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 521 GLN :FLIP amide:sc= -0.993 F(o=-15,f=-9.5) USER MOD Set 1.2: A 548 MET CE :methyl 149:sc= -0.659 (180deg=0) USER MOD Set 1.3: A 551 GLN : amide:sc= -7.84! C(o=-9.5!,f=-13!) USER MOD Set 2.1: A 549 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-3.8!) USER MOD Set 2.2: A 550 ASN : amide:sc= -0.0625 X(o=-3.7,f=-3.9) USER MOD Set 3.1: A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 520 THR OG1 : rot 39:sc= 1.07 USER MOD Single : A 508 GLN : amide:sc= -0.0793 K(o=-0.079,f=-0.62) USER MOD Single : A 512 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.3!) USER MOD Single : A 514 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.15) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -64:sc= -0.168! 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 560 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -16.550 5.856 -3.587 1.00 0.00 N ATOM 2 CA ALA A 507 -15.651 5.228 -4.591 1.00 0.00 C ATOM 3 C ALA A 507 -15.749 3.707 -4.537 1.00 0.00 C ATOM 4 O ALA A 507 -16.630 3.155 -3.879 1.00 0.00 O ATOM 5 CB ALA A 507 -14.211 5.672 -4.369 1.00 0.00 C ATOM 0 HA ALA A 507 -15.970 5.555 -5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.567 5.203 -5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -14.146 6.756 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -13.889 5.376 -3.371 1.00 0.00 H new ATOM 13 N GLN A 508 -14.838 3.037 -5.233 1.00 0.00 N ATOM 14 CA GLN A 508 -14.819 1.579 -5.265 1.00 0.00 C ATOM 15 C GLN A 508 -13.431 1.046 -4.916 1.00 0.00 C ATOM 16 O GLN A 508 -12.622 0.772 -5.802 1.00 0.00 O ATOM 17 CB GLN A 508 -15.246 1.072 -6.645 1.00 0.00 C ATOM 18 CG GLN A 508 -16.561 0.311 -6.632 1.00 0.00 C ATOM 19 CD GLN A 508 -16.661 -0.699 -7.758 1.00 0.00 C ATOM 20 OE1 GLN A 508 -15.706 -1.418 -8.051 1.00 0.00 O ATOM 21 NE2 GLN A 508 -17.824 -0.758 -8.399 1.00 0.00 N ATOM 0 H GLN A 508 -14.102 3.480 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 508 -15.525 1.213 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -15.333 1.920 -7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -14.465 0.424 -7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -16.670 -0.203 -5.677 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -17.387 1.018 -6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -18.590 -0.143 -8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -17.950 -1.418 -9.166 1.00 0.00 H new ATOM 30 N PRO A 509 -13.134 0.894 -3.615 1.00 0.00 N ATOM 31 CA PRO A 509 -11.846 0.399 -3.143 1.00 0.00 C ATOM 32 C PRO A 509 -11.785 -1.125 -3.126 1.00 0.00 C ATOM 33 O PRO A 509 -10.709 -1.706 -3.038 1.00 0.00 O ATOM 34 CB PRO A 509 -11.750 0.952 -1.710 1.00 0.00 C ATOM 35 CG PRO A 509 -13.047 1.656 -1.440 1.00 0.00 C ATOM 36 CD PRO A 509 -14.019 1.192 -2.488 1.00 0.00 C ATOM 0 HA PRO A 509 -11.028 0.714 -3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -11.588 0.147 -0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -10.908 1.638 -1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -13.414 1.421 -0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.917 2.737 -1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -14.578 0.314 -2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -14.750 1.962 -2.736 1.00 0.00 H new ATOM 44 N LYS A 510 -12.953 -1.761 -3.194 1.00 0.00 N ATOM 45 CA LYS A 510 -13.061 -3.221 -3.174 1.00 0.00 C ATOM 46 C LYS A 510 -13.030 -3.756 -1.742 1.00 0.00 C ATOM 47 O LYS A 510 -13.405 -4.901 -1.488 1.00 0.00 O ATOM 48 CB LYS A 510 -11.955 -3.866 -4.031 1.00 0.00 C ATOM 49 CG LYS A 510 -10.801 -4.459 -3.233 1.00 0.00 C ATOM 50 CD LYS A 510 -9.467 -4.248 -3.931 1.00 0.00 C ATOM 51 CE LYS A 510 -8.635 -3.189 -3.225 1.00 0.00 C ATOM 52 NZ LYS A 510 -7.211 -3.600 -3.081 1.00 0.00 N ATOM 0 H LYS A 510 -13.850 -1.281 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 510 -14.023 -3.492 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -12.399 -4.652 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -11.559 -3.115 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -10.770 -4.002 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -10.970 -5.526 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -8.916 -5.188 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -9.639 -3.949 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.688 -2.255 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -9.057 -2.994 -2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.680 -2.849 -2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -7.157 -4.477 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.799 -3.761 -4.022 1.00 0.00 H new ATOM 66 N CYS A 511 -12.586 -2.916 -0.813 1.00 0.00 N ATOM 67 CA CYS A 511 -12.505 -3.286 0.596 1.00 0.00 C ATOM 68 C CYS A 511 -11.890 -4.672 0.777 1.00 0.00 C ATOM 69 O CYS A 511 -12.556 -5.606 1.222 1.00 0.00 O ATOM 70 CB CYS A 511 -13.894 -3.228 1.232 1.00 0.00 C ATOM 71 SG CYS A 511 -14.380 -1.572 1.823 1.00 0.00 S ATOM 0 H CYS A 511 -12.274 -1.966 -1.013 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.853 -2.570 1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -14.629 -3.571 0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -13.926 -3.924 2.070 1.00 0.00 H new ATOM 76 N ASN A 512 -10.612 -4.789 0.433 1.00 0.00 N ATOM 77 CA ASN A 512 -9.894 -6.050 0.562 1.00 0.00 C ATOM 78 C ASN A 512 -8.805 -5.937 1.624 1.00 0.00 C ATOM 79 O ASN A 512 -7.637 -5.719 1.306 1.00 0.00 O ATOM 80 CB ASN A 512 -9.276 -6.452 -0.779 1.00 0.00 C ATOM 81 CG ASN A 512 -9.167 -7.956 -0.938 1.00 0.00 C ATOM 82 OD1 ASN A 512 -9.857 -8.716 -0.258 1.00 0.00 O ATOM 83 ND2 ASN A 512 -8.297 -8.394 -1.841 1.00 0.00 N ATOM 0 H ASN A 512 -10.051 -4.022 0.061 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.604 -6.819 0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.880 -6.047 -1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.285 -6.007 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -8.180 -9.396 -1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -7.746 -7.728 -2.383 1.00 0.00 H