USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 520 THR OG1 : rot 40:sc= 1.11 USER MOD Single : A 508 GLN : amide:sc= -0.0604 K(o=-0.06,f=-1.4) USER MOD Single : A 512 ASN : amide:sc= -1.35 K(o=-1.4,f=-3.3!) USER MOD Single : A 514 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 516 HIS : no HD1:sc= -1.75 X(o=-1.8,f=-1.5) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot 131:sc= -0.447! USER MOD Single : A 521 GLN :FLIP amide:sc= -0.0588 F(o=-1.1,f=-0.059) 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= -4.51! C(o=-4.5!,f=-5.2!) USER MOD Single : A 550 ASN : amide:sc= -0.0675 K(o=-0.067,f=-0.66) USER MOD Single : A 551 GLN : amide:sc= -5.45! C(o=-5.5!,f=-5.6!) USER MOD Single : A 560 GLN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -20.280 4.980 -1.316 1.00 0.00 N ATOM 2 CA ALA A 507 -19.028 4.719 -2.074 1.00 0.00 C ATOM 3 C ALA A 507 -18.754 3.225 -2.183 1.00 0.00 C ATOM 4 O ALA A 507 -19.319 2.423 -1.437 1.00 0.00 O ATOM 5 CB ALA A 507 -17.852 5.418 -1.411 1.00 0.00 C ATOM 0 HA ALA A 507 -19.156 5.117 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -16.943 5.217 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -18.034 6.492 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -17.735 5.046 -0.393 1.00 0.00 H new ATOM 13 N GLN A 508 -17.879 2.856 -3.111 1.00 0.00 N ATOM 14 CA GLN A 508 -17.524 1.458 -3.311 1.00 0.00 C ATOM 15 C GLN A 508 -16.009 1.273 -3.296 1.00 0.00 C ATOM 16 O GLN A 508 -15.383 1.128 -4.345 1.00 0.00 O ATOM 17 CB GLN A 508 -18.102 0.944 -4.631 1.00 0.00 C ATOM 18 CG GLN A 508 -18.322 -0.560 -4.655 1.00 0.00 C ATOM 19 CD GLN A 508 -17.172 -1.308 -5.302 1.00 0.00 C ATOM 20 OE1 GLN A 508 -16.284 -1.815 -4.617 1.00 0.00 O ATOM 21 NE2 GLN A 508 -17.183 -1.378 -6.628 1.00 0.00 N ATOM 0 H GLN A 508 -17.403 3.506 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 508 -17.950 0.881 -2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -19.051 1.445 -4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -17.429 1.217 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -18.456 -0.920 -3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -19.243 -0.780 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -17.940 -0.943 -7.155 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -16.435 -1.867 -7.119 1.00 0.00 H new ATOM 30 N PRO A 509 -15.399 1.276 -2.100 1.00 0.00 N ATOM 31 CA PRO A 509 -13.950 1.109 -1.951 1.00 0.00 C ATOM 32 C PRO A 509 -13.500 -0.335 -2.163 1.00 0.00 C ATOM 33 O PRO A 509 -12.306 -0.615 -2.227 1.00 0.00 O ATOM 34 CB PRO A 509 -13.698 1.539 -0.507 1.00 0.00 C ATOM 35 CG PRO A 509 -14.967 1.223 0.204 1.00 0.00 C ATOM 36 CD PRO A 509 -16.071 1.445 -0.796 1.00 0.00 C ATOM 0 HA PRO A 509 -13.395 1.686 -2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -12.856 1.000 -0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -13.462 2.601 -0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -14.967 0.194 0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -15.096 1.864 1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -16.880 0.726 -0.666 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -16.508 2.438 -0.696 1.00 0.00 H new ATOM 44 N LYS A 510 -14.465 -1.249 -2.265 1.00 0.00 N ATOM 45 CA LYS A 510 -14.188 -2.674 -2.468 1.00 0.00 C ATOM 46 C LYS A 510 -13.864 -3.377 -1.152 1.00 0.00 C ATOM 47 O LYS A 510 -14.153 -4.561 -0.977 1.00 0.00 O ATOM 48 CB LYS A 510 -13.055 -2.876 -3.493 1.00 0.00 C ATOM 49 CG LYS A 510 -11.697 -3.201 -2.881 1.00 0.00 C ATOM 50 CD LYS A 510 -10.559 -2.705 -3.756 1.00 0.00 C ATOM 51 CE LYS A 510 -10.013 -1.380 -3.252 1.00 0.00 C ATOM 52 NZ LYS A 510 -8.586 -1.185 -3.628 1.00 0.00 N ATOM 0 H LYS A 510 -15.459 -1.025 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 510 -15.094 -3.129 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -13.336 -3.682 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -12.961 -1.972 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -11.623 -2.745 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -11.608 -4.278 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -9.761 -3.447 -3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -10.909 -2.590 -4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -10.610 -0.564 -3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -10.111 -1.337 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -8.253 -0.269 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -8.012 -1.949 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -8.495 -1.200 -4.664 1.00 0.00 H new ATOM 66 N CYS A 511 -13.265 -2.635 -0.237 1.00 0.00 N ATOM 67 CA CYS A 511 -12.892 -3.160 1.074 1.00 0.00 C ATOM 68 C CYS A 511 -12.223 -4.528 0.959 1.00 0.00 C ATOM 69 O CYS A 511 -12.888 -5.564 0.995 1.00 0.00 O ATOM 70 CB CYS A 511 -14.124 -3.248 1.978 1.00 0.00 C ATOM 71 SG CYS A 511 -14.070 -2.128 3.416 1.00 0.00 S ATOM 0 H CYS A 511 -13.022 -1.654 -0.377 1.00 0.00 H new ATOM 0 HA CYS A 511 -12.171 -2.472 1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -15.012 -3.022 1.388 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.229 -4.273 2.333 1.00 0.00 H new ATOM 76 N ASN A 512 -10.902 -4.518 0.827 1.00 0.00 N ATOM 77 CA ASN A 512 -10.131 -5.749 0.714 1.00 0.00 C ATOM 78 C ASN A 512 -8.941 -5.721 1.669 1.00 0.00 C ATOM 79 O ASN A 512 -7.808 -5.484 1.254 1.00 0.00 O ATOM 80 CB ASN A 512 -9.645 -5.946 -0.723 1.00 0.00 C ATOM 81 CG ASN A 512 -10.584 -6.813 -1.538 1.00 0.00 C ATOM 82 OD1 ASN A 512 -11.015 -6.430 -2.625 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.907 -7.989 -1.014 1.00 0.00 N ATOM 0 H ASN A 512 -10.341 -3.667 0.796 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.777 -6.585 0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.542 -4.974 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.655 -6.401 -0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -11.536 -8.616 -1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -10.526 -8.266 -0.109 1.00 0.00 H new ATOM 90 N PRO A 513 -9.188 -5.957 2.972 1.00 0.00 N ATOM 91 CA PRO A 513 -8.138 -5.950 3.997 1.00 