USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=16 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+ 171:sc=-0.00346 (180deg=-0.0517) 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 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.747 K(o=0.75,f=-0.32) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -105:sc= 0.399 USER MOD Single : A 24 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.3!) 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= -0.0334 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= -0.592 K(o=-0.59,f=-4!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 54 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -171:sc= 0 (180deg=-0.0287) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) 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 : no HD1:sc= -0.232 X(o=-0.23,f=-0.28) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.137 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.644 23.057 0.239 1.00 0.00 N ATOM 2 CA MET A 1 3.550 21.621 -0.075 1.00 0.00 C ATOM 3 C MET A 1 4.886 20.913 0.145 1.00 0.00 C ATOM 4 O MET A 1 5.925 21.419 -0.275 1.00 0.00 O ATOM 5 CB MET A 1 2.985 21.379 -1.483 1.00 0.00 C ATOM 6 CG MET A 1 3.843 21.921 -2.638 1.00 0.00 C ATOM 7 SD MET A 1 4.638 20.645 -3.655 1.00 0.00 S ATOM 8 CE MET A 1 5.100 21.647 -5.094 1.00 0.00 C ATOM 0 H1 MET A 1 2.772 23.536 -0.063 1.00 0.00 H new ATOM 0 H2 MET A 1 3.770 23.181 1.264 1.00 0.00 H new ATOM 0 H3 MET A 1 4.457 23.469 -0.262 1.00 0.00 H new ATOM 0 HA MET A 1 2.838 21.179 0.623 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.852 20.306 -1.624 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.996 21.833 -1.543 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.215 22.539 -3.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.615 22.571 -2.225 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.605 21.019 -5.828 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.204 22.078 -5.540 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.770 22.448 -4.780 1.00 0.00 H new ATOM 20 N SER A 2 4.850 19.762 0.829 1.00 0.00 N ATOM 21 CA SER A 2 6.027 18.989 1.210 1.00 0.00 C ATOM 22 C SER A 2 5.786 17.491 0.982 1.00 0.00 C ATOM 23 O SER A 2 6.683 16.787 0.525 1.00 0.00 O ATOM 24 CB SER A 2 6.375 19.292 2.674 1.00 0.00 C ATOM 25 OG SER A 2 7.639 18.759 3.006 1.00 0.00 O ATOM 0 H SER A 2 3.976 19.336 1.138 1.00 0.00 H new ATOM 0 HA SER A 2 6.873 19.275 0.585 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.375 20.370 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.613 18.870 3.329 1.00 0.00 H new ATOM 0 HG SER A 2 7.844 18.963 3.942 1.00 0.00 H new ATOM 31 N LYS A 3 4.578 17.006 1.308 1.00 0.00 N ATOM 32 CA LYS A 3 4.209 15.599 1.215 1.00 0.00 C ATOM 33 C LYS A 3 4.207 15.076 -0.228 1.00 0.00 C ATOM 34 O LYS A 3 3.989 15.833 -1.174 1.00 0.00 O ATOM 35 CB LYS A 3 2.852 15.362 1.903 1.00 0.00 C ATOM 36 CG LYS A 3 1.616 15.526 1.003 1.00 0.00 C ATOM 37 CD LYS A 3 1.411 16.927 0.411 1.00 0.00 C ATOM 38 CE LYS A 3 1.000 17.959 1.471 1.00 0.00 C ATOM 39 NZ LYS A 3 0.098 18.986 0.917 1.00 0.00 N ATOM 0 H LYS A 3 3.821 17.598 1.649 1.00 0.00 H new ATOM 0 HA LYS A 3 4.975 15.026 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.846 14.354 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.764 16.053 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.688 14.811 0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.730 15.261 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.333 17.253 -0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.646 16.882 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.507 17.451 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.891 18.439 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.156 19.664 1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.577 19.488 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.764 18.531 0.554 1.00 0.00 H new ATOM 53 N VAL A 4 4.438 13.768 -0.374 1.00 0.00 N ATOM 54 CA VAL A 4 4.612 13.100 -1.654 1.00 0.00 C ATOM 55 C VAL A 4 3.870 11.769 -1.608 1.00 0.00 C ATOM 56 O VAL A 4 4.420 10.752 -1.190 1.00 0.00 O ATOM 57 CB VAL A 4 6.116 12.966 -1.989 1.00 0.00 C ATOM 58 CG1 VAL A 4 7.007 12.437 -0.861 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.329 12.121 -3.255 1.00 0.00 C ATOM 0 H VAL A 4 4.510 13.133 0.421 1.00 0.00 H new ATOM 0 HA VAL A 4 4.183 13.686 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 4 6.437 13.995 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.039 12.384 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.945 13.107 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.671 11.442 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.396 12.044 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.917 11.124 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.826 12.595 -4.098 1.00 0.00 H new ATOM 69 N CYS A 5 2.603 11.783 -2.020 1.00 0.00 N ATOM 70 CA CYS A 5 1.812 10.562 -2.089 1.00 0.00 C ATOM 71 C CYS A 5 2.168 9.757 -3.344 1.00 0.00 C ATOM 72 O CYS A 5 2.630 10.319 -4.335 1.00 0.00 O ATOM 73 CB CYS A 5 0.304 10.847 -1.995 1.00 0.00 C ATOM 74 SG CYS A 5 -0.257 12.116 -0.818 1.00 0.00 S ATOM 0 H CYS A 5 2.106 12.625 -2.310 1.00 0.00 H new ATOM 0 HA CYS A 5 2.063 9.953 -1.221 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.043 11.136 -2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.197 9.913 -1.742 1.00 0.00 H new ATOM 79 N ILE A 6 1.974 8.433 -3.290 1.00 0.00 N ATOM 80 CA ILE A 6 2.339 7.525 -4.376 1.00 0.00 C ATOM 81 C ILE A 6 1.299 6.414 -4.459 1.00 0.00 C ATOM 82 O ILE A 6 0.730 6.033 -3.437 1.00 0.00 O ATOM 83 CB ILE A 6 3.749 6.924 -4.201 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.062 6.388 -2.794 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.847 7.887 -4.685 1.00 0.00 C ATOM 86 CD1 ILE A 6 4.460 7.466 -1.780 1.00 0.00 C ATOM 0 H ILE A 6 1.557 7.963 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 6 2.360 8.099 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 6 3.745 6.044 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.187 5.858 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.869 5.659 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.824 7.425 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.698 8.106 -5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.797 8.813 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.663 7.001 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.354 7.982 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.646 8.183 -1.673 1.00 0.00 H new ATOM 98 N ILE A 7 1.068 5.898 -5.670 1.00 0.00 N ATOM 99 CA ILE A 7 0.144 4.798 -5.924 1.00 0.00 C ATOM 100 C ILE A 7 0.922 3.549 -6.343 1.00 0.00 C ATOM 101 O ILE A 7 1.728 3.605 -7.269 1.00 0.00 O ATOM 102 CB ILE A 7 -0.938 5.221 -6.933 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.940 4.074 -7.152 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.378 5.701 -8.280 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.351 4.611 -7.400 1.00 0.00 C ATOM 0 H ILE A 7 1.528 6.242 -6.513 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.388 4.540 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.444 6.080 -6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.624 3.469 -8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.945 3.421 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.201 5.981 -8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.268 6.564 -8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.197 4.899 -8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.036 3.777 -7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.675 5.195 -6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.349 5.244 -8.287 1.00 0.00 H new ATOM 117 N ALA A 8 0.690 2.439 -5.630 1.00 0.00 N ATOM 118 CA ALA A 8 1.374 1.165 -5.791 1.00 0.00 C ATOM 119 C ALA A 8 0.359 0.073 -6.146 1.00 0.00 C ATOM 120 O ALA A 8 -0.345 -0.427 -5.269 1.00 0.00 O ATOM 121 CB ALA A 8 2.126 0.832 -4.497 1.00 0.00 C ATOM 0 H ALA A 8 -0.014 2.412 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 8 2.097 1.226 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.641 -0.122 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.855 1.615 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.418 0.766 -3.671 1.00 0.00 H new ATOM 127 N TRP A 9 0.293 -0.297 -7.429 1.00 0.00 N ATOM 128 CA TRP A 9 -0.567 -1.355 -7.942 1.00 0.00 C ATOM 129 C TRP A 9 0.145 -2.699 -7.837 1.00 0.00 C ATOM 130 O TRP A 9 1.119 -2.924 -8.550 1.00 0.00 O ATOM 131 CB TRP A 9 -0.897 -1.079 -9.410 1.00 0.00 C ATOM 132 CG TRP A 9 -1.868 0.031 -9.635 1.00 0.00 C ATOM 133 CD1 TRP A 9 -3.192 -0.058 -9.400 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.646 1.373 -10.155 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.809 1.137 -9.698 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.899 2.056 -10.181 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.518 2.081 -10.622 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -3.025 3.376 -10.632 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.646 3.389 -11.120 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.891 4.042 -11.120 1.00 0.00 C ATOM 0 H TRP A 9 0.854 0.147 -8.156 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.485 -1.382 -7.355 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.028 -0.847 -9.938 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.298 -1.990 -9.855 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.696 -0.939 -9.031 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.805 1.319 -9.578 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.455 1.612 -10.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.983 3.875 -10.