new ATOM 90 N PRO A 513 -9.178 -6.081 2.908 1.00 0.00 N ATOM 91 CA PRO A 513 -8.235 -5.987 4.030 1.00 0.00 C ATOM 92 C PRO A 513 -7.361 -7.231 4.191 1.00 0.00 C ATOM 93 O PRO A 513 -6.785 -7.458 5.255 1.00 0.00 O ATOM 94 CB PRO A 513 -9.153 -5.821 5.240 1.00 0.00 C ATOM 95 CG PRO A 513 -10.416 -6.512 4.854 1.00 0.00 C ATOM 96 CD PRO A 513 -10.557 -6.336 3.365 1.00 0.00 C ATOM 0 HA PRO A 513 -7.524 -5.173 3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.715 -6.266 6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.329 -4.769 5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.377 -7.569 5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.270 -6.083 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -10.976 -7.226 2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.219 -5.505 3.121 1.00 0.00 H new ATOM 104 N ASN A 514 -7.263 -8.036 3.136 1.00 0.00 N ATOM 105 CA ASN A 514 -6.456 -9.250 3.172 1.00 0.00 C ATOM 106 C ASN A 514 -5.071 -9.006 2.572 1.00 0.00 C ATOM 107 O ASN A 514 -4.098 -9.658 2.951 1.00 0.00 O ATOM 108 CB ASN A 514 -7.176 -10.374 2.418 1.00 0.00 C ATOM 109 CG ASN A 514 -6.319 -11.615 2.250 1.00 0.00 C ATOM 110 OD1 ASN A 514 -5.863 -11.924 1.149 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.096 -12.334 3.345 1.00 0.00 N ATOM 0 H ASN A 514 -7.733 -7.869 2.246 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.322 -9.546 4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.088 -10.638 2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.477 -10.011 1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -5.527 -13.179 3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -6.494 -12.041 4.237 1.00 0.00 H new ATOM 118 N LEU A 515 -4.988 -8.066 1.634 1.00 0.00 N ATOM 119 CA LEU A 515 -3.721 -7.743 0.985 1.00 0.00 C ATOM 120 C LEU A 515 -2.918 -6.749 1.820 1.00 0.00 C ATOM 121 O LEU A 515 -2.827 -5.569 1.483 1.00 0.00 O ATOM 122 CB LEU A 515 -3.971 -7.169 -0.412 1.00 0.00 C ATOM 123 CG LEU A 515 -4.646 -8.126 -1.395 1.00 0.00 C ATOM 124 CD1 LEU A 515 -4.756 -7.487 -2.770 1.00 0.00 C ATOM 125 CD2 LEU A 515 -3.878 -9.437 -1.475 1.00 0.00 C ATOM 0 H LEU A 515 -5.782 -7.515 1.307 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.143 -8.663 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -4.589 -6.276 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.017 -6.853 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.652 -8.339 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.239 -8.182 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -5.349 -6.575 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.760 -7.245 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -4.373 -10.106 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -2.860 -9.242 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -3.850 -9.903 -0.490 1.00 0.00 H new ATOM 137 N HIS A 516 -2.336 -7.237 2.911 1.00 0.00 N ATOM 138 CA HIS A 516 -1.541 -6.396 3.800 1.00 0.00 C ATOM 139 C HIS A 516 -0.226 -5.976 3.146 1.00 0.00 C ATOM 140 O HIS A 516 0.367 -4.965 3.523 1.00 0.00 O ATOM 141 CB HIS A 516 -1.255 -7.136 5.109 1.00 0.00 C ATOM 142 CG HIS A 516 -2.479 -7.391 5.932 1.00 0.00 C ATOM 143 ND1 HIS A 516 -2.813 -6.639 7.039 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.455 -8.321 5.805 1.00 0.00 C ATOM 145 CE1 HIS A 516 -3.939 -7.096 7.558 1.00 0.00 C ATOM 146 NE2 HIS A 516 -4.349 -8.117 6.827 1.00 0.00 N ATOM 0 H HIS A 516 -2.400 -8.213 3.201 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.118 -5.495 4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -0.775 -8.088 4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.546 -6.555 5.698 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.518 -9.082 5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -4.439 -6.702 8.431 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -5.193 -8.665 6.995 1.00 0.00 H new ATOM 155 N TYR A 517 0.231 -6.758 2.174 1.00 0.00 N ATOM 156 CA TYR A 517 1.482 -6.465 1.482 1.00 0.00 C ATOM 157 C TYR A 517 1.333 -5.284 0.525 1.00 0.00 C ATOM 158 O TYR A 517 1.970 -4.245 0.704 1.00 0.00 O ATOM 159 CB TYR A 517 1.964 -7.698 0.716 1.00 0.00 C ATOM 160 CG TYR A 517 2.575 -8.758 1.603 1.00 0.00 C ATOM 161 CD1 TYR A 517 3.813 -8.561 2.201 1.00 0.00 C ATOM 162 CD2 TYR A 517 1.912 -9.955 1.844 1.00 0.00 C ATOM 163 CE1 TYR A 517 4.374 -9.527 3.015 1.00 0.00 C ATOM 164 CE2 TYR A 517 2.467 -10.925 2.657 1.00 0.00 C ATOM 165 CZ TYR A 517 3.697 -10.707 3.240 1.00 0.00 C ATOM 166 OH TYR A 517 4.253 -11.671 4.050 1.00 0.00 O ATOM 0 H TYR A 517 -0.245 -7.599 1.847 1.00 0.00 H new ATOM 0 HA TYR A 517 2.221 -6.195 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 517 1.123 -8.130 0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.699 -7.390 -0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 517 4.346 -7.638 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 517 0.948 -10.130 1.389 1.00 0.00 H new ATOM 0 HE1 TYR A 517 5.338 -9.358 3.472 1.00 0.00 H new ATOM 0 HE2 TYR A 517 1.939 -11.850 2.835 1.00 0.00 H new ATOM 0 HH TYR A 517 3.648 -12.440 4.106 1.00 0.00 H new ATOM 176 N TRP A 518 0.500 -5.452 -0.496 1.00 0.00 N ATOM 177 CA TRP A 518 0.280 -4.402 -1.488 1.00 0.00 C ATOM 178 C TRP A 518 -0.488 -3.220 -0.903 1.00 0.00 C ATOM 179 O TRP A 518 -0.489 -2.134 -1.477 1.00 0.00 O ATOM 180 CB TRP A 518 -0.475 -4.965 -2.694 1.00 0.00 C ATOM 181 CG TRP A 518 0.364 -5.859 -3.554 1.00 0.00 C ATOM 182 CD1 TRP A 518 1.185 -5.480 -4.576 1.00 0.00 C ATOM 183 CD2 TRP A 518 0.463 -7.286 -3.467 1.00 0.00 C ATOM 184 NE1 TRP A 518 1.789 -6.582 -5.130 1.00 0.00 N ATOM 185 CE2 TRP A 518 1.363 -7.702 -4.467 1.00 0.00 C ATOM 186 CE3 TRP A 518 -0.121 -8.250 -2.641 1.00 0.00 C ATOM 187 CZ2 TRP A 518 1.691 -9.042 -4.661 1.00 0.00 C ATOM 188 CZ3 TRP A 518 0.206 -9.578 -2.835 1.00 0.00 C ATOM 189 CH2 TRP A 518 1.104 -9.964 -3.838 1.00 0.00 C ATOM 0 H TRP A 518 -0.035 -6.305 -0.660 1.00 0.00 H new ATOM 0 HA TRP A 518 1.258 -4.041 -1.805 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.344 -5.522 -2.342 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -0.849 -4.138 -3.298 1.00 0.00 H new ATOM 0 HD1 TRP A 518 1.338 -4.462 -4.902 1.00 0.00 H new ATOM 0 HE1 TRP A 518 2.448 -6.568 -5.909 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -0.815 -7.962 -1.