A 540 6.202 -0.287 -0.699 1.00 0.00 C ATOM 496 O GLU A 540 5.571 0.244 -1.613 1.00 0.00 O ATOM 497 CB GLU A 540 6.708 -2.713 -1.079 1.00 0.00 C ATOM 498 CG GLU A 540 7.172 -3.518 -2.282 1.00 0.00 C ATOM 499 CD GLU A 540 6.331 -3.254 -3.518 1.00 0.00 C ATOM 500 OE1 GLU A 540 5.764 -2.147 -3.625 1.00 0.00 O ATOM 501 OE2 GLU A 540 6.240 -4.156 -4.376 1.00 0.00 O ATOM 0 H GLU A 540 8.725 -2.229 0.213 1.00 0.00 H new ATOM 0 HA GLU A 540 7.738 -1.024 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.969 -3.255 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.621 -2.636 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 540 8.213 -3.277 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 540 7.134 -4.580 -2.041 1.00 0.00 H new ATOM 508 N GLY A 541 5.976 -0.017 0.583 1.00 0.00 N ATOM 509 CA GLY A 541 4.953 0.941 0.965 1.00 0.00 C ATOM 510 C GLY A 541 5.472 2.040 1.873 1.00 0.00 C ATOM 511 O GLY A 541 4.961 3.159 1.851 1.00 0.00 O ATOM 0 H GLY A 541 6.480 -0.442 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.531 1.390 0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.142 0.415 1.469 1.00 0.00 H new ATOM 515 N ILE A 542 6.479 1.725 2.680 1.00 0.00 N ATOM 516 CA ILE A 542 7.045 2.704 3.604 1.00 0.00 C ATOM 517 C ILE A 542 8.156 3.528 2.955 1.00 0.00 C ATOM 518 O ILE A 542 8.457 4.632 3.408 1.00 0.00 O ATOM 519 CB ILE A 542 7.582 2.043 4.893 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.478 0.844 4.571 1.00 0.00 C ATOM 521 CG2 ILE A 542 6.426 1.615 5.784 1.00 0.00 C ATOM 522 CD1 ILE A 542 9.927 1.211 4.344 1.00 0.00 C ATOM 0 H ILE A 542 6.919 0.805 2.714 1.00 0.00 H new ATOM 0 HA ILE A 542 6.225 3.371 3.870 1.00 0.00 H new ATOM 0 HB ILE A 542 8.186 2.779 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.418 0.127 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.095 0.344 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.817 1.150 6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.831 2.488 6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 542 5.801 0.899 5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.500 0.311 4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 542 10.000 1.904 3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.328 1.683 5.241 1.00 0.00 H new ATOM 534 N TYR A 543 8.758 3.002 1.890 1.00 0.00 N ATOM 535 CA TYR A 543 9.821 3.721 1.191 1.00 0.00 C ATOM 536 C TYR A 543 9.372 4.112 -0.214 1.00 0.00 C ATOM 537 O TYR A 543 10.045 4.884 -0.900 1.00 0.00 O ATOM 538 CB TYR A 543 11.088 2.865 1.113 1.00 0.00 C ATOM 539 CG TYR A 543 11.946 2.937 2.357 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.219 4.155 2.968 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.482 1.786 2.920 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.003 4.223 4.103 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.267 1.846 4.056 1.00 0.00 C ATOM 544 CZ TYR A 543 13.523 3.066 4.644 1.00 0.00 C ATOM 545 OH TYR A 543 14.304 3.131 5.775 1.00 0.00 O ATOM 0 H TYR A 543 8.531 2.089 1.495 1.00 0.00 H new ATOM 0 HA TYR A 543 10.042 4.628 1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.805 1.827 0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 543 11.680 3.184 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.812 5.063 2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.282 0.828 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.208 5.178 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.678 0.942 4.481 1.00 0.00 H new ATOM 0 HH TYR A 543 14.590 2.228 6.027 1.00 0.00 H new ATOM 555 N ALA A 544 8.231 3.574 -0.633 1.00 0.00 N ATOM 556 CA ALA A 544 7.680 3.854 -1.948 1.00 0.00 C ATOM 557 C ALA A 544 6.526 4.835 -1.835 