USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=9 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+ -176:sc= 0.316 (180deg=0) USER MOD Set 1.2: A 520 THR OG1 : rot 56:sc= 1.45 USER MOD Single : A 508 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 512 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.8!) USER MOD Single : A 514 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 516 HIS :FLIP no HD1:sc= -0.43 F(o=-2,f=-0.43) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot 100:sc= -2! USER MOD Single : A 521 GLN :FLIP amide:sc= -0.154 F(o=-1.8,f=-0.15) 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 :FLIP no HD1:sc= -1.5 F(o=-3!,f=-1.5) USER MOD Single : A 550 ASN : amide:sc=-0.00328 X(o=-0.0033,f=-0.12) USER MOD Single : A 551 GLN : amide:sc= -6.53! C(o=-6.5!,f=-8.5!) USER MOD Single : A 560 GLN : amide:sc= -2.05 X(o=-2,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -16.557 6.738 -3.947 1.00 0.00 N ATOM 2 CA ALA A 507 -15.325 6.128 -4.511 1.00 0.00 C ATOM 3 C ALA A 507 -15.475 4.618 -4.648 1.00 0.00 C ATOM 4 O ALA A 507 -16.442 4.032 -4.160 1.00 0.00 O ATOM 5 CB ALA A 507 -14.125 6.457 -3.636 1.00 0.00 C ATOM 0 HA ALA A 507 -15.166 6.547 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.230 6.004 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -13.996 7.538 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -14.288 6.065 -2.632 1.00 0.00 H new ATOM 13 N GLN A 508 -14.512 3.995 -5.315 1.00 0.00 N ATOM 14 CA GLN A 508 -14.531 2.552 -5.517 1.00 0.00 C ATOM 15 C GLN A 508 -13.209 1.922 -5.088 1.00 0.00 C ATOM 16 O GLN A 508 -12.369 1.593 -5.926 1.00 0.00 O ATOM 17 CB GLN A 508 -14.817 2.224 -6.984 1.00 0.00 C ATOM 18 CG GLN A 508 -15.479 0.871 -7.186 1.00 0.00 C ATOM 19 CD GLN A 508 -14.601 -0.100 -7.952 1.00 0.00 C ATOM 20 OE1 GLN A 508 -13.709 -0.730 -7.383 1.00 0.00 O ATOM 21 NE2 GLN A 508 -14.849 -0.224 -9.250 1.00 0.00 N ATOM 0 H GLN A 508 -13.707 4.467 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 508 -15.326 2.135 -4.898 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -15.459 2.999 -7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -13.881 2.249 -7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -15.726 0.443 -6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -16.418 1.007 -7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -15.599 0.318 -9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -14.290 -0.861 -9.817 1.00 0.00 H new ATOM 30 N PRO A 509 -13.005 1.744 -3.771 1.00 0.00 N ATOM 31 CA PRO A 509 -11.779 1.151 -3.238 1.00 0.00 C ATOM 32 C PRO A 509 -11.783 -0.373 -3.320 1.00 0.00 C ATOM 33 O PRO A 509 -10.745 -1.011 -3.168 1.00 0.00 O ATOM 34 CB PRO A 509 -11.788 1.609 -1.782 1.00 0.00 C ATOM 35 CG PRO A 509 -13.234 1.715 -1.432 1.00 0.00 C ATOM 36 CD PRO A 509 -13.953 2.107 -2.699 1.00 0.00 C ATOM 0 HA PRO A 509 -10.895 1.457 -3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -11.275 0.894 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -11.280 2.566 -1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -13.611 0.767 -1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.391 2.459 -0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -14.898 1.574 -2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -14.185 3.172 -2.714 1.00 0.00 H new ATOM 44 N LYS A 510 -12.962 -0.949 -3.552 1.00 0.00 N ATOM 45 CA LYS A 510 -13.126 -2.402 -3.655 1.00 0.00 C ATOM 46 C LYS A 510 -13.235 -3.054 -2.277 1.00 0.00 C ATOM 47 O LYS A 510 -13.769 -4.155 -2.139 1.00 0.00 O ATOM 48 CB LYS A 510 -11.983 -3.030 -4.472 1.00 0.00 C ATOM 49 CG LYS A 510 -10.904 -3.708 -3.635 1.00 0.00 C ATOM 50 CD LYS A 510 -9.532 -3.569 -4.271 1.00 0.00 C ATOM 51 CE LYS A 510 -8.691 -2.532 -3.546 1.00 0.00 C ATOM 52 NZ LYS A 510 -7.258 -2.927 -3.474 1.00 0.00 N ATOM 0 H LYS A 510 -13.829 -0.425 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 510 -14.062 -2.589 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -12.405 -3.763 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -11.519 -2.253 -5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -10.889 -3.270 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -11.145 -4.764 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -9.021 -4.532 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -9.641 -3.285 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.777 -1.573 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -9.079 -2.391 -2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.732 -2.226 -2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -7.178 -3.861 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.861 -2.970 -4.434 1.00 0.00 H new ATOM 66 N CYS A 511 -12.727 -2.365 -1.265 1.00 0.00 N ATOM 67 CA CYS A 511 -12.760 -2.859 0.109 1.00 0.00 C ATOM 68 C CYS A 511 -12.347 -4.328 0.184 1.00 0.00 C ATOM 69 O CYS A 511 -13.192 -5.221 0.247 1.00 0.00 O ATOM 70 CB CYS A 511 -14.157 -2.666 0.702 1.00 0.00 C ATOM 71 SG CYS A 511 -14.190 -1.628 2.199 1.00 0.00 S ATOM 0 H CYS A 511 -12.282 -1.453 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 511 -12.042 -2.283 0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -14.802 -2.217 -0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.577 -3.643 0.940 1.00 0.00 H new ATOM 76 N ASN A 512 -11.039 -4.567 0.178 1.00 0.00 N ATOM 77 CA ASN A 512 -10.506 -5.922 0.249 1.00 0.00 C ATOM 78 C ASN A 512 -9.417 -6.017 1.313 1.00 0.00 C ATOM 79 O ASN A 512 -8.228 -6.034 0.996 1.00 0.00 O ATOM 80 CB ASN A 512 -9.946 -6.345 -1.111 1.00 0.00 C ATOM 81 CG ASN A 512 -10.973 -7.071 -1.958 1.00 0.00 C ATOM 82 OD1 ASN A 512 -11.938 -7.632 -1.440 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.769 -7.063 -3.270 1.00 0.00 N ATOM 0 H ASN A 512 -10.328 -3.838 0.125 1.00 0.00 H new ATOM 0 HA ASN A 512 -11.319 -6.595 0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.595 -5.463 -1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -9.081 -6.991 -0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -11.426 -7.535 -3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -9.955 -6.585 -3.657 