USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 722 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= -0.0443 USER MOD Single : A 15 GLN : amide:sc= 0.904 K(o=0.9,f=-0.54) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -37:sc= 0.257 USER MOD Single : A 23 THR OG1 : rot -94:sc= 0.836 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.464 F(o=-1.2,f=-0.46) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.645 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.5) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0903 USER MOD Single : A 54 GLN : amide:sc= -0.0392 X(o=-0.039,f=0.0045) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -108:sc= -0.197 (180deg=-0.279) USER MOD Single : A 60 GLN : amide:sc= -0.477 K(o=-0.48,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.111 F(o=-0.65,f=-0.11) USER MOD Single : A 81 HIS : no HD1:sc= 0.299 K(o=0.3,f=-1.6) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.515 22.720 -1.180 1.00 0.00 N ATOM 2 CA MET A 1 5.056 21.356 -1.490 1.00 0.00 C ATOM 3 C MET A 1 5.999 20.316 -0.880 1.00 0.00 C ATOM 4 O MET A 1 7.044 20.019 -1.455 1.00 0.00 O ATOM 5 CB MET A 1 4.905 21.198 -3.012 1.00 0.00 C ATOM 6 CG MET A 1 3.801 20.221 -3.425 1.00 0.00 C ATOM 7 SD MET A 1 3.081 20.668 -5.024 1.00 0.00 S ATOM 8 CE MET A 1 1.921 21.958 -4.491 1.00 0.00 C ATOM 0 H1 MET A 1 4.862 23.410 -1.603 1.00 0.00 H new ATOM 0 H2 MET A 1 5.539 22.852 -0.149 1.00 0.00 H new ATOM 0 H3 MET A 1 6.469 22.862 -1.569 1.00 0.00 H new ATOM 0 HA MET A 1 4.077 21.186 -1.041 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.696 22.174 -3.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.853 20.858 -3.428 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.209 19.212 -3.478 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.021 20.210 -2.664 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.387 22.348 -5.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.207 21.535 -3.785 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.472 22.766 -4.010 1.00 0.00 H new ATOM 20 N SER A 2 5.640 19.789 0.299 1.00 0.00 N ATOM 21 CA SER A 2 6.431 18.813 1.047 1.00 0.00 C ATOM 22 C SER A 2 5.852 17.400 0.895 1.00 0.00 C ATOM 23 O SER A 2 6.608 16.443 0.738 1.00 0.00 O ATOM 24 CB SER A 2 6.518 19.239 2.523 1.00 0.00 C ATOM 25 OG SER A 2 7.745 19.893 2.770 1.00 0.00 O ATOM 0 H SER A 2 4.769 20.039 0.767 1.00 0.00 H new ATOM 0 HA SER A 2 7.441 18.785 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.688 19.902 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.427 18.365 3.167 1.00 0.00 H new ATOM 0 HG SER A 2 7.789 20.161 3.712 1.00 0.00 H new ATOM 31 N LYS A 3 4.521 17.266 0.950 1.00 0.00 N ATOM 32 CA LYS A 3 3.817 15.990 0.838 1.00 0.00 C ATOM 33 C LYS A 3 3.920 15.412 -0.579 1.00 0.00 C ATOM 34 O LYS A 3 3.715 16.135 -1.553 1.00 0.00 O ATOM 35 CB LYS A 3 2.336 16.187 1.207 1.00 0.00 C ATOM 36 CG LYS A 3 1.984 15.728 2.627 1.00 0.00 C ATOM 37 CD LYS A 3 2.809 16.375 3.749 1.00 0.00 C ATOM 38 CE LYS A 3 2.553 17.882 3.858 1.00 0.00 C ATOM 39 NZ LYS A 3 3.335 18.478 4.955 1.00 0.00 N ATOM 0 H LYS A 3 3.894 18.060 1.076 1.00 0.00 H new ATOM 0 HA LYS A 3 4.285 15.284 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.083 17.242 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.718 15.640 0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.929 15.936 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.110 14.647 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.567 15.897 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.869 16.200 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.814 18.367 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.491 18.062 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.141 19.499 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.067 18.031 5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.349 18.326 4.781 1.00 0.00 H new ATOM 53 N VAL A 4 4.220 14.108 -0.674 1.00 0.00 N ATOM 54 CA VAL A 4 4.467 13.407 -1.925 1.00 0.00 C ATOM 55 C VAL A 4 3.831 12.029 -1.839 1.00 0.00 C ATOM 56 O VAL A 4 4.415 11.087 -1.308 1.00 0.00 O ATOM 57 CB VAL A 4 5.976 13.340 -2.241 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.886 12.955 -1.069 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.227 12.402 -3.435 1.00 0.00 C ATOM 0 H VAL A 4 4.298 13.503 0.144 1.00 0.00 H new ATOM 0 HA VAL A 4 4.013 13.952 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 4 6.254 14.366 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.923 12.939 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.775 13.685 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.608 11.967 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.295 12.363 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.868 11.401 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.696 12.776 -4.310 1.00 0.00 H new ATOM 69 N CYS A 5 2.611 11.927 -2.349 1.00 0.00 N ATOM 70 CA CYS A 5 1.853 10.692 -2.292 1.00 0.00 C ATOM 71 C CYS A 5 2.088 9.878 -3.562 1.00 0.00 C ATOM 72 O CYS A 5 2.475 10.431 -4.589 1.00 0.00 O ATOM 73 CB CYS A 5 0.383 10.999 -1.977 1.00 0.00 C ATOM 74 SG CYS A 5 0.157 12.435 -0.873 1.00 0.00 S ATOM 0 H CYS A 5 2.124 12.695 -2.811 1.00 0.00 H new ATOM 0 HA CYS A 5 2.198 10.057 -1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.149 11.181 -2.910 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.072 10.122 -1.517 1.00 0.00 H new ATOM 79 N ILE A 6 1.934 8.553 -3.471 1.00 0.00 N ATOM 80 CA ILE A 6 2.253 7.651 -4.579 1.00 0.00 C ATOM 81 C ILE A 6 1.248 6.497 -4.614 1.00 0.00 C ATOM 82 O ILE A 6 0.619 6.191 -3.602 1.00 0.00 O ATOM 83 CB ILE A 6 3.726 7.169 -4.525 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.307 7.026 -3.116 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.678 8.122 -5.268 1.00 0.00 C ATOM 86 CD1 ILE A 6 3.539 5.988 -2.317 1.00 0.00 C ATOM 0 H ILE A 6 1.588 8.081 -2.636 1.00 0.00 H new ATOM 0 HA ILE A 6 2.161 8.198 -5.517 1.00 0.00 H new ATOM 0 HB ILE A 6 3.669 6.188 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.357 6.739 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.269 7.987 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.698 7.742 -5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.382 8.188 -6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.630 9.112 -4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.970 5.904 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.495 6.290 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.600 5.023 -2.821 1.00 0.00 H new ATOM 98 N ILE A 7 1.082 5.877 -5.787 1.00 0.00 N ATOM 99 CA ILE A 7 0.193 4.737 -5.993 1.00 0.00 C ATOM 100 C ILE A 7 1.019 3.514 -6.393 1.00 0.00 C ATOM 101 O ILE A 7 1.708 3.547 -7.410 1.00 0.00 O ATOM 102 CB ILE A 7 -0.926 5.073 -6.997 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.839 3.848 -7.195 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.425 5.588 -8.355 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.316 4.241 -7.284 1.00 0.00 C ATOM 0 H ILE A 7 1.573 6.162 -6.634 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.317 4.497 -5.060 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.486 5.899 -6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.548 3.323 -8.105 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.698 3.153 -6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.277 5.800 -9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.154 6.500 -8.207 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.204 4.830 -8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.923 3.346 -7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.615 4.743 -6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.463 4.914 -8.128 1.00 0.00 H new ATOM 117 N ALA A 8 0.957 2.451 -5.578 1.00 0.00 N ATOM 118 CA ALA A 8 1.674 1.206 -5.782 1.00 0.00 C ATOM 119 C ALA A 8 0.692 0.093 -6.156 1.00 0.00 C ATOM 120 O ALA A 8 -0.072 -0.366 -5.307 1.00 0.00 O ATOM 121 CB ALA A 8 2.488 0.853 -4.534 1.00 0.00 C ATOM 0 H ALA A 8 0.385 2.445 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 8 2.376 1.322 -6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.021 -0.083 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.205 1.648 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.818 0.742 -3.682 1.00 0.00 H new ATOM 127 N TRP A 9 0.717 -0.338 -7.425 1.00 0.00 N ATOM 128 CA TRP A 9 -0.111 -1.425 -7.933 1.00 0.00 C ATOM 129 C TRP A 9 0.630 -2.749 -7.818 1.00 0.00 C ATOM 130 O TRP A 9 1.710 -2.896 -8.383 1.00 0.00 O ATOM 131 CB TRP A 9 -0.462 -1.178 -9.399 1.00 0.00 C ATOM 132 CG TRP A 9 -1.490 -0.122 -9.613 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.800 -0.261 -9.335 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.339 1.217 -10.164 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.475 0.897 -9.652 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.621 1.841 -10.181 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.253 1.960 -10.671 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.815 3.143 -10.665 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.451 3.238 -11.222 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.718 3.846 -11.186 1.00 0.00 C ATOM 0 H TRP A 9 1.326 0.070 -8.134 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.025 -1.466 -7.340 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.445 -0.900 -9.936 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.819 -2.110 -9.837 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.255 -1.150 -8.924 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.476 1.038 -9.513 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.742 1.542 -10.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.794 3.598 -10.