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= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -6.11! C(o=-6.1!,f=-13!) USER MOD Single : A 514 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.46) USER MOD Single : A 517 TYR OH : rot 160:sc= -0.346 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 :FLIP amide:sc= -0.209 F(o=-0.86,f=-0.21) 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 -162:sc= 0 (180deg=-0.335) USER MOD Single : A 549 HIS : no HD1:sc= -6.47! C(o=-6.5!,f=-7.2!) USER MOD Single : A 550 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.8!) USER MOD Single : A 551 GLN : amide:sc= -6.79 K(o=-6.8,f=-10!) USER MOD Single : A 560 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -19.639 1.690 -4.352 1.00 0.00 N ATOM 2 CA ALA A 507 -19.274 1.657 -2.912 1.00 0.00 C ATOM 3 C ALA A 507 -18.240 0.571 -2.637 1.00 0.00 C ATOM 4 O ALA A 507 -18.343 -0.542 -3.152 1.00 0.00 O ATOM 5 CB ALA A 507 -20.512 1.435 -2.057 1.00 0.00 C ATOM 0 HA ALA A 507 -18.835 2.620 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -20.228 1.413 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -21.221 2.246 -2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -20.976 0.486 -2.327 1.00 0.00 H new ATOM 13 N GLN A 508 -17.242 0.902 -1.823 1.00 0.00 N ATOM 14 CA GLN A 508 -16.190 -0.047 -1.481 1.00 0.00 C ATOM 15 C GLN A 508 -16.775 -1.293 -0.816 1.00 0.00 C ATOM 16 O GLN A 508 -17.620 -1.189 0.073 1.00 0.00 O ATOM 17 CB GLN A 508 -15.168 0.608 -0.550 1.00 0.00 C ATOM 18 CG GLN A 508 -15.769 1.113 0.752 1.00 0.00 C ATOM 19 CD GLN A 508 -14.716 1.579 1.738 1.00 0.00 C ATOM 20 OE1 GLN A 508 -14.715 1.175 2.900 1.00 0.00 O ATOM 21 NE2 GLN A 508 -13.811 2.434 1.277 1.00 0.00 N ATOM 0 H GLN A 508 -17.141 1.819 -1.389 1.00 0.00 H new ATOM 0 HA GLN A 508 -15.693 -0.348 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -14.382 -0.112 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -14.696 1.441 -1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -16.451 1.936 0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -16.361 0.319 1.207 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -13.849 2.743 0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -13.077 2.782 1.894 1.00 0.00 H new ATOM 30 N PRO A 509 -16.330 -2.494 -1.232 1.00 0.00 N ATOM 31 CA PRO A 509 -16.802 -3.753 -0.680 1.00 0.00 C ATOM 32 C PRO A 509 -15.948 -4.231 0.485 1.00 0.00 C ATOM 33 O PRO A 509 -15.937 -5.417 0.815 1.00 0.00 O ATOM 34 CB PRO A 509 -16.674 -4.721 -1.863 1.00 0.00 C ATOM 35 CG PRO A 509 -15.783 -4.047 -2.868 1.00 0.00 C ATOM 36 CD PRO A 509 -15.333 -2.736 -2.270 1.00 0.00 C ATOM 0 HA PRO A 509 -17.812 -3.671 -0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -16.248 -5.672 -1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -17.651 -4.939 -2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -14.924 -4.676 -3.102 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -16.318 -3.878 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -14.327 -2.805 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -15.319 -1.937 -3.011 1.00 0.00 H new ATOM 44 N LYS A 510 -15.237 -3.301 1.110 1.00 0.00 N ATOM 45 CA LYS A 510 -14.385 -3.627 2.244 1.00 0.00 C ATOM 46 C LYS A 510 -13.322 -4.650 1.860 1.00 0.00 C ATOM 47 O LYS A 510 -13.453 -5.836 2.160 1.00 0.00 O ATOM 48 CB LYS A 510 -15.231 -4.176 3.383 1.00 0.00 C ATOM 49 CG LYS A 510 -16.029 -3.113 4.119 1.00 0.00 C ATOM 50 CD LYS A 510 -17.350 -3.662 4.631 1.00 0.00 C ATOM 51 CE LYS A 510 -17.189 -4.322 5.991 1.00 0.00 C ATOM 52 NZ LYS A 510 -16.872 -5.772 5.871 1.00 0.00 N ATOM 0 H LYS A 510 -15.234 -2.315 0.850 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.883 -2.714 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -15.918 -4.923 2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -14.581 -4.686 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -15.444 -2.732 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -16.218 -2.272 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -18.078 -2.854 4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -17.745 -4.386 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -16.395 -3.822 6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -18.107 -4.197 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -16.770 -6.185 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -17.641 -6.255 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -15.983 -5.891 5.345 1.00 0.00 H new ATOM 66 N CYS A 511 -12.270 -4.187 1.199 1.00 0.00 N ATOM 67 CA CYS A 511 -11.191 -5.074 0.785 1.00 0.00 C ATOM 68 C CYS A 511 -9.858 -4.335 0.731 1.00 0.00 C ATOM 69 O CYS A 511 -8.964 -4.703 -0.033 1.00 0.00 O ATOM 70 CB CYS A 511 -11.507 -5.716 -0.571 1.00 0.00 C ATOM 71 SG CYS A 511 -12.712 -4.798 -1.587 1.00 0.00 S ATOM 0 H CYS A 511 -12.141 -3.209 0.939 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.106 -5.865 1.530 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -10.580 -5.817 -1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.888 -6.723 -0.401 1.00 0.00 H new ATOM 76 N ASN A 512 -9.725 -3.300 1.557 1.00 0.00 N ATOM 77 CA ASN A 512 -8.493 -2.521 1.616 1.00 0.00 C ATOM 78 C ASN A 512 -7.401 -3.318 2.324 1.00 0.00 C ATOM 79 O ASN A 512 -7.696 -4.264 3.053 1.00 0.00 O ATOM 80 CB ASN A 512 -8.735 -1.201 2.350 1.00 0.00 C ATOM 81 CG ASN A 512 -9.766 -0.334 1.656 1.00 0.00 C ATOM 82 OD1 ASN A 512 -9.903 -0.371 0.434 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.499 0.454 2.436 1.00 0.00 N ATOM 0 H ASN A 512 -10.455 -2.982 2.194 1.00 0.00 H new ATOM 0 HA ASN A 512 -8.169 -2.303 0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.066 -1.410 3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -7.796 -0.653 2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -11.209 1.060 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -10.351 0.452 3.445 1.00 0.00 H new ATOM 90 N PRO A 513 -6.121 -2.962 