1.00 0.00 H new ATOM 90 N PRO A 513 -9.813 -6.083 2.597 1.00 0.00 N ATOM 91 CA PRO A 513 -8.865 -6.178 3.713 1.00 0.00 C ATOM 92 C PRO A 513 -8.124 -7.512 3.735 1.00 0.00 C ATOM 93 O PRO A 513 -7.141 -7.674 4.458 1.00 0.00 O ATOM 94 CB PRO A 513 -9.753 -6.035 4.952 1.00 0.00 C ATOM 95 CG PRO A 513 -11.108 -6.464 4.506 1.00 0.00 C ATOM 96 CD PRO A 513 -11.213 -6.078 3.055 1.00 0.00 C ATOM 0 HA PRO A 513 -8.083 -5.422 3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -9.392 -6.657 5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.764 -5.007 5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -11.238 -7.539 4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.885 -5.977 5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -11.822 -6.787 2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.672 -5.097 2.933 1.00 0.00 H new ATOM 104 N ASN A 514 -8.602 -8.463 2.938 1.00 0.00 N ATOM 105 CA ASN A 514 -7.985 -9.779 2.864 1.00 0.00 C ATOM 106 C ASN A 514 -6.576 -9.688 2.280 1.00 0.00 C ATOM 107 O ASN A 514 -5.708 -10.502 2.597 1.00 0.00 O ATOM 108 CB ASN A 514 -8.852 -10.715 2.017 1.00 0.00 C ATOM 109 CG ASN A 514 -8.233 -12.090 1.843 1.00 0.00 C ATOM 110 OD1 ASN A 514 -7.435 -12.314 0.934 1.00 0.00 O ATOM 111 ND2 ASN A 514 -8.601 -13.018 2.719 1.00 0.00 N ATOM 0 H ASN A 514 -9.416 -8.345 2.334 1.00 0.00 H new ATOM 0 HA ASN A 514 -7.907 -10.182 3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -9.831 -10.819 2.484 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -9.013 -10.267 1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -8.219 -13.961 2.654 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -9.266 -12.787 3.457 1.00 0.00 H new ATOM 118 N LEU A 515 -6.355 -8.691 1.427 1.00 0.00 N ATOM 119 CA LEU A 515 -5.051 -8.492 0.803 1.00 0.00 C ATOM 120 C LEU A 515 -4.225 -7.471 1.582 1.00 0.00 C ATOM 121 O LEU A 515 -4.011 -6.349 1.123 1.00 0.00 O ATOM 122 CB LEU A 515 -5.220 -8.033 -0.646 1.00 0.00 C ATOM 123 CG LEU A 515 -5.905 -9.042 -1.570 1.00 0.00 C ATOM 124 CD1 LEU A 515 -5.950 -8.514 -2.995 1.00 0.00 C ATOM 125 CD2 LEU A 515 -5.188 -10.383 -1.518 1.00 0.00 C ATOM 0 H LEU A 515 -7.062 -8.009 1.153 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.521 -9.444 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -5.796 -7.108 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -4.237 -7.799 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 515 -6.929 -9.186 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.440 -9.244 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.507 -7.578 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.934 -8.341 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.688 -11.089 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.154 -10.255 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -5.208 -10.767 -0.498 1.00 0.00 H new ATOM 137 N HIS A 516 -3.768 -7.870 2.765 1.00 0.00 N ATOM 138 CA HIS A 516 -2.968 -6.992 3.614 1.00 0.00 C ATOM 139 C HIS A 516 -1.542 -6.841 3.085 1.00 0.00 C ATOM 140 O HIS A 516 -0.763 -6.041 3.602 1.00 0.00 O ATOM 141 CB HIS A 516 -2.937 -7.526 5.048 1.00 0.00 C ATOM 142 CG HIS A 516 -2.629 -8.989 5.137 1.00 0.00 C ATOM 143 ND1 HIS A 516 -3.439 -10.053 5.347 1.00 0.00 N flip ATOM 144 CD2 HIS A 516 -1.353 -9.500 5.006 1.00 0.00 C flip ATOM 145 CE1 HIS A 516 -2.646 -11.175 5.338 1.00 0.00 C flip ATOM 146 NE2 HIS A 516 -1.394 -10.815 5.130 1.00 0.00 N flip ATOM 0 H HIS A 516 -3.938 -8.796 3.158 1.00 0.00 H new ATOM 0 HA HIS A 516 -3.436 -6.008 3.603 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.191 -6.971 5.617 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.902 -7.337 5.518 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -0.461 -8.917 4.830 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -2.992 -12.188 5.479 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -0.594 -11.445 5.074 1.00 0.00 H new ATOM 155 N TYR A 517 -1.198 -7.618 2.061 1.00 0.00 N ATOM 156 CA TYR A 517 0.139 -7.569 1.479 1.00 0.00 C ATOM 157 C TYR A 517 0.294 -6.386 0.526 1.00 0.00 C ATOM 158 O TYR A 517 1.161 -5.532 0.717 1.00 0.00 O ATOM 159 CB TYR A 517 0.437 -8.872 0.734 1.00 0.00 C ATOM 160 CG TYR A 517 0.654 -10.058 1.646 1.00 0.00 C ATOM 161 CD1 TYR A 517 1.814 -10.173 2.403 1.00 0.00 C ATOM 162 CD2 TYR A 517 -0.298 -11.064 1.748 1.00 0.00 C ATOM 163 CE1 TYR A 517 2.017 -11.257 3.236 1.00 0.00 C ATOM 164 CE2 TYR A 517 -0.102 -12.150 2.578 1.00 0.00 C ATOM 165 CZ TYR A 517 1.056 -12.242 3.320 1.00 0.00 C ATOM 166 OH TYR A 517 1.255 -13.322 4.148 1.00 0.00 O ATOM 0 H TYR A 517 -1.826 -8.288 1.618 1.00 0.00 H new ATOM 0 HA TYR A 517 0.850 -7.442 2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -0.390 -9.091 0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 517 1.325 -8.732 0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 517 2.569 -9.403 2.339 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -1.207 -10.996 1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 517 2.924 -11.332 3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -0.852 -12.924 2.645 1.00 0.00 H new ATOM 0 HH TYR A 517 0.483 -13.924 4.092 1.00 0.00 H new ATOM 176 N TRP A 518 -0.537 -6.352 -0.510 1.00 0.00 N ATOM 177 CA TRP A 518 -0.480 -5.286 -1.507 1.00 0.00 C ATOM 178 C TRP A 518 -1.049 -3.972 -0.971 1.00 0.00 C ATOM 179 O TRP A 518 -0.745 -2.903 -1.497 1.00 0.00 O ATOM 180 CB TRP A 518 -1.241 -5.704 -2.767 1.00 0.00 C ATOM 181 CG TRP A 518 -0.349 -6.181 -3.874 1.00 0.00 C ATOM 182 CD1 TRP A 518 -0.605 -6.120 -5.214 1.00 0.00 C ATOM 183 CD2 TRP A 518 0.940 -6.793 -3.738 1.00 0.00 C ATOM 184 NE1 TRP A 518 0.445 -6.655 -5.919 1.00 0.00 N ATOM 185 CE2 TRP A 518 1.406 -7.076 -5.037 1.00 0.00 C ATOM 186 CE3 TRP A 518 1.745 -7.130 -2.645 1.00 0.00 C ATOM 187 CZ2 TRP A 518 2.639 -7.677 -5.270 1.00 0.00 C ATOM 188 CZ3 TRP A 518 2.969 -7.726 -2.880 1.00 0.00 C ATOM 189 CH2 TRP A 518 3.406 -7.995 -4.183 1.00 0.00 C ATOM 0 H TRP A 518 -1.260 -7.051 -0.683 1.00 0.00 H new ATOM 0 HA TRP A 518 0.570 -5.120 -1.749 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.944 -6.496 -2.511 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -1.829 -4.859 -3.124 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -1.502 -5.711 -5.655 1.00 0.00 H new ATOM 0 HE1 TRP A 518 0.501 -6.727 -6.935 1.00 0.00 H new ATOM 0 HE3 TRP A 518 1.416 -6.928 -1.