USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 508 GLN : amide:sc= -0.358 K(o=-2.5,f=-4.7) USER MOD Set 1.2: A 512 ASN : amide:sc= -2.12 K(o=-2.5,f=-4.4!) USER MOD Single : A 510 LYS NZ :NH3+ -174:sc=-0.00622 (180deg=-0.0866) USER MOD Single : A 514 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.2!) USER MOD Single : A 516 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.57) USER MOD Single : A 517 TYR OH : rot -116:sc= -3.94! USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 520 THR OG1 : rot 180:sc= 0 USER MOD Single : A 521 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.011) USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 549 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-4.7!) USER MOD Single : A 550 ASN : amide:sc= -2.28 K(o=-2.3,f=-4.6!) USER MOD Single : A 551 GLN : amide:sc= -3.71 K(o=-3.7,f=-13!) USER MOD Single : A 560 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -20.220 2.940 -1.607 1.00 0.00 N ATOM 2 CA ALA A 507 -19.673 2.163 -0.464 1.00 0.00 C ATOM 3 C ALA A 507 -18.636 1.151 -0.938 1.00 0.00 C ATOM 4 O ALA A 507 -18.866 0.416 -1.898 1.00 0.00 O ATOM 5 CB ALA A 507 -20.798 1.457 0.280 1.00 0.00 C ATOM 0 HA ALA A 507 -19.182 2.859 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -20.384 0.892 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -21.504 2.196 0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -21.313 0.777 -0.399 1.00 0.00 H new ATOM 13 N GLN A 508 -17.495 1.119 -0.257 1.00 0.00 N ATOM 14 CA GLN A 508 -16.422 0.196 -0.608 1.00 0.00 C ATOM 15 C GLN A 508 -16.765 -1.226 -0.175 1.00 0.00 C ATOM 16 O GLN A 508 -17.646 -1.434 0.660 1.00 0.00 O ATOM 17 CB GLN A 508 -15.110 0.637 0.043 1.00 0.00 C ATOM 18 CG GLN A 508 -15.174 0.697 1.560 1.00 0.00 C ATOM 19 CD GLN A 508 -13.803 0.650 2.205 1.00 0.00 C ATOM 20 OE1 GLN A 508 -12.917 -0.077 1.754 1.00 0.00 O ATOM 21 NE2 GLN A 508 -13.621 1.425 3.267 1.00 0.00 N ATOM 0 H GLN A 508 -17.290 1.721 0.540 1.00 0.00 H new ATOM 0 HA GLN A 508 -16.305 0.208 -1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -14.318 -0.052 -0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -14.836 1.620 -0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -15.682 1.613 1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -15.773 -0.136 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -14.383 2.012 3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -12.719 1.434 3.743 1.00 0.00 H new ATOM 30 N PRO A 509 -16.070 -2.229 -0.737 1.00 0.00 N ATOM 31 CA PRO A 509 -16.290 -3.627 -0.418 1.00 0.00 C ATOM 32 C PRO A 509 -15.336 -4.129 0.657 1.00 0.00 C ATOM 33 O PRO A 509 -15.114 -5.333 0.796 1.00 0.00 O ATOM 34 CB PRO A 509 -16.008 -4.310 -1.753 1.00 0.00 C ATOM 35 CG PRO A 509 -15.016 -3.424 -2.452 1.00 0.00 C ATOM 36 CD PRO A 509 -15.005 -2.090 -1.734 1.00 0.00 C ATOM 0 HA PRO A 509 -17.285 -3.819 -0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -15.604 -5.311 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -16.920 -4.418 -2.340 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -14.024 -3.875 -2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -15.291 -3.293 -3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -14.040 -1.894 -1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -15.201 -1.264 -2.418 1.00 0.00 H new ATOM 44 N LYS A 510 -14.778 -3.196 1.417 1.00 0.00 N ATOM 45 CA LYS A 510 -13.847 -3.531 2.489 1.00 0.00 C ATOM 46 C LYS A 510 -12.753 -4.475 2.000 1.00 0.00 C ATOM 47 O LYS A 510 -12.726 -5.651 2.367 1.00 0.00 O ATOM 48 CB LYS A 510 -14.603 -4.173 3.650 1.00 0.00 C ATOM 49 CG LYS A 510 -15.089 -3.173 4.688 1.00 0.00 C ATOM 50 CD LYS A 510 -14.819 -3.660 6.102 1.00 0.00 C ATOM 51 CE LYS A 510 -15.478 -2.762 7.137 1.00 0.00 C ATOM 52 NZ LYS A 510 -14.994 -1.356 7.046 1.00 0.00 N ATOM 0 H LYS A 510 -14.954 -2.197 1.311 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.373 -2.609 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -15.459 -4.720 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -13.955 -4.902 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -14.593 -2.215 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -16.158 -3.004 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -15.190 -4.679 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -13.744 -3.691 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -16.559 -2.783 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -15.276 -3.151 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -15.390 -0.801 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -13.956 -1.342 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -15.298 -0.942 6.142 1.00 0.00 H new ATOM 66 N CYS A 511 -11.854 -3.961 1.169 1.00 0.00 N ATOM 67 CA CYS A 511 -10.767 -4.772 0.636 1.00 0.00 C ATOM 68 C CYS A 511 -9.418 -4.061 0.749 1.00 0.00 C ATOM 69 O CYS A 511 -8.385 -4.621 0.380 1.00 0.00 O ATOM 70 CB CYS A 511 -11.052 -5.132 -0.821 1.00 0.00 C ATOM 71 SG CYS A 511 -11.424 -3.698 -1.880 1.00 0.00 S ATOM 0 H CYS A 511 -11.856 -2.992 0.851 1.00 0.00 H new ATOM 0 HA CYS A 511 -10.709 -5.683 1.232 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -10.189 -5.658 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.893 -5.824 -0.856 1.00 0.00 H new ATOM 76 N ASN A 512 -9.423 -2.833 1.265 1.00 0.00 N ATOM 77 CA ASN A 512 -8.189 -2.070 1.425 1.00 0.00 C ATOM 78 C ASN A 512 -7.290 -2.727 2.467 1.00 0.00 C ATOM 79 O ASN A 512 -7.778 -3.377 3.392 1.00 0.00 O ATOM 80 CB ASN A 512 -8.500 -0.629 1.835 1.00 0.00 C ATOM 81 CG ASN A 512 -9.662 -0.040 1.059 1.00 0.00 C ATOM 82 OD1 ASN A 512 -9.951 -0.460 -0.062 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.337 0.938 1.654 1.00 0.00 N ATOM 0 H ASN A 512 -10.264 -2.348 1.578 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.667 -2.057 0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -8.727 -0.599 2.901 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -7.615 -0.012 1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -11.130 1.372 1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -10.063 1.255 2.584 1.00 0.00 H new ATOM 90 N PRO A 513 -5.961 -2.579 2.332 1.00 0.00 N ATOM 91 CA PRO A 513 -5.010 -3.171 3.260 1.00 0.00 C ATOM 92 C PRO A 513 -4.670 -2.245 4.430 1.00 0.00 C ATOM 93 O PRO A 513 -5.455 -1.371 4.797 1.00 0.00 O ATOM 94 CB PRO A 513 -3.797 -3.385 2.361 1.00 0.00 C ATOM 95 CG PRO A 513 -3.813 -2.206 1.452 1.00 0.00 C ATOM 96 CD PRO A 513 -5.267 -1.836 1.260 1.00 0.00 C ATOM 0 HA PRO A 513 -5.387 -4.074 3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -2.874 -3.431 2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -3.872 -4.319 1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -3.254 -1.375 1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -3.343 -2.445 0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -5.422 -0.761 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -5.627 -2.127 0.273 1.00 0.00 H new ATOM 104 N ASN A 514 -3.493 -2.457 5.002 1.00 0.00 N ATOM 105 CA ASN A 514 -3.007 -1.669 6.130 1.00 0.00 C ATOM 106 C ASN A 514 -3.010 -0.182 5.822 1.00 0.00 C ATOM 107 O ASN A 514 -3.796 0.583 6.378 1.00 0.00 O ATOM 108 CB ASN A 514 -1.581 -2.089 6.453 1.00 0.00 C ATOM 109 CG ASN A 514 -1.512 -3.107 7.572 1.00 0.00 C ATOM 110 OD1 ASN A 514 -1.281 -4.291 7.337 1.00 0.00 O ATOM 111 ND2 ASN A 514 -1.716 -2.648 8.802 1.00 0.00 N ATOM 0 H ASN A 514 -2.845 -3.183 4.697 1.00 0.00 H new ATOM 0 HA ASN A 514 -3.673 -1.849 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -1.118 -2.506 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -1.001 -1.209 6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -1.684 -3.287 9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -1.905 -1.657 8.952 1.00 0.00 H new ATOM 118 N LEU A 515 -2.095 0.206 4.938 1.00 0.00 N ATOM 119 CA LEU A 515 -1.927 1.589 4.521 1.00 0.00 C ATOM 120 C LEU A 515 -2.074 2.553 5.695 1.00 0.00 C ATOM 121 O LEU A 515 -2.718 3.595 5.586 1.00 0.00 O ATOM 122 CB LEU A 515 -2.921 1.907 3.411 1.00 0.00 C ATOM 123 CG LEU A 515 -4.390 1.928 3.834 1.00 0.00 C ATOM 124 CD1 LEU A 515 -4.888 3.357 3.996 1.00 0.00 C ATOM 125 CD2 LEU A 515 -5.244 1.174 2.827 1.00 0.00 C ATOM 0 H LEU A 515 -1.445 -0.439 4.489 1.00 0.00 H new ATOM 0 HA LEU A 515 -0.915 1.719 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -2.668 2.879 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.800 1.171 2.616 1.00 0.00 H new ATOM 0 HG LEU A 515 -4.474 1.430 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.935 3.345 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -4.297 3.864 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.789 3.886 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -6.287 1.199 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -5.151 1.643 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.907 0.139 2.767 1.00 0.00 H new ATOM 137 N HIS A 516 -1.464 2.188 6.819 1.00 0.00 N ATOM 138 CA HIS A 516 -1.516 3.010 8.021 1.00 0.00 C ATOM 139 C HIS A 516 -0.127 3.203 8.638 1.00 0.00 C ATOM 140 O HIS A 516 0.029 3.975 9.584 1.00 0.00 O ATOM 141 CB HIS A 516 -2.460 2.380 9.049 1.00 0.00 C ATOM 142 CG HIS A 516 -3.607 3.265 9.428 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.158 4.193 8.568 1.00 0.00 N ATOM 144 CD2 HIS A 516 -4.309 3.362 10.582 1.00 0.00 C ATOM 145 CE1 HIS A 516 -5.148 4.822 9.178 1.00 0.00 C ATOM 146 NE2 HIS A 516 -5.260 4.336 10.400 1.00 0.00 N ATOM 0 H HIS A 516 -0.927 1.327 6.921 1.00 0.00 H new ATOM 0 HA HIS A 516 -1.892 3.992 7.733 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.850 1.445 8.647 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -1.893 2.129 9.946 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -4.150 2.781 11.479 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -5.761 5.601 8.749 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -5.942 4.635 11.096 1.00 0.00 H new ATOM 155 N TYR A 517 0.880 2.507 8.107 1.00 0.00 N ATOM 156 CA TYR A 517 2.237 2.629 8.633 1.00 0.00 C ATOM 157 C TYR A 517 2.860 3.961 8.224 1.00 0.00 C ATOM 158 O TYR A 517 3.782 4.453 8.876 1.00 0.00 O ATOM 159 CB TYR A 517 3.116 1.452 8.165 1.00 0.00 C ATOM 160 CG TYR A 517 3.551 1.514 6.709 1.00 0.00 C ATOM 161 CD1 TYR A 517 4.295 2.583 6.223 1.00 0.00 C ATOM 162 CD2 TYR A 517 3.212 0.499 5.819 1.00 0.00 C ATOM 163 CE1 TYR A 517 4.683 2.643 4.903 1.00 0.00 C ATOM 164 CE2 TYR A 517 3.600 0.552 4.494 1.00 0.00 C ATOM 165 CZ TYR A 517 4.332 1.626 4.042 1.00 0.00 C ATOM 166 OH TYR A 517 4.716 1.684 2.724 1.00 0.00 O ATOM 0 H TYR A 517 0.782 1.861 7.323 1.00 0.00 H new ATOM 0 HA TYR A 517 2.180 2.599 9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 517 4.006 1.411 8.793 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.569 0.523 8.326 1.00 0.00 H new ATOM 0 HD1 TYR A 517 4.574 3.382 6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 517 2.636 -0.344 6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 517 5.259 3.483 4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 517 3.330 -0.245 3.817 1.00 0.00 H new ATOM 0 HH TYR A 517 3.921 1.751 2.154 1.00 0.00 H new ATOM 176 N TRP A 518 2.356 4.536 7.136 1.00 0.00 N ATOM 177 CA TRP A 518 2.856 5.796 6.629 1.00 0.00 C ATOM 178 C TRP A 518 1.881 6.918 6.930 1.00 0.00 C ATOM 179 O TRP A 518 0.675 6.788 6.719 1.00 0.00 O ATOM 180 CB TRP A 518 3.095 5.706 5.126 1.00 0.00 C ATOM 181 CG TRP A 518 4.222 6.569 4.653 1.00 0.00 C ATOM 182 CD1 TRP A 518 4.132 7.637 3.813 1.00 0.00 C ATOM 183 CD2 TRP A 518 5.608 6.439 4.994 1.00 0.00 C ATOM 184 NE1 TRP A 518 5.376 8.182 3.607 1.00 0.00 N ATOM 185 CE2 TRP A 518 6.300 7.465 4.320 1.00 0.00 C ATOM 186 CE3 TRP A 518 6.332 5.558 5.802 1.00 0.00 C ATOM 187 CZ2 TRP A 518 7.678 7.631 4.432 1.00 0.00 C ATOM 188 CZ3 TRP A 518 7.700 5.724 5.911 1.00 0.00 C ATOM 189 CH2 TRP A 518 8.360 6.753 5.229 1.00 0.00 C ATOM 0 H TRP A 518 1.593 4.139 6.588 1.00 0.00 H new ATOM 0 HA TRP A 518 3.802 6.012 7.126 1.00 0.00 H new ATOM 0 HB2 TRP A 518 3.304 4.670 4.860 1.00 0.00 H new ATOM 0 HB3 TRP A 518 2.183 5.992 4.602 1.00 0.00 H new ATOM 0 HD1 TRP A 518 3.216 8.002 3.373 1.00 0.00 H new ATOM 0 HE1 TRP A 518 5.579 8.990 3.018 1.00 0.00 H new ATOM 0 HE3 TRP A 518 5.831 4.761 6.