1.00 0.00 C ATOM 558 O ALA A 544 6.338 5.701 -2.691 1.00 0.00 O ATOM 559 CB ALA A 544 7.205 2.560 -2.582 1.00 0.00 C ATOM 0 H ALA A 544 7.667 2.936 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 544 8.453 4.300 -2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.791 2.769 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 544 8.045 1.872 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.437 2.108 -1.955 1.00 0.00 H new ATOM 565 N GLU A 545 5.745 4.676 -0.774 1.00 0.00 N ATOM 566 CA GLU A 545 4.589 5.527 -0.541 1.00 0.00 C ATOM 567 C GLU A 545 4.721 6.305 0.769 1.00 0.00 C ATOM 568 O GLU A 545 4.247 7.435 0.881 1.00 0.00 O ATOM 569 CB GLU A 545 3.337 4.656 -0.503 1.00 0.00 C ATOM 570 CG GLU A 545 2.093 5.398 -0.054 1.00 0.00 C ATOM 571 CD GLU A 545 1.670 6.466 -1.044 1.00 0.00 C ATOM 572 OE1 GLU A 545 2.416 7.454 -1.205 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.594 6.314 -1.659 1.00 0.00 O ATOM 0 H GLU A 545 5.893 3.963 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 545 4.521 6.254 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 545 3.163 4.241 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.510 3.815 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 545 1.278 4.687 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 545 2.278 5.858 0.917 1.00 0.00 H new ATOM 580 N GLY A 546 5.373 5.689 1.749 1.00 0.00 N ATOM 581 CA GLY A 546 5.575 6.314 3.046 1.00 0.00 C ATOM 582 C GLY A 546 4.391 7.137 3.528 1.00 0.00 C ATOM 583 O GLY A 546 4.576 8.252 4.017 1.00 0.00 O ATOM 0 H GLY A 546 5.771 4.754 1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.789 5.539 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.454 6.956 2.995 1.00 0.00 H new ATOM 587 N LEU A 547 3.175 6.600 3.408 1.00 0.00 N ATOM 588 CA LEU A 547 1.993 7.330 3.861 1.00 0.00 C ATOM 589 C LEU A 547 0.707 6.521 3.663 1.00 0.00 C ATOM 590 O LEU A 547 0.012 6.207 4.630 1.00 0.00 O ATOM 591 CB LEU A 547 1.935 8.700 3.155 1.00 0.00 C ATOM 592 CG LEU A 547 0.687 9.010 2.312 1.00 0.00 C ATOM 593 CD1 LEU A 547 0.234 10.445 2.542 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.972 8.773 0.834 1.00 0.00 C ATOM 0 H LEU A 547 2.986 5.681 3.009 1.00 0.00 H new ATOM 0 HA LEU A 547 2.074 7.497 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 547 2.028 9.475 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.808 8.782 2.507 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.115 8.340 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -0.650 10.649 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.006 10.586 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.033 11.129 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 547 0.079 8.997 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.787 9.421 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 547 1.254 7.731 0.680 1.00 0.00 H new ATOM 606 N MET A 548 0.395 6.184 2.419 1.00 0.00 N ATOM 607 CA MET A 548 -0.807 5.412 2.116 1.00 0.00 C ATOM 608 C MET A 548 -0.522 3.914 2.127 1.00 0.00 C ATOM 609 O MET A 548 -1.347 3.114 1.687 1.00 0.00 O ATOM 610 CB MET A 548 -1.389 5.815 0.762 1.00 0.00 C ATOM 611 CG MET A 548 -2.604 6.724 0.869 1.00 0.00 C ATOM 612 SD MET A 548 -2.182 8.476 0.808 1.00 0.00 S ATOM 613 CE MET A 548 -3.697 9.163 0.144 1.00 0.00 C ATOM 0 H MET A 548 0.955 6.432 1.603 1.00 0.00 H new ATOM 0 HA MET A 548 -1.537 5.632 2.895 1.00 0.00 H new ATOM 0 HB2 MET A 548 -0.618 6.320 0.180 1.00 0.00 H new ATOM 0 HB3 MET A 548 -1.666 4.915 0.212 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.295 6.494 0.058 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.127 6.514 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 