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 2.979 -7.885 -6.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 3.600 -7.989 -2.044 1.00 0.00 H new ATOM 0 HH2 TRP A 518 4.368 -8.463 -4.333 1.00 0.00 H new ATOM 200 N THR A 519 -1.881 -4.055 0.063 1.00 0.00 N ATOM 201 CA THR A 519 -2.493 -2.863 0.650 1.00 0.00 C ATOM 202 C THR A 519 -3.400 -2.173 -0.372 1.00 0.00 C ATOM 203 O THR A 519 -4.622 -2.310 -0.318 1.00 0.00 O ATOM 204 CB THR A 519 -1.415 -1.898 1.177 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.927 -1.061 0.144 1.00 0.00 O ATOM 206 CG2 THR A 519 -0.224 -2.609 1.785 1.00 0.00 C ATOM 0 H THR A 519 -2.147 -4.931 0.512 1.00 0.00 H new ATOM 0 HA THR A 519 -3.106 -3.169 1.497 1.00 0.00 H new ATOM 0 HB THR A 519 -1.913 -1.314 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 519 -1.359 -0.184 0.202 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.499 -1.873 2.137 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.555 -3.222 2.623 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.243 -3.245 1.033 1.00 0.00 H new ATOM 214 N THR A 520 -2.802 -1.446 -1.315 1.00 0.00 N ATOM 215 CA THR A 520 -3.561 -0.755 -2.354 1.00 0.00 C ATOM 216 C THR A 520 -2.627 0.154 -3.139 1.00 0.00 C ATOM 217 O THR A 520 -2.403 -0.043 -4.333 1.00 0.00 O ATOM 218 CB THR A 520 -4.714 0.051 -1.744 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.908 -0.712 -1.735 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.004 1.342 -2.480 1.00 0.00 C ATOM 0 H THR A 520 -1.792 -1.321 -1.380 1.00 0.00 H new ATOM 0 HA THR A 520 -3.995 -1.494 -3.028 1.00 0.00 H new ATOM 0 HB THR A 520 -4.389 0.295 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.753 -1.556 -1.261 1.00 0.00 H new ATOM 0 HG21 THR A 520 -5.831 1.860 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.118 1.977 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.272 1.120 -3.513 1.00 0.00 H new ATOM 228 N GLN A 521 -2.054 1.126 -2.443 1.00 0.00 N ATOM 229 CA GLN A 521 -1.108 2.041 -3.056 1.00 0.00 C ATOM 230 C GLN A 521 0.200 1.316 -3.311 1.00 0.00 C ATOM 231 O GLN A 521 1.074 1.813 -4.020 1.00 0.00 O ATOM 232 CB GLN A 521 -0.888 3.274 -2.178 1.00 0.00 C ATOM 233 CG GLN A 521 -1.368 4.566 -2.822 1.00 0.00 C ATOM 234 CD GLN A 521 -2.854 4.799 -2.627 1.00 0.00 C ATOM 235 OE1 GLN A 521 -3.302 4.760 -1.377 1.00 0.00 O flip ATOM 236 NE2 GLN A 521 -3.591 5.014 -3.589 1.00 0.00 N flip ATOM 0 H GLN A 521 -2.229 1.299 -1.453 1.00 0.00 H new ATOM 0 HA GLN A 521 -1.515 2.387 -4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.408 3.134 -1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.174 3.363 -1.949 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -0.814 5.405 -2.401 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -1.145 4.540 -3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -3.205 5.035 -4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -4.588 5.171 -3.442 1.00 0.00 H new ATOM 245 N ASP A 522 0.315 0.120 -2.742 1.00 0.00 N ATOM 246 CA ASP A 522 1.497 -0.685 -2.927 1.00 0.00 C ATOM 247 C ASP A 522 1.311 -1.597 -4.130 1.00 0.00 C ATOM 248 O ASP A 522 2.278 -2.061 -4.737 1.00 0.00 O ATOM 249 CB ASP A 522 1.804 -1.501 -1.673 1.00 0.00 C ATOM 250 CG ASP A 522 2.931 -0.901 -0.857 1.00 0.00 C ATOM 251 OD1 ASP A 522 3.019 0.343 -0.797 1.00 0.00 O ATOM 252 OD2 ASP A 522 3.724 -1.674 -0.280 1.00 0.00 O ATOM 0 H ASP A 522 -0.400 -0.305 -2.151 1.00 0.00 H new ATOM 0 HA ASP A 522 2.346 -0.026 -3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 522 0.907 -1.567 -1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 522 2.069 -2.519 -1.960 1.00 0.00 H new ATOM 257 N GLU A 523 0.048 -1.818 -4.483 1.00 0.00 N ATOM 258 CA GLU A 523 -0.316 -2.637 -5.629 1.00 0.00 C ATOM 259 C GLU A 523 0.536 -2.270 -6.837 1.00 0.00 C ATOM 260 O GLU A 523 0.805 -3.095 -7.710 1.00 0.00 O ATOM 261 CB GLU A 523 -1.790 -2.395 -5.953 1.00 0.00 C ATOM 262 CG GLU A 523 -2.730 -2.702 -4.806 1.00 0.00 C ATOM 263 CD GLU A 523 -3.389 -4.062 -4.929 1.00 0.00 C ATOM 264 OE1 GLU A 523 -3.415 -4.610 -6.052 1.00 0.00 O ATOM 265 OE2 GLU A 523 -3.882 -4.578 -3.905 1.00 0.00 O ATOM 0 H GLU A 523 -0.751 -1.432 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.147 -3.687 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -1.921 -1.354 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.068 -3.007 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -2.177 -2.656 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -3.501 -1.933 -4.760 1.00 0.00 H new ATOM 272 N GLY A 524 0.938 -1.009 -6.871 1.00 0.00 N ATOM 273 CA GLY A 524 1.740 -0.494 -7.955 1.00 0.00 C ATOM 274 C GLY A 524 1.363 0.939 -8.255 1.00 0.00 C ATOM 275 O GLY A 524 1.280 1.344 -9.414 1.00 0.00 O ATOM 0 H GLY A 524 0.716 -0.322 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.797 -0.552 -7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.598 -1.108 -8.844 1.00 0.00 H new ATOM 279 N ALA A 525 1.100 1.698 -7.193 1.00 0.00 N ATOM 280 CA ALA A 525 0.689 3.085 -7.322 1.00 0.00 C ATOM 281 C ALA A 525 1.856 4.054 -7.135 1.00 0.00 C ATOM 282 O ALA A 525 2.175 4.830 -8.035 1.00 0.00 O ATOM 283 CB ALA A 525 -0.426 3.379 -6.326 1.00 0.00 C ATOM 0 H ALA A 525 1.166 1.368 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 525 0.320 3.235 -8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -0.735 4.420 -6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.276 2.728 -6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -0.066 3.200 -5.313 1.00 0.00 H new ATOM 289 N ALA A 526 2.495 4.005 -5.969 1.00 0.00 N ATOM 290 CA ALA A 526 3.625 4.880 -5.685 1.00 0.00 C ATOM 291 C ALA A 526 4.783 4.073 -5.140 1.00 0.00 C ATOM 292 O ALA A 526 5.470 4.483 -4.204 1.00 0.00 O ATOM 293 CB ALA A 526 3.226 5.979 -4.712 1.00 0.00 C ATOM 0 H ALA A 526 2.249 3.370 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 