USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=7 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 Single : A 508 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 510 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0111) USER MOD Single : A 512 ASN : amide:sc= -0.0619 K(o=-0.062,f=-0.71) USER MOD Single : A 514 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.23) USER MOD Single : A 516 HIS : no HD1:sc= -0.652 K(o=-0.65,f=-1.7) USER MOD Single : A 517 TYR OH : rot 158:sc= -0.0173! 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= -0.0861 X(o=-0.086,f=-0.4) 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 -121:sc= -0.911 (180deg=-3.8!) USER MOD Single : A 549 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-4.1!) USER MOD Single : A 550 ASN : amide:sc= -2.73 K(o=-2.7,f=-5.6!) USER MOD Single : A 551 GLN : amide:sc= -3.12 K(o=-3.1,f=-3.8!) USER MOD Single : A 560 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.93!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -17.289 6.236 0.277 1.00 0.00 N ATOM 2 CA ALA A 507 -17.913 4.971 -0.192 1.00 0.00 C ATOM 3 C ALA A 507 -16.851 3.952 -0.591 1.00 0.00 C ATOM 4 O ALA A 507 -16.206 4.086 -1.629 1.00 0.00 O ATOM 5 CB ALA A 507 -18.845 5.246 -1.363 1.00 0.00 C ATOM 0 HA ALA A 507 -18.492 4.553 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -19.295 4.311 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -19.629 5.935 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -18.279 5.689 -2.182 1.00 0.00 H new ATOM 13 N GLN A 508 -16.675 2.931 0.243 1.00 0.00 N ATOM 14 CA GLN A 508 -15.691 1.889 -0.024 1.00 0.00 C ATOM 15 C GLN A 508 -16.296 0.501 0.182 1.00 0.00 C ATOM 16 O GLN A 508 -17.118 0.302 1.077 1.00 0.00 O ATOM 17 CB GLN A 508 -14.471 2.066 0.883 1.00 0.00 C ATOM 18 CG GLN A 508 -14.820 2.170 2.358 1.00 0.00 C ATOM 19 CD GLN A 508 -13.931 3.150 3.100 1.00 0.00 C ATOM 20 OE1 GLN A 508 -12.707 3.109 2.980 1.00 0.00 O ATOM 21 NE2 GLN A 508 -14.545 4.039 3.872 1.00 0.00 N ATOM 0 H GLN A 508 -17.201 2.804 1.108 1.00 0.00 H new ATOM 0 HA GLN A 508 -15.378 1.978 -1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -13.795 1.224 0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -13.932 2.964 0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -15.860 2.479 2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -14.733 1.186 2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -15.563 4.037 3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -13.999 4.724 4.395 1.00 0.00 H new ATOM 30 N PRO A 509 -15.896 -0.482 -0.644 1.00 0.00 N ATOM 31 CA PRO A 509 -16.388 -1.844 -0.558 1.00 0.00 C ATOM 32 C PRO A 509 -15.443 -2.745 0.226 1.00 0.00 C ATOM 33 O PRO A 509 -15.404 -3.957 0.012 1.00 0.00 O ATOM 34 CB PRO A 509 -16.418 -2.252 -2.027 1.00 0.00 C ATOM 35 CG PRO A 509 -15.271 -1.515 -2.654 1.00 0.00 C ATOM 36 CD PRO A 509 -14.924 -0.357 -1.738 1.00 0.00 C ATOM 0 HA PRO A 509 -17.344 -1.925 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -16.304 -3.330 -2.140 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -17.365 -1.980 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -14.413 -2.175 -2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -15.543 -1.153 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -13.899 -0.426 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -15.016 0.601 -2.250 1.00 0.00 H new ATOM 44 N LYS A 510 -14.679 -2.142 1.129 1.00 0.00 N ATOM 45 CA LYS A 510 -13.728 -2.885 1.941 1.00 0.00 C ATOM 46 C LYS A 510 -12.688 -3.571 1.061 1.00 0.00 C ATOM 47 O LYS A 510 -12.475 -4.780 1.156 1.00 0.00 O ATOM 48 CB LYS A 510 -14.462 -3.919 2.789 1.00 0.00 C ATOM 49 CG LYS A 510 -15.261 -3.312 3.929 1.00 0.00 C ATOM 50 CD LYS A 510 -15.457 -4.305 5.063 1.00 0.00 C ATOM 51 CE LYS A 510 -16.417 -5.417 4.670 1.00 0.00 C ATOM 52 NZ LYS A 510 -17.833 -4.956 4.679 1.00 0.00 N ATOM 0 H LYS A 510 -14.701 -1.140 1.316 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.213 -2.185 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -15.134 -4.491 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -13.737 -4.622 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -14.747 -2.427 4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -16.233 -2.984 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -14.495 -4.735 5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -15.840 -3.785 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -16.161 -5.784 3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -16.303 -6.255 5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -18.461 -5.759 4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -18.065 -4.567 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -17.963 -4.220 3.956 1.00 0.00 H new ATOM 66 N CYS A 511 -12.046 -2.789 0.199 1.00 0.00 N ATOM 67 CA CYS A 511 -11.031 -3.315 -0.706 1.00 0.00 C ATOM 68 C CYS A 511 -9.666 -2.712 -0.397 1.00 0.00 C ATOM 69 O CYS A 511 -8.853 -2.496 -1.296 1.00 0.00 O ATOM 70 CB CYS A 511 -11.419 -3.018 -2.154 1.00 0.00 C ATOM 71 SG CYS A 511 -10.372 -3.847 -3.393 1.00 0.00 S ATOM 0 H CYS A 511 -12.211 -1.787 0.108 1.00 0.00 H new ATOM 0 HA CYS A 511 -10.969 -4.394 -0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.455 -3.319 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.372 -1.941 -2.317 1.00 0.00 H new ATOM 76 N ASN A 512 -9.420 -2.440 0.880 1.00 0.00 N ATOM 77 CA ASN A 512 -8.153 -1.861 1.307 1.00 0.00 C ATOM 78 C ASN A 512 -7.375 -2.839 2.179 1.00 0.00 C ATOM 79 O ASN A 512 -7.960 -3.543 3.003 1.00 0.00 O ATOM 80 CB ASN A 512 -8.400 -0.563 2.078 1.00 0.00 C ATOM 81 CG ASN A 512 -9.258 -0.774 3.310 1.00 0.00 C ATOM 82 OD1 ASN A 512 -8.778 -1.249 4.339 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.535 -0.423 3.209 1.00 0.00 N ATOM 0 H ASN A 512 -10.082 -2.611 1.637 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.562 -1.644 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -7.443 -0.133 