USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 396 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 : amide:sc= -7.11! C(o=-9.1!,f=-16!) USER MOD Set 1.2: A 550 ASN : amide:sc= -1.95 K(o=-9.1,f=-8.6) USER MOD Single : A 508 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.03) USER MOD Single : A 510 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0122) USER MOD Single : A 512 ASN : amide:sc= -3.64! C(o=-3.6!,f=-1.4!) USER MOD Single : A 514 ASN : amide:sc= -4.98! C(o=-5!,f=-10!) USER MOD Single : A 516 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.04) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 520 THR OG1 : rot -43:sc= -2.1 USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= -0.275 USER MOD Single : A 548 MET CE :methyl -152:sc= -3.88! (180deg=-4.41!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 551 GLN : amide:sc= -1.98 K(o=-2,f=-5.4!) USER MOD Single : A 560 GLN : amide:sc= -2.64 K(o=-2.6,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -9.573 -8.610 -1.488 1.00 0.00 N ATOM 2 CA ALA A 507 -10.560 -9.246 -0.577 1.00 0.00 C ATOM 3 C ALA A 507 -10.012 -9.343 0.843 1.00 0.00 C ATOM 4 O ALA A 507 -9.119 -10.144 1.120 1.00 0.00 O ATOM 5 CB ALA A 507 -10.939 -10.627 -1.092 1.00 0.00 C ATOM 0 HA ALA A 507 -11.452 -8.620 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -11.663 -11.082 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -11.378 -10.537 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -10.048 -11.253 -1.144 1.00 0.00 H new ATOM 13 N GLN A 508 -10.551 -8.521 1.736 1.00 0.00 N ATOM 14 CA GLN A 508 -10.115 -8.512 3.129 1.00 0.00 C ATOM 15 C GLN A 508 -10.929 -7.511 3.948 1.00 0.00 C ATOM 16 O GLN A 508 -11.069 -6.351 3.560 1.00 0.00 O ATOM 17 CB GLN A 508 -8.623 -8.177 3.223 1.00 0.00 C ATOM 18 CG GLN A 508 -8.163 -7.114 2.234 1.00 0.00 C ATOM 19 CD GLN A 508 -6.701 -7.263 1.861 1.00 0.00 C ATOM 20 OE1 GLN A 508 -5.820 -7.207 2.719 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.436 -7.452 0.573 1.00 0.00 N ATOM 0 H GLN A 508 -11.290 -7.852 1.521 1.00 0.00 H new ATOM 0 HA GLN A 508 -10.279 -9.509 3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.400 -7.838 4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.046 -9.087 3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -8.773 -7.173 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -8.326 -6.126 2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -7.198 -7.492 -0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.471 -7.557 0.261 1.00 0.00 H new ATOM 30 N PRO A 509 -11.492 -7.950 5.090 1.00 0.00 N ATOM 31 CA PRO A 509 -12.305 -7.101 5.963 1.00 0.00 C ATOM 32 C PRO A 509 -11.483 -6.392 7.032 1.00 0.00 C ATOM 33 O PRO A 509 -11.285 -6.911 8.130 1.00 0.00 O ATOM 34 CB PRO A 509 -13.215 -8.125 6.611 1.00 0.00 C ATOM 35 CG PRO A 509 -12.292 -9.263 6.846 1.00 0.00 C ATOM 36 CD PRO A 509 -11.398 -9.320 5.631 1.00 0.00 C ATOM 0 HA PRO A 509 -12.807 -6.299 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.648 -7.754 7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -14.045 -8.402 5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -11.709 -9.113 7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.843 -10.195 6.971 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -10.373 -9.581 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -11.741 -10.063 4.911 1.00 0.00 H new ATOM 44 N LYS A 510 -11.008 -5.209 6.698 1.00 0.00 N ATOM 45 CA LYS A 510 -10.199 -4.417 7.624 1.00 0.00 C ATOM 46 C LYS A 510 -10.487 -2.925 7.501 1.00 0.00 C ATOM 47 O LYS A 510 -10.535 -2.207 8.500 1.00 0.00 O ATOM 48 CB LYS A 510 -8.717 -4.701 7.396 1.00 0.00 C ATOM 49 CG LYS A 510 -8.148 -5.718 8.365 1.00 0.00 C ATOM 50 CD LYS A 510 -6.863 -6.334 7.836 1.00 0.00 C ATOM 51 CE LYS A 510 -7.081 -7.765 7.371 1.00 0.00 C ATOM 52 NZ LYS A 510 -7.261 -8.702 8.515 1.00 0.00 N ATOM 0 H LYS A 510 -11.165 -4.768 5.792 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.468 -4.712 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.575 -5.061 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.157 -3.770 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.955 -5.239 9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.883 -6.503 8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.485 -5.735 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.102 -6.316 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -7.959 -7.807 6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -6.229 -8.085 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.271 -9.681 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -6.477 -8.583 9.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -8.161 -8.497 8.993 1.00 0.00 H new ATOM 66 N CYS A 511 -10.679 -2.472 6.275 1.00 0.00 N ATOM 67 CA CYS A 511 -10.972 -1.069 5.994 1.00 0.00 C ATOM 68 C CYS A 511 -9.742 -0.197 6.149 1.00 0.00 C ATOM 69 O CYS A 511 -9.793 0.883 6.738 1.00 0.00 O ATOM 70 CB CYS A 511 -12.120 -0.553 6.864 1.00 0.00 C ATOM 71 SG CYS A 511 -13.725 -0.477 5.999 1.00 0.00 S ATOM 0 H CYS A 511 -10.637 -3.062 5.444 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.288 -1.011 4.952 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.219 -1.197 7.738 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.867 0.442 7.229 1.00 0.00 H new ATOM 76 N ASN A 512 -8.642 -0.660 5.579 1.00 0.00 N ATOM 77 CA ASN A 512 -7.400 0.094 5.614 1.00 0.00 C ATOM 78 C ASN A 512 -6.780 0.217 4.216 1.00 0.00 C ATOM 79 O ASN A 512 -5.560 0.164 4.065 1.00 0.00 O ATOM 80 CB ASN A 512 -6.402 -0.549 6.581 1.00 0.00 C ATOM 81 CG ASN A 512 -5.081 0.207 6.672 1.00 0.00 C ATOM 82 OD1 ASN A 512 -4.078 -0.340 7.129 1.00 0.00 O ATOM 83 ND2 ASN A 512 -5.068 1.469 6.238 1.00 0.00 N ATOM 0 H ASN A 512 -8.584 -1.552 5.088 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.635 1.097 5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.851 -0.604 7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.206 -1.573 6.263 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.206 2.014 6.279 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -5.920 1.889 5.865 1.00 0.00 H new ATOM 90 N PRO A 513 -7.609 0.379 3.161 1.00 0.00 N ATOM 91 CA PRO A 513 -7.120 0.503 1.789 