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.379 3.758 -11.678 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.847 4.852 -11.558 1.00 0.00 H new ATOM 151 N VAL A 10 0.024 -3.712 -7.117 1.00 0.00 N ATOM 152 CA VAL A 10 0.586 -5.026 -6.866 1.00 0.00 C ATOM 153 C VAL A 10 -0.023 -6.023 -7.864 1.00 0.00 C ATOM 154 O VAL A 10 -1.195 -6.376 -7.738 1.00 0.00 O ATOM 155 CB VAL A 10 0.294 -5.430 -5.410 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.111 -6.668 -5.054 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.622 -4.346 -4.369 1.00 0.00 C ATOM 0 H VAL A 10 -0.898 -3.587 -6.700 1.00 0.00 H new ATOM 0 HA VAL A 10 1.667 -5.020 -7.003 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.781 -5.608 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.905 -6.956 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.840 -7.487 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.173 -6.447 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.385 -4.716 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.682 -4.099 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.031 -3.454 -4.574 1.00 0.00 H new ATOM 167 N TYR A 11 0.769 -6.486 -8.841 1.00 0.00 N ATOM 168 CA TYR A 11 0.352 -7.488 -9.820 1.00 0.00 C ATOM 169 C TYR A 11 0.263 -8.877 -9.193 1.00 0.00 C ATOM 170 O TYR A 11 0.589 -9.070 -8.023 1.00 0.00 O ATOM 171 CB TYR A 11 1.306 -7.525 -11.019 1.00 0.00 C ATOM 172 CG TYR A 11 1.308 -6.260 -11.837 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.282 -6.025 -12.770 1.00 0.00 C ATOM 174 CD2 TYR A 11 2.340 -5.325 -11.679 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.319 -4.878 -13.579 1.00 0.00 C ATOM 176 CE2 TYR A 11 2.359 -4.167 -12.463 1.00 0.00 C ATOM 177 CZ TYR A 11 1.368 -3.955 -13.435 1.00 0.00 C ATOM 178 OH TYR A 11 1.431 -2.860 -14.243 1.00 0.00 O ATOM 0 H TYR A 11 1.729 -6.168 -8.972 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.639 -7.198 -10.168 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.317 -7.716 -10.660 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.033 -8.362 -11.662 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.534 -6.726 -12.864 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.120 -5.499 -10.952 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.457 -4.706 -14.310 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.139 -3.433 -12.320 1.00 0.00 H new ATOM 0 HH TYR A 11 0.525 -2.593 -14.504 1.00 0.00 H new ATOM 188 N GLY A 12 -0.163 -9.855 -10.002 1.00 0.00 N ATOM 189 CA GLY A 12 -0.257 -11.236 -9.580 1.00 0.00 C ATOM 190 C GLY A 12 -1.363 -11.431 -8.554 1.00 0.00 C ATOM 191 O GLY A 12 -2.174 -10.534 -8.330 1.00 0.00 O ATOM 0 H GLY A 12 -0.450 -9.698 -10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.447 -11.870 -10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.695 -11.553 -9.155 1.00 0.00 H new ATOM 195 N ARG A 13 -1.391 -12.616 -7.939 1.00 0.00 N ATOM 196 CA ARG A 13 -2.444 -12.997 -7.009 1.00 0.00 C ATOM 197 C ARG A 13 -2.059 -12.642 -5.577 1.00 0.00 C ATOM 198 O ARG A 13 -1.426 -13.441 -4.890 1.00 0.00 O ATOM 199 CB ARG A 13 -2.779 -14.484 -7.113 1.00 0.00 C ATOM 200 CG ARG A 13 -2.914 -14.950 -8.563 1.00 0.00 C ATOM 201 CD ARG A 13 -3.713 -16.254 -8.643 1.00 0.00 C ATOM 202 NE ARG A 13 -3.529 -16.883 -9.957 1.00 0.00 N ATOM 203 CZ ARG A 13 -4.239 -17.913 -10.443 1.00 0.00 C ATOM 204 NH1 ARG A 13 -5.250 -18.450 -9.745 1.00 0.00 N ATOM 205 NH2 ARG A 13 -3.925 -18.408 -11.647 1.00 0.00 N ATOM 0 H ARG A 13 -0.681 -13.335 -8.076 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.336 -12.433 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.000 -15.065 -6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.710 -14.682 -6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.409 -14.178 -9.153 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.925 -15.097 -8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.389 -16.936 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.771 -16.052 -8.474 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.795 -16.503 -10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.491 -18.076 -8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.778 -19.233 -10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.156 -18.002 -12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.455 -19.191 -12.031 1.00 0.00 H new ATOM 219 N VAL A 14 -2.453 -11.444 -5.142 1.00 0.00 N ATOM 220 CA VAL A 14 -2.175 -10.926 -3.804 1.00 0.00 C ATOM 221 C VAL A 14 -3.469 -10.759 -3.003 1.00 0.00 C ATOM 222 O VAL A 14 -3.456 -10.910 -1.781 1.00 0.00 O ATOM 223 CB VAL A 14 -1.348 -9.634 -3.914 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.004 -9.048 -2.535 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.038 -9.990 -4.632 1.00 0.00 C ATOM 0 H VAL A 14 -2.985 -10.795 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.575 -11.643 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.930 -8.888 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.420 -8.137 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.924 -8.817 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.424 -9.774 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.578 -9.096 -4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.501 -10.741 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.262 -10.386 -5.623 1.00 0.00 H new ATOM 235 N GLN A 15 -4.589 -10.462 -3.676 1.00 0.00 N ATOM 236 CA GLN A 15 -5.875 -10.309 -3.013 1.00 0.00 C ATOM 237 C GLN A 15 -6.391 -11.665 -2.523 1.00 0.00 C ATOM 238 O GLN A 15 -6.125 -12.695 -3.141 1.00 0.00 O ATOM 239 CB GLN A 15 -6.878 -9.605 -3.937 1.00 0.00 C ATOM 240 CG GLN A 15 -7.364 -10.458 -5.111 1.00 0.00 C ATOM 241 CD GLN A 15 -8.447 -9.726 -5.899 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.536 -10.257 -6.095 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.163 -8.498 -6.335 1.00 0.00 N ATOM 0 H GLN A 15 -4.622 -10.324 -4.686 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.748 -9.676 -2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.741 -9.295 -3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.418 -8.698 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.526 -10.693 -5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.755 -11.406 -4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.246 -8.091 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.863 -7.966 -6.852 1.00 0.00 H new ATOM 252 N GLY A 16 -7.133 -11.654 -1.411 1.00 0.00 N ATOM 253 CA GLY A 16 -7.756 -12.840 -0.843 1.00 0.00 C ATOM 254 C GLY A 16 -6.806 -13.646 0.044 1.00 0.00 C ATOM 255 O GLY A 16 -7.031 -14.838 0.249 1.00 0.00 O ATOM 0 H GLY A 16 -7.317 -10.805 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.626 -12.542 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.118 -13.476 -1.651 1.00 0.00 H new ATOM 259 N VAL A 17 -5.759 -13.002 0.573 1.00 0.00 N ATOM 260 CA VAL A 17 -4.748 -13.614 1.424 1.00 0.00 C ATOM 261 C VAL A 17 -4.804 -12.982 2.814 1.00 0.00 C ATOM 262 O VAL A 17 -4.831 -13.694 3.815 1.00 0.00 O ATOM 263 CB VAL A 17 -3.376 -13.437 0.761 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.235 -13.906 1.664 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.320 -14.233 -0.551 1.00 0.00 C ATOM 0 H VAL A 17 -5.592 -12.009 0.412 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.932 -14.682 1.544 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.250 -12.371 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.283 -13.761 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.242 -13.328 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.365 -14.963 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.342 -14.102 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.483 -15.290 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.094 -13.873 -1.228 1.00 0.00 H new ATOM 275 N GLY A 18 -4.817 -11.644 2.860 1.00 0.00 N ATOM 276 CA GLY A 18 -4.866 -10.849 4.071 1.00 0.00 C ATOM 277 C GLY A 18 -3.645 -9.945 4.196 1.00 0.00 C ATOM 278 O GLY A 18 -3.217 -9.660 5.311 1.00 0.00 O ATOM 0 H GLY A 18 -4.792 -11.073 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.771 -10.242 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.923 -11.508 4.938 1.00 0.00 H new ATOM 282 N PHE A 19 -3.102 -9.476 3.061 1.00 0.00 N ATOM 283 CA PHE A 19 -1.966 -8.565 3.021 1.00 0.00 C ATOM 284 C PHE A 19 -2.183 -7.362 3.936 1.00 0.00 C ATOM 285 O PHE A 19 -1.241 -6.905 4.571 1.00 0.00 O ATOM 286 CB PHE A 19 -1.711 -8.097 1.580 1.00 0.00 C ATOM 287 CG PHE A 19 -0.248 -8.115 1.194 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.356 -9.344 0.883 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.498 -6.926 1.107 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.691 -9.382 0.461 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.828 -6.964 0.653 1.00 0.00 C ATOM 292 CZ PHE A 19 2.430 -8.197 0.347 1.00 0.00 C ATOM 0 H PHE A 19 -3.451 -9.728 2.136 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.091 -9.106 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.268 -8.735 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.099 -7.085 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.209 -10.260 0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.050 -5.985 1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.153 -10.329 0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.387 -6.047 0.539 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.460 -8.231 0.025 1.00 0.00 H new ATOM 302 N ARG A 20 -3.426 -6.869 4.017 1.00 0.00 N ATOM 303 CA ARG A 20 -3.822 -5.759 4.872 1.00 0.00 C ATOM 304 C ARG A 20 -3.918 -6.174 6.350 1.00 0.00 C ATOM 305 O ARG A 20 -4.951 -5.963 6.984 1.00 0.00 O ATOM 306 CB ARG A 20 -5.140 -5.156 4.352 1.00 0.00 C ATOM 307 CG ARG A 20 -6.288 -6.176 4.219 1.00 0.00 C ATOM 308 CD ARG A 20 -7.622 -5.630 4.748 1.00 0.00 C ATOM 309 NE ARG A 20 -7.687 -5.728 6.214 1.00 0.00 N ATOM 310 CZ ARG A 20 -8.797 -5.738 6.973 1.00 0.00 C ATOM 311 NH1 ARG A 20 -10.015 -5.626 6.427 1.00 0.00 N ATOM 312 NH2 ARG A 20 -8.681 -5.869 8.301 1.00 0.00 N ATOM 0 H ARG A 20 -4.200 -7.247 3.471 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.048 -4.992 4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.453 -4.358 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.959 -4.699 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.403 -6.455 3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.029 -7.084 4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.740 -4.590 4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.448 -6.187 4.306 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.797 -5.795 6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.114 -5.531 5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.843 -5.636 7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.758 -5.960 8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.516 -5.878 8.887 1.00 0.00 H new ATOM 326 N TYR A 21 -2.840 -6.735 6.913 1.00 0.00 N ATOM 327 CA TYR A 21 -2.797 -7.169 8.304 1.00 0.00 C ATOM 328 C TYR A 21 -2.202 -6.054 9.162 1.00 0.00 C ATOM 329 O TYR A 21 -2.929 -5.388 9.896 1.00 0.00 O ATOM 330 CB TYR A 21 -2.023 -8.491 8.428 1.00 0.00 C ATOM 331 CG TYR A 21 -2.321 -9.270 9.698 1.00 0.00 C ATOM 332 CD1 TYR A 21 -1.884 -8.793 10.949 1.00 0.00 C ATOM 333 CD2 TYR A 21 -3.052 -10.470 9.627 1.00 0.00 C ATOM 334 CE1 TYR A 21 -2.182 -9.511 12.121 1.00 0.00 C ATOM 335 CE2 TYR A 21 -3.333 -11.197 10.797 1.00 0.00 C ATOM 336 CZ TYR A 21 -2.900 -10.717 12.044 1.00 0.00 C ATOM 337 OH TYR A 21 -3.175 -11.426 13.177 1.00 0.00 O ATOM 0 H TYR A 21 -1.970 -6.899 6.407 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.806 -7.365 8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.256 -9.118 7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.955 -8.279 8.387 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.319 -7.874 11.008 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.398 -10.834 8.671 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.859 -9.136 13.081 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.882 -12.125 10.737 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.679 -12.233 12.943 1.00 0.00 H new ATOM 347 N THR A 22 -0.881 -5.851 9.061 1.00 0.00 N ATOM 348 CA THR A 22 -0.162 -4.845 9.832 1.00 0.00 