2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.884 0.159 1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -11.161 -0.543 4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -10.889 -0.033 2.336 1.00 0.00 H new ATOM 90 N PRO A 513 -6.042 -2.910 2.010 1.00 0.00 N ATOM 91 CA PRO A 513 -5.206 -3.816 2.783 1.00 0.00 C ATOM 92 C PRO A 513 -4.737 -3.204 4.106 1.00 0.00 C ATOM 93 O PRO A 513 -5.408 -2.346 4.680 1.00 0.00 O ATOM 94 CB PRO A 513 -4.034 -4.045 1.832 1.00 0.00 C ATOM 95 CG PRO A 513 -3.856 -2.727 1.167 1.00 0.00 C ATOM 96 CD PRO A 513 -5.237 -2.128 1.048 1.00 0.00 C ATOM 0 HA PRO A 513 -5.726 -4.725 3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -3.135 -4.347 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -4.252 -4.832 1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -3.200 -2.081 1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -3.396 -2.845 0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -5.236 -1.067 1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -5.626 -2.218 0.034 1.00 0.00 H new ATOM 104 N ASN A 514 -3.583 -3.661 4.579 1.00 0.00 N ATOM 105 CA ASN A 514 -2.999 -3.184 5.830 1.00 0.00 C ATOM 106 C ASN A 514 -2.910 -1.667 5.872 1.00 0.00 C ATOM 107 O ASN A 514 -3.645 -1.008 6.606 1.00 0.00 O ATOM 108 CB ASN A 514 -1.596 -3.758 5.989 1.00 0.00 C ATOM 109 CG ASN A 514 -1.571 -5.019 6.830 1.00 0.00 C ATOM 110 OD1 ASN A 514 -1.769 -4.974 8.044 1.00 0.00 O ATOM 111 ND2 ASN A 514 -1.324 -6.155 6.186 1.00 0.00 N ATOM 0 H ASN A 514 -3.025 -4.373 4.107 1.00 0.00 H new ATOM 0 HA ASN A 514 -3.648 -3.514 6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -1.183 -3.975 5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -0.951 -3.008 6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -1.293 -7.036 6.699 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -1.166 -6.146 5.178 1.00 0.00 H new ATOM 118 N LEU A 515 -1.980 -1.133 5.082 1.00 0.00 N ATOM 119 CA LEU A 515 -1.739 0.302 4.998 1.00 0.00 C ATOM 120 C LEU A 515 -1.889 0.974 6.360 1.00 0.00 C ATOM 121 O LEU A 515 -2.577 1.983 6.502 1.00 0.00 O ATOM 122 CB LEU A 515 -2.685 0.916 3.971 1.00 0.00 C ATOM 123 CG LEU A 515 -4.166 0.909 4.357 1.00 0.00 C ATOM 124 CD1 LEU A 515 -4.616 2.289 4.814 1.00 0.00 C ATOM 125 CD2 LEU A 515 -5.017 0.430 3.191 1.00 0.00 C ATOM 0 H LEU A 515 -1.371 -1.688 4.481 1.00 0.00 H new ATOM 0 HA LEU A 515 -0.711 0.467 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -2.379 1.946 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.570 0.379 3.029 1.00 0.00 H new ATOM 0 HG LEU A 515 -4.296 0.218 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.672 2.257 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -4.030 2.594 5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.469 3.006 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -6.067 0.431 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.876 1.096 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.718 -0.581 2.914 1.00 0.00 H new ATOM 137 N HIS A 516 -1.242 0.390 7.365 1.00 0.00 N ATOM 138 CA HIS A 516 -1.307 0.913 8.723 1.00 0.00 C ATOM 139 C HIS A 516 -0.022 1.638 9.126 1.00 0.00 C ATOM 140 O HIS A 516 0.033 2.248 10.195 1.00 0.00 O ATOM 141 CB HIS A 516 -1.587 -0.222 9.708 1.00 0.00 C ATOM 142 CG HIS A 516 -2.989 -0.742 9.635 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.037 -0.008 9.119 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.516 -1.929 10.017 1.00 0.00 C ATOM 145 CE1 HIS A 516 -5.146 -0.722 9.187 1.00 0.00 C ATOM 146 NE2 HIS A 516 -4.857 -1.891 9.726 1.00 0.00 N ATOM 0 H HIS A 516 -0.667 -0.446 7.263 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.119 1.639 8.751 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -0.894 -1.040 9.514 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -1.390 0.129 10.721 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.981 -2.752 10.467 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -6.124 -0.403 8.857 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -5.522 -2.645 9.899 1.00 0.00 H new ATOM 155 N TYR A 517 1.013 1.578 8.287 1.00 0.00 N ATOM 156 CA TYR A 517 2.270 2.246 8.612 1.00 0.00 C ATOM 157 C TYR A 517 2.276 3.681 8.091 1.00 0.00 C ATOM 158 O TYR A 517 2.973 4.542 8.628 1.00 0.00 O ATOM 159 CB TYR A 517 3.472 1.451 8.066 1.00 0.00 C ATOM 160 CG TYR A 517 3.831 1.741 6.620 1.00 0.00 C ATOM 161 CD1 TYR A 517 4.251 3.006 6.225 1.00 0.00 C ATOM 162 CD2 TYR A 517 3.747 0.748 5.651 1.00 0.00 C ATOM 163 CE1 TYR A 517 4.574 3.275 4.913 1.00 0.00 C ATOM 164 CE2 TYR A 517 4.071 1.009 4.335 1.00 0.00 C ATOM 165 CZ TYR A 517 4.483 2.274 3.970 1.00 0.00 C ATOM 166 OH TYR A 517 4.810 2.535 2.659 1.00 0.00 O ATOM 0 H TYR A 517 1.006 1.084 7.395 1.00 0.00 H new ATOM 0 HA TYR A 517 2.361 2.286 9.697 1.00 0.00 H new ATOM 0 HB2 TYR A 517 4.341 1.662 8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 517 3.259 0.387 8.165 1.00 0.00 H new ATOM 0 HD1 TYR A 517 4.326 3.793 6.961 1.00 0.00 H new ATOM 0 HD2 TYR A 517 3.423 -0.243 5.932 1.00 0.00 H new ATOM 0 HE1 TYR A 517 4.897 4.265 4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 517 4.002 0.226 3.594 1.00 0.00 H new ATOM 0 HH TYR A 517 5.033 1.696 2.204 1.00 0.00 H new ATOM 176 N TRP A 518 1.493 3.933 7.046 1.00 0.00 N ATOM 177 CA TRP A 518 1.408 5.256 6.458 1.00 0.00 C ATOM 178 C TRP A 518 0.032 5.853 6.696 1.00 0.00 C ATOM 179 O TRP A 518 -0.985 5.245 6.363 1.00 0.00 O ATOM 180 CB TRP A 518 1.691 5.200 4.959 1.00 0.00 C ATOM 181 CG TRP A 518 2.179 6.501 4.398 1.00 0.00 C ATOM 182 CD1 TRP A 518 1.484 7.359 3.594 1.00 0.00 C ATOM 183 CD2 TRP A 518 3.468 7.092 4.598 1.00 0.00 C ATOM 184 NE1 TRP A 518 2.263 8.447 3.283 1.00 0.00 N ATOM 185 CE2 TRP A 518 3.485 8.307 3.886 1.00 0.00 C ATOM 186 CE3 TRP A 518 4.609 6.712 5.310 1.00 0.00 C ATOM 187 CZ2 TRP A 518 4.598 9.143 3.867 1.00 0.00 C ATOM 188 CZ3 TRP A 518 5.714 7.543 5.290 1.00 0.00 C ATOM 189 CH2 TRP A 518 5.701 8.747 4.574 1.00 0.00 C ATOM 0 H TRP A 518 0.908 3.232 6.591 1.00 0.00 H new ATOM 0 HA TRP A 518 2.159 5.886 6.934 1.00 0.00 H new ATOM 0 HB2 TRP A 518 2.435 4.427 4.766 1.00 0.00 H new ATOM 0 HB3 TRP A 518 0.782 4.905 4.436 1.00 0.00 H new ATOM 0 HD1 TRP A 518 0.471 7.205 3.253 1.00 0.00 H new ATOM 0 HE1 TRP A 518 1.978 9.232 2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 518 4.627 5.786 5.