2.117 1.00 0.00 N ATOM 91 CA PRO A 513 -5.010 -3.669 2.742 1.00 0.00 C ATOM 92 C PRO A 513 -4.724 -3.183 4.170 1.00 0.00 C ATOM 93 O PRO A 513 -5.468 -3.506 5.097 1.00 0.00 O ATOM 94 CB PRO A 513 -3.857 -3.357 1.793 1.00 0.00 C ATOM 95 CG PRO A 513 -4.144 -1.972 1.326 1.00 0.00 C ATOM 96 CD PRO A 513 -5.647 -1.857 1.258 1.00 0.00 C ATOM 0 HA PRO A 513 -5.201 -4.735 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -2.894 -3.416 2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -3.823 -4.060 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -3.727 -1.235 2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -3.694 -1.789 0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -5.992 -0.890 1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -6.011 -1.960 0.236 1.00 0.00 H new ATOM 104 N ASN A 514 -3.646 -2.420 4.349 1.00 0.00 N ATOM 105 CA ASN A 514 -3.269 -1.910 5.660 1.00 0.00 C ATOM 106 C ASN A 514 -2.931 -0.432 5.587 1.00 0.00 C ATOM 107 O ASN A 514 -3.639 0.414 6.132 1.00 0.00 O ATOM 108 CB ASN A 514 -2.045 -2.660 6.169 1.00 0.00 C ATOM 109 CG ASN A 514 -2.402 -3.789 7.117 1.00 0.00 C ATOM 110 OD1 ASN A 514 -2.227 -3.675 8.330 1.00 0.00 O ATOM 111 ND2 ASN A 514 -2.903 -4.888 6.566 1.00 0.00 N ATOM 0 H ASN A 514 -3.017 -2.142 3.595 1.00 0.00 H new ATOM 0 HA ASN A 514 -4.113 -2.054 6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -1.493 -3.064 5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -1.381 -1.961 6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -3.160 -5.681 7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -3.031 -4.939 5.555 1.00 0.00 H new ATOM 118 N LEU A 515 -1.826 -0.153 4.904 1.00 0.00 N ATOM 119 CA LEU A 515 -1.323 1.200 4.715 1.00 0.00 C ATOM 120 C LEU A 515 -1.542 2.065 5.951 1.00 0.00 C ATOM 121 O LEU A 515 -2.009 3.199 5.861 1.00 0.00 O ATOM 122 CB LEU A 515 -1.982 1.810 3.486 1.00 0.00 C ATOM 123 CG LEU A 515 -3.477 2.100 3.620 1.00 0.00 C ATOM 124 CD1 LEU A 515 -3.727 3.591 3.791 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.234 1.564 2.414 1.00 0.00 C ATOM 0 H LEU A 515 -1.249 -0.869 4.462 1.00 0.00 H new ATOM 0 HA LEU A 515 -0.245 1.155 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -1.469 2.741 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -1.834 1.135 2.643 1.00 0.00 H new ATOM 0 HG LEU A 515 -3.844 1.591 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -4.798 3.772 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.220 3.944 4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.343 4.126 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.297 1.779 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.861 2.042 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.088 0.486 2.342 1.00 0.00 H new ATOM 137 N HIS A 516 -1.192 1.511 7.108 1.00 0.00 N ATOM 138 CA HIS A 516 -1.339 2.216 8.373 1.00 0.00 C ATOM 139 C HIS A 516 0.012 2.687 8.912 1.00 0.00 C ATOM 140 O HIS A 516 0.065 3.412 9.906 1.00 0.00 O ATOM 141 CB HIS A 516 -2.026 1.315 9.402 1.00 0.00 C ATOM 142 CG HIS A 516 -3.468 1.653 9.623 1.00 0.00 C ATOM 143 ND1 HIS A 516 -3.955 2.942 9.581 1.00 0.00 N ATOM 144 CD2 HIS A 516 -4.533 0.859 9.888 1.00 0.00 C ATOM 145 CE1 HIS A 516 -5.255 2.927 9.813 1.00 0.00 C ATOM 146 NE2 HIS A 516 -5.631 1.677 10.002 1.00 0.00 N ATOM 0 H HIS A 516 -0.803 0.572 7.193 1.00 0.00 H new ATOM 0 HA HIS A 516 -1.956 3.097 8.194 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -1.950 0.278 9.074 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -1.494 1.389 10.351 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -4.521 -0.216 9.991 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -5.901 3.792 9.843 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -6.582 1.368 10.201 1.00 0.00 H new ATOM 155 N TYR A 517 1.107 2.280 8.266 1.00 0.00 N ATOM 156 CA TYR A 517 2.436 2.683 8.716 1.00 0.00 C ATOM 157 C TYR A 517 2.728 4.127 8.309 1.00 0.00 C ATOM 158 O TYR A 517 3.540 4.806 8.937 1.00 0.00 O ATOM 159 CB TYR A 517 3.517 1.725 8.171 1.00 0.00 C ATOM 160 CG TYR A 517 3.965 2.002 6.747 1.00 0.00 C ATOM 161 CD1 TYR A 517 4.566 3.208 6.407 1.00 0.00 C ATOM 162 CD2 TYR A 517 3.783 1.059 5.740 1.00 0.00 C ATOM 163 CE1 TYR A 517 4.969 3.469 5.116 1.00 0.00 C ATOM 164 CE2 TYR A 517 4.184 1.314 4.444 1.00 0.00 C ATOM 165 CZ TYR A 517 4.775 2.520 4.136 1.00 0.00 C ATOM 166 OH TYR A 517 5.176 2.777 2.846 1.00 0.00 O ATOM 0 H TYR A 517 1.099 1.680 7.441 1.00 0.00 H new ATOM 0 HA TYR A 517 2.458 2.626 9.804 1.00 0.00 H new ATOM 0 HB2 TYR A 517 4.387 1.775 8.825 1.00 0.00 H new ATOM 0 HB3 TYR A 517 3.136 0.705 8.224 1.00 0.00 H new ATOM 0 HD1 TYR A 517 4.720 3.956 7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 517 3.320 0.112 5.976 1.00 0.00 H new ATOM 0 HE1 TYR A 517 5.435 4.413 4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 517 4.035 0.571 3.674 1.00 0.00 H new ATOM 0 HH TYR A 517 5.270 1.932 2.358 1.00 0.00 H new ATOM 176 N TRP A 518 2.062 4.586 7.252 1.00 0.00 N ATOM 177 CA TRP A 518 2.245 5.937 6.754 1.00 0.00 C ATOM 178 C TRP A 518 1.003 6.775 7.004 1.00 0.00 C ATOM 179 O TRP A 518 -0.106 6.389 6.636 1.00 0.00 O ATOM 180 CB TRP A 518 2.571 5.913 5.266 1.00 0.00 C ATOM 181 CG TRP A 518 3.554 6.967 4.865 1.00 0.00 C ATOM 182 CD1 TRP A 518 3.377 7.915 3.908 1.00 0.00 C ATOM 183 CD2 TRP A 518 4.861 7.187 5.411 1.00 0.00 C ATOM 184 NE1 TRP A 518 4.492 8.712 3.814 1.00 0.00 N ATOM 185 CE2 TRP A 518 5.418 8.284 4.728 1.00 0.00 C ATOM 186 CE3 TRP A 518 5.613 6.562 6.409 1.00 0.00 C ATOM 187 CZ2 TRP A 518 6.692 8.769 5.013 1.00 0.00 C ATOM 188 CZ3 TRP A 518 6.878 7.044 6.690 1.00 0.00 C ATOM 189 CH2 TRP A 518 7.406 8.139 5.994 1.00 0.00 C ATOM 0 H TRP A 518 1.387 4.033 6.724 1.00 0.00 H new ATOM 0 HA TRP A 518 3.080 6.389 7.290 1.00 0.00 H new ATOM 0 HB2 TRP A 518 2.970 4.933 5.003 1.00 0.00 H new ATOM 0 HB3 TRP A 518 1.651 6.046 4.696 1.00 0.00 H new ATOM 0 HD1 TRP A 518 2.487 8.026 3.307 1.00 0.00 H new ATOM 0 HE1 TRP A 518 4.611 9.494 3.170 1.00 0.00 H new ATOM 0 HE3 TRP A 518 5.213 5.718 6.