526 3.940 5.355 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.085 6.620 -4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.422 6.574 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 526 2.885 5.532 -3.778 1.00 0.00 H new ATOM 299 N ILE A 527 4.975 2.908 -5.730 1.00 0.00 N ATOM 300 CA ILE A 527 6.025 2.001 -5.320 1.00 0.00 C ATOM 301 C ILE A 527 7.290 2.151 -6.165 1.00 0.00 C ATOM 302 O ILE A 527 8.346 1.626 -5.818 1.00 0.00 O ATOM 303 CB ILE A 527 5.514 0.550 -5.378 1.00 0.00 C ATOM 304 CG1 ILE A 527 4.918 0.222 -6.756 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.457 0.363 -4.305 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.911 0.292 -7.896 1.00 0.00 C ATOM 0 H ILE A 527 4.407 2.566 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 527 6.295 2.256 -4.295 1.00 0.00 H new ATOM 0 HB ILE A 527 6.353 -0.125 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.489 -0.779 -6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.100 0.913 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 527 4.086 -0.661 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.893 0.563 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.632 1.053 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.409 0.047 -8.832 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.323 1.299 -7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.718 -0.420 -7.720 1.00 0.00 H new ATOM 318 N GLY A 528 7.173 2.860 -7.282 1.00 0.00 N ATOM 319 CA GLY A 528 8.304 3.054 -8.174 1.00 0.00 C ATOM 320 C GLY A 528 9.586 3.498 -7.485 1.00 0.00 C ATOM 321 O GLY A 528 10.669 3.361 -8.055 1.00 0.00 O ATOM 0 H GLY A 528 6.309 3.307 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.496 2.121 -8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 528 8.035 3.797 -8.925 1.00 0.00 H new ATOM 325 N LEU A 529 9.485 4.047 -6.275 1.00 0.00 N ATOM 326 CA LEU A 529 10.673 4.515 -5.566 1.00 0.00 C ATOM 327 C LEU A 529 11.174 3.503 -4.538 1.00 0.00 C ATOM 328 O LEU A 529 12.381 3.322 -4.372 1.00 0.00 O ATOM 329 CB LEU A 529 10.381 5.849 -4.873 1.00 0.00 C ATOM 330 CG LEU A 529 9.017 5.942 -4.188 1.00 0.00 C ATOM 331 CD1 LEU A 529 9.109 6.783 -2.924 1.00 0.00 C ATOM 332 CD2 LEU A 529 7.982 6.519 -5.141 1.00 0.00 C ATOM 0 H LEU A 529 8.607 4.177 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 529 11.459 4.645 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 529 11.157 6.031 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 529 10.454 6.647 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 529 8.703 4.937 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 529 8.128 6.837 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 529 9.820 6.327 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 529 9.445 7.788 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 529 7.017 6.578 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 529 8.291 7.517 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 529 7.895 5.876 -6.017 1.00 0.00 H new ATOM 344 N ALA A 530 10.249 2.866 -3.832 1.00 0.00 N ATOM 345 CA ALA A 530 10.608 1.900 -2.797 1.00 0.00 C ATOM 346 C ALA A 530 10.412 0.454 -3.230 1.00 0.00 C ATOM 347 O ALA A 530 10.618 -0.464 -2.436 1.00 0.00 O ATOM 348 CB ALA A 530 9.795 2.160 -1.551 1.00 0.00 C ATOM 0 H ALA A 530 9.245 2.999 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 530 11.672 2.036 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 530 10.066 1.437 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 530 9.997 3.168 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.734 2.063 -1.782 1.00 0.00 H new ATOM 354 N TRP A 531 9.994 0.240 -4.467 1.00 0.00 N ATOM 355 CA TRP A 531 9.753 -1.112 -4.961 1.00 0.00 C ATOM 356 C TRP A 531 11.043 -1.930 -5.084 1.00 0.00 C ATOM 357 O TRP A 531 11.138 -2.822 -5.926 1.00 0.00 O ATOM 358 CB TRP A 531 9.031 -1.050 -6.301 1.00 0.00 C ATOM 359 CG TRP A 531 8.600 -2.390 -6.815 1.00 0.00 C ATOM 360 CD1 TRP A 531 9.185 -3.115 -7.811 1.00 0.00 C ATOM 361 CD2 TRP A 531 7.486 -3.165 -6.354 1.00 0.00 C ATOM 362 NE1 TRP A 531 8.505 -4.294 -8.000 1.00 0.00 N ATOM 363 CE2 TRP A 531 7.458 -4.347 -7.117 1.00 0.00 C ATOM 364 CE3 TRP A 531 6.512 -2.973 -5.371 1.00 0.00 C ATOM 365 CZ2 TRP A 531 6.493 -5.333 -6.926 1.00 0.00 C ATOM 366 CZ3 TRP A 531 5.555 -3.952 -5.182 1.00 0.00 C ATOM 367 CH2 TRP A 531 5.551 -5.120 -5.956 1.00 0.00 C ATOM 0 H TRP A 531 9.814 0.979 -5.147 1.00 0.00 H new ATOM 0 HA TRP A 531 9.126 -1.622 -4.230 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.155 -0.409 -6.202 1.00 0.00 H new ATOM 0 HB3 TRP A 531 9.686 -0.582 -7.036 1.00 0.00 H new ATOM 0 HD1 TRP A 531 10.056 -2.807 -8.370 1.00 0.00 H new ATOM 0 HE1 TRP A 531 8.741 -5.012 -8.685 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.507 -2.076 -4.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 6.488 -6.234 -7.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 4.797 -3.814 -4.425 1.00 0.00 H new ATOM 0 HH2 TRP A 531 4.790 -5.867 -5.784 1.00 0.00 H new ATOM 378 N ILE A 532 12.020 -1.640 -4.228 1.00 0.00 N ATOM 379 CA ILE A 532 13.283 -2.360 -4.230 1.00 0.00 C ATOM 380 C ILE A 532 14.004 -2.182 -2.895 1.00 0.00 C ATOM 381 O ILE A 532 15.012 -1.481 -2.811 1.00 0.00 O ATOM 382 CB ILE A 532 14.210 -1.888 -5.370 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.448 -0.378 -5.275 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.619 -2.254 -6.723 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.883 -0.012 -4.959 1.00 0.00 C ATOM 0 H ILE A 532 11.957 -0.907 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 532 13.049 -3.413 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 532 15.170 -2.394 -5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.162 0.087 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.797 0.037 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.286 -1.914 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.501 -3.336 -6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.646 -1.775 -6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 532 15.979 1.073 