548 -3.594 10.244 0.046 1.00 0.00 H new ATOM 0 HE2 MET A 548 -3.895 8.727 -0.835 1.00 0.00 H new ATOM 0 HE3 MET A 548 -4.525 8.937 0.816 1.00 0.00 H new ATOM 623 N HIS A 549 0.641 3.533 2.633 1.00 0.00 N ATOM 624 CA HIS A 549 0.998 2.126 2.697 1.00 0.00 C ATOM 625 C HIS A 549 0.068 1.382 3.654 1.00 0.00 C ATOM 626 O HIS A 549 0.072 0.154 3.706 1.00 0.00 O ATOM 627 CB HIS A 549 2.464 1.962 3.119 1.00 0.00 C ATOM 628 CG HIS A 549 2.771 0.657 3.797 1.00 0.00 C ATOM 629 ND1 HIS A 549 2.829 -0.548 3.128 1.00 0.00 N ATOM 630 CD2 HIS A 549 3.039 0.377 5.096 1.00 0.00 C ATOM 631 CE1 HIS A 549 3.116 -1.511 3.984 1.00 0.00 C ATOM 632 NE2 HIS A 549 3.249 -0.978 5.183 1.00 0.00 N ATOM 0 H HIS A 549 1.346 4.171 3.001 1.00 0.00 H new ATOM 0 HA HIS A 549 0.881 1.692 1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 549 3.097 2.057 2.236 1.00 0.00 H new ATOM 0 HB3 HIS A 549 2.730 2.778 3.791 1.00 0.00 H new ATOM 0 HD2 HIS A 549 3.080 1.086 5.910 1.00 0.00 H new ATOM 0 HE1 HIS A 549 3.224 -2.558 3.743 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.472 -1.489 6.037 1.00 0.00 H new ATOM 641 N ASN A 550 -0.720 2.128 4.416 1.00 0.00 N ATOM 642 CA ASN A 550 -1.640 1.519 5.362 1.00 0.00 C ATOM 643 C ASN A 550 -3.027 1.330 4.750 1.00 0.00 C ATOM 644 O ASN A 550 -3.865 0.619 5.305 1.00 0.00 O ATOM 645 CB ASN A 550 -1.735 2.372 6.626 1.00 0.00 C ATOM 646 CG ASN A 550 -0.662 2.026 7.639 1.00 0.00 C ATOM 647 OD1 ASN A 550 -0.632 0.918 8.174 1.00 0.00 O ATOM 648 ND2 ASN A 550 0.227 2.975 7.909 1.00 0.00 N ATOM 0 H ASN A 550 -0.740 3.148 4.397 1.00 0.00 H new ATOM 0 HA ASN A 550 -1.251 0.534 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -1.651 3.425 6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.717 2.236 7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.972 2.799 8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.165 3.880 7.442 1.00 0.00 H new ATOM 655 N GLN A 551 -3.264 1.956 3.602 1.00 0.00 N ATOM 656 CA GLN A 551 -4.551 1.840 2.920 1.00 0.00 C ATOM 657 C GLN A 551 -4.689 0.463 2.278 1.00 0.00 C ATOM 658 O GLN A 551 -4.854 0.345 1.064 1.00 0.00 O ATOM 659 CB GLN A 551 -4.699 2.925 1.850 1.00 0.00 C ATOM 660 CG GLN A 551 -4.027 4.239 2.208 1.00 0.00 C ATOM 661 CD GLN A 551 -4.606 4.869 3.460 1.00 0.00 C ATOM 662 OE1 GLN A 551 -4.141 4.612 4.570 1.00 0.00 O ATOM 663 NE2 GLN A 551 -5.627 5.700 3.285 1.00 0.00 N ATOM 0 H GLN A 551 -2.585 2.548 3.124 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.339 1.970 3.662 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.280 2.557 0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.759 3.107 1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -2.960 4.070 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -4.130 4.934 1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -5.980 5.884 2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -6.058 6.155 4.090 1.00 0.00 H new ATOM 672 N ASP A 552 -4.612 -0.572 3.104 1.00 0.00 N ATOM 673 CA ASP A 552 -4.718 -1.945 2.628 1.00 0.00 C ATOM 674 C ASP A 552 -6.123 -2.492 2.835 1.00 0.00 C ATOM 675 O ASP A 552 -6.319 -3.702 2.896 1.00 0.00 O ATOM 676 CB ASP A 552 -3.706 -2.831 3.354 1.00 0.00 C ATOM 677 CG ASP A 552 -3.936 -2.862 4.852 1.00 0.00 C ATOM 678 OD1 ASP A 552 -5.014 -3.330 5.277 1.00 0.00 O ATOM 679 OD2 ASP A 552 -3.041 -2.417 5.600 1.00 0.00 O ATOM 0 H ASP A 552 -4.476 -0.486 4.111 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.503 -1.949 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -3.766 -3.845 2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -2.698 -2.468 3.151 1.00 0.00 H new ATOM 684 N GLY A 553 -7.095 -1.597 2.956 1.00 0.00 N ATOM 685 CA