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 2.384 -9.342 -5.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -0.239 -10.332 -2.202 1.00 0.00 H new ATOM 0 HH2 TRP A 518 1.338 -11.011 -3.964 1.00 0.00 H new ATOM 200 N THR A 519 -1.145 -3.435 0.233 1.00 0.00 N ATOM 201 CA THR A 519 -1.920 -2.379 0.882 1.00 0.00 C ATOM 202 C THR A 519 -2.994 -1.839 -0.069 1.00 0.00 C ATOM 203 O THR A 519 -4.158 -2.225 0.020 1.00 0.00 O ATOM 204 CB THR A 519 -0.992 -1.253 1.376 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.717 -0.322 0.345 1.00 0.00 O ATOM 206 CG2 THR A 519 0.337 -1.766 1.889 1.00 0.00 C ATOM 0 H THR A 519 -1.157 -4.329 0.724 1.00 0.00 H new ATOM 0 HA THR A 519 -2.425 -2.801 1.751 1.00 0.00 H new ATOM 0 HB THR A 519 -1.533 -0.778 2.194 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.222 -0.767 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.947 -0.926 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 519 0.167 -2.445 2.724 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.855 -2.296 1.090 1.00 0.00 H new ATOM 214 N THR A 520 -2.601 -0.963 -0.991 1.00 0.00 N ATOM 215 CA THR A 520 -3.532 -0.395 -1.961 1.00 0.00 C ATOM 216 C THR A 520 -2.795 0.608 -2.834 1.00 0.00 C ATOM 217 O THR A 520 -2.652 0.413 -4.041 1.00 0.00 O ATOM 218 CB THR A 520 -4.713 0.277 -1.252 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.725 -0.670 -0.955 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.350 1.382 -2.064 1.00 0.00 C ATOM 0 H THR A 520 -1.641 -0.631 -1.086 1.00 0.00 H new ATOM 0 HA THR A 520 -3.929 -1.195 -2.585 1.00 0.00 H new ATOM 0 HB THR A 520 -4.294 0.709 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.312 -1.513 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 520 -6.179 1.814 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.610 2.155 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.722 0.975 -3.004 1.00 0.00 H new ATOM 228 N GLN A 521 -2.292 1.663 -2.204 1.00 0.00 N ATOM 229 CA GLN A 521 -1.527 2.670 -2.917 1.00 0.00 C ATOM 230 C GLN A 521 -0.176 2.094 -3.298 1.00 0.00 C ATOM 231 O GLN A 521 0.540 2.649 -4.130 1.00 0.00 O ATOM 232 CB GLN A 521 -1.356 3.930 -2.064 1.00 0.00 C ATOM 233 CG GLN A 521 -2.053 5.151 -2.642 1.00 0.00 C ATOM 234 CD GLN A 521 -3.561 5.088 -2.492 1.00 0.00 C ATOM 235 OE1 GLN A 521 -4.029 5.026 -1.251 1.00 0.00 O flip ATOM 236 NE2 GLN A 521 -4.295 5.095 -3.480 1.00 0.00 N flip ATOM 0 H GLN A 521 -2.401 1.840 -1.205 1.00 0.00 H new ATOM 0 HA GLN A 521 -2.066 2.954 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.745 3.738 -1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.293 4.145 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.679 6.047 -2.146 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -1.800 5.243 -3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -3.891 5.144 -4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -5.307 5.052 -3.364 1.00 0.00 H new ATOM 245 N ASP A 522 0.155 0.960 -2.689 1.00 0.00 N ATOM 246 CA ASP A 522 1.403 0.291 -2.972 1.00 0.00 C ATOM 247 C ASP A 522 1.217 -0.775 -4.050 1.00 0.00 C ATOM 248 O ASP A 522 2.188 -1.319 -4.575 1.00 0.00 O ATOM 249 CB ASP A 522 1.997 -0.323 -1.704 1.00 0.00 C ATOM 250 CG ASP A 522 1.947 0.626 -0.523 1.00 0.00 C ATOM 251 OD1 ASP A 522 1.684 1.829 -0.736 1.00 0.00 O ATOM 252 OD2 ASP A 522 2.172 0.168 0.617 1.00 0.00 O ATOM 0 H ASP A 522 -0.430 0.491 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 522 2.104 1.037 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.454 -1.235 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 522 3.032 -0.609 -1.893 1.00 0.00 H new ATOM 257 N GLU A 523 -0.041 -1.072 -4.372 1.00 0.00 N ATOM 258 CA GLU A 523 -0.366 -2.072 -5.384 1.00 0.00 C ATOM 259 C GLU A 523 0.494 -1.901 -6.635 1.00 0.00 C ATOM 260 O GLU A 523 0.750 -2.865 -7.357 1.00 0.00 O ATOM 261 CB GLU A 523 -1.848 -1.974 -5.753 1.00 0.00 C ATOM 262 CG GLU A 523 -2.204 -0.720 -6.536 1.00 0.00 C ATOM 263 CD GLU A 523 -2.385 -0.985 -8.018 1.00 0.00 C ATOM 264 OE1 GLU A 523 -3.518 -1.314 -8.428 1.00 0.00 O ATOM 265 OE2 GLU A 523 -1.393 -0.867 -8.768 1.00 0.00 O ATOM 0 H GLU A 523 -0.855 -0.631 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.157 -3.056 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.125 -2.849 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.443 -2.002 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -3.123 -0.294 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.420 0.024 -6.398 1.00 0.00 H new ATOM 272 N GLY A 524 0.936 -0.673 -6.885 1.00 0.00 N ATOM 273 CA GLY A 524 1.759 -0.409 -8.048 1.00 0.00 C ATOM 274 C GLY A 524 1.505 0.964 -8.632 1.00 0.00 C ATOM 275 O GLY A 524 1.422 1.122 -9.850 1.00 0.00 O ATOM 0 H GLY A 524 0.739 0.142 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.810 -0.496 -7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.564 -1.166 -8.808 1.00 0.00 H new ATOM 279 N ALA A 525 1.370 1.962 -7.764 1.00 0.00 N ATOM 280 CA ALA A 525 1.112 3.326 -8.208 1.00 0.00 C ATOM 281 C ALA A 525 2.375 4.181 -8.173 1.00 0.00 C ATOM 282 O ALA A 525 2.812 4.700 -9.200 1.00 0.00 O ATOM 283 CB ALA A 525 0.019 3.959 -7.362 1.00 0.00 C ATOM 0 H ALA A 525 1.435 1.852 -6.752 1.00 0.00 H new ATOM 0 HA ALA A 525 0.777 3.278 -9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -0.163 4.977 -7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.897 3.376 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.332 3.978 -6.318 1.00 0.00 H new ATOM 289 N ALA A 526 2.958 4.323 -6.989 1.00 0.00 N ATOM 290 CA ALA A 526 4.173 5.113 -6.827 1.00 0.00 C ATOM 291 C ALA A 526 5.192 4.338 -6.020 1.00 0.00 C ATOM 292 O ALA A 526 5.894 4.888 -5.173 1.00 0.00 O ATOM 293 CB ALA A 526 3.860 6.446 -6.164 1.00 0.00 C ATOM 0 H ALA A 526 2.610 3.902 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 526 4.593 5.317 -7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.779 