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.167 -0.448 -4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.537 -0.397 -5.741 1.00 0.00 H new ATOM 397 N PRO A 533 13.485 -2.814 -1.826 1.00 0.00 N ATOM 398 CA PRO A 533 14.066 -2.729 -0.482 1.00 0.00 C ATOM 399 C PRO A 533 15.570 -2.985 -0.470 1.00 0.00 C ATOM 400 O PRO A 533 16.017 -4.113 -0.262 1.00 0.00 O ATOM 401 CB PRO A 533 13.329 -3.821 0.310 1.00 0.00 C ATOM 402 CG PRO A 533 12.546 -4.599 -0.698 1.00 0.00 C ATOM 403 CD PRO A 533 12.287 -3.660 -1.838 1.00 0.00 C ATOM 0 HA PRO A 533 13.948 -1.730 -0.062 1.00 0.00 H new ATOM 0 HB2 PRO A 533 14.034 -4.464 0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 533 12.672 -3.383 1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 533 13.103 -5.474 -1.033 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.611 -4.960 -0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.173 -4.190 -2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.377 -3.079 -1.687 1.00 0.00 H new ATOM 411 N TYR A 534 16.347 -1.928 -0.690 1.00 0.00 N ATOM 412 CA TYR A 534 17.801 -2.034 -0.701 1.00 0.00 C ATOM 413 C TYR A 534 18.390 -1.648 0.656 1.00 0.00 C ATOM 414 O TYR A 534 19.360 -2.251 1.117 1.00 0.00 O ATOM 415 CB TYR A 534 18.389 -1.144 -1.799 1.00 0.00 C ATOM 416 CG TYR A 534 19.063 -1.918 -2.910 1.00 0.00 C ATOM 417 CD1 TYR A 534 18.314 -2.620 -3.845 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.447 -1.944 -3.024 1.00 0.00 C ATOM 419 CE1 TYR A 534 18.926 -3.328 -4.863 1.00 0.00 C ATOM 420 CE2 TYR A 534 21.066 -2.649 -4.038 1.00 0.00 C ATOM 421 CZ TYR A 534 20.302 -3.340 -4.955 1.00 0.00 C ATOM 422 OH TYR A 534 20.915 -4.043 -5.966 1.00 0.00 O ATOM 0 H TYR A 534 15.992 -0.987 -0.863 1.00 0.00 H new ATOM 0 HA TYR A 534 18.062 -3.072 -0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.593 -0.533 -2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 534 19.112 -0.461 -1.353 1.00 0.00 H new ATOM 0 HD1 TYR A 534 17.236 -2.613 -3.776 1.00 0.00 H new ATOM 0 HD2 TYR A 534 21.049 -1.404 -2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 534 18.329 -3.869 -5.583 1.00 0.00 H new ATOM 0 HE2 TYR A 534 22.143 -2.659 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 534 21.887 -3.947 -5.888 1.00 0.00 H new ATOM 432 N PHE A 535 17.804 -0.632 1.283 1.00 0.00 N ATOM 433 CA PHE A 535 18.277 -0.156 2.579 1.00 0.00 C ATOM 434 C PHE A 535 18.150 -1.236 3.651 1.00 0.00 C ATOM 435 O PHE A 535 18.987 -1.329 4.550 1.00 0.00 O ATOM 436 CB PHE A 535 17.496 1.092 3.002 1.00 0.00 C ATOM 437 CG PHE A 535 18.367 2.193 3.538 1.00 0.00 C ATOM 438 CD1 PHE A 535 19.134 2.966 2.681 1.00 0.00 C ATOM 439 CD2 PHE A 535 18.418 2.453 4.898 1.00 0.00 C ATOM 440 CE1 PHE A 535 19.936 3.978 3.170 1.00 0.00 C ATOM 441 CE2 PHE A 535 19.219 3.464 5.393 1.00 0.00 C ATOM 442 CZ PHE A 535 19.979 4.228 4.529 1.00 0.00 C ATOM 0 H PHE A 535 17.001 -0.123 0.915 1.00 0.00 H new ATOM 0 HA PHE A 535 19.332 0.096 2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 535 16.936 1.467 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 535 16.767 0.814 3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 535 19.104 2.775 1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 535 17.825 1.859 5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 535 20.529 4.574 2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 535 19.251 3.657 6.455 1.00 0.00 H new ATOM 0 HZ PHE A 535 20.605 5.019 4.914 1.00 0.00 H new ATOM 452 N GLY A 536 17.103 -2.049 3.554 1.00 0.00 N ATOM 453 CA GLY A 536 16.899 -3.106 4.528 1.00 0.00 C ATOM 454 C GLY A 536 15.432 -3.453 4.715 1.00 0.00 C ATOM 455 O GLY A 536 15.004 -4.551 4.358 1.00 0.00 O ATOM 0 H GLY A 536 16.395 -1.996 2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 536 17.442 -3.997 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 536 17.321 -2.799 5.485 1.00 0.00 H new ATOM 459 N PRO A 537 14.629 -2.530 5.271 1.00 0.00 N ATOM 460 CA PRO A 537 13.199 -2.757 5.490 1.00 0.00 C ATOM 461 C PRO A 537 12.480 -3.100 4.198 1.00 0.00 C ATOM 462 O PRO A 537 13.109 -3.430 3.194 1.00 0.00 O ATOM 463 CB PRO A 537 12.693 -1.419 6.048 1.00 0.00 C ATOM 464 CG PRO A 537 13.753 -0.429 5.710 1.00 0.00 C ATOM 465 CD PRO A 537 15.043 -1.194 5.717 1.00 0.00 C ATOM 0 HA PRO A 537 13.017 -3.598 6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 537 11.738 -1.142 5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 537 12.536 -1.476 7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 537 13.571 0.021 4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 537 13.776 0.383 6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 537 15.779 -0.753 5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 537 15.493 -1.220 6.709 1.00 0.00 H new ATOM 473 N ALA A 538 11.161 -3.013 4.228 1.00 0.00 N ATOM 474 CA ALA A 538 10.358 -3.308 3.050 1.00 0.00 C ATOM 475 C ALA A 538 10.462 -2.178 2.041 1.00 0.00 C ATOM 476 O ALA A 538 10.699 -2.412 0.857 1.00 0.00 O ATOM 477 CB ALA A 538 8.904 -3.541 3.428 1.00 0.00 C ATOM 0 H ALA A 538 10.623 -2.742 5.051 1.00 0.00 H new ATOM 0 HA ALA A 538 10.745 -4.221 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 538 8.325 -3.759 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 538 8.838 -4.383 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 538 8.505 -2.647 3.908 1.00 0.00 H new ATOM 483 N ALA A 539 10.288 -0.949 2.520 1.00 0.00 N ATOM 484 CA ALA A 539 10.362 0.233 1.658 1.00 0.00 C ATOM 485 C ALA A 539 9.165 0.310 0.723 1.00 0.00 C ATOM 486 O ALA A 539 8.490 1.336 0.628 1.00 0.00 O ATOM 487 CB ALA A 539 11.633 0.200 0.835 1.00 0.00 C ATOM 0 H ALA A 539 10.095 -0.743 3.500 1.00 0.00 H new ATOM 0 HA ALA A 539 10.360 1.112 2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.677 1.083 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.497 0.188 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.641 -0.696 0.214 1.00 0.00 H new ATOM 493 N GLU A 540 8.933 -0.790 0.027 1.00 0.00 N ATOM 494 CA GLU A 540 7.849 -0.920 -0.936 1.00 0.00 C ATOM 495 C GLU A 540 6.578 -0.191 -0.491 1.00 0.00 C ATOM 496 O GLU A 540 5.809 0.287 -1.323 1.00 0.00 O ATOM 