USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=7 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 Set 1.1: A 510 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.812) USER MOD Set 1.2: A 520 THR OG1 : rot 40:sc= 1.19 USER MOD Single : A 508 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.5!) USER MOD Single : A 512 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.1) USER MOD Single : A 514 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 516 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -71:sc= -0.512! USER MOD Single : A 521 GLN :FLIP amide:sc= -0.297 F(o=-1.7,f=-0.3) 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= -0.0355 (180deg=-0.0355) USER MOD Single : A 549 HIS : no HD1:sc= -2.27! C(o=-2.3!,f=-3.4!) USER MOD Single : A 550 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.2) USER MOD Single : A 551 GLN : amide:sc= -1.56 K(o=-1.6,f=-4!) USER MOD Single : A 560 GLN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -16.686 6.427 -3.148 1.00 0.00 N ATOM 2 CA ALA A 507 -16.735 5.307 -4.118 1.00 0.00 C ATOM 3 C ALA A 507 -16.685 3.955 -3.411 1.00 0.00 C ATOM 4 O ALA A 507 -16.806 3.866 -2.190 1.00 0.00 O ATOM 5 CB ALA A 507 -15.587 5.419 -5.110 1.00 0.00 C ATOM 0 HA ALA A 507 -17.681 5.372 -4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -15.635 4.590 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -15.664 6.362 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -14.638 5.385 -4.574 1.00 0.00 H new ATOM 13 N GLN A 508 -16.499 2.909 -4.198 1.00 0.00 N ATOM 14 CA GLN A 508 -16.417 1.549 -3.683 1.00 0.00 C ATOM 15 C GLN A 508 -15.162 0.860 -4.207 1.00 0.00 C ATOM 16 O GLN A 508 -15.222 0.084 -5.160 1.00 0.00 O ATOM 17 CB GLN A 508 -17.664 0.753 -4.078 1.00 0.00 C ATOM 18 CG GLN A 508 -18.692 0.642 -2.964 1.00 0.00 C ATOM 19 CD GLN A 508 -19.231 1.991 -2.529 1.00 0.00 C ATOM 20 OE1 GLN A 508 -19.261 2.942 -3.309 1.00 0.00 O ATOM 21 NE2 GLN A 508 -19.658 2.080 -1.274 1.00 0.00 N ATOM 0 H GLN A 508 -16.400 2.976 -5.211 1.00 0.00 H new ATOM 0 HA GLN A 508 -16.363 1.592 -2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -18.128 1.226 -4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -17.363 -0.249 -4.385 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -19.519 0.016 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -18.241 0.142 -2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -19.615 1.265 -0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -20.029 2.963 -0.923 1.00 0.00 H new ATOM 30 N PRO A 509 -14.005 1.141 -3.590 1.00 0.00 N ATOM 31 CA PRO A 509 -12.729 0.550 -3.998 1.00 0.00 C ATOM 32 C PRO A 509 -12.778 -0.971 -4.006 1.00 0.00 C ATOM 33 O PRO A 509 -12.694 -1.603 -5.059 1.00 0.00 O ATOM 34 CB PRO A 509 -11.736 1.043 -2.933 1.00 0.00 C ATOM 35 CG PRO A 509 -12.570 1.579 -1.820 1.00 0.00 C ATOM 36 CD PRO A 509 -13.845 2.053 -2.448 1.00 0.00 C ATOM 0 HA PRO A 509 -12.458 0.839 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -11.097 0.230 -2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -11.080 1.814 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -12.766 0.809 -1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.060 2.396 -1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -14.685 1.987 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -13.776 3.093 -2.767 1.00 0.00 H new ATOM 44 N LYS A 510 -12.916 -1.544 -2.816 1.00 0.00 N ATOM 45 CA LYS A 510 -12.978 -2.990 -2.639 1.00 0.00 C ATOM 46 C LYS A 510 -12.927 -3.344 -1.162 1.00 0.00 C ATOM 47 O LYS A 510 -13.513 -4.332 -0.720 1.00 0.00 O ATOM 48 CB LYS A 510 -11.832 -3.679 -3.384 1.00 0.00 C ATOM 49 CG LYS A 510 -10.450 -3.336 -2.846 1.00 0.00 C ATOM 50 CD LYS A 510 -9.693 -2.414 -3.791 1.00 0.00 C ATOM 51 CE LYS A 510 -8.500 -1.769 -3.103 1.00 0.00 C ATOM 52 NZ LYS A 510 -7.928 -0.654 -3.907 1.00 0.00 N ATOM 0 H LYS A 510 -12.988 -1.018 -1.945 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.922 -3.343 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -11.974 -4.758 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -11.879 -3.403 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -10.547 -2.858 -1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.879 -4.253 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -9.352 -2.980 -4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -10.364 -1.639 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.805 -1.393 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.731 -2.522 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.538 0.069 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -7.171 -1.020 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -8.675 -0.231 -4.495 1.00 0.00 H new ATOM 66 N CYS A 511 -12.228 -2.514 -0.409 1.00 0.00 N ATOM 67 CA CYS A 511 -12.086 -2.696 1.030 1.00 0.00 C ATOM 68 C CYS A 511 -11.629 -4.109 1.377 1.00 0.00 C ATOM 69 O CYS A 511 -12.376 -4.891 1.966 1.00 0.00 O ATOM 70 CB CYS A 511 -13.405 -2.373 1.725 1.00 0.00 C ATOM 71 SG CYS A 511 -13.288 -2.280 3.541 1.00 0.00 S ATOM 0 H CYS A 511 -11.742 -1.695 -0.774 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.316 -2.010 1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -13.779 -1.421 1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.139 -3.133 1.458 1.00 0.00 H new ATOM 76 N ASN A 512 -10.388 -4.417 1.021 1.00 0.00 N ATOM 77 CA ASN A 512 -9.807 -5.722 1.303 1.00 0.00 C ATOM 78 C ASN A 512 -8.710 -5.585 2.354 1.00 0.00 C ATOM 79 O ASN A 512 -7.527 -5.526 2.023 1.00 0.00 O ATOM 80 CB ASN A 512 -9.237 -6.341 0.026 1.00 0.00 C ATOM 81 CG ASN A 512 -10.320 -6.757 -0.949 1.00 0.00 C ATOM 82 OD1 ASN A 512 -11.366 -7.272 -0.552 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.075 -6.535 -2.236 1.00 0.00 N ATOM 0 H ASN A 512 -9.762 -3.776 0.534 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.589 -6.378 1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -8.573 -5.624 -0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.632 -7.210 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -10.767 -6.794 -2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -9.195 -6.106 -2.521 1.00 0.00 H new ATOM 90 N PRO A 513 -9.095 -5.520 3.644 1.00 0.00 N ATOM 91 CA PRO A 513 -8.143 -5.372 4.753 1.00 0.00 C ATOM 92 C PRO A 513 -7.324 -6.634 5.018 1.00 0.00 C ATOM 93 O PRO A 513 -6.643 -6.738 6.037 1.00 0.00 O ATOM 94 CB PRO A 513 -9.039 -5.052 5.952 1.00 0.00 C ATOM 95 CG PRO A 513 -10.361 -5.649 5.612 1.00 0.00 C ATOM 96 CD PRO A 513 -10.490 -5.577 4.114 1.00 0.00 C ATOM 0 HA PRO A 513 -7.399 -4.606 4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.637 -5.479 6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.120 -3.976 6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.421 -6.681 5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.170 -5.103 6.098 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -11.011 -6.447 3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.053 -4.697 3.803 1.00 0.00 H new ATOM 104 N ASN A 514 -7.386 -7.589 4.095 1.00 0.00 N ATOM 105 CA ASN A 514 -6.646 -8.835 4.229 1.00 0.00 C ATOM 106 C ASN A 514 -5.324 -8.773 3.458 1.00 0.00 C ATOM 107 O ASN A 514 -4.431 -9.592 3.676 1.00 0.00 O ATOM 108 CB ASN A 514 -7.501 -10.001 3.728 1.00 0.00 C ATOM 109 CG ASN A 514 -6.753 -11.321 3.724 1.00 0.00 C ATOM 110 OD1 ASN A 514 -6.545 -11.926 2.674 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.345 -11.773 4.905 1.00 0.00 N ATOM 0 H ASN A 514 -7.944 -7.521 3.244 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.413 -8.989 5.283 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.386 -10.093 4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.849 -9.783 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -5.837 -12.655 4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -6.540 -11.238 5.751 1.00 0.00 H new ATOM 118 N LEU A 515 -5.206 -7.799 2.558 1.00 0.00 N ATOM 119 CA LEU A 515 -3.994 -7.636 1.761 1.00 0.00 C ATOM 120 C LEU A 515 -3.045 -6.631 2.410 1.00 0.00 C ATOM 121 O LEU A 515 -2.907 -5.500 1.944 1.00 0.00 O ATOM 122 CB LEU A 515 -4.350 -7.180 0.345 1.00 0.00 C ATOM 123 CG LEU A 515 -4.998 -8.252 -0.537 1.00 0.00 C ATOM 124 CD1 LEU A 515 -6.470 -7.943 -0.763 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.267 -8.365 -1.868 1.00 0.00 C ATOM 0 H LEU A 515 -5.934 -7.112 2.363 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.490 -8.601 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -5.027 -6.329 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.443 -6.827 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 515 -4.923 -9.209 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.912 -8.716 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.987 -7.916 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -6.567 -6.975 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -4.742 -9.131 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.308 -7.408 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -3.227 -8.637 -1.690 1.00 0.00 H new ATOM 137 N HIS A 516 -2.398 -7.053 3.490 1.00 0.00 N ATOM 138 CA HIS A 516 -1.463 -6.195 4.214 1.00 0.00 C ATOM 139 C HIS A 516 -0.091 -6.149 3.538 1.00 0.00 C ATOM 140 O HIS A 516 0.783 -5.386 3.949 1.00 0.00 O ATOM 141 CB HIS A 516 -1.314 -6.683 5.658 1.00 0.00 C ATOM 142 CG HIS A 516 -1.632 -5.636 6.679 1.00 0.00 C ATOM 143 ND1 HIS A 516 -0.677 -4.809 7.233 1.00 0.00 N ATOM 144 CD2 HIS A 516 -2.808 -5.282 7.249 1.00 0.00 C ATOM 145 CE1 HIS A 516 -1.251 -3.993 8.100 1.00 0.00 C ATOM 146 NE2 HIS A 516 -2.544 -4.260 8.127 1.00 0.00 N ATOM 0 H HIS A 516 -2.503 -7.987 3.886 1.00 0.00 H new ATOM 0 HA HIS A 516 -1.871 -5.184 4.208 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -1.969 -7.540 5.813 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.292 -7.031 5.812 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.774 -5.722 7.050 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -0.749 -3.237 8.686 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -3.235 -3.784 8.707 1.00 0.00 H new ATOM 155 N TYR A 517 0.102 -6.977 2.515 1.00 0.00 N ATOM 156 CA TYR A 517 1.378 -7.032 1.809 1.00 0.00 C ATOM 157 C TYR A 517 1.611 -5.796 0.941 1.00 0.00 C ATOM 158 O TYR A 517 2.531 -5.018 1.192 1.00 0.00 O ATOM 159 CB TYR A 517 1.445 -8.291 0.943 1.00 0.00 C ATOM 160 CG TYR A 517 1.809 -9.540 1.716 1.00 0.00 C ATOM 161 CD1 TYR A 517 1.117 -9.892 2.867 1.00 0.00 C ATOM 162 CD2 TYR A 517 2.845 -10.365 1.293 1.00 0.00 C ATOM 163 CE1 TYR A 517 1.445 -11.032 3.576 1.00 0.00 C ATOM 164 CE2 TYR A 517 3.179 -11.506 1.998 1.00 0.00 C ATOM 165 CZ TYR A 517 2.477 -11.836 3.138 1.00 0.00 C ATOM 166 OH TYR A 517 2.806 -12.970 3.841 1.00 0.00 O ATOM 0 H TYR A 517 -0.607 -7.617 2.157 1.00 0.00 H new ATOM 0 HA TYR A 517 2.164 -7.059 2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.479 -8.441 0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.177 -8.138 0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 517 0.309 -9.265 3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 517 3.397 -10.111 0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 517 0.896 -11.292 4.469 1.00 0.00 H new ATOM 0 HE2 TYR A 517 3.987 -12.137 1.657 1.00 0.00 H new ATOM 0 HH TYR A 517 3.553 -13.424 3.398 1.00 0.00 H new ATOM 176 N TRP A 518 0.792 -5.632 -0.094 1.00 0.00 N ATOM 177 CA TRP A 518 0.934 -4.503 -1.011 1.00 0.00 C ATOM 178 C TRP A 518 0.060 -3.314 -0.614 1.00 0.00 C ATOM 179 O TRP A 518 0.062 -2.290 -1.294 1.00 0.00 O ATOM 180 CB TRP A 518 0.590 -4.942 -2.435 1.00 0.00 C ATOM 181 CG TRP A 518 1.728 -5.615 -3.140 1.00 0.00 C ATOM 182 CD1 TRP A 518 2.671 -5.019 -3.928 1.00 0.00 C ATOM 183 CD2 TRP A 518 2.043 -7.012 -3.123 1.00 0.00 C ATOM 184 NE1 TRP A 518 3.552 -5.960 -4.402 1.00 0.00 N ATOM 185 CE2 TRP A 518 3.188 -7.191 -3.922 1.00 0.00 C ATOM 186 CE3 TRP A 518 1.468 -8.129 -2.509 1.00 0.00 C ATOM 187 CZ2 TRP A 518 3.768 -8.441 -4.122 1.00 0.00 C ATOM 188 CZ3 TRP A 518 2.045 -9.369 -2.710 1.00 0.00 C ATOM 189 CH2 TRP A 518 3.184 -9.516 -3.510 1.00 0.00 C ATOM 0 H TRP A 518 0.024 -6.265 -0.319 1.00 0.00 H new ATOM 0 HA TRP A 518 1.973 -4.176 -0.960 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -0.261 -5.622 -2.402 1.00 0.00 H new ATOM 0 HB3 TRP A 518 0.279 -4.070 -3.011 1.00 0.00 H new ATOM 0 HD1 TRP A 518 2.717 -3.962 -4.146 1.00 0.00 H new ATOM 0 HE1 TRP A 518 4.348 -5.773 -5.012 1.00 0.00 H new ATOM 0 HE3 TRP A 518 0.590 -8.025 -1.