7.021 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.156 7.003 -6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.420 6.270 -5.182 1.00 0.00 H new ATOM 299 N ILE A 527 5.238 3.046 -6.286 1.00 0.00 N ATOM 300 CA ILE A 527 6.136 2.144 -5.595 1.00 0.00 C ATOM 301 C ILE A 527 7.436 1.902 -6.363 1.00 0.00 C ATOM 302 O ILE A 527 8.298 1.148 -5.913 1.00 0.00 O ATOM 303 CB ILE A 527 5.423 0.813 -5.317 1.00 0.00 C ATOM 304 CG1 ILE A 527 4.839 0.216 -6.606 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.311 1.058 -4.315 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.882 -0.207 -7.617 1.00 0.00 C ATOM 0 H ILE A 527 4.653 2.593 -6.988 1.00 0.00 H new ATOM 0 HA ILE A 527 6.412 2.619 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 527 6.145 0.101 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.226 -0.648 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.178 0.950 -7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 527 3.795 0.121 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.734 1.451 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.603 1.778 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.389 -0.618 -8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.480 0.657 -7.906 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.529 -0.965 -7.176 1.00 0.00 H new ATOM 318 N GLY A 528 7.561 2.528 -7.527 1.00 0.00 N ATOM 319 CA GLY A 528 8.744 2.354 -8.351 1.00 0.00 C ATOM 320 C GLY A 528 10.060 2.619 -7.632 1.00 0.00 C ATOM 321 O GLY A 528 11.120 2.253 -8.141 1.00 0.00 O ATOM 0 H GLY A 528 6.860 3.157 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.755 1.335 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 528 8.674 3.021 -9.211 1.00 0.00 H new ATOM 325 N LEU A 529 10.018 3.257 -6.463 1.00 0.00 N ATOM 326 CA LEU A 529 11.249 3.549 -5.729 1.00 0.00 C ATOM 327 C LEU A 529 11.502 2.524 -4.624 1.00 0.00 C ATOM 328 O LEU A 529 12.650 2.199 -4.320 1.00 0.00 O ATOM 329 CB LEU A 529 11.243 4.971 -5.132 1.00 0.00 C ATOM 330 CG LEU A 529 9.918 5.746 -5.197 1.00 0.00 C ATOM 331 CD1 LEU A 529 9.449 5.908 -6.638 1.00 0.00 C ATOM 332 CD2 LEU A 529 8.852 5.066 -4.348 1.00 0.00 C ATOM 0 H LEU A 529 9.162 3.577 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 529 12.060 3.487 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 529 11.545 4.902 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.005 5.558 -5.645 1.00 0.00 H new ATOM 0 HG LEU A 529 10.089 6.742 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 529 8.509 6.460 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 529 10.201 6.455 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 529 9.300 4.925 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 529 7.922 5.632 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 529 8.685 4.054 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 529 9.184 5.025 -3.311 1.00 0.00 H new ATOM 344 N ALA A 530 10.429 2.030 -4.020 1.00 0.00 N ATOM 345 CA ALA A 530 10.542 1.055 -2.939 1.00 0.00 C ATOM 346 C ALA A 530 10.209 -0.359 -3.395 1.00 0.00 C ATOM 347 O ALA A 530 10.219 -1.295 -2.596 1.00 0.00 O ATOM 348 CB ALA A 530 9.618 1.439 -1.809 1.00 0.00 C ATOM 0 H ALA A 530 9.471 2.287 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 530 11.580 1.062 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 530 9.705 0.709 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 530 9.891 2.426 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.590 1.460 -2.171 1.00 0.00 H new ATOM 354 N TRP A 531 9.897 -0.511 -4.671 1.00 0.00 N ATOM 355 CA TRP A 531 9.543 -1.811 -5.217 1.00 0.00 C ATOM 356 C TRP A 531 10.630 -2.853 -4.980 1.00 0.00 C ATOM 357 O TRP A 531 10.401 -4.047 -5.170 1.00 0.00 O ATOM 358 CB TRP A 531 9.252 -1.671 -6.703 1.00 0.00 C ATOM 359 CG TRP A 531 8.552 -2.858 -7.288 1.00 0.00 C ATOM 360 CD1 TRP A 531 7.309 -3.319 -6.964 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.056 -3.741 -8.298 1.00 0.00 C ATOM 362 NE1 TRP A 531 7.007 -4.431 -7.711 1.00 0.00 N ATOM 363 CE2 TRP A 531 8.065 -4.711 -8.537 1.00 0.00 C ATOM 364 CE3 TRP A 531 10.250 -3.805 -9.023 1.00 0.00 C ATOM 365 CZ2 TRP A 531 8.230 -5.730 -9.471 1.00 0.00 C ATOM 366 CZ3 TRP A 531 10.413 -4.817 -9.949 1.00 0.00 C ATOM 367 CH2 TRP A 531 9.407 -5.768 -10.166 1.00 0.00 C ATOM 0 H TRP A 531 9.882 0.251 -5.349 1.00 0.00 H new ATOM 0 HA TRP A 531 8.652 -2.163 -4.698 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.641 -0.783 -6.864 1.00 0.00 H new ATOM 0 HB3 TRP A 531 10.190 -1.513 -7.236 1.00 0.00 H new ATOM 0 HD1 TRP A 531 6.657 -2.874 -6.227 1.00 0.00 H new ATOM 0 HE1 TRP A 531 6.138 -4.962 -7.660 1.00 0.00 H new ATOM 0 HE3 TRP A 531 11.031 -3.076 -8.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 7.456 -6.464 -9.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 11.331 -4.876 -10.515 1.00 0.00 H new ATOM 0 HH2 TRP A 531 9.564 -6.547 -10.897 1.00 0.00 H new ATOM 378 N ILE A 532 11.810 -2.410 -4.563 1.00 0.00 N ATOM 379 CA ILE A 532 12.905 -3.327 -4.304 1.00 0.00 C ATOM 380 C ILE A 532 13.579 -3.024 -2.967 1.00 0.00 C ATOM 381 O ILE A 532 14.683 -2.486 -2.921 1.00 0.00 O ATOM 382 CB ILE A 532 13.946 -3.274 -5.438 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.428 -1.836 -5.656 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.341 -3.834 -6.717 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.839 -1.589 -5.168 1.00 0.00 C ATOM 0 H ILE A 532 12.029 -1.427 -4.399 1.00 0.00 H new ATOM 0 HA ILE A 532 12.484 -4.331 -4.258 1.00 0.00 H new ATOM 0 HB ILE A 532 14.806 -3.882 -5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.374 -1.601 -6.719 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.751 -1.153 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.080 -3.795 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.038 -4.868 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.471 -3.241 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.112 -0.551 -5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 532 15.895 -1.792 