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 4.591 10.071 3.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 6.602 7.259 5.835 1.00 0.00 H new ATOM 0 HH2 TRP A 518 6.579 9.376 4.580 1.00 0.00 H new ATOM 200 N THR A 519 0.024 7.046 7.273 1.00 0.00 N ATOM 201 CA THR A 519 -1.203 7.786 7.580 1.00 0.00 C ATOM 202 C THR A 519 -2.414 7.279 6.791 1.00 0.00 C ATOM 203 O THR A 519 -3.431 6.907 7.376 1.00 0.00 O ATOM 204 CB THR A 519 -0.981 9.268 7.291 1.00 0.00 C ATOM 205 OG1 THR A 519 -2.212 9.971 7.279 1.00 0.00 O ATOM 206 CG2 THR A 519 -0.293 9.517 5.965 1.00 0.00 C ATOM 0 H THR A 519 0.875 7.537 7.546 1.00 0.00 H new ATOM 0 HA THR A 519 -1.425 7.630 8.636 1.00 0.00 H new ATOM 0 HB THR A 519 -0.335 9.627 8.093 1.00 0.00 H new ATOM 0 HG1 THR A 519 -2.046 10.919 7.093 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.164 10.589 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 519 0.682 9.031 5.964 1.00 0.00 H new ATOM 0 HG23 THR A 519 -0.902 9.111 5.157 1.00 0.00 H new ATOM 214 N THR A 520 -2.297 7.267 5.465 1.00 0.00 N ATOM 215 CA THR A 520 -3.384 6.803 4.607 1.00 0.00 C ATOM 216 C THR A 520 -2.982 6.846 3.136 1.00 0.00 C ATOM 217 O THR A 520 -3.264 5.919 2.376 1.00 0.00 O ATOM 218 CB THR A 520 -4.640 7.657 4.826 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.801 6.952 4.426 1.00 0.00 O ATOM 220 CG2 THR A 520 -4.620 8.972 4.071 1.00 0.00 C ATOM 0 H THR A 520 -1.463 7.572 4.963 1.00 0.00 H new ATOM 0 HA THR A 520 -3.601 5.769 4.875 1.00 0.00 H new ATOM 0 HB THR A 520 -4.654 7.874 5.894 1.00 0.00 H new ATOM 0 HG1 THR A 520 -6.591 7.512 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 520 -5.539 9.522 4.274 1.00 0.00 H new ATOM 0 HG22 THR A 520 -3.764 9.564 4.394 1.00 0.00 H new ATOM 0 HG23 THR A 520 -4.543 8.776 3.001 1.00 0.00 H new ATOM 228 N GLN A 521 -2.335 7.941 2.739 1.00 0.00 N ATOM 229 CA GLN A 521 -1.903 8.131 1.357 1.00 0.00 C ATOM 230 C GLN A 521 -1.315 6.854 0.768 1.00 0.00 C ATOM 231 O GLN A 521 -0.812 5.996 1.492 1.00 0.00 O ATOM 232 CB GLN A 521 -0.869 9.252 1.272 1.00 0.00 C ATOM 233 CG GLN A 521 -1.121 10.223 0.130 1.00 0.00 C ATOM 234 CD GLN A 521 -1.328 11.648 0.608 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.659 12.108 1.533 1.00 0.00 O ATOM 236 NE2 GLN A 521 -2.260 12.353 -0.022 1.00 0.00 N ATOM 0 H GLN A 521 -2.098 8.714 3.360 1.00 0.00 H new ATOM 0 HA GLN A 521 -2.786 8.400 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -0.864 9.803 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.122 8.814 1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -0.277 10.194 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -2.000 9.900 -0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -2.791 11.931 -0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -2.445 13.317 0.256 1.00 0.00 H new ATOM 245 N ASP A 522 -1.388 6.746 -0.553 1.00 0.00 N ATOM 246 CA ASP A 522 -0.868 5.586 -1.262 1.00 0.00 C ATOM 247 C ASP A 522 0.580 5.300 -0.872 1.00 0.00 C ATOM 248 O ASP A 522 1.513 5.796 -1.503 1.00 0.00 O ATOM 249 CB ASP A 522 -0.968 5.806 -2.772 1.00 0.00 C ATOM 250 CG ASP A 522 -2.390 5.673 -3.285 1.00 0.00 C ATOM 251 OD1 ASP A 522 -3.106 4.763 -2.817 1.00 0.00 O ATOM 252 OD2 ASP A 522 -2.785 6.478 -4.153 1.00 0.00 O ATOM 0 H ASP A 522 -1.806 7.454 -1.157 1.00 0.00 H new ATOM 0 HA ASP A 522 -1.471 4.722 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.588 6.798 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -0.331 5.085 -3.284 1.00 0.00 H new ATOM 257 N GLU A 523 0.756 4.492 0.168 1.00 0.00 N ATOM 258 CA GLU A 523 2.086 4.131 0.641 1.00 0.00 C ATOM 259 C GLU A 523 2.559 2.856 -0.039 1.00 0.00 C ATOM 260 O GLU A 523 2.864 1.855 0.610 1.00 0.00 O ATOM 261 CB GLU A 523 2.077 3.959 2.155 1.00 0.00 C ATOM 262 CG GLU A 523 1.207 2.812 2.652 1.00 0.00 C ATOM 263 CD GLU A 523 -0.221 3.238 2.932 1.00 0.00 C ATOM 264 OE1 GLU A 523 -0.942 3.567 1.967 1.00 0.00 O ATOM 265 OE2 GLU A 523 -0.618 3.243 4.117 1.00 0.00 O ATOM 0 H GLU A 523 -0.008 4.074 0.700 1.00 0.00 H new ATOM 0 HA GLU A 523 2.779 4.933 0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 523 3.100 3.798 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 523 1.731 4.886 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 523 1.205 2.015 1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 523 1.643 2.398 3.561 1.00 0.00 H new ATOM 272 N GLY A 524 2.590 2.905 -1.358 1.00 0.00 N ATOM 273 CA GLY A 524 2.987 1.758 -2.145 1.00 0.00 C ATOM 274 C GLY A 524 1.790 1.141 -2.835 1.00 0.00 C ATOM 275 O GLY A 524 1.856 0.020 -3.337 1.00 0.00 O ATOM 0 H GLY A 524 2.344 3.730 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 524 3.726 2.059 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 524 3.464 1.018 -1.503 1.00 0.00 H new ATOM 279 N ALA A 525 0.685 1.886 -2.837 1.00 0.00 N ATOM 280 CA ALA A 525 -0.562 1.441 -3.444 1.00 0.00 C ATOM 281 C ALA A 525 -0.450 1.321 -4.965 1.00 0.00 C ATOM 282 O ALA A 525 -1.213 1.945 -5.704 1.00 0.00 O ATOM 283 CB ALA A 525 -1.684 2.401 -3.072 1.00 0.00 C ATOM 0 H ALA A 525 0.633 2.814 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 525 -0.785 0.447 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -2.616 2.066 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.798 2.425 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -1.443 3.401 -3.434 1.00 0.00 H new ATOM 289 N ALA A 526 0.495 0.511 -5.427 1.00 0.00 N ATOM 290 CA ALA A 526 0.701 0.301 -6.854 1.00 0.00 C ATOM 291 C ALA A 526 0.947 1.612 -7.579 1.00 0.00 C ATOM 292 O ALA A 526 0.024 2.235 -8.103 1.00 0.00 O ATOM 293 CB ALA A 526 -0.484 -0.431 -7.461 