C ATOM 349 C THR A 22 -0.130 -3.494 9.108 1.00 0.00 C ATOM 350 O THR A 22 0.398 -2.535 9.664 1.00 0.00 O ATOM 351 CB THR A 22 1.233 -5.361 10.233 1.00 0.00 C ATOM 352 OG1 THR A 22 1.787 -4.537 11.236 1.00 0.00 O ATOM 353 CG2 THR A 22 2.206 -5.448 9.058 1.00 0.00 C ATOM 0 H THR A 22 -0.282 -6.389 8.434 1.00 0.00 H new ATOM 0 HA THR A 22 -0.704 -4.665 10.760 1.00 0.00 H new ATOM 0 HB THR A 22 1.088 -6.374 10.608 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.543 -3.603 11.064 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.169 -5.818 9.410 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.808 -6.129 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.336 -4.459 8.619 1.00 0.00 H new ATOM 361 N THR A 23 -0.706 -3.399 7.895 1.00 0.00 N ATOM 362 CA THR A 23 -0.764 -2.162 7.118 1.00 0.00 C ATOM 363 C THR A 23 -1.233 -0.964 7.962 1.00 0.00 C ATOM 364 O THR A 23 -0.722 0.141 7.801 1.00 0.00 O ATOM 365 CB THR A 23 -1.620 -2.362 5.851 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.453 -1.261 4.985 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.113 -2.569 6.122 1.00 0.00 C ATOM 0 H THR A 23 -1.147 -4.192 7.428 1.00 0.00 H new ATOM 0 HA THR A 23 0.249 -1.918 6.799 1.00 0.00 H new ATOM 0 HB THR A 23 -1.261 -3.284 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.158 -0.602 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.639 -2.701 5.177 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.251 -3.455 6.741 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.513 -1.698 6.641 1.00 0.00 H new ATOM 375 N GLN A 24 -2.179 -1.201 8.884 1.00 0.00 N ATOM 376 CA GLN A 24 -2.692 -0.203 9.814 1.00 0.00 C ATOM 377 C GLN A 24 -1.643 0.127 10.879 1.00 0.00 C ATOM 378 O GLN A 24 -1.302 1.293 11.068 1.00 0.00 O ATOM 379 CB GLN A 24 -3.974 -0.719 10.483 1.00 0.00 C ATOM 380 CG GLN A 24 -5.114 -0.946 9.477 1.00 0.00 C ATOM 381 CD GLN A 24 -6.243 0.069 9.576 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.789 0.435 8.422 1.00 0.00 O flip ATOM 383 NE2 GLN A 24 -6.654 0.472 10.661 1.00 0.00 N flip ATOM 0 H GLN A 24 -2.614 -2.116 9.000 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.920 0.706 9.257 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.759 -1.654 11.000 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.298 -0.004 11.239 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.704 -0.919 8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.524 -1.945 9.628 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.204 0.164 11.523 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.445 1.114 10.700 1.00 0.00 H new ATOM 392 N TYR A 25 -1.160 -0.896 11.598 1.00 0.00 N ATOM 393 CA TYR A 25 -0.219 -0.736 12.703 1.00 0.00 C ATOM 394 C TYR A 25 1.006 0.057 12.257 1.00 0.00 C ATOM 395 O TYR A 25 1.345 1.072 12.860 1.00 0.00 O ATOM 396 CB TYR A 25 0.202 -2.109 13.251 1.00 0.00 C ATOM 397 CG TYR A 25 0.252 -2.172 14.766 1.00 0.00 C ATOM 398 CD1 TYR A 25 1.367 -1.673 15.467 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.834 -2.716 15.476 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.408 -1.755 16.872 1.00 0.00 C ATOM 401 CE2 TYR A 25 -0.790 -2.801 16.876 1.00 0.00 C ATOM 402 CZ TYR A 25 0.333 -2.327 17.575 1.00 0.00 C ATOM 403 OH TYR A 25 0.372 -2.425 18.936 1.00 0.00 O ATOM 0 H TYR A 25 -1.418 -1.867 11.422 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.716 -0.181 13.499 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.495 -2.864 12.888 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.184 -2.363 12.853 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.190 -1.228 14.927 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.704 -3.069 14.942 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.265 -1.378 17.410 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.620 -3.231 17.417 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.453 -2.844 19.258 1.00 0.00 H new ATOM 413 N GLU A 26 1.649 -0.411 11.181 1.00 0.00 N ATOM 414 CA GLU A 26 2.802 0.229 10.577 1.00 0.00 C ATOM 415 C GLU A 26 2.500 1.693 10.267 1.00 0.00 C ATOM 416 O GLU A 26 3.286 2.572 10.612 1.00 0.00 O ATOM 417 CB GLU A 26 3.219 -0.531 9.310 1.00 0.00 C ATOM 418 CG GLU A 26 4.580 -1.230 9.449 1.00 0.00 C ATOM 419 CD GLU A 26 4.507 -2.507 10.287 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.097 -2.401 11.467 1.00 0.00 O ATOM 421 OE2 GLU A 26 4.874 -3.566 9.740 1.00 0.00 O ATOM 0 H GLU A 26 1.368 -1.266 10.702 1.00 0.00 H new ATOM 0 HA GLU A 26 3.633 0.203 11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.458 -1.274 9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.258 0.165 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.962 -1.473 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.292 -0.542 9.905 1.00 0.00 H new ATOM 428 N ALA A 27 1.350 1.952 9.631 1.00 0.00 N ATOM 429 CA ALA A 27 0.938 3.302 9.283 1.00 0.00 C ATOM 430 C ALA A 27 0.875 4.229 10.498 1.00 0.00 C ATOM 431 O ALA A 27 1.037 5.436 10.350 1.00 0.00 O ATOM 432 CB ALA A 27 -0.409 3.276 8.551 1.00 0.00 C ATOM 0 H ALA A 27 0.688 1.230 9.348 1.00 0.00 H new ATOM 0 HA ALA A 27 1.699 3.708 8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.705 4.294 8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.316 2.687 7.639 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.165 2.829 9.196 1.00 0.00 H new ATOM 438 N LYS A 28 0.652 3.666 11.692 1.00 0.00 N ATOM 439 CA LYS A 28 0.603 4.411 12.943 1.00 0.00 C ATOM 440 C LYS A 28 1.996 4.860 13.397 1.00 0.00 C ATOM 441 O LYS A 28 2.119 5.878 14.076 1.00 0.00 O ATOM 442 CB LYS A 28 -0.100 3.556 14.010 1.00 0.00 C ATOM 443 CG LYS A 28 -0.773 4.432 15.073 1.00 0.00 C ATOM 444 CD LYS A 28 -1.999 3.749 15.697 1.00 0.00 C ATOM 445 CE LYS A 28 -3.012 4.823 16.108 1.00 0.00 C ATOM 446 NZ LYS A 28 -4.061 4.286 16.991 1.00 0.00 N ATOM 0 H LYS A 28 0.499 2.665 11.811 1.00 0.00 H new ATOM 0 HA LYS A 28 0.030 5.325 12.788 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.846 2.919 13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.625 2.896 14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.053 4.668 15.856 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.076 5.378 14.623 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.450 3.059 14.983 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.701 3.160 16.565 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.492 5.636 16.616 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.472 5.247 15.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.724 5.046 17.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.575 3.528 16.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.626 3.904 17.855 1.00 0.00 H new ATOM 460 N ARG A 29 3.042 4.110 13.026 1.00 0.00 N ATOM 461 CA ARG A 29 4.427 4.409 13.362 1.00 0.00 C ATOM 462 C ARG A 29 4.916 5.618 12.556 1.00 0.00 C ATOM 463 O ARG A 29 5.602 6.479 13.103 1.00 0.00 O ATOM 464 CB ARG A 29 5.306 3.174 13.100 1.00 0.00 C ATOM 465 CG ARG A 29 4.799 1.924 13.835 1.00 0.00 C ATOM 466 CD ARG A 29 5.399 0.637 13.252 1.00 0.00 C ATOM 467 NE ARG A 29 6.585 0.184 13.986 1.00 0.00 N ATOM 468 CZ ARG A 29 6.550 -0.421 15.186 1.00 0.00 C ATOM 469 NH1 ARG A 29 5.384 -0.632 15.813 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.694 -0.812 15.761 1.00 0.00 N ATOM 0 H ARG A 29 2.939 3.260 12.471 1.00 0.00 H new ATOM 0 HA ARG A 29 4.496 4.660 14.420 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.336 2.974 12.029 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.328 3.386 13.414 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.052 1.996 14.893 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.712 1.880 13.770 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.645 -0.150 13.267 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.665 0.805 12.208 1.00 0.00 H new ATOM 0 HE ARG A 29 7.498 0.338 13.557 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.510 -0.332 15.380 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.370 -1.092 16.723 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.583 -0.650 15.289 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.676 -1.272 16.671 1.00 0.00 H new ATOM 484 N LEU A 30 4.564 5.681 11.264 1.00 0.00 N ATOM 485 CA LEU A 30 4.973 6.758 10.368 1.00 0.00 C ATOM 486 C LEU A 30 4.011 7.941 10.443 1.00 0.00 C ATOM 487 O LEU A 30 4.448 9.074 10.630 1.00 0.00 O ATOM 488 CB LEU A 30 5.084 6.239 8.927 1.00 0.00 C ATOM 489 CG LEU A 30 6.288 5.329 8.645 1.00 0.00 C ATOM 490 CD1 LEU A 30 7.606 5.973 9.096 1.00 0.00 C ATOM 491 CD2 LEU A 30 6.153 3.922 9.224 1.00 0.00 C ATOM 0 H LEU A 30 3.981 4.976 10.813 1.00 0.00 H new ATOM 0 HA LEU A 30 5.953 7.110 10.690 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.173 5.693 8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.131 7.095 8.253 1.00 0.00 H new ATOM 0 HG LEU A 30 6.305 5.214 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.434 5.298 8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.754 6.912 8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.568 6.168 10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.043 3.342 8.982 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.043 3.983 10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.276 3.436 8.797 1.00 0.00 H new ATOM 503 N GLY A 31 2.712 7.678 10.269 1.00 0.00 N ATOM 504 CA GLY A 31 1.665 8.688 10.276 1.00 0.00 C ATOM 505 C GLY A 31 1.191 9.067 8.872 1.00 0.00 C ATOM 506 O GLY A 31 0.413 10.008 8.730 1.00 0.00 O ATOM 0 H GLY A 31 2.358 6.734 10.116 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.817 8.320 10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.032 9.580 10.783 1.00 0.00 H new ATOM 510 N LEU A 32 1.636 8.337 7.840 1.00 0.00 N ATOM 511 CA LEU A 32 1.166 8.514 6.470 1.00 0.00 C ATOM 512 C LEU A 32 -0.341 8.274 6.354 1.00 0.00 C ATOM 513 O LEU A 32 -0.979 7.747 7.267 1.00 0.00 O ATOM 514 CB LEU A 32 1.963 7.634 5.488 1.00 0.00 C ATOM 515 CG LEU A 32 1.614 6.138 5.380 1.00 0.00 C ATOM 516 CD1 LEU A 32 1.438 5.484 6.739 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.388 5.810 4.525 1.00 0.00 C ATOM 0 H LEU A 32 2.337 7.603 7.939 1.00 0.00 H new ATOM 0 HA LEU A 32 1.344 9.553 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.858 8.070 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.016 7.708 5.759 1.00 0.00 H new ATOM 0 HG LEU A 32 2.484 5.727 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.193 4.430 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.363 5.573 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.631 5.979 7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.230 4.732 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.490 6.302 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.550 6.163 3.506 1.00 0.00 H new ATOM 529 N THR A 33 -0.903 8.659 5.209 1.00 0.00 N ATOM 530 CA THR A 33 -2.331 8.559 4.945 1.00 0.00 C ATOM 531 C THR A 33 -2.525 7.829 3.618 1.00 0.00 C ATOM 532 O THR A 33 -1.630 7.850 2.777 1.00 0.00 O ATOM 533 CB THR A 33 -2.954 9.964 4.929 