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 8.190 8.425 3.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 8.269 5.049 6.533 1.00 0.00 H new ATOM 0 HH2 TRP A 518 9.430 6.856 5.334 1.00 0.00 H new ATOM 200 N THR A 519 2.436 8.012 7.425 1.00 0.00 N ATOM 201 CA THR A 519 1.679 9.215 7.781 1.00 0.00 C ATOM 202 C THR A 519 0.299 9.260 7.122 1.00 0.00 C ATOM 203 O THR A 519 -0.717 9.390 7.805 1.00 0.00 O ATOM 204 CB THR A 519 2.482 10.451 7.384 1.00 0.00 C ATOM 205 OG1 THR A 519 1.677 11.615 7.438 1.00 0.00 O ATOM 206 CG2 THR A 519 3.068 10.358 5.991 1.00 0.00 C ATOM 0 H THR A 519 3.438 8.097 7.596 1.00 0.00 H new ATOM 0 HA THR A 519 1.517 9.194 8.859 1.00 0.00 H new ATOM 0 HB THR A 519 3.300 10.508 8.103 1.00 0.00 H new ATOM 0 HG1 THR A 519 2.212 12.395 7.181 1.00 0.00 H new ATOM 0 HG21 THR A 519 3.627 11.267 5.770 1.00 0.00 H new ATOM 0 HG22 THR A 519 3.736 9.499 5.934 1.00 0.00 H new ATOM 0 HG23 THR A 519 2.264 10.241 5.265 1.00 0.00 H new ATOM 214 N THR A 520 0.267 9.146 5.795 1.00 0.00 N ATOM 215 CA THR A 520 -0.996 9.173 5.060 1.00 0.00 C ATOM 216 C THR A 520 -0.775 9.015 3.556 1.00 0.00 C ATOM 217 O THR A 520 -1.452 8.223 2.900 1.00 0.00 O ATOM 218 CB THR A 520 -1.757 10.477 5.341 1.00 0.00 C ATOM 219 OG1 THR A 520 -3.147 10.299 5.136 1.00 0.00 O ATOM 220 CG2 THR A 520 -1.314 11.643 4.477 1.00 0.00 C ATOM 0 H THR A 520 1.095 9.035 5.210 1.00 0.00 H new ATOM 0 HA THR A 520 -1.592 8.329 5.406 1.00 0.00 H new ATOM 0 HB THR A 520 -1.532 10.716 6.380 1.00 0.00 H new ATOM 0 HG1 THR A 520 -3.615 11.140 5.321 1.00 0.00 H new ATOM 0 HG21 THR A 520 -1.897 12.528 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 520 -0.256 11.842 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 520 -1.470 11.398 3.427 1.00 0.00 H new ATOM 228 N GLN A 521 0.163 9.787 3.012 1.00 0.00 N ATOM 229 CA GLN A 521 0.455 9.746 1.581 1.00 0.00 C ATOM 230 C GLN A 521 0.582 8.317 1.073 1.00 0.00 C ATOM 231 O GLN A 521 0.950 7.409 1.818 1.00 0.00 O ATOM 232 CB GLN A 521 1.736 10.516 1.266 1.00 0.00 C ATOM 233 CG GLN A 521 2.946 10.034 2.045 1.00 0.00 C ATOM 234 CD GLN A 521 4.164 10.914 1.836 1.00 0.00 C ATOM 235 OE1 GLN A 521 4.977 10.666 0.946 1.00 0.00 O ATOM 236 NE2 GLN A 521 4.295 11.949 2.657 1.00 0.00 N ATOM 0 H GLN A 521 0.733 10.448 3.540 1.00 0.00 H new ATOM 0 HA GLN A 521 -0.384 10.219 1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.946 10.434 0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 521 1.576 11.573 1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 521 2.702 10.005 3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 521 3.184 9.014 1.744 1.00 0.00 H new ATOM 0 HE21 GLN A 521 3.597 12.117 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 521 5.094 12.576 2.564 1.00 0.00 H new ATOM 245 N ASP A 522 0.271 8.131 -0.203 1.00 0.00 N ATOM 246 CA ASP A 522 0.343 6.818 -0.828 1.00 0.00 C ATOM 247 C ASP A 522 1.705 6.169 -0.600 1.00 0.00 C ATOM 248 O ASP A 522 2.662 6.435 -1.327 1.00 0.00 O ATOM 249 CB ASP A 522 0.063 6.929 -2.328 1.00 0.00 C ATOM 250 CG ASP A 522 -1.412 7.105 -2.630 1.00 0.00 C ATOM 251 OD1 ASP A 522 -2.243 6.609 -1.840 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.736 7.738 -3.656 1.00 0.00 O ATOM 0 H ASP A 522 -0.035 8.877 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 522 -0.416 6.187 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 522 0.618 7.774 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.429 6.034 -2.830 1.00 0.00 H new ATOM 257 N GLU A 523 1.779 5.315 0.413 1.00 0.00 N ATOM 258 CA GLU A 523 3.017 4.620 0.739 1.00 0.00 C ATOM 259 C GLU A 523 3.101 3.301 -0.013 1.00 0.00 C ATOM 260 O GLU A 523 3.101 2.224 0.583 1.00 0.00 O ATOM 261 CB GLU A 523 3.108 4.374 2.242 1.00 0.00 C ATOM 262 CG GLU A 523 1.939 3.582 2.810 1.00 0.00 C ATOM 263 CD GLU A 523 0.804 4.469 3.285 1.00 0.00 C ATOM 264 OE1 GLU A 523 0.173 5.132 2.435 1.00 0.00 O ATOM 265 OE2 GLU A 523 0.546 4.500 4.507 1.00 0.00 O ATOM 0 H GLU A 523 0.995 5.087 1.024 1.00 0.00 H new ATOM 0 HA GLU A 523 3.854 5.248 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 523 4.034 3.841 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 523 3.166 5.334 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 523 1.565 2.898 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.290 2.972 3.642 1.00 0.00 H new ATOM 272 N GLY A 524 3.145 3.402 -1.331 1.00 0.00 N ATOM 273 CA GLY A 524 3.198 2.226 -2.170 1.00 0.00 C ATOM 274 C GLY A 524 1.895 2.026 -2.908 1.00 0.00 C ATOM 275 O GLY A 524 1.673 0.988 -3.530 1.00 0.00 O ATOM 0 H GLY A 524 3.145 4.287 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 524 4.014 2.323 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 524 3.412 1.349 -1.559 1.00 0.00 H new ATOM 279 N ALA A 525 1.025 3.031 -2.827 1.00 0.00 N ATOM 280 CA ALA A 525 -0.275 2.978 -3.478 1.00 0.00 C ATOM 281 C ALA A 525 -0.151 3.050 -5.001 1.00 0.00 C ATOM 282 O ALA A 525 -0.734 3.925 -5.642 1.00 0.00 O ATOM 283 CB ALA A 525 -1.161 4.105 -2.961 1.00 0.00 C ATOM 0 H ALA A 525 1.202 3.894 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 525 -0.733 2.019 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -2.133 4.059 -3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.294 3.999 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -0.691 5.065 -3.175 1.00 0.00 H new ATOM 289 N ALA A 526 0.602 2.116 -5.577 1.00 0.00 N ATOM 290 CA ALA A 526 0.795 2.059 -7.021 1.00 0.00 C ATOM 291 C ALA A 526 1.282 3.388 -7.573 1.00 0.00 C ATOM 292 O ALA A 526 0.493 4.230 -7.998 1.00 0.00 O ATOM 293 CB ALA A 526 -0.488 1.632 -7.715 1.00 0.00 C ATOM 0 H ALA A 526 1.091 1.385 