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.528 -2.247 -5.698 1.00 0.00 H new ATOM 397 N PRO A 533 12.909 -3.372 -1.852 1.00 0.00 N ATOM 398 CA PRO A 533 13.431 -3.142 -0.501 1.00 0.00 C ATOM 399 C PRO A 533 14.893 -3.552 -0.358 1.00 0.00 C ATOM 400 O PRO A 533 15.198 -4.706 -0.055 1.00 0.00 O ATOM 401 CB PRO A 533 12.541 -4.021 0.395 1.00 0.00 C ATOM 402 CG PRO A 533 11.648 -4.789 -0.530 1.00 0.00 C ATOM 403 CD PRO A 533 11.592 -4.014 -1.814 1.00 0.00 C ATOM 0 HA PRO A 533 13.405 -2.084 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 533 13.145 -4.695 1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 533 11.956 -3.410 1.083 1.00 0.00 H new ATOM 0 HG2 PRO A 533 12.038 -5.793 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.652 -4.902 -0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.432 -4.664 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 533 10.784 -3.283 -1.812 1.00 0.00 H new ATOM 411 N TYR A 534 15.793 -2.599 -0.575 1.00 0.00 N ATOM 412 CA TYR A 534 17.224 -2.858 -0.467 1.00 0.00 C ATOM 413 C TYR A 534 17.754 -2.456 0.909 1.00 0.00 C ATOM 414 O TYR A 534 18.767 -2.982 1.371 1.00 0.00 O ATOM 415 CB TYR A 534 17.983 -2.101 -1.558 1.00 0.00 C ATOM 416 CG TYR A 534 17.881 -0.598 -1.435 1.00 0.00 C ATOM 417 CD1 TYR A 534 16.793 0.089 -1.960 1.00 0.00 C ATOM 418 CD2 TYR A 534 18.873 0.135 -0.796 1.00 0.00 C ATOM 419 CE1 TYR A 534 16.695 1.463 -1.850 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.783 1.510 -0.682 1.00 0.00 C ATOM 421 CZ TYR A 534 17.693 2.168 -1.210 1.00 0.00 C ATOM 422 OH TYR A 534 17.600 3.537 -1.098 1.00 0.00 O ATOM 0 H TYR A 534 15.556 -1.639 -0.827 1.00 0.00 H new ATOM 0 HA TYR A 534 17.382 -3.929 -0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 534 19.034 -2.389 -1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 534 17.600 -2.404 -2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.011 -0.460 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 534 19.729 -0.378 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 534 15.842 1.982 -2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 534 19.563 2.065 -0.182 1.00 0.00 H new ATOM 0 HH TYR A 534 18.383 3.880 -0.620 1.00 0.00 H new ATOM 432 N PHE A 535 17.069 -1.516 1.555 1.00 0.00 N ATOM 433 CA PHE A 535 17.481 -1.041 2.873 1.00 0.00 C ATOM 434 C PHE A 535 17.270 -2.110 3.941 1.00 0.00 C ATOM 435 O PHE A 535 18.053 -2.218 4.885 1.00 0.00 O ATOM 436 CB PHE A 535 16.709 0.228 3.244 1.00 0.00 C ATOM 437 CG PHE A 535 17.581 1.324 3.784 1.00 0.00 C ATOM 438 CD1 PHE A 535 18.285 2.155 2.926 1.00 0.00 C ATOM 439 CD2 PHE A 535 17.698 1.525 5.151 1.00 0.00 C ATOM 440 CE1 PHE A 535 19.090 3.164 3.421 1.00 0.00 C ATOM 441 CE2 PHE A 535 18.501 2.532 5.652 1.00 0.00 C ATOM 442 CZ PHE A 535 19.197 3.353 4.785 1.00 0.00 C ATOM 0 H PHE A 535 16.228 -1.069 1.189 1.00 0.00 H new ATOM 0 HA PHE A 535 18.546 -0.814 2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 535 16.183 0.594 2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 535 15.951 -0.022 3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 535 18.204 2.012 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 535 17.155 0.887 5.832 1.00 0.00 H new ATOM 0 HE1 PHE A 535 19.634 3.804 2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 535 18.584 2.677 6.719 1.00 0.00 H new ATOM 0 HZ PHE A 535 19.824 4.142 5.174 1.00 0.00 H new ATOM 452 N GLY A 536 16.212 -2.901 3.789 1.00 0.00 N ATOM 453 CA GLY A 536 15.928 -3.947 4.754 1.00 0.00 C ATOM 454 C GLY A 536 14.442 -4.209 4.918 1.00 0.00 C ATOM 455 O GLY A 536 13.966 -5.299 4.601 1.00 0.00 O ATOM 0 H GLY A 536 15.548 -2.836 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 536 16.422 -4.867 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 536 16.352 -3.669 5.719 1.00 0.00 H new ATOM 459 N PRO A 537 13.676 -3.221 5.414 1.00 0.00 N ATOM 460 CA PRO A 537 12.231 -3.366 5.613 1.00 0.00 C ATOM 461 C PRO A 537 11.506 -3.682 4.316 1.00 0.00 C ATOM 462 O PRO A 537 12.125 -4.059 3.320 1.00 0.00 O ATOM 463 CB PRO A 537 11.794 -1.998 6.152 1.00 0.00 C ATOM 464 CG PRO A 537 12.898 -1.066 5.790 1.00 0.00 C ATOM 465 CD PRO A 537 14.150 -1.890 5.816 1.00 0.00 C ATOM 0 HA PRO A 537 11.995 -4.191 6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 537 10.850 -1.682 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 537 11.643 -2.030 7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 537 12.736 -0.631 4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 537 12.959 -0.238 6.497 1.00 0.00 H new ATOM 0 HD2 PRO A 537 14.902 -1.504 5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 537 14.603 -1.905 6.807 1.00 0.00 H new ATOM 473 N ALA A 538 10.192 -3.522 4.332 1.00 0.00 N ATOM 474 CA ALA A 538 9.383 -3.786 3.152 1.00 0.00 C ATOM 475 C ALA A 538 9.647 -2.746 2.075 1.00 0.00 C ATOM 476 O ALA A 538 9.855 -3.085 0.911 1.00 0.00 O ATOM 477 CB ALA A 538 7.903 -3.810 3.505 1.00 0.00 C ATOM 0 H ALA A 538 9.664 -3.211 5.147 1.00 0.00 H new ATOM 0 HA ALA A 538 9.663 -4.766 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 538 7.318 -4.009 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 538 7.717 -4.593 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 538 7.612 -2.845 3.921 1.00 0.00 H new ATOM 483 N ALA A 539 9.639 -1.475 2.473 1.00 0.00 N ATOM 484 CA ALA A 539 9.881 -0.370 1.540 1.00 0.00 C ATOM 485 C ALA A 539 8.733 -0.210 0.559 1.00 0.00 C ATOM 486 O ALA A 539 8.165 0.872 0.410 1.00 0.00 O ATOM 487 CB ALA A 539 11.161 -0.606 0.768 1.00 0.00 C ATOM 0 H ALA A 539 9.468 -1.182 3.435 1.00 0.00 H new ATOM 0 HA ALA A 539 9.966 0.543 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.328 0.222 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.998 -0.674 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.080 -1.536 0.205 1.00 0.00 H new ATOM 493 N GLU A 540 8.414 -1.308 -0.110 1.00 0.00 N ATOM 494 CA GLU A 540 7.350 -1.365 -1.104 1.00 0.00 C ATOM 495 C GLU A 540 6.145 -0.512 -0.707 1.00 0.00 C ATOM 496 O GLU A 540 5.417 -0.018 -1.567 1.00 0.00 O ATOM 497 CB GLU A 540 6.938 -2.821 -1.292 1.00 0.00 C ATOM 498 CG GLU A 