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 7.101 9.613 4.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 7.469 6.568 7.459 1.00 0.00 H new ATOM 0 HH2 TRP A 518 8.397 8.493 6.237 1.00 0.00 H new ATOM 200 N THR A 519 1.220 7.920 7.641 1.00 0.00 N ATOM 201 CA THR A 519 0.161 8.876 7.983 1.00 0.00 C ATOM 202 C THR A 519 -1.147 8.615 7.232 1.00 0.00 C ATOM 203 O THR A 519 -2.196 8.429 7.849 1.00 0.00 O ATOM 204 CB THR A 519 0.646 10.295 7.694 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.433 11.214 7.726 1.00 0.00 O ATOM 206 CG2 THR A 519 1.328 10.431 6.349 1.00 0.00 C ATOM 0 H THR A 519 2.148 8.219 7.941 1.00 0.00 H new ATOM 0 HA THR A 519 -0.054 8.752 9.044 1.00 0.00 H new ATOM 0 HB THR A 519 1.372 10.516 8.476 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.100 12.117 7.540 1.00 0.00 H new ATOM 0 HG21 THR A 519 1.648 11.463 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 519 2.196 9.773 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.631 10.155 5.558 1.00 0.00 H new ATOM 214 N THR A 520 -1.081 8.601 5.902 1.00 0.00 N ATOM 215 CA THR A 520 -2.270 8.365 5.086 1.00 0.00 C ATOM 216 C THR A 520 -1.933 8.353 3.597 1.00 0.00 C ATOM 217 O THR A 520 -2.381 7.475 2.859 1.00 0.00 O ATOM 218 CB THR A 520 -3.335 9.433 5.371 1.00 0.00 C ATOM 219 OG1 THR A 520 -4.624 8.957 5.028 1.00 0.00 O ATOM 220 CG2 THR A 520 -3.113 10.732 4.619 1.00 0.00 C ATOM 0 H THR A 520 -0.224 8.749 5.370 1.00 0.00 H new ATOM 0 HA THR A 520 -2.663 7.384 5.353 1.00 0.00 H new ATOM 0 HB THR A 520 -3.254 9.636 6.439 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.290 9.650 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 520 -3.904 11.438 4.871 1.00 0.00 H new ATOM 0 HG22 THR A 520 -2.148 11.154 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 520 -3.127 10.538 3.546 1.00 0.00 H new ATOM 228 N GLN A 521 -1.156 9.342 3.161 1.00 0.00 N ATOM 229 CA GLN A 521 -0.773 9.460 1.756 1.00 0.00 C ATOM 230 C GLN A 521 -0.373 8.114 1.171 1.00 0.00 C ATOM 231 O GLN A 521 0.090 7.225 1.884 1.00 0.00 O ATOM 232 CB GLN A 521 0.380 10.447 1.594 1.00 0.00 C ATOM 233 CG GLN A 521 1.600 10.095 2.426 1.00 0.00 C ATOM 234 CD GLN A 521 2.467 11.300 2.733 1.00 0.00 C ATOM 235 OE1 GLN A 521 3.114 11.284 3.894 1.00 0.00 O flip ATOM 236 NE2 GLN A 521 2.555 12.235 1.938 1.00 0.00 N flip ATOM 0 H GLN A 521 -0.779 10.075 3.762 1.00 0.00 H new ATOM 0 HA GLN A 521 -1.644 9.827 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 521 0.667 10.489 0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.036 11.444 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 521 1.277 9.637 3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 521 2.194 9.351 1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 521 2.041 12.206 1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 521 3.142 13.039 2.159 1.00 0.00 H new ATOM 245 N ASP A 522 -0.561 7.975 -0.135 1.00 0.00 N ATOM 246 CA ASP A 522 -0.227 6.741 -0.832 1.00 0.00 C ATOM 247 C ASP A 522 1.206 6.306 -0.537 1.00 0.00 C ATOM 248 O ASP A 522 2.143 6.707 -1.227 1.00 0.00 O ATOM 249 CB ASP A 522 -0.422 6.911 -2.339 1.00 0.00 C ATOM 250 CG ASP A 522 -1.870 7.163 -2.710 1.00 0.00 C ATOM 251 OD1 ASP A 522 -2.759 6.562 -2.071 1.00 0.00 O ATOM 252 OD2 ASP A 522 -2.115 7.960 -3.639 1.00 0.00 O ATOM 0 H ASP A 522 -0.945 8.705 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 522 -0.899 5.963 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 522 0.190 7.742 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -0.069 6.016 -2.851 1.00 0.00 H new ATOM 257 N GLU A 523 1.363 5.476 0.488 1.00 0.00 N ATOM 258 CA GLU A 523 2.676 4.974 0.874 1.00 0.00 C ATOM 259 C GLU A 523 2.977 3.671 0.151 1.00 0.00 C ATOM 260 O GLU A 523 3.144 2.619 0.768 1.00 0.00 O ATOM 261 CB GLU A 523 2.743 4.771 2.383 1.00 0.00 C ATOM 262 CG GLU A 523 1.735 3.764 2.922 1.00 0.00 C ATOM 263 CD GLU A 523 0.419 4.405 3.320 1.00 0.00 C ATOM 264 OE1 GLU A 523 -0.324 4.844 2.417 1.00 0.00 O ATOM 265 OE2 GLU A 523 0.132 4.468 4.533 1.00 0.00 O ATOM 0 H GLU A 523 0.596 5.136 1.068 1.00 0.00 H new ATOM 0 HA GLU A 523 3.427 5.711 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 523 3.747 4.442 2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 523 2.581 5.730 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 523 1.549 3.003 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.163 3.256 3.786 1.00 0.00 H new ATOM 272 N GLY A 524 3.016 3.754 -1.167 1.00 0.00 N ATOM 273 CA GLY A 524 3.260 2.588 -1.985 1.00 0.00 C ATOM 274 C GLY A 524 1.996 2.148 -2.686 1.00 0.00 C ATOM 275 O GLY A 524 1.922 1.043 -3.224 1.00 0.00 O ATOM 0 H GLY A 524 2.881 4.619 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 524 4.031 2.811 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 524 3.638 1.776 -1.364 1.00 0.00 H new ATOM 279 N ALA A 525 0.994 3.024 -2.662 1.00 0.00 N ATOM 280 CA ALA A 525 -0.296 2.752 -3.282 1.00 0.00 C ATOM 281 C ALA A 525 -0.193 2.672 -4.806 1.00 0.00 C ATOM 282 O ALA A 525 -0.871 3.408 -5.522 1.00 0.00 O ATOM 283 CB ALA A 525 -1.297 3.826 -2.878 1.00 0.00 C ATOM 0 H ALA A 525 1.055 3.938 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 525 -0.638 1.779 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -2.261 3.619 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.411 3.828 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -0.937 4.801 -3.207 1.00 0.00 H new ATOM 289 N ALA A 526 0.650 1.769 -5.295 1.00 0.00 N ATOM 290 CA ALA A 526 0.836 1.585 -6.729 1.00 0.00 C ATOM 291 C ALA A 526 1.244 2.882 -7.405 1.00 0.00 C ATOM 292 O ALA A 526 0.409 3.626 -7.916 1.00 0.00 O ATOM 293 CB ALA A 526 -0.427 1.028 -7.363 1.00 0.00 C ATOM 0 H ALA A 526 1.218 1.150 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 526 1.644 0.867 -6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -0.270 0.897 -8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -0.667 