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.223 3.899 -11.508 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.974 5.052 -11.494 1.00 0.00 H new ATOM 151 N VAL A 10 -0.357 -3.589 -6.975 1.00 0.00 N ATOM 152 CA VAL A 10 0.225 -4.899 -6.715 1.00 0.00 C ATOM 153 C VAL A 10 -0.525 -5.942 -7.547 1.00 0.00 C ATOM 154 O VAL A 10 -1.736 -6.089 -7.398 1.00 0.00 O ATOM 155 CB VAL A 10 0.164 -5.246 -5.214 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.149 -6.383 -4.915 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.500 -4.082 -4.269 1.00 0.00 C ATOM 0 H VAL A 10 -1.199 -3.409 -6.428 1.00 0.00 H new ATOM 0 HA VAL A 10 1.277 -4.891 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.873 -5.524 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.108 -6.630 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.881 -7.261 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.159 -6.067 -5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.431 -4.421 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.513 -3.732 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.205 -3.267 -4.431 1.00 0.00 H new ATOM 167 N TYR A 11 0.198 -6.665 -8.410 1.00 0.00 N ATOM 168 CA TYR A 11 -0.353 -7.724 -9.253 1.00 0.00 C ATOM 169 C TYR A 11 -0.082 -9.100 -8.639 1.00 0.00 C ATOM 170 O TYR A 11 0.649 -9.217 -7.657 1.00 0.00 O ATOM 171 CB TYR A 11 0.211 -7.614 -10.676 1.00 0.00 C ATOM 172 CG TYR A 11 -0.305 -6.429 -11.478 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.127 -5.121 -11.183 1.00 0.00 C ATOM 174 CD2 TYR A 11 -1.165 -6.643 -12.573 1.00 0.00 C ATOM 175 CE1 TYR A 11 -0.246 -4.048 -12.011 1.00 0.00 C ATOM 176 CE2 TYR A 11 -1.538 -5.569 -13.400 1.00 0.00 C ATOM 177 CZ TYR A 11 -1.062 -4.275 -13.131 1.00 0.00 C ATOM 178 OH TYR A 11 -1.385 -3.239 -13.958 1.00 0.00 O ATOM 0 H TYR A 11 1.200 -6.525 -8.542 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.435 -7.604 -9.312 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.297 -7.549 -10.617 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.025 -8.531 -11.217 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.747 -4.942 -10.317 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.539 -7.635 -12.778 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.095 -3.048 -11.786 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.191 -5.739 -14.243 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.955 -3.566 -14.685 1.00 0.00 H new ATOM 188 N GLY A 12 -0.688 -10.144 -9.218 1.00 0.00 N ATOM 189 CA GLY A 12 -0.586 -11.503 -8.720 1.00 0.00 C ATOM 190 C GLY A 12 -1.516 -11.752 -7.540 1.00 0.00 C ATOM 191 O GLY A 12 -2.448 -10.990 -7.295 1.00 0.00 O ATOM 0 H GLY A 12 -1.267 -10.058 -10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.824 -12.201 -9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.442 -11.702 -8.419 1.00 0.00 H new ATOM 195 N ARG A 13 -1.271 -12.857 -6.829 1.00 0.00 N ATOM 196 CA ARG A 13 -2.216 -13.392 -5.857 1.00 0.00 C ATOM 197 C ARG A 13 -2.072 -12.727 -4.494 1.00 0.00 C ATOM 198 O ARG A 13 -1.400 -13.249 -3.607 1.00 0.00 O ATOM 199 CB ARG A 13 -2.077 -14.903 -5.716 1.00 0.00 C ATOM 200 CG ARG A 13 -2.122 -15.628 -7.064 1.00 0.00 C ATOM 201 CD ARG A 13 -2.859 -16.959 -6.902 1.00 0.00 C ATOM 202 NE ARG A 13 -2.548 -17.875 -8.004 1.00 0.00 N ATOM 203 CZ ARG A 13 -1.466 -18.672 -8.053 1.00 0.00 C ATOM 204 NH1 ARG A 13 -0.569 -18.678 -7.055 1.00 0.00 N ATOM 205 NH2 ARG A 13 -1.282 -19.469 -9.113 1.00 0.00 N ATOM 0 H ARG A 13 -0.413 -13.401 -6.914 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.212 -13.168 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.136 -15.132 -5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.877 -15.280 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.626 -15.009 -7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.110 -15.802 -7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.580 -17.419 -5.954 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.934 -16.781 -6.866 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.198 -17.910 -8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.703 -18.073 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.247 -19.288 -7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.960 -19.468 -9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.464 -20.077 -9.158 1.00 0.00 H new ATOM 219 N VAL A 14 -2.719 -11.571 -4.353 1.00 0.00 N ATOM 220 CA VAL A 14 -2.597 -10.709 -3.186 1.00 0.00 C ATOM 221 C VAL A 14 -3.960 -10.535 -2.506 1.00 0.00 C ATOM 222 O VAL A 14 -4.060 -10.670 -1.287 1.00 0.00 O ATOM 223 CB VAL A 14 -1.959 -9.376 -3.607 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.590 -8.542 -2.371 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.670 -9.624 -4.404 1.00 0.00 C ATOM 0 H VAL A 14 -3.354 -11.204 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.942 -11.166 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.687 -8.844 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.139 -7.601 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.489 -8.336 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.880 -9.096 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.232 -8.669 -4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.039 -10.176 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.901 -10.203 -5.298 1.00 0.00 H new ATOM 235 N GLN A 15 -5.011 -10.242 -3.286 1.00 0.00 N ATOM 236 CA GLN A 15 -6.366 -10.116 -2.758 1.00 0.00 C ATOM 237 C GLN A 15 -6.890 -11.469 -2.274 1.00 0.00 C ATOM 238 O GLN A 15 -6.552 -12.512 -2.831 1.00 0.00 O ATOM 239 CB GLN A 15 -7.310 -9.459 -3.773 1.00 0.00 C ATOM 240 CG GLN A 15 -7.557 -10.244 -5.063 1.00 0.00 C ATOM 241 CD GLN A 15 -8.649 -9.555 -5.878 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.691 -10.146 -6.150 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.433 -8.290 -6.240 1.00 0.00 N ATOM 0 H GLN A 15 -4.941 -10.088 -4.292 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.330 -9.453 -1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.270 -9.285 -3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.905 -8.482 -4.037 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.638 -10.305 -5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.854 -11.266 -4.828 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.555 -7.833 -5.996 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.146 -7.780 -6.761 1.00 0.00 H new ATOM 252 N GLY A 16 -7.712 -11.439 -1.219 1.00 0.00 N ATOM 253 CA GLY A 16 -8.333 -12.618 -0.634 1.00 0.00 C ATOM 254 C GLY A 16 -7.352 -13.522 0.120 1.00 0.00 C ATOM 255 O GLY A 16 -7.679 -14.677 0.384 1.00 0.00 O ATOM 0 H GLY A 16 -7.965 -10.573 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.120 -12.301 0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.811 -13.196 -1.425 1.00 0.00 H new ATOM 259 N VAL A 17 -6.172 -13.002 0.485 1.00 0.00 N ATOM 260 CA VAL A 17 -5.170 -13.698 1.288 1.00 0.00 C ATOM 261 C VAL A 17 -5.222 -13.170 2.723 1.00 0.00 C ATOM 262 O VAL A 17 -5.152 -13.947 3.673 1.00 0.00 O ATOM 263 CB VAL A 17 -3.780 -13.507 0.655 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.665 -14.106 1.524 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.740 -14.164 -0.731 1.00 0.00 C ATOM 0 H VAL A 17 -5.885 -12.060 0.220 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.377 -14.768 1.314 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.608 -12.434 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.702 -13.948 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.664 -13.621 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.837 -15.175 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.753 -14.024 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.946 -15.230 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.492 -13.705 -1.373 1.00 0.00 H new ATOM 275 N GLY A 18 -5.337 -11.845 2.864 1.00 0.00 N ATOM 276 CA GLY A 18 -5.321 -11.120 4.118 1.00 0.00 C ATOM 277 C GLY A 18 -4.076 -10.243 4.227 1.00 0.00 C ATOM 278 O GLY A 18 -3.615 -9.972 5.334 1.00 0.00 O ATOM 0 H GLY A 18 -5.449 -11.227 2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.214 -10.501 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.348 -11.824 4.950 1.00 0.00 H new ATOM 282 N PHE A 19 -3.551 -9.785 3.081 1.00 0.00 N ATOM 283 CA PHE A 19 -2.404 -8.893 2.998 1.00 0.00 C ATOM 284 C PHE A 19 -2.583 -7.671 3.901 1.00 0.00 C ATOM 285 O PHE A 19 -1.632 -7.211 4.524 1.00 0.00 O ATOM 286 CB PHE A 19 -2.192 -8.472 1.535 1.00 0.00 C ATOM 287 CG PHE A 19 -0.732 -8.297 1.177 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.056 -9.435 0.925 1.00 0.00 C ATOM 289 CD2 PHE A 19 -0.126 -7.029 1.237 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.442 -9.310 0.745 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.267 -6.911 1.096 1.00 0.00 C ATOM 292 CZ PHE A 19 2.054 -8.048 0.850 1.00 0.00 C ATOM 0 H PHE A 19 -3.928 -10.036 2.167 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.519 -9.423 3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.634 -9.222 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.720 -7.536 1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.408 -10.409 0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.731 -6.147 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.039 -10.183 0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.735 -5.941 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.124 -7.954 0.742 1.00 0.00 H new ATOM 302 N ARG A 20 -3.816 -7.158 3.985 1.00 0.00 N ATOM 303 CA ARG A 20 -4.180 -5.998 4.780 1.00 0.00 C ATOM 304 C ARG A 20 -4.247 -6.307 6.282 1.00 0.00 C ATOM 305 O ARG A 20 -5.286 -6.122 6.914 1.00 0.00 O ATOM 306 CB ARG A 20 -5.504 -5.432 4.253 1.00 0.00 C ATOM 307 CG ARG A 20 -6.685 -6.425 4.307 1.00 0.00 C ATOM 308 CD ARG A 20 -7.112 -6.973 2.936 1.00 0.00 C ATOM 309 NE ARG A 20 -8.556 -7.251 2.924 1.00 0.00 N ATOM 310 CZ ARG A 20 -9.211 -8.042 2.057 1.00 0.00 C ATOM 311 NH1 ARG A 20 -8.552 -8.747 1.126 1.00 0.00 N ATOM 312 NH2 ARG A 20 -10.547 -8.122 2.124 1.00 0.00 N ATOM 0 H ARG A 20 -4.608 -7.558 3.482 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.398 -5.246 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.763 -4.546 4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.363 -5.109 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.413 -7.261 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.539 -5.931 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.867 -6.252 2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.558 -7.884 2.712 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.117 -6.798 3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.535 -8.689 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.067 -9.342 0.477 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.055 -7.586 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.056 -8.719 1.472 1.00 0.00 H new ATOM 326 N TYR A 21 -3.122 -6.745 6.855 1.00 0.00 N ATOM 327 CA TYR A 21 -2.983 -7.066 8.266 1.00 0.00 C ATOM 328 C TYR A 21 -2.098 -6.010 8.926 1.00 0.00 C ATOM 329 O TYR A 21 -2.596 -5.161 9.663 1.00 0.00 O ATOM 330 CB TYR A 21 -2.436 -8.495 8.407 1.00 0.00 C ATOM 331 CG TYR A 21 -2.669 -9.118 9.769 1.00 0.00 C ATOM 332 CD1 TYR A 21 -1.903 -8.715 10.879 1.00 0.00 C ATOM 333 CD2 TYR A 21 -3.672 -10.093 9.929 1.00 0.00 C ATOM 334 CE1 TYR A 21 -2.146 -9.280 12.143 1.00 0.00 C ATOM 335 CE2 TYR A 21 -3.902 -10.669 11.190 1.00 0.00 C ATOM 336 CZ TYR A 21 -3.138 -10.263 12.297 1.00 0.00 C ATOM 337 OH TYR A 21 -3.358 -10.823 13.522 1.00 0.00 O ATOM 0 H TYR A 21 -2.261 -6.888 6.328 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.945 -7.045 8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.898 -9.126 7.648 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.365 -8.484 8.203 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.129 -7.972 10.760 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.266 -10.399 9.081 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.569 -8.958 12.997 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.666 -11.423 11.308 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.078 -11.484 13.455 1.00 0.00 H new ATOM 347 N THR A 22 -0.789 -6.054 8.647 1.00 0.00 N ATOM 348 CA THR A 22 0.175 -5.135 9.236 1.00 0.00 C ATOM 349 C THR A 