1.00 0.00 C ATOM 92 C PRO A 513 -6.800 1.953 1.407 1.00 0.00 C ATOM 93 O PRO A 513 -5.773 2.492 1.818 1.00 0.00 O ATOM 94 CB PRO A 513 -8.300 -0.037 0.994 1.00 0.00 C ATOM 95 CG PRO A 513 -9.486 0.464 1.748 1.00 0.00 C ATOM 96 CD PRO A 513 -9.088 0.447 3.204 1.00 0.00 C ATOM 0 HA PRO A 513 -6.182 -0.024 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.293 0.329 -0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.286 -1.126 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.755 1.471 1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.356 -0.169 1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.433 1.340 3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.514 -0.410 3.726 1.00 0.00 H new ATOM 104 N ASN A 514 -7.673 2.580 0.613 1.00 0.00 N ATOM 105 CA ASN A 514 -7.464 3.952 0.182 1.00 0.00 C ATOM 106 C ASN A 514 -7.756 4.950 1.304 1.00 0.00 C ATOM 107 O ASN A 514 -7.727 6.161 1.088 1.00 0.00 O ATOM 108 CB ASN A 514 -8.335 4.250 -1.040 1.00 0.00 C ATOM 109 CG ASN A 514 -9.816 4.291 -0.710 1.00 0.00 C ATOM 110 OD1 ASN A 514 -10.235 4.934 0.252 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.619 3.606 -1.514 1.00 0.00 N ATOM 0 H ASN A 514 -8.529 2.153 0.259 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.414 4.065 -0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.036 5.206 -1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.158 3.490 -1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.625 3.599 -1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -10.230 3.086 -2.301 1.00 0.00 H new ATOM 118 N LEU A 515 -8.025 4.443 2.503 1.00 0.00 N ATOM 119 CA LEU A 515 -8.302 5.302 3.645 1.00 0.00 C ATOM 120 C LEU A 515 -7.061 5.410 4.521 1.00 0.00 C ATOM 121 O LEU A 515 -7.142 5.407 5.750 1.00 0.00 O ATOM 122 CB LEU A 515 -9.487 4.754 4.444 1.00 0.00 C ATOM 123 CG LEU A 515 -10.814 4.696 3.676 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.992 5.941 2.816 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.884 3.435 2.819 1.00 0.00 C ATOM 0 H LEU A 515 -8.057 3.444 2.707 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.564 6.299 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.240 3.750 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.625 5.372 5.331 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.628 4.663 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.939 5.880 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -10.991 6.826 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.173 6.009 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.832 3.412 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -10.062 3.435 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.808 2.556 3.459 1.00 0.00 H new ATOM 137 N HIS A 516 -5.911 5.502 3.860 1.00 0.00 N ATOM 138 CA HIS A 516 -4.623 5.609 4.536 1.00 0.00 C ATOM 139 C HIS A 516 -3.488 5.598 3.512 1.00 0.00 C ATOM 140 O HIS A 516 -2.446 6.217 3.720 1.00 0.00 O ATOM 141 CB HIS A 516 -4.438 4.460 5.529 1.00 0.00 C ATOM 142 CG HIS A 516 -3.814 4.883 6.824 1.00 0.00 C ATOM 143 ND1 HIS A 516 -3.933 4.155 7.989 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.062 5.966 7.133 1.00 0.00 C ATOM 145 CE1 HIS A 516 -3.281 4.773 8.958 1.00 0.00 C ATOM 146 NE2 HIS A 516 -2.743 5.872 8.465 1.00 0.00 N ATOM 0 H HIS A 516 -5.846 5.504 2.842 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.601 6.551 5.084 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.408 4.007 5.733 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.817 3.690 5.070 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.768 6.756 6.458 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -3.202 4.435 9.981 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -2.181 6.543 8.989 1.00 0.00 H new ATOM 155 N TYR A 517 -3.709 4.883 2.408 1.00 0.00 N ATOM 156 CA TYR A 517 -2.725 4.768 1.328 1.00 0.00 C ATOM 157 C TYR A 517 -1.955 6.076 1.113 1.00 0.00 C ATOM 158 O TYR A 517 -0.730 6.075 0.991 1.00 0.00 O ATOM 159 CB TYR A 517 -3.432 4.336 0.034 1.00 0.00 C ATOM 160 CG TYR A 517 -4.181 5.449 -0.675 1.00 0.00 C ATOM 161 CD1 TYR A 517 -5.238 6.108 -0.059 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.833 5.834 -1.964 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.926 7.117 -0.705 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.516 6.843 -2.617 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.560 7.481 -1.983 1.00 0.00 C ATOM 166 OH TYR A 517 -6.243 8.486 -2.630 1.00 0.00 O ATOM 0 H TYR A 517 -4.573 4.368 2.236 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.994 4.012 1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.691 3.921 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -4.133 3.535 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.527 5.826 0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -3.015 5.337 -2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.746 7.618 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -4.233 7.130 -3.619 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.860 8.621 -3.522 1.00 0.00 H new ATOM 176 N TRP A 518 -2.685 7.183 1.078 1.00 0.00 N ATOM 177 CA TRP A 518 -2.097 8.508 0.892 1.00 0.00 C ATOM 178 C TRP A 518 -1.185 8.866 2.060 1.00 0.00 C ATOM 179 O TRP A 518 -1.586 9.587 2.974 1.00 0.00 O ATOM 180 CB TRP A 518 -3.214 9.547 0.786 1.00 0.00 C ATOM 181 CG TRP A 518 -4.289 9.335 1.810 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.157 8.687 3.004 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.654 9.754 1.731 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.352 8.675 3.672 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.290 9.328 2.913 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.399 10.449 0.777 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.637 9.576 3.164 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.736 10.696 1.026 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.343 10.260 2.212 1.00 0.00 C ATOM 0 H TRP A 518 -3.700 7.191 1.177 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.504 8.499 -0.022 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.792 10.545 0.907 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.652 9.505 -0.211 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.241 8.247 3.369 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.518 8.250 4.584 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.939 10.788 -0.