0.065 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -1.252 1.721 -7.200 1.00 0.00 H new ATOM 299 N ILE A 527 2.540 3.143 -7.388 1.00 0.00 N ATOM 300 CA ILE A 527 3.088 4.340 -7.977 1.00 0.00 C ATOM 301 C ILE A 527 4.610 4.306 -7.925 1.00 0.00 C ATOM 302 O ILE A 527 5.282 4.504 -8.937 1.00 0.00 O ATOM 303 CB ILE A 527 2.560 5.572 -7.239 1.00 0.00 C ATOM 304 CG1 ILE A 527 3.200 6.856 -7.771 1.00 0.00 C ATOM 305 CG2 ILE A 527 2.795 5.418 -5.751 1.00 0.00 C ATOM 306 CD1 ILE A 527 2.386 8.100 -7.486 1.00 0.00 C ATOM 0 H ILE A 527 3.236 2.529 -6.965 1.00 0.00 H new ATOM 0 HA ILE A 527 2.779 4.393 -9.021 1.00 0.00 H new ATOM 0 HB ILE A 527 1.488 5.651 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.190 6.970 -7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 527 3.341 6.763 -8.848 1.00 0.00 H new ATOM 0 HG21 ILE A 527 2.417 6.298 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 527 2.274 4.531 -5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.863 5.314 -5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 527 2.900 8.972 -7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 527 1.405 8.008 -7.952 1.00 0.00 H new ATOM 0 HD13 ILE A 527 2.266 8.218 -6.409 1.00 0.00 H new ATOM 318 N GLY A 528 5.146 4.035 -6.737 1.00 0.00 N ATOM 319 CA GLY A 528 6.586 3.954 -6.561 1.00 0.00 C ATOM 320 C GLY A 528 7.328 5.254 -6.859 1.00 0.00 C ATOM 321 O GLY A 528 8.471 5.422 -6.434 1.00 0.00 O ATOM 0 H GLY A 528 4.604 3.869 -5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 528 6.799 3.655 -5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 528 6.976 3.169 -7.209 1.00 0.00 H new ATOM 325 N ALA A 529 6.692 6.174 -7.589 1.00 0.00 N ATOM 326 CA ALA A 529 7.313 7.453 -7.934 1.00 0.00 C ATOM 327 C ALA A 529 8.762 7.267 -8.381 1.00 0.00 C ATOM 328 O ALA A 529 9.615 8.116 -8.120 1.00 0.00 O ATOM 329 CB ALA A 529 7.240 8.404 -6.751 1.00 0.00 C ATOM 0 H ALA A 529 5.746 6.056 -7.952 1.00 0.00 H new ATOM 0 HA ALA A 529 6.761 7.882 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 529 7.705 9.353 -7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 529 6.197 8.573 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 529 7.766 7.969 -5.901 1.00 0.00 H new ATOM 335 N ALA A 530 9.031 6.145 -9.050 1.00 0.00 N ATOM 336 CA ALA A 530 10.372 5.823 -9.531 1.00 0.00 C ATOM 337 C ALA A 530 10.442 4.350 -9.899 1.00 0.00 C ATOM 338 O ALA A 530 11.320 3.631 -9.426 1.00 0.00 O ATOM 339 CB ALA A 530 11.422 6.149 -8.471 1.00 0.00 C ATOM 0 H ALA A 530 8.329 5.439 -9.272 1.00 0.00 H new ATOM 0 HA ALA A 530 10.580 6.428 -10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 530 12.413 5.901 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 530 11.381 7.212 -8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 530 11.223 5.567 -7.571 1.00 0.00 H new ATOM 345 N TRP A 531 9.489 3.906 -10.723 1.00 0.00 N ATOM 346 CA TRP A 531 9.403 2.505 -11.146 1.00 0.00 C ATOM 347 C TRP A 531 9.977 1.596 -10.094 1.00 0.00 C ATOM 348 O TRP A 531 10.759 0.688 -10.377 1.00 0.00 O ATOM 349 CB TRP A 531 10.109 2.274 -12.473 1.00 0.00 C ATOM 350 CG TRP A 531 11.336 3.110 -12.667 1.00 0.00 C ATOM 351 CD1 TRP A 531 12.397 3.211 -11.819 1.00 0.00 C ATOM 352 CD2 TRP A 531 11.633 3.956 -13.785 1.00 0.00 C ATOM 353 NE1 TRP A 531 13.336 4.072 -12.334 1.00 0.00 N ATOM 354 CE2 TRP A 531 12.889 4.542 -13.542 1.00 0.00 C ATOM 355 CE3 TRP A 531 10.957 4.275 -14.966 1.00 0.00 C ATOM 356 CZ2 TRP A 531 13.483 5.428 -14.437 1.00 0.00 C ATOM 357 CZ3 TRP A 531 11.548 5.155 -15.854 1.00 0.00 C ATOM 358 CH2 TRP A 531 12.800 5.722 -15.586 1.00 0.00 C ATOM 0 H TRP A 531 8.760 4.503 -11.114 1.00 0.00 H new ATOM 0 HA TRP A 531 8.347 2.272 -11.281 1.00 0.00 H new ATOM 0 HB2 TRP A 531 10.384 1.222 -12.548 1.00 0.00 H new ATOM 0 HB3 TRP A 531 9.411 2.479 -13.284 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.487 2.690 -10.878 1.00 0.00 H new ATOM 0 HE1 TRP A 531 14.220 4.321 -11.890 1.00 0.00 H new ATOM 0 HE3 TRP A 531 9.991 3.842 -15.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 14.448 5.867 -14.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 11.035 5.409 -16.770 1.00 0.00 H new ATOM 0 HH2 TRP A 531 13.235 6.405 -16.300 1.00 0.00 H new ATOM 369 N ILE A 532 9.594 1.875 -8.872 1.00 0.00 N ATOM 370 CA ILE A 532 10.062 1.132 -7.751 1.00 0.00 C ATOM 371 C ILE A 532 8.926 0.845 -6.774 1.00 0.00 C ATOM 372 O ILE A 532 9.167 0.589 -5.602 1.00 0.00 O ATOM 373 CB ILE A 532 11.155 1.946 -7.063 1.00 0.00 C ATOM 374 CG1 ILE A 532 11.858 1.129 -5.977 1.00 0.00 C ATOM 375 CG2 ILE A 532 10.543 3.220 -6.505 1.00 0.00 C ATOM 376 CD1 ILE A 532 13.102 1.792 -5.432 1.00 0.00 C ATOM 0 H ILE A 532 8.947 2.628 -8.637 1.00 0.00 H new ATOM 0 HA ILE A 532 10.457 0.173 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 532 11.921 2.212 -7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.161 0.954 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 532 12.125 0.153 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 532 11.316 3.809 -6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 532 10.108 3.801 -7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 532 9.766 2.965 -5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 532 13.548 1.156 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 532 13.818 1.943 -6.240 1.00 0.00 H new ATOM 0 HD13 ILE A 532 12.839 2.756 -4.995 1.00 0.00 H new ATOM 388 N PRO A 533 7.656 0.866 -7.235 1.00 0.00 N ATOM 389 CA PRO A 533 6.529 0.585 -6.356 1.00 0.00 C ATOM 390 C PRO A 533 6.578 -0.856 -5.875 1.00 0.00 C ATOM 391 O PRO A 533 5.949 -1.226 -4.883 1.00 0.00 O ATOM 392 CB PRO A 533 5.301 0.819 -7.236 1.00 0.00 C ATOM 393 CG PRO A 533 5.796 0.672 -8.631 1.00 0.00 C ATOM 394 CD PRO A 533 7.222 1.130 -8.619 1.00 0.00 C ATOM 0 HA PRO A 533 6.526 1.209 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 533 4.515 0.096 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 533 4.878 