0.00 C ATOM 92 C PRO A 513 -7.328 -7.245 4.037 1.00 0.00 C ATOM 93 O PRO A 513 -6.716 -7.569 5.055 1.00 0.00 O ATOM 94 CB PRO A 513 -8.929 -5.775 5.291 1.00 0.00 C ATOM 95 CG PRO A 513 -10.244 -6.424 5.019 1.00 0.00 C ATOM 96 CD PRO A 513 -10.516 -6.240 3.546 1.00 0.00 C ATOM 0 HA PRO A 513 -7.397 -5.173 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.421 -6.246 6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.051 -4.721 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.216 -7.482 5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.032 -5.969 5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -10.959 -7.134 3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.211 -5.420 3.368 1.00 0.00 H new ATOM 104 N ASN A 514 -7.324 -7.980 2.930 1.00 0.00 N ATOM 105 CA ASN A 514 -6.584 -9.233 2.847 1.00 0.00 C ATOM 106 C ASN A 514 -5.219 -9.015 2.196 1.00 0.00 C ATOM 107 O ASN A 514 -4.263 -9.737 2.483 1.00 0.00 O ATOM 108 CB ASN A 514 -7.391 -10.266 2.057 1.00 0.00 C ATOM 109 CG ASN A 514 -6.624 -11.553 1.818 1.00 0.00 C ATOM 110 OD1 ASN A 514 -5.991 -12.090 2.728 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.675 -12.054 0.590 1.00 0.00 N ATOM 0 H ASN A 514 -7.825 -7.729 2.078 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.422 -9.607 3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.311 -10.491 2.596 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.681 -9.838 1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -6.177 -12.917 0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -7.212 -11.576 -0.134 1.00 0.00 H new ATOM 118 N LEU A 515 -5.136 -8.018 1.321 1.00 0.00 N ATOM 119 CA LEU A 515 -3.887 -7.707 0.633 1.00 0.00 C ATOM 120 C LEU A 515 -3.070 -6.686 1.421 1.00 0.00 C ATOM 121 O LEU A 515 -2.973 -5.521 1.033 1.00 0.00 O ATOM 122 CB LEU A 515 -4.175 -7.175 -0.773 1.00 0.00 C ATOM 123 CG LEU A 515 -5.098 -8.051 -1.621 1.00 0.00 C ATOM 124 CD1 LEU A 515 -5.421 -7.366 -2.939 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.465 -9.412 -1.866 1.00 0.00 C ATOM 0 H LEU A 515 -5.918 -7.412 1.071 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.305 -8.625 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -4.620 -6.184 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.229 -7.055 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 515 -6.029 -8.199 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.079 -8.004 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -5.917 -6.416 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.499 -7.186 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.136 -10.022 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.518 -9.284 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.286 -9.907 -0.912 1.00 0.00 H new ATOM 137 N HIS A 516 -2.488 -7.132 2.529 1.00 0.00 N ATOM 138 CA HIS A 516 -1.683 -6.259 3.378 1.00 0.00 C ATOM 139 C HIS A 516 -0.300 -6.005 2.776 1.00 0.00 C ATOM 140 O HIS A 516 0.466 -5.191 3.292 1.00 0.00 O ATOM 141 CB HIS A 516 -1.536 -6.870 4.773 1.00 0.00 C ATOM 142 CG HIS A 516 -1.463 -5.852 5.868 1.00 0.00 C ATOM 143 ND1 HIS A 516 -2.348 -5.818 6.925 1.00 0.00 N ATOM 144 CD2 HIS A 516 -0.600 -4.827 6.069 1.00 0.00 C ATOM 145 CE1 HIS A 516 -2.034 -4.816 7.728 1.00 0.00 C ATOM 146 NE2 HIS A 516 -0.977 -4.201 7.232 1.00 0.00 N ATOM 0 H HIS A 516 -2.558 -8.094 2.861 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.200 -5.302 3.451 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.380 -7.534 4.961 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.636 -7.484 4.799 1.00 0.00 H new ATOM 0 HD2 HIS A 516 0.229 -4.553 5.434 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -2.554 -4.547 8.635 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -0.515 -3.391 7.646 1.00 0.00 H new ATOM 155 N TYR A 517 0.022 -6.707 1.691 1.00 0.00 N ATOM 156 CA TYR A 517 1.318 -6.551 1.041 1.00 0.00 C ATOM 157 C TYR A 517 1.312 -5.388 0.051 1.00 0.00 C ATOM 158 O TYR A 517 2.207 -4.542 0.070 1.00 0.00 O ATOM 159 CB TYR A 517 1.707 -7.843 0.321 1.00 0.00 C ATOM 160 CG TYR A 517 1.889 -9.023 1.249 1.00 0.00 C ATOM 161 CD1 TYR A 517 2.796 -8.970 2.300 1.00 0.00 C ATOM 162 CD2 TYR A 517 1.155 -10.190 1.074 1.00 0.00 C ATOM 163 CE1 TYR A 517 2.966 -10.045 3.150 1.00 0.00 C ATOM 164 CE2 TYR A 517 1.319 -11.269 1.921 1.00 0.00 C ATOM 165 CZ TYR A 517 2.225 -11.192 2.957 1.00 0.00 C ATOM 166 OH TYR A 517 2.392 -12.265 3.802 1.00 0.00 O ATOM 0 H TYR A 517 -0.595 -7.386 1.246 1.00 0.00 H new ATOM 0 HA TYR A 517 2.053 -6.332 1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.939 -8.085 -0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.634 -7.678 -0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 517 3.378 -8.073 2.455 1.00 0.00 H new ATOM 0 HD2 TYR A 517 0.445 -10.254 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 517 3.676 -9.988 3.962 1.00 0.00 H new ATOM 0 HE2 TYR A 517 0.740 -12.169 1.772 1.00 0.00 H new ATOM 0 HH TYR A 517 1.794 -12.992 3.529 1.00 0.00 H new ATOM 176 N TRP A 518 0.308 -5.355 -0.819 1.00 0.00 N ATOM 177 CA TRP A 518 0.201 -4.301 -1.824 1.00 0.00 C ATOM 178 C TRP A 518 -0.569 -3.089 -1.299 1.00 0.00 C ATOM 179 O TRP A 518 -0.568 -2.034 -1.928 1.00 0.00 O ATOM 180 CB TRP A 518 -0.474 -4.840 -3.086 1.00 0.00 C ATOM 181 CG TRP A 518 0.475 -5.547 -4.005 1.00 0.00 C ATOM 182 CD1 TRP A 518 1.419 -4.975 -4.808 1.00 0.00 C ATOM 183 CD2 TRP A 518 0.572 -6.961 -4.215 1.00 0.00 C ATOM 184 NE1 TRP A 518 2.097 -5.945 -5.505 1.00 0.00 N ATOM 185 CE2 TRP A 518 1.596 -7.172 -5.159 1.00 0.00 C ATOM 186 CE3 TRP A 518 -0.106 -8.068 -3.698 1.00 0.00 C ATOM 187 CZ2 TRP A 518 1.956 -8.445 -5.594 1.00 0.00 C ATOM 188 CZ3 TRP A 518 0.253 -9.331 -4.131 1.00 0.00 C ATOM 189 CH2 TRP A 518 1.276 -9.510 -5.071 1.00 0.00 C ATOM 0 H TRP A 518 -0.443 -6.045 -0.849 1.00 0.00 H new ATOM 0 HA TRP A 518 1.213 -3.974 -2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.271 -5.526 -2.799 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -0.941 -4.014 -3.622 1.00 0.00 H new ATOM 0 HD1 TRP A 518 1.606 -3.914 -4.884 1.00 0.00 H new ATOM 0 HE1 TRP A 518 2.851 -5.779 -6.172 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -0.896 -7.939 -2.