1.00 0.00 C ATOM 0 H ALA A 526 1.134 -0.014 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 526 1.592 -0.316 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -0.313 -0.579 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -0.602 -1.399 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -1.389 0.160 -7.317 1.00 0.00 H new ATOM 299 N ILE A 527 2.202 2.023 -7.589 1.00 0.00 N ATOM 300 CA ILE A 527 2.604 3.254 -8.224 1.00 0.00 C ATOM 301 C ILE A 527 4.121 3.393 -8.189 1.00 0.00 C ATOM 302 O ILE A 527 4.758 3.628 -9.216 1.00 0.00 O ATOM 303 CB ILE A 527 1.948 4.443 -7.521 1.00 0.00 C ATOM 304 CG1 ILE A 527 2.426 5.771 -8.114 1.00 0.00 C ATOM 305 CG2 ILE A 527 2.225 4.375 -6.035 1.00 0.00 C ATOM 306 CD1 ILE A 527 1.507 6.934 -7.810 1.00 0.00 C ATOM 0 H ILE A 527 2.968 1.508 -7.155 1.00 0.00 H new ATOM 0 HA ILE A 527 2.280 3.237 -9.264 1.00 0.00 H new ATOM 0 HB ILE A 527 0.871 4.391 -7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 527 3.421 5.994 -7.729 1.00 0.00 H new ATOM 0 HG13 ILE A 527 2.519 5.665 -9.195 1.00 0.00 H new ATOM 0 HG21 ILE A 527 1.756 5.224 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 527 1.818 3.448 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.301 4.404 -5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 527 1.908 7.842 -8.261 1.00 0.00 H new ATOM 0 HD12 ILE A 527 0.517 6.732 -8.219 1.00 0.00 H new ATOM 0 HD13 ILE A 527 1.433 7.067 -6.731 1.00 0.00 H new ATOM 318 N GLY A 528 4.692 3.224 -7.000 1.00 0.00 N ATOM 319 CA GLY A 528 6.134 3.311 -6.835 1.00 0.00 C ATOM 320 C GLY A 528 6.726 4.670 -7.196 1.00 0.00 C ATOM 321 O GLY A 528 7.846 4.980 -6.790 1.00 0.00 O ATOM 0 H GLY A 528 4.178 3.027 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 528 6.384 3.082 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 528 6.605 2.547 -7.453 1.00 0.00 H new ATOM 325 N ALA A 529 5.988 5.482 -7.957 1.00 0.00 N ATOM 326 CA ALA A 529 6.464 6.804 -8.362 1.00 0.00 C ATOM 327 C ALA A 529 7.918 6.754 -8.829 1.00 0.00 C ATOM 328 O ALA A 529 8.670 7.712 -8.648 1.00 0.00 O ATOM 329 CB ALA A 529 6.306 7.787 -7.212 1.00 0.00 C ATOM 0 H ALA A 529 5.059 5.246 -8.304 1.00 0.00 H new ATOM 0 HA ALA A 529 5.859 7.140 -9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 529 6.663 8.769 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 529 5.255 7.854 -6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 529 6.887 7.443 -6.357 1.00 0.00 H new ATOM 335 N ALA A 530 8.305 5.624 -9.425 1.00 0.00 N ATOM 336 CA ALA A 530 9.665 5.426 -9.915 1.00 0.00 C ATOM 337 C ALA A 530 9.895 3.951 -10.201 1.00 0.00 C ATOM 338 O ALA A 530 10.853 3.359 -9.705 1.00 0.00 O ATOM 339 CB ALA A 530 10.688 5.927 -8.899 1.00 0.00 C ATOM 0 H ALA A 530 7.687 4.827 -9.579 1.00 0.00 H new ATOM 0 HA ALA A 530 9.790 5.998 -10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 530 11.694 5.768 -9.287 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.532 6.991 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 530 10.570 5.380 -7.964 1.00 0.00 H new ATOM 345 N TRP A 531 8.988 3.359 -10.984 1.00 0.00 N ATOM 346 CA TRP A 531 9.051 1.937 -11.329 1.00 0.00 C ATOM 347 C TRP A 531 9.731 1.154 -10.238 1.00 0.00 C ATOM 348 O TRP A 531 10.605 0.321 -10.483 1.00 0.00 O ATOM 349 CB TRP A 531 9.767 1.712 -12.653 1.00 0.00 C ATOM 350 CG TRP A 531 10.889 2.669 -12.912 1.00 0.00 C ATOM 351 CD1 TRP A 531 11.945 2.927 -12.091 1.00 0.00 C ATOM 352 CD2 TRP A 531 11.073 3.487 -14.073 1.00 0.00 C ATOM 353 NE1 TRP A 531 12.773 3.861 -12.663 1.00 0.00 N ATOM 354 CE2 TRP A 531 12.260 4.220 -13.883 1.00 0.00 C ATOM 355 CE3 TRP A 531 10.349 3.672 -15.254 1.00 0.00 C ATOM 356 CZ2 TRP A 531 12.738 5.122 -14.829 1.00 0.00 C ATOM 357 CZ3 TRP A 531 10.825 4.569 -16.193 1.00 0.00 C ATOM 358 CH2 TRP A 531 12.010 5.283 -15.977 1.00 0.00 C ATOM 0 H TRP A 531 8.194 3.850 -11.394 1.00 0.00 H new ATOM 0 HA TRP A 531 8.025 1.584 -11.434 1.00 0.00 H new ATOM 0 HB2 TRP A 531 10.159 0.695 -12.673 1.00 0.00 H new ATOM 0 HB3 TRP A 531 9.042 1.791 -13.463 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.107 2.464 -11.129 1.00 0.00 H new ATOM 0 HE1 TRP A 531 13.630 4.228 -12.248 1.00 0.00 H new ATOM 0 HE3 TRP A 531 9.435 3.125 -15.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 13.651 5.675 -14.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 10.273 4.721 -17.109 1.00 0.00 H new ATOM 0 HH2 TRP A 531 12.356 5.974 -16.731 1.00 0.00 H new ATOM 369 N ILE A 532 9.331 1.457 -9.027 1.00 0.00 N ATOM 370 CA ILE A 532 9.888 0.833 -7.874 1.00 0.00 C ATOM 371 C ILE A 532 8.796 0.468 -6.872 1.00 0.00 C ATOM 372 O ILE A 532 9.072 0.305 -5.691 1.00 0.00 O ATOM 373 CB ILE A 532 10.883 1.801 -7.241 1.00 0.00 C ATOM 374 CG1 ILE A 532 11.663 1.130 -6.107 1.00 0.00 C ATOM 375 CG2 ILE A 532 10.136 3.034 -6.758 1.00 0.00 C ATOM 376 CD1 ILE A 532 12.884 1.905 -5.666 1.00 0.00 C ATOM 0 H ILE A 532 8.607 2.147 -8.823 1.00 0.00 H new ATOM 0 HA ILE A 532 10.391 -0.090 -8.164 1.00 0.00 H new ATOM 0 HB ILE A 532 11.618 2.104 -7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.000 0.996 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 532 11.972 0.136 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 532 10.840 3.731 -6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 532 9.643 3.515 -7.603 1.00 0.00 H new ATOM 0 HG23 ILE A 532 9.389 2.741 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 532 13.385 1.368 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 532 13.568 2.016 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 532 12.581 2.890 -5.312 1.00 0.00 H new ATOM 388 N PRO A 533 7.532 0.318 -7.321 1.00 0.00 N ATOM 389 CA PRO A 533 6.446 -0.044 -6.418 1.00 0.00 C ATOM 390 C PRO A 533 6.641 -1.451 -5.878 1.00 0.00 C ATOM 391 O PRO A 533 6.044 -1.846 -4.877 1.00 0.00 O ATOM 392 CB PRO A 533 5.194 0.029 -7.294 1.00 0.00 C ATOM 393 CG PRO A 533 5.691 -0.138 -8.685 1.00 0.00 C ATOM 394 CD PRO A 533 7.066 0.458 -8.713 1.00 0.00 C ATOM 0 HA PRO A 533 