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.107 9.241 4.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.322 11.233 0.295 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.390 10.468 2.378 1.00 0.00 H new ATOM 200 N THR A 519 0.036 8.356 2.035 1.00 0.00 N ATOM 201 CA THR A 519 0.986 8.622 3.105 1.00 0.00 C ATOM 202 C THR A 519 2.400 8.268 2.672 1.00 0.00 C ATOM 203 O THR A 519 3.301 9.106 2.695 1.00 0.00 O ATOM 204 CB THR A 519 0.596 7.821 4.342 1.00 0.00 C ATOM 205 OG1 THR A 519 1.620 7.860 5.319 1.00 0.00 O ATOM 206 CG2 THR A 519 0.290 6.368 4.046 1.00 0.00 C ATOM 0 H THR A 519 0.392 7.758 1.289 1.00 0.00 H new ATOM 0 HA THR A 519 0.962 9.686 3.341 1.00 0.00 H new ATOM 0 HB THR A 519 -0.312 8.296 4.712 1.00 0.00 H new ATOM 0 HG1 THR A 519 1.344 7.340 6.103 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.020 5.857 4.970 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.540 6.307 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.169 5.892 3.612 1.00 0.00 H new ATOM 214 N THR A 520 2.575 7.025 2.258 1.00 0.00 N ATOM 215 CA THR A 520 3.863 6.547 1.790 1.00 0.00 C ATOM 216 C THR A 520 3.713 5.905 0.414 1.00 0.00 C ATOM 217 O THR A 520 4.698 5.506 -0.207 1.00 0.00 O ATOM 218 CB THR A 520 4.475 5.559 2.791 1.00 0.00 C ATOM 219 OG1 THR A 520 5.866 5.419 2.564 1.00 0.00 O ATOM 220 CG2 THR A 520 3.863 4.173 2.744 1.00 0.00 C ATOM 0 H THR A 520 1.834 6.324 2.237 1.00 0.00 H new ATOM 0 HA THR A 520 4.541 7.397 1.705 1.00 0.00 H new ATOM 0 HB THR A 520 4.267 5.988 3.771 1.00 0.00 H new ATOM 0 HG1 THR A 520 6.036 5.359 1.601 1.00 0.00 H new ATOM 0 HG21 THR A 520 4.350 3.535 3.481 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.798 4.238 2.967 1.00 0.00 H new ATOM 0 HG23 THR A 520 4.000 3.748 1.750 1.00 0.00 H new ATOM 228 N GLN A 521 2.469 5.823 -0.065 1.00 0.00 N ATOM 229 CA GLN A 521 2.194 5.250 -1.370 1.00 0.00 C ATOM 230 C GLN A 521 2.051 6.355 -2.425 1.00 0.00 C ATOM 231 O GLN A 521 2.189 6.114 -3.624 1.00 0.00 O ATOM 232 CB GLN A 521 0.940 4.366 -1.322 1.00 0.00 C ATOM 233 CG GLN A 521 -0.354 5.109 -1.591 1.00 0.00 C ATOM 234 CD GLN A 521 -0.641 5.258 -3.068 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.843 4.274 -3.780 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.659 6.497 -3.533 1.00 0.00 N ATOM 0 H GLN A 521 1.642 6.148 0.436 1.00 0.00 H new ATOM 0 HA GLN A 521 3.037 4.620 -1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.045 3.565 -2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.878 3.895 -0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.179 4.578 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.304 6.097 -1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.486 7.281 -2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.846 6.668 -4.521 1.00 0.00 H new ATOM 245 N ASP A 522 1.790 7.570 -1.960 1.00 0.00 N ATOM 246 CA ASP A 522 1.650 8.726 -2.844 1.00 0.00 C ATOM 247 C ASP A 522 2.804 9.699 -2.626 1.00 0.00 C ATOM 248 O ASP A 522 2.883 10.753 -3.256 1.00 0.00 O ATOM 249 CB ASP A 522 0.317 9.431 -2.598 1.00 0.00 C ATOM 250 CG ASP A 522 -0.528 9.528 -3.853 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.053 9.597 -4.957 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.771 9.534 -3.734 1.00 0.00 O ATOM 0 H ASP A 522 1.670 7.784 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 522 1.673 8.375 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.239 8.893 -1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.505 10.433 -2.212 1.00 0.00 H new ATOM 257 N GLU A 523 3.689 9.319 -1.721 1.00 0.00 N ATOM 258 CA GLU A 523 4.859 10.113 -1.375 1.00 0.00 C ATOM 259 C GLU A 523 6.091 9.218 -1.353 1.00 0.00 C ATOM 260 O GLU A 523 7.222 9.684 -1.476 1.00 0.00 O ATOM 261 CB GLU A 523 4.656 10.772 -0.012 1.00 0.00 C ATOM 262 CG GLU A 523 3.191 10.985 0.327 1.00 0.00 C ATOM 263 CD GLU A 523 2.971 12.149 1.273 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.692 13.160 1.148 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.077 12.048 2.140 1.00 0.00 O ATOM 0 H GLU A 523 3.617 8.445 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 523 5.001 10.895 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.116 10.153 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.171 11.733 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.631 11.159 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.791 10.076 0.777 1.00 0.00 H new ATOM 272 N GLY A 524 5.844 7.920 -1.214 1.00 0.00 N ATOM 273 CA GLY A 524 6.907 6.948 -1.200 1.00 0.00 C ATOM 274 C GLY A 524 6.747 5.955 -2.330 1.00 0.00 C ATOM 275 O GLY A 524 7.730 5.489 -2.904 1.00 0.00 O ATOM 0 H GLY A 524 4.909 7.525 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.868 7.454 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.911 6.421 -0.246 1.00 0.00 H new ATOM 279 N ALA A 525 5.492 5.645 -2.670 1.00 0.00 N ATOM 280 CA ALA A 525 5.213 4.711 -3.756 1.00 0.00 C ATOM 281 C ALA A 525 4.947 5.459 -5.054 1.00 0.00 C ATOM 282 O ALA A 525 4.407 4.907 -6.013 1.00 0.00 O ATOM 283 CB ALA A 525 4.044 3.807 -3.399 1.00 0.00 C ATOM 0 H ALA A 525 4.663 6.025 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 525 6.092 4.084 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.852 3.118 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.284 3.240 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.156 4.414 -3.219 1.00 0.00 H new ATOM 289 N ALA A 526 5.347 6.717 -5.064 1.00 0.00 N ATOM 290 CA ALA A 526 5.184 7.583 -6.222 1.00 0.00 C ATOM 291 C ALA A 526 6.464 8.373 -6.497 1.00 0.00 C ATOM 292 O ALA A 526 6.544 9.127 -7.467 1.00 0.00 O ATOM 293 CB ALA A 526 4.021 8.535 -5.998 1.00 0.00 C ATOM 0 H ALA A 526 5.796 7.170 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 526 4.975 6.959 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.906 9.180 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.106 7.962 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.216 9.147 -5.117 1.00 0.00 H new ATOM 299 N ILE A 527 7.457 8.205 -5.626 1.00 0.00 N ATOM 300 CA ILE A 527 8.723 8.905 -5.752 