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 2.744 -8.586 -6.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -0.264 -10.194 -3.738 1.00 0.00 H new ATOM 0 HH2 TRP A 518 1.533 -10.510 -5.389 1.00 0.00 H new ATOM 200 N THR A 519 -1.218 -3.243 -0.148 1.00 0.00 N ATOM 201 CA THR A 519 -1.985 -2.154 0.455 1.00 0.00 C ATOM 202 C THR A 519 -3.044 -1.623 -0.519 1.00 0.00 C ATOM 203 O THR A 519 -4.219 -1.974 -0.415 1.00 0.00 O ATOM 204 CB THR A 519 -1.045 -1.028 0.924 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.810 -0.088 -0.109 1.00 0.00 O ATOM 206 CG2 THR A 519 0.304 -1.535 1.389 1.00 0.00 C ATOM 0 H THR A 519 -1.229 -4.111 0.387 1.00 0.00 H new ATOM 0 HA THR A 519 -2.507 -2.545 1.328 1.00 0.00 H new ATOM 0 HB THR A 519 -1.561 -0.563 1.764 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.945 0.819 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.919 -0.693 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 519 0.167 -2.220 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.798 -2.057 0.570 1.00 0.00 H new ATOM 214 N THR A 520 -2.626 -0.793 -1.471 1.00 0.00 N ATOM 215 CA THR A 520 -3.539 -0.234 -2.461 1.00 0.00 C ATOM 216 C THR A 520 -2.765 0.682 -3.398 1.00 0.00 C ATOM 217 O THR A 520 -2.646 0.411 -4.593 1.00 0.00 O ATOM 218 CB THR A 520 -4.674 0.534 -1.774 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.731 -0.340 -1.423 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.258 1.634 -2.632 1.00 0.00 C ATOM 0 H THR A 520 -1.657 -0.492 -1.577 1.00 0.00 H new ATOM 0 HA THR A 520 -3.984 -1.045 -3.038 1.00 0.00 H new ATOM 0 HB THR A 520 -4.222 0.984 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.361 -1.184 -1.091 1.00 0.00 H new ATOM 0 HG21 THR A 520 -6.056 2.137 -2.086 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.479 2.354 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.661 1.205 -3.549 1.00 0.00 H new ATOM 228 N GLN A 521 -2.205 1.745 -2.835 1.00 0.00 N ATOM 229 CA GLN A 521 -1.399 2.673 -3.610 1.00 0.00 C ATOM 230 C GLN A 521 -0.060 2.032 -3.913 1.00 0.00 C ATOM 231 O GLN A 521 0.706 2.517 -4.746 1.00 0.00 O ATOM 232 CB GLN A 521 -1.207 3.989 -2.857 1.00 0.00 C ATOM 233 CG GLN A 521 -2.490 4.786 -2.685 1.00 0.00 C ATOM 234 CD GLN A 521 -2.316 6.252 -3.027 1.00 0.00 C ATOM 235 OE1 GLN A 521 -2.152 7.082 -2.004 1.00 0.00 O flip ATOM 236 NE2 GLN A 521 -2.331 6.635 -4.197 1.00 0.00 N flip ATOM 0 H GLN A 521 -2.295 1.984 -1.847 1.00 0.00 H new ATOM 0 HA GLN A 521 -1.913 2.900 -4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -0.787 3.777 -1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.479 4.600 -3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -3.267 4.359 -3.319 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -2.834 4.695 -1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -2.460 5.962 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -2.214 7.625 -4.411 1.00 0.00 H new ATOM 245 N ASP A 522 0.206 0.922 -3.233 1.00 0.00 N ATOM 246 CA ASP A 522 1.435 0.193 -3.426 1.00 0.00 C ATOM 247 C ASP A 522 1.250 -0.923 -4.454 1.00 0.00 C ATOM 248 O ASP A 522 2.218 -1.539 -4.900 1.00 0.00 O ATOM 249 CB ASP A 522 1.943 -0.375 -2.102 1.00 0.00 C ATOM 250 CG ASP A 522 2.652 0.670 -1.265 1.00 0.00 C ATOM 251 OD1 ASP A 522 3.588 1.312 -1.786 1.00 0.00 O ATOM 252 OD2 ASP A 522 2.271 0.848 -0.090 1.00 0.00 O ATOM 0 H ASP A 522 -0.423 0.513 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 522 2.182 0.888 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.104 -0.782 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 522 2.624 -1.202 -2.301 1.00 0.00 H new ATOM 257 N GLU A 523 -0.004 -1.182 -4.822 1.00 0.00 N ATOM 258 CA GLU A 523 -0.327 -2.223 -5.792 1.00 0.00 C ATOM 259 C GLU A 523 0.603 -2.168 -7.004 1.00 0.00 C ATOM 260 O GLU A 523 0.837 -3.181 -7.663 1.00 0.00 O ATOM 261 CB GLU A 523 -1.784 -2.079 -6.243 1.00 0.00 C ATOM 262 CG GLU A 523 -2.025 -0.902 -7.177 1.00 0.00 C ATOM 263 CD GLU A 523 -3.448 -0.857 -7.701 1.00 0.00 C ATOM 264 OE1 GLU A 523 -3.902 -1.869 -8.274 1.00 0.00 O ATOM 265 OE2 GLU A 523 -4.108 0.191 -7.538 1.00 0.00 O ATOM 0 H GLU A 523 -0.816 -0.681 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.188 -3.190 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.092 -2.997 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.418 -1.968 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -1.806 0.027 -6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.334 -0.962 -8.018 1.00 0.00 H new ATOM 272 N GLY A 524 1.133 -0.983 -7.290 1.00 0.00 N ATOM 273 CA GLY A 524 2.030 -0.828 -8.418 1.00 0.00 C ATOM 274 C GLY A 524 1.915 0.537 -9.059 1.00 0.00 C ATOM 275 O GLY A 524 1.918 0.656 -10.285 1.00 0.00 O ATOM 0 H GLY A 524 0.957 -0.129 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 524 3.057 -0.987 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.812 -1.595 -9.161 1.00 0.00 H new ATOM 279 N ALA A 525 1.803 1.571 -8.232 1.00 0.00 N ATOM 280 CA ALA A 525 1.674 2.933 -8.735 1.00 0.00 C ATOM 281 C ALA A 525 2.991 3.696 -8.657 1.00 0.00 C ATOM 282 O ALA A 525 3.523 4.136 -9.676 1.00 0.00 O ATOM 283 CB ALA A 525 0.585 3.675 -7.974 1.00 0.00 C ATOM 0 H ALA A 525 1.799 1.492 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 525 1.396 2.870 -9.787 1.00 0.00 H new ATOM 0 HB1 ALA A 525 0.499 4.691 -8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.366 3.157 -8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.840 3.709 -6.915 1.00 0.00 H new ATOM 289 N ALA A 526 3.517 3.848 -7.448 1.00 0.00 N ATOM 290 CA ALA A 526 4.775 4.557 -7.248 1.00 0.00 C ATOM 291 C ALA A 526 5.698 3.742 -6.368 1.00 0.00 C ATOM 292 O ALA A 526 6.421 4.274 -5.527 1.00 0.00 O ATOM 293 CB ALA A 526 4.527 5.930 -6.643 1.00 0.00 C ATOM 0 H ALA A 526 3.093 3.490 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 526 5.254 4.697 -8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 526 5.479 6.443 -6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.896 6.514 -7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.028 5.819 -5.680 1.00 0.00 H new ATOM 299 N ILE A 527 5.641 2.438 -6.565 1.00 0.00 N ATOM 300 CA ILE A 527 6.438 1.508 -5.796 1.00 0.00 C ATOM 301 C ILE A 527 7.735 1.119 -6.502 1.00 0.00 C ATOM 302 O ILE A 527 8.523 0.333 -5.976 1.00 0.00 O ATOM 303 CB ILE A 527 5.612 0.257 -5.468 1.00 0.00 C ATOM 304 CG1 ILE A 527 5.029 -0.369 -6.744 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.492 0.649 -4.524 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.071 -0.946 -7.677 1.00 0.00 C ATOM 0 H ILE A 527 5.041 1.997 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 527 6.722 2.013 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 527 6.258 -0.485 -4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.331 -1.158 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.456 0.388 -7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 527 3.896 -0.231 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.916 1.064 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.858 1.396 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.580 -1.369 -8.554 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.756 -0.158 -7.989 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.628 -1.728 -7.161 1.00 0.00 H new ATOM 318 N GLY A 528 7.948 1.663 -7.694 1.00 0.00 N ATOM 319 CA GLY A 528 9.145 1.348 -8.452 1.00 0.00 C ATOM 320 C GLY A 528 10.439 1.722 -7.746 1.00 0.00 C ATOM 321 O GLY A 528 11.520 1.340 -8.195 1.00 0.00 O ATOM 0 H GLY A 528 7.313 2.318 -8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 528 9.156 0.280 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 528 9.103 1.866 -9.410 1.00 0.00 H new ATOM 325 N LEU A 529 10.348 2.471 -6.647 1.00 0.00 N ATOM 326 CA LEU A 529 11.543 2.880 -5.917 1.00 0.00 C ATOM 327 C LEU A 529 11.800 1.977 -4.714 1.00 0.00 C ATOM 328 O LEU A 529 12.948 1.736 -4.341 1.00 0.00 O ATOM 329 CB LEU A 529 11.410 4.332 -5.456 1.00 0.00 C ATOM 330 CG LEU A 529 10.099 4.669 -4.742 1.00 0.00 C ATOM 331 CD1 LEU A 529 10.362 5.517 -3.506 1.00 0.00 C ATOM 332 CD2 LEU A 529 9.146 5.386 -5.688 1.00 0.00 C ATOM 0 H LEU A 529 9.470 2.802 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 529 12.392 2.791 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.239 4.562 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.511 4.983 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 529 9.633 3.736 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 529 9.417 5.745 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 529 11.006 4.968 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 529 10.852 6.446 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 529 8.219 5.618 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 529 9.607 6.310 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 529 8.929 4.744 -6.542 1.00 0.00 H new ATOM 344 N ALA A 530 10.726 1.499 -4.099 1.00 0.00 N ATOM 345 CA ALA A 530 10.835 0.642 -2.923 1.00 0.00 C ATOM 346 C ALA A 530 10.575 -0.825 -3.239 1.00 0.00 C ATOM 347 O ALA A 530 10.584 -1.666 -2.340 1.00 0.00 O ATOM 348 CB ALA A 530 9.862 1.102 -1.863 1.00 0.00 C ATOM 0 H ALA A 530 9.768 1.690 -4.394 1.00 0.00 H new ATOM 0 HA ALA A 530 11.861 0.724 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 530 9.947 0.459 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.090 2.130 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.846 1.049 -2.254 1.00 0.00 H new ATOM 354 N TRP A 531 10.325 -1.137 -4.501 1.00 0.00 N ATOM 355 CA TRP A 531 10.044 -2.511 -4.898 1.00 0.00 C ATOM 356 C TRP A 531 11.287 -3.399 -4.829 1.00 0.00 C ATOM 357 O TRP A 531 11.408 -4.365 -5.582 1.00 0.00 O ATOM 358 CB TRP A 531 9.444 -2.531 -6.301 1.00 0.00 C ATOM 359 CG TRP A 531 10.424 -2.189 -7.383 1.00 0.00 C ATOM 360 CD1 TRP A 531 11.615 -1.539 -7.238 1.00 0.00 C ATOM 361 CD2 TRP A 531 10.292 -2.479 -8.779 1.00 0.00 C ATOM 362 NE1 TRP A 531 12.233 -1.407 -8.458 1.00 0.00 N ATOM 363 CE2 TRP A 531 11.440 -1.976 -9.420 1.00 0.00 C ATOM 364 CE3 TRP A 531 9.315 -3.116 -9.550 1.00 0.00 C ATOM 365 CZ2 TRP A 531 11.637 -2.091 -10.794 1.00 0.00 C ATOM 366 CZ3 TRP A 531 9.511 -3.229 -10.914 1.00 0.00 C ATOM 367 CH2 TRP A 531 10.665 -2.719 -11.523 1.00 0.00 C ATOM 0 H TRP A 531 10.310 -0.462 -5.266 1.00 0.00 H new ATOM 0 HA TRP A 531 9.324 -2.921 -4.190 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.033 -3.521 -6.496 1.00 0.00 H new ATOM 0 HB3 TRP A 531 8.613 -1.827 -6.341 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.014 -1.180 -6.301 1.00 0.00 H new ATOM 0 HE1 TRP A 531 13.135 -0.959 -8.621 1.00 0.00 H new ATOM 0 HE3 TRP A 531 8.423 -3.513 -9.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 12.525 -1.698 -11.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 8.763 -3.718 -11.520 1.00 0.00 H new ATOM 0 HH2 TRP A 531 10.790 -2.824 -12.591 1.00 0.00 H new ATOM 378 N ILE A 532 12.198 -3.078 -3.911 1.00 0.00 N ATOM 379 CA ILE A 532 13.419 -3.850 -3.731 1.00 0.00 C ATOM 380 C ILE A 532 14.031 -3.570 -2.359 1.00 0.00 C ATOM 381 O ILE A 532 15.021 -2.848 -2.251 1.00 0.00 O ATOM 382 CB ILE A 532 14.459 -3.526 -4.821 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.747 -2.022 -4.854 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.976 -4.010 -6.180 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.214 -1.685 -4.700 1.00 0.00 C ATOM 0 H ILE A 532 12.109 -2.283 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 532 13.149 -4.903 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 532 15.385 -4.048 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.385 -1.611 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.185 -1.535 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.723 -3.773 -6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.821 -5.089 -6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 532 13.037 -3.516 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.344 -0.603 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.576 -2.065 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.780 -2.143 -5.511 1.00 0.00 H new ATOM 397 