22 0.046 -3.722 8.663 1.00 0.00 C ATOM 350 O THR A 22 0.436 -2.779 9.340 1.00 0.00 O ATOM 351 CB THR A 22 1.604 -5.687 9.148 1.00 0.00 C ATOM 352 OG1 THR A 22 2.465 -4.904 9.950 1.00 0.00 O ATOM 353 CG2 THR A 22 2.133 -5.712 7.715 1.00 0.00 C ATOM 0 H THR A 22 -0.375 -6.730 8.006 1.00 0.00 H new ATOM 0 HA THR A 22 -0.060 -5.049 10.297 1.00 0.00 H new ATOM 0 HB THR A 22 1.576 -6.716 9.507 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.377 -5.259 9.894 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.147 -6.111 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.491 -6.343 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.139 -4.699 7.312 1.00 0.00 H new ATOM 361 N THR A 23 -0.514 -3.572 7.449 1.00 0.00 N ATOM 362 CA THR A 23 -0.733 -2.284 6.792 1.00 0.00 C ATOM 363 C THR A 23 -1.240 -1.202 7.762 1.00 0.00 C ATOM 364 O THR A 23 -0.784 -0.065 7.699 1.00 0.00 O ATOM 365 CB THR A 23 -1.655 -2.471 5.572 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.599 -1.326 4.746 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.119 -2.739 5.936 1.00 0.00 C ATOM 0 H THR A 23 -0.832 -4.364 6.891 1.00 0.00 H new ATOM 0 HA THR A 23 0.229 -1.914 6.436 1.00 0.00 H new ATOM 0 HB THR A 23 -1.284 -3.355 5.053 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.421 -0.804 4.854 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.704 -2.859 5.024 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.185 -3.649 6.532 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.511 -1.900 6.510 1.00 0.00 H new ATOM 375 N GLN A 24 -2.141 -1.571 8.686 1.00 0.00 N ATOM 376 CA GLN A 24 -2.663 -0.690 9.725 1.00 0.00 C ATOM 377 C GLN A 24 -1.591 -0.408 10.785 1.00 0.00 C ATOM 378 O GLN A 24 -1.244 0.749 11.009 1.00 0.00 O ATOM 379 CB GLN A 24 -3.912 -1.319 10.362 1.00 0.00 C ATOM 380 CG GLN A 24 -5.049 -1.497 9.339 1.00 0.00 C ATOM 381 CD GLN A 24 -6.261 -0.598 9.547 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.512 -0.084 10.634 1.00 0.00 O ATOM 383 NE2 GLN A 24 -7.044 -0.439 8.481 1.00 0.00 N ATOM 0 H GLN A 24 -2.531 -2.513 8.726 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.943 0.262 9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.653 -2.288 10.790 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.257 -0.690 11.183 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.649 -1.315 8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.379 -2.535 9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.798 -0.884 7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.889 0.128 8.549 1.00 0.00 H new ATOM 392 N TYR A 25 -1.087 -1.457 11.450 1.00 0.00 N ATOM 393 CA TYR A 25 -0.080 -1.353 12.504 1.00 0.00 C ATOM 394 C TYR A 25 1.112 -0.497 12.068 1.00 0.00 C ATOM 395 O TYR A 25 1.420 0.501 12.714 1.00 0.00 O ATOM 396 CB TYR A 25 0.388 -2.755 12.914 1.00 0.00 C ATOM 397 CG TYR A 25 -0.629 -3.554 13.707 1.00 0.00 C ATOM 398 CD1 TYR A 25 -0.762 -3.330 15.090 1.00 0.00 C ATOM 399 CD2 TYR A 25 -1.392 -4.561 13.089 1.00 0.00 C ATOM 400 CE1 TYR A 25 -1.619 -4.139 15.856 1.00 0.00 C ATOM 401 CE2 TYR A 25 -2.232 -5.386 13.858 1.00 0.00 C ATOM 402 CZ TYR A 25 -2.339 -5.180 15.244 1.00 0.00 C ATOM 403 OH TYR A 25 -3.141 -5.986 15.997 1.00 0.00 O ATOM 0 H TYR A 25 -1.376 -2.417 11.264 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.538 -0.859 13.361 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.649 -3.314 12.015 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.298 -2.661 13.506 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.205 -2.535 15.564 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.333 -4.701 12.020 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.725 -3.961 16.916 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.794 -6.177 13.384 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.568 -6.654 15.420 1.00 0.00 H new ATOM 413 N GLU A 26 1.773 -0.893 10.974 1.00 0.00 N ATOM 414 CA GLU A 26 2.911 -0.192 10.397 1.00 0.00 C ATOM 415 C GLU A 26 2.575 1.276 10.147 1.00 0.00 C ATOM 416 O GLU A 26 3.313 2.159 10.580 1.00 0.00 O ATOM 417 CB GLU A 26 3.337 -0.890 9.097 1.00 0.00 C ATOM 418 CG GLU A 26 4.665 -1.636 9.275 1.00 0.00 C ATOM 419 CD GLU A 26 5.069 -2.478 8.063 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.192 -2.685 7.178 1.00 0.00 O ATOM 421 OE2 GLU A 26 6.230 -2.906 8.035 1.00 0.00 O ATOM 0 H GLU A 26 1.519 -1.734 10.456 1.00 0.00 H new ATOM 0 HA GLU A 26 3.742 -0.221 11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.562 -1.591 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.436 -0.152 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.453 -0.912 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.592 -2.285 10.148 1.00 0.00 H new ATOM 428 N ALA A 27 1.451 1.529 9.465 1.00 0.00 N ATOM 429 CA ALA A 27 0.988 2.881 9.181 1.00 0.00 C ATOM 430 C ALA A 27 0.885 3.730 10.446 1.00 0.00 C ATOM 431 O ALA A 27 1.121 4.932 10.395 1.00 0.00 O ATOM 432 CB ALA A 27 -0.369 2.833 8.473 1.00 0.00 C ATOM 0 H ALA A 27 0.842 0.798 9.097 1.00 0.00 H new ATOM 0 HA ALA A 27 1.726 3.349 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.707 3.848 8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.272 2.284 7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.096 2.333 9.113 1.00 0.00 H new ATOM 438 N LYS A 28 0.541 3.100 11.575 1.00 0.00 N ATOM 439 CA LYS A 28 0.392 3.756 12.865 1.00 0.00 C ATOM 440 C LYS A 28 1.731 4.253 13.421 1.00 0.00 C ATOM 441 O LYS A 28 1.755 5.236 14.159 1.00 0.00 O ATOM 442 CB LYS A 28 -0.322 2.798 13.839 1.00 0.00 C ATOM 443 CG LYS A 28 -1.462 3.486 14.605 1.00 0.00 C ATOM 444 CD LYS A 28 -2.653 2.540 14.813 1.00 0.00 C ATOM 445 CE LYS A 28 -3.908 3.364 15.124 1.00 0.00 C ATOM 446 NZ LYS A 28 -4.944 2.557 15.790 1.00 0.00 N ATOM 0 H LYS A 28 0.356 2.098 11.611 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.220 4.649 12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.721 1.950 13.283 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.402 2.401 14.550 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.096 3.830 15.573 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.789 4.369 14.056 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.813 1.936 13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.445 1.850 15.631 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.640 4.207 15.760 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.309 3.778 14.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.776 3.151 15.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.219 1.767 15.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.570 2.183 16.686 1.00 0.00 H new ATOM 460 N ARG A 29 2.841 3.591 13.067 1.00 0.00 N ATOM 461 CA ARG A 29 4.183 3.968 13.493 1.00 0.00 C ATOM 462 C ARG A 29 4.608 5.260 12.794 1.00 0.00 C ATOM 463 O ARG A 29 5.123 6.170 13.441 1.00 0.00 O ATOM 464 CB ARG A 29 5.175 2.838 13.177 1.00 0.00 C ATOM 465 CG ARG A 29 4.730 1.506 13.796 1.00 0.00 C ATOM 466 CD ARG A 29 5.478 0.310 13.197 1.00 0.00 C ATOM 467 NE ARG A 29 6.717 -0.006 13.919 1.00 0.00 N ATOM 468 CZ ARG A 29 6.773 -0.652 15.096 1.00 0.00 C ATOM 469 NH1 ARG A 29 5.651 -0.974 15.756 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.962 -0.981 15.616 1.00 0.00 N ATOM 0 H ARG A 29 2.824 2.766 12.467 1.00 0.00 H new ATOM 0 HA ARG A 29 4.180 4.136 14.570 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.267 2.725 12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.162 3.104 13.555 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.897 1.534 14.873 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.659 1.376 13.643 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.825 -0.563 13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.714 0.520 12.154 1.00 0.00 H new ATOM 0 HE ARG A 29 7.598 0.286 13.497 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.741 -0.729 15.365 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.707 -1.464 16.649 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.820 -0.741 15.119 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.010 -1.471 16.509 1.00 0.00 H new ATOM 484 N LEU A 30 4.401 5.331 11.473 1.00 0.00 N ATOM 485 CA LEU A 30 4.810 6.474 10.665 1.00 0.00 C ATOM 486 C LEU A 30 3.829 7.637 10.824 1.00 0.00 C ATOM 487 O LEU A 30 4.244 8.792 10.893 1.00 0.00 O ATOM 488 CB LEU A 30 4.905 6.057 9.192 1.00 0.00 C ATOM 489 CG LEU A 30 5.819 4.846 8.948 1.00 0.00 C ATOM 490 CD1 LEU A 30 5.693 4.445 7.478 1.00 0.00 C ATOM 491 CD2 LEU A 30 7.287 5.137 9.274 1.00 0.00 C ATOM 0 H LEU A 30 3.944 4.593 10.938 1.00 0.00 H new ATOM 0 HA LEU A 30 5.788 6.810 11.009 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.905 5.826 8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.272 6.901 8.608 1.00 0.00 H new ATOM 0 HG LEU A 30 5.503 4.041 9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.334 3.586 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.658 4.184 7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.998 5.279 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.886 4.246 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.643 5.955 8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.378 5.417 10.323 1.00 0.00 H new ATOM 503 N GLY A 31 2.530 7.320 10.862 1.00 0.00 N ATOM 504 CA GLY A 31 1.438 8.273 10.969 1.00 0.00 C ATOM 505 C GLY A 31 0.956 8.782 9.611 1.00 0.00 C ATOM 506 O GLY A 31 0.350 9.850 9.539 1.00 0.00 O ATOM 0 H GLY A 31 2.206 6.354 10.817 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.604 7.805 11.492 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.760 9.120 11.575 1.00 0.00 H new ATOM 510 N LEU A 32 1.214 8.022 8.541 1.00 0.00 N ATOM 511 CA LEU A 32 0.764 8.345 7.190 1.00 0.00 C ATOM 512 C LEU A 32 -0.703 7.965 6.980 1.00 0.00 C ATOM 513 O LEU A 32 -1.334 7.375 7.857 1.00 0.00 O ATOM 514 CB LEU A 32 1.692 7.716 6.142 1.00 0.00 C ATOM 515 CG LEU A 32 1.343 6.298 5.662 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.445 5.824 4.728 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.210 5.300 6.810 1.00 0.00 C ATOM 0 H LEU A 32 1.748 7.155 8.594 1.00 0.00 H new ATOM 0 HA LEU A 32 0.821 9.426 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.714 8.372 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.702 7.696 6.552 1.00 0.00 H new ATOM 0 HG LEU A 32 0.377 6.346 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.216 4.818 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.515 6.500 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.395 5.814 5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.963 4.316 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.153 5.244 7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.419 5.626 7.486 1.00 0.00 H new ATOM 529 N THR A 33 -1.239 8.318 5.808 1.00 0.00 N ATOM 530 CA THR A 33 -2.647 8.151 5.489 1.00 0.00 C ATOM 531 C THR A 33 -2.769 7.187 4.306 1.00 0.00 C ATOM 532 O THR A 33 -1.801 6.500 3.986 1.00 0.00 O ATOM 533 CB THR A 33 -3.243 9.536 5.209 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.678 10.101 4.046 