1.00 0.00 C ATOM 301 C ILE A 527 9.854 8.098 -5.113 1.00 0.00 C ATOM 302 O ILE A 527 10.945 7.989 -5.672 1.00 0.00 O ATOM 303 CB ILE A 527 8.657 10.296 -5.084 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.523 10.346 -4.042 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.492 11.386 -6.136 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.213 10.913 -4.558 1.00 0.00 C ATOM 0 H ILE A 527 7.403 7.583 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 527 8.922 9.029 -6.817 1.00 0.00 H new ATOM 0 HB ILE A 527 9.596 10.475 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.345 9.337 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.854 10.945 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.447 12.359 -5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.340 11.362 -6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.571 11.217 -6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.474 10.909 -3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.370 11.935 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.853 10.302 -5.386 1.00 0.00 H new ATOM 318 N GLY A 528 9.585 7.540 -3.933 1.00 0.00 N ATOM 319 CA GLY A 528 10.587 6.753 -3.230 1.00 0.00 C ATOM 320 C GLY A 528 10.834 5.404 -3.878 1.00 0.00 C ATOM 321 O GLY A 528 11.402 5.328 -4.967 1.00 0.00 O ATOM 0 H GLY A 528 8.690 7.619 -3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.523 7.311 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.267 6.603 -2.199 1.00 0.00 H new ATOM 325 N LEU A 529 10.417 4.332 -3.207 1.00 0.00 N ATOM 326 CA LEU A 529 10.608 2.983 -3.736 1.00 0.00 C ATOM 327 C LEU A 529 9.264 2.321 -4.067 1.00 0.00 C ATOM 328 O LEU A 529 8.301 3.010 -4.401 1.00 0.00 O ATOM 329 CB LEU A 529 11.399 2.136 -2.735 1.00 0.00 C ATOM 330 CG LEU A 529 12.627 2.818 -2.128 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.412 1.836 -1.273 1.00 0.00 C ATOM 332 CD2 LEU A 529 13.511 3.398 -3.223 1.00 0.00 C ATOM 0 H LEU A 529 9.948 4.370 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 529 11.176 3.054 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 529 10.731 1.841 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.721 1.221 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 529 12.288 3.635 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.282 2.337 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 529 12.777 1.467 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 529 13.740 0.999 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 529 14.379 3.879 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 529 13.842 2.598 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 529 12.946 4.133 -3.796 1.00 0.00 H new ATOM 344 N ALA A 530 9.219 0.980 -3.985 1.00 0.00 N ATOM 345 CA ALA A 530 8.011 0.189 -4.282 1.00 0.00 C ATOM 346 C ALA A 530 8.123 -0.484 -5.644 1.00 0.00 C ATOM 347 O ALA A 530 7.442 -1.471 -5.923 1.00 0.00 O ATOM 348 CB ALA A 530 6.751 1.038 -4.233 1.00 0.00 C ATOM 0 H ALA A 530 10.021 0.412 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 530 7.936 -0.576 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.884 0.416 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.641 1.468 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.823 1.839 -4.969 1.00 0.00 H new ATOM 354 N TRP A 531 8.993 0.059 -6.485 1.00 0.00 N ATOM 355 CA TRP A 531 9.216 -0.476 -7.825 1.00 0.00 C ATOM 356 C TRP A 531 10.405 -1.431 -7.828 1.00 0.00 C ATOM 357 O TRP A 531 10.978 -1.723 -8.878 1.00 0.00 O ATOM 358 CB TRP A 531 9.459 0.663 -8.825 1.00 0.00 C ATOM 359 CG TRP A 531 9.935 1.923 -8.176 1.00 0.00 C ATOM 360 CD1 TRP A 531 11.088 2.088 -7.471 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.261 3.184 -8.156 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.171 3.372 -7.001 1.00 0.00 N ATOM 363 CE2 TRP A 531 10.065 4.071 -7.417 1.00 0.00 C ATOM 364 CE3 TRP A 531 8.059 3.650 -8.693 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.702 5.399 -7.200 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.699 4.967 -8.479 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.519 5.829 -7.739 1.00 0.00 C ATOM 0 H TRP A 531 9.561 0.876 -6.262 1.00 0.00 H new ATOM 0 HA TRP A 531 8.323 -1.024 -8.126 1.00 0.00 H new ATOM 0 HB2 TRP A 531 10.195 0.341 -9.562 1.00 0.00 H new ATOM 0 HB3 TRP A 531 8.535 0.867 -9.366 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.829 1.319 -7.306 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.931 3.748 -6.434 1.00 0.00 H new ATOM 0 HE3 TRP A 531 7.422 2.992 -9.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.331 6.065 -6.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.771 5.338 -8.889 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.212 6.854 -7.591 1.00 0.00 H new ATOM 378 N ILE A 532 10.774 -1.915 -6.645 1.00 0.00 N ATOM 379 CA ILE A 532 11.897 -2.837 -6.513 1.00 0.00 C ATOM 380 C ILE A 532 11.465 -4.132 -5.820 1.00 0.00 C ATOM 381 O ILE A 532 10.733 -4.098 -4.831 1.00 0.00 O ATOM 382 CB ILE A 532 13.073 -2.195 -5.734 1.00 0.00 C ATOM 383 CG1 ILE A 532 12.820 -2.222 -4.224 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.310 -0.764 -6.197 1.00 0.00 C ATOM 385 CD1 ILE A 532 11.595 -1.443 -3.801 1.00 0.00 C ATOM 0 H ILE A 532 10.312 -1.684 -5.765 1.00 0.00 H new ATOM 0 HA ILE A 532 12.239 -3.071 -7.521 1.00 0.00 H new ATOM 0 HB ILE A 532 13.965 -2.785 -5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 532 12.711 -3.257 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.692 -1.818 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.140 -0.333 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.549 -0.761 -7.260 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.411 -0.172 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 532 11.479 -1.507 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 532 11.709 -0.399 -4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 532 10.713 -1.861 -4.286 1.00 0.00 H new ATOM 397 N PRO A 533 11.910 -5.294 -6.331 1.00 0.00 N ATOM 398 CA PRO A 533 11.561 -6.594 -5.757 1.00 0.00 C ATOM 399 C PRO A 533 12.441 -6.964 -4.565 1.00 0.00 C ATOM 400 O PRO A 533 13.038 -8.041 -4.533 1.00 0.00 O ATOM 401 CB PRO A 533 11.808 -7.551 -6.920 1.00 0.00 C ATOM 402 CG PRO