6.389 0.611 -5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 533 4.482 -0.754 -7.032 1.00 0.00 H new ATOM 0 HB3 PRO A 533 4.680 0.982 -7.170 1.00 0.00 H new ATOM 0 HG2 PRO A 533 5.718 -1.191 -8.965 1.00 0.00 H new ATOM 0 HG3 PRO A 533 5.035 0.364 -9.396 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.718 -0.070 -9.409 1.00 0.00 H new ATOM 0 HD3 PRO A 533 7.044 1.502 -9.026 1.00 0.00 H new ATOM 402 N TYR A 534 7.500 -2.194 -6.564 1.00 0.00 N ATOM 403 CA TYR A 534 7.826 -3.556 -6.198 1.00 0.00 C ATOM 404 C TYR A 534 8.419 -3.600 -4.793 1.00 0.00 C ATOM 405 O TYR A 534 7.922 -4.311 -3.920 1.00 0.00 O ATOM 406 CB TYR A 534 8.815 -4.129 -7.218 1.00 0.00 C ATOM 407 CG TYR A 534 8.289 -4.134 -8.643 1.00 0.00 C ATOM 408 CD1 TYR A 534 8.376 -3.004 -9.465 1.00 0.00 C ATOM 409 CD2 TYR A 534 7.700 -5.278 -9.170 1.00 0.00 C ATOM 410 CE1 TYR A 534 7.893 -3.029 -10.760 1.00 0.00 C ATOM 411 CE2 TYR A 534 7.216 -5.304 -10.464 1.00 0.00 C ATOM 412 CZ TYR A 534 7.316 -4.179 -11.253 1.00 0.00 C ATOM 413 OH TYR A 534 6.834 -4.204 -12.542 1.00 0.00 O ATOM 0 H TYR A 534 7.990 -1.862 -7.394 1.00 0.00 H new ATOM 0 HA TYR A 534 6.918 -4.160 -6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 534 9.737 -3.548 -7.183 1.00 0.00 H new ATOM 0 HB3 TYR A 534 9.069 -5.149 -6.931 1.00 0.00 H new ATOM 0 HD1 TYR A 534 8.827 -2.100 -9.082 1.00 0.00 H new ATOM 0 HD2 TYR A 534 7.619 -6.163 -8.556 1.00 0.00 H new ATOM 0 HE1 TYR A 534 7.968 -2.150 -11.383 1.00 0.00 H new ATOM 0 HE2 TYR A 534 6.761 -6.202 -10.855 1.00 0.00 H new ATOM 0 HH TYR A 534 6.460 -5.089 -12.734 1.00 0.00 H new ATOM 423 N PHE A 535 9.480 -2.826 -4.582 1.00 0.00 N ATOM 424 CA PHE A 535 10.137 -2.765 -3.281 1.00 0.00 C ATOM 425 C PHE A 535 10.359 -1.319 -2.832 1.00 0.00 C ATOM 426 O PHE A 535 11.069 -1.066 -1.858 1.00 0.00 O ATOM 427 CB PHE A 535 11.473 -3.506 -3.329 1.00 0.00 C ATOM 428 CG PHE A 535 12.314 -3.157 -4.524 1.00 0.00 C ATOM 429 CD1 PHE A 535 13.184 -2.080 -4.483 1.00 0.00 C ATOM 430 CD2 PHE A 535 12.233 -3.905 -5.687 1.00 0.00 C ATOM 431 CE1 PHE A 535 13.959 -1.755 -5.581 1.00 0.00 C ATOM 432 CE2 PHE A 535 13.006 -3.585 -6.789 1.00 0.00 C ATOM 433 CZ PHE A 535 13.870 -2.509 -6.734 1.00 0.00 C ATOM 0 H PHE A 535 9.903 -2.232 -5.296 1.00 0.00 H new ATOM 0 HA PHE A 535 9.482 -3.247 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 535 12.035 -3.283 -2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 535 11.283 -4.579 -3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 535 13.258 -1.487 -3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.559 -4.747 -5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 535 14.633 -0.912 -5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 535 12.934 -4.175 -7.690 1.00 0.00 H new ATOM 0 HZ PHE A 535 14.476 -2.258 -7.592 1.00 0.00 H new ATOM 443 N GLY A 536 9.752 -0.374 -3.544 1.00 0.00 N ATOM 444 CA GLY A 536 9.897 1.032 -3.202 1.00 0.00 C ATOM 445 C GLY A 536 9.393 1.333 -1.808 1.00 0.00 C ATOM 446 O GLY A 536 10.020 0.949 -0.830 1.00 0.00 O ATOM 0 H GLY A 536 9.160 -0.557 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 536 10.947 1.317 -3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 536 9.350 1.639 -3.924 1.00 0.00 H new ATOM 450 N PRO A 537 8.223 1.976 -1.680 1.00 0.00 N ATOM 451 CA PRO A 537 7.622 2.279 -0.381 1.00 0.00 C ATOM 452 C PRO A 537 6.870 1.069 0.143 1.00 0.00 C ATOM 453 O PRO A 537 5.907 1.183 0.899 1.00 0.00 O ATOM 454 CB PRO A 537 6.645 3.385 -0.739 1.00 0.00 C ATOM 455 CG PRO A 537 6.145 2.940 -2.063 1.00 0.00 C ATOM 456 CD PRO A 537 7.352 2.409 -2.784 1.00 0.00 C ATOM 0 HA PRO A 537 8.343 2.552 0.390 1.00 0.00 H new ATOM 0 HB2 PRO A 537 5.841 3.472 -0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.133 4.358 -0.793 1.00 0.00 H new ATOM 0 HG2 PRO A 537 5.380 2.171 -1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 537 5.692 3.766 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 537 7.097 1.582 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.826 3.175 -3.398 1.00 0.00 H new ATOM 464 N ALA A 538 7.333 -0.091 -0.288 1.00 0.00 N ATOM 465 CA ALA A 538 6.757 -1.353 0.083 1.00 0.00 C ATOM 466 C ALA A 538 7.843 -2.226 0.673 1.00 0.00 C ATOM 467 O ALA A 538 7.573 -3.165 1.421 1.00 0.00 O ATOM 468 CB ALA A 538 6.146 -2.020 -1.139 1.00 0.00 C ATOM 0 H ALA A 538 8.133 -0.174 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 538 5.969 -1.203 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 538 5.711 -2.977 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 538 5.369 -1.378 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 538 6.920 -2.184 -1.889 1.00 0.00 H new ATOM 474 N ALA A 539 9.086 -1.898 0.322 1.00 0.00 N ATOM 475 CA ALA A 539 10.225 -2.646 0.813 1.00 0.00 C ATOM 476 C ALA A 539 11.517 -1.828 0.831 1.00 0.00 C ATOM 477 O ALA A 539 12.600 -2.390 0.991 1.00 0.00 O ATOM 478 CB ALA A 539 10.410 -3.909 -0.003 1.00 0.00 C ATOM 0 H ALA A 539 9.321 -1.122 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 539 10.009 -2.906 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.269 -4.464 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 539 9.516 -4.527 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 539 10.579 -3.646 -1.047 1.00 0.00 H new ATOM 484 N GLU A 540 11.414 -0.505 0.709 1.00 0.00 N ATOM 485 CA GLU A 540 12.603 0.347 0.761 1.00 0.00 C ATOM 486 C GLU A 540 13.059 0.445 2.207 1.00 0.00 C ATOM 487 O GLU A 540 13.069 1.520 2.806 1.00 0.00 O ATOM 488 CB GLU A 540 12.308 1.743 0.225 1.00 0.00 C ATOM 489 CG GLU A 540 11.197 2.461 0.975 1.00 0.00 C ATOM 490 CD GLU A 540 10.616 3.619 0.186 1.00 0.00 C ATOM 491 OE1 GLU A 540 10.783 3.635 -1.052 1.00 0.00 O ATOM 492 OE2 GLU A 540 9.997 4.508 0.806 1.00 0.00 O ATOM 0 H GLU A 540 10.535 -0.005 0.576 1.00 0.00 H new ATOM 0 HA GLU A 540 13.382 -0.093 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 540 13.217 2.343 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 540 12.035 1.669 -0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 540 10.404 1.751 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 540 11.584 2.831 1.924 1.00 0.00 H new ATOM 499 N GLY A 541 13.370 -0.705 2.775 1.00 0.00 N ATOM 500 CA GLY A 541 13.749 -0.766 4.168 1.00 0.00 C ATOM 501 C GLY A 541 12.530 -1.064 5.023 1.00 0.00 C ATOM 502 O GLY A 541 12.634 -1.292 6.228 1.00 0.00 O ATOM 0 H GLY A 541 13.367 -1.604 2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 541 14.504 -1.538 4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 541 14.196 0.180 4.474 1.00 0.00 H new ATOM 506 N ILE A 542 11.364 -1.056 4.369 1.00 0.00 N ATOM 507 CA ILE A 542 10.093 -1.321 5.015 1.00 0.00 C ATOM 508 C ILE A 542 9.989 -2.781 5.456 1.00 0.00 C ATOM 509 O ILE A 542 9.514 -3.071 6.553 1.00 0.00 O ATOM 510 CB ILE A 542 8.927 -0.959 4.061 1.00 0.00 C ATOM 511 CG1 ILE A 542 8.355 0.399 4.447 1.00 0.00 C ATOM 512 CG2 ILE A 542 7.833 -2.018 4.074 1.00 0.00 C ATOM 513 CD1 ILE A 542 7.414 0.964 3.414 1.00 0.00 C ATOM 0 H ILE A 542 11.285 -0.863 3.371 1.00 0.00 H new ATOM 0 HA ILE A 542 10.028 -0.699 5.908 1.00 0.00 H new ATOM 0 HB ILE A 542 9.322 -0.915 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 542 7.828 0.307 5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 542 9.175 1.100 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 542 7.035 -1.725 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 542 8.249 -2.974 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 542 7.431 -2.114 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 542 7.043 1.932 3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 542 7.943 1.087 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 542 6.575 0.282 3.274 1.00 0.00 H new ATOM 525 N TYR A 543 10.429 -3.693 4.588 1.00 0.00 N ATOM 526 CA TYR A 543 10.380 -5.129 4.876 1.00 0.00 C ATOM 527 C TYR A 543 10.821 -5.433 6.306 1.00 0.00 C ATOM 528 O TYR A 543 10.376 -6.412 6.905 1.00 0.00 O ATOM 529 CB TYR A 543 11.248 -5.905 3.891 1.00 0.00 C ATOM 530 CG TYR A 543 12.686 -5.458 3.882 1.00 0.00 C ATOM 531 CD1 TYR A 543 13.063 -4.311 3.206 1.00 0.00 C ATOM 532 CD2 TYR A 543 13.662 -6.181 4.549 1.00 0.00 C ATOM 533 CE1 TYR A 543 14.379 -3.891 3.191 1.00 0.00 C ATOM 534 CE2 TYR A 543 14.982 -5.772 4.541 1.00 0.00 C ATOM 535 CZ TYR A 543 15.336 -4.625 3.860 1.00 0.00 C ATOM 536 OH TYR A 543 16.648 -4.213 3.847 1.00 0.00 O ATOM 0 H TYR A 543 10.825 -3.463 3.677 1.00 0.00 H new ATOM 0 HA TYR A 543 9.343 -5.446 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 543 11.206 -6.966 4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.835 -5.795 2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 543 12.316 -3.734 2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 543 13.387 -7.078 5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 543 14.657 -2.993 2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 543 15.732 -6.346 5.064 1.00 0.00 H new ATOM 0 HH TYR A 543 17.193 -4.840 4.367 1.00 0.00 H new ATOM 546 N ALA A 544 11.688 -4.584 6.853 1.00 0.00 N ATOM 547 CA ALA A 544 12.175 -4.758 8.220 1.00 0.00 C ATOM 548 C ALA A 544 11.017 -4.944 9.197 1.00 0.00 C ATOM 549 O ALA A 544 11.193 -5.468 10.297 1.00 0.00 O ATOM 550 CB ALA A 544 13.011 -3.563 8.633 1.00 0.00 C ATOM 0 H ALA A 544 12.068 -3.769 6.371 1.00 0.00 H new ATOM 0 HA ALA A 544 12.792 -5.656 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 544 13.368 -3.704 9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 544 13.863 -3.465 7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 544 12.404 -2.659 8.583 1.00 0.00 H new ATOM 556 N GLU A 545 9.830 -4.520 8.776 1.00 0.00 N ATOM 557 CA GLU A 545 8.629 -4.640 9.585 1.00 0.00 C ATOM 558 C GLU A 545 8.448 -6.084 10.017 1.00 0.00 C ATOM 559 O GLU A 545 8.189 -6.378 11.185 1.00 0.00 O ATOM 560 CB GLU A 545 7.415 -4.179 8.773 1.00 0.00 C ATOM 561 CG GLU A 545 7.393 -4.711 7.344 1.00 0.00 C ATOM 562 CD GLU A 545 6.682 -6.041 7.222 1.00 0.00 C ATOM 563 OE1 GLU A 545 5.471 -6.095 7.513 1.00 0.00 O ATOM 564 OE2 GLU A 545 7.336 -7.031 6.830 1.00 0.00 O ATOM 0 H GLU A 545 9.677 -4.085 7.866 1.00 0.00 H new ATOM 0 HA GLU A 545 8.723 -4.013 10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 545 6.506 -4.497 9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.400 -3.089 8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.903 -3.982 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 545 8.417 -4.818 6.986 1.00 0.00 H new ATOM 571 N GLY A 546 8.619 -6.978 9.058 1.00 0.00 N ATOM 572 CA GLY A 546 8.511 -8.394 9.319 1.00 0.00 C ATOM 573 C GLY A 546 7.242 -8.795 10.059 1.00 0.00 C ATOM 574 O GLY A 546 7.315 -9.459 11.092 1.00 0.00 O ATOM 0 H GLY A 546 8.834 -6.742 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 546 8.551 -8.931 8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 546 9.375 -8.712 9.903 1.00 0.00 H new ATOM 578 N LEU A 547 6.079 -8.406 9.540 1.00 0.00 N ATOM 579 CA LEU A 547 4.814 -8.761 10.183 1.00 0.00 C ATOM 580 C LEU A 547 3.609 -8.459 9.288 1.00 0.00 C ATOM 581 O LEU A 547 2.717 -9.294 9.144 1.00 0.00 O ATOM 582 CB LEU A 547 4.677 -8.051 11.537 1.00 0.00 C ATOM 583 CG LEU A 547 4.168 -6.609 11.489 1.00 0.00 C ATOM 584 CD1 LEU A 547 3.734 -6.153 12.871 1.00 0.00 C ATOM 585 CD2 LEU A 547 5.242 -5.690 10.936 1.00 0.00 C ATOM 0 H LEU A 547 5.985 -7.853 8.688 1.00 0.00 H new ATOM 0 HA LEU A 547 4.828 -9.838 10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 547 4.001 -8.633 12.164 1.00 0.00 H new ATOM 0 HB3 LEU A 547 5.650 -8.056 12.028 1.00 0.00 H new ATOM 0 HG LEU A 547 3.303 -6.567 10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.375 -5.125 12.819 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.934 -6.799 13.233 1.00 0.00 H new ATOM 0 HD13 LEU A 547 4.581 -6.207 13.555 1.00 0.00 H new ATOM 0 HD21 LEU A 547 4.866 -4.667 10.907 1.00 0.00 H new ATOM 0 HD22 LEU A 547 6.124 -5.735 11.575 1.00 0.00 H new ATOM 0 HD23 LEU A 547 5.508 -6.007 9.928 1.00 0.00 H new ATOM 