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 526 1.566 1.315 -7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -0.324 1.595 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -0.783 0.645 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -1.278 2.349 -7.492 1.00 0.00 H new ATOM 299 N ILE A 527 2.592 3.564 -7.551 1.00 0.00 N ATOM 300 CA ILE A 527 3.213 4.775 -8.029 1.00 0.00 C ATOM 301 C ILE A 527 4.728 4.670 -7.924 1.00 0.00 C ATOM 302 O ILE A 527 5.447 4.916 -8.893 1.00 0.00 O ATOM 303 CB ILE A 527 2.710 5.972 -7.222 1.00 0.00 C ATOM 304 CG1 ILE A 527 3.398 7.267 -7.660 1.00 0.00 C ATOM 305 CG2 ILE A 527 2.914 5.712 -5.746 1.00 0.00 C ATOM 306 CD1 ILE A 527 2.657 8.517 -7.240 1.00 0.00 C ATOM 0 H ILE A 527 3.250 2.868 -7.200 1.00 0.00 H new ATOM 0 HA ILE A 527 2.947 4.917 -9.077 1.00 0.00 H new ATOM 0 HB ILE A 527 1.644 6.099 -7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.404 7.293 -7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 527 3.503 7.264 -8.745 1.00 0.00 H new ATOM 0 HG21 ILE A 527 2.555 6.567 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 527 2.360 4.820 -5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.975 5.561 -5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 527 3.202 9.396 -7.584 1.00 0.00 H new ATOM 0 HD12 ILE A 527 1.659 8.514 -7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 527 2.575 8.543 -6.153 1.00 0.00 H new ATOM 318 N GLY A 528 5.205 4.281 -6.744 1.00 0.00 N ATOM 319 CA GLY A 528 6.634 4.123 -6.521 1.00 0.00 C ATOM 320 C GLY A 528 7.446 5.402 -6.718 1.00 0.00 C ATOM 321 O GLY A 528 8.578 5.491 -6.241 1.00 0.00 O ATOM 0 H GLY A 528 4.623 4.071 -5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 528 6.793 3.758 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 528 7.013 3.358 -7.198 1.00 0.00 H new ATOM 325 N ALA A 529 6.881 6.392 -7.414 1.00 0.00 N ATOM 326 CA ALA A 529 7.571 7.656 -7.663 1.00 0.00 C ATOM 327 C ALA A 529 9.024 7.435 -8.081 1.00 0.00 C ATOM 328 O ALA A 529 9.901 8.228 -7.742 1.00 0.00 O ATOM 329 CB ALA A 529 7.505 8.539 -6.425 1.00 0.00 C ATOM 0 H ALA A 529 5.945 6.340 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 529 7.065 8.155 -8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 529 8.022 9.479 -6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 529 6.463 8.743 -6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 529 7.983 8.029 -5.588 1.00 0.00 H new ATOM 335 N ALA A 530 9.267 6.347 -8.815 1.00 0.00 N ATOM 336 CA ALA A 530 10.609 6.002 -9.280 1.00 0.00 C ATOM 337 C ALA A 530 10.646 4.541 -9.695 1.00 0.00 C ATOM 338 O ALA A 530 11.477 3.777 -9.210 1.00 0.00 O ATOM 339 CB ALA A 530 11.647 6.258 -8.190 1.00 0.00 C ATOM 0 H ALA A 530 8.545 5.686 -9.101 1.00 0.00 H new ATOM 0 HA ALA A 530 10.850 6.632 -10.136 1.00 0.00 H new ATOM 0 HB1 ALA A 530 12.637 5.993 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 530 11.633 7.312 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 530 11.413 5.651 -7.315 1.00 0.00 H new ATOM 345 N TRP A 531 9.715 4.157 -10.574 1.00 0.00 N ATOM 346 CA TRP A 531 9.601 2.775 -11.048 1.00 0.00 C ATOM 347 C TRP A 531 10.098 1.812 -10.005 1.00 0.00 C ATOM 348 O TRP A 531 10.848 0.875 -10.288 1.00 0.00 O ATOM 349 CB TRP A 531 10.356 2.563 -12.350 1.00 0.00 C ATOM 350 CG TRP A 531 11.629 3.346 -12.451 1.00 0.00 C ATOM 351 CD1 TRP A 531 12.650 3.366 -11.548 1.00 0.00 C ATOM 352 CD2 TRP A 531 12.021 4.216 -13.520 1.00 0.00 C ATOM 353 NE1 TRP A 531 13.652 4.198 -11.984 1.00 0.00 N ATOM 354 CE2 TRP A 531 13.290 4.731 -13.194 1.00 0.00 C ATOM 355 CE3 TRP A 531 11.422 4.609 -14.720 1.00 0.00 C ATOM 356 CZ2 TRP A 531 13.969 5.618 -14.025 1.00 0.00 C ATOM 357 CZ3 TRP A 531 12.097 5.490 -15.544 1.00 0.00 C ATOM 358 CH2 TRP A 531 13.359 5.986 -15.193 1.00 0.00 C ATOM 0 H TRP A 531 9.024 4.791 -10.975 1.00 0.00 H new ATOM 0 HA TRP A 531 8.544 2.584 -11.235 1.00 0.00 H new ATOM 0 HB2 TRP A 531 10.584 1.503 -12.457 1.00 0.00 H new ATOM 0 HB3 TRP A 531 9.707 2.835 -13.183 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.668 2.808 -10.623 1.00 0.00 H new ATOM 0 HE1 TRP A 531 14.523 4.388 -11.489 1.00 0.00 H new ATOM 0 HE3 TRP A 531 10.449 4.231 -14.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 14.942 6.002 -13.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 11.644 5.801 -16.474 1.00 0.00 H new ATOM 0 HH2 TRP A 531 13.861 6.673 -15.858 1.00 0.00 H new ATOM 369 N ILE A 532 9.687 2.076 -8.790 1.00 0.00 N ATOM 370 CA ILE A 532 10.079 1.284 -7.675 1.00 0.00 C ATOM 371 C ILE A 532 8.888 1.018 -6.758 1.00 0.00 C ATOM 372 O ILE A 532 9.064 0.727 -5.583 1.00 0.00 O ATOM 373 CB ILE A 532 11.172 2.035 -6.919 1.00 0.00 C ATOM 374 CG1 ILE A 532 11.807 1.155 -5.841 1.00 0.00 C ATOM 375 CG2 ILE A 532 10.582 3.309 -6.339 1.00 0.00 C ATOM 376 CD1 ILE A 532 13.010 1.787 -5.175 1.00 0.00 C ATOM 0 H ILE A 532 9.068 2.852 -8.556 1.00 0.00 H new ATOM 0 HA ILE A 532 10.454 0.320 -8.019 1.00 0.00 H new ATOM 0 HB ILE A 532 11.974 2.301 -7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.059 0.928 -5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 532 12.106 0.206 -6.287 1.00 0.00 H new ATOM 0 HG21 ILE A 532 11.355 3.854 -5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 532 10.198 3.932 -7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 532 9.770 3.056 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 532 13.408 1.107 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 532 13.776 1.989 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 532 12.713 2.722 -4.699 1.00 0.00 H new ATOM 388 N PRO A 533 7.645 1.092 -7.280 1.00 0.00 N ATOM 389 CA PRO A 533 6.466 0.830 -6.465 1.00 0.00 C ATOM 390 C PRO A 533 6.458 -0.618 -6.001 1.00 0.00 C ATOM 391 O PRO A 533 5.770 -0.987 -5.050 1.00 0.00 O ATOM 392 CB PRO A 533 5.290 1.104 -7.404 1.00 0.00 C ATOM 393 CG PRO A 533 5.854 0.986 -8.776 1.00 0.00 C ATOM 394 CD PRO A 533 7.291 1.398 -8.679 1.00 0.00 C ATOM 0 HA PRO A 533 