A 533 12.929 -6.929 -7.681 1.00 0.00 C ATOM 403 CD PRO A 533 12.785 -5.436 -7.514 1.00 0.00 C ATOM 0 HA PRO A 533 10.543 -6.614 -5.367 1.00 0.00 H new ATOM 0 HB2 PRO A 533 12.073 -8.547 -6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.919 -7.660 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 533 13.892 -7.271 -7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 533 12.885 -7.208 -8.734 1.00 0.00 H new ATOM 0 HD2 PRO A 533 13.751 -4.956 -7.356 1.00 0.00 H new ATOM 0 HD3 PRO A 533 12.341 -4.976 -8.397 1.00 0.00 H new ATOM 411 N TYR A 534 12.522 -6.065 -3.590 1.00 0.00 N ATOM 412 CA TYR A 534 13.333 -6.298 -2.402 1.00 0.00 C ATOM 413 C TYR A 534 12.668 -5.718 -1.153 1.00 0.00 C ATOM 414 O TYR A 534 12.777 -6.282 -0.065 1.00 0.00 O ATOM 415 CB TYR A 534 14.722 -5.687 -2.596 1.00 0.00 C ATOM 416 CG TYR A 534 15.539 -5.599 -1.328 1.00 0.00 C ATOM 417 CD1 TYR A 534 16.101 -6.733 -0.759 1.00 0.00 C ATOM 418 CD2 TYR A 534 15.744 -4.378 -0.703 1.00 0.00 C ATOM 419 CE1 TYR A 534 16.848 -6.652 0.401 1.00 0.00 C ATOM 420 CE2 TYR A 534 16.490 -4.286 0.457 1.00 0.00 C ATOM 421 CZ TYR A 534 17.040 -5.427 1.006 1.00 0.00 C ATOM 422 OH TYR A 534 17.782 -5.341 2.161 1.00 0.00 O ATOM 0 H TYR A 534 12.036 -5.168 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 534 13.429 -7.374 -2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 534 15.270 -6.281 -3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.612 -4.687 -3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 534 15.952 -7.694 -1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 534 15.314 -3.484 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 534 17.279 -7.543 0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 534 16.642 -3.327 0.931 1.00 0.00 H new ATOM 0 HH TYR A 534 17.821 -4.407 2.456 1.00 0.00 H new ATOM 432 N PHE A 535 11.981 -4.589 -1.315 1.00 0.00 N ATOM 433 CA PHE A 535 11.303 -3.940 -0.198 1.00 0.00 C ATOM 434 C PHE A 535 9.913 -4.529 0.032 1.00 0.00 C ATOM 435 O PHE A 535 9.060 -3.897 0.653 1.00 0.00 O ATOM 436 CB PHE A 535 11.187 -2.436 -0.449 1.00 0.00 C ATOM 437 CG PHE A 535 12.461 -1.685 -0.195 1.00 0.00 C ATOM 438 CD1 PHE A 535 13.535 -1.813 -1.057 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.582 -0.849 0.902 1.00 0.00 C ATOM 440 CE1 PHE A 535 14.709 -1.123 -0.832 1.00 0.00 C ATOM 441 CE2 PHE A 535 13.754 -0.157 1.135 1.00 0.00 C ATOM 442 CZ PHE A 535 14.818 -0.295 0.268 1.00 0.00 C ATOM 0 H PHE A 535 11.880 -4.106 -2.208 1.00 0.00 H new ATOM 0 HA PHE A 535 11.901 -4.116 0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 535 10.877 -2.271 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 535 10.402 -2.029 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 535 13.454 -2.461 -1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.751 -0.737 1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 535 15.540 -1.230 -1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 535 13.837 0.491 1.995 1.00 0.00 H new ATOM 0 HZ PHE A 535 15.736 0.244 0.449 1.00 0.00 H new ATOM 452 N GLY A 536 9.686 -5.740 -0.472 1.00 0.00 N ATOM 453 CA GLY A 536 8.393 -6.381 -0.303 1.00 0.00 C ATOM 454 C GLY A 536 7.995 -6.519 1.157 1.00 0.00 C ATOM 455 O GLY A 536 7.667 -5.527 1.808 1.00 0.00 O ATOM 0 H GLY A 536 10.372 -6.287 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 536 7.634 -5.803 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.418 -7.369 -0.764 1.00 0.00 H new ATOM 459 N PRO A 537 8.004 -7.748 1.707 1.00 0.00 N ATOM 460 CA PRO A 537 7.632 -7.992 3.100 1.00 0.00 C ATOM 461 C PRO A 537 8.792 -7.787 4.072 1.00 0.00 C ATOM 462 O PRO A 537 8.623 -7.910 5.285 1.00 0.00 O ATOM 463 CB PRO A 537 7.211 -9.457 3.075 1.00 0.00 C ATOM 464 CG PRO A 537 8.080 -10.076 2.032 1.00 0.00 C ATOM 465 CD PRO A 537 8.368 -8.998 1.013 1.00 0.00 C ATOM 0 HA PRO A 537 6.862 -7.303 3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 537 7.358 -9.929 4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 537 6.155 -9.563 2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 537 9.005 -10.451 2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 537 7.581 -10.926 1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 537 9.417 -8.999 0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.779 -9.138 0.106 1.00 0.00 H new ATOM 473 N ALA A 538 9.972 -7.481 3.538 1.00 0.00 N ATOM 474 CA ALA A 538 11.153 -7.271 4.368 1.00 0.00 C ATOM 475 C ALA A 538 11.304 -5.806 4.770 1.00 0.00 C ATOM 476 O ALA A 538 11.913 -5.494 5.794 1.00 0.00 O ATOM 477 CB ALA A 538 12.399 -7.750 3.640 1.00 0.00 C ATOM 0 H ALA A 538 10.135 -7.373 2.537 1.00 0.00 H new ATOM 0 HA ALA A 538 11.026 -7.853 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 538 13.274 -7.588 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 538 12.304 -8.813 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 538 12.514 -7.193 2.710 1.00 0.00 H new ATOM 483 N ALA A 539 10.753 -4.909 3.957 1.00 0.00 N ATOM 484 CA ALA A 539 10.835 -3.479 4.233 1.00 0.00 C ATOM 485 C ALA A 539 9.555 -2.964 4.887 1.00 0.00 C ATOM 486 O ALA A 539 9.555 -1.923 5.542 1.00 0.00 O ATOM 487 CB ALA A 539 11.104 -2.714 2.949 1.00 0.00 C ATOM 0 H ALA A 539 10.246 -5.147 3.104 1.00 0.00 H new ATOM 0 HA ALA A 539 11.658 -3.319 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.163 -1.648 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.047 -3.049 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 539 10.295 -2.895 2.241 1.00 0.00 H new ATOM 493 N GLU A 540 8.469 -3.702 4.688 1.00 0.00 N ATOM 494 CA GLU A 540 7.160 -3.348 5.231 1.00 0.00 C ATOM 495 C GLU A 540 7.246 -2.747 6.637 1.00 0.00 C ATOM 496 O GLU A 540 7.223 -3.473 7.632 1.00 0.00 O ATOM 497 CB GLU A 540 6.275 -4.591 5.249 1.00 0.00 C ATOM 498 CG GLU A 540 5.231 -4.608 4.145 1.00 0.00 C ATOM 499 CD GLU A 540 4.043 -5.489 4.479 1.00 0.00 C ATOM 500 OE1 GLU A 540 3.124 -5.009 5.177 1.00 0.00 O ATOM 501 OE2 GLU A 540 4.030 -6.659 4.041 1.00 0.00 O ATOM 0 H GLU A 540 8.470 -4.565 4.144 1.00 0.00 H new ATOM 0 HA GLU A 540 6.730 -2.581 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.904 -5.476 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.773 -4.656 6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 540 4.884 -3.591 3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 540 5.690 -4.959 3.221 1.00 0.00 H new ATOM 508 N GLY A 541 7.320 -1.417 6.716 1.00 0.00 N ATOM 509 CA GLY A 541 7.378 -0.755 8.008 1.00 0.00 C ATOM 510 C GLY A 541 8.412 0.355 8.095 1.00 0.00 C ATOM 511 O GLY A 541 8.525 1.012 9.129 1.00 0.00 O ATOM 0 H GLY A 541 7.341 -0.791 5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.396 -0.340 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 541 7.595 -1.499 8.775 1.00 0.00 H new ATOM 515 N ILE A 542 9.170 0.573 7.027 1.00 0.00 N ATOM 516 CA ILE A 542 10.190 1.618 7.032 1.00 0.00 C ATOM 517 C ILE A 542 9.728 2.867 6.287 1.00 0.00 C ATOM 518 O ILE A 542 10.110 3.983 6.639 1.00 0.00 O ATOM 519 CB ILE A 542 11.509 1.125 6.412 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.938 -0.192 7.056 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.598 2.178 6.572 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.222 -1.280 6.049 1.00 0.00 C ATOM 0 H ILE A 542 9.101 0.048 6.155 1.00 0.00 H new ATOM 0 HA ILE A 542 10.358 1.872 8.078 1.00 0.00 H new ATOM 0 HB ILE A 542 11.350 0.954 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 542 12.830 -0.021 7.658 1.00 0.00 H new ATOM 0 HG13 ILE A 542 11.155 -0.529 7.735 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.524 1.814 6.128 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.292 3.097 6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.757 2.378 7.631 1.00 0.00 H new ATOM 0 HD11 ILE A 542 12.522 -2.189 6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.324 -1.477 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.026 -0.961 5.385 1.00 0.00 H new ATOM 534 N TYR A 543 8.909 2.680 5.257 1.00 0.00 N ATOM 535 CA TYR A 543 8.408 3.810 4.475 1.00 0.00 C ATOM 536 C TYR A 543 7.465 3.348 3.366 1.00 0.00 C ATOM 537 O TYR A 543 6.263 3.204 3.587 1.00 0.00 O ATOM 538 CB TYR A 543 9.565 4.634 3.872 1.00 0.00 C ATOM 539 CG TYR A 543 10.889 3.904 3.786 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.958 2.590 3.338 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.072 4.535 4.147 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.166 1.927 3.253 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.285 3.879 4.065 1.00 0.00 C ATOM 544 CZ TYR A 543 13.327 2.575 3.617 1.00 0.00 C ATOM 545 OH TYR A 543 14.535 1.920 3.536 1.00 0.00 O ATOM 0 H TYR A 543 8.579 1.767 4.945 1.00 0.00 H new ATOM 0 HA TYR A 543 7.849 4.447 5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.279 4.957 2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.701 5.535 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.051 2.079 3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.043 5.556 4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.201 0.906 2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.196 4.385 4.350 1.00 0.00 H new ATOM 0 HH TYR A 543 15.253 2.520 3.829 1.00 0.00 H new ATOM 555 N ILE A 544 8.009 3.136 2.173 1.00 0.00 N ATOM 556 CA ILE A 544 7.212 2.715 1.033 1.00 0.00 C ATOM 557 C ILE A 544 6.908 1.228 1.079 1.00 0.00 C ATOM 558 O ILE A 544 5.774 0.829 1.313 1.00 0.00 O ATOM 559 CB ILE A 544 7.921 3.039 -0.295 1.00 0.00 C ATOM 560 CG1 ILE A 544 8.723 4.339 -0.170 1.00 0.00 C ATOM 561 CG2 ILE A 544 6.902 3.135 -1.418 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.200 4.114 0.079 1.00 0.00 C ATOM 0 H ILE A 544 9.003 3.250 1.973 1.00 0.00 H new ATOM 0 HA ILE A 544 6.275 3.270 1.088 1.00 0.00 H new ATOM 0 HB ILE A 544 8.618 2.235 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 544 8.601 4.922 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.311 4.934 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 544 7.412 3.364 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 544 6.377 2.185 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.185 3.925 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 544 10.707 5.076 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.332 3.558 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 544 10.626 3.546 -0.748 1.00 0.00 H new ATOM 574 N GLU A 545 7.926 0.406 0.856 1.00 0.00 N ATOM 575 CA GLU A 545 7.751 -1.041 0.874 1.00 0.00 C ATOM 576 C GLU A 545 7.017 -1.495 -0.380 1.00 0.00 C ATOM 577 O GLU A 545 6.579 -0.670 -1.181 1.00 0.00 O ATOM 578 CB GLU A 545 6.969 -1.477 2.118 1.00 0.00 C ATOM 579 CG GLU A 545 7.264 -0.634 3.353 1.00 0.00 C ATOM 580 CD GLU A 545 6.004 -0.090 4.001 1.00 0.00 C ATOM 581 OE1 GLU A 545 4.936 -0.717 3.839 1.00 0.00 O ATOM 582 OE2 GLU A 545 6.087 0.962 4.669 1.00 0.00 O ATOM 0 H GLU A 545 8.878 0.715 0.661 1.00 0.00 H new ATOM 0 HA GLU A 545 8.737 -1.504 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.902 -1.427 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.202 -2.519 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.810 -1.237 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 545 7.913 0.196 3.075 1.00 0.00 H new ATOM 589 N GLY A 546 6.872 -2.806 -0.544 1.00 0.00 N ATOM 590 CA GLY A 546 6.173 -3.325 -1.706 1.00 0.00 C ATOM 591 C GLY A 546 4.834 -2.641 -1.894 1.00 0.00 C ATOM 592 O GLY A 546 4.734 -1.653 -2.619 1.00 0.00 O ATOM 0 H GLY A 546 7.223 -3.514 0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.786 -3.181 -2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.023 -4.399 -1.593 1.00 0.00 H new ATOM 596 N LEU A 547 3.814 -3.160 -1.215 1.00 0.00 N ATOM 597 CA LEU A 547 2.465 -2.594 -1.273 1.00 0.00 C ATOM 598 C LEU A 547 2.122 -2.052 -2.657 1.00 0.00 C ATOM 599 O LEU A 547 1.401 -1.063 -2.779 1.00 0.00 O ATOM 600 CB LEU A 547 2.327 -1.482 -0.225 1.00 0.00 C ATOM 601 CG LEU A 547 3.304 -0.308 -0.364 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.995 0.531 -1.596 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.257 0.557 0.884 1.00 0.00 C ATOM 0 H LEU A 547 3.896 -3.979 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 547 1.761 -3.398 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.310 -1.091 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.456 -1.922 0.764 1.00 0.00 H new ATOM 0 HG LEU A 547 4.307 -0.717 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.706 1.354 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.073 -0.090 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.984 