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.396 10.764 3.913 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.795 10.686 6.268 1.00 0.00 C ATOM 0 H THR A 33 -0.371 9.053 4.433 1.00 0.00 H new ATOM 0 HA THR A 33 -2.834 7.993 5.728 1.00 0.00 H new ATOM 0 HB THR A 33 -4.017 9.816 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.693 11.691 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.251 11.674 6.205 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.285 10.109 7.053 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.735 10.790 6.502 1.00 0.00 H new ATOM 543 N GLY A 34 -3.678 7.189 3.406 1.00 0.00 N ATOM 544 CA GLY A 34 -3.948 6.505 2.150 1.00 0.00 C ATOM 545 C GLY A 34 -4.978 5.407 2.322 1.00 0.00 C ATOM 546 O GLY A 34 -5.876 5.513 3.153 1.00 0.00 O ATOM 0 H GLY A 34 -4.434 7.133 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.303 7.225 1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.023 6.079 1.761 1.00 0.00 H new ATOM 550 N TYR A 35 -4.830 4.351 1.521 1.00 0.00 N ATOM 551 CA TYR A 35 -5.649 3.151 1.648 1.00 0.00 C ATOM 552 C TYR A 35 -5.124 1.997 0.801 1.00 0.00 C ATOM 553 O TYR A 35 -4.309 2.209 -0.093 1.00 0.00 O ATOM 554 CB TYR A 35 -7.106 3.432 1.258 1.00 0.00 C ATOM 555 CG TYR A 35 -7.315 3.727 -0.213 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.517 2.675 -1.126 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.252 5.054 -0.679 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.634 2.949 -2.498 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.423 5.329 -2.046 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.614 4.275 -2.957 1.00 0.00 C ATOM 561 OH TYR A 35 -7.784 4.530 -4.285 1.00 0.00 O ATOM 0 H TYR A 35 -4.141 4.306 0.770 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.598 2.860 2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.715 2.571 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.468 4.279 1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.582 1.657 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.072 5.861 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.740 2.137 -3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.408 6.350 -2.397 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.745 5.497 -4.440 1.00 0.00 H new ATOM 571 N ALA A 36 -5.638 0.788 1.073 1.00 0.00 N ATOM 572 CA ALA A 36 -5.274 -0.427 0.357 1.00 0.00 C ATOM 573 C ALA A 36 -6.513 -1.206 -0.104 1.00 0.00 C ATOM 574 O ALA A 36 -7.117 -1.915 0.702 1.00 0.00 O ATOM 575 CB ALA A 36 -4.383 -1.269 1.272 1.00 0.00 C ATOM 0 H ALA A 36 -6.327 0.633 1.809 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.728 -0.170 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.097 -2.186 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.488 -0.703 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.929 -1.519 2.182 1.00 0.00 H new ATOM 581 N LYS A 37 -6.884 -1.083 -1.388 1.00 0.00 N ATOM 582 CA LYS A 37 -8.018 -1.784 -1.998 1.00 0.00 C ATOM 583 C LYS A 37 -7.534 -2.922 -2.897 1.00 0.00 C ATOM 584 O LYS A 37 -6.334 -3.141 -3.036 1.00 0.00 O ATOM 585 CB LYS A 37 -8.928 -0.808 -2.774 1.00 0.00 C ATOM 586 CG LYS A 37 -10.182 -0.488 -1.953 1.00 0.00 C ATOM 587 CD LYS A 37 -11.197 0.372 -2.711 1.00 0.00 C ATOM 588 CE LYS A 37 -12.324 0.802 -1.761 1.00 0.00 C ATOM 589 NZ LYS A 37 -13.351 1.596 -2.460 1.00 0.00 N ATOM 0 H LYS A 37 -6.390 -0.478 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.613 -2.219 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.384 0.111 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.213 -1.247 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.659 -1.421 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.888 0.029 -1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.704 1.251 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.609 -0.189 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.785 -0.081 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.906 1.387 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.096 1.869 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.916 2.451 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.767 1.028 -3.226 1.00 0.00 H new ATOM 603 N ASN A 38 -8.484 -3.648 -3.500 1.00 0.00 N ATOM 604 CA ASN A 38 -8.229 -4.786 -4.369 1.00 0.00 C ATOM 605 C ASN A 38 -8.884 -4.535 -5.726 1.00 0.00 C ATOM 606 O ASN A 38 -9.997 -4.014 -5.786 1.00 0.00 O ATOM 607 CB ASN A 38 -8.713 -6.089 -3.714 1.00 0.00 C ATOM 608 CG ASN A 38 -8.397 -6.169 -2.232 1.00 0.00 C ATOM 609 OD1 ASN A 38 -9.006 -5.477 -1.423 1.00 0.00 O ATOM 610 ND2 ASN A 38 -7.482 -7.046 -1.849 1.00 0.00 N ATOM 0 H ASN A 38 -9.478 -3.448 -3.388 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.157 -4.901 -4.527 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.790 -6.180 -3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.253 -6.936 -4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.268 -7.160 -0.858 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.991 -7.608 -2.545 1.00 0.00 H new ATOM 617 N LEU A 39 -8.183 -4.892 -6.808 1.00 0.00 N ATOM 618 CA LEU A 39 -8.678 -4.806 -8.175 1.00 0.00 C ATOM 619 C LEU A 39 -9.723 -5.894 -8.432 1.00 0.00 C ATOM 620 O LEU A 39 -10.012 -6.716 -7.565 1.00 0.00 O ATOM 621 CB LEU A 39 -7.501 -4.907 -9.173 1.00 0.00 C ATOM 622 CG LEU A 39 -6.826 -3.554 -9.467 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.616 -3.712 -10.396 1.00 0.00 C ATOM 624 CD2 LEU A 39 -7.819 -2.589 -10.132 1.00 0.00 C ATOM 0 H LEU A 39 -7.232 -5.257 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.162 -3.840 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.756 -5.597 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.864 -5.334 -10.108 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.492 -3.155 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.168 -2.735 -10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.881 -4.367 -9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.938 -4.146 -11.342 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.324 -1.639 -10.332 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.172 -3.019 -11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.667 -2.424 -9.467 1.00 0.00 H new ATOM 636 N ASP A 40 -10.286 -5.890 -9.642 1.00 0.00 N ATOM 637 CA ASP A 40 -11.266 -6.869 -10.095 1.00 0.00 C ATOM 638 C ASP A 40 -10.616 -7.928 -10.998 1.00 0.00 C ATOM 639 O ASP A 40 -11.332 -8.682 -11.654 1.00 0.00 O ATOM 640 CB ASP A 40 -12.407 -6.132 -10.813 1.00 0.00 C ATOM 641 CG ASP A 40 -13.141 -5.171 -9.879 1.00 0.00 C ATOM 642 OD1 ASP A 40 -12.619 -4.051 -9.685 1.00 0.00 O ATOM 643 OD2 ASP A 40 -14.211 -5.574 -9.374 1.00 0.00 O ATOM 0 H ASP A 40 -10.065 -5.188 -10.348 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.673 -7.402 -9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.004 -5.578 -11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.113 -6.859 -11.214 1.00 0.00 H new ATOM 648 N ASP A 41 -9.275 -7.993 -11.027 1.00 0.00 N ATOM 649 CA ASP A 41 -8.501 -8.902 -11.869 1.00 0.00 C ATOM 650 C ASP A 41 -7.661 -9.881 -11.034 1.00 0.00 C ATOM 651 O ASP A 41 -7.187 -10.884 -11.563 1.00 0.00 O ATOM 652 CB ASP A 41 -7.624 -8.075 -12.828 1.00 0.00 C ATOM 653 CG ASP A 41 -7.462 -8.719 -14.207 1.00 0.00 C ATOM 654 OD1 ASP A 41 -7.274 -9.954 -14.260 1.00 0.00 O ATOM 655 OD2 ASP A 41 -7.527 -7.957 -15.195 1.00 0.00 O ATOM 0 H ASP A 41 -8.688 -7.394 -10.446 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.189 -9.514 -12.452 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.062 -7.084 -12.947 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.639 -7.937 -12.381 1.00 0.00 H new ATOM 660 N GLY A 42 -7.478 -9.603 -9.733 1.00 0.00 N ATOM 661 CA GLY A 42 -6.710 -10.419 -8.805 1.00 0.00 C ATOM 662 C GLY A 42 -5.567 -9.673 -8.110 1.00 0.00 C ATOM 663 O GLY A 42 -4.782 -10.286 -7.389 1.00 0.00 O ATOM 0 H GLY A 42 -7.878 -8.774 -9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.383 -10.817 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.297 -11.272 -9.344 1.00 0.00 H new ATOM 667 N SER A 43 -5.468 -8.360 -8.329 1.00 0.00 N ATOM 668 CA SER A 43 -4.369 -7.507 -7.888 1.00 0.00 C ATOM 669 C SER A 43 -4.784 -6.617 -6.709 1.00 0.00 C ATOM 670 O SER A 43 -5.960 -6.580 -6.358 1.00 0.00 O ATOM 671 CB SER A 43 -3.933 -6.678 -9.098 1.00 0.00 C ATOM 672 OG SER A 43 -3.084 -7.458 -9.906 1.00 0.00 O ATOM 0 H SER A 43 -6.183 -7.843 -8.840 1.00 0.00 H new ATOM 0 HA SER A 43 -3.538 -8.111 -7.523 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.805 -6.357 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.416 -5.776 -8.770 1.00 0.00 H new ATOM 0 HG SER A 43 -2.801 -6.934 -10.685 1.00 0.00 H new ATOM 678 N VAL A 44 -3.810 -5.943 -6.072 1.00 0.00 N ATOM 679 CA VAL A 44 -4.030 -5.117 -4.880 1.00 0.00 C ATOM 680 C VAL A 44 -3.467 -3.707 -5.094 1.00 0.00 C ATOM 681 O VAL A 44 -2.302 -3.577 -5.454 1.00 0.00 O ATOM 682 CB VAL A 44 -3.409 -5.809 -3.650 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.590 -4.981 -2.371 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.100 -7.158 -3.417 1.00 0.00 C ATOM 0 H VAL A 44 -2.837 -5.959 -6.378 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.100 -5.010 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.345 -5.928 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.137 -5.507 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.108 -4.011 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.653 -4.836 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.660 -7.647 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.164 -6.997 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.967 -7.791 -4.294 1.00 0.00 H new ATOM 694 N GLU A 45 -4.269 -2.656 -4.872 1.00 0.00 N ATOM 695 CA GLU A 45 -3.857 -1.266 -5.062 1.00 0.00 C ATOM 696 C GLU A 45 -3.610 -0.581 -3.719 1.00 0.00 C ATOM 697 O GLU A 45 -4.533 -0.513 -2.909 1.00 0.00 O ATOM 698 CB GLU A 45 -4.946 -0.477 -5.796 1.00 0.00 C ATOM 699 CG GLU A 45 -5.530 -1.232 -6.987 1.00 0.00 C ATOM 700 CD GLU A 45 -6.159 -0.261 -7.982 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.906 0.629 -7.520 1.00 0.00 O ATOM 702 OE2 GLU A 45 -5.867 -0.406 -9.187 1.00 0.00 O ATOM 0 H GLU A 45 -5.233 -2.753 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.938 -1.280 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.747 -0.237 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.531 0.470 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.746 -1.808 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.280 -1.944 -6.641 1.00 0.00 H new ATOM 709 N VAL A 46 -2.401 -0.051 -3.490 1.00 0.00 N ATOM 710 CA VAL A 46 -2.041 0.603 -2.234 1.00 0.00 C ATOM 711 C VAL A 46 -1.629 2.051 -2.508 1.00 0.00 C ATOM 712 O VAL A 46 -0.936 2.305 -3.488 1.00 0.00 O ATOM 713 CB VAL A 46 -0.912 -0.194 -1.559 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.512 0.413 -0.208 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.355 -1.643 -1.300 1.00 0.00 C ATOM 0 H VAL A 46 -1.646 -0.066 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.895 