USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 594 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+ -170:sc= -0.0838 (180deg=-0.23) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -83:sc= 1.02 USER MOD Single : A 11 THR OG1 : rot 80:sc= 0.709 USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= -0.0494 (180deg=-0.489) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -84:sc= 0.586 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc=-0.00302 (180deg=-0.15) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -4.78! (180deg=-6.49!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 80:sc= -0.244 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.476 F(o=-1,f=-0.48) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.623 F(o=-3!,f=-0.62) USER MOD Single : A 44 SER OG : rot -37:sc= 0.0343 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 150:sc= -2.42! USER MOD Single : A 55 SER OG : rot 84:sc= -2.34! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -140:sc= -1.6! USER MOD Single : A 61 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.4) USER MOD Single : A 62 THR OG1 : rot 70:sc= 1.09 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -67:sc= 1.1 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.059 -7.476 8.788 1.00 0.00 N ATOM 2 CA MET A 1 10.003 -7.009 9.731 1.00 0.00 C ATOM 3 C MET A 1 9.701 -5.532 9.468 1.00 0.00 C ATOM 4 O MET A 1 8.627 -5.047 9.763 1.00 0.00 O ATOM 5 CB MET A 1 10.491 -7.183 11.170 1.00 0.00 C ATOM 6 CG MET A 1 9.310 -7.561 12.067 1.00 0.00 C ATOM 7 SD MET A 1 9.665 -7.070 13.773 1.00 0.00 S ATOM 8 CE MET A 1 9.054 -5.371 13.652 1.00 0.00 C ATOM 0 H1 MET A 1 11.145 -8.511 8.848 1.00 0.00 H new ATOM 0 H2 MET A 1 10.802 -7.206 7.817 1.00 0.00 H new ATOM 0 H3 MET A 1 11.968 -7.038 9.040 1.00 0.00 H new ATOM 0 HA MET A 1 9.097 -7.596 9.582 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.257 -7.957 11.214 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.949 -6.260 11.524 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.402 -7.069 11.717 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.130 -8.635 12.016 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.178 -4.870 14.612 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.617 -4.835 12.888 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.998 -5.382 13.383 1.00 0.00 H new ATOM 20 N ALA A 2 10.638 -4.813 8.913 1.00 0.00 N ATOM 21 CA ALA A 2 10.402 -3.370 8.631 1.00 0.00 C ATOM 22 C ALA A 2 10.039 -2.646 9.929 1.00 0.00 C ATOM 23 O ALA A 2 10.277 -3.139 11.014 1.00 0.00 O ATOM 24 CB ALA A 2 9.254 -3.228 7.629 1.00 0.00 C ATOM 0 H ALA A 2 11.557 -5.163 8.643 1.00 0.00 H new ATOM 0 HA ALA A 2 11.307 -2.930 8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.080 -2.172 7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.513 -3.742 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.349 -3.669 8.047 1.00 0.00 H new ATOM 30 N GLY A 3 9.462 -1.478 9.827 1.00 0.00 N ATOM 31 CA GLY A 3 9.082 -0.726 11.057 1.00 0.00 C ATOM 32 C GLY A 3 8.807 0.739 10.702 1.00 0.00 C ATOM 33 O GLY A 3 7.754 1.263 11.006 1.00 0.00 O ATOM 0 H GLY A 3 9.238 -1.014 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.197 -1.173 11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.882 -0.788 11.794 1.00 0.00 H new ATOM 37 N PRO A 4 9.771 1.351 10.067 1.00 0.00 N ATOM 38 CA PRO A 4 9.592 2.770 9.685 1.00 0.00 C ATOM 39 C PRO A 4 9.530 2.909 8.161 1.00 0.00 C ATOM 40 O PRO A 4 9.443 3.998 7.631 1.00 0.00 O ATOM 41 CB PRO A 4 10.830 3.474 10.241 1.00 0.00 C ATOM 42 CG PRO A 4 11.909 2.387 10.400 1.00 0.00 C ATOM 43 CD PRO A 4 11.172 1.038 10.438 1.00 0.00 C ATOM 0 HA PRO A 4 8.666 3.194 10.073 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.167 4.260 9.565 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.611 3.948 11.198 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.616 2.419 9.571 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.482 2.541 11.314 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.615 0.327 9.740 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.226 0.587 11.429 1.00 0.00 H new ATOM 51 N SER A 5 9.574 1.815 7.453 1.00 0.00 N ATOM 52 CA SER A 5 9.516 1.890 5.966 1.00 0.00 C ATOM 53 C SER A 5 8.505 0.865 5.448 1.00 0.00 C ATOM 54 O SER A 5 7.894 0.151 6.218 1.00 0.00 O ATOM 55 CB SER A 5 10.898 1.594 5.385 1.00 0.00 C ATOM 56 OG SER A 5 11.475 0.496 6.080 1.00 0.00 O ATOM 0 H SER A 5 9.647 0.874 7.839 1.00 0.00 H new ATOM 0 HA SER A 5 9.207 2.890 5.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.817 1.364 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.538 2.472 5.473 1.00 0.00 H new ATOM 0 HG SER A 5 12.361 0.303 5.708 1.00 0.00 H new ATOM 62 N VAL A 6 8.329 0.793 4.151 1.00 0.00 N ATOM 63 CA VAL A 6 7.357 -0.176 3.563 1.00 0.00 C ATOM 64 C VAL A 6 6.138 -0.298 4.481 1.00 0.00 C ATOM 65 O VAL A 6 5.542 -1.344 4.645 1.00 0.00 O ATOM 66 CB VAL A 6 8.052 -1.519 3.363 1.00 0.00 C ATOM 67 CG1 VAL A 6 7.885 -2.410 4.598 1.00 0.00 C ATOM 68 CG2 VAL A 6 7.442 -2.204 2.146 1.00 0.00 C ATOM 0 H VAL A 6 8.823 1.370 3.470 1.00 0.00 H new ATOM 0 HA VAL A 6 7.008 0.174 2.592 1.00 0.00 H new ATOM 0 HB VAL A 6 9.118 -1.353 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.389 -3.362 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.322 -1.915 5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.825 -2.588 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.928 -3.167 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.376 -2.359 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.585 -1.577 1.266 1.00 0.00 H new ATOM 78 N THR A 7 5.787 0.802 5.058 1.00 0.00 N ATOM 79 CA THR A 7 4.626 0.899 5.976 1.00 0.00 C ATOM 80 C THR A 7 4.350 2.389 6.080 1.00 0.00 C ATOM 81 O THR A 7 3.246 2.859 5.889 1.00 0.00 O ATOM 82 CB THR A 7 4.983 0.319 7.348 1.00 0.00 C ATOM 83 OG1 THR A 7 6.104 1.012 7.878 1.00 0.00 O ATOM 84 CG2 THR A 7 5.320 -1.167 7.201 1.00 0.00 C ATOM 0 H THR A 7 6.281 1.685 4.926 1.00 0.00 H new ATOM 0 HA THR A 7 3.760 0.342 5.618 1.00 0.00 H new ATOM 0 HB THR A 7 4.135 0.433 8.024 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.928 0.633 7.507 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.574 -1.581 8.177 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.458 -1.697 6.795 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.168 -1.283 6.526 1.00 0.00 H new ATOM 92 N GLU A 8 5.397 3.139 6.295 1.00 0.00 N ATOM 93 CA GLU A 8 5.278 4.614 6.318 1.00 0.00 C ATOM 94 C GLU A 8 5.420 5.062 4.863 1.00 0.00 C ATOM 95 O GLU A 8 4.873 6.061 4.439 1.00 0.00 O ATOM 96 CB GLU A 8 6.408 5.210 7.164 1.00 0.00 C ATOM 97 CG GLU A 8 5.812 6.040 8.304 1.00 0.00 C ATOM 98 CD GLU A 8 6.939 6.589 9.180 1.00 0.00 C ATOM 99 OE1 GLU A 8 8.078 6.218 8.949 1.00 0.00 O ATOM 100 OE2 GLU A 8 6.644 7.372 10.069 1.00 0.00 O ATOM 0 H GLU A 8 6.339 2.782 6.457 1.00 0.00 H new ATOM 0 HA GLU A 8 4.332 4.941 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.032 4.413 7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.050 5.834 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.219 6.860 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.139 5.425 8.902 1.00 0.00 H new ATOM 107 N LEU A 9 6.143 4.283 4.094 1.00 0.00 N ATOM 108 CA LEU A 9 6.334 4.583 2.649 1.00 0.00 C ATOM 109 C LEU A 9 4.989 4.433 1.937 1.00 0.00 C ATOM 110 O LEU A 9 4.539 5.319 1.240 1.00 0.00 O