0.931 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.954 1.388 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.247 0.945 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.536 -0.041 1.752 1.00 0.00 H new ATOM 615 N MET A 548 2.634 -2.694 -3.700 1.00 0.00 N ATOM 616 CA MET A 548 2.371 -2.248 -5.066 1.00 0.00 C ATOM 617 C MET A 548 0.907 -2.426 -5.457 1.00 0.00 C ATOM 618 O MET A 548 0.595 -2.749 -6.604 1.00 0.00 O ATOM 619 CB MET A 548 3.249 -3.001 -6.054 1.00 0.00 C ATOM 620 CG MET A 548 4.711 -3.079 -5.643 1.00 0.00 C ATOM 621 SD MET A 548 5.344 -4.767 -5.631 1.00 0.00 S ATOM 622 CE MET A 548 4.664 -5.369 -4.087 1.00 0.00 C ATOM 0 H MET A 548 3.229 -3.519 -3.629 1.00 0.00 H new ATOM 0 HA MET A 548 2.606 -1.184 -5.100 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.861 -4.012 -6.173 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.181 -2.517 -7.028 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.309 -2.477 -6.327 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.828 -2.645 -4.650 1.00 0.00 H new ATOM 0 HE1 MET A 548 5.311 -6.148 -3.684 1.00 0.00 H new ATOM 0 HE2 MET A 548 4.597 -4.547 -3.374 1.00 0.00 H new ATOM 0 HE3 MET A 548 3.669 -5.779 -4.263 1.00 0.00 H new ATOM 632 N HIS A 549 0.013 -2.190 -4.513 1.00 0.00 N ATOM 633 CA HIS A 549 -1.413 -2.295 -4.764 1.00 0.00 C ATOM 634 C HIS A 549 -2.046 -0.912 -4.692 1.00 0.00 C ATOM 635 O HIS A 549 -3.169 -0.705 -5.153 1.00 0.00 O ATOM 636 CB HIS A 549 -2.071 -3.232 -3.747 1.00 0.00 C ATOM 637 CG HIS A 549 -1.261 -4.456 -3.449 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.803 -4.765 -2.185 1.00 0.00 N ATOM 639 CD2 HIS A 549 -0.825 -5.450 -4.258 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.120 -5.896 -2.231 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.120 -6.331 -3.476 1.00 0.00 N ATOM 0 H HIS A 549 0.253 -1.922 -3.558 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.567 -2.710 -5.760 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.243 -2.685 -2.820 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -3.048 -3.536 -4.124 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -0.999 -5.534 -5.321 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.357 -6.381 -1.392 1.00 0.00 H new ATOM 0 HE2 HIS A 549 0.331 -7.185 -3.805 1.00 0.00 H new ATOM 650 N ASN A 550 -1.302 0.034 -4.117 1.00 0.00 N ATOM 651 CA ASN A 550 -1.759 1.419 -3.976 1.00 0.00 C ATOM 652 C ASN A 550 -2.948 1.541 -3.022 1.00 0.00 C ATOM 653 O ASN A 550 -2.957 2.412 -2.155 1.00 0.00 O ATOM 654 CB ASN A 550 -2.111 2.006 -5.344 1.00 0.00 C ATOM 655 CG ASN A 550 -0.922 2.683 -6.001 1.00 0.00 C ATOM 656 OD1 ASN A 550 -1.065 3.717 -6.653 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.262 2.101 -5.828 1.00 0.00 N ATOM 0 H ASN A 550 -0.371 -0.136 -3.738 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.937 1.988 -3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.480 1.212 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.920 2.727 -5.231 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.098 2.512 -6.244 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.334 1.244 -5.279 1.00 0.00 H new ATOM 664 N GLN A 551 -3.943 0.669 -3.189 1.00 0.00 N ATOM 665 CA GLN A 551 -5.144 0.661 -2.353 1.00 0.00 C ATOM 666 C GLN A 551 -6.234 1.544 -2.943 1.00 0.00 C ATOM 667 O GLN A 551 -6.018 2.722 -3.228 1.00 0.00 O ATOM 668 CB GLN A 551 -4.840 1.078 -0.914 1.00 0.00 C ATOM 669 CG GLN A 551 -3.660 0.341 -0.307 1.00 0.00 C ATOM 670 CD GLN A 551 -3.630 0.433 1.206 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.489 1.518 1.770 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.762 -0.708 1.872 1.00 0.00 N ATOM 0 H GLN A 551 -3.939 -0.053 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.507 -0.367 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.641 2.149 -0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.723 0.903 -0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.700 -0.707 -0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.734 0.751 -0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.877 -1.585 1.364 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.749 -0.708 2.892 1.00 0.00 H new ATOM 681 N ASP A 552 -7.403 0.948 -3.126 1.00 0.00 N ATOM 682 CA ASP A 552 -8.554 1.645 -3.688 1.00 0.00 C ATOM 683 C ASP A 552 -9.857 0.928 -3.333 1.00 0.00 C ATOM 684 O ASP A 552 -10.627 0.550 -4.217 1.00 0.00 O ATOM 685 CB ASP A 552 -8.414 1.752 -5.207 1.00 0.00 C ATOM 686 CG ASP A 552 -8.942 3.068 -5.745 1.00 0.00 C ATOM 687 OD1 ASP A 552 -9.025 4.039 -4.964 1.00 0.00 O ATOM 688 OD2 ASP A 552 -9.276 3.126 -6.947 1.00 0.00 O ATOM 0 H ASP A 552 -7.582 -0.028 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.587 2.646 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -7.364 1.646 -5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.951 0.929 -5.678 1.00 0.00 H new ATOM 693 N GLY A 553 -10.102 0.748 -2.037 1.00 0.00 N ATOM 694 CA GLY A 553 -11.316 0.083 -1.598 1.00 0.00 C ATOM 695 C GLY A 553 -11.261 -1.423 -1.779 1.00 0.00 C ATOM 696 O GLY A 553 -12.212 -2.031 -2.269 1.00 0.00 O ATOM 0 H GLY A 553 -9.483 1.050 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.490 0.312 -0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -12.164 0.480 -2.155 1.00 0.00 H new ATOM 700 N LEU A 554 -10.148 -2.027 -1.376 1.00 0.00 N ATOM 701 CA LEU A 554 -9.975 -3.473 -1.493 1.00 0.00 C ATOM 702 C LEU A 554 -10.000 -4.143 -0.122 1.00 0.00 C ATOM 703 O LEU A 554 -10.235 -5.347 -0.013 1.00 0.00 O ATOM 704 CB LEU A 554 -8.653 -3.794 -2.188 1.00 0.00 C ATOM 705 CG LEU A 554 -8.307 -2.894 -3.374 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.999 -3.335 -4.012 1.00 0.00 C ATOM 707 CD2 LEU A 554 -9.435 -2.907 -4.395 1.00 0.00 C ATOM 0 H LEU A 554 -9.352 -1.539 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.804 -3.859 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.849 -3.727 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.684 -4.827 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 554 -8.183 -1.873 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.767 -2.684 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.197 -3.275 