1.810 -7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 533 5.723 -0.364 -8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 533 5.201 1.271 -9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.826 0.581 -9.341 1.00 0.00 H new ATOM 0 HD3 PRO A 533 7.306 2.187 -8.872 1.00 0.00 H new ATOM 402 N TYR A 534 7.351 -1.656 -6.598 1.00 0.00 N ATOM 403 CA TYR A 534 7.535 -3.058 -6.291 1.00 0.00 C ATOM 404 C TYR A 534 8.111 -3.224 -4.889 1.00 0.00 C ATOM 405 O TYR A 534 7.529 -3.902 -4.043 1.00 0.00 O ATOM 406 CB TYR A 534 8.469 -3.681 -7.334 1.00 0.00 C ATOM 407 CG TYR A 534 7.955 -3.566 -8.759 1.00 0.00 C ATOM 408 CD1 TYR A 534 8.175 -2.418 -9.530 1.00 0.00 C ATOM 409 CD2 TYR A 534 7.248 -4.612 -9.336 1.00 0.00 C ATOM 410 CE1 TYR A 534 7.700 -2.331 -10.825 1.00 0.00 C ATOM 411 CE2 TYR A 534 6.773 -4.528 -10.631 1.00 0.00 C ATOM 412 CZ TYR A 534 7.001 -3.387 -11.370 1.00 0.00 C ATOM 413 OH TYR A 534 6.529 -3.302 -12.660 1.00 0.00 O ATOM 0 H TYR A 534 7.869 -1.343 -7.419 1.00 0.00 H new ATOM 0 HA TYR A 534 6.571 -3.566 -6.321 1.00 0.00 H new ATOM 0 HB2 TYR A 534 9.445 -3.199 -7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 534 8.617 -4.734 -7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 534 8.723 -1.589 -9.107 1.00 0.00 H new ATOM 0 HD2 TYR A 534 7.066 -5.508 -8.762 1.00 0.00 H new ATOM 0 HE1 TYR A 534 7.876 -1.439 -11.408 1.00 0.00 H new ATOM 0 HE2 TYR A 534 6.225 -5.353 -11.062 1.00 0.00 H new ATOM 0 HH TYR A 534 6.060 -4.130 -12.892 1.00 0.00 H new ATOM 423 N PHE A 535 9.256 -2.591 -4.648 1.00 0.00 N ATOM 424 CA PHE A 535 9.909 -2.660 -3.344 1.00 0.00 C ATOM 425 C PHE A 535 10.301 -1.270 -2.838 1.00 0.00 C ATOM 426 O PHE A 535 11.055 -1.143 -1.874 1.00 0.00 O ATOM 427 CB PHE A 535 11.145 -3.556 -3.414 1.00 0.00 C ATOM 428 CG PHE A 535 11.964 -3.362 -4.659 1.00 0.00 C ATOM 429 CD1 PHE A 535 12.698 -2.202 -4.846 1.00 0.00 C ATOM 430 CD2 PHE A 535 11.999 -4.338 -5.640 1.00 0.00 C ATOM 431 CE1 PHE A 535 13.452 -2.019 -5.989 1.00 0.00 C ATOM 432 CE2 PHE A 535 12.751 -4.162 -6.786 1.00 0.00 C ATOM 433 CZ PHE A 535 13.478 -3.001 -6.962 1.00 0.00 C ATOM 0 H PHE A 535 9.750 -2.025 -5.338 1.00 0.00 H new ATOM 0 HA PHE A 535 9.194 -3.087 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 535 11.772 -3.363 -2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 535 10.831 -4.598 -3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 535 12.681 -1.432 -4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.432 -5.248 -5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 535 14.020 -1.110 -6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 535 12.770 -4.932 -7.543 1.00 0.00 H new ATOM 0 HZ PHE A 535 14.065 -2.861 -7.857 1.00 0.00 H new ATOM 443 N GLY A 536 9.785 -0.232 -3.490 1.00 0.00 N ATOM 444 CA GLY A 536 10.093 1.131 -3.087 1.00 0.00 C ATOM 445 C GLY A 536 9.582 1.440 -1.697 1.00 0.00 C ATOM 446 O GLY A 536 10.148 0.974 -0.716 1.00 0.00 O ATOM 0 H GLY A 536 9.158 -0.310 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 536 11.172 1.284 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 536 9.651 1.828 -3.799 1.00 0.00 H new ATOM 450 N PRO A 537 8.473 2.181 -1.579 1.00 0.00 N ATOM 451 CA PRO A 537 7.864 2.504 -0.288 1.00 0.00 C ATOM 452 C PRO A 537 6.984 1.358 0.178 1.00 0.00 C ATOM 453 O PRO A 537 6.008 1.546 0.902 1.00 0.00 O ATOM 454 CB PRO A 537 7.010 3.708 -0.641 1.00 0.00 C ATOM 455 CG PRO A 537 6.506 3.347 -1.987 1.00 0.00 C ATOM 456 CD PRO A 537 7.675 2.720 -2.693 1.00 0.00 C ATOM 0 HA PRO A 537 8.583 2.684 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 537 6.199 3.855 0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.592 4.630 -0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 537 5.668 2.653 -1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 537 6.149 4.227 -2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 537 7.360 1.936 -3.382 1.00 0.00 H new ATOM 0 HD3 PRO A 537 8.235 3.451 -3.276 1.00 0.00 H new ATOM 464 N ALA A 538 7.351 0.169 -0.267 1.00 0.00 N ATOM 465 CA ALA A 538 6.644 -1.040 0.053 1.00 0.00 C ATOM 466 C ALA A 538 7.628 -2.039 0.621 1.00 0.00 C ATOM 467 O ALA A 538 7.252 -2.981 1.319 1.00 0.00 O ATOM 468 CB ALA A 538 5.980 -1.598 -1.196 1.00 0.00 C ATOM 0 H ALA A 538 8.161 0.023 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 538 5.867 -0.835 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 538 5.446 -2.515 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 538 5.277 -0.865 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 538 6.740 -1.815 -1.946 1.00 0.00 H new ATOM 474 N ALA A 539 8.905 -1.818 0.308 1.00 0.00 N ATOM 475 CA ALA A 539 9.956 -2.693 0.784 1.00 0.00 C ATOM 476 C ALA A 539 11.318 -1.997 0.865 1.00 0.00 C ATOM 477 O ALA A 539 12.343 -2.664 1.005 1.00 0.00 O ATOM 478 CB ALA A 539 10.044 -3.929 -0.087 1.00 0.00 C ATOM 0 H ALA A 539 9.227 -1.042 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 539 9.691 -2.983 1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.838 -4.578 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 539 9.095 -4.464 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 539 10.263 -3.636 -1.114 1.00 0.00 H new ATOM 484 N GLU A 540 11.337 -0.666 0.818 1.00 0.00 N ATOM 485 CA GLU A 540 12.599 0.067 0.936 1.00 0.00 C ATOM 486 C GLU A 540 13.021 0.059 2.395 1.00 0.00 C ATOM 487 O GLU A 540 13.142 1.103 3.037 1.00 0.00 O ATOM 488 CB GLU A 540 12.453 1.507 0.456 1.00 0.00 C ATOM 489 CG GLU A 540 11.386 2.294 1.201 1.00 0.00 C ATOM 490 CD GLU A 540 10.955 3.541 0.454 1.00 0.00 C ATOM 491 OE1 GLU A 540 11.150 3.590 -0.779 1.00 0.00 O ATOM 492 OE2 GLU A 540 10.424 4.467 1.101 1.00 0.00 O ATOM 0 H GLU A 540 10.510 -0.081 0.701 1.00 0.00 H new ATOM 0 HA GLU A 540 13.350 -0.417 0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 540 13.411 2.016 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 540 12.214 1.504 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 540 