6.430 1.445 -5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 533 4.484 0.387 -7.246 1.00 0.00 H new ATOM 0 HB3 PRO A 533 4.872 2.096 -7.233 1.00 0.00 H new ATOM 0 HG2 PRO A 533 5.767 -0.036 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 533 5.313 1.624 -9.475 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.915 0.845 -9.381 1.00 0.00 H new ATOM 0 HD3 PRO A 533 7.421 2.457 -8.903 1.00 0.00 H new ATOM 402 N TYR A 534 7.254 -1.423 -6.695 1.00 0.00 N ATOM 403 CA TYR A 534 7.396 -2.833 -6.402 1.00 0.00 C ATOM 404 C TYR A 534 7.866 -3.033 -4.964 1.00 0.00 C ATOM 405 O TYR A 534 7.189 -3.676 -4.162 1.00 0.00 O ATOM 406 CB TYR A 534 8.394 -3.448 -7.388 1.00 0.00 C ATOM 407 CG TYR A 534 7.976 -3.312 -8.842 1.00 0.00 C ATOM 408 CD1 TYR A 534 8.243 -2.151 -9.582 1.00 0.00 C ATOM 409 CD2 TYR A 534 7.311 -4.351 -9.480 1.00 0.00 C ATOM 410 CE1 TYR A 534 7.854 -2.048 -10.903 1.00 0.00 C ATOM 411 CE2 TYR A 534 6.921 -4.248 -10.802 1.00 0.00 C ATOM 412 CZ TYR A 534 7.195 -3.097 -11.508 1.00 0.00 C ATOM 413 OH TYR A 534 6.807 -2.993 -12.824 1.00 0.00 O ATOM 0 H TYR A 534 7.821 -1.107 -7.482 1.00 0.00 H new ATOM 0 HA TYR A 534 6.431 -3.328 -6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 534 9.366 -2.973 -7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 534 8.520 -4.505 -7.152 1.00 0.00 H new ATOM 0 HD1 TYR A 534 8.760 -1.327 -9.113 1.00 0.00 H new ATOM 0 HD2 TYR A 534 7.095 -5.257 -8.933 1.00 0.00 H new ATOM 0 HE1 TYR A 534 8.066 -1.148 -11.461 1.00 0.00 H new ATOM 0 HE2 TYR A 534 6.403 -5.067 -11.280 1.00 0.00 H new ATOM 0 HH TYR A 534 6.356 -3.819 -13.098 1.00 0.00 H new ATOM 423 N PHE A 535 9.027 -2.467 -4.642 1.00 0.00 N ATOM 424 CA PHE A 535 9.584 -2.573 -3.297 1.00 0.00 C ATOM 425 C PHE A 535 10.020 -1.207 -2.762 1.00 0.00 C ATOM 426 O PHE A 535 10.680 -1.119 -1.727 1.00 0.00 O ATOM 427 CB PHE A 535 10.770 -3.538 -3.287 1.00 0.00 C ATOM 428 CG PHE A 535 11.679 -3.391 -4.475 1.00 0.00 C ATOM 429 CD1 PHE A 535 12.359 -2.204 -4.701 1.00 0.00 C ATOM 430 CD2 PHE A 535 11.853 -4.439 -5.364 1.00 0.00 C ATOM 431 CE1 PHE A 535 13.195 -2.067 -5.794 1.00 0.00 C ATOM 432 CE2 PHE A 535 12.687 -4.307 -6.458 1.00 0.00 C ATOM 433 CZ PHE A 535 13.360 -3.120 -6.673 1.00 0.00 C ATOM 0 H PHE A 535 9.599 -1.931 -5.294 1.00 0.00 H new ATOM 0 HA PHE A 535 8.801 -2.958 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 535 11.348 -3.380 -2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 535 10.395 -4.561 -3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 535 12.234 -1.378 -4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.331 -5.370 -5.200 1.00 0.00 H new ATOM 0 HE1 PHE A 535 13.719 -1.137 -5.960 1.00 0.00 H new ATOM 0 HE2 PHE A 535 12.813 -5.131 -7.144 1.00 0.00 H new ATOM 0 HZ PHE A 535 14.014 -3.015 -7.526 1.00 0.00 H new ATOM 443 N GLY A 536 9.649 -0.145 -3.472 1.00 0.00 N ATOM 444 CA GLY A 536 10.010 1.199 -3.053 1.00 0.00 C ATOM 445 C GLY A 536 9.428 1.555 -1.704 1.00 0.00 C ATOM 446 O GLY A 536 9.911 1.088 -0.682 1.00 0.00 O ATOM 0 H GLY A 536 9.103 -0.191 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 536 11.096 1.285 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 536 9.661 1.915 -3.797 1.00 0.00 H new ATOM 450 N PRO A 537 8.344 2.343 -1.671 1.00 0.00 N ATOM 451 CA PRO A 537 7.666 2.722 -0.433 1.00 0.00 C ATOM 452 C PRO A 537 6.693 1.634 -0.020 1.00 0.00 C ATOM 453 O PRO A 537 5.639 1.896 0.556 1.00 0.00 O ATOM 454 CB PRO A 537 6.909 3.964 -0.863 1.00 0.00 C ATOM 455 CG PRO A 537 6.470 3.596 -2.231 1.00 0.00 C ATOM 456 CD PRO A 537 7.643 2.884 -2.844 1.00 0.00 C ATOM 0 HA PRO A 537 8.334 2.878 0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 537 6.065 4.176 -0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.544 4.850 -0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 537 5.590 2.953 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 537 6.200 4.480 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 537 7.326 2.095 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 537 8.275 3.564 -3.415 1.00 0.00 H new ATOM 464 N ALA A 538 7.069 0.413 -0.348 1.00 0.00 N ATOM 465 CA ALA A 538 6.282 -0.757 -0.060 1.00 0.00 C ATOM 466 C ALA A 538 7.184 -1.808 0.554 1.00 0.00 C ATOM 467 O ALA A 538 6.735 -2.690 1.284 1.00 0.00 O ATOM 468 CB ALA A 538 5.642 -1.288 -1.336 1.00 0.00 C ATOM 0 H ALA A 538 7.945 0.209 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 538 5.485 -0.504 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 538 5.049 -2.173 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 538 4.997 -0.522 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 538 6.421 -1.550 -2.052 1.00 0.00 H new ATOM 474 N ALA A 539 8.475 -1.696 0.241 1.00 0.00 N ATOM 475 CA ALA A 539 9.461 -2.631 0.753 1.00 0.00 C ATOM 476 C ALA A 539 10.838 -1.990 0.947 1.00 0.00 C ATOM 477 O ALA A 539 11.824 -2.697 1.157 1.00 0.00 O ATOM 478 CB ALA A 539 9.562 -3.838 -0.160 1.00 0.00 C ATOM 0 H ALA A 539 8.856 -0.968 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 539 9.120 -2.948 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.304 -4.532 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 539 8.594 -4.335 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.861 -3.516 -1.158 1.00 0.00 H new ATOM 484 N GLU A 540 10.913 -0.658 0.912 1.00 0.00 N ATOM 485 CA GLU A 540 12.191 0.025 1.129 1.00 0.00 C ATOM 486 C GLU A 540 12.523 -0.022 2.610 1.00 0.00 C ATOM 487 O GLU A 540 12.624 1.007 3.280 1.00 0.00 O ATOM 488 CB GLU A 540 12.134 1.477 0.666 1.00 0.00 C ATOM 489 CG GLU A 540 11.046 2.294 1.346 1.00 0.00 C ATOM 490 CD GLU A 540 10.745 3.586 0.613 1.00 0.00 C ATOM 491 OE1 GLU A 540 11.071 3.677 -0.589 1.00 0.00 O ATOM 492 OE2 GLU A 540 10.183 4.508 1.241 1.00 0.00 O ATOM 0 H GLU A 540 10.120 -0.040 0.739 1.00 0.00 H new ATOM 0 HA GLU A 540 12.960 -0.482 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 540 13.099 1.947 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 