ATOM 111 CB LEU A 9 7.325 3.578 2.051 1.00 0.00 C ATOM 112 CG LEU A 9 8.682 3.697 2.746 1.00 0.00 C ATOM 113 CD1 LEU A 9 9.717 2.868 1.985 1.00 0.00 C ATOM 114 CD2 LEU A 9 9.124 5.158 2.763 1.00 0.00 C ATOM 0 H LEU A 9 6.615 3.439 4.417 1.00 0.00 H new ATOM 0 HA LEU A 9 6.717 5.596 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.939 2.565 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.438 3.760 0.982 1.00 0.00 H new ATOM 0 HG LEU A 9 8.596 3.331 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.685 2.952 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.407 1.823 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.798 3.237 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.091 5.240 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.209 5.524 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.388 5.754 3.302 1.00 0.00 H new ATOM 126 N ILE A 10 4.335 3.316 2.120 1.00 0.00 N ATOM 127 CA ILE A 10 3.014 3.119 1.468 1.00 0.00 C ATOM 128 C ILE A 10 2.073 4.177 2.024 1.00 0.00 C ATOM 129 O ILE A 10 1.372 4.858 1.302 1.00 0.00 O ATOM 130 CB ILE A 10 2.481 1.712 1.798 1.00 0.00 C ATOM 131 CG1 ILE A 10 2.971 0.727 0.733 1.00 0.00 C ATOM 132 CG2 ILE A 10 0.946 1.718 1.821 1.00 0.00 C ATOM 133 CD1 ILE A 10 2.329 -0.643 0.955 1.00 0.00 C ATOM 0 H ILE A 10 4.660 2.536 2.691 1.00 0.00 H new ATOM 0 HA ILE A 10 3.095 3.210 0.385 1.00 0.00 H new ATOM 0 HB ILE A 10 2.847 1.411 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.721 1.099 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.057 0.641 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.582 0.718 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.596 2.418 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.569 2.022 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.682 -1.338 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.601 -1.017 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.245 -0.552 0.888 1.00 0.00 H new ATOM 145 N THR A 11 2.070 4.318 3.313 1.00 0.00 N ATOM 146 CA THR A 11 1.203 5.328 3.951 1.00 0.00 C ATOM 147 C THR A 11 1.628 6.711 3.457 1.00 0.00 C ATOM 148 O THR A 11 0.867 7.657 3.496 1.00 0.00 O ATOM 149 CB THR A 11 1.369 5.219 5.468 1.00 0.00 C ATOM 150 OG1 THR A 11 1.139 3.875 5.869 1.00 0.00 O ATOM 151 CG2 THR A 11 0.369 6.135 6.167 1.00 0.00 C ATOM 0 H THR A 11 2.639 3.769 3.957 1.00 0.00 H new ATOM 0 HA THR A 11 0.155 5.168 3.697 1.00 0.00 H new ATOM 0 HB THR A 11 2.381 5.518 5.743 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.943 3.341 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.493 6.052 7.247 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.544 7.166 5.860 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.645 5.842 5.895 1.00 0.00 H new ATOM 159 N LYS A 12 2.832 6.827 2.958 1.00 0.00 N ATOM 160 CA LYS A 12 3.286 8.139 2.423 1.00 0.00 C ATOM 161 C LYS A 12 2.607 8.335 1.069 1.00 0.00 C ATOM 162 O LYS A 12 2.248 9.431 0.688 1.00 0.00 O ATOM 163 CB LYS A 12 4.808 8.142 2.254 1.00 0.00 C ATOM 164 CG LYS A 12 5.463 8.597 3.560 1.00 0.00 C ATOM 165 CD LYS A 12 5.807 10.085 3.469 1.00 0.00 C ATOM 166 CE LYS A 12 6.961 10.401 4.422 1.00 0.00 C ATOM 167 NZ LYS A 12 8.222 9.811 3.888 1.00 0.00 N ATOM 0 H LYS A 12 3.515 6.072 2.899 1.00 0.00 H new ATOM 0 HA LYS A 12 3.024 8.946 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.157 7.145 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.093 8.808 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.789 8.420 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.365 8.015 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.084 10.343 2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.935 10.687 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.070 11.480 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.749 9.998 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.035 10.363 4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.311 8.828 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.201 9.830 2.848 1.00 0.00 H new ATOM 181 N ALA A 13 2.397 7.258 0.358 1.00 0.00 N ATOM 182 CA ALA A 13 1.703 7.344 -0.954 1.00 0.00 C ATOM 183 C ALA A 13 0.205 7.165 -0.706 1.00 0.00 C ATOM 184 O ALA A 13 -0.558 6.878 -1.606 1.00 0.00 O ATOM 185 CB ALA A 13 2.201 6.232 -1.884 1.00 0.00 C ATOM 0 H ALA A 13 2.680 6.318 0.635 1.00 0.00 H new ATOM 0 HA ALA A 13 1.904 8.307 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.687 6.302 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.275 6.340 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.996 5.261 -1.433 1.00 0.00 H new ATOM 191 N VAL A 14 -0.218 7.335 0.521 1.00 0.00 N ATOM 192 CA VAL A 14 -1.655 7.181 0.847 1.00 0.00 C ATOM 193 C VAL A 14 -2.391 8.439 0.399 1.00 0.00 C ATOM 194 O VAL A 14 -3.581 8.428 0.163 1.00 0.00 O ATOM 195 CB VAL A 14 -1.832 6.997 2.354 1.00 0.00 C ATOM 196 CG1 VAL A 14 -1.576 8.325 3.073 1.00 0.00 C ATOM 197 CG2 VAL A 14 -3.264 6.533 2.630 1.00 0.00 C ATOM 0 H VAL A 14 0.380 7.575 1.312 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.057 6.306 0.336 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.123 6.254 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.704 8.188 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.559 8.659 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.283 9.074 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.402 6.398 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.966 7.283 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.445 5.587 2.119 1.00 0.00 H new ATOM 207 N SER A 15 -1.680 9.529 0.281 1.00 0.00 N ATOM 208 CA SER A 15 -2.321 10.798 -0.156 1.00 0.00 C ATOM 209 C SER A 15 -2.814 10.627 -1.590 1.00 0.00 C ATOM 210 O SER A 15 -3.703 11.322 -2.041 1.00 0.00 O ATOM 211 CB SER A 15 -1.300 11.934 -0.095 1.00 0.00 C ATOM 212 OG SER A 15 -1.874 13.110 -0.651 1.00 0.00 O ATOM 0 H SER A 15 -0.680 9.593 0.470 1.00 0.00 H new ATOM 0 HA SER A 15 -3.159 11.038 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.000 12.114 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.400 11.660 -0.645 1.00 0.00 H new ATOM 0 HG SER A 15 -1.223 13.841 -0.612 1.00 0.00 H new ATOM 218 N ALA A 16 -2.247 9.695 -2.307 1.00 0.00 N ATOM 219 CA ALA A 16 -2.688 9.463 -3.707 1.00 0.00 C ATOM 220 C ALA A 16 -4.203 9.278 -3.717 1.00 0.00 C ATOM 221 O ALA A 16 -4.853 9.456 -4.729 1.00 0.00 O ATOM 222 CB ALA A 16 -2.013 8.204 -4.256 1.00 0.00 C ATOM 0 H ALA A 16 -1.497 9.085 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.413 10.314 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.338 8.035 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.931 8.332 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.289 7.346 -3.643 1.00 0.00 H new ATOM 228 N SER A 17 -4.764 8.920 -2.590 1.00 0.00 N ATOM 229 CA SER A 17 -6.242 8.719 -2.507 1.00 0.00 C ATOM 230 C SER A 17 -6.962 9.765 -3.362 1.00 0.00 C ATOM 231 O SER A 17 -7.127 10.901 -2.964 1.00 0.00 O ATOM 232 CB SER A 17 -6.693 8.863 -1.053 1.00 0.00 C ATOM 233 OG SER A 17 -5.636 9.427 -0.288 1.00 0.00 O ATOM 0 H SER A 17 -4.259 8.757 -1.719 1.00 0.00 H new ATOM 0 HA SER A 17 -6.487 7.723 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.578 9.497 -0.996 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.971 7.890 -0.648 1.00 0.00 H new ATOM 0 HG SER A 17 -5.019 8.718 -0.010 1.00 0.00 H new ATOM 239 N LYS A 18 -7.393 9.387 -4.534 1.00 0.00 N ATOM 240 CA