N PRO A 533 13.435 -4.136 -1.289 1.00 0.00 N ATOM 398 CA PRO A 533 13.901 -3.951 0.089 1.00 0.00 C ATOM 399 C PRO A 533 15.424 -3.890 0.212 1.00 0.00 C ATOM 400 O PRO A 533 16.077 -4.903 0.466 1.00 0.00 O ATOM 401 CB PRO A 533 13.361 -5.193 0.791 1.00 0.00 C ATOM 402 CG PRO A 533 12.095 -5.521 0.069 1.00 0.00 C ATOM 403 CD PRO A 533 12.240 -5.000 -1.342 1.00 0.00 C ATOM 0 HA PRO A 533 13.560 -3.004 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 533 14.072 -6.018 0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 533 13.175 -5.000 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 533 11.921 -6.597 0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.239 -5.061 0.563 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.369 -5.814 -2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.358 -4.440 -1.652 1.00 0.00 H new ATOM 411 N TYR A 534 15.981 -2.696 0.030 1.00 0.00 N ATOM 412 CA TYR A 534 17.422 -2.498 0.119 1.00 0.00 C ATOM 413 C TYR A 534 17.828 -1.993 1.504 1.00 0.00 C ATOM 414 O TYR A 534 18.750 -2.523 2.123 1.00 0.00 O ATOM 415 CB TYR A 534 17.887 -1.510 -0.953 1.00 0.00 C ATOM 416 CG TYR A 534 19.148 -1.940 -1.668 1.00 0.00 C ATOM 417 CD1 TYR A 534 19.090 -2.770 -2.781 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.396 -1.517 -1.230 1.00 0.00 C ATOM 419 CE1 TYR A 534 20.240 -3.165 -3.437 1.00 0.00 C ATOM 420 CE2 TYR A 534 21.551 -1.907 -1.881 1.00 0.00 C ATOM 421 CZ TYR A 534 21.468 -2.731 -2.984 1.00 0.00 C ATOM 422 OH TYR A 534 22.615 -3.121 -3.634 1.00 0.00 O ATOM 0 H TYR A 534 15.453 -1.849 -0.181 1.00 0.00 H new ATOM 0 HA TYR A 534 17.903 -3.462 -0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.090 -1.380 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 534 18.056 -0.538 -0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 534 18.130 -3.112 -3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 534 20.465 -0.872 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 534 20.177 -3.811 -4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 534 22.514 -1.568 -1.528 1.00 0.00 H new ATOM 0 HH TYR A 534 23.394 -2.727 -3.188 1.00 0.00 H new ATOM 432 N PHE A 535 17.140 -0.956 1.973 1.00 0.00 N ATOM 433 CA PHE A 535 17.432 -0.364 3.275 1.00 0.00 C ATOM 434 C PHE A 535 17.324 -1.394 4.396 1.00 0.00 C ATOM 435 O PHE A 535 18.073 -1.344 5.370 1.00 0.00 O ATOM 436 CB PHE A 535 16.482 0.804 3.547 1.00 0.00 C ATOM 437 CG PHE A 535 17.179 2.045 4.031 1.00 0.00 C ATOM 438 CD1 PHE A 535 17.819 2.060 5.259 1.00 0.00 C ATOM 439 CD2 PHE A 535 17.192 3.194 3.257 1.00 0.00 C ATOM 440 CE1 PHE A 535 18.461 3.200 5.708 1.00 0.00 C ATOM 441 CE2 PHE A 535 17.832 4.336 3.699 1.00 0.00 C ATOM 442 CZ PHE A 535 18.467 4.339 4.926 1.00 0.00 C ATOM 0 H PHE A 535 16.375 -0.507 1.470 1.00 0.00 H new ATOM 0 HA PHE A 535 18.459 0.001 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 535 15.935 1.037 2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 535 15.746 0.497 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 535 17.817 1.172 5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 535 16.696 3.197 2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 535 18.956 3.200 6.668 1.00 0.00 H new ATOM 0 HE2 PHE A 535 17.836 5.225 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 535 18.968 5.231 5.273 1.00 0.00 H new ATOM 452 N GLY A 536 16.387 -2.325 4.254 1.00 0.00 N ATOM 453 CA GLY A 536 16.203 -3.347 5.267 1.00 0.00 C ATOM 454 C GLY A 536 14.745 -3.714 5.464 1.00 0.00 C ATOM 455 O GLY A 536 14.346 -4.845 5.186 1.00 0.00 O ATOM 0 H GLY A 536 15.753 -2.390 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 536 16.764 -4.238 4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 536 16.617 -2.996 6.212 1.00 0.00 H new ATOM 459 N PRO A 537 13.912 -2.770 5.939 1.00 0.00 N ATOM 460 CA PRO A 537 12.487 -3.014 6.158 1.00 0.00 C ATOM 461 C PRO A 537 11.787 -3.436 4.880 1.00 0.00 C ATOM 462 O PRO A 537 12.431 -3.789 3.893 1.00 0.00 O ATOM 463 CB PRO A 537 11.949 -1.661 6.644 1.00 0.00 C ATOM 464 CG PRO A 537 12.980 -0.665 6.239 1.00 0.00 C ATOM 465 CD PRO A 537 14.290 -1.394 6.288 1.00 0.00 C ATOM 0 HA PRO A 537 12.316 -3.823 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 537 10.983 -1.435 6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 537 11.803 -1.660 7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 537 12.782 -0.282 5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 537 12.983 0.192 6.913 1.00 0.00 H new ATOM 0 HD2 PRO A 537 15.009 -0.981 5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 537 14.747 -1.339 7.276 1.00 0.00 H new ATOM 473 N ALA A 538 10.465 -3.391 4.901 1.00 0.00 N ATOM 474 CA ALA A 538 9.683 -3.764 3.734 1.00 0.00 C ATOM 475 C ALA A 538 9.995 -2.836 2.572 1.00 0.00 C ATOM 476 O ALA A 538 10.304 -3.288 1.470 1.00 0.00 O ATOM 477 CB ALA A 538 8.195 -3.736 4.049 1.00 0.00 C ATOM 0 H ALA A 538 9.913 -3.102 5.709 1.00 0.00 H new ATOM 0 HA ALA A 538 9.953 -4.782 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 538 7.630 -4.019 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 538 7.980 -4.438 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 538 7.907 -2.731 4.358 1.00 0.00 H new ATOM 483 N ALA A 539 9.921 -1.533 2.831 1.00 0.00 N ATOM 484 CA ALA A 539 10.201 -0.520 1.809 1.00 0.00 C ATOM 485 C ALA A 539 9.137 -0.511 0.724 1.00 0.00 C ATOM 486 O ALA A 539 8.553 0.526 0.412 1.00 0.00 O ATOM 487 CB ALA A 539 11.552 -0.771 1.175 1.00 0.00 C ATOM 0 H ALA A 539 9.669 -1.150 3.742 1.00 0.00 H new ATOM 0 HA ALA A 539 10.199 0.450 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.746 -0.011 0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.327 -0.727 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.558 -1.756 0.709 1.00 0.00 H new ATOM 493 N GLU A 540 8.911 -1.684 0.151 1.00 0.00 N ATOM 494 CA GLU A 540 7.939 -1.884 -0.919 1.00 0.00 C ATOM 495 C GLU A 540 6.681 -1.035 -0.720 1.00 0.00 C ATOM 496 O GLU A 540 6.021 -0.659 -1.689 1.00 0.00 O ATOM 497 CB GLU A 540 7.578 -3.364 -0.979 1.00 0.00 C ATOM 498 CG GLU A 540 8.308 -4.130 -2.071 1.00 0.00 C ATOM 499 CD