10.518 1.656 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 540 11.766 2.576 2.183 1.00 0.00 H new ATOM 499 N GLY A 541 13.178 -1.140 2.923 1.00 0.00 N ATOM 500 CA GLY A 541 13.508 -1.303 4.320 1.00 0.00 C ATOM 501 C GLY A 541 12.246 -1.578 5.118 1.00 0.00 C ATOM 502 O GLY A 541 12.300 -1.900 6.305 1.00 0.00 O ATOM 0 H GLY A 541 13.082 -2.013 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 541 14.213 -2.125 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 541 13.998 -0.404 4.695 1.00 0.00 H new ATOM 506 N ILE A 542 11.105 -1.449 4.435 1.00 0.00 N ATOM 507 CA ILE A 542 9.801 -1.677 5.031 1.00 0.00 C ATOM 508 C ILE A 542 9.592 -3.159 5.343 1.00 0.00 C ATOM 509 O ILE A 542 9.085 -3.509 6.408 1.00 0.00 O ATOM 510 CB ILE A 542 8.682 -1.162 4.091 1.00 0.00 C ATOM 511 CG1 ILE A 542 8.227 0.218 4.546 1.00 0.00 C ATOM 512 CG2 ILE A 542 7.499 -2.118 4.047 1.00 0.00 C ATOM 513 CD1 ILE A 542 7.343 0.911 3.541 1.00 0.00 C ATOM 0 H ILE A 542 11.068 -1.183 3.451 1.00 0.00 H new ATOM 0 HA ILE A 542 9.756 -1.123 5.969 1.00 0.00 H new ATOM 0 HB ILE A 542 9.090 -1.099 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 542 7.690 0.124 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 542 9.103 0.838 4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.736 -1.722 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 542 7.831 -3.091 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 542 7.082 -2.227 5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 542 7.053 1.889 3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 542 7.886 1.035 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 542 6.450 0.311 3.367 1.00 0.00 H new ATOM 525 N TYR A 543 9.984 -4.022 4.404 1.00 0.00 N ATOM 526 CA TYR A 543 9.838 -5.471 4.570 1.00 0.00 C ATOM 527 C TYR A 543 10.246 -5.918 5.971 1.00 0.00 C ATOM 528 O TYR A 543 9.729 -6.907 6.491 1.00 0.00 O ATOM 529 CB TYR A 543 10.665 -6.219 3.529 1.00 0.00 C ATOM 530 CG TYR A 543 12.132 -5.881 3.577 1.00 0.00 C ATOM 531 CD1 TYR A 543 12.597 -4.689 3.053 1.00 0.00 C ATOM 532 CD2 TYR A 543 13.047 -6.752 4.147 1.00 0.00 C ATOM 533 CE1 TYR A 543 13.940 -4.367 3.091 1.00 0.00 C ATOM 534 CE2 TYR A 543 14.393 -6.443 4.191 1.00 0.00 C ATOM 535 CZ TYR A 543 14.834 -5.248 3.661 1.00 0.00 C ATOM 536 OH TYR A 543 16.173 -4.934 3.701 1.00 0.00 O ATOM 0 H TYR A 543 10.406 -3.743 3.518 1.00 0.00 H new ATOM 0 HA TYR A 543 8.784 -5.709 4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.541 -7.291 3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.279 -5.990 2.536 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.898 -3.997 2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.702 -7.687 4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 543 14.287 -3.432 2.677 1.00 0.00 H new ATOM 0 HE2 TYR A 543 15.095 -7.132 4.637 1.00 0.00 H new ATOM 0 HH TYR A 543 16.666 -5.660 4.136 1.00 0.00 H new ATOM 546 N ALA A 544 11.163 -5.174 6.587 1.00 0.00 N ATOM 547 CA ALA A 544 11.624 -5.484 7.938 1.00 0.00 C ATOM 548 C ALA A 544 10.446 -5.643 8.895 1.00 0.00 C ATOM 549 O ALA A 544 10.574 -6.233 9.968 1.00 0.00 O ATOM 550 CB ALA A 544 12.552 -4.394 8.433 1.00 0.00 C ATOM 0 H ALA A 544 11.601 -4.352 6.171 1.00 0.00 H new ATOM 0 HA ALA A 544 12.166 -6.429 7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 544 12.890 -4.634 9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 544 13.413 -4.320 7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 544 12.021 -3.442 8.446 1.00 0.00 H new ATOM 556 N GLU A 545 9.294 -5.120 8.486 1.00 0.00 N ATOM 557 CA GLU A 545 8.077 -5.201 9.275 1.00 0.00 C ATOM 558 C GLU A 545 7.800 -6.650 9.632 1.00 0.00 C ATOM 559 O GLU A 545 7.508 -6.985 10.781 1.00 0.00 O ATOM 560 CB GLU A 545 6.908 -4.631 8.467 1.00 0.00 C ATOM 561 CG GLU A 545 6.888 -5.083 7.010 1.00 0.00 C ATOM 562 CD GLU A 545 6.057 -6.331 6.789 1.00 0.00 C ATOM 563 OE1 GLU A 545 4.824 -6.260 6.967 1.00 0.00 O ATOM 564 OE2 GLU A 545 6.637 -7.377 6.431 1.00 0.00 O ATOM 0 H GLU A 545 9.182 -4.629 7.599 1.00 0.00 H new ATOM 0 HA GLU A 545 8.196 -4.623 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.972 -4.926 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 545 6.953 -3.542 8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.495 -4.277 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 545 7.910 -5.270 6.679 1.00 0.00 H new ATOM 571 N GLY A 546 7.925 -7.503 8.629 1.00 0.00 N ATOM 572 CA GLY A 546 7.724 -8.921 8.816 1.00 0.00 C ATOM 573 C GLY A 546 6.421 -9.274 9.519 1.00 0.00 C ATOM 574 O GLY A 546 6.346 -10.297 10.199 1.00 0.00 O ATOM 0 H GLY A 546 8.166 -7.232 7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 546 7.745 -9.412 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 546 8.557 -9.323 9.393 1.00 0.00 H new ATOM 578 N LEU A 547 5.391 -8.444 9.360 1.00 0.00 N ATOM 579 CA LEU A 547 4.104 -8.716 10.000 1.00 0.00 C ATOM 580 C LEU A 547 2.927 -8.286 9.124 1.00 0.00 C ATOM 581 O LEU A 547 1.937 -9.007 9.013 1.00 0.00 O ATOM 582 CB LEU A 547 4.028 -8.043 11.378 1.00 0.00 C ATOM 583 CG LEU A 547 3.634 -6.564 11.378 1.00 0.00 C ATOM 584 CD1 LEU A 547 3.181 -6.137 12.764 1.00 0.00 C ATOM 585 CD2 LEU A 547 4.799 -5.711 10.909 1.00 0.00 C ATOM 0 H LEU A 547 5.420 -7.590 8.803 1.00 0.00 H new ATOM 0 HA LEU A 547 4.032 -9.795 10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 547 3.310 -8.590 11.989 1.00 0.00 H new ATOM 0 HB3 LEU A 547 4.999 -8.140 11.863 1.00 0.00 H new ATOM 0 HG LEU A 547 2.802 -6.423 10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.904 -5.083 12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.320 -6.734 13.065 1.00 0.00 H new ATOM 0 HD13 LEU A 547 3.993 -6.288 13.475 1.00 0.00 H new ATOM 0 HD21 LEU A 547 4.506 -4.661 10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 547 5.647 -5.854 11.578 1.00 0.00 H new ATOM 0 HD23 LEU A 547 5.081 -6.005 9.898 1.00 0.00 H new ATOM 597 N MET A 548 3.033 -7.112 8.506 1.00 0.00 N ATOM 598 CA MET