LYS A 18 -8.102 10.353 -5.419 1.00 0.00 C ATOM 241 C LYS A 18 -8.877 9.581 -6.489 1.00 0.00 C ATOM 242 O LYS A 18 -9.033 10.036 -7.605 1.00 0.00 O ATOM 243 CB LYS A 18 -7.081 11.275 -6.090 1.00 0.00 C ATOM 244 CG LYS A 18 -7.806 12.457 -6.736 1.00 0.00 C ATOM 245 CD LYS A 18 -6.795 13.555 -7.069 1.00 0.00 C ATOM 246 CE LYS A 18 -5.780 13.024 -8.082 1.00 0.00 C ATOM 247 NZ LYS A 18 -5.183 14.164 -8.833 1.00 0.00 N ATOM 0 H LYS A 18 -7.284 8.448 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.795 10.952 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.361 11.634 -5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.518 10.724 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.318 12.132 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.569 12.843 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.309 14.426 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.284 13.881 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.998 12.463 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.266 12.335 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.493 13.802 -9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.934 14.681 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.705 14.805 -8.168 1.00 0.00 H new ATOM 261 N GLU A 19 -9.362 8.415 -6.159 1.00 0.00 N ATOM 262 CA GLU A 19 -10.123 7.615 -7.159 1.00 0.00 C ATOM 263 C GLU A 19 -11.229 6.834 -6.450 1.00 0.00 C ATOM 264 O GLU A 19 -11.713 5.835 -6.944 1.00 0.00 O ATOM 265 CB GLU A 19 -9.174 6.640 -7.864 1.00 0.00 C ATOM 266 CG GLU A 19 -9.926 5.870 -8.956 1.00 0.00 C ATOM 267 CD GLU A 19 -10.821 6.829 -9.746 1.00 0.00 C ATOM 268 OE1 GLU A 19 -10.393 7.947 -9.985 1.00 0.00 O ATOM 269 OE2 GLU A 19 -11.919 6.430 -10.097 1.00 0.00 O ATOM 0 H GLU A 19 -9.264 7.982 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.568 8.282 -7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.339 7.186 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.753 5.942 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.216 5.386 -9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.530 5.081 -8.507 1.00 0.00 H new ATOM 276 N ARG A 20 -11.639 7.286 -5.298 1.00 0.00 N ATOM 277 CA ARG A 20 -12.721 6.574 -4.562 1.00 0.00 C ATOM 278 C ARG A 20 -12.163 5.307 -3.919 1.00 0.00 C ATOM 279 O ARG A 20 -12.896 4.406 -3.561 1.00 0.00 O ATOM 280 CB ARG A 20 -13.823 6.188 -5.541 1.00 0.00 C ATOM 281 CG ARG A 20 -15.137 6.031 -4.785 1.00 0.00 C ATOM 282 CD ARG A 20 -16.210 6.864 -5.476 1.00 0.00 C ATOM 283 NE ARG A 20 -16.170 8.261 -4.961 1.00 0.00 N ATOM 284 CZ ARG A 20 -16.745 9.220 -5.634 1.00 0.00 C ATOM 285 NH1 ARG A 20 -17.859 8.991 -6.276 1.00 0.00 N ATOM 286 NH2 ARG A 20 -16.204 10.408 -5.670 1.00 0.00 N ATOM 0 H ARG A 20 -11.272 8.117 -4.834 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.120 7.229 -3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.923 6.951 -6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.567 5.256 -6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.433 4.982 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.017 6.354 -3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.050 6.859 -6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.193 6.428 -5.298 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.694 8.468 -4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.280 8.062 -6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.308 9.741 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.332 10.587 -5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.654 11.157 -6.196 1.00 0.00 H new ATOM 300 N LYS A 21 -10.875 5.225 -3.773 1.00 0.00 N ATOM 301 CA LYS A 21 -10.277 4.007 -3.156 1.00 0.00 C ATOM 302 C LYS A 21 -8.802 4.254 -2.823 1.00 0.00 C ATOM 303 O LYS A 21 -8.325 3.875 -1.772 1.00 0.00 O ATOM 304 CB LYS A 21 -10.393 2.835 -4.137 1.00 0.00 C ATOM 305 CG LYS A 21 -9.873 3.262 -5.514 1.00 0.00 C ATOM 306 CD LYS A 21 -10.854 2.812 -6.599 1.00 0.00 C ATOM 307 CE LYS A 21 -10.443 1.434 -7.123 1.00 0.00 C ATOM 308 NZ LYS A 21 -10.956 0.380 -6.204 1.00 0.00 N ATOM 0 H LYS A 21 -10.208 5.945 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.811 3.772 -2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.821 1.983 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.432 2.513 -4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.751 4.345 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.891 2.825 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.866 2.772 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.865 3.534 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.840 1.281 -8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.357 1.370 -7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.843 -0.553 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.421 0.406 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.963 0.550 -6.008 1.00 0.00 H new ATOM 322 N GLY A 22 -8.072 4.883 -3.706 1.00 0.00 N ATOM 323 CA GLY A 22 -6.632 5.145 -3.428 1.00 0.00 C ATOM 324 C GLY A 22 -5.779 4.031 -4.039 1.00 0.00 C ATOM 325 O GLY A 22 -5.188 3.235 -3.337 1.00 0.00 O ATOM 0 H GLY A 22 -8.411 5.225 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.341 6.109 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.463 5.198 -2.353 1.00 0.00 H new ATOM 329 N LEU A 23 -5.708 3.966 -5.341 1.00 0.00 N ATOM 330 CA LEU A 23 -4.891 2.901 -5.988 1.00 0.00 C ATOM 331 C LEU A 23 -5.584 1.553 -5.795 1.00 0.00 C ATOM 332 O LEU A 23 -6.691 1.482 -5.298 1.00 0.00 O ATOM 333 CB LEU A 23 -3.497 2.865 -5.353 1.00 0.00 C ATOM 334 CG LEU A 23 -2.981 4.295 -5.183 1.00 0.00 C ATOM 335 CD1 LEU A 23 -2.031 4.370 -3.991 1.00 0.00 C ATOM 336 CD2 LEU A 23 -2.248 4.732 -6.451 1.00 0.00 C ATOM 0 H LEU A 23 -6.179 4.603 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.790 3.110 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.538 2.364 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.814 2.292 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.827 4.959 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.669 5.392 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.559 4.070 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.186 3.702 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.882 5.751 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.406 4.064 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.932 4.693 -7.298 1.00 0.00 H new ATOM 348 N SER A 24 -4.953 0.484 -6.186 1.00 0.00 N ATOM 349 CA SER A 24 -5.595 -0.850 -6.024 1.00 0.00 C ATOM 350 C SER A 24 -4.530 -1.909 -5.727 1.00 0.00 C ATOM 351 O SER A 24 -4.295 -2.798 -6.520 1.00 0.00 O ATOM 352 CB SER A 24 -6.329 -1.212 -7.316 1.00 0.00 C ATOM 353 OG SER A 24 -6.078 -0.211 -8.293 1.00 0.00 O ATOM 0 H SER A 24 -4.025 0.474 -6.609 1.00 0.00 H new ATOM 0 HA SER A 24 -6.301 -0.814 -5.195 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.993 -2.183 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.400 -1.294 -7.129 1.00 0.00 H new ATOM 0 HG SER A 24 -6.545 -0.440 -9.123 1.00 0.00 H new ATOM 359 N LEU A 25 -3.884 -1.829 -4.592 1.00 0.00 N ATOM 360 CA LEU A 25 -2.842 -2.844 -4.267 1.00 0.00 C ATOM 361 C LEU A 25 -1.870 -2.942 -5.441 1.00 0.00 C ATOM 362 O LEU A 25 -1.255 -3.964 -5.673 1.00 0.00 O ATOM 363 CB LEU A 25 -3.520 -4.201 -4.046 1.00 0.00 C ATOM 364 CG LEU A 25 -2.498 -5.230 -3.564 1.00 0.00 C ATOM 365 CD1 LEU A 25 -2.872 -5.696 -2.155 1.00 