0.625 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.062 -0.162 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.288 -0.180 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.166 1.436 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.374 0.415 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.543 -2.192 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.228 -1.645 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.608 -2.121 -2.246 1.00 0.00 H new ATOM 725 N VAL A 47 -2.046 2.997 -1.657 1.00 0.00 N ATOM 726 CA VAL A 47 -1.747 4.421 -1.798 1.00 0.00 C ATOM 727 C VAL A 47 -1.209 4.956 -0.472 1.00 0.00 C ATOM 728 O VAL A 47 -1.690 4.533 0.579 1.00 0.00 O ATOM 729 CB VAL A 47 -3.017 5.206 -2.167 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.660 6.584 -2.734 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.903 4.476 -3.184 1.00 0.00 C ATOM 0 H VAL A 47 -2.612 2.786 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.007 4.545 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.580 5.308 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.574 7.121 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.101 7.150 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.050 6.462 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.782 5.082 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.341 4.309 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.217 3.517 -2.771 1.00 0.00 H new ATOM 741 N ALA A 48 -0.229 5.871 -0.520 1.00 0.00 N ATOM 742 CA ALA A 48 0.399 6.393 0.689 1.00 0.00 C ATOM 743 C ALA A 48 0.904 7.812 0.457 1.00 0.00 C ATOM 744 O ALA A 48 1.447 8.085 -0.608 1.00 0.00 O ATOM 745 CB ALA A 48 1.581 5.497 1.055 1.00 0.00 C ATOM 0 H ALA A 48 0.141 6.261 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.335 6.407 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.060 5.877 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.227 4.481 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.301 5.493 0.237 1.00 0.00 H new ATOM 751 N CYS A 49 0.737 8.690 1.451 1.00 0.00 N ATOM 752 CA CYS A 49 1.057 10.117 1.405 1.00 0.00 C ATOM 753 C CYS A 49 2.239 10.442 2.323 1.00 0.00 C ATOM 754 O CYS A 49 2.791 9.557 2.964 1.00 0.00 O ATOM 755 CB CYS A 49 -0.217 10.892 1.796 1.00 0.00 C ATOM 756 SG CYS A 49 -1.165 11.791 0.528 1.00 0.00 S ATOM 0 H CYS A 49 0.356 8.409 2.354 1.00 0.00 H new ATOM 0 HA CYS A 49 1.367 10.412 0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.897 10.181 2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.066 11.615 2.561 1.00 0.00 H new ATOM 761 N GLY A 50 2.638 11.715 2.387 1.00 0.00 N ATOM 762 CA GLY A 50 3.735 12.154 3.248 1.00 0.00 C ATOM 763 C GLY A 50 5.073 12.068 2.516 1.00 0.00 C ATOM 764 O GLY A 50 5.102 12.141 1.291 1.00 0.00 O ATOM 0 H GLY A 50 2.211 12.466 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.559 13.180 3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.767 11.537 4.146 1.00 0.00 H new ATOM 768 N GLU A 51 6.179 11.933 3.259 1.00 0.00 N ATOM 769 CA GLU A 51 7.520 11.869 2.687 1.00 0.00 C ATOM 770 C GLU A 51 7.808 10.459 2.176 1.00 0.00 C ATOM 771 O GLU A 51 7.615 9.496 2.915 1.00 0.00 O ATOM 772 CB GLU A 51 8.571 12.274 3.729 1.00 0.00 C ATOM 773 CG GLU A 51 8.352 13.697 4.262 1.00 0.00 C ATOM 774 CD GLU A 51 7.812 13.687 5.687 1.00 0.00 C ATOM 775 OE1 GLU A 51 8.652 13.552 6.602 1.00 0.00 O ATOM 776 OE2 GLU A 51 6.576 13.813 5.833 1.00 0.00 O ATOM 0 H GLU A 51 6.163 11.865 4.277 1.00 0.00 H new ATOM 0 HA GLU A 51 7.571 12.567 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.544 11.570 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.564 12.205 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.293 14.246 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.655 14.226 3.612 1.00 0.00 H new ATOM 783 N GLU A 52 8.294 10.343 0.932 1.00 0.00 N ATOM 784 CA GLU A 52 8.591 9.071 0.277 1.00 0.00 C ATOM 785 C GLU A 52 9.417 8.165 1.189 1.00 0.00 C ATOM 786 O GLU A 52 9.055 7.014 1.411 1.00 0.00 O ATOM 787 CB GLU A 52 9.316 9.309 -1.062 1.00 0.00 C ATOM 788 CG GLU A 52 8.629 8.549 -2.205 1.00 0.00 C ATOM 789 CD GLU A 52 9.328 8.742 -3.550 1.00 0.00 C ATOM 790 OE1 GLU A 52 10.045 9.757 -3.693 1.00 0.00 O ATOM 791 OE2 GLU A 52 9.123 7.869 -4.421 1.00 0.00 O ATOM 0 H GLU A 52 8.494 11.152 0.344 1.00 0.00 H new ATOM 0 HA GLU A 52 7.647 8.566 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.330 10.375 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.354 8.987 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.602 7.486 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.595 8.883 -2.287 1.00 0.00 H new ATOM 798 N GLY A 53 10.508 8.711 1.740 1.00 0.00 N ATOM 799 CA GLY A 53 11.390 8.047 2.673 1.00 0.00 C ATOM 800 C GLY A 53 10.632 7.417 3.841 1.00 0.00 C ATOM 801 O GLY A 53 10.816 6.232 4.107 1.00 0.00 O ATOM 0 H GLY A 53 10.801 9.666 1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.953 7.275 2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.115 8.765 3.058 1.00 0.00 H new ATOM 805 N GLN A 54 9.780 8.202 4.521 1.00 0.00 N ATOM 806 CA GLN A 54 8.969 7.747 5.646 1.00 0.00 C ATOM 807 C GLN A 54 8.008 6.649 5.205 1.00 0.00 C ATOM 808 O GLN A 54 7.899 5.624 5.866 1.00 0.00 O ATOM 809 CB GLN A 54 8.178 8.898 6.290 1.00 0.00 C ATOM 810 CG GLN A 54 8.902 9.463 7.524 1.00 0.00 C ATOM 811 CD GLN A 54 7.997 10.320 8.410 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.270 11.496 8.630 1.00 0.00 O ATOM 813 NE2 GLN A 54 6.937 9.723 8.963 1.00 0.00 N ATOM 0 H GLN A 54 9.638 9.186 4.295 1.00 0.00 H new ATOM 0 HA GLN A 54 9.656 7.351 6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.031 9.693 5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.189 8.543 6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.301 8.637 8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.752 10.061 7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.739 8.744 8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.326 10.247 9.590 1.00 0.00 H new ATOM 822 N VAL A 55 7.319 6.853 4.083 1.00 0.00 N ATOM 823 CA VAL A 55 6.426 5.850 3.526 1.00 0.00 C ATOM 824 C VAL A 55 7.173 4.536 3.269 1.00 0.00 C ATOM 825 O VAL A 55 6.658 3.465 3.586 1.00 0.00 O ATOM 826 CB VAL A 55 5.752 6.397 2.261 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.852 5.337 1.636 1.00 0.00 C ATOM 828 CG2 VAL A 55 4.874 7.610 2.571 1.00 0.00 C ATOM 0 H VAL A 55 7.367 7.715 3.540 1.00 0.00 H new ATOM 0 HA VAL A 55 5.641 5.625 4.248 1.00 0.00 H new ATOM 0 HB VAL A 55 6.553 6.683 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.382 5.741 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.448 4.464 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.082 5.047 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.413 7.970 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.096 7.325 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.486 8.401 3.004 1.00 0.00 H new ATOM 838 N GLU A 56 8.400 4.604 2.741 1.00 0.00 N ATOM 839 CA GLU A 56 9.200 3.426 2.432 1.00 0.00 C ATOM 840 C GLU A 56 9.501 2.572 3.671 1.00 0.00 C ATOM 841 O GLU A 56 9.673 1.359 3.553 1.00 0.00 O ATOM 842 CB GLU A 56 10.468 3.823 1.663 1.00 0.00 C ATOM 843 CG GLU A 56 10.740 2.841 0.516 1.00 0.00 C ATOM 844 CD GLU A 56 11.878 3.299 -0.393 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.701 4.119 0.071 1.00 0.00 O ATOM 846 OE2 GLU A 56 11.900 2.808 -1.544 1.00 0.00 O ATOM 0 H GLU A 56 8.863 5.485 2.517 1.00 0.00 H new ATOM 0 HA GLU A 56 8.606 2.785 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.357 4.832 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.320 3.841 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.983 1.863 0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.833 2.720 -0.076 1.00 0.00 H new ATOM 853 N LYS A 57 9.521 3.193 4.858 1.00 0.00 N ATOM 854 CA LYS A 57 9.755 2.518 6.128 1.00 0.00 C ATOM 855 C LYS A 57 8.700 1.451 6.424 1.00 0.00 C ATOM 856 O LYS A 57 9.001 0.501 7.142 1.00 0.00 O ATOM 857 CB LYS A 57 9.730 3.518 7.282 1.00 0.00 C ATOM 858 CG LYS A 57 10.628 4.744 7.106 1.00 0.00 C ATOM 859 CD LYS A 57 12.105 4.396 6.947 1.00 0.00 C ATOM 860 CE LYS A 57 12.955 5.659 7.136 1.00 0.00 C ATOM 861 NZ LYS A 57 14.345 5.311 7.468 1.00 0.00 N ATOM 0 H LYS A 57 9.372 4.197 4.957 1.00 0.00 H new ATOM 0 HA LYS A 57 10.733 2.044 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.704 3.857 7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.024 3.001 8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.298 5.304 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.508 5.400 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.392 3.640 7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.284 3.969 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.933 6.257 6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.530 6.273 7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.901 6.181 7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.364 4.760 8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.755 4.745 6.698 1.00 0.00 H new ATOM 875 N LEU A 58 7.470 1.620 5.916 1.00 0.00 N ATOM 876 CA LEU A 58 6.418 0.621 6.037 1.00 0.00 C ATOM 877 C LEU A 58 6.335 -0.241 4.780 1.00 0.00 C ATOM 878 O LEU A 58 5.960 -1.411 4.865 1.00 0.00 O ATOM 879 CB LEU A 58 5.079 1.275 6.395 1.00 0.00 C ATOM 880 CG LEU A 58 4.221 1.793 5.230 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.169 0.754 4.823 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.493 3.069 5.650 1.00 0.00 C ATOM 0 H LEU A 58 7.184 2.458 5.410 1.00 0.00 H new ATOM 0 HA LEU A 58 6.669 -0.049 6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.488 0.551 6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.279 2.110 7.066 1.00 0.00 H new ATOM 0 HG LEU A 58 4.884 1.990 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.574 1.143 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.666 -0.164 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.518 0.544 5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.886 3.432 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.850 2.857 6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.223 3.830 5.926 1.00 0.00 H new ATOM 894 N MET A 59 6.694 0.327 3.619 1.00 0.00 N ATOM 895 CA MET A 59 6.666 -0.392 2.357 1.00 0.00 C ATOM 896 C MET A 59 7.652 -1.553 2.340 1.00 0.00 C ATOM 897 O MET A 59 7.462 -2.476 1.556 1.00 0.00 O ATOM 898 CB MET A 59 6.895 0.524 1.155 1.00 0.00 C ATOM 899 CG MET A 59 5.906 1.694 1.084 1.00 0.00 C ATOM 900 SD MET A 59 4.654 1.547 -0.219 1.00 0.00 S ATOM 901 CE MET A 59 3.193 2.135 0.676 1.00 0.00 C ATOM 0 H MET A 59 7.009 1.294 3.539 1.00 0.00 H new ATOM 0 HA MET A 59 5.660 -0.801 2.269 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.910 0.918 1.196 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.818 -0.063 0.240 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.401 1.785 2.046 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.466 2.617 0.929 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.531 