GLY A 553 -8.468 -2.015 3.173 1.00 0.00 C ATOM 686 C GLY A 553 -9.045 -1.394 4.427 1.00 0.00 C ATOM 687 O GLY A 553 -10.240 -1.107 4.498 1.00 0.00 O ATOM 0 H GLY A 553 -6.958 -0.587 2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -9.076 -1.733 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.511 -3.101 3.251 1.00 0.00 H new ATOM 691 N LEU A 554 -8.180 -1.172 5.411 1.00 0.00 N ATOM 692 CA LEU A 554 -8.585 -0.562 6.672 1.00 0.00 C ATOM 693 C LEU A 554 -9.272 0.768 6.414 1.00 0.00 C ATOM 694 O LEU A 554 -10.406 0.996 6.835 1.00 0.00 O ATOM 695 CB LEU A 554 -7.357 -0.324 7.550 1.00 0.00 C ATOM 696 CG LEU A 554 -6.444 -1.540 7.737 1.00 0.00 C ATOM 697 CD1 LEU A 554 -4.982 -1.130 7.647 1.00 0.00 C ATOM 698 CD2 LEU A 554 -6.726 -2.217 9.069 1.00 0.00 C ATOM 0 H LEU A 554 -7.189 -1.407 5.359 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.277 -1.236 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -6.772 0.487 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -7.691 0.014 8.531 1.00 0.00 H new ATOM 0 HG LEU A 554 -6.651 -2.251 6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -4.349 -2.007 7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -4.787 -0.689 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -4.760 -0.399 8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -6.069 -3.079 9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -6.547 -1.512 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -7.765 -2.546 9.097 1.00 0.00 H new ATOM 710 N ILE A 555 -8.558 1.637 5.719 1.00 0.00 N ATOM 711 CA ILE A 555 -9.050 2.955 5.381 1.00 0.00 C ATOM 712 C ILE A 555 -10.005 2.894 4.191 1.00 0.00 C ATOM 713 O ILE A 555 -9.766 3.506 3.150 1.00 0.00 O ATOM 714 CB ILE A 555 -7.865 3.878 5.051 1.00 0.00 C ATOM 715 CG1 ILE A 555 -6.882 3.945 6.226 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.347 5.269 4.671 1.00 0.00 C ATOM 717 CD1 ILE A 555 -7.545 3.904 7.589 1.00 0.00 C ATOM 0 H ILE A 555 -7.618 1.444 5.374 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.597 3.350 6.237 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.341 3.457 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.182 3.113 6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.297 4.861 6.145 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.489 5.902 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.993 5.204 3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.905 5.700 5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.783 3.956 8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.223 4.751 7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.106 2.975 7.693 1.00 0.00 H new ATOM 729 N CYS A 556 -11.089 2.147 4.359 1.00 0.00 N ATOM 730 CA CYS A 556 -12.092 1.995 3.309 1.00 0.00 C ATOM 731 C CYS A 556 -12.771 3.327 2.990 1.00 0.00 C ATOM 732 O CYS A 556 -13.454 3.454 1.973 1.00 0.00 O ATOM 733 CB CYS A 556 -13.140 0.959 3.729 1.00 0.00 C ATOM 734 SG CYS A 556 -13.505 -0.293 2.455 1.00 0.00 S ATOM 0 H CYS A 556 -11.298 1.634 5.216 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.585 1.651 2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.794 0.454 4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.063 1.477 3.988 1.00 0.00 H new ATOM 739 N GLY A 557 -12.580 4.317 3.859 1.00 0.00 N ATOM 740 CA GLY A 557 -13.183 5.621 3.643 1.00 0.00 C ATOM 741 C GLY A 557 -12.747 6.267 2.340 1.00 0.00 C ATOM 742 O GLY A 557 -13.364 7.230 1.886 1.00 0.00 O ATOM 0 H GLY A 557 -12.019 4.239 4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.268 5.519 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.922 6.278 4.473 1.00 0.00 H new ATOM 746 N LEU A 558 -11.680 5.745 1.739 