0.00 C ATOM 366 CD2 LEU A 25 -2.499 -6.432 -4.508 1.00 0.00 C ATOM 0 H LEU A 25 -4.032 -1.111 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.301 -2.557 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.320 -4.101 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.980 -4.541 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.507 -4.777 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.144 -6.430 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.875 -4.842 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.863 -6.149 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.770 -7.166 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.491 -6.884 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.237 -6.105 -5.514 1.00 0.00 H new ATOM 378 N ALA A 26 -1.735 -1.881 -6.189 1.00 0.00 N ATOM 379 CA ALA A 26 -0.813 -1.902 -7.358 1.00 0.00 C ATOM 380 C ALA A 26 -0.014 -0.598 -7.408 1.00 0.00 C ATOM 381 O ALA A 26 1.147 -0.564 -7.064 1.00 0.00 O ATOM 382 CB ALA A 26 -1.626 -2.049 -8.645 1.00 0.00 C ATOM 0 H ALA A 26 -2.225 -0.999 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.127 -2.743 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.952 -2.064 -9.501 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.193 -2.979 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.313 -1.208 -8.739 1.00 0.00 H new ATOM 388 N ALA A 27 -0.623 0.473 -7.841 1.00 0.00 N ATOM 389 CA ALA A 27 0.110 1.769 -7.920 1.00 0.00 C ATOM 390 C ALA A 27 0.730 2.100 -6.558 1.00 0.00 C ATOM 391 O ALA A 27 1.909 2.377 -6.460 1.00 0.00 O ATOM 392 CB ALA A 27 -0.859 2.875 -8.331 1.00 0.00 C ATOM 0 H ALA A 27 -1.597 0.506 -8.143 1.00 0.00 H new ATOM 0 HA ALA A 27 0.905 1.691 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.325 3.823 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.288 2.640 -9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.657 2.953 -7.592 1.00 0.00 H new ATOM 398 N LEU A 28 -0.047 2.069 -5.505 1.00 0.00 N ATOM 399 CA LEU A 28 0.507 2.366 -4.159 1.00 0.00 C ATOM 400 C LEU A 28 1.840 1.659 -4.006 1.00 0.00 C ATOM 401 O LEU A 28 2.858 2.276 -3.801 1.00 0.00 O ATOM 402 CB LEU A 28 -0.450 1.823 -3.092 1.00 0.00 C ATOM 403 CG LEU A 28 -0.147 2.416 -1.704 1.00 0.00 C ATOM 404 CD1 LEU A 28 -0.562 1.405 -0.639 1.00 0.00 C ATOM 405 CD2 LEU A 28 1.341 2.727 -1.536 1.00 0.00 C ATOM 0 H LEU A 28 -1.043 1.850 -5.524 1.00 0.00 H new ATOM 0 HA LEU A 28 0.632 3.443 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.477 2.056 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.370 0.737 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.703 3.348 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.353 1.812 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.629 1.199 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.001 0.480 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.516 3.144 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.920 1.810 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.650 3.449 -2.292 1.00 0.00 H new ATOM 417 N LYS A 29 1.829 0.363 -4.069 1.00 0.00 N ATOM 418 CA LYS A 29 3.091 -0.396 -3.885 1.00 0.00 C ATOM 419 C LYS A 29 4.118 -0.005 -4.956 1.00 0.00 C ATOM 420 O LYS A 29 5.306 -0.114 -4.743 1.00 0.00 O ATOM 421 CB LYS A 29 2.825 -1.898 -4.011 1.00 0.00 C ATOM 422 CG LYS A 29 2.185 -2.493 -2.741 1.00 0.00 C ATOM 423 CD LYS A 29 2.086 -4.015 -2.951 1.00 0.00 C ATOM 424 CE LYS A 29 1.666 -4.307 -4.404 1.00 0.00 C ATOM 425 NZ LYS A 29 2.867 -4.276 -5.285 1.00 0.00 N ATOM 0 H LYS A 29 1.000 -0.206 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 29 3.480 -0.160 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.169 -2.077 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.763 -2.414 -4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.789 -2.264 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.198 -2.063 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.046 -4.485 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.360 -4.442 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.182 -5.282 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.937 -3.568 -4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.734 -4.938 -6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.000 -3.314 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.706 -4.555 -4.738 1.00 0.00 H new ATOM 439 N LYS A 30 3.679 0.422 -6.111 1.00 0.00 N ATOM 440 CA LYS A 30 4.646 0.776 -7.186 1.00 0.00 C ATOM 441 C LYS A 30 5.135 2.216 -7.002 1.00 0.00 C ATOM 442 O LYS A 30 5.785 2.780 -7.860 1.00 0.00 O ATOM 443 CB LYS A 30 3.960 0.615 -8.544 1.00 0.00 C ATOM 444 CG LYS A 30 3.212 -0.728 -8.590 1.00 0.00 C ATOM 445 CD LYS A 30 3.880 -1.643 -9.619 1.00 0.00 C ATOM 446 CE LYS A 30 4.138 -3.016 -8.997 1.00 0.00 C ATOM 447 NZ LYS A 30 4.858 -3.875 -9.980 1.00 0.00 N ATOM 0 H LYS A 30 2.695 0.540 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 30 5.510 0.114 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.263 1.436 -8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.700 0.658 -9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.224 -1.198 -7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.167 -0.567 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.243 -1.745 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.819 -1.203 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.729 -2.911 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.195 -3.482 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.035 -4.810 -9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.278 -3.984 -10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.764 -3.431 -10.231 1.00 0.00 H new ATOM 461 N ALA A 31 4.845 2.802 -5.876 1.00 0.00 N ATOM 462 CA ALA A 31 5.304 4.194 -5.605 1.00 0.00 C ATOM 463 C ALA A 31 6.459 4.128 -4.605 1.00 0.00 C ATOM 464 O ALA A 31 7.359 4.944 -4.612 1.00 0.00 O ATOM 465 CB ALA A 31 4.156 5.006 -5.003 1.00 0.00 C ATOM 0 H ALA A 31 4.305 2.374 -5.124 1.00 0.00 H new ATOM 0 HA ALA A 31 5.628 4.671 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.494 6.023 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.321 5.030 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.833 4.544 -4.070 1.00 0.00 H new ATOM 471 N LEU A 32 6.437 3.135 -3.760 1.00 0.00 N ATOM 472 CA LEU A 32 7.525 2.959 -2.759 1.00 0.00 C ATOM 473 C LEU A 32 8.795 2.572 -3.496 1.00 0.00 C ATOM 474 O LEU A 32 9.897 2.719 -3.006 1.00 0.00 O ATOM 475 CB LEU A 32 7.129 1.842 -1.784 1.00 0.00 C ATOM 476 CG LEU A 32 5.790 2.172 -1.116 1.00 0.00 C ATOM 477 CD1 LEU A 32 5.639 3.683 -0.988 1.00 0.00 C ATOM 478 CD2 LEU A 32 4.615 1.610 -1.921 1.00 0.00 C ATOM 0 H LEU A 32 5.702 2.429 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 32 7.688 3.881 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.054 0.894 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.902 1.721 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 32 5.782 1.711 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.686 3.914 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.453 4.080 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.670 4.137 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.679 1.860 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.620 2.042 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.709 0.526 -1.994 1.00 0.00 H new ATOM 490 N ALA A 33 8.630 2.082 -4.683 1.00 