540 7.636 -3.506 -2.456 1.00 0.00 C ATOM 499 CD GLU A 540 7.001 -4.834 -2.816 1.00 0.00 C ATOM 500 OE1 GLU A 540 5.766 -4.875 -2.993 1.00 0.00 O ATOM 501 OE2 GLU A 540 7.741 -5.836 -2.922 1.00 0.00 O ATOM 0 H GLU A 540 8.894 -2.198 0.024 1.00 0.00 H new ATOM 0 HA GLU A 540 7.726 -0.955 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.152 -3.372 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.860 -2.868 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.614 -2.849 -3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 540 8.684 -3.665 -2.203 1.00 0.00 H new ATOM 508 N GLY A 541 5.946 -0.327 0.594 1.00 0.00 N ATOM 509 CA GLY A 541 4.842 0.483 1.065 1.00 0.00 C ATOM 510 C GLY A 541 5.304 1.604 1.979 1.00 0.00 C ATOM 511 O GLY A 541 4.887 2.752 1.831 1.00 0.00 O ATOM 0 H GLY A 541 6.531 -0.724 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.314 0.907 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.131 -0.149 1.598 1.00 0.00 H new ATOM 515 N ILE A 542 6.163 1.260 2.931 1.00 0.00 N ATOM 516 CA ILE A 542 6.684 2.229 3.893 1.00 0.00 C ATOM 517 C ILE A 542 7.709 3.181 3.273 1.00 0.00 C ATOM 518 O ILE A 542 7.903 4.290 3.770 1.00 0.00 O ATOM 519 CB ILE A 542 7.326 1.531 5.111 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.328 0.463 4.663 1.00 0.00 C ATOM 521 CG2 ILE A 542 6.249 0.914 5.992 1.00 0.00 C ATOM 522 CD1 ILE A 542 9.736 0.987 4.480 1.00 0.00 C ATOM 0 H ILE A 542 6.516 0.312 3.059 1.00 0.00 H new ATOM 0 HA ILE A 542 5.822 2.812 4.217 1.00 0.00 H new ATOM 0 HB ILE A 542 7.866 2.280 5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.342 -0.341 5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 542 7.987 0.029 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.715 0.425 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.575 1.695 6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 542 5.685 0.180 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.388 0.174 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 542 9.737 1.770 3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.098 1.395 5.424 1.00 0.00 H new ATOM 534 N TYR A 543 8.366 2.757 2.195 1.00 0.00 N ATOM 535 CA TYR A 543 9.363 3.603 1.541 1.00 0.00 C ATOM 536 C TYR A 543 8.906 4.003 0.142 1.00 0.00 C ATOM 537 O TYR A 543 9.532 4.837 -0.513 1.00 0.00 O ATOM 538 CB TYR A 543 10.713 2.887 1.469 1.00 0.00 C ATOM 539 CG TYR A 543 11.895 3.828 1.430 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.308 4.504 2.571 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.601 4.039 0.251 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.387 5.365 2.540 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.683 4.899 0.212 1.00 0.00 C ATOM 544 CZ TYR A 543 14.072 5.559 1.359 1.00 0.00 C ATOM 545 OH TYR A 543 15.149 6.415 1.324 1.00 0.00 O ATOM 0 H TYR A 543 8.229 1.845 1.760 1.00 0.00 H new ATOM 0 HA TYR A 543 9.477 4.508 2.138 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.812 2.228 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.733 2.255 0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.776 4.354 3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.300 3.523 -0.649 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.693 5.884 3.436 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.221 5.053 -0.712 1.00 0.00 H new ATOM 0 HH TYR A 543 15.520 6.437 0.417 1.00 0.00 H new ATOM 555 N ALA A 544 7.803 3.412 -0.303 1.00 0.00 N ATOM 556 CA ALA A 544 7.245 3.706 -1.610 1.00 0.00 C ATOM 557 C ALA A 544 6.036 4.616 -1.465 1.00 0.00 C ATOM 558 O ALA A 544 5.771 5.464 -2.315 1.00 0.00 O ATOM 559 CB ALA A 544 6.859 2.413 -2.300 1.00 0.00 C ATOM 0 H ALA A 544 7.276 2.721 0.231 1.00 0.00 H new ATOM 0 HA ALA A 544 7.992 4.219 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.440 2.635 -3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.742 1.785 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.117 1.888 -1.699 1.00 0.00 H new ATOM 565 N GLU A 545 5.305 4.422 -0.371 1.00 0.00 N ATOM 566 CA GLU A 545 4.116 5.217 -0.096 1.00 0.00 C ATOM 567 C GLU A 545 4.266 6.007 1.201 1.00 0.00 C ATOM 568 O GLU A 545 3.740 7.113 1.331 1.00 0.00 O ATOM 569 CB GLU A 545 2.900 4.300 0.006 1.00 0.00 C ATOM 570 CG GLU A 545 1.623 5.031 0.385 1.00 0.00 C ATOM 571 CD GLU A 545 1.071 5.860 -0.761 1.00 0.00 C ATOM 572 OE1 GLU A 545 1.779 6.012 -1.778 1.00 0.00 O ATOM 573 OE2 GLU A 545 -0.069 6.355 -0.643 1.00 0.00 O ATOM 0 H GLU A 545 5.517 3.721 0.339 1.00 0.00 H new ATOM 0 HA GLU A 545 3.983 5.924 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.752 3.797 -0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.100 3.525 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 545 0.872 4.306 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 545 1.818 5.680 1.239 1.00 0.00 H new ATOM 580 N GLY A 546 4.990 5.428 2.154 1.00 0.00 N ATOM 581 CA GLY A 546 5.213 6.071 3.439 1.00 0.00 C ATOM 582 C GLY A 546 4.006 6.834 3.960 1.00 0.00 C ATOM 583 O GLY A 546 4.150 7.946 4.467 1.00 0.00 O ATOM 0 H GLY A 546 5.432 4.514 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.496 5.313 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.055 6.758 3.350 1.00 0.00 H new ATOM 587 N LEU A 547 2.814 6.245 3.850 1.00 0.00 N ATOM 588 CA LEU A 547 1.610 6.912 4.335 1.00 0.00 C ATOM 589 C LEU A 547 0.385 5.996 4.270 1.00 0.00 C ATOM 590 O LEU A 547 -0.220 5.690 5.298 1.00 0.00 O ATOM 591 CB LEU A 547 1.405 8.231 3.561 1.00 0.00 C ATOM 592 CG LEU A 547 0.096 8.396 2.770 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.542 9.743 3.073 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.363 8.262 1.277 1.00 0.00 C ATOM 0 H LEU A 547 2.660 5.325 3.437 1.00 0.00 H new ATOM 0 HA LEU A 547 1.740 7.153 5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.473 9.053 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.235 8.344 2.864 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.595 7.610 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.467 9.843 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.761 9.810 