1.295 0.883 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.502 2.594 1.615 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.666 2.871 0.069 1.00 0.00 H new ATOM 911 N GLN A 60 8.678 -1.529 3.200 1.00 0.00 N ATOM 912 CA GLN A 60 9.600 -2.638 3.357 1.00 0.00 C ATOM 913 C GLN A 60 8.827 -3.954 3.478 1.00 0.00 C ATOM 914 O GLN A 60 8.981 -4.845 2.654 1.00 0.00 O ATOM 915 CB GLN A 60 10.569 -2.354 4.518 1.00 0.00 C ATOM 916 CG GLN A 60 9.937 -2.046 5.887 1.00 0.00 C ATOM 917 CD GLN A 60 9.795 -3.248 6.820 1.00 0.00 C ATOM 918 OE1 GLN A 60 10.583 -4.189 6.768 1.00 0.00 O ATOM 919 NE2 GLN A 60 8.778 -3.219 7.684 1.00 0.00 N ATOM 0 H GLN A 60 8.884 -0.733 3.804 1.00 0.00 H new ATOM 0 HA GLN A 60 10.224 -2.747 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.225 -3.217 4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.199 -1.510 4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.540 -1.288 6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.950 -1.613 5.725 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.144 -2.420 7.698 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.635 -3.995 8.330 1.00 0.00 H new ATOM 928 N TRP A 61 7.956 -4.052 4.491 1.00 0.00 N ATOM 929 CA TRP A 61 7.166 -5.240 4.729 1.00 0.00 C ATOM 930 C TRP A 61 6.207 -5.527 3.557 1.00 0.00 C ATOM 931 O TRP A 61 5.933 -6.692 3.286 1.00 0.00 O ATOM 932 CB TRP A 61 6.429 -5.107 6.059 1.00 0.00 C ATOM 933 CG TRP A 61 5.192 -5.929 6.163 1.00 0.00 C ATOM 934 CD1 TRP A 61 5.092 -7.250 6.433 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.850 -5.472 5.886 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.768 -7.640 6.343 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.959 -6.574 5.994 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.315 -4.221 5.531 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.582 -6.434 5.787 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.931 -4.062 5.341 1.00 0.00 C ATOM 941 CH2 TRP A 61 1.067 -5.159 5.496 1.00 0.00 C ATOM 0 H TRP A 61 7.788 -3.302 5.162 1.00 0.00 H new ATOM 0 HA TRP A 61 7.832 -6.101 4.793 1.00 0.00 H new ATOM 0 HB2 TRP A 61 7.106 -5.389 6.865 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.168 -4.060 6.213 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.918 -7.900 6.681 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.433 -8.588 6.512 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.973 -3.374 5.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.927 -7.290 5.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.531 -3.095 5.075 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.001 -5.022 5.391 1.00 0.00 H new ATOM 952 N LEU A 62 5.679 -4.497 2.874 1.00 0.00 N ATOM 953 CA LEU A 62 4.790 -4.679 1.725 1.00 0.00 C ATOM 954 C LEU A 62 5.533 -5.406 0.595 1.00 0.00 C ATOM 955 O LEU A 62 5.037 -6.402 0.077 1.00 0.00 O ATOM 956 CB LEU A 62 4.211 -3.339 1.223 1.00 0.00 C ATOM 957 CG LEU A 62 3.017 -2.812 2.044 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.815 -1.303 1.864 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.704 -3.482 1.627 1.00 0.00 C ATOM 0 H LEU A 62 5.859 -3.520 3.106 1.00 0.00 H new ATOM 0 HA LEU A 62 3.948 -5.289 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.002 -2.589 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.898 -3.458 0.186 1.00 0.00 H new ATOM 0 HG LEU A 62 3.258 -3.043 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.963 -0.976 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.711 -0.775 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.627 -1.084 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.886 -3.085 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.511 -3.281 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.779 -4.558 1.783 1.00 0.00 H new ATOM 971 N LYS A 63 6.728 -4.935 0.220 1.00 0.00 N ATOM 972 CA LYS A 63 7.538 -5.555 -0.826 1.00 0.00 C ATOM 973 C LYS A 63 8.112 -6.919 -0.413 1.00 0.00 C ATOM 974 O LYS A 63 8.585 -7.651 -1.280 1.00 0.00 O ATOM 975 CB LYS A 63 8.647 -4.589 -1.284 1.00 0.00 C ATOM 976 CG LYS A 63 8.132 -3.585 -2.332 1.00 0.00 C ATOM 977 CD LYS A 63 8.155 -2.118 -1.883 1.00 0.00 C ATOM 978 CE LYS A 63 9.564 -1.506 -1.907 1.00 0.00 C ATOM 979 NZ LYS A 63 9.512 -0.047 -2.130 1.00 0.00 N ATOM 0 H LYS A 63 7.159 -4.110 0.637 1.00 0.00 H new ATOM 0 HA LYS A 63 6.877 -5.756 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.036 -4.047 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.476 -5.159 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.734 -3.683 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.110 -3.853 -2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.500 -1.535 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.751 -2.046 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.069 -1.714 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.153 -1.976 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.478 0.337 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.051 0.149 -3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.970 0.402 -1.365 1.00 0.00 H new ATOM 993 N SER A 64 8.052 -7.275 0.876 1.00 0.00 N ATOM 994 CA SER A 64 8.534 -8.548 1.401 1.00 0.00 C ATOM 995 C SER A 64 7.422 -9.300 2.140 1.00 0.00 C ATOM 996 O SER A 64 7.708 -10.174 2.956 1.00 0.00 O ATOM 997 CB SER A 64 9.732 -8.277 2.316 1.00 0.00 C ATOM 998 OG SER A 64 10.773 -7.675 1.576 1.00 0.00 O ATOM 0 H SER A 64 7.657 -6.669 1.595 1.00 0.00 H new ATOM 0 HA SER A 64 8.848 -9.188 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.434 -7.626 3.137 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.081 -9.210 2.759 1.00 0.00 H new ATOM 0 HG SER A 64 11.536 -7.502 2.166 1.00 0.00 H new ATOM 1004 N GLY A 65 6.157 -8.971 1.853 1.00 0.00 N ATOM 1005 CA GLY A 65 5.003 -9.547 2.514 1.00 0.00 C ATOM 1006 C GLY A 65 4.537 -10.801 1.788 1.00 0.00 C ATOM 1007 O GLY A 65 3.981 -11.688 2.430 1.00 0.00 O ATOM 0 H GLY A 65 5.913 -8.283 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.253 -9.790 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.194 -8.817 2.546 1.00 0.00 H new ATOM 1011 N GLY A 66 4.768 -10.854 0.465 1.00 0.00 N ATOM 1012 CA GLY A 66 4.413 -11.939 -0.442 1.00 0.00 C ATOM 1013 C GLY A 66 4.636 -13.321 0.171 1.00 0.00 C ATOM 1014 O GLY A 66 5.780 -13.771 0.203 1.00 0.00 O ATOM 0 H GLY A 66 5.237 -10.090 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.366 -11.839 -0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.003 -11.852 -1.354 1.00 0.00 H new ATOM 1018 N PRO A 67 3.585 -14.006 0.658 1.00 0.00 N ATOM 1019 CA PRO A 67 3.728 -15.326 1.259 1.00 0.00 C ATOM 1020 C PRO A 67 3.996 -16.389 0.190 1.00 0.00 C ATOM 1021 O PRO A 67 4.116 -16.083 -0.996 1.00 0.00 O ATOM 1022 CB PRO A 67 2.410 -15.579 1.989 1.00 0.00 C ATOM 1023 CG PRO A 67 1.408 -14.814 1.137 1.00 0.00 C ATOM 1024 CD PRO A 67 2.194 -13.572 0.722 1.00 0.00 C ATOM 0 HA PRO A 67 4.576 -15.376 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.172 -16.641 2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.437 -15.209 3.014 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.085 -15.395 0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.512 -14.556 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.854 -13.194 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.066 -12.765 1.443 1.00 0.00 H new ATOM 1032 N ARG A 68 4.078 -17.653 0.621 1.00 0.00 N ATOM 1033 CA ARG A 68 4.329 -18.779 -0.267 1.00 0.00 C ATOM 1034 C ARG A 68 3.138 -19.035 -1.198 1.00 0.00 C ATOM 1035 O ARG A 68 3.328 -19.462 -2.335 1.00 0.00 O ATOM 1036 CB ARG A 68 4.717 -20.025 0.548 1.00 0.00 C ATOM 1037 CG ARG A 68 3.542 -20.672 1.300 1.00 0.00 C ATOM 1038 CD ARG A 68 3.976 -21.946 2.040 1.00 0.00 C ATOM 1039 NE ARG A 68 3.542 -23.155 1.322 1.00 0.00 N ATOM 1040 CZ ARG A 68 3.566 -24.406 1.812 1.00 0.00 C ATOM 1041 NH1 ARG A 68 4.081 -24.663 3.024 1.00 0.00 N ATOM 1042 NH2 ARG A 68 3.065 -25.409 1.080 1.00 0.00 N ATOM 0 H ARG A 68 3.971 -17.918 1.600 1.00 0.00 H new ATOM 0 HA ARG A 68 5.173 -18.533 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.156 -20.763 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.488 -19.750 1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.129 -19.959 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.747 -20.913 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.061 -21.955 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.555 -21.947 3.045 1.00 0.00 H new ATOM 0 HE ARG A 68 3.193 -23.033 0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.462 -23.903 3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.092 -25.618 3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.670 -25.220 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.079 -26.362 1.443 1.00 0.00 H new ATOM 1056 N SER A 69 1.913 -18.798 -0.705 1.00 0.00 N ATOM 1057 CA SER A 69 0.678 -19.098 -1.420 1.00 0.00 C ATOM 1058 C SER A 69 0.451 -18.092 -2.546 1.00 0.00 C ATOM 1059 O SER A 69 0.306 -18.472 -3.706 1.00 0.00 O ATOM 1060 CB SER A 69 -0.506 -19.140 -0.441 1.00 0.00 C ATOM 1061 OG SER A 69 -1.237 -20.336 -0.600 1.00 0.00 O ATOM 0 H SER A 69 1.758 -18.387 0.215 1.00 0.00 H new ATOM 0 HA SER A 69 0.763 -20.083 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.141 -19.063 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.158 -18.283 -0.612 1.00 0.00 H new ATOM 0 HG SER A 69 -1.986 -20.348 0.032 1.00 0.00 H new ATOM 1067 N ALA A 70 0.425 -16.807 -2.179 1.00 0.00 N ATOM 1068 CA ALA A 70 0.275 -15.686 -3.095 1.00 0.00 C ATOM 1069 C ALA A 70 1.360 -15.715 -4.166 1.00 0.00 C ATOM 1070 O ALA A 70 2.450 -16.236 -3.933 1.00 0.00 O ATOM 1071 CB ALA A 70 0.402 -14.378 -2.318 1.00 0.00 C ATOM 0 H ALA A 70 0.511 -16.516 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.703 -15.760 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.290 -13.536 -3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.375 -14.331 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.382 -14.331 -1.842 1.00 0.00 H new ATOM 1077 N ARG A 71 1.057 -15.130 -5.327 1.00 0.00 N ATOM 1078 CA ARG A 71 1.964 -15.101 -6.460 1.00 0.00 C ATOM 1079 C ARG A 71 2.236 -13.646 -6.829 1.00 0.00 C ATOM 1080 O ARG A 71 1.637 -13.135 -7.768 1.00 0.00 O ATOM 1081 CB ARG A 71 1.353 -15.919 -7.612 1.00 0.00 C ATOM 1082 CG ARG A 71 2.431 -16.358 -8.617 1.00 0.00 C ATOM 1083 CD ARG A 71 2.543 -17.887 -8.699 1.00 0.00 C ATOM 1084 NE ARG A 71 1.544 -18.439 -9.625 1.00 0.00 N ATOM 1085 CZ ARG A 71 1.317 -19.745 -9.846 1.00 0.00 C ATOM 1086 NH1 ARG A 71 1.943 -20.689 -9.127 1.00 0.00 N ATOM 1087 NH2 ARG A 71 0.454 -20.105 -10.805 1.00 0.00 N ATOM 0 H ARG A 71 0.168 -14.662 -5.501 1.00 0.00 H new ATOM 0 HA ARG A 71 2.924 -15.559 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.848 -16.797 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.597 -15.323 -8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.194 -15.957 -9.603 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.393 -15.938 -8.325 