540 11.973 1.499 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 540 10.136 1.697 1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 540 11.352 2.522 2.367 1.00 0.00 H new ATOM 499 N GLY A 541 12.634 -1.232 3.122 1.00 0.00 N ATOM 500 CA GLY A 541 12.884 -1.427 4.532 1.00 0.00 C ATOM 501 C GLY A 541 11.594 -1.786 5.243 1.00 0.00 C ATOM 502 O GLY A 541 11.603 -2.302 6.360 1.00 0.00 O ATOM 0 H GLY A 541 12.555 -2.093 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 541 13.619 -2.219 4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 541 13.306 -0.520 4.964 1.00 0.00 H new ATOM 506 N ILE A 542 10.477 -1.511 4.565 1.00 0.00 N ATOM 507 CA ILE A 542 9.156 -1.794 5.084 1.00 0.00 C ATOM 508 C ILE A 542 8.974 -3.291 5.336 1.00 0.00 C ATOM 509 O ILE A 542 8.427 -3.690 6.363 1.00 0.00 O ATOM 510 CB ILE A 542 8.076 -1.270 4.101 1.00 0.00 C ATOM 511 CG1 ILE A 542 7.588 0.097 4.563 1.00 0.00 C ATOM 512 CG2 ILE A 542 6.910 -2.241 3.981 1.00 0.00 C ATOM 513 CD1 ILE A 542 7.280 1.044 3.426 1.00 0.00 C ATOM 0 H ILE A 542 10.474 -1.084 3.638 1.00 0.00 H new ATOM 0 HA ILE A 542 9.043 -1.280 6.038 1.00 0.00 H new ATOM 0 HB ILE A 542 8.526 -1.180 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 542 6.692 -0.032 5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.346 0.547 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.173 -1.841 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 542 7.272 -3.201 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 542 6.448 -2.377 4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 542 6.938 1.997 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 542 8.179 1.203 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 542 6.500 0.615 2.797 1.00 0.00 H new ATOM 525 N TYR A 543 9.435 -4.113 4.393 1.00 0.00 N ATOM 526 CA TYR A 543 9.323 -5.569 4.510 1.00 0.00 C ATOM 527 C TYR A 543 9.706 -6.048 5.909 1.00 0.00 C ATOM 528 O TYR A 543 9.213 -7.073 6.381 1.00 0.00 O ATOM 529 CB TYR A 543 10.198 -6.263 3.470 1.00 0.00 C ATOM 530 CG TYR A 543 11.664 -5.950 3.616 1.00 0.00 C ATOM 531 CD1 TYR A 543 12.155 -4.702 3.274 1.00 0.00 C ATOM 532 CD2 TYR A 543 12.551 -6.900 4.095 1.00 0.00 C ATOM 533 CE1 TYR A 543 13.498 -4.406 3.404 1.00 0.00 C ATOM 534 CE2 TYR A 543 13.896 -6.616 4.230 1.00 0.00 C ATOM 535 CZ TYR A 543 14.366 -5.365 3.881 1.00 0.00 C ATOM 536 OH TYR A 543 15.704 -5.076 4.013 1.00 0.00 O ATOM 0 H TYR A 543 9.891 -3.795 3.537 1.00 0.00 H new ATOM 0 HA TYR A 543 8.280 -5.830 4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.055 -7.341 3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.869 -5.968 2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.478 -3.948 2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.185 -7.879 4.367 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.866 -3.428 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.575 -7.367 4.606 1.00 0.00 H new ATOM 0 HH TYR A 543 16.175 -5.861 4.363 1.00 0.00 H new ATOM 546 N ALA A 544 10.574 -5.289 6.575 1.00 0.00 N ATOM 547 CA ALA A 544 11.007 -5.625 7.930 1.00 0.00 C ATOM 548 C ALA A 544 9.813 -5.783 8.866 1.00 0.00 C ATOM 549 O ALA A 544 9.933 -6.341 9.958 1.00 0.00 O ATOM 550 CB ALA A 544 11.937 -4.549 8.454 1.00 0.00 C ATOM 0 H ALA A 544 10.991 -4.438 6.199 1.00 0.00 H new ATOM 0 HA ALA A 544 11.537 -6.577 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 544 12.257 -4.805 9.464 1.00 0.00 H new ATOM 0 HB2 ALA A 544 12.810 -4.475 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 544 11.414 -3.593 8.470 1.00 0.00 H new ATOM 556 N GLU A 545 8.660 -5.297 8.421 1.00 0.00 N ATOM 557 CA GLU A 545 7.427 -5.381 9.186 1.00 0.00 C ATOM 558 C GLU A 545 7.172 -6.824 9.584 1.00 0.00 C ATOM 559 O GLU A 545 6.841 -7.127 10.731 1.00 0.00 O ATOM 560 CB GLU A 545 6.267 -4.859 8.332 1.00 0.00 C ATOM 561 CG GLU A 545 6.302 -5.349 6.890 1.00 0.00 C ATOM 562 CD GLU A 545 5.514 -6.626 6.679 1.00 0.00 C ATOM 563 OE1 GLU A 545 4.273 -6.580 6.783 1.00 0.00 O ATOM 564 OE2 GLU A 545 6.139 -7.671 6.401 1.00 0.00 O ATOM 0 H GLU A 545 8.556 -4.834 7.518 1.00 0.00 H new ATOM 0 HA GLU A 545 7.511 -4.775 10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.325 -5.164 8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 545 6.285 -3.769 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 545 5.904 -4.571 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 545 7.338 -5.515 6.593 1.00 0.00 H new ATOM 571 N GLY A 546 7.360 -7.706 8.618 1.00 0.00 N ATOM 572 CA GLY A 546 7.188 -9.123 8.844 1.00 0.00 C ATOM 573 C GLY A 546 5.866 -9.495 9.501 1.00 0.00 C ATOM 574 O GLY A 546 5.799 -10.484 10.230 1.00 0.00 O ATOM 0 H GLY A 546 7.633 -7.460 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 546 7.265 -9.644 7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 546 8.005 -9.481 9.470 1.00 0.00 H new ATOM 578 N LEU A 547 4.813 -8.722 9.246 1.00 0.00 N ATOM 579 CA LEU A 547 3.506 -9.019 9.832 1.00 0.00 C ATOM 580 C LEU A 547 2.363 -8.682 8.873 1.00 0.00 C ATOM 581 O LEU A 547 1.410 -9.451 8.744 1.00 0.00 O ATOM 582 CB LEU A 547 3.326 -8.286 11.168 1.00 0.00 C ATOM 583 CG LEU A 547 2.892 -6.822 11.074 1.00 0.00 C ATOM 584 CD1 LEU A 547 2.319 -6.352 12.400 1.00 0.00 C ATOM 585 CD2 LEU A 547 4.065 -5.955 10.660 1.00 0.00 C ATOM 0 H LEU A 547 4.836 -7.897 8.647 1.00 0.00 H new ATOM 0 HA LEU A 547 3.472 -10.092 10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 547 2.587 -8.826 11.760 1.00 0.00 H new ATOM 0 HB3 LEU A 547 4.268 -8.331 11.715 1.00 0.00 H new ATOM 0 HG LEU A 547 2.113 -6.735 10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.015 -5.309 12.316 1.00 0.00 H new ATOM 0 HD12 LEU A 547 1.454 -6.962 12.659 1.00 0.00 H new ATOM 0 HD13 LEU A 547 3.076 -6.448 13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.744 -4.915 10.596 1.00 0.00 H new ATOM 0 HD22 LEU A 547 4.862 -6.044 11.398 1.00 0.00 H new ATOM 0 HD23 LEU A 547 4.433 -6.281 9.687 1.00 0.00 H new ATOM 597 N MET A 