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.144 10.542 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.571 8.381 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.069 9.031 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.783 7.278 1.069 1.00 0.00 H new ATOM 606 N MET A 548 0.026 5.555 3.072 1.00 0.00 N ATOM 607 CA MET A 548 -1.123 4.671 2.901 1.00 0.00 C ATOM 608 C MET A 548 -0.692 3.210 2.851 1.00 0.00 C ATOM 609 O MET A 548 -1.486 2.332 2.511 1.00 0.00 O ATOM 610 CB MET A 548 -1.903 5.032 1.636 1.00 0.00 C ATOM 611 CG MET A 548 -3.175 5.821 1.912 1.00 0.00 C ATOM 612 SD MET A 548 -3.037 7.561 1.459 1.00 0.00 S ATOM 613 CE MET A 548 -4.131 7.628 0.042 1.00 0.00 C ATOM 0 H MET A 548 0.510 5.793 2.206 1.00 0.00 H new ATOM 0 HA MET A 548 -1.774 4.807 3.765 1.00 0.00 H new ATOM 0 HB2 MET A 548 -1.260 5.614 0.976 1.00 0.00 H new ATOM 0 HB3 MET A 548 -2.161 4.116 1.104 1.00 0.00 H new ATOM 0 HG2 MET A 548 -4.001 5.372 1.361 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.420 5.745 2.971 1.00 0.00 H new ATOM 0 HE1 MET A 548 -4.588 8.616 -0.019 1.00 0.00 H new ATOM 0 HE2 MET A 548 -3.561 7.435 -0.867 1.00 0.00 H new ATOM 0 HE3 MET A 548 -4.911 6.874 0.148 1.00 0.00 H new ATOM 623 N HIS A 549 0.563 2.948 3.200 1.00 0.00 N ATOM 624 CA HIS A 549 1.083 1.589 3.204 1.00 0.00 C ATOM 625 C HIS A 549 0.312 0.713 4.191 1.00 0.00 C ATOM 626 O HIS A 549 0.472 -0.506 4.206 1.00 0.00 O ATOM 627 CB HIS A 549 2.569 1.594 3.562 1.00 0.00 C ATOM 628 CG HIS A 549 2.849 2.032 4.967 1.00 0.00 C ATOM 629 ND1 HIS A 549 3.238 1.162 5.964 1.00 0.00 N ATOM 630 CD2 HIS A 549 2.795 3.258 5.541 1.00 0.00 C ATOM 631 CE1 HIS A 549 3.409 1.833 7.090 1.00 0.00 C ATOM 632 NE2 HIS A 549 3.148 3.106 6.859 1.00 0.00 N ATOM 0 H HIS A 549 1.237 3.659 3.483 1.00 0.00 H new ATOM 0 HA HIS A 549 0.957 1.174 2.204 1.00 0.00 H new ATOM 0 HB2 HIS A 549 2.972 0.592 3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 549 3.097 2.253 2.873 1.00 0.00 H new ATOM 0 HD2 HIS A 549 2.525 4.183 5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 549 3.711 1.411 8.037 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.200 3.856 7.548 1.00 0.00 H new ATOM 641 N ASN A 550 -0.508 1.338 5.029 1.00 0.00 N ATOM 642 CA ASN A 550 -1.277 0.601 6.021 1.00 0.00 C ATOM 643 C ASN A 550 -2.690 0.292 5.541 1.00 0.00 C ATOM 644 O ASN A 550 -3.245 -0.755 5.870 1.00 0.00 O ATOM 645 CB ASN A 550 -1.331 1.388 7.330 1.00 0.00 C ATOM 646 CG ASN A 550 -0.117 1.138 8.205 1.00 0.00 C ATOM 647 OD1 ASN A 550 0.660 2.051 8.483 1.00 0.00 O ATOM 648 ND2 ASN A 550 0.051 -0.104 8.643 1.00 0.00 N ATOM 0 H ASN A 550 -0.656 2.347 5.040 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.772 -0.351 6.184 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -1.403 2.453 7.108 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.233 1.115 7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.850 -0.332 9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -0.619 -0.830 8.387 1.00 0.00 H new ATOM 655 N GLN A 551 -3.267 1.200 4.768 1.00 0.00 N ATOM 656 CA GLN A 551 -4.617 1.008 4.249 1.00 0.00 C ATOM 657 C GLN A 551 -4.651 -0.173 3.286 1.00 0.00 C ATOM 658 O GLN A 551 -4.753 -0.001 2.071 1.00 0.00 O ATOM 659 CB GLN A 551 -5.114 2.274 3.551 1.00 0.00 C ATOM 660 CG GLN A 551 -4.226 2.724 2.407 1.00 0.00 C ATOM 661 CD GLN A 551 -5.017 3.193 1.202 1.00 0.00 C ATOM 662 OE1 GLN A 551 -4.664 2.897 0.063 1.00 0.00 O ATOM 663 NE2 GLN A 551 -6.093 3.931 1.452 1.00 0.00 N ATOM 0 H GLN A 551 -2.825 2.075 4.486 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.279 0.796 5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -6.121 2.098 3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.185 3.078 4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.581 3.533 2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.576 1.901 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -6.348 4.152 2.415 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -6.665 4.277 0.681 1.00 0.00 H new ATOM 672 N ASP A 552 -4.552 -1.371 3.845 1.00 0.00 N ATOM 673 CA ASP A 552 -4.557 -2.597 3.056 1.00 0.00 C ATOM 674 C ASP A 552 -5.969 -3.145 2.873 1.00 0.00 C ATOM 675 O ASP A 552 -6.148 -4.334 2.620 1.00 0.00 O ATOM 676 CB ASP A 552 -3.675 -3.654 3.721 1.00 0.00 C ATOM 677 CG ASP A 552 -4.003 -3.845 5.188 1.00 0.00 C ATOM 678 OD1 ASP A 552 -5.097 -4.368 5.488 1.00 0.00 O ATOM 679 OD2 ASP A 552 -3.168 -3.471 6.037 1.00 0.00 O ATOM 0 H ASP A 552 -4.467 -1.521 4.850 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.160 -2.356 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -3.795 -4.603 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -2.629 -3.365 3.621 1.00 0.00 H new ATOM 684 N GLY A 553 -6.964 -2.277 3.012 1.00 0.00 N ATOM 685 CA GLY A 553 -8.345 -2.699 2.871 1.00 0.00 C ATOM 686 C GLY A 553 -9.164 -2.355 4.096 1.00 0.00 C ATOM 687 O GLY A 553 -10.372 -2.140 4.008 1.00 0.00 O ATOM 0 H GLY A 553 -6.839 -1.286 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -8.783 -2.222 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.381 -3.775 2.700 1.00 0.00 H new ATOM 691 N LEU A 554 -8.496 -2.284 5.242 1.00 0.00 N ATOM 692 CA LEU A 554 -9.154 -1.939 6.494 1.00 0.00 C ATOM 693 C LEU A 554 -9.745 -0.542 6.401 1.00 0.00 C ATOM 694 O LEU A 554 -10.944 -0.337 6.591 1.00 0.00 O ATOM 695 CB LEU A 554 -8.147 -1.983 7.640 1.00 0.00 C ATOM 696 CG LEU A 554 -7.195 -3.183 7.623 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.746 -2.719 7.609 1.00 0.00 C ATOM 698 CD2 LEU A 554 -7.453 -4.089 8.817 1.00 0.00 C ATOM 0 H LEU A 554 -7.495 -2.462 5.328 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.951 -2.659 6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.554 -1.068 7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.693 -1.986 8.583 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.381 -3.753 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.086 -3.587 7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.566 -2.114 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.546 -2.123 