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -7.094 -4.363 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -9.174 -2.262 -5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -9.589 -3.925 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -10.351 -2.544 -3.929 1.00 0.00 H new ATOM 719 N ILE A 555 -9.744 -3.359 0.916 1.00 0.00 N ATOM 720 CA ILE A 555 -9.722 -3.871 2.279 1.00 0.00 C ATOM 721 C ILE A 555 -10.912 -3.357 3.083 1.00 0.00 C ATOM 722 O ILE A 555 -11.329 -3.977 4.061 1.00 0.00 O ATOM 723 CB ILE A 555 -8.413 -3.484 2.990 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.210 -3.763 2.085 1.00 0.00 C ATOM 725 CG2 ILE A 555 -8.280 -4.242 4.298 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.362 -2.541 1.821 1.00 0.00 C ATOM 0 H ILE A 555 -9.548 -2.361 0.839 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.786 -4.957 2.218 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.439 -2.416 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.591 -4.534 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.564 -4.162 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.350 -3.958 4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.122 -3.999 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.273 -5.314 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.528 -2.810 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.967 -1.776 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -5.978 -2.154 2.765 1.00 0.00 H new ATOM 738 N CYS A 556 -11.464 -2.226 2.654 1.00 0.00 N ATOM 739 CA CYS A 556 -12.619 -1.632 3.321 1.00 0.00 C ATOM 740 C CYS A 556 -13.911 -2.223 2.783 1.00 0.00 C ATOM 741 O CYS A 556 -14.944 -1.556 2.726 1.00 0.00 O ATOM 742 CB CYS A 556 -12.609 -0.109 3.142 1.00 0.00 C ATOM 743 SG CYS A 556 -13.415 0.845 4.484 1.00 0.00 S ATOM 0 H CYS A 556 -11.130 -1.701 1.846 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.558 -1.858 4.386 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.574 0.223 3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.102 0.133 2.201 1.00 0.00 H new ATOM 748 N GLY A 557 -13.834 -3.485 2.387 1.00 0.00 N ATOM 749 CA GLY A 557 -14.972 -4.178 1.854 1.00 0.00 C ATOM 750 C GLY A 557 -14.532 -5.382 1.063 1.00 0.00 C ATOM 751 O GLY A 557 -13.845 -6.259 1.584 1.00 0.00 O ATOM 0 H GLY A 557 -12.982 -4.044 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.629 -4.489 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.548 -3.507 1.217 1.00 0.00 H new ATOM 755 N LEU A 558 -14.903 -5.411 -0.201 1.00 0.00 N ATOM 756 CA LEU A 558 -14.533 -6.509 -1.078 1.00 0.00 C ATOM 757 C LEU A 558 -14.520 -6.046 -2.532 1.00 0.00 C ATOM 758 O LEU A 558 -13.647 -6.428 -3.310 1.00 0.00 O ATOM 759 CB LEU A 558 -15.499 -7.685 -0.900 1.00 0.00 C ATOM 760 CG LEU A 558 -16.371 -7.643 0.363 1.00 0.00 C ATOM 761 CD1 LEU A 558 -17.632 -8.468 0.164 1.00 0.00 C ATOM 762 CD2 LEU A 558 -15.589 -8.139 1.575 1.00 0.00 C ATOM 0 H LEU A 558 -15.463 -4.685 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.530 -6.843 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.154 -7.729 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -14.920 -8.609 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 558 -16.661 -6.608 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -18.239 -8.428 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -18.202 -8.066 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -17.361 -9.503 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -16.225 -8.101 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.266 -9.166 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -14.716 -7.505 1.729 1.00 0.00 H new ATOM 774 N ARG A 559 -15.494 -5.213 -2.884 1.00 0.00 N ATOM 775 CA ARG A 559 -15.601 -4.684 -4.237 1.00 0.00 C ATOM 776 C ARG A 559 -16.038 -3.223 -4.204 1.00 0.00 C ATOM 777 O ARG A 559 -16.934 -2.814 -4.944 1.00 0.00 O ATOM 778 CB ARG A 559 -16.592 -5.512 -5.056 1.00 0.00 C ATOM 779 CG ARG A 559 -17.822 -5.940 -4.272 1.00 0.00 C ATOM 780 CD ARG A 559 -19.014 -6.160 -5.186 1.00 0.00 C ATOM 781 NE ARG A 559 -20.245 -6.400 -4.436 1.00 0.00 N ATOM 782 CZ ARG A 559 -21.444 -6.524 -5.001 1.00 0.00 C ATOM 783 NH1 ARG A 559 -21.577 -6.433 -6.319 1.00 0.00 N ATOM 784 NH2 ARG A 559 -22.512 -6.742 -4.247 1.00 0.00 N ATOM 0 H ARG A 559 -16.223 -4.889 -2.248 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.621 -4.745 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.908 -4.932 -5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -16.085 -6.400 -5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.606 -6.859 -3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.066 -5.179 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.145 -5.288 -5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.817 -7.010 -5.840 1.00 0.00 H new ATOM 0 HE ARG A 559 -20.182 -6.477 -3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -20.758 -6.267 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -22.498 -6.529 -6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -22.415 -6.815 -3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -23.431 -6.837 -4.680 1.00 0.00 H new ATOM 798 N GLN A 560 -15.401 -2.443 -3.334 1.00 0.00 N ATOM 799 CA GLN A 560 -15.718 -1.021 -3.189 1.00 0.00 C ATOM 800 C GLN A 560 -15.846 -0.342 -4.551 1.00 0.00 C ATOM 801 O GLN A 560 -15.020 -0.640 -5.439 1.00 0.00 O ATOM 802 CB GLN A 560 -14.641 -0.314 -2.357 1.00 0.00 C ATOM 803 CG GLN A 560 -14.539 -0.798 -0.915 1.00 0.00 C ATOM 804 CD GLN A 560 -15.894 -1.076 -0.287 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.445 -0.236 0.425 1.00 0.00 O ATOM 806 NE2 GLN A 560 -16.434 -2.260 -0.550 1.00 0.00 N ATOM 807 OXT GLN A 560 -16.770 0.481 -4.715 1.00 0.00 O ATOM 0 H GLN A 560 -14.659 -2.772 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 560 -16.676 -0.946 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.675 -0.452 -2.843 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.846 0.757 -2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.937 -1.706 -0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.016 -0.048 -0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.940 -2.925 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.343 -2.505 -0.156 1.00 0.00 H new