497 CB GLU A 540 7.565 -2.407 -1.136 1.00 0.00 C ATOM 498 CG GLU A 540 8.195 -2.988 -2.390 1.00 0.00 C ATOM 499 CD GLU A 540 7.894 -4.465 -2.561 1.00 0.00 C ATOM 500 OE1 GLU A 540 7.578 -5.128 -1.550 1.00 0.00 O ATOM 501 OE2 GLU A 540 7.976 -4.959 -3.706 1.00 0.00 O ATOM 0 H GLU A 540 9.501 -1.633 0.116 1.00 0.00 H new ATOM 0 HA GLU A 540 8.158 -0.455 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.930 -2.957 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.486 -2.559 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.831 -2.443 -3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.275 -2.843 -2.351 1.00 0.00 H new ATOM 508 N GLY A 541 6.362 -0.107 0.817 1.00 0.00 N ATOM 509 CA GLY A 541 5.181 0.572 1.326 1.00 0.00 C ATOM 510 C GLY A 541 5.508 1.642 2.352 1.00 0.00 C ATOM 511 O GLY A 541 4.788 2.631 2.478 1.00 0.00 O ATOM 0 H GLY A 541 6.978 -0.494 1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.643 1.026 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.512 -0.162 1.775 1.00 0.00 H new ATOM 515 N ILE A 542 6.592 1.438 3.091 1.00 0.00 N ATOM 516 CA ILE A 542 7.010 2.388 4.121 1.00 0.00 C ATOM 517 C ILE A 542 7.933 3.469 3.561 1.00 0.00 C ATOM 518 O ILE A 542 8.053 4.548 4.139 1.00 0.00 O ATOM 519 CB ILE A 542 7.714 1.685 5.301 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.816 0.746 4.804 1.00 0.00 C ATOM 521 CG2 ILE A 542 6.700 0.919 6.139 1.00 0.00 C ATOM 522 CD1 ILE A 542 10.166 1.414 4.654 1.00 0.00 C ATOM 0 H ILE A 542 7.199 0.624 2.998 1.00 0.00 H new ATOM 0 HA ILE A 542 6.095 2.858 4.483 1.00 0.00 H new ATOM 0 HB ILE A 542 8.179 2.449 5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.909 -0.089 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.518 0.329 3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 542 7.210 0.428 6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.954 1.611 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 542 6.209 0.169 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.895 0.686 4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 542 10.090 2.231 3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.487 1.807 5.619 1.00 0.00 H new ATOM 534 N TYR A 543 8.580 3.183 2.432 1.00 0.00 N ATOM 535 CA TYR A 543 9.481 4.150 1.811 1.00 0.00 C ATOM 536 C TYR A 543 8.949 4.589 0.449 1.00 0.00 C ATOM 537 O TYR A 543 9.471 5.521 -0.163 1.00 0.00 O ATOM 538 CB TYR A 543 10.884 3.559 1.666 1.00 0.00 C ATOM 539 CG TYR A 543 11.975 4.602 1.579 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.305 5.383 2.680 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.675 4.806 0.397 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.302 6.338 2.605 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.673 5.758 0.314 1.00 0.00 C ATOM 544 CZ TYR A 543 13.983 6.521 1.420 1.00 0.00 C ATOM 545 OH TYR A 543 14.976 7.470 1.342 1.00 0.00 O ATOM 0 H TYR A 543 8.498 2.297 1.933 1.00 0.00 H new ATOM 0 HA TYR A 543 9.536 5.026 2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 543 11.084 2.907 2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.916 2.936 0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.774 5.242 3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.435 4.211 -0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.546 6.937 3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.208 5.904 -0.613 1.00 0.00 H new ATOM 0 HH TYR A 543 15.357 7.471 0.439 1.00 0.00 H new ATOM 555 N ALA A 544 7.897 3.918 -0.011 1.00 0.00 N ATOM 556 CA ALA A 544 7.274 4.236 -1.284 1.00 0.00 C ATOM 557 C ALA A 544 5.991 5.007 -1.043 1.00 0.00 C ATOM 558 O ALA A 544 5.651 5.934 -1.779 1.00 0.00 O ATOM 559 CB ALA A 544 6.983 2.956 -2.048 1.00 0.00 C ATOM 0 H ALA A 544 7.458 3.144 0.487 1.00 0.00 H new ATOM 0 HA ALA A 544 7.951 4.851 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.516 3.200 -3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.915 2.419 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.309 2.329 -1.464 1.00 0.00 H new ATOM 565 N GLU A 545 5.280 4.602 0.003 1.00 0.00 N ATOM 566 CA GLU A 545 4.023 5.234 0.365 1.00 0.00 C ATOM 567 C GLU A 545 4.090 5.847 1.765 1.00 0.00 C ATOM 568 O GLU A 545 3.464 6.872 2.036 1.00 0.00 O ATOM 569 CB GLU A 545 2.914 4.190 0.318 1.00 0.00 C ATOM 570 CG GLU A 545 1.588 4.701 0.845 1.00 0.00 C ATOM 571 CD GLU A 545 1.128 5.954 0.124 1.00 0.00 C ATOM 572 OE1 GLU A 545 1.859 6.966 0.168 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.043 5.924 -0.489 1.00 0.00 O ATOM 0 H GLU A 545 5.557 3.835 0.616 1.00 0.00 H new ATOM 0 HA GLU A 545 3.821 6.037 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.783 3.855 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.218 3.320 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 545 0.832 3.923 0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 545 1.679 4.910 1.911 1.00 0.00 H new ATOM 580 N GLY A 546 4.859 5.209 2.642 1.00 0.00 N ATOM 581 CA GLY A 546 5.018 5.682 4.007 1.00 0.00 C ATOM 582 C GLY A 546 3.747 6.248 4.616 1.00 0.00 C ATOM 583 O GLY A 546 3.779 7.312 5.234 1.00 0.00 O ATOM 0 H GLY A 546 5.382 4.360 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.370 4.858 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.792 6.450 4.027 1.00 0.00 H new ATOM 587 N LEU A 547 2.621 5.548 4.457 1.00 0.00 N ATOM 588 CA LEU A 547 1.362 6.027 5.021 1.00 0.00 C ATOM 589 C LEU A 547 0.194 5.087 4.702 1.00 0.00 C ATOM 590 O LEU A 547 -0.438 4.543 5.606 1.00 0.00 O ATOM 591 CB LEU A 547 1.095 7.465 4.536 1.00 0.00 C ATOM 592 CG LEU A 547 -0.234 7.731 3.810 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.804 9.078 4.229 1.00 0.00 C ATOM 594 CD2 LEU A 547 -0.030 7.684 2.302 1.00 0.00 C ATOM 0 H LEU A 547 2.557 4.664 3.952 1.00 0.00 H new ATOM 0 HA LEU A 547 1.449 6.037 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.145 8.127 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 547 1.907 7.751 3.868 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.946 6.953 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.745 9.253 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.980 