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -6.767 -4.935 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -7.298 -3.529 9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.480 -4.453 8.782 1.00 0.00 H new ATOM 710 N ILE A 555 -8.875 0.411 6.103 1.00 0.00 N ATOM 711 CA ILE A 555 -9.256 1.801 5.972 1.00 0.00 C ATOM 712 C ILE A 555 -9.954 2.050 4.637 1.00 0.00 C ATOM 713 O ILE A 555 -9.406 2.692 3.741 1.00 0.00 O ATOM 714 CB ILE A 555 -8.008 2.690 6.076 1.00 0.00 C ATOM 715 CG1 ILE A 555 -7.302 2.490 7.425 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.358 4.154 5.861 1.00 0.00 C ATOM 717 CD1 ILE A 555 -8.237 2.184 8.578 1.00 0.00 C ATOM 0 H ILE A 555 -7.882 0.237 5.945 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.950 2.046 6.776 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.320 2.390 5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.584 1.676 7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.734 3.390 7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.455 4.759 5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.795 4.282 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.075 4.472 6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -7.658 2.057 9.493 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.940 3.007 8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.787 1.267 8.367 1.00 0.00 H new ATOM 729 N CYS A 556 -11.165 1.530 4.519 1.00 0.00 N ATOM 730 CA CYS A 556 -11.959 1.677 3.302 1.00 0.00 C ATOM 731 C CYS A 556 -12.406 3.125 3.088 1.00 0.00 C ATOM 732 O CYS A 556 -12.968 3.456 2.045 1.00 0.00 O ATOM 733 CB CYS A 556 -13.184 0.761 3.356 1.00 0.00 C ATOM 734 SG CYS A 556 -12.825 -0.989 2.991 1.00 0.00 S ATOM 0 H CYS A 556 -11.626 0.997 5.256 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.326 1.392 2.462 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.631 0.829 4.348 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.927 1.124 2.645 1.00 0.00 H new ATOM 739 N GLY A 557 -12.162 3.983 4.078 1.00 0.00 N ATOM 740 CA GLY A 557 -12.554 5.380 3.972 1.00 0.00 C ATOM 741 C GLY A 557 -11.806 6.143 2.889 1.00 0.00 C ATOM 742 O GLY A 557 -12.068 7.325 2.668 1.00 0.00 O ATOM 0 H GLY A 557 -11.699 3.735 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -13.624 5.434 3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.386 5.869 4.931 1.00 0.00 H new ATOM 746 N LEU A 558 -10.871 5.479 2.217 1.00 0.00 N ATOM 747 CA LEU A 558 -10.088 6.114 1.162 1.00 0.00 C ATOM 748 C LEU A 558 -10.972 6.598 0.009 1.00 0.00 C ATOM 749 O LEU A 558 -10.530 7.389 -0.825 1.00 0.00 O ATOM 750 CB LEU A 558 -9.041 5.137 0.631 1.00 0.00 C ATOM 751 CG LEU A 558 -9.602 3.809 0.117 1.00 0.00 C ATOM 752 CD1 LEU A 558 -10.243 3.993 -1.252 1.00 0.00 C ATOM 753 CD2 LEU A 558 -8.508 2.754 0.061 1.00 0.00 C ATOM 0 H LEU A 558 -10.637 4.500 2.384 1.00 0.00 H new ATOM 0 HA LEU A 558 -9.596 6.985 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -8.491 5.620 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -8.324 4.929 1.425 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.371 3.468 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -10.636 3.038 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -11.056 4.715 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.496 4.358 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -8.925 1.816 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -7.716 3.087 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.098 2.602 1.059 1.00 0.00 H new ATOM 765 N ARG A 559 -12.214 6.115 -0.046 1.00 0.00 N ATOM 766 CA ARG A 559 -13.139 6.502 -1.112 1.00 0.00 C ATOM 767 C ARG A 559 -13.232 8.021 -1.249 1.00 0.00 C ATOM 768 O ARG A 559 -12.544 8.763 -0.548 1.00 0.00 O ATOM 769 CB ARG A 559 -14.533 5.919 -0.857 1.00 0.00 C ATOM 770 CG ARG A 559 -15.273 6.563 0.306 1.00 0.00 C ATOM 771 CD ARG A 559 -14.786 6.028 1.640 1.00 0.00 C ATOM 772 NE ARG A 559 -15.878 5.880 2.601 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.734 4.862 2.598 1.00 0.00 C ATOM 774 NH1 ARG A 559 -16.632 3.900 1.688 1.00 0.00 N ATOM 775 NH2 ARG A 559 -17.697 4.805 3.507 1.00 0.00 N ATOM 0 H ARG A 559 -12.601 5.458 0.632 1.00 0.00 H new ATOM 0 HA ARG A 559 -12.747 6.097 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -15.132 6.030 -1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -14.439 4.850 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -15.134 7.644 0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -16.342 6.376 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -14.302 5.063 1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -14.033 6.702 2.048 1.00 0.00 H new ATOM 0 HE ARG A 559 -15.990 6.599 3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -15.894 3.939 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -17.292 3.122 1.692 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -17.781 5.541 4.208 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -18.354 4.025 3.506 1.00 0.00 H new ATOM 789 N GLN A 560 -14.094 8.472 -2.155 1.00 0.00 N ATOM 790 CA GLN A 560 -14.286 9.898 -2.387 1.00 0.00 C ATOM 791 C GLN A 560 -12.989 10.554 -2.850 1.00 0.00 C ATOM 792 O GLN A 560 -12.993 11.785 -3.063 1.00 0.00 O ATOM 793 CB GLN A 560 -14.791 10.580 -1.114 1.00 0.00 C ATOM 794 CG GLN A 560 -16.202 10.170 -0.726 1.00 0.00 C ATOM 795 CD GLN A 560 -16.516 10.464 0.728 1.00 0.00 C ATOM 796 OE1 GLN A 560 -17.489 11.150 1.038 1.00 0.00 O ATOM 797 NE2 GLN A 560 -15.689 9.943 1.627 1.00 0.00 N ATOM 798 OXT GLN A 560 -11.981 9.832 -2.998 1.00 0.00 O ATOM 0 H GLN A 560 -14.671 7.869 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.032 10.015 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -14.114 10.345 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.760 11.661 -1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -16.916 10.694 -1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -16.331 9.104 -0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -14.894 9.380 1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -15.848 10.106 2.621 1.00 0.00 H new TER 807 GLN A 560