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.544 -18.165 -9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.404 -18.319 -7.708 1.00 0.00 H new ATOM 0 HE ARG A 71 0.973 -17.773 -10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.604 -20.420 -8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.758 -21.675 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.022 -19.391 -11.357 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.273 -21.093 -10.983 1.00 0.00 H new ATOM 1101 N VAL A 72 3.131 -12.980 -6.085 1.00 0.00 N ATOM 1102 CA VAL A 72 3.539 -11.601 -6.342 1.00 0.00 C ATOM 1103 C VAL A 72 4.337 -11.561 -7.652 1.00 0.00 C ATOM 1104 O VAL A 72 5.556 -11.726 -7.640 1.00 0.00 O ATOM 1105 CB VAL A 72 4.356 -11.054 -5.150 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.811 -9.603 -5.380 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.546 -11.072 -3.848 1.00 0.00 C ATOM 0 H VAL A 72 3.596 -13.395 -5.277 1.00 0.00 H new ATOM 0 HA VAL A 72 2.664 -10.960 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 72 5.222 -11.711 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.382 -9.260 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.437 -9.555 -6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.938 -8.965 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.156 -10.680 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.656 -10.454 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.249 -12.095 -3.618 1.00 0.00 H new ATOM 1117 N GLU A 73 3.644 -11.351 -8.781 1.00 0.00 N ATOM 1118 CA GLU A 73 4.259 -11.263 -10.102 1.00 0.00 C ATOM 1119 C GLU A 73 5.239 -10.087 -10.147 1.00 0.00 C ATOM 1120 O GLU A 73 6.422 -10.266 -10.427 1.00 0.00 O ATOM 1121 CB GLU A 73 3.177 -11.137 -11.196 1.00 0.00 C ATOM 1122 CG GLU A 73 3.424 -12.021 -12.425 1.00 0.00 C ATOM 1123 CD GLU A 73 4.831 -11.875 -12.998 1.00 0.00 C ATOM 1124 OE1 GLU A 73 5.203 -10.725 -13.318 1.00 0.00 O ATOM 1125 OE2 GLU A 73 5.506 -12.922 -13.110 1.00 0.00 O ATOM 0 H GLU A 73 2.630 -11.237 -8.796 1.00 0.00 H new ATOM 0 HA GLU A 73 4.818 -12.178 -10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.209 -11.393 -10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.118 -10.097 -11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.255 -13.063 -12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.697 -11.770 -13.197 1.00 0.00 H new ATOM 1132 N ARG A 74 4.734 -8.882 -9.857 1.00 0.00 N ATOM 1133 CA ARG A 74 5.498 -7.645 -9.886 1.00 0.00 C ATOM 1134 C ARG A 74 4.723 -6.539 -9.170 1.00 0.00 C ATOM 1135 O ARG A 74 3.570 -6.738 -8.793 1.00 0.00 O ATOM 1136 CB ARG A 74 5.780 -7.233 -11.345 1.00 0.00 C ATOM 1137 CG ARG A 74 7.275 -7.267 -11.702 1.00 0.00 C ATOM 1138 CD ARG A 74 7.683 -6.034 -12.519 1.00 0.00 C ATOM 1139 NE ARG A 74 6.769 -5.764 -13.639 1.00 0.00 N ATOM 1140 CZ ARG A 74 6.647 -6.506 -14.750 1.00 0.00 C ATOM 1141 NH1 ARG A 74 7.435 -7.569 -14.959 1.00 0.00 N ATOM 1142 NH2 ARG A 74 5.721 -6.174 -15.661 1.00 0.00 N ATOM 0 H ARG A 74 3.759 -8.745 -9.590 1.00 0.00 H new ATOM 0 HA ARG A 74 6.448 -7.802 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.237 -7.899 -12.016 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.395 -6.227 -11.513 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.868 -7.313 -10.789 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.495 -8.171 -12.270 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.714 -5.164 -11.864 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.692 -6.178 -12.906 1.00 0.00 H new ATOM 0 HE ARG A 74 6.174 -4.939 -13.564 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.141 -7.825 -14.268 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.329 -8.123 -15.809 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.119 -5.365 -15.505 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.618 -6.730 -16.510 1.00 0.00 H new ATOM 1156 N VAL A 75 5.361 -5.374 -8.984 1.00 0.00 N ATOM 1157 CA VAL A 75 4.763 -4.214 -8.329 1.00 0.00 C ATOM 1158 C VAL A 75 5.233 -2.927 -9.026 1.00 0.00 C ATOM 1159 O VAL A 75 6.439 -2.716 -9.139 1.00 0.00 O ATOM 1160 CB VAL A 75 5.146 -4.216 -6.835 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.375 -3.121 -6.082 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.826 -5.562 -6.166 1.00 0.00 C ATOM 0 H VAL A 75 6.321 -5.215 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 75 3.677 -4.261 -8.404 1.00 0.00 H new ATOM 0 HB VAL A 75 6.220 -4.035 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.657 -3.136 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.616 -2.147 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.304 -3.302 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.111 -5.522 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.758 -5.763 -6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.383 -6.357 -6.663 1.00 0.00 H new ATOM 1172 N LEU A 76 4.305 -2.070 -9.483 1.00 0.00 N ATOM 1173 CA LEU A 76 4.602 -0.777 -10.114 1.00 0.00 C ATOM 1174 C LEU A 76 4.287 0.376 -9.162 1.00 0.00 C ATOM 1175 O LEU A 76 3.459 0.205 -8.274 1.00 0.00 O ATOM 1176 CB LEU A 76 3.761 -0.600 -11.391 1.00 0.00 C ATOM 1177 CG LEU A 76 4.619 -0.468 -12.659 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.422 -1.735 -12.994 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.703 -0.117 -13.835 1.00 0.00 C ATOM 0 H LEU A 76 3.305 -2.263 -9.422 1.00 0.00 H new ATOM 0 HA LEU A 76 5.663 -0.765 -10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.090 -1.452 -11.499 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.135 0.287 -11.288 1.00 0.00 H new ATOM 0 HG LEU A 76 5.351 0.318 -12.473 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.003 -1.568 -13.901 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.095 -1.968 -12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.738 -2.569 -13.150 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.298 -0.020 -14.743 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.963 -0.907 -13.968 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.195 0.826 -13.632 1.00 0.00 H new ATOM 1191 N SER A 77 4.938 1.534 -9.364 1.00 0.00 N ATOM 1192 CA SER A 77 4.786 2.724 -8.523 1.00 0.00 C ATOM 1193 C SER A 77 4.717 3.999 -9.376 1.00 0.00 C ATOM 1194 O SER A 77 5.607 4.212 -10.196 1.00 0.00 O ATOM 1195 CB SER A 77 5.969 2.829 -7.545 1.00 0.00 C ATOM 1196 OG SER A 77 6.830 1.706 -7.601 1.00 0.00 O ATOM 0 H SER A 77 5.596 1.667 -10.132 1.00 0.00 H new ATOM 0 HA SER A 77 3.854 2.627 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.540 3.730 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.587 2.937 -6.530 1.00 0.00 H new ATOM 0 HG SER A 77 7.564 1.824 -6.963 1.00 0.00 H new ATOM 1202 N GLU A 78 3.710 4.858 -9.156 1.00 0.00 N ATOM 1203 CA GLU A 78 3.473 6.086 -9.929 1.00 0.00 C ATOM 1204 C GLU A 78 3.197 7.269 -8.986 1.00 0.00 C ATOM 1205 O GLU A 78 2.757 7.052 -7.858 1.00 0.00 O ATOM 1206 CB GLU A 78 2.286 5.866 -10.888 1.00 0.00 C ATOM 1207 CG GLU A 78 2.667 5.673 -12.367 1.00 0.00 C ATOM 1208 CD GLU A 78 3.724 4.599 -12.597 1.00 0.00 C ATOM 1209 OE1 GLU A 78 3.404 3.417 -12.343 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.833 4.981 -13.034 1.00 0.00 O ATOM 0 H GLU A 78 3.021 4.714 -8.417 1.00 0.00 H new ATOM 0 HA GLU A 78 4.363 6.322 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.728 4.991 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.614 6.721 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.771 5.415 -12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.033 6.620 -12.765 1.00 0.00 H new ATOM 1217 N PRO A 79 3.427 8.518 -9.435 1.00 0.00 N ATOM 1218 CA PRO A 79 3.228 9.736 -8.654 1.00 0.00 C ATOM 1219 C PRO A 79 1.737 10.000 -8.416 1.00 0.00 C ATOM 1220 O PRO A 79 0.969 10.076 -9.373 1.00 0.00 O ATOM 1221 CB PRO A 79 3.879 10.851 -9.481 1.00 0.00 C ATOM 1222 CG PRO A 79 3.729 10.359 -10.918 1.00 0.00 C ATOM 1223 CD PRO A 79 3.901 8.850 -10.769 1.00 0.00 C ATOM 0 HA PRO A 79 3.673 9.665 -7.661 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.379 11.808 -9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.926 10.992 -9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.756 10.617 -11.336 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.483 10.791 -11.576 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.330 8.316 -11.529 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.945 8.563 -10.894 1.00 0.00 H new ATOM 1231 N HIS A 80 1.328 10.138 -7.145 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.060 10.365 -6.752 1.00 0.00 C ATOM 1233 C HIS A 80 -0.219 11.728 -6.070 1.00 0.00 C ATOM 1234 O HIS A 80 0.390 11.979 -5.038 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.499 9.227 -5.822 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.981 8.988 -5.788 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.866 9.142 -4.753 1.00 0.00 N flip ATOM 1238 CD2 HIS A 80 -2.671 8.472 -6.871 1.00 0.00 C flip ATOM 1239 CE1 HIS A 80 -4.105 8.720 -5.195 1.00 0.00 C flip ATOM 1240 NE2 HIS A 80 -3.942 8.321 -6.467 1.00 0.00 N flip ATOM 0 H HIS A 80 1.968 10.093 -6.352 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.695 10.374 -7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.002 8.308 -6.134 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.156 9.448 -4.811 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.268 8.238 -7.845 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.025 8.712 -4.629 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.690 7.950 -7.053 1.00 0.00 H new ATOM 1249 N HIS A 81 -1.032 12.624 -6.637 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.207 13.967 -6.091 1.00 0.00 C ATOM 1251 C HIS A 81 -2.690 14.259 -5.825 1.00 0.00 C ATOM 1252 O HIS A 81 -3.283 15.078 -6.524 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.571 14.951 -7.081 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.200 16.280 -6.477 1.00 0.00 C ATOM 1255 ND1 HIS A 81 -0.982 16.954 -5.550 1.00 0.00 N ATOM 1256 CD2 HIS A 81 0.932 17.020 -6.693 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -0.318 18.082 -5.250 1.00 0.00 C ATOM 1258 NE2 HIS A 81 0.832 18.167 -5.938 1.00 0.00 N ATOM 0 H HIS A 81 -1.580 12.439 -7.477 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.714 14.067 -5.124 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.323 14.495 -7.506 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.265 15.120 -7.905 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.755 16.752 -7.339 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.664 18.825 -4.546 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.503 18.935 -5.907 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.307 13.606 -4.826 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.731 13.729 -4.552 1.00 0.00 C ATOM 1269 C PRO A 82 -5.052 15.120 -3.996 1.00 0.00 C ATOM 1270 O PRO A 82 -4.276 15.672 -3.217 1.00 0.00 O ATOM 1271 CB PRO A 82 -5.046 12.616 -3.548 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.724 12.434 -2.802 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.684 