9.080 5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 547 -0.096 9.867 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.979 7.874 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 547 0.694 8.444 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.341 6.700 2.016 1.00 0.00 H new ATOM 606 N MET A 548 -0.089 4.906 3.420 1.00 0.00 N ATOM 607 CA MET A 548 -1.182 4.038 2.988 1.00 0.00 C ATOM 608 C MET A 548 -0.727 2.592 2.831 1.00 0.00 C ATOM 609 O MET A 548 -1.451 1.764 2.280 1.00 0.00 O ATOM 610 CB MET A 548 -1.770 4.534 1.666 1.00 0.00 C ATOM 611 CG MET A 548 -2.960 5.467 1.833 1.00 0.00 C ATOM 612 SD MET A 548 -2.856 6.930 0.783 1.00 0.00 S ATOM 613 CE MET A 548 -4.410 7.733 1.167 1.00 0.00 C ATOM 0 H MET A 548 0.423 5.349 2.657 1.00 0.00 H new ATOM 0 HA MET A 548 -1.947 4.073 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 548 -0.992 5.051 1.104 1.00 0.00 H new ATOM 0 HB3 MET A 548 -2.076 3.674 1.070 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.876 4.924 1.602 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.028 5.778 2.875 1.00 0.00 H new ATOM 0 HE1 MET A 548 -4.494 8.656 0.594 1.00 0.00 H new ATOM 0 HE2 MET A 548 -5.236 7.070 0.910 1.00 0.00 H new ATOM 0 HE3 MET A 548 -4.447 7.963 2.232 1.00 0.00 H new ATOM 623 N HIS A 549 0.465 2.280 3.319 1.00 0.00 N ATOM 624 CA HIS A 549 0.974 0.921 3.229 1.00 0.00 C ATOM 625 C HIS A 549 0.133 -0.017 4.095 1.00 0.00 C ATOM 626 O HIS A 549 0.258 -1.237 4.010 1.00 0.00 O ATOM 627 CB HIS A 549 2.445 0.872 3.655 1.00 0.00 C ATOM 628 CG HIS A 549 2.978 -0.515 3.852 1.00 0.00 C ATOM 629 ND1 HIS A 549 2.971 -1.594 3.032 1.00 0.00 N flip ATOM 630 CD2 HIS A 549 3.611 -0.921 5.008 1.00 0.00 C flip ATOM 631 CE1 HIS A 549 3.593 -2.619 3.702 1.00 0.00 C flip ATOM 632 NE2 HIS A 549 3.970 -2.187 4.891 1.00 0.00 N flip ATOM 0 H HIS A 549 1.091 2.942 3.777 1.00 0.00 H new ATOM 0 HA HIS A 549 0.906 0.590 2.193 1.00 0.00 H new ATOM 0 HB2 HIS A 549 3.048 1.378 2.901 1.00 0.00 H new ATOM 0 HB3 HIS A 549 2.562 1.430 4.584 1.00 0.00 H new ATOM 0 HD2 HIS A 549 3.786 -0.300 5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 549 3.748 -3.617 3.318 1.00 0.00 H new ATOM 0 HE2 HIS A 549 4.456 -2.737 5.599 1.00 0.00 H new ATOM 641 N ASN A 550 -0.718 0.565 4.936 1.00 0.00 N ATOM 642 CA ASN A 550 -1.572 -0.214 5.819 1.00 0.00 C ATOM 643 C ASN A 550 -2.959 -0.412 5.224 1.00 0.00 C ATOM 644 O ASN A 550 -3.423 -1.540 5.078 1.00 0.00 O ATOM 645 CB ASN A 550 -1.682 0.481 7.174 1.00 0.00 C ATOM 646 CG ASN A 550 -0.511 0.165 8.084 1.00 0.00 C ATOM 647 OD1 ASN A 550 -0.180 -0.999 8.306 1.00 0.00 O ATOM 648 ND2 ASN A 550 0.122 1.205 8.615 1.00 0.00 N ATOM 0 H ASN A 550 -0.832 1.575 5.022 1.00 0.00 H new ATOM 0 HA ASN A 550 -1.119 -1.197 5.945 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -1.740 1.559 7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.609 0.177 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.918 1.055 9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -0.188 2.153 8.403 1.00 0.00 H new ATOM 655 N GLN A 551 -3.608 0.699 4.901 1.00 0.00 N ATOM 656 CA GLN A 551 -4.953 0.696 4.326 1.00 0.00 C ATOM 657 C GLN A 551 -5.093 -0.356 3.234 1.00 0.00 C ATOM 658 O GLN A 551 -5.086 -0.045 2.043 1.00 0.00 O ATOM 659 CB GLN A 551 -5.285 2.076 3.761 1.00 0.00 C ATOM 660 CG GLN A 551 -4.172 2.661 2.910 1.00 0.00 C ATOM 661 CD GLN A 551 -4.465 2.571 1.425 1.00 0.00 C ATOM 662 OE1 GLN A 551 -5.515 3.013 0.960 1.00 0.00 O ATOM 663 NE2 GLN A 551 -3.534 1.996 0.673 1.00 0.00 N ATOM 0 H GLN A 551 -3.218 1.633 5.030 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.654 0.450 5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -6.193 2.007 3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.498 2.757 4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -4.021 3.705 3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.241 2.137 3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -2.678 1.644 1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.675 1.907 -0.333 1.00 0.00 H new ATOM 672 N ASP A 552 -5.215 -1.602 3.659 1.00 0.00 N ATOM 673 CA ASP A 552 -5.355 -2.724 2.741 1.00 0.00 C ATOM 674 C ASP A 552 -6.822 -3.070 2.511 1.00 0.00 C ATOM 675 O ASP A 552 -7.149 -4.193 2.132 1.00 0.00 O ATOM 676 CB ASP A 552 -4.614 -3.945 3.286 1.00 0.00 C ATOM 677 CG ASP A 552 -5.094 -4.341 4.668 1.00 0.00 C ATOM 678 OD1 ASP A 552 -6.232 -4.843 4.782 1.00 0.00 O ATOM 679 OD2 ASP A 552 -4.331 -4.149 5.639 1.00 0.00 O ATOM 0 H ASP A 552 -5.220 -1.866 4.644 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.919 -2.432 1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -4.749 -4.784 2.603 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -3.546 -3.732 3.322 1.00 0.00 H new ATOM 684 N GLY A 553 -7.703 -2.106 2.754 1.00 0.00 N ATOM 685 CA GLY A 553 -9.125 -2.336 2.580 1.00 0.00 C ATOM 686 C GLY A 553 -9.900 -2.034 3.845 1.00 0.00 C ATOM 687 O GLY A 553 -11.068 -1.648 3.792 1.00 0.00 O ATOM 0 H GLY A 553 -7.457 -1.168 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -9.498 -1.713 1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -9.293 -3.373 2.289 1.00 0.00 H new ATOM 691 N LEU A 554 -9.238 -2.193 4.987 1.00 0.00 N ATOM 692 CA LEU A 554 -9.855 -1.918 6.278 1.00 0.00 C ATOM 693 C LEU A 554 -10.330 -0.475 6.335 1.00 0.00 C ATOM 694 O LEU A 554 -11.516 -0.198 6.512 1.00 0.00 O ATOM 695 CB LEU A 554 -8.849 -2.162 7.401 1.00 0.00 C ATOM 696 CG LEU A 554 -8.026 -3.447 7.266 1.00 0.00 C ATOM 697 CD1 LEU A 554 -6.538 -3.131 7.233 1.00 0.00 C ATOM 698 CD2 LEU A 554 -8.341 -4.408 8.404 1.00 0.00 C ATOM 0 H LEU A 554 -8.271 -2.512 5.043 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.709 -2.584 6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -8.166 -1.314 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -9.386 -2.190 8.349 1.00 0.00 H new ATOM 0 HG LEU A 554 -8.296 -3.927 6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.971 -4.057 7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.322 -2.484 6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.253 -2.625 