1.00 0.00 N ATOM 747 CA LEU A 558 -11.166 6.285 0.484 1.00 0.00 C ATOM 748 C LEU A 558 -12.221 6.233 -0.619 1.00 0.00 C ATOM 749 O LEU A 558 -12.337 7.159 -1.423 1.00 0.00 O ATOM 750 CB LEU A 558 -9.915 5.516 0.048 1.00 0.00 C ATOM 751 CG LEU A 558 -10.049 3.991 0.054 1.00 0.00 C ATOM 752 CD1 LEU A 558 -10.581 3.497 -1.282 1.00 0.00 C ATOM 753 CD2 LEU A 558 -8.710 3.341 0.367 1.00 0.00 C ATOM 0 H LEU A 558 -11.155 4.949 2.101 1.00 0.00 H new ATOM 0 HA LEU A 558 -10.905 7.330 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -9.644 5.836 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -9.090 5.794 0.704 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.759 3.711 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -10.670 2.411 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -11.561 3.937 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.895 3.788 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -8.823 2.257 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -7.980 3.629 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.366 3.670 1.348 1.00 0.00 H new ATOM 765 N ARG A 559 -12.986 5.147 -0.652 1.00 0.00 N ATOM 766 CA ARG A 559 -14.034 4.969 -1.657 1.00 0.00 C ATOM 767 C ARG A 559 -13.438 4.758 -3.044 1.00 0.00 C ATOM 768 O ARG A 559 -12.252 4.466 -3.186 1.00 0.00 O ATOM 769 CB ARG A 559 -14.971 6.177 -1.691 1.00 0.00 C ATOM 770 CG ARG A 559 -15.247 6.793 -0.328 1.00 0.00 C ATOM 771 CD ARG A 559 -15.566 5.731 0.712 1.00 0.00 C ATOM 772 NE ARG A 559 -16.078 6.313 1.951 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.667 5.609 2.914 1.00 0.00 C ATOM 774 NH1 ARG A 559 -16.823 4.297 2.785 1.00 0.00 N ATOM 775 NH2 ARG A 559 -17.100 6.216 4.009 1.00 0.00 N ATOM 0 H ARG A 559 -12.901 4.373 0.007 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.601 4.082 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -14.540 6.939 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.918 5.875 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -14.380 7.369 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -16.082 7.490 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -16.302 5.036 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -14.667 5.153 0.927 1.00 0.00 H new ATOM 0 HE ARG A 559 -15.978 7.319 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -16.491 3.824 1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -17.275 3.762 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -16.982 7.224 4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -17.552 5.676 4.747 1.00 0.00 H new ATOM 789 N GLN A 560 -14.273 4.911 -4.068 1.00 0.00 N ATOM 790 CA GLN A 560 -13.830 4.738 -5.442 1.00 0.00 C ATOM 791 C GLN A 560 -13.025 5.946 -5.911 1.00 0.00 C ATOM 792 O GLN A 560 -13.622 6.848 -6.537 1.00 0.00 O ATOM 793 CB GLN A 560 -15.031 4.516 -6.364 1.00 0.00 C ATOM 794 CG GLN A 560 -16.093 5.595 -6.249 1.00 0.00 C ATOM 795 CD GLN A 560 -17.316 5.133 -5.481 1.00 0.00 C ATOM 796 OE1 GLN A 560 -17.984 4.175 -5.872 1.00 0.00 O ATOM 797 NE2 GLN A 560 -17.615 5.813 -4.380 1.00 0.00 N ATOM 798 OXT GLN A 560 -11.805 5.981 -5.650 1.00 0.00 O ATOM 0 H GLN A 560 -15.259 5.154 -3.969 1.00 0.00 H new ATOM 0 HA GLN A 560 -13.186 3.860 -5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -14.683 4.469 -7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -15.480 3.550 -6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -15.666 6.468 -5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -16.394 5.911 -7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -17.033 6.600 -4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -18.426 5.548 -3.821 1.00 0.00 H new TER 807 GLN A 560