GLU A 540 7.468 -4.313 -3.322 1.00 0.00 C ATOM 500 OE1 GLU A 540 6.251 -4.037 -3.267 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.029 -4.734 -4.355 1.00 0.00 O ATOM 0 H GLU A 540 9.403 -2.536 0.418 1.00 0.00 H new ATOM 0 HA GLU A 540 8.387 -1.565 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.801 -3.822 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.504 -3.460 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 540 9.225 -3.601 -2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 540 8.601 -5.108 -1.689 1.00 0.00 H new ATOM 508 N GLY A 541 6.362 -0.728 0.533 1.00 0.00 N ATOM 509 CA GLY A 541 5.199 0.087 0.822 1.00 0.00 C ATOM 510 C GLY A 541 5.549 1.310 1.648 1.00 0.00 C ATOM 511 O GLY A 541 5.126 2.423 1.337 1.00 0.00 O ATOM 0 H GLY A 541 6.889 -1.030 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.737 0.402 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.461 -0.512 1.356 1.00 0.00 H new ATOM 515 N ILE A 542 6.322 1.097 2.705 1.00 0.00 N ATOM 516 CA ILE A 542 6.733 2.180 3.596 1.00 0.00 C ATOM 517 C ILE A 542 7.777 3.095 2.955 1.00 0.00 C ATOM 518 O ILE A 542 7.919 4.251 3.354 1.00 0.00 O ATOM 519 CB ILE A 542 7.296 1.638 4.926 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.366 0.572 4.672 1.00 0.00 C ATOM 521 CG2 ILE A 542 6.173 1.071 5.782 1.00 0.00 C ATOM 522 CD1 ILE A 542 9.766 1.131 4.540 1.00 0.00 C ATOM 0 H ILE A 542 6.680 0.179 2.969 1.00 0.00 H new ATOM 0 HA ILE A 542 5.832 2.761 3.792 1.00 0.00 H new ATOM 0 HB ILE A 542 7.762 2.465 5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.348 -0.149 5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.115 0.028 3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.584 0.692 6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.447 1.855 5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 542 5.682 0.259 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.468 0.316 4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 542 9.801 1.830 3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.039 1.650 5.459 1.00 0.00 H new ATOM 534 N TYR A 543 8.503 2.587 1.962 1.00 0.00 N ATOM 535 CA TYR A 543 9.521 3.385 1.284 1.00 0.00 C ATOM 536 C TYR A 543 9.096 3.697 -0.147 1.00 0.00 C ATOM 537 O TYR A 543 9.736 4.486 -0.842 1.00 0.00 O ATOM 538 CB TYR A 543 10.865 2.654 1.293 1.00 0.00 C ATOM 539 CG TYR A 543 11.983 3.429 0.631 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.606 4.482 1.289 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.415 3.107 -0.649 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.629 5.192 0.688 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.437 3.813 -1.257 1.00 0.00 C ATOM 544 CZ TYR A 543 14.040 4.854 -0.584 1.00 0.00 C ATOM 545 OH TYR A 543 15.058 5.558 -1.184 1.00 0.00 O ATOM 0 H TYR A 543 8.407 1.634 1.611 1.00 0.00 H new ATOM 0 HA TYR A 543 9.633 4.326 1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 543 11.145 2.439 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.751 1.695 0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 543 12.286 4.750 2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.945 2.292 -1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 543 14.104 6.008 1.213 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.761 3.550 -2.253 1.00 0.00 H new ATOM 0 HH TYR A 543 15.226 5.192 -2.078 1.00 0.00 H new ATOM 555 N ALA A 544 8.003 3.075 -0.574 1.00 0.00 N ATOM 556 CA ALA A 544 7.465 3.277 -1.908 1.00 0.00 C ATOM 557 C ALA A 544 6.252 4.191 -1.847 1.00 0.00 C ATOM 558 O ALA A 544 5.987 4.963 -2.770 1.00 0.00 O ATOM 559 CB ALA A 544 7.088 1.936 -2.507 1.00 0.00 C ATOM 0 H ALA A 544 7.468 2.419 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 544 8.220 3.748 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.684 2.085 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.972 1.301 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.336 1.456 -1.880 1.00 0.00 H new ATOM 565 N GLU A 545 5.512 4.089 -0.746 1.00 0.00 N ATOM 566 CA GLU A 545 4.316 4.898 -0.549 1.00 0.00 C ATOM 567 C GLU A 545 4.454 5.798 0.675 1.00 0.00 C ATOM 568 O GLU A 545 3.928 6.910 0.705 1.00 0.00 O ATOM 569 CB GLU A 545 3.108 3.983 -0.373 1.00 0.00 C ATOM 570 CG GLU A 545 1.815 4.732 -0.100 1.00 0.00 C ATOM 571 CD GLU A 545 1.164 5.238 -1.372 1.00 0.00 C ATOM 572 OE1 GLU A 545 1.524 4.743 -2.461 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.295 6.129 -1.282 1.00 0.00 O ATOM 0 H GLU A 545 5.721 3.453 0.023 1.00 0.00 H new ATOM 0 HA GLU A 545 4.182 5.531 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.986 3.379 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.300 3.295 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 545 1.121 4.075 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 545 2.018 5.574 0.561 1.00 0.00 H new ATOM 580 N GLY A 546 5.173 5.304 1.675 1.00 0.00 N ATOM 581 CA GLY A 546 5.394 6.051 2.900 1.00 0.00 C ATOM 582 C GLY A 546 4.187 6.849 3.363 1.00 0.00 C ATOM 583 O GLY A 546 4.342 7.957 3.877 1.00 0.00 O ATOM 0 H GLY A 546 5.614 4.384 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.683 5.357 3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.232 6.732 2.752 1.00 0.00 H new ATOM 587 N LEU A 547 2.980 6.300 3.200 1.00 0.00 N ATOM 588 CA LEU A 547 1.786 7.015 3.636 1.00 0.00 C ATOM 589 C LEU A 547 0.526 6.142 3.581 1.00 0.00 C ATOM 590 O LEU A 547 -0.097 5.887 4.610 1.00 0.00 O ATOM 591 CB LEU A 547 1.640 8.305 2.806 1.00 0.00 C ATOM 592 CG LEU A 547 0.329 8.498 2.028 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.143 9.940 2.133 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.520 8.107 0.571 1.00 0.00 C ATOM 0 H LEU A 547 2.809 5.386 2.780 1.00 0.00 H new ATOM 0 HA LEU A 547 1.903 7.282 4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.761 9.154 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.464 8.343 2.093 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.434 7.853 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.073 10.060 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.312 10.192 