8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -7.746 -5.314 8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.102 -3.935 9.356 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.400 -4.664 8.381 1.00 0.00 H new ATOM 710 N ILE A 555 -9.382 0.436 6.174 1.00 0.00 N ATOM 711 CA ILE A 555 -9.659 1.856 6.194 1.00 0.00 C ATOM 712 C ILE A 555 -10.254 2.307 4.863 1.00 0.00 C ATOM 713 O ILE A 555 -9.666 3.115 4.144 1.00 0.00 O ATOM 714 CB ILE A 555 -8.369 2.639 6.478 1.00 0.00 C ATOM 715 CG1 ILE A 555 -7.753 2.207 7.816 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.627 4.138 6.464 1.00 0.00 C ATOM 717 CD1 ILE A 555 -8.772 1.876 8.888 1.00 0.00 C ATOM 0 H ILE A 555 -8.399 0.207 6.026 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.383 2.054 6.985 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.657 2.412 5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -7.122 1.335 7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.105 3.004 8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.697 4.669 6.668 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.006 4.433 5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.363 4.388 7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -8.256 1.580 9.801 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -9.388 2.753 9.087 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -9.405 1.057 8.547 1.00 0.00 H new ATOM 729 N CYS A 556 -11.422 1.767 4.546 1.00 0.00 N ATOM 730 CA CYS A 556 -12.115 2.091 3.303 1.00 0.00 C ATOM 731 C CYS A 556 -12.619 3.535 3.296 1.00 0.00 C ATOM 732 O CYS A 556 -13.107 4.019 2.276 1.00 0.00 O ATOM 733 CB CYS A 556 -13.286 1.129 3.089 1.00 0.00 C ATOM 734 SG CYS A 556 -13.057 -0.021 1.695 1.00 0.00 S ATOM 0 H CYS A 556 -11.915 1.097 5.137 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.400 1.983 2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.440 0.552 4.001 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.193 1.709 2.922 1.00 0.00 H new ATOM 739 N GLY A 557 -12.504 4.219 4.435 1.00 0.00 N ATOM 740 CA GLY A 557 -12.958 5.597 4.530 1.00 0.00 C ATOM 741 C GLY A 557 -12.148 6.565 3.679 1.00 0.00 C ATOM 742 O GLY A 557 -12.447 7.758 3.641 1.00 0.00 O ATOM 0 H GLY A 557 -12.104 3.842 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.004 5.648 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.911 5.915 5.571 1.00 0.00 H new ATOM 746 N LEU A 558 -11.117 6.062 3.005 1.00 0.00 N ATOM 747 CA LEU A 558 -10.268 6.902 2.165 1.00 0.00 C ATOM 748 C LEU A 558 -11.049 7.523 1.008 1.00 0.00 C ATOM 749 O LEU A 558 -10.947 8.722 0.753 1.00 0.00 O ATOM 750 CB LEU A 558 -9.095 6.087 1.618 1.00 0.00 C ATOM 751 CG LEU A 558 -9.483 4.785 0.912 1.00 0.00 C ATOM 752 CD1 LEU A 558 -9.558 4.996 -0.594 1.00 0.00 C ATOM 753 CD2 LEU A 558 -8.496 3.678 1.250 1.00 0.00 C ATOM 0 H LEU A 558 -10.849 5.078 3.024 1.00 0.00 H new ATOM 0 HA LEU A 558 -9.892 7.713 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -8.535 6.709 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -8.422 5.849 2.442 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.469 4.483 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -9.835 4.060 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.306 5.756 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -8.586 5.323 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -8.789 2.761 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -7.497 3.970 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.494 3.508 2.327 1.00 0.00 H new ATOM 765 N ARG A 559 -11.817 6.696 0.302 1.00 0.00 N ATOM 766 CA ARG A 559 -12.608 7.155 -0.846 1.00 0.00 C ATOM 767 C ARG A 559 -11.774 8.058 -1.755 1.00 0.00 C ATOM 768 O ARG A 559 -10.552 8.122 -1.629 1.00 0.00 O ATOM 769 CB ARG A 559 -13.878 7.902 -0.401 1.00 0.00 C ATOM 770 CG ARG A 559 -14.173 7.832 1.089 1.00 0.00 C ATOM 771 CD ARG A 559 -14.629 6.443 1.500 1.00 0.00 C ATOM 772 NE ARG A 559 -15.888 6.476 2.240 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.389 5.432 2.897 1.00 0.00 C ATOM 774 NH1 ARG A 559 -15.744 4.273 2.908 1.00 0.00 N ATOM 775 NH2 ARG A 559 -17.541 5.548 3.544 1.00 0.00 N ATOM 0 H ARG A 559 -11.911 5.700 0.503 1.00 0.00 H new ATOM 0 HA ARG A 559 -12.910 6.267 -1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -13.786 8.949 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -14.731 7.495 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -13.280 8.104 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -14.944 8.560 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -14.747 5.823 0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -13.859 5.976 2.115 1.00 0.00 H new ATOM 0 HE ARG A 559 -16.414 7.350 2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -14.858 4.177 2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -16.134 3.477 3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -18.042 6.436 3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -17.926 4.749 4.048 1.00 0.00 H new ATOM 789 N GLN A 560 -12.445 8.755 -2.668 1.00 0.00 N ATOM 790 CA GLN A 560 -11.769 9.658 -3.595 1.00 0.00 C ATOM 791 C GLN A 560 -10.626 8.950 -4.318 1.00 0.00 C ATOM 792 O GLN A 560 -10.871 8.393 -5.407 1.00 0.00 O ATOM 793 CB GLN A 560 -11.236 10.882 -2.847 1.00 0.00 C ATOM 794 CG GLN A 560 -12.219 11.454 -1.838 1.00 0.00 C ATOM 795 CD GLN A 560 -11.802 11.194 -0.403 1.00 0.00 C ATOM 796 OE1 GLN A 560 -10.629 11.327 -0.052 1.00 0.00 O ATOM 797 NE2 GLN A 560 -12.763 10.821 0.435 1.00 0.00 N ATOM 798 OXT GLN A 560 -9.496 8.959 -3.786 1.00 0.00 O ATOM 0 H GLN A 560 -13.457 8.712 -2.786 1.00 0.00 H new ATOM 0 HA GLN A 560 -12.496 9.982 -4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -10.315 10.610 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -10.979 11.656 -3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -12.312 12.528 -1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.204 11.020 -2.010 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -13.722 10.723 0.101 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -12.542 10.632 1.413 1.00 0.00 H new TER 807 GLN A 560