0.00 N ATOM 491 CA ALA A 33 9.796 1.673 -5.509 1.00 0.00 C ATOM 492 C ALA A 33 10.368 2.893 -6.242 1.00 0.00 C ATOM 493 O ALA A 33 10.847 2.789 -7.354 1.00 0.00 O ATOM 494 CB ALA A 33 9.335 0.638 -6.534 1.00 0.00 C ATOM 0 H ALA A 33 7.722 1.944 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 33 10.568 1.248 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.182 0.330 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.927 -0.230 -6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.566 1.075 -7.172 1.00 0.00 H new ATOM 500 N ALA A 34 10.320 4.047 -5.634 1.00 0.00 N ATOM 501 CA ALA A 34 10.858 5.266 -6.305 1.00 0.00 C ATOM 502 C ALA A 34 11.950 5.900 -5.435 1.00 0.00 C ATOM 503 O ALA A 34 12.103 7.105 -5.395 1.00 0.00 O ATOM 504 CB ALA A 34 9.724 6.272 -6.515 1.00 0.00 C ATOM 0 H ALA A 34 9.932 4.199 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 34 11.285 4.988 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.115 7.164 -7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.951 5.824 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.297 6.546 -5.550 1.00 0.00 H new ATOM 510 N GLY A 35 12.711 5.098 -4.740 1.00 0.00 N ATOM 511 CA GLY A 35 13.795 5.653 -3.876 1.00 0.00 C ATOM 512 C GLY A 35 14.260 4.577 -2.895 1.00 0.00 C ATOM 513 O GLY A 35 13.838 4.537 -1.757 1.00 0.00 O ATOM 0 H GLY A 35 12.629 4.081 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.631 5.987 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.432 6.525 -3.332 1.00 0.00 H new ATOM 517 N GLY A 36 15.111 3.691 -3.334 1.00 0.00 N ATOM 518 CA GLY A 36 15.583 2.603 -2.433 1.00 0.00 C ATOM 519 C GLY A 36 14.463 1.576 -2.321 1.00 0.00 C ATOM 520 O GLY A 36 13.921 1.338 -1.260 1.00 0.00 O ATOM 0 H GLY A 36 15.499 3.674 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.487 2.142 -2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.835 3.002 -1.451 1.00 0.00 H new ATOM 524 N TYR A 37 14.090 0.999 -3.427 1.00 0.00 N ATOM 525 CA TYR A 37 12.973 0.020 -3.422 1.00 0.00 C ATOM 526 C TYR A 37 12.481 -0.145 -4.858 1.00 0.00 C ATOM 527 O TYR A 37 12.440 0.813 -5.605 1.00 0.00 O ATOM 528 CB TYR A 37 11.836 0.598 -2.579 1.00 0.00 C ATOM 529 CG TYR A 37 11.591 -0.263 -1.370 1.00 0.00 C ATOM 530 CD1 TYR A 37 12.646 -0.962 -0.772 1.00 0.00 C ATOM 531 CD2 TYR A 37 10.301 -0.355 -0.842 1.00 0.00 C ATOM 532 CE1 TYR A 37 12.406 -1.756 0.357 1.00 0.00 C ATOM 533 CE2 TYR A 37 10.060 -1.146 0.283 1.00 0.00 C ATOM 534 CZ TYR A 37 11.112 -1.848 0.885 1.00 0.00 C ATOM 535 OH TYR A 37 10.873 -2.629 1.998 1.00 0.00 O ATOM 0 H TYR A 37 14.514 1.165 -4.339 1.00 0.00 H new ATOM 0 HA TYR A 37 13.297 -0.939 -3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.085 1.612 -2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.927 0.663 -3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.643 -0.889 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.489 0.186 -1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.218 -2.297 0.820 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.062 -1.217 0.689 1.00 0.00 H new ATOM 0 HH TYR A 37 11.141 -2.140 2.804 1.00 0.00 H new ATOM 545 N ASP A 38 12.099 -1.322 -5.278 1.00 0.00 N ATOM 546 CA ASP A 38 11.618 -1.441 -6.667 1.00 0.00 C ATOM 547 C ASP A 38 10.412 -2.366 -6.705 1.00 0.00 C ATOM 548 O ASP A 38 10.009 -2.801 -7.764 1.00 0.00 O ATOM 549 CB ASP A 38 12.740 -1.997 -7.560 1.00 0.00 C ATOM 550 CG ASP A 38 12.833 -1.174 -8.847 1.00 0.00 C ATOM 551 OD1 ASP A 38 12.683 0.034 -8.766 1.00 0.00 O ATOM 552 OD2 ASP A 38 13.053 -1.766 -9.892 1.00 0.00 O ATOM 0 H ASP A 38 12.101 -2.181 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 38 11.328 -0.458 -7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.691 -1.965 -7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.543 -3.042 -7.799 1.00 0.00 H new ATOM 557 N VAL A 39 9.851 -2.717 -5.557 1.00 0.00 N ATOM 558 CA VAL A 39 8.702 -3.655 -5.558 1.00 0.00 C ATOM 559 C VAL A 39 9.078 -4.792 -6.497 1.00 0.00 C ATOM 560 O VAL A 39 8.253 -5.459 -7.089 1.00 0.00 O ATOM 561 CB VAL A 39 7.431 -2.932 -6.011 1.00 0.00 C ATOM 562 CG1 VAL A 39 7.290 -1.629 -5.223 1.00 0.00 C ATOM 563 CG2 VAL A 39 7.514 -2.608 -7.498 1.00 0.00 C ATOM 0 H VAL A 39 10.147 -2.390 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 39 8.493 -4.045 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 39 6.570 -3.576 -5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.387 -1.108 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.225 -1.853 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.158 -0.996 -5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.605 -2.094 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.375 -1.966 -7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.621 -3.532 -8.066 1.00 0.00 H new ATOM 573 N GLU A 40 10.365 -4.994 -6.608 1.00 0.00 N ATOM 574 CA GLU A 40 10.929 -6.049 -7.461 1.00 0.00 C ATOM 575 C GLU A 40 12.034 -6.703 -6.645 1.00 0.00 C ATOM 576 O GLU A 40 11.843 -7.737 -6.034 1.00 0.00 O ATOM 577 CB GLU A 40 11.508 -5.415 -8.722 1.00 0.00 C ATOM 578 CG GLU A 40 10.836 -6.023 -9.955 1.00 0.00 C ATOM 579 CD GLU A 40 10.210 -4.910 -10.797 1.00 0.00 C ATOM 580 OE1 GLU A 40 9.424 -4.153 -10.252 1.00 0.00 O ATOM 581 OE2 GLU A 40 10.529 -4.833 -11.972 1.00 0.00 O ATOM 0 H GLU A 40 11.066 -4.440 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 40 10.179 -6.780 -7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.351 -4.336 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.585 -5.580 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.568 -6.573 -10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.071 -6.737 -9.650 1.00 0.00 H new ATOM 588 N LYS A 41 13.165 -6.060 -6.558 1.00 0.00 N ATOM 589 CA LYS A 41 14.245 -6.596 -5.697 1.00 0.00 C ATOM 590 C LYS A 41 13.784 -6.385 -4.251 1.00 0.00 C ATOM 591 O LYS A 41 14.358 -6.899 -3.312 1.00 0.00 O ATOM 592 CB LYS A 41 15.545 -5.823 -5.945 1.00 0.00 C ATOM 593 CG LYS A 41 16.657 -6.394 -5.063 1.00 0.00 C ATOM 594 CD LYS A 41 17.072 -7.769 -5.591 1.00 0.00 C ATOM 595 CE LYS A 41 17.859 -8.515 -4.513 1.00 0.00 C ATOM 596 NZ LYS A 41 19.264 -8.018 -4.488 1.00 0.00 N ATOM 0 H LYS A 41 13.384 -5.191 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 41 14.435 -7.648 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 41 15.827 -5.894 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.399 -4.766 -5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.514 -5.721 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.312 -6.477 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.190 -8.343 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.681 -7.657 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.392 -8.367 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.845 -9.586 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.799 -8.526 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.707 -8.181 -5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.268 -7.000 -4.277 1.00 0.00 H new ATOM 610 N ASN A 42 12.723 -5.624 -4.087 1.00 0.00 N ATOM 611 CA ASN A 42 12.163 -5.346 -2.748 1.00 0.00 C ATOM 612 C ASN A 42 10.661 -5.623 -2.816 1.00 0.00 C ATOM 613 O ASN A 42 9.893 -5.152 -2.002 1.00 0.00 O ATOM 614 CB ASN A 42 12.398 -3.872 -2.417 1.00 0.00 C ATOM 615 CG ASN A 42 13.894 -3.625 -2.248 1.00 0.00 C ATOM 616 OD1 ASN A 42 14.540 -3.032 -3.214 1.00 0.00 O flip ATOM 617 ND2 ASN A 42 14.477 -3.972 -1.240 1.00 0.00 N flip ATOM 0 H ASN A 42 12.219 -5.179 -4.854 1.00 0.00 H new ATOM 0 HA ASN A 42 12.632 -5.966 -1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.001 -3.241 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.868 -3.604 -1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.965 -4.435 -0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.478 -3.800 -1.145 1.00 0.00 H new ATOM 624 N ASN A 43 10.241 -6.379 -3.801 1.00 0.00 N ATOM 625 CA ASN A 43 8.793 -6.694 -3.946 1.00 0.00 C ATOM 626 C ASN A 43 8.361 -7.560 -2.773 1.00 0.00 C ATOM 627 O ASN A 43 7.232 -7.516 -2.333 1.00 0.00 O ATOM 628 CB ASN A 43 8.555 -7.455 -5.262 1.00 0.00 C ATOM 629 CG ASN A 43 8.888 -8.942 -5.085 1.00 0.00 C ATOM 630 OD1 ASN A 43 10.065 -9.287 -4.640 1.00 0.00 O flip ATOM 631 ND2 ASN A 43 8.068 -9.797 -5.354 1.00 0.00 N flip ATOM 0 H ASN A 43 10.845 -6.791 -4.512 1.00 0.00 H new ATOM 0 HA ASN A 43 8.215 -5.770 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.516 -7.342 -5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.172 -7.029 -6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.147 -9.529 -5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.300 -10.783 -5.232 1.00 0.00 H new ATOM 638 N SER A 44 9.253 -8.358 -2.269 1.00 0.00 N ATOM 639 CA SER A 44 8.891 -9.230 -1.132 1.00 0.00 C ATOM 640 C SER A 44 8.644 -8.369 0.100 1.00 0.00 C ATOM 641 O SER A 44 8.197 -8.853 1.120 1.00 0.00 O ATOM 642 CB SER A 44 10.023 -10.221 -0.854 1.00 0.00 C ATOM 643 OG SER A 44 9.515 -11.312 -0.098 1.00 0.00 O ATOM 0 H SER A 44 10.215 -8.442 -2.596 1.00 0.00 H new ATOM 0 HA SER A 44 7.987 -9.788 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.447 -10.579 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.828 -9.728 -0.308 1.00 0.00 H new ATOM 0 HG SER A 44 8.852 -10.984 0.545 1.00 0.00 H new ATOM 649 N ARG A 45 8.912 -7.091 0.026 1.00 0.00 N ATOM 650 CA ARG A 45 8.656 -6.246 1.219 1.00 0.00 C ATOM 651 C ARG A 45 7.526 -5.269 0.911 1.00 0.00 C ATOM 652 O ARG A 45 6.955 -4.671 1.797 1.00 0.00 O ATOM 653 CB ARG A 45 9.916 -5.472 1.612 1.00 0.00 C ATOM 654 CG ARG A 45 10.977 -6.446 2.126 1.00 0.00 C ATOM 655 CD ARG A 45 11.622 -5.879 3.392 1.00 0.00 C ATOM 656 NE ARG A 45 11.039 -6.548 4.590 1.00 0.00 N ATOM 657 CZ ARG A 45 11.665 -7.550 5.148 1.00 0.00 C ATOM 658 NH1 ARG A 45 12.803 -7.353 5.756 1.00 0.00 N ATOM 659 NH2 ARG A 45 11.155 -8.750 5.094 1.00 0.00 N ATOM 0 H ARG A 45 9.288 -6.609 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 45 8.372 -6.888 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.299 -4.921 0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.679 -4.738 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.524 -7.414 2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.736 -6.610 1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.700 -6.035 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.456 -4.803 3.447 1.00 0.00 H new ATOM 0 HE ARG A 45 10.152 -6.224 4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.204 -6.416 5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.291 -8.136 6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.267 -8.906 4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.644 -9.532 5.530 1.00 0.00 H new ATOM 673 N ILE A 46 7.193 -5.107 -0.339 1.00 0.00 N ATOM 674 CA ILE A 46 6.099 -4.170 -0.699 1.00 0.00 C ATOM 675 C ILE A 46 4.769 -4.930 -0.734 1.00 0.00 C ATOM 676 O ILE A 46 3.768 -4.464 -0.231 1.00 0.00 O ATOM 677 CB ILE A 46 6.413 -3.541 -2.068 1.00 0.00 C ATOM 678 CG1 ILE A 46 6.745 -2.064 -1.866 1.00 0.00 C ATOM 679 CG2 ILE A 46 5.208 -3.655 -3.007 1.00 0.00 C ATOM 680 CD1 ILE A 46 8.198 -1.813 -2.257 1.00 0.00 C ATOM 0 H ILE A 46 7.633 -5.584 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 46 6.018 -3.375 0.042 1.00 0.00 H new ATOM 0 HB ILE A 46 7.256 -4.069 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.082 -1.445 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.583 -1.783 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.452 -3.204 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.958 -4.706 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.355 -3.136 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.437 -0.759 -2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.853 -2.422 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.344 -2.079 -3.304 1.00 0.00 H new ATOM 692 N LYS A 47 4.749 -6.096 -1.320 1.00 0.00 N ATOM 693 CA LYS A 47 3.477 -6.871 -1.367 1.00 0.00 C ATOM 694 C LYS A 47 3.198 -7.452 0.023 1.00 0.00 C ATOM 695 O LYS A 47 2.187 -8.084 0.258 1.00 0.00 O ATOM 696 CB LYS A 47 3.596 -8.000 -2.387 1.00 0.00 C ATOM 697 CG LYS A 47 3.154 -7.496 -3.763 1.00 0.00 C ATOM 698 CD LYS A 47 2.072 -8.422 -4.321 1.00 0.00 C ATOM 699 CE LYS A 47 2.552 -9.033 -5.639 1.00 0.00 C ATOM 700 NZ LYS A 47 3.550 -10.103 -5.357 1.00 0.00 N ATOM 0 H LYS A 47 5.551 -6.542 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 47 2.657 -6.216 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.625 -8.356 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.979 -8.846 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.772 -6.478 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.006 -7.464 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.848 -9.211 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.149 -7.865 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.707 -9.446 -6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.997 -8.262 -6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.876 -10.518 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.361 -9.696 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.110 -10.842 -4.773 1.00 0.00 H new ATOM 714 N LEU A 48 4.079 -7.204 0.953 1.00 0.00 N ATOM 715 CA LEU A 48 3.881 -7.686 2.341 1.00 0.00 C ATOM 716 C LEU A 48 3.600 -6.448 3.170 1.00 0.00 C ATOM 717 O LEU A 48 2.672 -6.396 3.951 1.00 0.00 O ATOM 718 CB LEU A 48 5.148 -8.381 2.842 1.00 0.00 C ATOM 719 CG LEU A 48 4.973 -9.895 2.723 1.00 0.00 C ATOM 720 CD1 LEU A 48 5.988 -10.449 1.722 1.00 0.00 C ATOM 721 CD2 LEU A 48 5.196 -10.544 4.091 1.00 0.00 C ATOM 0 H LEU A 48 4.940 -6.679 0.803 1.00 0.00 H new ATOM 0 HA LEU A 48 3.066 -8.407 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.010 -8.056 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.342 -8.106 3.879 1.00 0.00 H new ATOM 0 HG LEU A 48 3.964 -10.118 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.863 -11.529 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.827 -9.987 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.998 -10.226 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.071 -11.624 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.205 -10.322 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.471 -10.150 4.803 1.00 0.00 H new ATOM 733 N GLY A 49 4.374 -5.421 2.950 1.00 0.00 N ATOM 734 CA GLY A 49 4.128 -4.151 3.657 1.00 0.00 C ATOM 735 C GLY A 49 2.837 -3.572 3.086 1.00 0.00 C ATOM 736 O GLY A 49 2.253 -2.667 3.642 1.00 0.00 O ATOM 0 H GLY A 49 5.166 -5.415 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.036 -4.318 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.959 -3.460 3.512 1.00 0.00 H new ATOM 740 N LEU A 50 2.369 -4.116 1.981 1.00 0.00 N ATOM 741 CA LEU A 50 1.098 -3.619 1.395 1.00 0.00 C ATOM 742 C LEU A 50 -0.015 -4.573 1.774 1.00 0.00 C ATOM 743 O LEU A 50 -0.968 -4.204 2.427 