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.019 10.489 6.392 1.00 0.00 C ATOM 0 H THR A 33 -0.696 8.732 5.050 1.00 0.00 H new ATOM 0 HA THR A 33 -3.209 7.715 6.315 1.00 0.00 H new ATOM 0 HB THR A 33 -4.314 9.401 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.951 11.039 3.973 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.453 11.462 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.495 10.081 7.283 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.950 10.602 6.571 1.00 0.00 H new ATOM 543 N GLY A 34 -3.926 7.146 3.630 1.00 0.00 N ATOM 544 CA GLY A 34 -4.082 6.409 2.383 1.00 0.00 C ATOM 545 C GLY A 34 -5.157 5.341 2.480 1.00 0.00 C ATOM 546 O GLY A 34 -6.065 5.439 3.302 1.00 0.00 O ATOM 0 H GLY A 34 -4.773 7.624 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.333 7.103 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.133 5.944 2.116 1.00 0.00 H new ATOM 550 N TYR A 35 -5.034 4.318 1.630 1.00 0.00 N ATOM 551 CA TYR A 35 -5.886 3.134 1.694 1.00 0.00 C ATOM 552 C TYR A 35 -5.395 2.006 0.783 1.00 0.00 C ATOM 553 O TYR A 35 -4.618 2.248 -0.140 1.00 0.00 O ATOM 554 CB TYR A 35 -7.345 3.478 1.359 1.00 0.00 C ATOM 555 CG TYR A 35 -7.554 3.892 -0.087 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.437 5.246 -0.455 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.702 2.911 -1.085 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.512 5.618 -1.809 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.712 3.280 -2.440 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.659 4.634 -2.801 1.00 0.00 C ATOM 561 OH TYR A 35 -7.756 4.992 -4.114 1.00 0.00 O ATOM 0 H TYR A 35 -4.342 4.290 0.881 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.831 2.776 2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.972 2.613 1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.679 4.285 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.289 6.000 0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.808 1.872 -0.808 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.457 6.660 -2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.761 2.520 -3.205 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.852 4.188 -4.666 1.00 0.00 H new ATOM 571 N ALA A 36 -5.882 0.782 1.048 1.00 0.00 N ATOM 572 CA ALA A 36 -5.455 -0.441 0.373 1.00 0.00 C ATOM 573 C ALA A 36 -6.652 -1.195 -0.222 1.00 0.00 C ATOM 574 O ALA A 36 -7.176 -2.108 0.412 1.00 0.00 O ATOM 575 CB ALA A 36 -4.697 -1.301 1.387 1.00 0.00 C ATOM 0 H ALA A 36 -6.599 0.619 1.755 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.800 -0.196 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.366 -2.222 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.830 -0.752 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.354 -1.542 2.223 1.00 0.00 H new ATOM 581 N LYS A 37 -7.082 -0.827 -1.435 1.00 0.00 N ATOM 582 CA LYS A 37 -8.238 -1.425 -2.107 1.00 0.00 C ATOM 583 C LYS A 37 -7.817 -2.584 -3.008 1.00 0.00 C ATOM 584 O LYS A 37 -6.629 -2.837 -3.171 1.00 0.00 O ATOM 585 CB LYS A 37 -9.019 -0.353 -2.884 1.00 0.00 C ATOM 586 CG LYS A 37 -10.152 0.201 -2.013 1.00 0.00 C ATOM 587 CD LYS A 37 -10.911 1.351 -2.684 1.00 0.00 C ATOM 588 CE LYS A 37 -12.235 1.604 -1.951 1.00 0.00 C ATOM 589 NZ LYS A 37 -12.993 2.715 -2.552 1.00 0.00 N ATOM 0 H LYS A 37 -6.629 -0.096 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.902 -1.838 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.349 0.454 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.428 -0.781 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.851 -0.602 -1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.739 0.548 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.302 2.255 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.105 1.109 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.841 0.698 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.033 1.827 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.880 2.853 -2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.426 3.586 -2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.209 2.491 -3.545 1.00 0.00 H new ATOM 603 N ASN A 38 -8.803 -3.303 -3.564 1.00 0.00 N ATOM 604 CA ASN A 38 -8.592 -4.469 -4.415 1.00 0.00 C ATOM 605 C ASN A 38 -9.311 -4.264 -5.749 1.00 0.00 C ATOM 606 O ASN A 38 -10.484 -3.896 -5.766 1.00 0.00 O ATOM 607 CB ASN A 38 -9.066 -5.762 -3.733 1.00 0.00 C ATOM 608 CG ASN A 38 -8.459 -6.058 -2.367 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.682 -5.289 -1.807 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.827 -7.209 -1.814 1.00 0.00 N ATOM 0 H ASN A 38 -9.789 -3.080 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.522 -4.576 -4.594 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.150 -5.716 -3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.847 -6.600 -4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.462 -7.475 -0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.474 -7.826 -2.304 1.00 0.00 H new ATOM 617 N LEU A 39 -8.597 -4.516 -6.854 1.00 0.00 N ATOM 618 CA LEU A 39 -9.113 -4.472 -8.216 1.00 0.00 C ATOM 619 C LEU A 39 -10.075 -5.631 -8.472 1.00 0.00 C ATOM 620 O LEU A 39 -10.210 -6.546 -7.662 1.00 0.00 O ATOM 621 CB LEU A 39 -7.952 -4.510 -9.233 1.00 0.00 C ATOM 622 CG LEU A 39 -7.333 -3.135 -9.533 1.00 0.00 C ATOM 623 CD1 LEU A 39 -6.152 -3.278 -10.502 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.370 -2.194 -10.163 1.00 0.00 C ATOM 0 H LEU A 39 -7.609 -4.765 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.660 -3.538 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.173 -5.172 -8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.314 -4.944 -10.165 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.989 -2.716 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.726 -2.295 -10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.391 -3.919 -10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.499 -3.721 -11.435 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.908 -1.228 -10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.734 -2.626 -11.095 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.205 -2.060 -9.475 1.00 0.00 H new ATOM 636 N ASP A 40 -10.739 -5.573 -9.630 1.00 0.00 N ATOM 637 CA ASP A 40 -11.710 -6.557 -10.082 1.00 0.00 C ATOM 638 C ASP A 40 -11.062 -7.629 -10.973 1.00 0.00 C ATOM 639 O ASP A 40 -11.770 -8.458 -11.541 1.00 0.00 O ATOM 640 CB ASP A 40 -12.834 -5.797 -10.805 1.00 0.00 C ATOM 641 CG ASP A 40 -14.078 -6.650 -11.038 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.687 -7.053 -10.023 1.00 0.00 O ATOM 643 OD2 ASP A 40 -14.408 -6.867 -12.225 1.00 0.00 O ATOM 0 H ASP A 40 -10.607 -4.812 -10.296 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.122 -7.101 -9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.107 -4.919 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.463 -5.437 -11.764 1.00 0.00 H new ATOM 648 N ASP A 41 -9.724 -7.620 -11.092 1.00 0.00 N ATOM 649 CA ASP A 41 -8.966 -8.504 -11.972 1.00 0.00 C ATOM 650 C ASP A 41 -8.108 -9.505 -11.186 1.00 0.00 C ATOM 651 O ASP A 41 -7.674 -10.505 -11.753 1.00 0.00 O ATOM 652 CB ASP A 41 -8.113 -7.653 -12.924 1.00 0.00 C ATOM 653 CG ASP A 41 -7.714 -8.430 -14.175 1.00 0.00 C ATOM 654 OD1 ASP A 41 -8.560 -8.498 -15.092 1.00 0.00 O ATOM 655 OD2 ASP A 41 -6.569 -8.933 -14.198 1.00 0.00 O ATOM 0 H ASP A 41 -9.132 -6.980 -10.563 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.667 -9.102 -12.555 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.670 -6.761 -13.212 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.216 -7.315 -12.405 1.00 0.00 H new ATOM 660 N GLY A 42 -7.878 -9.245 -9.890 1.00 0.00 N ATOM 661 CA GLY A 42 -7.126 -10.100 -8.986 1.00 0.00 C ATOM 662 C GLY A 42 -5.985 -9.393 -8.250 1.00 0.00 C ATOM 663 O GLY A 42 -5.122 -10.062 -7.688 1.00 0.00 O ATOM 0 H GLY A 42 -8.227 -8.401 -9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.811 -10.522 -8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.714 -10.935 -9.553 1.00 0.00 H new ATOM 667 N SER A 43 -5.967 -8.057 -8.274 1.00 0.00 N ATOM 668 CA SER A 43 -4.843 -7.214 -7.852 1.00 0.00 C ATOM 669 C SER A 43 -5.221 -6.298 -6.674 1.00 0.00 C ATOM 670 O SER A 43 -6.400 -6.184 -6.350 1.00 0.00 O ATOM 671 CB SER A 43 -4.357 -6.403 -9.067 1.00 0.00 C ATOM 672 OG SER A 43 -5.278 -6.428 -10.143 1.00 0.00 O ATOM 0 H SER A 43 -6.765 -7.512 -8.600 1.00 0.00 H new ATOM 0 HA SER A 43 -4.035 -7.849 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.186 -5.370 -8.764 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.399 -6.800 -9.404 1.00 0.00 H new ATOM 0 HG SER A 43 -4.925 -5.898 -10.888 1.00 0.00 H new ATOM 678 N VAL A 44 -4.223 -5.685 -6.011 1.00 0.00 N ATOM 679 CA VAL A 44 -4.404 -4.858 -4.810 1.00 0.00 C ATOM 680 C VAL A 44 -3.755 -3.476 -4.978 1.00 0.00 C ATOM 681 O VAL A 44 -2.550 -3.397 -5.185 1.00 0.00 O ATOM 682 CB VAL A 44 -3.856 -5.615 -3.583 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.918 -4.773 -2.300 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.701 -6.874 -3.342 1.00 0.00 C ATOM 0 H VAL A 44 -3.248 -5.754 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.468 -4.676 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.815 -5.856 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.521 -5.351 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.324 -3.868 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.953 -4.501 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.315 -7.411 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.737 -6.588 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.652 -7.519 -4.219 1.00 0.00 H new ATOM 694 N GLU A 45 -4.535 -2.390 -4.868 1.00 0.00 N ATOM 695 CA GLU A 45 -4.084 -1.009 -5.033 1.00 0.00 C ATOM 696 C GLU A 45 -3.803 -0.341 -3.685 1.00 0.00 C ATOM 697 O GLU A 45 -4.738 -0.123 -2.915 1.00 0.00 O ATOM 698 CB GLU A 45 -5.161 -0.174 -5.739 1.00 0.00 C ATOM 699 CG GLU A 45 -5.839 -0.887 -6.906 1.00 0.00 C ATOM 700 CD GLU A 45 -6.565 0.127 -7.788 1.00 0.00 C ATOM 701 OE1 GLU A 45 -7.271 0.981 -7.209 1.00 0.00 O ATOM 702 OE2 GLU A 45 -6.386 0.048 -9.022 1.00 0.00 O ATOM 0 H GLU A 45 -5.530 -2.457 -4.654 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.169 -1.049 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.920 0.110 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.709 0.748 -6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.097 -1.427 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.546 -1.626 -6.530 1.00 0.00 H new ATOM 709 N VAL A 46 -2.545 0.024 -3.410 1.00 0.00 N ATOM 710 CA VAL A 46 -2.159 0.650 -2.147 1.00 0.00 C ATOM 711 C VAL A 46 -1.693 2.087 -2.384 1.00 0.00 C ATOM 712 O VAL A 46 -0.893 2.321 -3.284 1.00 0.00 O ATOM 713 CB VAL A 46 -1.060 -0.185 -1.477 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.691 0.413 -0.113 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.536 -1.632 -1.284 1.00 0.00 C ATOM 0 H VAL A 46 -1.769 -0.108 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.022 