A 548 1.962 -6.607 7.646 1.00 0.00 C ATOM 599 C MET A 548 2.285 -5.222 7.079 1.00 0.00 C ATOM 600 O MET A 548 1.754 -4.835 6.038 1.00 0.00 O ATOM 601 CB MET A 548 0.642 -6.554 8.421 1.00 0.00 C ATOM 602 CG MET A 548 -0.341 -7.638 8.017 1.00 0.00 C ATOM 603 SD MET A 548 -1.454 -8.102 9.357 1.00 0.00 S ATOM 604 CE MET A 548 -1.150 -9.865 9.455 1.00 0.00 C ATOM 0 H MET A 548 3.842 -6.496 8.583 1.00 0.00 H new ATOM 0 HA MET A 548 1.868 -7.296 6.807 1.00 0.00 H new ATOM 0 HB2 MET A 548 0.852 -6.644 9.487 1.00 0.00 H new ATOM 0 HB3 MET A 548 0.179 -5.579 8.268 1.00 0.00 H new ATOM 0 HG2 MET A 548 -0.928 -7.292 7.166 1.00 0.00 H new ATOM 0 HG3 MET A 548 0.211 -8.518 7.687 1.00 0.00 H new ATOM 0 HE1 MET A 548 -1.967 -10.346 9.994 1.00 0.00 H new ATOM 0 HE2 MET A 548 -1.085 -10.280 8.449 1.00 0.00 H new ATOM 0 HE3 MET A 548 -0.213 -10.044 9.982 1.00 0.00 H new ATOM 614 N HIS A 549 3.144 -4.475 7.768 1.00 0.00 N ATOM 615 CA HIS A 549 3.517 -3.132 7.328 1.00 0.00 C ATOM 616 C HIS A 549 4.063 -3.119 5.896 1.00 0.00 C ATOM 617 O HIS A 549 4.204 -2.054 5.295 1.00 0.00 O ATOM 618 CB HIS A 549 4.540 -2.525 8.290 1.00 0.00 C ATOM 619 CG HIS A 549 3.951 -1.493 9.194 1.00 0.00 C ATOM 620 ND1 HIS A 549 2.599 -1.405 9.445 1.00 0.00 N ATOM 621 CD2 HIS A 549 4.530 -0.499 9.908 1.00 0.00 C ATOM 622 CE1 HIS A 549 2.370 -0.404 10.270 1.00 0.00 C ATOM 623 NE2 HIS A 549 3.525 0.163 10.569 1.00 0.00 N ATOM 0 H HIS A 549 3.595 -4.776 8.632 1.00 0.00 H new ATOM 0 HA HIS A 549 2.610 -2.527 7.333 1.00 0.00 H new ATOM 0 HB2 HIS A 549 4.980 -3.320 8.893 1.00 0.00 H new ATOM 0 HB3 HIS A 549 5.350 -2.076 7.715 1.00 0.00 H new ATOM 0 HD2 HIS A 549 5.585 -0.270 9.950 1.00 0.00 H new ATOM 0 HE1 HIS A 549 1.402 -0.099 10.639 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.650 0.963 11.190 1.00 0.00 H new ATOM 632 N ASN A 550 4.359 -4.297 5.342 1.00 0.00 N ATOM 633 CA ASN A 550 4.874 -4.394 3.977 1.00 0.00 C ATOM 634 C ASN A 550 3.773 -4.143 2.940 1.00 0.00 C ATOM 635 O ASN A 550 3.963 -4.386 1.749 1.00 0.00 O ATOM 636 CB ASN A 550 5.500 -5.771 3.744 1.00 0.00 C ATOM 637 CG ASN A 550 4.563 -6.903 4.115 1.00 0.00 C ATOM 638 OD1 ASN A 550 3.396 -6.678 4.436 1.00 0.00 O ATOM 639 ND2 ASN A 550 5.070 -8.130 4.074 1.00 0.00 N ATOM 0 H ASN A 550 4.251 -5.193 5.817 1.00 0.00 H new ATOM 0 HA ASN A 550 5.635 -3.623 3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 550 5.782 -5.866 2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 550 6.416 -5.854 4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 550 4.486 -8.931 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 550 6.043 -8.271 3.802 1.00 0.00 H new ATOM 646 N GLN A 551 2.623 -3.659 3.408 1.00 0.00 N ATOM 647 CA GLN A 551 1.480 -3.369 2.548 1.00 0.00 C ATOM 648 C GLN A 551 1.869 -2.522 1.336 1.00 0.00 C ATOM 649 O GLN A 551 3.041 -2.211 1.125 1.00 0.00 O ATOM 650 CB GLN A 551 0.425 -2.626 3.361 1.00 0.00 C ATOM 651 CG GLN A 551 0.984 -1.412 4.087 1.00 0.00 C ATOM 652 CD GLN A 551 0.895 -1.536 5.596 1.00 0.00 C ATOM 653 OE1 GLN A 551 0.668 -2.621 6.130 1.00 0.00 O ATOM 654 NE2 GLN A 551 1.077 -0.420 6.292 1.00 0.00 N ATOM 0 H GLN A 551 2.459 -3.457 4.394 1.00 0.00 H new ATOM 0 HA GLN A 551 1.091 -4.317 2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -0.380 -2.308 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -0.013 -3.309 4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 551 2.026 -1.271 3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 551 0.442 -0.522 3.768 1.00 0.00 H new ATOM 0 HE21 GLN A 551 1.263 0.458 5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 551 1.031 -0.441 7.311 1.00 0.00 H new ATOM 663 N ASP A 552 0.859 -2.145 0.552 1.00 0.00 N ATOM 664 CA ASP A 552 1.063 -1.324 -0.637 1.00 0.00 C ATOM 665 C ASP A 552 -0.043 -0.277 -0.758 1.00 0.00 C ATOM 666 O ASP A 552 0.228 0.898 -1.009 1.00 0.00 O ATOM 667 CB ASP A 552 1.094 -2.201 -1.891 1.00 0.00 C ATOM 668 CG ASP A 552 2.507 -2.465 -2.376 1.00 0.00 C ATOM 669 OD1 ASP A 552 3.262 -3.153 -1.656 1.00 0.00 O ATOM 670 OD2 ASP A 552 2.857 -1.986 -3.474 1.00 0.00 O ATOM 0 H ASP A 552 -0.114 -2.398 0.722 1.00 0.00 H new ATOM 0 HA ASP A 552 2.021 -0.813 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.602 -3.150 -1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 552 0.525 -1.716 -2.684 1.00 0.00 H new ATOM 675 N GLY A 553 -1.288 -0.709 -0.571 1.00 0.00 N ATOM 676 CA GLY A 553 -2.412 0.207 -0.655 1.00 0.00 C ATOM 677 C GLY A 553 -3.352 -0.115 -1.802 1.00 0.00 C ATOM 678 O GLY A 553 -3.817 0.785 -2.500 1.00 0.00 O ATOM 0 H GLY A 553 -1.538 -1.676 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -2.968 0.179 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -2.037 1.224 -0.773 1.00 0.00 H new ATOM 682 N LEU A 554 -3.630 -1.401 -2.002 1.00 0.00 N ATOM 683 CA LEU A 554 -4.520 -1.834 -3.078 1.00 0.00 C ATOM 684 C LEU A 554 -5.812 -1.020 -3.104 1.00 0.00 C ATOM 685 O LEU A 554 -5.975 -0.128 -3.936 1.00 0.00 O ATOM 686 CB LEU A 554 -4.846 -3.328 -2.957 1.00 0.00 C ATOM 687 CG LEU A 554 -4.883 -3.886 -1.529 1.00 0.00 C ATOM 688 CD1 LEU A 554 -6.233 -4.524 -1.238 1.00 0.00 C ATOM 689 CD2 LEU A 554 -3.762 -4.894 -1.323 1.00 0.00 C ATOM 0 H LEU A 554 -3.253 -2.160 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 554 -3.991 -1.664 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -5.814 -3.509 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -4.107 -3.890 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 554 -4.737 -3.060 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.239 -4.914 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -7.019 -3.777 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.409 -5.339 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -3.803 -5.280 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -3.879 -5.717 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -2.801 -4.408 -1.489 1.00 0.00 H new ATOM 701 N ILE A 555 -6.728 -1.334 -2.195 