12.683 -3.894 1.00 0.00 C ATOM 0 HA PRO A 82 -5.340 13.624 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.854 12.899 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.356 11.698 -4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.623 13.141 -1.978 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.633 11.434 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.771 13.106 -3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.407 11.753 -4.390 1.00 0.00 H new ATOM 1281 N SER A 83 -6.190 15.687 -4.415 1.00 0.00 N ATOM 1282 CA SER A 83 -6.649 16.995 -3.971 1.00 0.00 C ATOM 1283 C SER A 83 -7.080 16.944 -2.504 1.00 0.00 C ATOM 1284 O SER A 83 -7.649 15.949 -2.056 1.00 0.00 O ATOM 1285 CB SER A 83 -7.814 17.465 -4.846 1.00 0.00 C ATOM 1286 OG SER A 83 -7.412 17.542 -6.198 1.00 0.00 O ATOM 0 H SER A 83 -6.821 15.239 -5.080 1.00 0.00 H new ATOM 0 HA SER A 83 -5.825 17.703 -4.064 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.653 16.776 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.162 18.441 -4.507 1.00 0.00 H new ATOM 0 HG SER A 83 -8.166 17.842 -6.747 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.803 18.026 -1.765 1.00 0.00 N ATOM 1293 CA GLY A 84 -7.068 18.130 -0.338 1.00 0.00 C ATOM 1294 C GLY A 84 -6.180 17.193 0.480 1.00 0.00 C ATOM 1295 O GLY A 84 -5.494 16.326 -0.061 1.00 0.00 O ATOM 0 H GLY A 84 -6.380 18.867 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.906 19.158 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.115 17.896 -0.146 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.203 17.383 1.802 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.459 16.556 2.742 1.00 0.00 C ATOM 1301 C GLU A 85 -6.356 15.413 3.221 1.00 0.00 C ATOM 1302 O GLU A 85 -7.529 15.629 3.525 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.903 17.415 3.887 1.00 0.00 C ATOM 1304 CG GLU A 85 -5.953 17.830 4.926 1.00 0.00 C ATOM 1305 CD GLU A 85 -5.399 18.890 5.873 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -5.262 20.044 5.411 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -5.116 18.530 7.036 1.00 0.00 O ATOM 0 H GLU A 85 -6.745 18.123 2.249 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.593 16.108 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.109 16.862 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.449 18.312 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.837 18.217 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.269 16.957 5.497 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.813 14.191 3.260 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.548 13.019 3.712 1.00 0.00 C ATOM 1316 C LEU A 86 -6.591 13.006 5.242 1.00 0.00 C ATOM 1317 O LEU A 86 -5.682 13.520 5.892 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.883 11.762 3.132 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.650 10.446 3.361 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -8.094 10.488 2.846 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.939 9.327 2.595 1.00 0.00 C ATOM 0 H LEU A 86 -4.853 13.994 2.978 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.579 13.044 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.750 11.904 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.888 11.664 3.567 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.673 10.281 4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.577 9.530 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.640 11.280 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.092 10.684 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.470 8.387 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.923 9.567 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.917 9.229 2.960 1.00 0.00 H new ATOM 1333 N THR A 87 -7.653 12.427 5.815 1.00 0.00 N ATOM 1334 CA THR A 87 -7.846 12.321 7.251 1.00 0.00 C ATOM 1335 C THR A 87 -6.889 11.254 7.781 1.00 0.00 C ATOM 1336 O THR A 87 -5.853 11.590 8.352 1.00 0.00 O ATOM 1337 CB THR A 87 -9.330 12.019 7.572 1.00 0.00 C ATOM 1338 OG1 THR A 87 -10.040 11.643 6.403 1.00 0.00 O ATOM 1339 CG2 THR A 87 -10.014 13.233 8.206 1.00 0.00 C ATOM 0 H THR A 87 -8.413 12.013 5.275 1.00 0.00 H new ATOM 0 HA THR A 87 -7.617 13.263 7.750 1.00 0.00 H new ATOM 0 HB THR A 87 -9.343 11.190 8.280 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.974 11.456 6.633 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.055 12.993 8.421 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.503 13.496 9.132 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.971 14.076 7.516 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.237 9.977 7.577 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.512 8.835 8.123 1.00 0.00 C ATOM 1349 C ASP A 88 -6.460 7.706 7.092 1.00 0.00 C ATOM 1350 O ASP A 88 -7.229 7.699 6.130 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.192 8.350 9.413 1.00 0.00 C ATOM 1352 CG ASP A 88 -7.360 9.465 10.444 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -6.322 9.902 10.987 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.525 9.863 10.666 1.00 0.00 O ATOM 0 H ASP A 88 -8.046 9.709 7.017 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.492 9.140 8.358 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.170 7.935 9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.603 7.543 9.849 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.560 6.741 7.309 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.448 5.554 6.473 1.00 0.00 C ATOM 1361 C PHE A 89 -6.642 4.617 6.696 1.00 0.00 C ATOM 1362 O PHE A 89 -7.159 4.529 7.809 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.105 4.861 6.733 1.00 0.00 C ATOM 1364 CG PHE A 89 -3.937 3.509 6.065 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -3.400 3.406 4.766 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -4.348 2.349 6.745 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -3.290 2.147 4.148 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -4.260 1.099 6.114 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.740 0.996 4.817 1.00 0.00 C ATOM 0 H PHE A 89 -4.888 6.767 8.076 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.472 5.846 5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.304 5.518 6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.981 4.735 7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.073 4.294 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.731 2.420 7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.860 2.065 3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.595 0.212 6.631 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.685 0.033 4.332 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.069 3.915 5.637 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.169 2.951 5.675 1.00 0.00 C ATOM 1381 C ARG A 90 -7.839 1.727 4.810 1.00 0.00 C ATOM 1382 O ARG A 90 -6.711 1.575 4.351 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.489 3.637 5.272 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.500 4.030 3.792 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.710 4.885 3.413 1.00 0.00 C ATOM 1386 NE ARG A 90 -10.624 5.278 1.997 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.205 6.354 1.440 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -11.990 7.168 2.161 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -10.995 6.615 0.143 1.00 0.00 N ATOM 0 H ARG A 90 -6.648 4.006 4.712 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.301 2.584 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.324 2.966 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.638 4.526 5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.587 4.578 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.494 3.127 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.630 4.327 3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.750 5.773 4.044 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.073 4.679 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.154 6.975 3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.423 7.980 1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.399 6.000 -0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.431 7.429 -0.291 1.00 0.00 H new ATOM 1403 N ILE A 91 -8.818 0.841 4.596 1.00 0.00 N ATOM 1404 CA ILE A 91 -8.677 -0.372 3.794 1.00 0.00 C ATOM 1405 C ILE A 91 -9.886 -0.519 2.868 1.00 0.00 C ATOM 1406 O ILE A 91 -10.736 0.369 2.816 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.471 -1.603 4.705 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -9.610 -1.841 5.720 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -7.150 -1.479 5.465 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -10.692 -2.758 5.157 1.00 0.00 C ATOM 0 H ILE A 91 -9.753 0.954 4.987 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.789 -0.298 3.166 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.463 -2.462 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.200 -2.280 6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.053 -0.885 5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.015 -2.352 6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.326 -1.418 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.167 -0.579 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.474 -2.899 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.121 -2.307 4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.255 -3.724 4.903 1.00 0.00 H new ATOM 1422 N ARG A 92 -9.942 -1.642 2.140 1.00 0.00 N ATOM 1423 CA ARG A 92 -11.036 -2.030 1.256 1.00 0.00 C ATOM 1424 C ARG A 92 -12.432 -1.882 1.875 1.00 0.00 C ATOM 1425 O ARG A 92 -13.075 -0.852 1.573 1.00 0.00 O ATOM 1426 CB ARG A 92 -10.807 -3.450 0.709 1.00 0.00 C ATOM 1427 CG ARG A 92 -10.358 -4.472 1.766 1.00 0.00 C ATOM 1428 CD ARG A 92 -10.501 -5.905 1.239 1.00 0.00 C ATOM 1429 NE ARG A 92 -11.575 -6.630 1.927 1.00 0.00 N ATOM 1430 CZ ARG A 92 -11.967 -7.880 1.629 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -11.355 -8.584 0.665 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -12.985 -8.423 2.308 1.00 0.00 N ATOM 1433 OXT ARG A 92 -12.857 -2.810 2.597 1.00 0.00 O ATOM 0 H ARG A 92 -9.190 -2.331 2.156 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.022 -1.321 0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.730 -3.803 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.055 -3.406 -0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.320 -4.284 2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.955 -4.352 2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.706 -5.881 0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.559 -6.437 1.371 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.059 -6.151 2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.580 -8.171 0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.665 -9.532 0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.452 -7.889 3.041 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.294 -9.371 2.093 1.00 0.00 H new TER 1447 ARG A 92