0.687 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.182 -0.176 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.090 -0.191 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.329 1.432 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.571 0.423 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.747 -2.214 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.425 -1.642 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.774 -2.069 -2.254 1.00 0.00 H new ATOM 725 N VAL A 47 -2.175 3.039 -1.575 1.00 0.00 N ATOM 726 CA VAL A 47 -1.825 4.457 -1.680 1.00 0.00 C ATOM 727 C VAL A 47 -1.366 4.979 -0.315 1.00 0.00 C ATOM 728 O VAL A 47 -1.915 4.550 0.698 1.00 0.00 O ATOM 729 CB VAL A 47 -3.037 5.279 -2.151 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.586 6.623 -2.735 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.902 4.555 -3.194 1.00 0.00 C ATOM 0 H VAL A 47 -2.829 2.840 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.020 4.560 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.649 5.431 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.458 7.189 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.051 7.190 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.928 6.447 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.738 5.194 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.299 4.330 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.284 3.627 -2.769 1.00 0.00 H new ATOM 741 N ALA A 48 -0.369 5.879 -0.284 1.00 0.00 N ATOM 742 CA ALA A 48 0.237 6.345 0.967 1.00 0.00 C ATOM 743 C ALA A 48 0.856 7.732 0.793 1.00 0.00 C ATOM 744 O ALA A 48 1.593 7.925 -0.169 1.00 0.00 O ATOM 745 CB ALA A 48 1.355 5.365 1.326 1.00 0.00 C ATOM 0 H ALA A 48 0.035 6.299 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.528 6.399 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.831 5.680 2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.937 4.367 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.095 5.349 0.526 1.00 0.00 H new ATOM 751 N CYS A 49 0.597 8.667 1.719 1.00 0.00 N ATOM 752 CA CYS A 49 1.127 10.034 1.695 1.00 0.00 C ATOM 753 C CYS A 49 2.303 10.218 2.655 1.00 0.00 C ATOM 754 O CYS A 49 2.712 9.281 3.333 1.00 0.00 O ATOM 755 CB CYS A 49 -0.018 11.001 2.000 1.00 0.00 C ATOM 756 SG CYS A 49 -1.248 11.126 0.674 1.00 0.00 S ATOM 0 H CYS A 49 -0.002 8.487 2.525 1.00 0.00 H new ATOM 0 HA CYS A 49 1.528 10.245 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.516 10.681 2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.397 11.991 2.192 1.00 0.00 H new ATOM 761 N GLY A 50 2.849 11.439 2.696 1.00 0.00 N ATOM 762 CA GLY A 50 3.949 11.818 3.572 1.00 0.00 C ATOM 763 C GLY A 50 5.280 11.756 2.827 1.00 0.00 C ATOM 764 O GLY A 50 5.300 11.749 1.598 1.00 0.00 O ATOM 0 H GLY A 50 2.526 12.205 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.786 12.826 3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.979 11.153 4.435 1.00 0.00 H new ATOM 768 N GLU A 51 6.390 11.725 3.574 1.00 0.00 N ATOM 769 CA GLU A 51 7.737 11.662 3.019 1.00 0.00 C ATOM 770 C GLU A 51 8.006 10.268 2.461 1.00 0.00 C ATOM 771 O GLU A 51 7.951 9.301 3.215 1.00 0.00 O ATOM 772 CB GLU A 51 8.767 11.966 4.111 1.00 0.00 C ATOM 773 CG GLU A 51 8.735 13.434 4.546 1.00 0.00 C ATOM 774 CD GLU A 51 9.770 13.732 5.631 1.00 0.00 C ATOM 775 OE1 GLU A 51 10.630 12.857 5.873 1.00 0.00 O ATOM 776 OE2 GLU A 51 9.680 14.841 6.201 1.00 0.00 O ATOM 0 H GLU A 51 6.372 11.743 4.594 1.00 0.00 H new ATOM 0 HA GLU A 51 7.819 12.399 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.577 11.329 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.764 11.719 3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.921 14.072 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.740 13.681 4.916 1.00 0.00 H new ATOM 783 N GLU A 52 8.332 10.176 1.167 1.00 0.00 N ATOM 784 CA GLU A 52 8.573 8.926 0.450 1.00 0.00 C ATOM 785 C GLU A 52 9.496 7.998 1.243 1.00 0.00 C ATOM 786 O GLU A 52 9.172 6.833 1.463 1.00 0.00 O ATOM 787 CB GLU A 52 9.172 9.223 -0.937 1.00 0.00 C ATOM 788 CG GLU A 52 8.354 8.557 -2.050 1.00 0.00 C ATOM 789 CD GLU A 52 9.006 8.683 -3.427 1.00 0.00 C ATOM 790 OE1 GLU A 52 9.995 9.441 -3.538 1.00 0.00 O ATOM 791 OE2 GLU A 52 8.496 8.016 -4.352 1.00 0.00 O ATOM 0 H GLU A 52 8.438 10.999 0.573 1.00 0.00 H new ATOM 0 HA GLU A 52 7.618 8.416 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.202 10.300 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.201 8.866 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.220 7.502 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.361 9.005 -2.082 1.00 0.00 H new ATOM 798 N GLY A 53 10.636 8.542 1.684 1.00 0.00 N ATOM 799 CA GLY A 53 11.630 7.867 2.488 1.00 0.00 C ATOM 800 C GLY A 53 11.026 7.210 3.728 1.00 0.00 C ATOM 801 O GLY A 53 11.333 6.054 4.022 1.00 0.00 O ATOM 0 H GLY A 53 10.891 9.507 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.128 7.109 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.393 8.583 2.794 1.00 0.00 H new ATOM 805 N GLN A 54 10.158 7.934 4.451 1.00 0.00 N ATOM 806 CA GLN A 54 9.466 7.373 5.598 1.00 0.00 C ATOM 807 C GLN A 54 8.497 6.283 5.162 1.00 0.00 C ATOM 808 O GLN A 54 8.529 5.192 5.723 1.00 0.00 O ATOM 809 CB GLN A 54 8.727 8.433 6.420 1.00 0.00 C ATOM 810 CG GLN A 54 9.653 9.120 7.431 1.00 0.00 C ATOM 811 CD GLN A 54 8.865 9.732 8.589 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.907 10.938 8.808 1.00 0.00 O ATOM 813 NE2 GLN A 54 8.154 8.891 9.347 1.00 0.00 N ATOM 0 H GLN A 54 9.926 8.907 4.254 1.00 0.00 H new ATOM 0 HA GLN A 54 10.232 6.941 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.302 9.181 5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.894 7.968 6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.369 8.396 7.820 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.227 9.899 6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.145 7.894 9.132 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.621 9.246 10.141 1.00 0.00 H new ATOM 822 N VAL A 55 7.636 6.569 4.178 1.00 0.00 N ATOM 823 CA VAL A 55 6.670 5.602 3.673 1.00 0.00 C ATOM 824 C VAL A 55 7.355 4.277 3.308 1.00 0.00 C ATOM 825 O VAL A 55 6.779 3.209 3.510 1.00 0.00 O ATOM 826 CB VAL A 55 5.909 6.208 2.480 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.902 5.199 1.919 1.00 0.00 C ATOM 828 CG2 VAL A 55 5.142 7.468 2.901 1.00 0.00 C ATOM 0 H VAL A 55 7.594 7.477 3.714 1.00 0.00 H new ATOM 0 HA VAL A 55 5.947 5.373 4.456 1.00 0.00 H new ATOM 0 HB VAL A 55 6.647 6.465 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.373 5.644 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.430 4.305 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.186 4.929 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.613 7.877 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.424 7.213 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.843 8.211 3.282 1.00 0.00 H new ATOM 838 N GLU A 56 8.601 4.348 2.818 1.00 0.00 N ATOM 839 CA GLU A 56 9.394 3.188 2.448 1.00 0.00 C ATOM 840 C GLU A 56 9.595 2.200 3.604 1.00 0.00 C ATOM 841 O GLU A 56 9.677 0.998 3.358 1.00 0.00 O ATOM 842 CB GLU A 56 10.734 3.609 1.827 1.00 0.00 C ATOM 843 CG GLU A 56 10.955 2.855 0.510 1.00 0.00 C ATOM 844 CD GLU A 56 12.392 2.979 0.016 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.883 4.118 -0.052 1.00 0.00 O ATOM 846 OE2 GLU A 56 12.974 1.906 -0.287 1.00 0.00 O ATOM 0 H GLU A 56 9.086 5.233 2.669 1.00 0.00 H new ATOM 0 HA GLU A 56 8.821 2.652 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.740 4.684 1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.549 3.397 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.709 1.802 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.276 3.244 -0.249 1.00 0.00 H new ATOM 853 N LYS A 57 9.650 2.687 4.852 1.00 0.00 N ATOM 854 CA LYS A 57 9.795 1.855 6.044 1.00 0.00 C ATOM 855 C LYS A 57 8.705 0.778 6.091 1.00 0.00 C ATOM 856 O LYS A 57 9.026 -0.384 6.335 1.00 0.00 O ATOM 857 CB LYS A 57 9.818 2.723 7.315 1.00 0.00 C ATOM 858 CG LYS A 57 11.121 3.544 7.372 1.00 0.00 C ATOM 859 CD LYS A 57 10.993 4.943 7.996 1.00 0.00 C ATOM 860 CE LYS A 57 11.225 5.027 9.506 1.00 0.00 C ATOM 861 NZ LYS A 57 11.561 6.410 9.900 1.00 0.00 N ATOM 0 H LYS A 57 9.594 3.684 5.059 1.00 0.00 H new ATOM 0 HA LYS A 57 10.752 1.336 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.957 3.392 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.739 2.090 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.862 2.979 7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.508 3.651 6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.703 5.606 7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.996 5.326 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.331 4.698 10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.032 4.354 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.715 6.450 10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.426 6.711 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.778 7.044 9.642 1.00 0.00 H new ATOM 875 N LEU A 58 7.441 1.134 5.813 1.00 0.00 N ATOM 876 CA LEU A 58 6.372 0.144 5.735 1.00 0.00 C ATOM 877 C LEU A 58 6.400 -0.631 4.417 1.00 0.00 C ATOM 878 O LEU A 58 6.017 -1.797 4.390 1.00 0.00 O ATOM 879 CB LEU A 58 4.992 0.757 6.023 1.00 0.00 C ATOM 880 CG LEU A 58 4.198 1.290 4.818 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.177 0.252 4.325 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.439 2.559 5.201 1.00 0.00 C ATOM 0 H LEU A 58 7.142 2.094 5.641 1.00 0.00 H new ATOM 0 HA LEU A 58 6.559 -0.582 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.384 0.002 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.126 1.576 6.729 1.00 0.00 H new ATOM 0 HG LEU A 58 4.915 1.502 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.630 0.656 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.698 -0.657 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.477 0.020 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.882 2.924 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.746 2.338 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.146 3.322 5.526 1.00 0.00 H new ATOM 894 N MET A 59 6.832 0.006 3.317 1.00 0.00 N ATOM 895 CA MET A 59 6.807 -0.620 2.003 1.00 0.00 C ATOM 896 C MET A 59 7.786 -1.783 1.910 1.00 0.00 C ATOM 897 O MET A 59 7.549 -2.694 1.123 1.00 0.00 O ATOM 898 CB MET A 59 7.044 0.388 0.876 1.00 0.00 C ATOM 899 CG MET A 59 5.995 1.506 0.870 1.00 0.00 C ATOM 900 SD MET A 59 4.803 1.422 -0.494 1.00 0.00 S ATOM 901 CE MET A 59 3.322 2.075 0.326 1.00 0.00 C ATOM 0 H MET A 59 7.202 0.956 3.321 1.00 0.00 H new ATOM 0 HA MET A 59 5.802 -1.021 1.873 1.00 0.00 H new ATOM 0 HB2 MET A 59 8.037 0.824 0.984 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.026 -0.130 -0.083 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.449 1.478 1.813 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.508 2.467 0.827 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.458 1.942 -0.325 