1.00 0.00 N ATOM 702 CA ILE A 555 -8.004 -0.634 -2.123 1.00 0.00 C ATOM 703 C ILE A 555 -8.856 -0.927 -3.352 1.00 0.00 C ATOM 704 O ILE A 555 -8.470 -0.609 -4.476 1.00 0.00 O ATOM 705 CB ILE A 555 -7.804 0.887 -2.000 1.00 0.00 C ATOM 706 CG1 ILE A 555 -6.767 1.194 -0.926 1.00 0.00 C ATOM 707 CG2 ILE A 555 -9.123 1.575 -1.686 1.00 0.00 C ATOM 708 CD1 ILE A 555 -7.184 0.727 0.443 1.00 0.00 C ATOM 0 H ILE A 555 -6.610 -2.069 -1.498 1.00 0.00 H new ATOM 0 HA ILE A 555 -8.517 -0.996 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.440 1.270 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -5.823 0.720 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.587 2.269 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -8.962 2.650 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.837 1.376 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.517 1.193 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.405 0.974 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.113 1.221 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.336 -0.352 0.429 1.00 0.00 H new ATOM 720 N CYS A 556 -10.011 -1.543 -3.130 1.00 0.00 N ATOM 721 CA CYS A 556 -10.912 -1.888 -4.221 1.00 0.00 C ATOM 722 C CYS A 556 -11.398 -0.635 -4.944 1.00 0.00 C ATOM 723 O CYS A 556 -11.617 -0.650 -6.155 1.00 0.00 O ATOM 724 CB CYS A 556 -12.101 -2.679 -3.671 1.00 0.00 C ATOM 725 SG CYS A 556 -11.726 -4.429 -3.324 1.00 0.00 S ATOM 0 H CYS A 556 -10.345 -1.813 -2.205 1.00 0.00 H new ATOM 0 HA CYS A 556 -10.371 -2.502 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.449 -2.203 -2.754 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.921 -2.628 -4.387 1.00 0.00 H new ATOM 730 N GLY A 557 -11.564 0.449 -4.192 1.00 0.00 N ATOM 731 CA GLY A 557 -12.021 1.698 -4.767 1.00 0.00 C ATOM 732 C GLY A 557 -13.527 1.776 -4.807 1.00 0.00 C ATOM 733 O GLY A 557 -14.107 2.845 -4.627 1.00 0.00 O ATOM 0 H GLY A 557 -11.388 0.482 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.629 2.532 -4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.624 1.800 -5.777 1.00 0.00 H new ATOM 737 N LEU A 558 -14.155 0.624 -5.024 1.00 0.00 N ATOM 738 CA LEU A 558 -15.597 0.515 -5.074 1.00 0.00 C ATOM 739 C LEU A 558 -16.010 -0.841 -5.637 1.00 0.00 C ATOM 740 O LEU A 558 -16.984 -1.441 -5.185 1.00 0.00 O ATOM 741 CB LEU A 558 -16.195 1.631 -5.929 1.00 0.00 C ATOM 742 CG LEU A 558 -15.903 1.536 -7.429 1.00 0.00 C ATOM 743 CD1 LEU A 558 -16.969 2.270 -8.227 1.00 0.00 C ATOM 744 CD2 LEU A 558 -14.523 2.095 -7.738 1.00 0.00 C ATOM 0 H LEU A 558 -13.669 -0.261 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 558 -15.977 0.610 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -17.276 1.636 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -15.820 2.587 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 558 -15.921 0.485 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -16.745 2.192 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -17.944 1.825 -8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -16.983 3.320 -7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -14.331 2.020 -8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -14.478 3.141 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -13.770 1.526 -7.194 1.00 0.00 H new ATOM 756 N ARG A 559 -15.254 -1.312 -6.629 1.00 0.00 N ATOM 757 CA ARG A 559 -15.521 -2.593 -7.276 1.00 0.00 C ATOM 758 C ARG A 559 -16.971 -2.697 -7.737 1.00 0.00 C ATOM 759 O ARG A 559 -17.892 -2.753 -6.924 1.00 0.00 O ATOM 760 CB ARG A 559 -15.191 -3.749 -6.337 1.00 0.00 C ATOM 761 CG ARG A 559 -13.806 -4.335 -6.563 1.00 0.00 C ATOM 762 CD ARG A 559 -12.749 -3.247 -6.676 1.00 0.00 C ATOM 763 NE ARG A 559 -12.280 -3.075 -8.049 1.00 0.00 N ATOM 764 CZ ARG A 559 -11.362 -3.852 -8.623 1.00 0.00 C ATOM 765 NH1 ARG A 559 -10.815 -4.855 -7.948 1.00 0.00 N ATOM 766 NH2 ARG A 559 -10.992 -3.623 -9.875 1.00 0.00 N ATOM 0 H ARG A 559 -14.444 -0.818 -7.004 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.880 -2.653 -8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -15.267 -3.403 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.935 -4.535 -6.465 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -13.554 -5.003 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -13.809 -4.936 -7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -13.159 -2.305 -6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -11.904 -3.495 -6.033 1.00 0.00 H new ATOM 0 HE ARG A 559 -12.679 -2.315 -8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -11.097 -5.035 -6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -10.113 -5.446 -8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -11.410 -2.853 -10.398 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -10.289 -4.217 -10.316 1.00 0.00 H new ATOM 780 N GLN A 560 -17.164 -2.732 -9.048 1.00 0.00 N ATOM 781 CA GLN A 560 -18.500 -2.836 -9.612 1.00 0.00 C ATOM 782 C GLN A 560 -18.584 -3.991 -10.605 1.00 0.00 C ATOM 783 O GLN A 560 -19.711 -4.447 -10.889 1.00 0.00 O ATOM 784 CB GLN A 560 -18.893 -1.527 -10.299 1.00 0.00 C ATOM 785 CG GLN A 560 -17.883 -1.055 -11.332 1.00 0.00 C ATOM 786 CD GLN A 560 -18.527 -0.691 -12.656 1.00 0.00 C ATOM 787 OE1 GLN A 560 -19.208 -1.511 -13.274 1.00 0.00 O ATOM 788 NE2 GLN A 560 -18.316 0.542 -13.098 1.00 0.00 N ATOM 789 OXT GLN A 560 -17.520 -4.429 -11.093 1.00 0.00 O ATOM 0 H GLN A 560 -16.414 -2.690 -9.738 1.00 0.00 H new ATOM 0 HA GLN A 560 -19.196 -3.031 -8.796 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -19.861 -1.657 -10.783 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -19.016 -0.752 -9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -17.349 -0.189 -10.942 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -17.143 -1.839 -11.496 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -17.745 1.188 -12.553 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -18.725 0.844 -13.983 1.00 0.00 H new TER 798 GLN A 560