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 4.647 -8.558 -4.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 1.609 -10.239 -2.242 1.00 0.00 H new ATOM 0 HH2 TRP A 518 3.611 -10.499 -3.647 1.00 0.00 H new ATOM 200 N THR A 519 -0.683 -3.446 0.479 1.00 0.00 N ATOM 201 CA THR A 519 -1.554 -2.369 0.943 1.00 0.00 C ATOM 202 C THR A 519 -2.606 -2.029 -0.120 1.00 0.00 C ATOM 203 O THR A 519 -3.768 -2.410 0.014 1.00 0.00 O ATOM 204 CB THR A 519 -0.722 -1.132 1.327 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.418 -0.347 0.189 1.00 0.00 O ATOM 206 CG2 THR A 519 0.587 -1.491 1.997 1.00 0.00 C ATOM 0 H THR A 519 -0.701 -4.284 1.060 1.00 0.00 H new ATOM 0 HA THR A 519 -2.082 -2.706 1.835 1.00 0.00 H new ATOM 0 HB THR A 519 -1.341 -0.573 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.236 -0.818 -0.368 1.00 0.00 H new ATOM 0 HG21 THR A 519 1.131 -0.579 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 519 0.387 -2.054 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.187 -2.099 1.320 1.00 0.00 H new ATOM 214 N THR A 520 -2.203 -1.333 -1.187 1.00 0.00 N ATOM 215 CA THR A 520 -3.130 -0.978 -2.261 1.00 0.00 C ATOM 216 C THR A 520 -2.444 -0.035 -3.234 1.00 0.00 C ATOM 217 O THR A 520 -2.232 -0.369 -4.399 1.00 0.00 O ATOM 218 CB THR A 520 -4.400 -0.328 -1.694 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.399 -1.302 -1.450 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.001 0.721 -2.604 1.00 0.00 C ATOM 0 H THR A 520 -1.247 -1.007 -1.328 1.00 0.00 H new ATOM 0 HA THR A 520 -3.423 -1.887 -2.786 1.00 0.00 H new ATOM 0 HB THR A 520 -4.082 0.155 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 520 -4.985 -2.111 -1.084 1.00 0.00 H new ATOM 0 HG21 THR A 520 -5.895 1.137 -2.139 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.275 1.517 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.267 0.266 -3.558 1.00 0.00 H new ATOM 228 N GLN A 521 -2.070 1.136 -2.736 1.00 0.00 N ATOM 229 CA GLN A 521 -1.372 2.109 -3.552 1.00 0.00 C ATOM 230 C GLN A 521 0.013 1.585 -3.878 1.00 0.00 C ATOM 231 O GLN A 521 0.683 2.083 -4.782 1.00 0.00 O ATOM 232 CB GLN A 521 -1.279 3.456 -2.831 1.00 0.00 C ATOM 233 CG GLN A 521 -2.196 4.523 -3.410 1.00 0.00 C ATOM 234 CD GLN A 521 -3.666 4.186 -3.246 1.00 0.00 C ATOM 235 OE1 GLN A 521 -4.056 3.805 -2.035 1.00 0.00 O flip ATOM 236 NE2 GLN A 521 -4.443 4.269 -4.196 1.00 0.00 N flip ATOM 0 H GLN A 521 -2.239 1.431 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 521 -1.928 2.264 -4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.522 3.312 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.249 3.811 -2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.990 5.476 -2.923 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -1.973 4.651 -4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -4.101 4.566 -5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -5.429 4.041 -4.070 1.00 0.00 H new ATOM 245 N ASP A 522 0.432 0.564 -3.136 1.00 0.00 N ATOM 246 CA ASP A 522 1.729 -0.031 -3.354 1.00 0.00 C ATOM 247 C ASP A 522 1.636 -1.236 -4.288 1.00 0.00 C ATOM 248 O ASP A 522 2.652 -1.737 -4.771 1.00 0.00 O ATOM 249 CB ASP A 522 2.377 -0.432 -2.027 1.00 0.00 C ATOM 250 CG ASP A 522 2.135 0.589 -0.933 1.00 0.00 C ATOM 251 OD1 ASP A 522 2.083 1.796 -1.250 1.00 0.00 O ATOM 252 OD2 ASP A 522 1.997 0.183 0.237 1.00 0.00 O ATOM 0 H ASP A 522 -0.111 0.139 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 522 2.359 0.720 -3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.984 -1.398 -1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 522 3.450 -0.557 -2.173 1.00 0.00 H new ATOM 257 N GLU A 523 0.411 -1.695 -4.546 1.00 0.00 N ATOM 258 CA GLU A 523 0.188 -2.837 -5.426 1.00 0.00 C ATOM 259 C GLU A 523 0.897 -2.639 -6.763 1.00 0.00 C ATOM 260 O GLU A 523 1.341 -3.598 -7.395 1.00 0.00 O ATOM 261 CB GLU A 523 -1.316 -3.044 -5.647 1.00 0.00 C ATOM 262 CG GLU A 523 -1.925 -2.114 -6.685 1.00 0.00 C ATOM 263 CD GLU A 523 -3.435 -2.228 -6.755 1.00 0.00 C ATOM 264 OE1 GLU A 523 -4.117 -1.617 -5.906 1.00 0.00 O ATOM 265 OE2 GLU A 523 -3.936 -2.929 -7.660 1.00 0.00 O ATOM 0 H GLU A 523 -0.441 -1.292 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 523 0.603 -3.725 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -1.489 -4.076 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -1.835 -2.902 -4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -1.652 -1.085 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.501 -2.340 -7.663 1.00 0.00 H new ATOM 272 N GLY A 524 0.997 -1.385 -7.182 1.00 0.00 N ATOM 273 CA GLY A 524 1.650 -1.068 -8.436 1.00 0.00 C ATOM 274 C GLY A 524 1.300 0.324 -8.923 1.00 0.00 C ATOM 275 O GLY A 524 1.080 0.538 -10.114 1.00 0.00 O ATOM 0 H GLY A 524 0.636 -0.578 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.730 -1.148 -8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.360 -1.799 -9.190 1.00 0.00 H new ATOM 279 N ALA A 525 1.241 1.270 -7.992 1.00 0.00 N ATOM 280 CA ALA A 525 0.907 2.651 -8.322 1.00 0.00 C ATOM 281 C ALA A 525 1.870 3.634 -7.664 1.00 0.00 C ATOM 282 O ALA A 525 2.161 4.694 -8.219 1.00 0.00 O ATOM 283 CB ALA A 525 -0.524 2.955 -7.909 1.00 0.00 C ATOM 0 H ALA A 525 1.420 1.105 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 525 1.001 2.770 -9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -0.763 3.988 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.205 2.287 -8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -0.632 2.808 -6.834 1.00 0.00 H new ATOM 289 N ALA A 526 2.367 3.279 -6.484 1.00 0.00 N ATOM 290 CA ALA A 526 3.298 4.133 -5.764 1.00 0.00 C ATOM 291 C ALA A 526 4.415 3.304 -5.163 1.00 0.00 C ATOM 292 O ALA A 526 4.648 3.322 -3.954 1.00 0.00 O ATOM 293 CB ALA A 526 2.576 4.930 -4.688 1.00 0.00 C ATOM 0 H ALA A 526 2.140 2.406 -6.008 1.00 0.00 H new ATOM 0 HA ALA A 526 3.735 4.840 