548 2.457 -7.536 8.202 1.00 0.00 N ATOM 598 CA MET A 548 1.417 -7.118 7.257 1.00 0.00 C ATOM 599 C MET A 548 1.656 -5.700 6.727 1.00 0.00 C ATOM 600 O MET A 548 1.103 -5.318 5.695 1.00 0.00 O ATOM 601 CB MET A 548 0.036 -7.201 7.916 1.00 0.00 C ATOM 602 CG MET A 548 -0.779 -8.405 7.470 1.00 0.00 C ATOM 603 SD MET A 548 -2.363 -7.946 6.738 1.00 0.00 S ATOM 604 CE MET A 548 -1.865 -7.570 5.060 1.00 0.00 C ATOM 0 H MET A 548 3.235 -6.883 8.292 1.00 0.00 H new ATOM 0 HA MET A 548 1.459 -7.800 6.408 1.00 0.00 H new ATOM 0 HB2 MET A 548 0.161 -7.238 8.998 1.00 0.00 H new ATOM 0 HB3 MET A 548 -0.521 -6.292 7.690 1.00 0.00 H new ATOM 0 HG2 MET A 548 -0.202 -8.980 6.745 1.00 0.00 H new ATOM 0 HG3 MET A 548 -0.955 -9.056 8.326 1.00 0.00 H new ATOM 0 HE1 MET A 548 -2.738 -7.269 4.480 1.00 0.00 H new ATOM 0 HE2 MET A 548 -1.138 -6.758 5.070 1.00 0.00 H new ATOM 0 HE3 MET A 548 -1.416 -8.454 4.607 1.00 0.00 H new ATOM 614 N HIS A 549 2.473 -4.922 7.434 1.00 0.00 N ATOM 615 CA HIS A 549 2.773 -3.549 7.030 1.00 0.00 C ATOM 616 C HIS A 549 3.375 -3.478 5.620 1.00 0.00 C ATOM 617 O HIS A 549 3.483 -2.394 5.045 1.00 0.00 O ATOM 618 CB HIS A 549 3.719 -2.899 8.040 1.00 0.00 C ATOM 619 CG HIS A 549 3.036 -1.950 8.972 1.00 0.00 C ATOM 620 ND1 HIS A 549 1.665 -1.816 9.037 1.00 0.00 N ATOM 621 CD2 HIS A 549 3.539 -1.085 9.885 1.00 0.00 C ATOM 622 CE1 HIS A 549 1.356 -0.911 9.942 1.00 0.00 C ATOM 623 NE2 HIS A 549 2.473 -0.452 10.474 1.00 0.00 N ATOM 0 H HIS A 549 2.940 -5.219 8.291 1.00 0.00 H new ATOM 0 HA HIS A 549 1.830 -3.002 7.009 1.00 0.00 H new ATOM 0 HB2 HIS A 549 4.208 -3.680 8.623 1.00 0.00 H new ATOM 0 HB3 HIS A 549 4.502 -2.366 7.501 1.00 0.00 H new ATOM 0 HD2 HIS A 549 4.583 -0.924 10.108 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.357 -0.597 10.205 1.00 0.00 H new ATOM 0 HE2 HIS A 549 2.534 0.258 11.204 1.00 0.00 H new ATOM 632 N ASN A 550 3.766 -4.626 5.061 1.00 0.00 N ATOM 633 CA ASN A 550 4.350 -4.669 3.718 1.00 0.00 C ATOM 634 C ASN A 550 3.303 -4.401 2.630 1.00 0.00 C ATOM 635 O ASN A 550 3.567 -4.605 1.446 1.00 0.00 O ATOM 636 CB ASN A 550 5.013 -6.026 3.472 1.00 0.00 C ATOM 637 CG ASN A 550 5.854 -6.042 2.211 1.00 0.00 C ATOM 638 OD1 ASN A 550 5.992 -5.027 1.528 1.00 0.00 O ATOM 639 ND2 ASN A 550 6.424 -7.199 1.895 1.00 0.00 N ATOM 0 H ASN A 550 3.689 -5.536 5.516 1.00 0.00 H new ATOM 0 HA ASN A 550 5.100 -3.879 3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 550 5.640 -6.280 4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 550 4.244 -6.795 3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 550 7.003 -7.271 1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 550 6.283 -8.016 2.489 1.00 0.00 H new ATOM 646 N GLN A 551 2.118 -3.949 3.036 1.00 0.00 N ATOM 647 CA GLN A 551 1.029 -3.656 2.106 1.00 0.00 C ATOM 648 C GLN A 551 1.496 -2.805 0.924 1.00 0.00 C ATOM 649 O GLN A 551 2.672 -2.460 0.813 1.00 0.00 O ATOM 650 CB GLN A 551 -0.082 -2.914 2.844 1.00 0.00 C ATOM 651 CG GLN A 551 0.367 -1.567 3.384 1.00 0.00 C ATOM 652 CD GLN A 551 -0.146 -0.406 2.554 1.00 0.00 C ATOM 653 OE1 GLN A 551 -1.289 -0.412 2.097 1.00 0.00 O ATOM 654 NE2 GLN A 551 0.699 0.598 2.354 1.00 0.00 N ATOM 0 H GLN A 551 1.886 -3.776 4.014 1.00 0.00 H new ATOM 0 HA GLN A 551 0.665 -4.606 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -0.925 -2.767 2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -0.438 -3.531 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 551 0.018 -1.457 4.411 1.00 0.00 H new ATOM 0 HG3 GLN A 551 1.456 -1.536 3.412 1.00 0.00 H new ATOM 0 HE21 GLN A 551 1.638 0.562 2.752 1.00 0.00 H new ATOM 0 HE22 GLN A 551 0.410 1.406 1.803 1.00 0.00 H new ATOM 663 N ASP A 552 0.551 -2.462 0.050 1.00 0.00 N ATOM 664 CA ASP A 552 0.846 -1.643 -1.122 1.00 0.00 C ATOM 665 C ASP A 552 -0.344 -0.755 -1.488 1.00 0.00 C ATOM 666 O ASP A 552 -0.430 -0.252 -2.609 1.00 0.00 O ATOM 667 CB ASP A 552 1.216 -2.531 -2.311 1.00 0.00 C ATOM 668 CG ASP A 552 2.637 -3.051 -2.224 1.00 0.00 C ATOM 669 OD1 ASP A 552 2.862 -4.046 -1.504 1.00 0.00 O ATOM 670 OD2 ASP A 552 3.526 -2.463 -2.876 1.00 0.00 O ATOM 0 H ASP A 552 -0.427 -2.740 0.133 1.00 0.00 H new ATOM 0 HA ASP A 552 1.692 -1.000 -0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.526 -3.373 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.095 -1.965 -3.235 1.00 0.00 H new ATOM 675 N GLY A 553 -1.256 -0.558 -0.537 1.00 0.00 N ATOM 676 CA GLY A 553 -2.419 0.277 -0.786 1.00 0.00 C ATOM 677 C GLY A 553 -3.243 -0.197 -1.968 1.00 0.00 C ATOM 678 O GLY A 553 -3.667 0.610 -2.797 1.00 0.00 O ATOM 0 H GLY A 553 -1.210 -0.961 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -3.046 0.293 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -2.093 1.302 -0.964 1.00 0.00 H new ATOM 682 N LEU A 554 -3.463 -1.506 -2.056 1.00 0.00 N ATOM 683 CA LEU A 554 -4.234 -2.083 -3.158 1.00 0.00 C ATOM 684 C LEU A 554 -5.519 -1.299 -3.431 1.00 0.00 C ATOM 685 O LEU A 554 -5.593 -0.541 -4.398 1.00 0.00 O ATOM 686 CB LEU A 554 -4.565 -3.558 -2.892 1.00 0.00 C ATOM 687 CG LEU A 554 -4.712 -3.952 -1.420 1.00 0.00 C ATOM 688 CD1 LEU A 554 -6.079 -4.567 -1.162 1.00 0.00 C ATOM 689 CD2 LEU A 554 -3.608 -4.916 -1.010 1.00 0.00 C ATOM 0 H LEU A 554 -3.120 -2.188 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 554 -3.606 -2.019 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -5.494 -3.801 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -3.782 -4.173 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 554 -4.623 -3.049 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.163 -4.840 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.856 -3.845 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.199 -5.458 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -3.730 -5.184 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -3.664 -5.815 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -2.638 -4.440 -1.152 1.00 0.00 H new ATOM 701 N ILE A 555 -6.528 -1.484 -2.583 1.00 0.00 N ATOM 702 CA ILE A 555 -7.803 -0.794 -2.750 1.00 0.00 C ATOM 703 C ILE A 555 -8.453 -1.173 -4.079 1.00 0.00 C ATOM 704 O ILE A 555 -7.857 -1.014 -5.145 1.00 0.00 O ATOM 705 CB ILE A 555 -7.624 0.741 -2.676 1.00 0.00 C ATOM 706 CG1 ILE A 555 -7.390 1.184 -1.229 1.00 0.00 C ATOM 707 CG2 ILE A 555 -8.836 1.461 -3.255 1.00 0.00 C ATOM 708 CD1 ILE A 555 -6.356 0.366 -0.491 1.00 0.00 C ATOM 0 H ILE A 555 -6.487 -2.105 -1.775 1.00 0.00 H new ATOM 0 HA ILE A 555 -8.453 -1.107 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 555 -6.751 1.006 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -7.080 2.229 -1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -8.334 1.130 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -8.684 2.538 -3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.965 1.174 -4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.727 1.186 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.251 0.745 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.672 -0.677 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -5.398 0.439 -1.007 1.00 0.00 H new ATOM 720 N CYS A 556 -9.680 -1.672 -4.007 1.00 0.00 N ATOM 721 CA CYS A 556 -10.415 -2.074 -5.202 1.00 0.00 C ATOM 722 C CYS A 556 -10.932 -0.856 -5.959 1.00 0.00 C ATOM 723 O CYS A 556 -11.037 -0.873 -7.185 1.00 0.00 O ATOM 724 CB CYS A 556 -11.583 -2.987 -4.825 1.00 0.00 C ATOM 725 SG CYS A 556 -11.115 -4.392 -3.763 1.00 0.00 S ATOM 0 H CYS A 556 -10.189 -1.809 -3.134 1.00 0.00 H new ATOM 0 HA CYS A 556 -9.731 -2.620 -5.852 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.342 -2.396 -4.313 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.039 -3.371 -5.737 1.00 0.00 H new ATOM 730 N GLY A 557 -11.261 0.199 -5.221 1.00 0.00 N ATOM 731 CA GLY A 557 -11.772 1.405 -5.842 1.00 0.00 C ATOM 732 C GLY A 557 -13.272 1.513 -5.707 1.00 0.00 C ATOM 733 O GLY A 557 -13.828 2.610 -5.683 1.00 0.00 O ATOM 0 H GLY A 557 -11.183 0.240 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.302 2.276 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.501 1.413 -6.898 1.00 0.00 H new ATOM 737 N LEU A 558 -13.924 0.362 -5.629 1.00 0.00 N ATOM 738 CA LEU A 558 -15.367 0.307 -5.504 1.00 0.00 C ATOM 739 C LEU A 558 -15.835 -1.128 -5.313 1.00 0.00 C ATOM 740 O LEU A 558 -16.750 -1.397 -4.536 1.00 0.00 O ATOM 741 CB LEU A 558 -16.009 0.904 -6.755 1.00 0.00 C ATOM 742 CG LEU A 558 -15.749 0.132 -8.057 1.00 0.00 C ATOM 743 CD1 LEU A 558 -16.861 0.392 -9.061 1.00 0.00 C ATOM 744 CD2 LEU A 558 -14.397 0.512 -8.646 1.00 0.00 C ATOM 0 H LEU A 558 -13.469 -0.551 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 558 -15.667 0.884 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -17.086 0.965 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -15.646 1.924 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 558 -15.734 -0.933 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -16.661 -0.163 -9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -17.813 0.068 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -16.907 1.458 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -14.232 -0.046 -9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -14.381 1.581 -8.861 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -13.609 0.274 -7.932 1.00 0.00 H new ATOM 756 N ARG A 559 -15.192 -2.037 -6.048 1.00 0.00 N ATOM 757 CA ARG A 559 -15.497 -3.468 -6.022 1.00 0.00 C ATOM 758 C ARG A 559 -15.268 -4.047 -7.406 1.00 0.00 C ATOM 759 O ARG A 559 -15.628 -3.431 -8.409 1.00 0.00 O ATOM 760 CB ARG A 559 -16.943 -3.750 -5.603 1.00 0.00 C ATOM 761 CG ARG A 559 -17.970 -2.969 -6.401 1.00 0.00 C ATOM 762 CD ARG A 559 -19.092 -2.449 -5.516 1.00 0.00 C ATOM 763 NE ARG A 559 -20.388 -2.503 -6.188 1.00 0.00 N ATOM 764 CZ ARG A 559 -21.501 -1.968 -5.693 1.00 0.00 C ATOM 765 NH1 ARG A 559 -21.483 -1.341 -4.524 1.00 0.00 N ATOM 766 NH2 ARG A 559 -22.638 -2.062 -6.370 1.00 0.00 N ATOM 0 H ARG A 559 -14.434 -1.796 -6.687 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.840 -3.931 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -17.143 -4.816 -5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -17.059 -3.512 -4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.483 -2.132 -6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.387 -3.607 -7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.134 -3.038 -4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.877 -1.421 -5.225 1.00 0.00 H new ATOM 0 HE ARG A 559 -20.443 -2.978 -7.089 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -20.612 -1.267 -3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -22.340 -0.933 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -22.658 -2.544 -7.269 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -23.492 -1.652 -5.992 1.00 0.00 H new ATOM 780 N GLN A 560 -14.670 -5.223 -7.466 1.00 0.00 N ATOM 781 CA GLN A 560 -14.406 -5.856 -8.742 1.00 0.00 C ATOM 782 C GLN A 560 -14.321 -7.372 -8.599 1.00 0.00 C ATOM 783 O GLN A 560 -14.400 -8.069 -9.631 1.00 0.00 O ATOM 784 CB GLN A 560 -13.110 -5.309 -9.340 1.00 0.00 C ATOM 785 CG GLN A 560 -12.984 -5.559 -10.831 1.00 0.00 C ATOM 786 CD GLN A 560 -11.578 -5.321 -11.346 1.00 0.00 C ATOM 787 OE1 GLN A 560 -11.369 -4.551 -12.283 1.00 0.00 O ATOM 788 NE2 GLN A 560 -10.604 -5.984 -10.733 1.00 0.00 N ATOM 789 OXT GLN A 560 -14.177 -7.850 -7.453 1.00 0.00 O ATOM 0 H GLN A 560 -14.361 -5.754 -6.652 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.235 -5.627 -9.412 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.056 -4.237 -9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -12.262 -5.765 -8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.278 -6.586 -11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.677 -4.909 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -10.823 -6.613 -9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -9.637 -5.865 -11.035 1.00 0.00 H new TER 798 GLN A 560