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.616 10.603 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.416 8.248 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.294 8.731 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.819 7.061 0.511 1.00 0.00 H new ATOM 606 N MET A 548 0.158 5.682 2.392 1.00 0.00 N ATOM 607 CA MET A 548 -1.024 4.837 2.240 1.00 0.00 C ATOM 608 C MET A 548 -0.645 3.359 2.224 1.00 0.00 C ATOM 609 O MET A 548 -1.469 2.502 1.907 1.00 0.00 O ATOM 610 CB MET A 548 -1.785 5.196 0.962 1.00 0.00 C ATOM 611 CG MET A 548 -3.069 5.974 1.212 1.00 0.00 C ATOM 612 SD MET A 548 -2.808 7.758 1.257 1.00 0.00 S ATOM 613 CE MET A 548 -4.227 8.284 2.214 1.00 0.00 C ATOM 0 H MET A 548 0.656 5.877 1.523 1.00 0.00 H new ATOM 0 HA MET A 548 -1.672 5.017 3.098 1.00 0.00 H new ATOM 0 HB2 MET A 548 -1.134 5.785 0.315 1.00 0.00 H new ATOM 0 HB3 MET A 548 -2.025 4.279 0.423 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.790 5.737 0.430 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.506 5.651 2.157 1.00 0.00 H new ATOM 0 HE1 MET A 548 -4.207 9.368 2.329 1.00 0.00 H new ATOM 0 HE2 MET A 548 -5.142 7.990 1.699 1.00 0.00 H new ATOM 0 HE3 MET A 548 -4.197 7.814 3.197 1.00 0.00 H new ATOM 623 N HIS A 549 0.601 3.065 2.575 1.00 0.00 N ATOM 624 CA HIS A 549 1.078 1.692 2.607 1.00 0.00 C ATOM 625 C HIS A 549 0.316 0.874 3.648 1.00 0.00 C ATOM 626 O HIS A 549 0.446 -0.347 3.706 1.00 0.00 O ATOM 627 CB HIS A 549 2.577 1.657 2.912 1.00 0.00 C ATOM 628 CG HIS A 549 2.927 2.206 4.260 1.00 0.00 C ATOM 629 ND1 HIS A 549 3.670 3.355 4.434 1.00 0.00 N ATOM 630 CD2 HIS A 549 2.634 1.758 5.504 1.00 0.00 C ATOM 631 CE1 HIS A 549 3.820 3.588 5.726 1.00 0.00 C ATOM 632 NE2 HIS A 549 3.200 2.636 6.396 1.00 0.00 N ATOM 0 H HIS A 549 1.298 3.761 2.841 1.00 0.00 H new ATOM 0 HA HIS A 549 0.903 1.251 1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 549 2.929 0.627 2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 549 3.108 2.225 2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 549 2.062 0.875 5.749 1.00 0.00 H new ATOM 0 HE1 HIS A 549 4.359 4.417 6.160 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.149 2.563 7.412 1.00 0.00 H new ATOM 641 N ASN A 550 -0.459 1.552 4.486 1.00 0.00 N ATOM 642 CA ASN A 550 -1.212 0.875 5.529 1.00 0.00 C ATOM 643 C ASN A 550 -2.646 0.580 5.104 1.00 0.00 C ATOM 644 O ASN A 550 -3.217 -0.438 5.496 1.00 0.00 O ATOM 645 CB ASN A 550 -1.210 1.721 6.801 1.00 0.00 C ATOM 646 CG ASN A 550 0.017 1.475 7.658 1.00 0.00 C ATOM 647 OD1 ASN A 550 0.447 0.335 7.834 1.00 0.00 O ATOM 648 ND2 ASN A 550 0.589 2.546 8.195 1.00 0.00 N ATOM 0 H ASN A 550 -0.581 2.564 4.463 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.724 -0.081 5.718 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -1.256 2.776 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.106 1.501 7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.418 2.442 8.780 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.199 3.473 8.023 1.00 0.00 H new ATOM 655 N GLN A 551 -3.227 1.469 4.312 1.00 0.00 N ATOM 656 CA GLN A 551 -4.598 1.289 3.846 1.00 0.00 C ATOM 657 C GLN A 551 -4.691 0.092 2.906 1.00 0.00 C ATOM 658 O GLN A 551 -4.858 0.247 1.696 1.00 0.00 O ATOM 659 CB GLN A 551 -5.101 2.552 3.146 1.00 0.00 C ATOM 660 CG GLN A 551 -4.200 3.021 2.018 1.00 0.00 C ATOM 661 CD GLN A 551 -4.976 3.641 0.872 1.00 0.00 C ATOM 662 OE1 GLN A 551 -6.086 4.139 1.058 1.00 0.00 O ATOM 663 NE2 GLN A 551 -4.393 3.613 -0.320 1.00 0.00 N ATOM 0 H GLN A 551 -2.774 2.320 3.978 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.230 1.100 4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -6.099 2.364 2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.195 3.352 3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.488 3.749 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.621 2.176 1.645 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.471 3.189 -0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -4.867 4.015 -1.129 1.00 0.00 H new ATOM 672 N ASP A 552 -4.573 -1.100 3.478 1.00 0.00 N ATOM 673 CA ASP A 552 -4.633 -2.336 2.707 1.00 0.00 C ATOM 674 C ASP A 552 -6.047 -2.903 2.676 1.00 0.00 C ATOM 675 O ASP A 552 -6.236 -4.096 2.448 1.00 0.00 O ATOM 676 CB ASP A 552 -3.674 -3.371 3.295 1.00 0.00 C ATOM 677 CG ASP A 552 -3.988 -3.697 4.741 1.00 0.00 C ATOM 678 OD1 ASP A 552 -5.070 -4.263 5.000 1.00 0.00 O ATOM 679 OD2 ASP A 552 -3.150 -3.387 5.615 1.00 0.00 O ATOM 0 H ASP A 552 -4.434 -1.237 4.479 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.336 -2.105 1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -3.721 -4.284 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -2.653 -2.997 3.224 1.00 0.00 H new ATOM 684 N GLY A 553 -7.036 -2.048 2.913 1.00 0.00 N ATOM 685 CA GLY A 553 -8.418 -2.490 2.916 1.00 0.00 C ATOM 686 C GLY A 553 -9.110 -2.159 4.221 1.00 0.00 C ATOM 687 O GLY A 553 -10.310 -1.886 4.248 1.00 0.00 O ATOM 0 H GLY A 553 -6.905 -1.055 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -8.952 -2.019 2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.456 -3.566 2.747 1.00 0.00 H new ATOM 691 N LEU A 554 -8.341 -2.169 5.303 1.00 0.00 N ATOM 692 CA LEU A 554 -8.867 -1.849 6.624 1.00 0.00 C ATOM 693 C LEU A 554 -9.445 -0.445 6.632 1.00 0.00 C ATOM 694 O LEU A 554 -10.619 -0.235 6.934 1.00 0.00 O ATOM 695 CB LEU A 554 -7.752 -1.937 7.665 1.00 0.00 C ATOM 696 CG LEU A 554 -6.786 -3.113 7.489 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.386 -2.613 7.169 1.00 0.00 C ATOM 698 CD2 LEU A 554 -6.768 -3.985 8.736 1.00 0.00 C ATOM 0 H LEU A 554 -7.347 -2.396 5.291 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.652 -2.565 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.179 -1.010 7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.205 -2.005 8.654 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.135 -3.718 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -4.715 -3.463 7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.409 -2.034 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.030 -1.983 