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.291 5.562 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 526 1.811 5.554 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 526 2.108 4.245 -3.981 1.00 0.00 H new ATOM 299 N ILE A 527 5.096 2.567 -6.024 1.00 0.00 N ATOM 300 CA ILE A 527 6.187 1.713 -5.598 1.00 0.00 C ATOM 301 C ILE A 527 7.541 2.407 -5.749 1.00 0.00 C ATOM 302 O ILE A 527 8.524 2.005 -5.126 1.00 0.00 O ATOM 303 CB ILE A 527 6.163 0.378 -6.367 1.00 0.00 C ATOM 304 CG1 ILE A 527 5.997 0.595 -7.878 1.00 0.00 C ATOM 305 CG2 ILE A 527 5.012 -0.462 -5.847 1.00 0.00 C ATOM 306 CD1 ILE A 527 7.038 1.496 -8.500 1.00 0.00 C ATOM 0 H ILE A 527 4.910 2.544 -7.027 1.00 0.00 H new ATOM 0 HA ILE A 527 6.047 1.503 -4.538 1.00 0.00 H new ATOM 0 HB ILE A 527 7.115 -0.129 -6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 527 6.028 -0.374 -8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 527 5.010 1.018 -8.065 1.00 0.00 H new ATOM 0 HG21 ILE A 527 4.983 -1.411 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 527 5.151 -0.651 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 527 4.074 0.071 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 527 6.844 1.593 -9.568 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.994 2.480 -8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 527 8.028 1.066 -8.349 1.00 0.00 H new ATOM 318 N GLY A 528 7.569 3.463 -6.567 1.00 0.00 N ATOM 319 CA GLY A 528 8.783 4.241 -6.801 1.00 0.00 C ATOM 320 C GLY A 528 10.080 3.469 -6.610 1.00 0.00 C ATOM 321 O GLY A 528 10.165 2.281 -6.922 1.00 0.00 O ATOM 0 H GLY A 528 6.755 3.799 -7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.756 4.634 -7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 528 8.784 5.098 -6.128 1.00 0.00 H new ATOM 325 N LEU A 529 11.091 4.168 -6.103 1.00 0.00 N ATOM 326 CA LEU A 529 12.410 3.581 -5.863 1.00 0.00 C ATOM 327 C LEU A 529 12.352 2.469 -4.817 1.00 0.00 C ATOM 328 O LEU A 529 13.275 1.662 -4.707 1.00 0.00 O ATOM 329 CB LEU A 529 13.394 4.663 -5.402 1.00 0.00 C ATOM 330 CG LEU A 529 12.795 5.777 -4.530 1.00 0.00 C ATOM 331 CD1 LEU A 529 11.867 5.202 -3.466 1.00 0.00 C ATOM 332 CD2 LEU A 529 13.901 6.596 -3.885 1.00 0.00 C ATOM 0 H LEU A 529 11.022 5.153 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 529 12.751 3.147 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 529 14.199 4.183 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 529 13.844 5.119 -6.284 1.00 0.00 H new ATOM 0 HG LEU A 529 12.205 6.430 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 529 11.457 6.013 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 529 11.053 4.661 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 529 12.426 4.521 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 529 13.461 7.381 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 529 14.516 5.948 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 529 14.520 7.047 -4.661 1.00 0.00 H new ATOM 344 N ALA A 530 11.273 2.443 -4.046 1.00 0.00 N ATOM 345 CA ALA A 530 11.099 1.443 -3.000 1.00 0.00 C ATOM 346 C ALA A 530 10.581 0.121 -3.551 1.00 0.00 C ATOM 347 O ALA A 530 10.329 -0.816 -2.793 1.00 0.00 O ATOM 348 CB ALA A 530 10.147 1.964 -1.946 1.00 0.00 C ATOM 0 H ALA A 530 10.502 3.106 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 530 12.078 1.256 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 530 10.021 1.213 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.553 2.876 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 530 9.181 2.179 -2.403 1.00 0.00 H new ATOM 354 N TRP A 531 10.405 0.047 -4.863 1.00 0.00 N ATOM 355 CA TRP A 531 9.897 -1.162 -5.495 1.00 0.00 C ATOM 356 C TRP A 531 10.930 -2.291 -5.503 1.00 0.00 C ATOM 357 O TRP A 531 10.892 -3.168 -6.365 1.00 0.00 O ATOM 358 CB TRP A 531 9.435 -0.843 -6.917 1.00 0.00 C ATOM 359 CG TRP A 531 10.557 -0.680 -7.898 1.00 0.00 C ATOM 360 CD1 TRP A 531 11.816 -0.221 -7.636 1.00 0.00 C ATOM 361 CD2 TRP A 531 10.518 -0.972 -9.300 1.00 0.00 C ATOM 362 NE1 TRP A 531 12.564 -0.212 -8.790 1.00 0.00 N ATOM 363 CE2 TRP A 531 11.789 -0.668 -9.824 1.00 0.00 C ATOM 364 CE3 TRP A 531 9.533 -1.462 -10.161 1.00 0.00 C ATOM 365 CZ2 TRP A 531 12.099 -0.839 -11.171 1.00 0.00 C ATOM 366 CZ3 TRP A 531 9.842 -1.631 -11.499 1.00 0.00 C ATOM 367 CH2 TRP A 531 11.116 -1.320 -11.992 1.00 0.00 C ATOM 0 H TRP A 531 10.606 0.810 -5.510 1.00 0.00 H new ATOM 0 HA TRP A 531 9.050 -1.516 -4.907 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.777 -1.640 -7.262 1.00 0.00 H new ATOM 0 HB3 TRP A 531 8.844 0.073 -6.900 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.172 0.089 -6.665 1.00 0.00 H new ATOM 0 HE1 TRP A 531 13.537 0.086 -8.864 1.00 0.00 H new ATOM 0 HE3 TRP A 531 8.548 -1.704 -9.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 13.080 -0.600 -11.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 9.089 -2.009 -12.174 1.00 0.00 H new ATOM 0 HH2 TRP A 531 11.326 -1.463 -13.042 1.00 0.00 H new ATOM 378 N ILE A 532 11.836 -2.275 -4.528 1.00 0.00 N ATOM 379 CA ILE A 532 12.859 -3.303 -4.413 1.00 0.00 C ATOM 380 C ILE A 532 13.410 -3.354 -2.989 1.00 0.00 C ATOM 381 O ILE A 532 14.540 -2.936 -2.735 1.00 0.00 O ATOM 382 CB ILE A 532 14.023 -3.065 -5.398 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.632 -1.677 -5.178 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.546 -3.222 -6.834 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.094 -1.714 -4.786 1.00 0.00 C ATOM 0 H ILE A 532 11.880 -1.557 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 532 12.386 -4.254 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 532 14.795 -3.812 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.524 -1.093 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.069 -1.161 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.380 -3.051 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.159 -4.230 -6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.757 -2.498 -7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.459 -0.696 -4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.207 -2.271 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.669 -2.201 -5.573 1.00 0.00 H new ATOM 397 N PRO A 533 12.610 -3.864 -2.039 1.00 0.00 N ATOM 398 CA PRO A 533 13.006 -3.969 -0.630 1.00 0.00 C ATOM 399 C PRO A 533 14.376 -4.617 -0.452 1.00 0.00 C ATOM 400 O PRO A 533 14.483 -5.833 -0.288 1.00 0.00 O ATOM 401 CB PRO A 533 11.909 -4.844 -0.001 1.00 0.00 C ATOM 402 CG PRO A 533 11.104 -5.374 -1.144 1.00 0.00 C ATOM 403 CD PRO A 533 11.252 -4.377 -2.255 1.00 0.00 C ATOM 0 HA PRO A 533 13.097 -2.986 -0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 533 12.343 -5.657 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 533 11.287 -4.262 0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 533 11.463 -6.356 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.058 -5.491 -0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.144 -4.842 -3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 533 10.504 -3.586 -2.194 1.00 0.00 H new ATOM 411 N TYR A 534 15.421 -3.796 -0.483 1.00 0.00 N ATOM 412 CA TYR A 534 16.786 -4.284 -0.324 1.00 0.00 C ATOM 413 C TYR A 534 17.261 -4.141 1.121 1.00 0.00 C ATOM 414 O TYR A 534 18.109 -4.904 1.583 1.00 0.00 O ATOM 415 CB TYR A 534 17.731 -3.527 -1.260 1.00 0.00 C ATOM 416 CG TYR A 534 19.143 -4.068 -1.266 1.00 0.00 C ATOM 417 CD1 TYR A 534 19.494 -5.133 -2.087 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.123 -3.516 -0.451 1.00 0.00 C ATOM 419 CE1 TYR A 534 20.784 -5.630 -2.096 1.00 0.00 C ATOM 420 CE2 TYR A 534 21.414 -4.008 -0.455 1.00 0.00 C ATOM 421 CZ TYR A 534 21.740 -5.065 -1.279 1.00 0.00 C ATOM 422 OH TYR A 534 23.025 -5.557 -1.286 1.00 0.00 O ATOM 0 H TYR A 534 15.348 -2.787 -0.617 1.00 0.00 H new ATOM 0 HA TYR A 534 16.795 -5.343 -0.582 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.332 -3.566 -2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 534 17.755 -2.477 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 534 18.748 -5.579 -2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 534 19.872 -2.689 0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 534 21.042 -6.457 -2.740 1.00 0.00 H new ATOM 0 HE2 TYR A 534 22.165 -3.567 0.184 1.00 0.00 H new ATOM 0 HH TYR A 534 23.574 -5.047 -0.655 1.00 0.00 H new ATOM 432 N PHE A 535 16.717 -3.153 1.828 1.00 0.00 N ATOM 433 CA PHE A 535 17.096 -2.905 3.216 1.00 0.00 C ATOM 434 C PHE A 535 16.533 -3.975 4.150 1.00 0.00 C ATOM 435 O PHE A 535 17.170 -4.346 5.135 1.00 0.00 O ATOM 436 CB PHE A 535 16.611 -1.525 3.661 1.00 0.00 C ATOM 437 CG PHE A 535 16.998 -0.419 2.721 1.00 0.00 C ATOM 438 CD1 PHE A 535 18.212 0.234 2.861 1.00 0.00 C ATOM 439 CD2 PHE A 535 16.147 -0.032 1.698 1.00 0.00 C ATOM 440 CE1 PHE A 535 18.570 1.253 1.998 1.00 0.00 C ATOM 441 CE2 PHE A 535 16.500 0.987 0.832 1.00 0.00 C ATOM 442 CZ PHE A 535 17.713 1.630 0.983 1.00 0.00 C ATOM 0 H PHE A 535 16.013 -2.512 1.462 1.00 0.00 H new ATOM 0 HA PHE A 535 18.184 -2.942 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 535 15.526 -1.545 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 535 17.016 -1.308 4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 535 18.886 -0.056 3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 535 15.197 -0.532 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 535 19.519 1.754 2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 535 15.828 1.280 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 535 17.991 2.426 0.308 1.00 0.00 H new ATOM 452 N GLY A 536 15.337 -4.462 3.838 1.00 0.00 N ATOM 453 CA GLY A 536 14.716 -5.480 4.668 1.00 0.00 C ATOM 454 C GLY A 536 13.201 -5.434 4.609 1.00 0.00 C ATOM 455 O GLY A 536 12.569 -6.371 4.120 1.00 0.00 O ATOM 0 H GLY A 536 14.788 -4.172 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 536 15.059 -6.464 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 536 15.040 -5.350 5.700 1.00 0.00 H new ATOM 459 N PRO A 537 12.582 -4.344 5.097 1.00 0.00 N ATOM 460 CA PRO A 537 11.125 -4.191 5.085 1.00 0.00 C ATOM 461 C PRO A 537 10.560 -4.299 3.679 1.00 0.00 C ATOM 462 O PRO A 537 11.230 -4.779 2.766 1.00 0.00 O ATOM 463 CB PRO A 537 10.896 -2.780 5.649 1.00 0.00 C ATOM 464 CG PRO A 537 12.216 -2.096 5.542 1.00 0.00 C ATOM 465 CD PRO A 537 13.246 -3.175 5.689 1.00 0.00 C ATOM 0 HA PRO A 537 10.628 -4.970 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 537 10.131 -2.249 5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 537 10.556 -2.820 6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 537 12.316 -1.587 4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 537 12.329 -1.339 6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 537 14.169 -2.926 5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 537 13.507 -3.345 6.733 1.00 0.00 H new ATOM 473 N ALA A 538 9.328 -3.842 3.508 1.00 0.00 N ATOM 474 CA ALA A 538 8.682 -3.882 2.204 1.00 0.00 C ATOM 475 C ALA A 538 9.218 -2.776 1.310 1.00 0.00 C ATOM 476 O ALA A 538 9.551 -3.011 0.149 1.00 0.00 O ATOM 477 CB ALA A 538 7.173 -3.758 2.346 1.00 0.00 C ATOM 0 H ALA A 538 8.758 -3.441 4.252 1.00 0.00 H new ATOM 0 HA ALA A 538 8.907 -4.844 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 538 6.711 -3.790 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 538 6.795 -4.583 2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 538 6.930 -2.812 2.830 1.00 0.00 H new ATOM 483 N ALA A 539 9.302 -1.567 1.861 1.00 0.00 N ATOM 484 CA ALA A 539 9.802 -0.409 1.114 1.00 0.00 C ATOM 485 C ALA A 539 8.816 0.035 0.048 1.00 0.00 C ATOM 486 O ALA A 539 8.449 1.206 -0.036 1.00 0.00 O ATOM 487 CB ALA A 539 11.126 -0.741 0.458 1.00 0.00 C ATOM 0 H ALA A 539 9.031 -1.361 2.822 1.00 0.00 H new ATOM 0 HA ALA A 539 9.934 0.406 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.487 0.127 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.853 -1.012 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 539 10.992 -1.577 -0.228 1.00 0.00 H new ATOM 493 N GLU A 540 8.414 -0.924 -0.770 1.00 0.00 N ATOM 494 CA GLU A 540 7.486 -0.703 -1.869 1.00 0.00 C ATOM 495 C GLU A 540 6.398 0.316 -1.519 1.00 0.00 C ATOM 496 O GLU A 540 