597 N MET A 548 3.585 -7.271 8.688 1.00 0.00 N ATOM 598 CA MET A 548 2.477 -6.884 7.812 1.00 0.00 C ATOM 599 C MET A 548 2.696 -5.500 7.196 1.00 0.00 C ATOM 600 O MET A 548 2.213 -5.217 6.099 1.00 0.00 O ATOM 601 CB MET A 548 1.153 -6.904 8.587 1.00 0.00 C ATOM 602 CG MET A 548 0.961 -5.713 9.513 1.00 0.00 C ATOM 603 SD MET A 548 -0.263 -6.024 10.800 1.00 0.00 S ATOM 604 CE MET A 548 0.548 -7.317 11.736 1.00 0.00 C ATOM 0 H MET A 548 4.313 -6.564 8.790 1.00 0.00 H new ATOM 0 HA MET A 548 2.434 -7.610 7.000 1.00 0.00 H new ATOM 0 HB2 MET A 548 0.328 -6.935 7.876 1.00 0.00 H new ATOM 0 HB3 MET A 548 1.102 -7.820 9.175 1.00 0.00 H new ATOM 0 HG2 MET A 548 1.915 -5.461 9.977 1.00 0.00 H new ATOM 0 HG3 MET A 548 0.654 -4.847 8.926 1.00 0.00 H new ATOM 0 HE1 MET A 548 -0.081 -8.207 11.747 1.00 0.00 H new ATOM 0 HE2 MET A 548 1.506 -7.555 11.273 1.00 0.00 H new ATOM 0 HE3 MET A 548 0.714 -6.977 12.758 1.00 0.00 H new ATOM 614 N HIS A 549 3.418 -4.640 7.909 1.00 0.00 N ATOM 615 CA HIS A 549 3.690 -3.284 7.438 1.00 0.00 C ATOM 616 C HIS A 549 4.315 -3.268 6.037 1.00 0.00 C ATOM 617 O HIS A 549 4.361 -2.222 5.389 1.00 0.00 O ATOM 618 CB HIS A 549 4.603 -2.559 8.427 1.00 0.00 C ATOM 619 CG HIS A 549 3.858 -1.648 9.347 1.00 0.00 C ATOM 620 ND1 HIS A 549 2.488 -1.690 9.491 1.00 0.00 N ATOM 621 CD2 HIS A 549 4.292 -0.660 10.165 1.00 0.00 C ATOM 622 CE1 HIS A 549 2.110 -0.768 10.353 1.00 0.00 C ATOM 623 NE2 HIS A 549 3.184 -0.129 10.780 1.00 0.00 N ATOM 0 H HIS A 549 3.827 -4.858 8.818 1.00 0.00 H new ATOM 0 HA HIS A 549 2.733 -2.766 7.372 1.00 0.00 H new ATOM 0 HB2 HIS A 549 5.149 -3.296 9.017 1.00 0.00 H new ATOM 0 HB3 HIS A 549 5.344 -1.982 7.874 1.00 0.00 H new ATOM 0 HD2 HIS A 549 5.316 -0.348 10.307 1.00 0.00 H new ATOM 0 HE1 HIS A 549 1.094 -0.569 10.659 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.190 0.635 11.456 1.00 0.00 H new ATOM 632 N ASN A 550 4.791 -4.422 5.569 1.00 0.00 N ATOM 633 CA ASN A 550 5.403 -4.517 4.246 1.00 0.00 C ATOM 634 C ASN A 550 4.353 -4.485 3.130 1.00 0.00 C ATOM 635 O ASN A 550 4.680 -4.659 1.957 1.00 0.00 O ATOM 636 CB ASN A 550 6.232 -5.798 4.140 1.00 0.00 C ATOM 637 CG ASN A 550 5.450 -7.029 4.554 1.00 0.00 C ATOM 638 OD1 ASN A 550 4.226 -6.988 4.681 1.00 0.00 O ATOM 639 ND2 ASN A 550 6.154 -8.134 4.769 1.00 0.00 N ATOM 0 H ASN A 550 4.764 -5.301 6.086 1.00 0.00 H new ATOM 0 HA ASN A 550 6.051 -3.650 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 550 6.578 -5.919 3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 550 7.119 -5.706 4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 550 5.682 -8.993 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 550 7.167 -8.124 4.652 1.00 0.00 H new ATOM 646 N GLN A 551 3.093 -4.263 3.502 1.00 0.00 N ATOM 647 CA GLN A 551 1.995 -4.209 2.541 1.00 0.00 C ATOM 648 C GLN A 551 2.286 -3.231 1.404 1.00 0.00 C ATOM 649 O GLN A 551 3.380 -2.673 1.311 1.00 0.00 O ATOM 650 CB GLN A 551 0.715 -3.785 3.259 1.00 0.00 C ATOM 651 CG GLN A 551 0.869 -2.481 4.023 1.00 0.00 C ATOM 652 CD GLN A 551 0.591 -1.262 3.162 1.00 0.00 C ATOM 653 OE1 GLN A 551 1.389 -0.326 3.118 1.00 0.00 O ATOM 654 NE2 GLN A 551 -0.545 -1.266 2.473 1.00 0.00 N ATOM 0 H GLN A 551 2.807 -4.117 4.470 1.00 0.00 H new ATOM 0 HA GLN A 551 1.877 -5.202 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -0.087 -3.680 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 551 0.415 -4.572 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 551 0.190 -2.481 4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 551 1.881 -2.416 4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -1.178 -2.063 2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -0.784 -0.472 1.879 1.00 0.00 H new ATOM 663 N ASP A 552 1.290 -3.028 0.541 1.00 0.00 N ATOM 664 CA ASP A 552 1.424 -2.118 -0.592 1.00 0.00 C ATOM 665 C ASP A 552 0.333 -1.050 -0.565 1.00 0.00 C ATOM 666 O ASP A 552 0.624 0.145 -0.592 1.00 0.00 O ATOM 667 CB ASP A 552 1.359 -2.895 -1.907 1.00 0.00 C ATOM 668 CG ASP A 552 2.617 -3.701 -2.166 1.00 0.00 C ATOM 669 OD1 ASP A 552 3.012 -4.485 -1.278 1.00 0.00 O ATOM 670 OD2 ASP A 552 3.207 -3.547 -3.256 1.00 0.00 O ATOM 0 H ASP A 552 0.380 -3.484 0.607 1.00 0.00 H new ATOM 0 HA ASP A 552 2.393 -1.624 -0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.499 -3.565 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.202 -2.198 -2.730 1.00 0.00 H new ATOM 675 N GLY A 553 -0.924 -1.485 -0.509 1.00 0.00 N ATOM 676 CA GLY A 553 -2.027 -0.540 -0.480 1.00 0.00 C ATOM 677 C GLY A 553 -2.918 -0.638 -1.704 1.00 0.00 C ATOM 678 O GLY A 553 -3.294 0.381 -2.282 1.00 0.00 O ATOM 0 H GLY A 553 -1.197 -2.468 -0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -2.625 -0.715 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -1.630 0.472 -0.405 1.00 0.00 H new ATOM 682 N LEU A 554 -3.244 -1.867 -2.110 1.00 0.00 N ATOM 683 CA LEU A 554 -4.089 -2.101 -3.285 1.00 0.00 C ATOM 684 C LEU A 554 -5.191 -1.049 -3.417 1.00 0.00 C ATOM 685 O LEU A 554 -5.121 -0.175 -4.281 1.00 0.00 O ATOM 686 CB LEU A 554 -4.710 -3.504 -3.244 1.00 0.00 C ATOM 687 CG LEU A 554 -5.013 -4.052 -1.844 1.00 0.00 C ATOM 688 CD1 LEU A 554 -6.510 -4.261 -1.657 1.00 0.00 C ATOM 689 CD2 LEU A 554 -4.258 -5.352 -1.605 1.00 0.00 C ATOM 0 H LEU A 554 -2.935 -2.719 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 554 -3.442 -2.023 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -5.637 -3.489 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -4.035 -4.196 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 554 -4.678 -3.318 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.701 -4.650 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -7.028 -3.310 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.873 -4.972 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -4.485 -5.726 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -4.561 -6.091 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -3.186 -5.171 -1.690 1.00 0.00 H