7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -6.076 -4.814 8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -6.447 -3.390 9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -7.769 -4.376 8.921 1.00 0.00 H new ATOM 710 N ILE A 555 -8.594 0.510 6.290 1.00 0.00 N ATOM 711 CA ILE A 555 -8.969 1.908 6.238 1.00 0.00 C ATOM 712 C ILE A 555 -9.872 2.181 5.037 1.00 0.00 C ATOM 713 O ILE A 555 -9.514 2.924 4.122 1.00 0.00 O ATOM 714 CB ILE A 555 -7.701 2.776 6.157 1.00 0.00 C ATOM 715 CG1 ILE A 555 -6.831 2.599 7.413 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.042 4.244 5.945 1.00 0.00 C ATOM 717 CD1 ILE A 555 -7.599 2.200 8.657 1.00 0.00 C ATOM 0 H ILE A 555 -7.621 0.333 6.040 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.523 2.159 7.143 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.130 2.438 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.073 1.842 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.305 3.533 7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.123 4.827 5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.597 4.358 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.651 4.600 6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.908 2.097 9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.339 2.966 8.889 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.103 1.249 8.484 1.00 0.00 H new ATOM 729 N CYS A 556 -11.044 1.563 5.055 1.00 0.00 N ATOM 730 CA CYS A 556 -12.019 1.716 3.981 1.00 0.00 C ATOM 731 C CYS A 556 -12.631 3.117 3.981 1.00 0.00 C ATOM 732 O CYS A 556 -13.303 3.506 3.026 1.00 0.00 O ATOM 733 CB CYS A 556 -13.124 0.666 4.124 1.00 0.00 C ATOM 734 SG CYS A 556 -13.352 -0.387 2.654 1.00 0.00 S ATOM 0 H CYS A 556 -11.346 0.945 5.808 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.501 1.572 3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.897 0.031 4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.064 1.172 4.343 1.00 0.00 H new ATOM 739 N GLY A 557 -12.401 3.868 5.055 1.00 0.00 N ATOM 740 CA GLY A 557 -12.945 5.212 5.156 1.00 0.00 C ATOM 741 C GLY A 557 -12.587 6.091 3.970 1.00 0.00 C ATOM 742 O GLY A 557 -13.258 7.088 3.707 1.00 0.00 O ATOM 0 H GLY A 557 -11.847 3.570 5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.030 5.153 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.578 5.678 6.070 1.00 0.00 H new ATOM 746 N LEU A 558 -11.527 5.725 3.256 1.00 0.00 N ATOM 747 CA LEU A 558 -11.080 6.490 2.095 1.00 0.00 C ATOM 748 C LEU A 558 -12.235 6.780 1.139 1.00 0.00 C ATOM 749 O LEU A 558 -12.394 7.905 0.666 1.00 0.00 O ATOM 750 CB LEU A 558 -9.974 5.732 1.358 1.00 0.00 C ATOM 751 CG LEU A 558 -10.288 4.266 1.055 1.00 0.00 C ATOM 752 CD1 LEU A 558 -11.003 4.137 -0.283 1.00 0.00 C ATOM 753 CD2 LEU A 558 -9.012 3.437 1.062 1.00 0.00 C ATOM 0 H LEU A 558 -10.960 4.902 3.461 1.00 0.00 H new ATOM 0 HA LEU A 558 -10.690 7.442 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -9.766 6.245 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -9.063 5.777 1.955 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.950 3.887 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -11.218 3.087 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -11.936 4.699 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -10.367 4.533 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -9.253 2.396 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -8.327 3.817 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.541 3.503 2.043 1.00 0.00 H new ATOM 765 N ARG A 559 -13.033 5.757 0.858 1.00 0.00 N ATOM 766 CA ARG A 559 -14.174 5.892 -0.045 1.00 0.00 C ATOM 767 C ARG A 559 -13.765 6.554 -1.359 1.00 0.00 C ATOM 768 O ARG A 559 -12.593 6.864 -1.572 1.00 0.00 O ATOM 769 CB ARG A 559 -15.288 6.703 0.619 1.00 0.00 C ATOM 770 CG ARG A 559 -16.191 5.873 1.516 1.00 0.00 C ATOM 771 CD ARG A 559 -15.591 5.702 2.901 1.00 0.00 C ATOM 772 NE ARG A 559 -16.418 4.849 3.754 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.635 5.071 5.049 1.00 0.00 C ATOM 774 NH1 ARG A 559 -16.082 6.112 5.661 1.00 0.00 N ATOM 775 NH2 ARG A 559 -17.409 4.243 5.740 1.00 0.00 N ATOM 0 H ARG A 559 -12.912 4.820 1.243 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.542 4.890 -0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -14.841 7.504 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.893 7.175 -0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.166 6.353 1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -16.354 4.894 1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -14.594 5.270 2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -15.475 6.679 3.369 1.00 0.00 H new ATOM 0 HE ARG A 559 -16.857 4.032 3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -15.484 6.752 5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -16.256 6.272 6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -17.836 3.439 5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -17.577 4.410 6.732 1.00 0.00 H new ATOM 789 N GLN A 560 -14.740 6.768 -2.237 1.00 0.00 N ATOM 790 CA GLN A 560 -14.486 7.394 -3.530 1.00 0.00 C ATOM 791 C GLN A 560 -13.394 6.651 -4.295 1.00 0.00 C ATOM 792 O GLN A 560 -13.018 5.542 -3.859 1.00 0.00 O ATOM 793 CB GLN A 560 -14.083 8.857 -3.338 1.00 0.00 C ATOM 794 CG GLN A 560 -15.157 9.700 -2.667 1.00 0.00 C ATOM 795 CD GLN A 560 -14.727 10.226 -1.312 1.00 0.00 C ATOM 796 OE1 GLN A 560 -13.805 11.036 -1.212 1.00 0.00 O ATOM 797 NE2 GLN A 560 -15.396 9.769 -0.260 1.00 0.00 N ATOM 798 OXT GLN A 560 -12.925 7.183 -5.323 1.00 0.00 O ATOM 0 H GLN A 560 -15.715 6.516 -2.076 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.406 7.348 -4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.173 8.899 -2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.846 9.291 -4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -15.411 10.540 -3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -16.061 9.103 -2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.153 9.098 -0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -15.153 10.089 0.677 1.00 0.00 H new TER 807 GLN A 560