5.910 1.033 -2.392 1.00 0.00 O ATOM 497 CB GLU A 540 6.854 -2.042 -2.236 1.00 0.00 C ATOM 498 CG GLU A 540 7.492 -2.717 -3.439 1.00 0.00 C ATOM 499 CD GLU A 540 6.858 -4.057 -3.758 1.00 0.00 C ATOM 500 OE1 GLU A 540 5.647 -4.216 -3.499 1.00 0.00 O ATOM 501 OE2 GLU A 540 7.573 -4.946 -4.268 1.00 0.00 O ATOM 0 H GLU A 540 8.727 -1.891 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 540 8.039 -0.290 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.922 -2.711 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.794 -1.889 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.406 -2.063 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 540 8.556 -2.858 -3.250 1.00 0.00 H new ATOM 508 N GLY A 541 6.023 0.378 -0.247 1.00 0.00 N ATOM 509 CA GLY A 541 4.996 1.318 0.171 1.00 0.00 C ATOM 510 C GLY A 541 5.427 2.207 1.324 1.00 0.00 C ATOM 511 O GLY A 541 4.859 3.280 1.528 1.00 0.00 O ATOM 0 H GLY A 541 6.408 -0.201 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.720 1.944 -0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.104 0.764 0.463 1.00 0.00 H new ATOM 515 N ILE A 542 6.417 1.761 2.088 1.00 0.00 N ATOM 516 CA ILE A 542 6.897 2.527 3.234 1.00 0.00 C ATOM 517 C ILE A 542 8.125 3.373 2.900 1.00 0.00 C ATOM 518 O ILE A 542 8.436 4.324 3.617 1.00 0.00 O ATOM 519 CB ILE A 542 7.215 1.622 4.446 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.073 0.424 4.032 1.00 0.00 C ATOM 521 CG2 ILE A 542 5.926 1.149 5.102 1.00 0.00 C ATOM 522 CD1 ILE A 542 9.559 0.703 4.066 1.00 0.00 C ATOM 0 H ILE A 542 6.902 0.877 1.937 1.00 0.00 H new ATOM 0 HA ILE A 542 6.078 3.197 3.498 1.00 0.00 H new ATOM 0 HB ILE A 542 7.784 2.209 5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 542 7.854 -0.415 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 542 7.792 0.118 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.164 0.512 5.954 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.353 2.012 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 542 5.337 0.584 4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.104 -0.190 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 542 9.791 1.521 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 542 9.854 0.980 5.078 1.00 0.00 H new ATOM 534 N TYR A 543 8.820 3.044 1.813 1.00 0.00 N ATOM 535 CA TYR A 543 10.001 3.809 1.421 1.00 0.00 C ATOM 536 C TYR A 543 9.765 4.530 0.096 1.00 0.00 C ATOM 537 O TYR A 543 10.548 5.395 -0.299 1.00 0.00 O ATOM 538 CB TYR A 543 11.225 2.896 1.312 1.00 0.00 C ATOM 539 CG TYR A 543 12.454 3.450 1.997 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.607 3.354 3.375 1.00 0.00 C ATOM 541 CD2 TYR A 543 13.459 4.070 1.267 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.727 3.861 4.005 1.00 0.00 C ATOM 543 CE2 TYR A 543 14.584 4.578 1.890 1.00 0.00 C ATOM 544 CZ TYR A 543 14.712 4.472 3.259 1.00 0.00 C ATOM 545 OH TYR A 543 15.830 4.977 3.882 1.00 0.00 O ATOM 0 H TYR A 543 8.590 2.265 1.196 1.00 0.00 H new ATOM 0 HA TYR A 543 10.189 4.555 2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.984 1.925 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 543 11.450 2.728 0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.838 2.875 3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 543 13.361 4.157 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.830 3.779 5.077 1.00 0.00 H new ATOM 0 HE2 TYR A 543 15.358 5.055 1.308 1.00 0.00 H new ATOM 0 HH TYR A 543 16.426 5.373 3.213 1.00 0.00 H new ATOM 555 N ALA A 544 8.683 4.169 -0.583 1.00 0.00 N ATOM 556 CA ALA A 544 8.338 4.775 -1.856 1.00 0.00 C ATOM 557 C ALA A 544 7.207 5.775 -1.684 1.00 0.00 C ATOM 558 O ALA A 544 7.160 6.809 -2.350 1.00 0.00 O ATOM 559 CB ALA A 544 7.933 3.692 -2.839 1.00 0.00 C ATOM 0 H ALA A 544 8.027 3.454 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 544 9.208 5.307 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 544 7.674 4.147 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 544 8.763 2.999 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 544 7.071 3.151 -2.449 1.00 0.00 H new ATOM 565 N GLU A 545 6.288 5.440 -0.789 1.00 0.00 N ATOM 566 CA GLU A 545 5.133 6.286 -0.521 1.00 0.00 C ATOM 567 C GLU A 545 5.115 6.763 0.928 1.00 0.00 C ATOM 568 O GLU A 545 4.651 7.866 1.218 1.00 0.00 O ATOM 569 CB GLU A 545 3.860 5.492 -0.818 1.00 0.00 C ATOM 570 CG GLU A 545 2.575 6.186 -0.386 1.00 0.00 C ATOM 571 CD GLU A 545 2.037 7.130 -1.444 1.00 0.00 C ATOM 572 OE1 GLU A 545 2.687 8.166 -1.702 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.967 6.832 -2.016 1.00 0.00 O ATOM 0 H GLU A 545 6.320 4.585 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 545 5.190 7.167 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 545 3.810 5.294 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.923 4.526 -0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 545 1.820 5.434 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 545 2.759 6.743 0.533 1.00 0.00 H new ATOM 580 N GLY A 546 5.617 5.923 1.831 1.00 0.00 N ATOM 581 CA GLY A 546 5.647 6.264 3.244 1.00 0.00 C ATOM 582 C GLY A 546 4.408 7.017 3.690 1.00 0.00 C ATOM 583 O GLY A 546 4.511 8.081 4.301 1.00 0.00 O ATOM 0 H GLY A 546 6.006 5.007 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.744 5.351 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.529 6.870 3.449 1.00 0.00 H new ATOM 587 N LEU A 547 3.232 6.476 3.376 1.00 0.00 N ATOM 588 CA LEU A 547 1.986 7.130 3.746 1.00 0.00 C ATOM 589 C LEU A 547 0.774 6.247 3.442 1.00 0.00 C ATOM 590 O LEU A 547 -0.114 6.092 4.279 1.00 0.00 O ATOM 591 CB LEU A 547 1.890 8.491 3.040 1.00 0.00 C ATOM 592 CG LEU A 547 1.099 8.531 1.727 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.358 8.878 1.990 1.00 0.00 C ATOM 594 CD2 LEU A 547 1.722 9.534 0.766 1.00 0.00 C ATOM 0 H LEU A 547 3.120 5.596 2.872 1.00 0.00 H new ATOM 0 HA LEU A 547 1.984 7.296 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.438 9.202 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.902 8.842 2.838 1.00 0.00 H new ATOM 0 HG LEU A 547 1.137 7.542 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -0.903 