new ATOM 701 N ILE A 555 -6.205 -1.135 -2.562 1.00 0.00 N ATOM 702 CA ILE A 555 -7.315 -0.187 -2.595 1.00 0.00 C ATOM 703 C ILE A 555 -7.991 -0.183 -3.963 1.00 0.00 C ATOM 704 O ILE A 555 -7.432 0.312 -4.941 1.00 0.00 O ATOM 705 CB ILE A 555 -6.843 1.243 -2.271 1.00 0.00 C ATOM 706 CG1 ILE A 555 -5.941 1.245 -1.037 1.00 0.00 C ATOM 707 CG2 ILE A 555 -8.036 2.167 -2.074 1.00 0.00 C ATOM 708 CD1 ILE A 555 -6.664 0.880 0.232 1.00 0.00 C ATOM 0 H ILE A 555 -6.282 -1.850 -1.839 1.00 0.00 H new ATOM 0 HA ILE A 555 -8.028 -0.509 -1.836 1.00 0.00 H new ATOM 0 HB ILE A 555 -6.262 1.615 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -5.121 0.544 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -5.497 2.234 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.683 3.173 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.633 2.190 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.647 1.801 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.965 0.901 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -7.467 1.595 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.085 -0.121 0.136 1.00 0.00 H new ATOM 720 N CYS A 556 -9.199 -0.737 -4.028 1.00 0.00 N ATOM 721 CA CYS A 556 -9.944 -0.792 -5.282 1.00 0.00 C ATOM 722 C CYS A 556 -10.166 0.607 -5.845 1.00 0.00 C ATOM 723 O CYS A 556 -10.211 0.796 -7.061 1.00 0.00 O ATOM 724 CB CYS A 556 -11.288 -1.489 -5.072 1.00 0.00 C ATOM 725 SG CYS A 556 -11.205 -3.307 -5.165 1.00 0.00 S ATOM 0 H CYS A 556 -9.681 -1.152 -3.231 1.00 0.00 H new ATOM 0 HA CYS A 556 -9.355 -1.363 -6.000 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.685 -1.203 -4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -11.993 -1.129 -5.822 1.00 0.00 H new ATOM 730 N GLY A 557 -10.309 1.584 -4.956 1.00 0.00 N ATOM 731 CA GLY A 557 -10.530 2.949 -5.389 1.00 0.00 C ATOM 732 C GLY A 557 -11.980 3.347 -5.271 1.00 0.00 C ATOM 733 O GLY A 557 -12.301 4.522 -5.086 1.00 0.00 O ATOM 0 H GLY A 557 -10.276 1.454 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -9.918 3.624 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -10.206 3.059 -6.424 1.00 0.00 H new ATOM 737 N LEU A 558 -12.857 2.362 -5.390 1.00 0.00 N ATOM 738 CA LEU A 558 -14.284 2.596 -5.309 1.00 0.00 C ATOM 739 C LEU A 558 -15.049 1.282 -5.371 1.00 0.00 C ATOM 740 O LEU A 558 -16.046 1.095 -4.673 1.00 0.00 O ATOM 741 CB LEU A 558 -14.716 3.502 -6.461 1.00 0.00 C ATOM 742 CG LEU A 558 -14.540 2.904 -7.865 1.00 0.00 C ATOM 743 CD1 LEU A 558 -15.494 3.565 -8.847 1.00 0.00 C ATOM 744 CD2 LEU A 558 -13.099 3.051 -8.336 1.00 0.00 C ATOM 0 H LEU A 558 -12.599 1.387 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 558 -14.507 3.079 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -15.765 3.762 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -14.147 4.430 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 558 -14.776 1.841 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -15.356 3.130 -9.837 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -16.521 3.405 -8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -15.289 4.635 -8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -12.996 2.621 -9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -12.832 4.107 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.436 2.530 -7.646 1.00 0.00 H new ATOM 756 N ARG A 559 -14.565 0.387 -6.230 1.00 0.00 N ATOM 757 CA ARG A 559 -15.160 -0.930 -6.451 1.00 0.00 C ATOM 758 C ARG A 559 -14.921 -1.338 -7.893 1.00 0.00 C ATOM 759 O ARG A 559 -15.023 -0.512 -8.801 1.00 0.00 O ATOM 760 CB ARG A 559 -16.667 -0.940 -6.174 1.00 0.00 C ATOM 761 CG ARG A 559 -17.419 0.175 -6.880 1.00 0.00 C ATOM 762 CD ARG A 559 -18.477 0.794 -5.979 1.00 0.00 C ATOM 763 NE ARG A 559 -19.654 1.222 -6.731 1.00 0.00 N ATOM 764 CZ ARG A 559 -20.641 1.949 -6.214 1.00 0.00 C ATOM 765 NH1 ARG A 559 -20.599 2.328 -4.942 1.00 0.00 N ATOM 766 NH2 ARG A 559 -21.674 2.298 -6.968 1.00 0.00 N ATOM 0 H ARG A 559 -13.737 0.558 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.691 -1.630 -5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -17.079 -1.900 -6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -16.832 -0.856 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -16.716 0.944 -7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -17.891 -0.217 -7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -18.775 0.071 -5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.051 1.649 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 559 -19.723 0.947 -7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -19.807 2.062 -4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -21.358 2.885 -4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -21.713 2.009 -7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -22.430 2.855 -6.571 1.00 0.00 H new ATOM 780 N GLN A 560 -14.602 -2.600 -8.109 1.00 0.00 N ATOM 781 CA GLN A 560 -14.352 -3.080 -9.456 1.00 0.00 C ATOM 782 C GLN A 560 -14.608 -4.580 -9.563 1.00 0.00 C ATOM 783 O GLN A 560 -15.100 -5.167 -8.577 1.00 0.00 O ATOM 784 CB GLN A 560 -12.916 -2.758 -9.871 1.00 0.00 C ATOM 785 CG GLN A 560 -11.866 -3.437 -9.005 1.00 0.00 C ATOM 786 CD GLN A 560 -10.996 -4.402 -9.788 1.00 0.00 C ATOM 787 OE1 GLN A 560 -11.408 -4.928 -10.821 1.00 0.00 O ATOM 788 NE2 GLN A 560 -9.785 -4.639 -9.297 1.00 0.00 N ATOM 789 OXT GLN A 560 -14.317 -5.155 -10.634 1.00 0.00 O ATOM 0 H GLN A 560 -14.510 -3.305 -7.378 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.041 -2.572 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -12.770 -3.060 -10.908 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -12.768 -1.679 -9.829 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -11.235 -2.677 -8.544 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -12.361 -3.975 -8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -9.485 -4.180 -8.437 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -9.155 -5.280 -9.780 1.00 0.00 H new TER 798 GLN A 560