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.158 1.540 1.261 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.460 3.136 0.535 1.00 0.00 H new ATOM 911 N GLN A 60 8.849 -1.788 2.726 1.00 0.00 N ATOM 912 CA GLN A 60 9.733 -2.932 2.873 1.00 0.00 C ATOM 913 C GLN A 60 8.902 -4.224 2.945 1.00 0.00 C ATOM 914 O GLN A 60 9.158 -5.162 2.199 1.00 0.00 O ATOM 915 CB GLN A 60 10.628 -2.724 4.102 1.00 0.00 C ATOM 916 CG GLN A 60 11.587 -1.534 3.890 1.00 0.00 C ATOM 917 CD GLN A 60 13.047 -1.969 3.809 1.00 0.00 C ATOM 918 OE1 GLN A 60 13.828 -1.713 4.722 1.00 0.00 O ATOM 919 NE2 GLN A 60 13.424 -2.625 2.709 1.00 0.00 N ATOM 0 H GLN A 60 9.114 -0.989 3.302 1.00 0.00 H new ATOM 0 HA GLN A 60 10.389 -3.028 2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.009 -2.545 4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.203 -3.630 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.315 -1.011 2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.467 -0.824 4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.745 -2.819 1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.391 -2.933 2.605 1.00 0.00 H new ATOM 928 N TRP A 61 7.877 -4.250 3.805 1.00 0.00 N ATOM 929 CA TRP A 61 7.008 -5.402 3.953 1.00 0.00 C ATOM 930 C TRP A 61 6.196 -5.718 2.668 1.00 0.00 C ATOM 931 O TRP A 61 6.041 -6.890 2.326 1.00 0.00 O ATOM 932 CB TRP A 61 6.112 -5.195 5.170 1.00 0.00 C ATOM 933 CG TRP A 61 4.871 -6.010 5.144 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.757 -7.336 5.393 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.570 -5.566 4.720 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.465 -7.742 5.126 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.689 -6.679 4.692 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.053 -4.311 4.322 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.359 -6.564 4.297 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.699 -4.173 3.976 1.00 0.00 C ATOM 941 CH2 TRP A 61 0.849 -5.294 3.960 1.00 0.00 C ATOM 0 H TRP A 61 7.635 -3.468 4.414 1.00 0.00 H new ATOM 0 HA TRP A 61 7.629 -6.284 4.113 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.676 -5.437 6.071 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.842 -4.141 5.236 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.552 -7.976 5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.126 -8.698 5.234 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.705 -3.451 4.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.726 -7.437 4.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.307 -3.199 3.720 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.191 -5.182 3.690 1.00 0.00 H new ATOM 952 N LEU A 62 5.655 -4.698 1.978 1.00 0.00 N ATOM 953 CA LEU A 62 4.873 -4.872 0.744 1.00 0.00 C ATOM 954 C LEU A 62 5.656 -5.697 -0.277 1.00 0.00 C ATOM 955 O LEU A 62 5.148 -6.704 -0.767 1.00 0.00 O ATOM 956 CB LEU A 62 4.454 -3.517 0.129 1.00 0.00 C ATOM 957 CG LEU A 62 3.095 -2.999 0.632 1.00 0.00 C ATOM 958 CD1 LEU A 62 3.052 -1.469 0.646 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.957 -3.478 -0.278 1.00 0.00 C ATOM 0 H LEU A 62 5.750 -3.724 2.264 1.00 0.00 H new ATOM 0 HA LEU A 62 3.962 -5.408 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.220 -2.775 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.415 -3.618 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 62 2.970 -3.388 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.079 -1.136 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.833 -1.089 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.214 -1.091 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.007 -3.099 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.120 -3.108 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.934 -4.568 -0.289 1.00 0.00 H new ATOM 971 N LYS A 63 6.895 -5.287 -0.577 1.00 0.00 N ATOM 972 CA LYS A 63 7.760 -6.031 -1.486 1.00 0.00 C ATOM 973 C LYS A 63 8.128 -7.410 -0.923 1.00 0.00 C ATOM 974 O LYS A 63 8.364 -8.330 -1.704 1.00 0.00 O ATOM 975 CB LYS A 63 9.025 -5.231 -1.829 1.00 0.00 C ATOM 976 CG LYS A 63 8.753 -4.032 -2.757 1.00 0.00 C ATOM 977 CD LYS A 63 8.788 -2.686 -2.024 1.00 0.00 C ATOM 978 CE LYS A 63 10.202 -2.264 -1.595 1.00 0.00 C ATOM 979 NZ LYS A 63 10.904 -1.527 -2.662 1.00 0.00 N ATOM 0 H LYS A 63 7.318 -4.439 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 63 7.196 -6.189 -2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.481 -4.872 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.748 -5.894 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.494 -4.023 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.778 -4.158 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.367 -1.917 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.150 -2.744 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.140 -1.640 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.779 -3.149 -1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.854 -1.260 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.986 -2.131 -3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.367 -0.669 -2.902 1.00 0.00 H new ATOM 993 N SER A 64 8.168 -7.572 0.408 1.00 0.00 N ATOM 994 CA SER A 64 8.477 -8.852 1.033 1.00 0.00 C ATOM 995 C SER A 64 7.437 -9.919 0.674 1.00 0.00 C ATOM 996 O SER A 64 7.779 -11.099 0.603 1.00 0.00 O ATOM 997 CB SER A 64 8.601 -8.700 2.556 1.00 0.00 C ATOM 998 OG SER A 64 9.381 -9.752 3.084 1.00 0.00 O ATOM 0 H SER A 64 7.987 -6.819 1.072 1.00 0.00 H new ATOM 0 HA SER A 64 9.438 -9.186 0.643 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.058 -7.740 2.798 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.611 -8.706 3.012 1.00 0.00 H new ATOM 0 HG SER A 64 9.457 -9.647 4.055 1.00 0.00 H new ATOM 1004 N GLY A 65 6.173 -9.519 0.462 1.00 0.00 N ATOM 1005 CA GLY A 65 5.103 -10.435 0.081 1.00 0.00 C ATOM 1006 C GLY A 65 4.621 -11.313 1.242 1.00 0.00 C ATOM 1007 O GLY A 65 3.823 -12.224 1.023 1.00 0.00 O ATOM 0 H GLY A 65 5.871 -8.549 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.261 -9.860 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.452 -11.075 -0.730 1.00 0.00 H new ATOM 1011 N GLY A 66 5.115 -11.062 2.464 1.00 0.00 N ATOM 1012 CA GLY A 66 4.903 -11.919 3.622 1.00 0.00 C ATOM 1013 C GLY A 66 5.639 -13.264 3.489 1.00 0.00 C ATOM 1014 O GLY A 66 6.037 -13.651 2.390 1.00 0.00 O ATOM 0 H GLY A 66 5.683 -10.240 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.246 -11.406 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.836 -12.101 3.747 1.00 0.00 H new ATOM 1018 N PRO A 67 5.831 -13.992 4.601 1.00 0.00 N ATOM 1019 CA PRO A 67 6.515 -15.277 4.617 1.00 0.00 C ATOM 1020 C PRO A 67 5.592 -16.388 4.101 1.00 0.00 C ATOM 1021 O PRO A 67 4.973 -17.097 4.893 1.00 0.00 O ATOM 1022 CB PRO A 67 6.919 -15.486 6.081 1.00 0.00 C ATOM 1023 CG PRO A 67 5.803 -14.776 6.848 1.00 0.00 C ATOM 1024 CD PRO A 67 5.496 -13.575 5.953 1.00 0.00 C ATOM 0 HA PRO A 67 7.386 -15.301 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.976 -16.544 6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.896 -15.053 6.296 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.931 -15.416 6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.127 -14.468 7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.446 -13.291 6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.082 -12.706 6.251 1.00 0.00 H new ATOM 1032 N ARG A 68 5.518 -16.549 2.772 1.00 0.00 N ATOM 1033 CA ARG A 68 4.741 -17.586 2.101 1.00 0.00 C ATOM 1034 C ARG A 68 3.247 -17.382 2.361 1.00 0.00 C ATOM 1035 O ARG A 68 2.663 -18.003 3.247 1.00 0.00 O ATOM 1036 CB ARG A 68 5.231 -19.002 2.476 1.00 0.00 C ATOM 1037 CG ARG A 68 6.062 -19.629 1.351 1.00 0.00 C ATOM 1038 CD ARG A 68 6.519 -21.033 1.764 1.00 0.00 C ATOM 1039 NE ARG A 68 6.753 -21.892 0.596 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.052 -23.200 0.667 1.00 0.00 C ATOM 1041 NH1 ARG A 68 7.309 -23.777 1.850 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.086 -23.936 -0.452 1.00 0.00 N ATOM 0 H ARG A 68 6.014 -15.940 2.121 1.00 0.00 H new ATOM 0 HA ARG A 68 4.897 -17.496 1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.829 -18.951 3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.373 -19.639 2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.471 -19.683 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.928 -19.004 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.434 -20.960 2.352 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.764 -21.488 2.405 1.00 0.00 H new ATOM 0 HE ARG A 68 6.684 -21.468 -0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.278 -23.222 2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.535 -24.771 1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.885 -23.503 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.313 -24.929 -0.402 1.00 0.00 H new ATOM 1056 N SER A 69 2.633 -16.500 1.566 1.00 0.00 N ATOM 1057 CA SER A 69 1.213 -16.188 1.665 1.00 0.00 C ATOM 1058 C SER A 69 0.653 -15.720 0.323 1.00 0.00 C ATOM 1059 O SER A 69 -0.406 -16.180 -0.101 1.00 0.00 O ATOM 1060 CB SER A 69 0.975 -15.147 2.768 1.00 0.00 C ATOM 1061 OG SER A 69 -0.021 -15.593 3.665 1.00 0.00 O ATOM 0 H SER A 69 3.115 -15.981 0.832 1.00 0.00 H new ATOM 0 HA SER A 69 0.678 -17.099 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.903 -14.963 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.673 -14.199 2.322 1.00 0.00 H new ATOM 0 HG SER A 69 -0.159 -14.918 4.362 1.00 0.00 H new ATOM 1067 N ALA A 70 1.362 -14.786 -0.316 1.00 0.00 N ATOM 1068 CA ALA A 70 0.956 -14.101 -1.531 1.00 0.00 C ATOM 1069 C ALA A 70 2.010 -14.294 -2.618 1.00 0.00 C ATOM 1070 O ALA A 70 3.190 -14.465 -2.312 1.00 0.00 O ATOM 1071 CB ALA A 70 0.766 -12.618 -1.212 1.00 0.00 C ATOM 0 H ALA A 70 2.274 -14.478 0.020 1.00 0.00 H new ATOM 0 HA ALA A 70 0.017 -14.514 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.461 -12.088 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.003 -12.506 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.705 -12.201 -0.846 1.00 0.00 H new ATOM 1077 N ARG A 71 1.577 -14.262 -3.886 1.00 0.00 N ATOM 1078 CA ARG A 71 2.446 -14.399 -5.045 1.00 0.00 C ATOM 1079 C ARG A 71 2.422 -13.083 -5.821 1.00 0.00 C ATOM 1080 O ARG A 71 1.666 -12.947 -6.779 1.00 0.00 O ATOM 1081 CB ARG A 71 1.980 -15.587 -5.901 1.00 0.00 C ATOM 1082 CG ARG A 71 3.044 -15.923 -6.957 1.00 0.00 C ATOM 1083 CD ARG A 71 2.508 -16.827 -8.074 1.00 0.00 C ATOM 1084 NE ARG A 71 3.246 -16.588 -9.323 1.00 0.00 N ATOM 1085 CZ ARG A 71 2.870 -17.011 -10.541 1.00 0.00 C ATOM 1086 NH1 ARG A 71 1.847 -17.865 -10.685 1.00 0.00 N ATOM 1087 NH2 ARG A 71 3.523 -16.570 -11.625 1.00 0.00 N ATOM 0 H ARG A 71 0.595 -14.138 -4.131 1.00 0.00 H new ATOM 0 HA ARG A 71 3.473 -14.603 -4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.799 -16.454 -5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.035 -15.346 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.421 -14.998 -7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.888 -16.414 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.603 -17.873 -7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.446 -16.635 -8.229 1.00 0.00 H new ATOM 0 HE ARG A 71 4.115 -16.057 -9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.344 -18.201 -9.864 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.572 -18.178 -11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.300 -15.917 -11.522 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.243 -16.887 -12.553 1.00 0.00 H new ATOM 1101 N VAL A 72 3.251 -12.119 -5.405 1.00 0.00 N ATOM 1102 CA VAL A 72 3.368 -10.821 -6.056 1.00 0.00 C ATOM 1103 C VAL A 72 4.028 -11.012 -7.424 1.00 0.00 C ATOM 1104 O VAL A 72 5.241 -11.192 -7.505 1.00 0.00 O ATOM 1105 CB VAL A 72 4.163 -9.849 -5.163 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.338 -8.485 -5.848 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.449 -9.640 -3.821 1.00 0.00 C ATOM 0 H VAL A 72 3.864 -12.225 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 72 2.381 -10.383 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 72 5.144 -10.294 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.903 -7.820 -5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.877 -8.616 -6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.359 -8.051 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.026 -8.951 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.457 -9.225 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.356 -10.596 -3.306 1.00 0.00 H new ATOM 1117 N GLU A 73 3.224 -10.980 -8.493 1.00 0.00 N ATOM 1118 CA GLU A 73 3.715 -11.150 -9.853 1.00 0.00 C ATOM 1119 C GLU A 73 4.596 -9.971 -10.269 1.00 0.00 C ATOM 1120 O GLU A 73 5.742 -10.179 -10.668 1.00 0.00 O ATOM 1121 CB GLU A 73 2.552 -11.386 -10.832 1.00 0.00 C ATOM 1122 CG GLU A 73 2.884 -12.491 -11.841 1.00 0.00 C ATOM 1123 CD GLU A 73 1.689 -12.778 -12.744 1.00 0.00 C ATOM 1124 OE1 GLU A 73 1.507 -12.006 -13.709 1.00 0.00 O ATOM 1125 OE2 GLU A 73 0.977 -13.762 -12.443 1.00 0.00 O ATOM 0 H GLU A 73 2.216 -10.835 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 73 4.342 -12.041 -9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.655 -11.658 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.329 -10.461 -11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.739 -12.191 -12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.171 -13.399 -11.311 1.00 0.00 H new ATOM 1132 N ARG A 74 4.067 -8.741 -10.174 1.00 0.00 N ATOM 1133 CA ARG A 74 4.788 -7.544 -10.591 1.00 0.00 C ATOM 1134 C ARG A 74 4.105 -6.273 -10.079 1.00 0.00 C ATOM 1135 O ARG A 74 3.151 -5.800 -10.690 1.00 0.00 O ATOM 1136 CB ARG A 74 4.906 -7.521 -12.123 1.00 0.00 C ATOM 1137 CG ARG A 74 5.945 -6.486 -12.577 1.00 0.00 C ATOM 1138 CD ARG A 74 6.744 -7.025 -13.765 1.00 0.00 C ATOM 1139 NE ARG A 74 7.518 -8.212 -13.370 1.00 0.00 N ATOM 1140 CZ ARG A 74 7.942 -9.182 -14.197 1.00 0.00 C ATOM 1141 NH1 ARG A 74 7.801 -9.059 -15.526 1.00 0.00 N ATOM 1142 NH2 ARG A 74 8.505 -10.284 -13.687 1.00 0.00 N ATOM 0 H ARG A 74 3.133 -8.556 -9.808 1.00 0.00 H new ATOM 0 HA ARG A 74 5.787 -7.572 -10.156 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.189 -8.509 -12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.937 -7.286 -12.563 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.446 -5.558 -12.856 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.619 -6.251 -11.753 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.067 -7.280 -14.580 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.417 -6.253 -14.139 1.00 0.00 H new ATOM 0 HE ARG A 74 7.753 -8.307 -12.382 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.368 -8.223 -15.918 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.127 -9.802 -16.144 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.609 -10.383 -12.677 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.830 -11.025 -14.308 1.00 0.00 H new ATOM 1156 N VAL A 75 4.607 -5.706 -8.977 1.00 0.00 N ATOM 1157 CA VAL A 75 4.064 -4.488 -8.385 1.00 0.00 C ATOM 1158 C VAL A 75 4.637 -3.230 -9.060 1.00 0.00 C ATOM 1159 O VAL A 75 5.855 -3.075 -9.133 1.00 0.00 O ATOM 1160 CB VAL A 75 4.246 -4.509 -6.854 1.00 0.00 C ATOM 1161 CG1 VAL A 75 5.687 -4.727 -6.370 1.00 0.00 C ATOM 1162 CG2 VAL A 75 3.695 -3.228 -6.217 1.00 0.00 C ATOM 0 H VAL A 75 5.407 -6.085 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 75 2.990 -4.450 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 75 3.678 -5.381 -6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.709 -4.725 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.054 -5.685 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.323 -3.926 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.836 -3.269 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.225 -2.365 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.632 -3.138 -6.441 1.00 0.00 H new ATOM 1172 N LEU A 76 3.756 -2.340 -9.550 1.00 0.00 N ATOM 1173 CA LEU A 76 4.095 -1.093 -10.241 1.00 0.00 C ATOM 1174 C LEU A 76 3.801 0.132 -9.369 1.00 0.00 C ATOM 1175 O LEU A 76 2.746 0.191 -8.743 1.00 0.00 O ATOM 1176 CB LEU A 76 3.273 -0.968 -11.539 1.00 0.00 C ATOM 1177 CG LEU A 76 4.167 -0.855 -12.782 1.00 0.00 C ATOM 1178 CD1 LEU A 76 4.806 -2.208 -13.117 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.334 -0.357 -13.968 1.00 0.00 C ATOM 0 H LEU A 76 2.749 -2.480 -9.470 1.00 0.00 H new ATOM 0 HA LEU A 76 5.162 -1.126 -10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.622 -1.836 -11.640 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.628 -0.091 -11.476 1.00 0.00 H new ATOM 0 HG LEU A 76 4.967 -0.143 -12.576 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.435 -2.104 -14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.414 -2.541 -12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.024 -2.941 -13.312 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.969 -0.277 -14.850 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.525 -1.061 -14.166 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.915 0.621 -13.733 1.00 0.00 H new ATOM 1191 N SER A 77 4.713 1.116 -9.369 1.00 0.00 N ATOM 1192 CA SER A 77 4.639 2.334 -8.560 1.00 0.00 C ATOM 1193 C SER A 77 4.662 3.610 -9.418 1.00 0.00 C ATOM 1194 O SER A 77 5.451 3.693 -10.359 1.00 0.00 O ATOM 1195 CB SER A 77 5.805 2.347 -7.558 1.00 0.00 C ATOM 1196 OG SER A 77 6.834 1.440 -7.913 1.00 0.00 O ATOM 0 H SER A 77 5.549 1.081 -9.953 1.00 0.00 H new ATOM 0 HA SER A 77 3.687 2.327 -8.030 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.217 3.354 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.430 2.096 -6.566 1.00 0.00 H new ATOM 0 HG SER A 77 7.553 1.485 -7.249 1.00 0.00 H new ATOM 1202 N GLU A 78 3.829 4.606 -9.070 1.00 0.00 N ATOM 1203 CA GLU A 78 3.678 5.872 -9.802 1.00 0.00 C ATOM 1204 C GLU A 78 3.434 7.051 -8.841 1.00 0.00 C ATOM 1205 O GLU A 78 2.983 6.831 -7.716 1.00 0.00 O ATOM 1206 CB GLU A 78 2.513 5.751 -10.804 1.00 0.00 C ATOM 1207 CG GLU A 78 2.978 5.214 -12.168 1.00 0.00 C ATOM 1208 CD GLU A 78 1.839 5.107 -13.182 1.00 0.00 C ATOM 1209 OE1 GLU A 78 1.023 6.052 -13.234 1.00 0.00 O ATOM 1210 OE2 GLU A 78 1.807 4.077 -13.890 1.00 0.00 O ATOM 0 H GLU A 78 3.226 4.549 -8.249 1.00 0.00 H new ATOM 0 HA GLU A 78 4.605 6.071 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.750 5.088 -10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.048 6.728 -10.939 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.753 5.869 -12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.430 4.232 -12.032 1.00 0.00 H new ATOM 1217 N PRO A 79 3.701 8.302 -9.268 1.00 0.00 N ATOM 1218 CA PRO A 79 3.516 9.501 -8.455 1.00 0.00 C ATOM 1219 C PRO A 79 2.032 9.849 -8.283 1.00 0.00 C ATOM 1220 O PRO A 79 1.265 9.774 -9.241 1.00 0.00 O ATOM 1221 CB PRO A 79 4.262 10.615 -9.196 1.00 0.00 C ATOM 1222 CG PRO A 79 4.183 10.179 -10.657 1.00 0.00 C ATOM 1223 CD PRO A 79 4.279 8.656 -10.559 1.00 0.00 C ATOM 0 HA PRO A 79 3.901 9.356 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.792 11.586 -9.040 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.294 10.702 -8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.251 10.497 -11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.996 10.599 -11.249 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.737 8.177 -11.374 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.315 8.325 -10.627 1.00 0.00 H new ATOM 1231 N HIS A 80 1.636 10.228 -7.057 1.00 0.00 N ATOM 1232 CA HIS A 80 0.252 10.497 -6.681 1.00 0.00 C ATOM 1233 C HIS A 80 0.117 11.869 -6.009 1.00 0.00 C ATOM 1234 O HIS A 80 0.792 12.135 -5.019 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.214 9.392 -5.720 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.685 9.094 -5.819 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.276 8.635 -6.985 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.662 9.207 -4.865 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -3.579 8.474 -6.706 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -3.856 8.807 -5.434 1.00 0.00 N ATOM 0 H HIS A 80 2.291 10.357 -6.286 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.368 10.507 -7.577 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.348 8.481 -5.926 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.021 9.687 -4.697 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.524 9.548 -3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.313 8.121 -7.415 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.768 8.772 -4.978 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.750 12.748 -6.526 1.00 0.00 N ATOM 1250 CA HIS A 81 -0.927 14.084 -5.959 1.00 0.00 C ATOM 1251 C HIS A 81 -2.409 14.391 -5.698 1.00 0.00 C ATOM 1252 O HIS A 81 -2.984 15.223 -6.398 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.278 15.083 -6.928 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.157 16.496 -6.408 1.00 0.00 C ATOM 1255 ND1 HIS A 81 0.021 16.805 -5.068 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.131 17.672 -7.114 1.00 0.00 C ATOM 1257 CE1 HIS A 81 0.148 18.140 -5.000 1.00 0.00 C ATOM 1258 NE2 HIS A 81 0.064 18.702 -6.216 1.00 0.00 N ATOM 0 H HIS A 81 -1.339 12.555 -7.336 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.444 14.157 -4.985 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.717 14.721 -7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.859 15.101 -7.850 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.243 17.774 -8.183 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.299 18.691 -4.084 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.131 19.696 -6.434 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.052 13.741 -4.710 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.473 13.910 -4.448 1.00 0.00 C ATOM 1269 C PRO A 82 -4.750 15.282 -3.826 1.00 0.00 C ATOM 1270 O PRO A 82 -3.958 15.777 -3.026 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.855 12.767 -3.504 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.557 12.489 -2.749 