8.901 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.799 8.126 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 547 -0.419 9.856 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 547 1.150 9.552 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.712 10.526 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 547 2.751 9.243 0.553 1.00 0.00 H new ATOM 606 N MET A 548 0.750 5.661 2.250 1.00 0.00 N ATOM 607 CA MET A 548 -0.345 4.785 1.853 1.00 0.00 C ATOM 608 C MET A 548 0.011 3.325 2.091 1.00 0.00 C ATOM 609 O MET A 548 -0.689 2.423 1.633 1.00 0.00 O ATOM 610 CB MET A 548 -0.721 4.993 0.383 1.00 0.00 C ATOM 611 CG MET A 548 -1.951 5.865 0.184 1.00 0.00 C ATOM 612 SD MET A 548 -1.587 7.399 -0.693 1.00 0.00 S ATOM 613 CE MET A 548 -3.122 8.293 -0.460 1.00 0.00 C ATOM 0 H MET A 548 1.476 5.777 1.543 1.00 0.00 H new ATOM 0 HA MET A 548 -1.205 5.044 2.470 1.00 0.00 H new ATOM 0 HB2 MET A 548 0.123 5.446 -0.138 1.00 0.00 H new ATOM 0 HB3 MET A 548 -0.897 4.021 -0.079 1.00 0.00 H new ATOM 0 HG2 MET A 548 -2.702 5.304 -0.372 1.00 0.00 H new ATOM 0 HG3 MET A 548 -2.384 6.102 1.156 1.00 0.00 H new ATOM 0 HE1 MET A 548 -3.054 9.266 -0.947 1.00 0.00 H new ATOM 0 HE2 MET A 548 -3.944 7.725 -0.897 1.00 0.00 H new ATOM 0 HE3 MET A 548 -3.304 8.433 0.606 1.00 0.00 H new ATOM 623 N HIS A 549 1.097 3.091 2.812 1.00 0.00 N ATOM 624 CA HIS A 549 1.516 1.734 3.104 1.00 0.00 C ATOM 625 C HIS A 549 0.534 1.069 4.061 1.00 0.00 C ATOM 626 O HIS A 549 0.593 -0.137 4.292 1.00 0.00 O ATOM 627 CB HIS A 549 2.924 1.721 3.699 1.00 0.00 C ATOM 628 CG HIS A 549 3.070 2.591 4.909 1.00 0.00 C ATOM 629 ND1 HIS A 549 3.683 3.827 4.877 1.00 0.00 N ATOM 630 CD2 HIS A 549 2.680 2.400 6.191 1.00 0.00 C ATOM 631 CE1 HIS A 549 3.664 4.356 6.087 1.00 0.00 C ATOM 632 NE2 HIS A 549 3.060 3.512 6.902 1.00 0.00 N ATOM 0 H HIS A 549 1.698 3.818 3.201 1.00 0.00 H new ATOM 0 HA HIS A 549 1.530 1.172 2.170 1.00 0.00 H new ATOM 0 HB2 HIS A 549 3.188 0.697 3.964 1.00 0.00 H new ATOM 0 HB3 HIS A 549 3.634 2.047 2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 549 2.166 1.534 6.582 1.00 0.00 H new ATOM 0 HE1 HIS A 549 4.073 5.317 6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 549 2.901 3.661 7.898 1.00 0.00 H new ATOM 641 N ASN A 550 -0.359 1.871 4.629 1.00 0.00 N ATOM 642 CA ASN A 550 -1.344 1.368 5.571 1.00 0.00 C ATOM 643 C ASN A 550 -2.676 1.065 4.891 1.00 0.00 C ATOM 644 O ASN A 550 -3.510 0.347 5.442 1.00 0.00 O ATOM 645 CB ASN A 550 -1.548 2.390 6.688 1.00 0.00 C ATOM 646 CG ASN A 550 -2.605 1.964 7.691 1.00 0.00 C ATOM 647 OD1 ASN A 550 -2.623 0.820 8.143 1.00 0.00 O ATOM 648 ND2 ASN A 550 -3.492 2.888 8.042 1.00 0.00 N ATOM 0 H ASN A 550 -0.419 2.874 4.451 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.968 0.433 5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -0.603 2.546 7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.833 3.347 6.251 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -4.227 2.661 8.712 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -3.439 3.824 7.641 1.00 0.00 H new ATOM 655 N GLN A 551 -2.874 1.614 3.701 1.00 0.00 N ATOM 656 CA GLN A 551 -4.109 1.393 2.953 1.00 0.00 C ATOM 657 C GLN A 551 -4.191 -0.050 2.469 1.00 0.00 C ATOM 658 O GLN A 551 -4.211 -0.314 1.270 1.00 0.00 O ATOM 659 CB GLN A 551 -4.206 2.347 1.756 1.00 0.00 C ATOM 660 CG GLN A 551 -3.462 3.658 1.947 1.00 0.00 C ATOM 661 CD GLN A 551 -3.998 4.471 3.110 1.00 0.00 C ATOM 662 OE1 GLN A 551 -5.117 4.983 3.061 1.00 0.00 O ATOM 663 NE2 GLN A 551 -3.198 4.597 4.162 1.00 0.00 N ATOM 0 H GLN A 551 -2.198 2.216 3.231 1.00 0.00 H new ATOM 0 HA GLN A 551 -4.944 1.592 3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -3.814 1.845 0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.256 2.563 1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -2.405 3.450 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.533 4.248 1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -2.279 4.155 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.503 5.135 4.973 1.00 0.00 H new ATOM 672 N ASP A 552 -4.235 -0.980 3.412 1.00 0.00 N ATOM 673 CA ASP A 552 -4.312 -2.398 3.085 1.00 0.00 C ATOM 674 C ASP A 552 -5.755 -2.881 3.069 1.00 0.00 C ATOM 675 O ASP A 552 -6.017 -4.071 3.222 1.00 0.00 O ATOM 676 CB ASP A 552 -3.507 -3.218 4.094 1.00 0.00 C ATOM 677 CG ASP A 552 -2.130 -2.638 4.346 1.00 0.00 C ATOM 678 OD1 ASP A 552 -2.035 -1.630 5.078 1.00 0.00 O ATOM 679 OD2 ASP A 552 -1.146 -3.192 3.812 1.00 0.00 O ATOM 0 H ASP A 552 -4.219 -0.778 4.412 1.00 0.00 H new ATOM 0 HA ASP A 552 -3.891 -2.534 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -4.054 -3.269 5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -3.406 -4.240 3.729 1.00 0.00 H new ATOM 684 N GLY A 553 -6.688 -1.951 2.896 1.00 0.00 N ATOM 685 CA GLY A 553 -8.093 -2.299 2.881 1.00 0.00 C ATOM 686 C GLY A 553 -8.823 -1.676 4.048 1.00 0.00 C ATOM 687 O GLY A 553 -9.985 -1.286 3.938 1.00 0.00 O ATOM 0 H GLY A 553 -6.493 -0.958 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -8.543 -1.964 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.202 -3.383 2.917 1.00 0.00 H new ATOM 691 N LEU A 554 -8.119 -1.568 5.169 1.00 0.00 N ATOM 692 CA LEU A 554 -8.669 -0.970 6.377 1.00 0.00 C ATOM 693 C LEU A 554 -9.225 0.410 6.072 1.00 0.00 C ATOM 694 O LEU A 554 -10.361 0.737 6.413 1.00 0.00 O ATOM 695 CB LEU A 554 -7.576 -0.838 7.431 1.00 0.00 C ATOM 696 CG LEU A 554 -6.677 -2.068 7.595 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.240 -1.735 7.224 1.00 0.00 C ATOM 698 CD2 LEU A 554 -6.752 -2.599 9.019 1.00 0.00 C ATOM 0 H LEU A 554 -7.156 -1.891 5.265 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.468 -1.611 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -6.951 0.018 7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.043 -0.619 8.391 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.034 -2.845 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -4.618 -2.621 7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.199 -1.404 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -4.872 -0.940 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -6.107 -3.472 9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -6.423 -1.826 9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -7.780 -2.880 9.249 1.00 0.00 H new ATOM 710 N ILE A 555 -8.394 1.211 5.425 1.00 0.00 N ATOM 711 CA ILE A 555 -8.748 2.565 5.054 1.00 0.00 C ATOM 712 C ILE A 555 -9.586 2.579 3.776 1.00 0.00 C ATOM 713 O ILE A 555 -9.251 3.250 2.800 1.00 0.00 O ATOM 714 CB ILE A 555 -7.467 3.396 4.863 1.00 0.00 C ATOM 715 CG1 ILE A 555 -6.648 3.440 6.159 1.00 0.00 C ATOM 716 CG2 ILE A 555 -7.795 4.803 4.392 1.00 0.00 C ATOM 717 CD1 ILE A 555 -7.488 3.418 7.421 1.00 0.00 C ATOM 0 H ILE A 555 -7.453 0.936 5.143 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.347 3.003 5.852 1.00 0.00 H new ATOM 0 HB ILE A 555 -6.866 2.912 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -5.966 2.590 6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.035 4.341 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -6.872 5.369 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.324 4.754 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.424 5.297 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.835 3.452 8.293 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.152 4.282 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.082 2.504 7.447 1.00 0.00 H new ATOM 729 N CYS A 556 -10.679 1.829 3.800 1.00 0.00 N ATOM 730 CA CYS A 556 -11.582 1.741 2.659 1.00 0.00 C ATOM 731 C CYS A 556 -12.765 2.692 2.822 1.00 0.00 C ATOM 732 O CYS A 556 -13.569 2.851 1.906 1.00 0.00 O ATOM 733 CB CYS A 556 -12.095 0.311 2.497 1.00 0.00 C ATOM 734 SG CYS A 556 -13.063 -0.296 3.915 1.00 0.00 S ATOM 0 H CYS A 556 -10.964 1.269 4.603 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.023 2.028 1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.712 0.257 1.600 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -11.245 -0.353 2.340 1.00 0.00 H new ATOM 739 N GLY A 557 -12.868 3.313 3.998 1.00 0.00 N ATOM 740 CA GLY A 557 -13.963 4.231 4.273 1.00 0.00 C ATOM 741 C GLY A 557 -14.055 5.400 3.302 1.00 0.00 C ATOM 742 O GLY A 557 -14.958 6.230 3.415 1.00 0.00 O ATOM 0 H GLY A 557 -12.209 3.195 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.902 3.677 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -13.850 4.621 5.284 1.00 0.00 H new ATOM 746 N LEU A 558 -13.123 5.480 2.359 1.00 0.00 N ATOM 747 CA LEU A 558 -13.102 6.566 1.379 1.00 0.00 C ATOM 748 C LEU A 558 -14.268 6.498 0.382 1.00 0.00 C ATOM 749 O LEU A 558 -14.146 6.980 -0.744 1.00 0.00 O ATOM 750 CB LEU A 558 -11.780 6.536 0.613 1.00 0.00 C ATOM 751 CG LEU A 558 -11.448 5.191 -0.036 1.00 0.00 C ATOM 752 CD1 LEU A 558 -12.316 4.961 -1.262 1.00 0.00 C ATOM 753 CD2 LEU A 558 -9.972 5.127 -0.404 1.00 0.00 C ATOM 0 H LEU A 558 -12.367 4.803 2.250 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.208 7.498 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -11.808 7.301 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -10.974 6.803 1.296 1.00 0.00 H new ATOM 0 HG LEU A 558 -11.657 4.400 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -12.065 3.999 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -13.366 4.963 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -12.140 5.756 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -9.753 4.164 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -9.737 5.927 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -9.367 5.245 0.495 1.00 0.00 H new ATOM 765 N ARG A 559 -15.395 5.918 0.787 1.00 0.00 N ATOM 766 CA ARG A 559 -16.557 5.822 -0.094 1.00 0.00 C ATOM 767 C ARG A 559 -17.268 7.169 -0.185 1.00 0.00 C ATOM 768 O ARG A 559 -16.734 8.194 0.239 1.00 0.00 O ATOM 769 CB ARG A 559 -17.532 4.757 0.413 1.00 0.00 C ATOM 770 CG ARG A 559 -16.863 3.452 0.805 1.00 0.00 C ATOM 771 CD ARG A 559 -16.489 3.440 2.277 1.00 0.00 C ATOM 772 NE ARG A 559 -16.865 2.188 2.928 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.365 0.999 2.597 1.00 0.00 C ATOM 774 NH1 ARG A 559 -15.454 0.900 1.637 1.00 0.00 N ATOM 775 NH2 ARG A 559 -16.773 -0.091 3.230 1.00 0.00 N ATOM 0 H ARG A 559 -15.529 5.510 1.712 1.00 0.00 H new ATOM 0 HA ARG A 559 -16.208 5.536 -1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -18.071 5.151 1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -18.272 4.557 -0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.534 2.620 0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -15.969 3.304 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -15.415 3.593 2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -16.979 4.272 2.782 1.00 0.00 H new ATOM 0 HE ARG A 559 -17.552 2.227 3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -15.134 1.737 1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -15.074 -0.013 1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -17.470 -0.020 3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -16.390 -1.002 2.976 1.00 0.00 H new ATOM 789 N GLN A 560 -18.477 7.162 -0.741 1.00 0.00 N ATOM 790 CA GLN A 560 -19.261 8.383 -0.886 1.00 0.00 C ATOM 791 C GLN A 560 -18.508 9.419 -1.714 1.00 0.00 C ATOM 792 O GLN A 560 -17.738 10.205 -1.122 1.00 0.00 O ATOM 793 CB GLN A 560 -19.600 8.962 0.490 1.00 0.00 C ATOM 794 CG GLN A 560 -20.248 7.957 1.428 1.00 0.00 C ATOM 795 CD GLN A 560 -19.753 8.090 2.855 1.00 0.00 C ATOM 796 OE1 GLN A 560 -20.085 9.047 3.554 1.00 0.00 O ATOM 797 NE2 GLN A 560 -18.955 7.124 3.298 1.00 0.00 N ATOM 798 OXT GLN A 560 -18.693 9.436 -2.950 1.00 0.00 O ATOM 0 H GLN A 560 -18.934 6.323 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 560 -20.186 8.132 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -18.688 9.341 0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -20.270 9.812 0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -21.329 8.092 1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -20.046 6.948 1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -18.705 6.348 2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -18.593 7.158 4.251 1.00 0.00 H new TER 807 GLN A 560