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.478 12.765 -3.800 1.00 0.00 C ATOM 0 HA PRO A 82 -5.066 13.874 -5.362 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.660 13.055 -2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.198 11.889 -4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.449 13.138 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.513 11.462 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.570 13.150 -3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.204 11.852 -4.328 1.00 0.00 H new ATOM 1281 N SER A 83 -5.876 15.893 -4.212 1.00 0.00 N ATOM 1282 CA SER A 83 -6.294 17.201 -3.729 1.00 0.00 C ATOM 1283 C SER A 83 -6.629 17.147 -2.238 1.00 0.00 C ATOM 1284 O SER A 83 -7.225 16.179 -1.766 1.00 0.00 O ATOM 1285 CB SER A 83 -7.503 17.683 -4.538 1.00 0.00 C ATOM 1286 OG SER A 83 -7.170 17.755 -5.910 1.00 0.00 O ATOM 0 H SER A 83 -6.528 15.481 -4.879 1.00 0.00 H new ATOM 0 HA SER A 83 -5.473 17.906 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.342 17.002 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.823 18.662 -4.181 1.00 0.00 H new ATOM 0 HG SER A 83 -7.949 18.062 -6.420 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.236 18.194 -1.503 1.00 0.00 N ATOM 1293 CA GLY A 84 -6.405 18.278 -0.062 1.00 0.00 C ATOM 1294 C GLY A 84 -5.435 17.352 0.672 1.00 0.00 C ATOM 1295 O GLY A 84 -4.615 16.673 0.054 1.00 0.00 O ATOM 0 H GLY A 84 -5.785 19.015 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.246 19.306 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.430 18.015 0.201 1.00 0.00 H new ATOM 1299 N GLU A 85 -5.550 17.332 2.004 1.00 0.00 N ATOM 1300 CA GLU A 85 -4.833 16.412 2.872 1.00 0.00 C ATOM 1301 C GLU A 85 -5.824 15.392 3.423 1.00 0.00 C ATOM 1302 O GLU A 85 -6.898 15.748 3.905 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.109 17.173 3.989 1.00 0.00 C ATOM 1304 CG GLU A 85 -2.893 17.904 3.401 1.00 0.00 C ATOM 1305 CD GLU A 85 -2.082 18.681 4.434 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -2.233 18.387 5.639 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -1.300 19.547 3.981 1.00 0.00 O ATOM 0 H GLU A 85 -6.160 17.972 2.513 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.064 15.884 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.787 17.888 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.790 16.481 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.243 17.176 2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.234 18.593 2.628 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.446 14.116 3.327 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.212 12.982 3.817 1.00 0.00 C ATOM 1316 C LEU A 86 -6.209 12.991 5.350 1.00 0.00 C ATOM 1317 O LEU A 86 -5.263 13.483 5.965 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.574 11.695 3.263 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.482 10.833 2.376 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -7.008 11.582 1.144 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.670 9.631 1.893 1.00 0.00 C ATOM 0 H LEU A 86 -4.567 13.840 2.890 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.248 13.037 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.689 11.968 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.235 11.088 4.103 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.345 10.541 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.643 10.918 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.587 12.448 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.168 11.913 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.294 9.001 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.809 9.979 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.327 9.054 2.752 1.00 0.00 H new ATOM 1333 N THR A 87 -7.262 12.440 5.962 1.00 0.00 N ATOM 1334 CA THR A 87 -7.391 12.335 7.407 1.00 0.00 C ATOM 1335 C THR A 87 -6.505 11.195 7.902 1.00 0.00 C ATOM 1336 O THR A 87 -5.424 11.441 8.434 1.00 0.00 O ATOM 1337 CB THR A 87 -8.872 12.143 7.798 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.623 11.627 6.711 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.479 13.470 8.259 1.00 0.00 C ATOM 0 H THR A 87 -8.057 12.051 5.454 1.00 0.00 H new ATOM 0 HA THR A 87 -7.057 13.255 7.886 1.00 0.00 H new ATOM 0 HB THR A 87 -8.910 11.426 8.618 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.557 11.513 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.523 13.317 8.531 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.929 13.841 9.124 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.417 14.199 7.451 1.00 0.00 H new ATOM 1347 N ASP A 88 -6.976 9.956 7.727 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.358 8.758 8.279 1.00 0.00 C ATOM 1349 C ASP A 88 -6.368 7.643 7.237 1.00 0.00 C ATOM 1350 O ASP A 88 -7.150 7.680 6.286 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.124 8.316 9.535 1.00 0.00 C ATOM 1352 CG ASP A 88 -7.142 9.400 10.609 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -6.073 9.613 11.221 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.224 9.999 10.794 1.00 0.00 O ATOM 0 H ASP A 88 -7.817 9.760 7.184 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.325 8.976 8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.148 8.059 9.263 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.666 7.413 9.939 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.512 6.636 7.438 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.493 5.439 6.613 1.00 0.00 C ATOM 1361 C PHE A 89 -6.755 4.608 6.865 1.00 0.00 C ATOM 1362 O PHE A 89 -7.273 4.597 7.981 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.215 4.638 6.886 1.00 0.00 C ATOM 1364 CG PHE A 89 -4.141 3.299 6.176 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -4.706 2.158 6.777 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.573 3.205 4.891 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -4.750 0.944 6.074 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.581 1.977 4.206 1.00 0.00 C ATOM 1369 CZ PHE A 89 -4.190 0.853 4.790 1.00 0.00 C ATOM 0 H PHE A 89 -4.814 6.635 8.181 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.489 5.719 5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.356 5.239 6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.131 4.470 7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.105 2.217 7.779 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.131 4.077 4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.215 0.078 6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.120 1.898 3.233 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.227 -0.082 4.250 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.241 3.906 5.832 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.393 3.018 5.949 1.00 0.00 C ATOM 1381 C ARG A 90 -8.308 1.892 4.920 1.00 0.00 C ATOM 1382 O ARG A 90 -7.272 1.694 4.292 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.697 3.826 5.830 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.926 4.364 4.408 1.00 0.00 C ATOM 1385 CD ARG A 90 -11.113 5.327 4.367 1.00 0.00 C ATOM 1386 NE ARG A 90 -10.816 6.557 5.114 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.563 7.672 5.096 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.691 7.729 4.374 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.171 8.737 5.809 1.00 0.00 N ATOM 0 H ARG A 90 -6.842 3.942 4.894 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.390 2.549 6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.539 3.196 6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.669 4.660 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.028 4.874 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.105 3.533 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.351 5.574 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.994 4.843 4.790 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.976 6.564 5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.990 6.919 3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.250 8.582 4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.312 8.695 6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.731 9.589 5.802 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.409 1.155 4.742 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.515 0.085 3.768 1.00 0.00 C ATOM 1405 C ILE A 91 -10.991 -0.204 3.486 1.00 0.00 C ATOM 1406 O ILE A 91 -11.855 0.079 4.315 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.745 -1.157 4.258 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -8.865 -2.289 3.228 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -9.216 -1.621 5.646 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -7.751 -3.314 3.375 1.00 0.00 C ATOM 0 H ILE A 91 -10.262 1.295 5.284 1.00 0.00 H new ATOM 0 HA ILE A 91 -9.056 0.386 2.826 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.696 -0.880 4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.830 -2.783 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.840 -1.868 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.645 -2.499 5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.062 -0.820 6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.275 -1.874 5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.875 -4.096 2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.787 -2.826 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.791 -3.755 4.371 1.00 0.00 H new ATOM 1422 N ARG A 92 -11.259 -0.757 2.297 1.00 0.00 N ATOM 1423 CA ARG A 92 -12.575 -1.233 1.877 1.00 0.00 C ATOM 1424 C ARG A 92 -13.103 -2.384 2.743 1.00 0.00 C ATOM 1425 O ARG A 92 -14.316 -2.664 2.615 1.00 0.00 O ATOM 1426 CB ARG A 92 -12.533 -1.665 0.406 1.00 0.00 C ATOM 1427 CG ARG A 92 -11.464 -2.737 0.137 1.00 0.00 C ATOM 1428 CD ARG A 92 -11.655 -3.413 -1.227 1.00 0.00 C ATOM 1429 NE ARG A 92 -12.698 -4.445 -1.170 1.00 0.00 N ATOM 1430 CZ ARG A 92 -13.141 -5.151 -2.224 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -12.719 -4.873 -3.467 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -14.012 -6.149 -2.029 1.00 0.00 N ATOM 1433 OXT ARG A 92 -12.300 -2.993 3.480 1.00 0.00 O ATOM 0 H ARG A 92 -10.543 -0.888 1.583 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.265 -0.399 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.510 -2.050 0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.335 -0.794 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.475 -2.281 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.501 -3.491 0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.922 -2.664 -1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.715 -3.861 -1.548 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.118 -4.641 -0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.053 -4.117 -3.622 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.065 -5.418 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.334 -6.368 -1.086 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.354 -6.690 -2.823 1.00 0.00 H new TER 1447 ARG A 92