1.00 0.00 O ATOM 744 CB LEU A 50 1.149 -3.542 -0.114 1.00 0.00 C ATOM 745 CG LEU A 50 -0.155 -2.886 -0.569 1.00 0.00 C ATOM 746 CD1 LEU A 50 0.082 -1.408 -0.839 1.00 0.00 C ATOM 747 CD2 LEU A 50 -0.680 -3.559 -1.831 1.00 0.00 C ATOM 0 H LEU A 50 2.816 -4.877 1.470 1.00 0.00 H new ATOM 0 HA LEU A 50 0.928 -2.615 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.010 -2.959 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.253 -4.536 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.897 -2.999 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.849 -0.943 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.431 -0.923 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.834 -1.297 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.609 -3.079 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.059 -3.466 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.866 -4.614 -1.630 1.00 0.00 H new ATOM 759 N LYS A 51 0.106 -5.822 1.407 1.00 0.00 N ATOM 760 CA LYS A 51 -0.943 -6.786 1.816 1.00 0.00 C ATOM 761 C LYS A 51 -1.122 -6.592 3.316 1.00 0.00 C ATOM 762 O LYS A 51 -2.162 -6.851 3.881 1.00 0.00 O ATOM 763 CB LYS A 51 -0.494 -8.217 1.513 1.00 0.00 C ATOM 764 CG LYS A 51 -1.558 -9.200 2.001 1.00 0.00 C ATOM 765 CD LYS A 51 -2.636 -9.360 0.927 1.00 0.00 C ATOM 766 CE LYS A 51 -3.904 -8.630 1.368 1.00 0.00 C ATOM 767 NZ LYS A 51 -5.054 -9.577 1.354 1.00 0.00 N ATOM 0 H LYS A 51 0.872 -6.206 0.853 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.876 -6.620 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.334 -8.340 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.458 -8.422 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.103 -10.166 2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.004 -8.839 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.282 -8.957 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.849 -10.417 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.770 -8.219 2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.103 -7.790 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.917 -9.080 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.186 -9.949 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.863 -10.364 2.006 1.00 0.00 H new ATOM 781 N SER A 52 -0.097 -6.082 3.951 1.00 0.00 N ATOM 782 CA SER A 52 -0.170 -5.796 5.392 1.00 0.00 C ATOM 783 C SER A 52 -0.624 -4.347 5.563 1.00 0.00 C ATOM 784 O SER A 52 -1.346 -4.037 6.477 1.00 0.00 O ATOM 785 CB SER A 52 1.204 -5.989 6.030 1.00 0.00 C ATOM 786 OG SER A 52 2.053 -4.915 5.648 1.00 0.00 O ATOM 0 H SER A 52 0.796 -5.853 3.514 1.00 0.00 H new ATOM 0 HA SER A 52 -0.873 -6.473 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.112 -6.027 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.635 -6.939 5.713 1.00 0.00 H new ATOM 0 HG SER A 52 2.706 -4.745 6.359 1.00 0.00 H new ATOM 792 N LEU A 53 -0.246 -3.437 4.687 1.00 0.00 N ATOM 793 CA LEU A 53 -0.742 -2.046 4.886 1.00 0.00 C ATOM 794 C LEU A 53 -2.238 -2.042 4.589 1.00 0.00 C ATOM 795 O LEU A 53 -3.059 -1.846 5.464 1.00 0.00 O ATOM 796 CB LEU A 53 -0.020 -1.077 3.950 1.00 0.00 C ATOM 797 CG LEU A 53 0.964 -0.220 4.753 1.00 0.00 C ATOM 798 CD1 LEU A 53 0.187 0.750 5.642 1.00 0.00 C ATOM 799 CD2 LEU A 53 1.843 -1.117 5.632 1.00 0.00 C ATOM 0 H LEU A 53 0.358 -3.593 3.880 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.551 -1.723 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.512 -1.631 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.744 -0.439 3.443 1.00 0.00 H new ATOM 0 HG LEU A 53 1.596 0.338 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.887 1.360 6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.434 1.396 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.447 0.187 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.540 -0.500 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.214 -1.681 6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.402 -1.809 5.002 1.00 0.00 H new ATOM 811 N VAL A 54 -2.597 -2.264 3.359 1.00 0.00 N ATOM 812 CA VAL A 54 -4.037 -2.287 2.982 1.00 0.00 C ATOM 813 C VAL A 54 -4.797 -3.446 3.671 1.00 0.00 C ATOM 814 O VAL A 54 -5.974 -3.630 3.427 1.00 0.00 O ATOM 815 CB VAL A 54 -4.105 -2.411 1.451 1.00 0.00 C ATOM 816 CG1 VAL A 54 -5.120 -3.476 1.012 1.00 0.00 C ATOM 817 CG2 VAL A 54 -4.502 -1.062 0.847 1.00 0.00 C ATOM 0 H VAL A 54 -1.949 -2.432 2.590 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.523 -1.371 3.317 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.119 -2.713 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.139 -3.534 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.832 -4.444 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.111 -3.207 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.550 -1.149 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.478 -0.765 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.761 -0.310 1.118 1.00 0.00 H new ATOM 827 N SER A 55 -4.175 -4.238 4.511 1.00 0.00 N ATOM 828 CA SER A 55 -4.953 -5.351 5.145 1.00 0.00 C ATOM 829 C SER A 55 -4.587 -5.545 6.624 1.00 0.00 C ATOM 830 O SER A 55 -5.078 -6.454 7.264 1.00 0.00 O ATOM 831 CB SER A 55 -4.693 -6.651 4.387 1.00 0.00 C ATOM 832 OG SER A 55 -4.260 -6.343 3.070 1.00 0.00 O ATOM 0 H SER A 55 -3.194 -4.168 4.780 1.00 0.00 H new ATOM 0 HA SER A 55 -6.009 -5.084 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.936 -7.242 4.903 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.600 -7.254 4.353 1.00 0.00 H new ATOM 0 HG SER A 55 -3.295 -6.174 3.074 1.00 0.00 H new ATOM 838 N LYS A 56 -3.760 -4.712 7.193 1.00 0.00 N ATOM 839 CA LYS A 56 -3.428 -4.898 8.640 1.00 0.00 C ATOM 840 C LYS A 56 -4.253 -3.921 9.468 1.00 0.00 C ATOM 841 O LYS A 56 -4.558 -4.165 10.618 1.00 0.00 O ATOM 842 CB LYS A 56 -1.941 -4.639 8.902 1.00 0.00 C ATOM 843 CG LYS A 56 -1.652 -3.137 8.817 1.00 0.00 C ATOM 844 CD LYS A 56 -1.621 -2.540 10.226 1.00 0.00 C ATOM 845 CE LYS A 56 -0.207 -2.048 10.541 1.00 0.00 C ATOM 846 NZ LYS A 56 0.114 -2.339 11.967 1.00 0.00 N ATOM 0 H LYS A 56 -3.305 -3.924 6.732 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.656 -5.927 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.665 -5.016 9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.335 -5.177 8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.698 -2.968 8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.417 -2.642 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.329 -1.715 10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.928 -3.288 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.514 -2.538 9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.132 -0.977 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.075 -2.005 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.568 -1.851 12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.059 -3.364 12.133 1.00 0.00 H new ATOM 860 N GLY A 57 -4.616 -2.814 8.890 1.00 0.00 N ATOM 861 CA GLY A 57 -5.422 -1.821 9.649 1.00 0.00 C ATOM 862 C GLY A 57 -4.958 -0.401 9.334 1.00 0.00 C ATOM 863 O GLY A 57 -5.614 0.560 9.684 1.00 0.00 O ATOM 0 H GLY A 57 -4.391 -2.554 7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.476 -1.930 9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.330 -2.011 10.718 1.00 0.00 H new ATOM 867 N THR A 58 -3.856 -0.247 8.655 1.00 0.00 N ATOM 868 CA THR A 58 -3.409 1.121 8.311 1.00 0.00 C ATOM 869 C THR A 58 -4.316 1.571 7.193 1.00 0.00 C ATOM 870 O THR A 58 -5.193 2.384 7.370 1.00 0.00 O ATOM 871 CB THR A 58 -1.954 1.090 7.835 1.00 0.00 C ATOM 872 OG1 THR A 58 -1.406 -0.196 8.095 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.146 2.154 8.582 1.00 0.00 C ATOM 0 H THR A 58 -3.254 -1.003 8.328 1.00 0.00 H new ATOM 0 HA THR A 58 -3.458 1.795 9.166 1.00 0.00 H new ATOM 0 HB THR A 58 -1.914 1.296 6.765 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.483 -0.101 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.111 2.130 8.242 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.570 3.138 8.384 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.181 1.952 9.653 1.00 0.00 H new ATOM 881 N LEU A 59 -4.142 0.993 6.053 1.00 0.00 N ATOM 882 CA LEU A 59 -5.008 1.316 4.910 1.00 0.00 C ATOM 883 C LEU A 59 -6.324 0.549 5.074 1.00 0.00 C ATOM 884 O LEU A 59 -6.349 -0.666 5.050 1.00 0.00 O ATOM 885 CB LEU A 59 -4.291 0.864 3.655 1.00 0.00 C ATOM 886 CG LEU A 59 -3.699 2.066 2.924 1.00 0.00 C ATOM 887 CD1 LEU A 59 -3.025 3.002 3.933 1.00 0.00 C ATOM 888 CD2 LEU A 59 -2.668 1.579 1.908 1.00 0.00 C ATOM 0 H LEU A 59 -3.421 0.297 5.863 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.221 2.383 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.500 0.160 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.985 0.337 3.001 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.493 2.607 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.603 3.859 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.762 3.347 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.230 2.466 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.242 2.434 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.875 1.039 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.150 0.916 1.190 1.00 0.00 H new ATOM 900 N VAL A 60 -7.415 1.240 5.267 1.00 0.00 N ATOM 901 CA VAL A 60 -8.714 0.532 5.460 1.00 0.00 C ATOM 902 C VAL A 60 -9.416 0.320 4.119 1.00 0.00 C ATOM 903 O VAL A 60 -10.221 1.122 3.690 1.00 0.00 O ATOM 904 CB VAL A 60 -9.614 1.349 6.384 1.00 0.00 C ATOM 905 CG1 VAL A 60 -8.912 1.550 7.728 1.00 0.00 C ATOM 906 CG2 VAL A 60 -9.903 2.711 5.751 1.00 0.00 C ATOM 0 H VAL A 60 -7.464 2.258 5.299 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.515 -0.441 5.909 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.553 0.817 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.553 2.133 8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.710 0.580 8.181 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.973 2.081 7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.546 3.291 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.966 3.246 5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.404 2.568 4.793 1.00 0.00 H new ATOM 916 N GLN A 61 -9.124 -0.768 3.467 1.00 0.00 N ATOM 917 CA GLN A 61 -9.776 -1.061 2.161 1.00 0.00 C ATOM 918 C GLN A 61 -11.132 -1.726 2.420 1.00 0.00 C ATOM 919 O GLN A 61 -11.264 -2.563 3.290 1.00 0.00 O ATOM 920 CB GLN A 61 -8.869 -1.991 1.337 1.00 0.00 C ATOM 921 CG GLN A 61 -9.151 -3.460 1.665 1.00 0.00 C ATOM 922 CD GLN A 61 -8.289 -4.348 0.768 1.00 0.00 C ATOM 923 OE1 GLN A 61 -7.638 -5.260 1.239 1.00 0.00 O ATOM 924 NE2 GLN A 61 -8.257 -4.116 -0.516 1.00 0.00 N ATOM 0 H GLN A 61 -8.457 -1.472 3.784 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.932 -0.139 1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.030 -1.814 0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.823 -1.762 1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.932 -3.660 2.714 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.207 -3.683 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.804 -3.350 -0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.685 -4.700 -1.126 1.00 0.00 H new ATOM 933 N THR A 62 -12.138 -1.359 1.679 1.00 0.00 N ATOM 934 CA THR A 62 -13.478 -1.972 1.896 1.00 0.00 C ATOM 935 C THR A 62 -13.736 -3.048 0.838 1.00 0.00 C ATOM 936 O THR A 62 -14.530 -2.867 -0.064 1.00 0.00 O ATOM 937 CB THR A 62 -14.552 -0.886 1.797 1.00 0.00 C ATOM 938 OG1 THR A 62 -14.761 -0.549 0.432 1.00 0.00 O ATOM 939 CG2 THR A 62 -14.095 0.352 2.572 1.00 0.00 C ATOM 0 H THR A 62 -12.092 -0.663 0.934 1.00 0.00 H new ATOM 0 HA THR A 62 -13.510 -2.431 2.884 1.00 0.00 H new ATOM 0 HB THR A 62 -15.485 -1.254 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 62 -15.205 -1.294 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.858 1.127 2.503 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.939 0.089 3.618 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.162 0.723 2.148 1.00 0.00 H new ATOM 947 N LYS A 63 -13.077 -4.169 0.945 1.00 0.00 N ATOM 948 CA LYS A 63 -13.292 -5.259 -0.048 1.00 0.00 C ATOM 949 C LYS A 63 -14.468 -6.127 0.408 1.00 0.00 C ATOM 950 O LYS A 63 -14.287 -7.143 1.049 1.00 0.00 O ATOM 951 CB LYS A 63 -12.028 -6.121 -0.146 1.00 0.00 C ATOM 952 CG LYS A 63 -12.324 -7.368 -0.983 1.00 0.00 C ATOM 953 CD LYS A 63 -11.120 -8.315 -0.937 1.00 0.00 C ATOM 954 CE LYS A 63 -11.515 -9.673 -1.520 1.00 0.00 C ATOM 955 NZ LYS A 63 -10.287 -10.467 -1.812 1.00 0.00 N ATOM 0 H LYS A 63 -12.399 -4.377 1.678 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.510 -4.827 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.219 -5.549 -0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.694 -6.410 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.211 -7.873 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.537 -7.084 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.290 -7.892 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.777 -8.435 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.150 -10.212 -0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.096 -9.534 -2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.556 -11.390 -2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.697 -9.954 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.750 -10.611 -0.933 1.00 0.00 H new ATOM 969 N GLY A 64 -15.672 -5.733 0.091 1.00 0.00 N ATOM 970 CA GLY A 64 -16.853 -6.538 0.514 1.00 0.00 C ATOM 971 C GLY A 64 -17.693 -6.905 -0.711 1.00 0.00 C ATOM 972 O GLY A 64 -17.770 -8.054 -1.100 1.00 0.00 O ATOM 0 H GLY A 64 -15.888 -4.890 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.524 -7.443 1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.456 -5.972 1.224 1.00 0.00 H new ATOM 976 N THR A 65 -18.325 -5.939 -1.321 1.00 0.00 N ATOM 977 CA THR A 65 -19.162 -6.234 -2.518 1.00 0.00 C ATOM 978 C THR A 65 -18.322 -6.071 -3.787 1.00 0.00 C ATOM 979 O THR A 65 -17.610 -5.101 -3.952 1.00 0.00 O ATOM 980 CB THR A 65 -20.345 -5.264 -2.565 1.00 0.00 C ATOM 981 OG1 THR A 65 -21.063 -5.454 -3.775 1.00 0.00 O ATOM 982 CG2 THR A 65 -19.831 -3.826 -2.494 1.00 0.00 C ATOM 0 H THR A 65 -18.298 -4.958 -1.042 1.00 0.00 H new ATOM 0 HA THR A 65 -19.530 -7.258 -2.456 1.00 0.00 H new ATOM 0 HB THR A 65 -21.004 -5.453 -1.718 1.00 0.00 H new ATOM 0 HG1 THR A 65 -21.822 -4.835 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 65 -20.674 -3.136 -2.528 1.00 0.00 H new ATOM 0 HG22 THR A 65 -19.281 -3.682 -1.564 1.00 0.00 H new ATOM 0 HG23 THR A 65 -19.171 -3.633 -3.340 1.00 0.00 H new ATOM 990 N GLY A 66 -18.401 -7.015 -4.685 1.00 0.00 N ATOM 991 CA GLY A 66 -17.609 -6.916 -5.944 1.00 0.00 C ATOM 992 C GLY A 66 -16.158 -6.563 -5.612 1.00 0.00 C ATOM 993 O GLY A 66 -15.432 -6.046 -6.438 1.00 0.00 O ATOM 0 H GLY A 66 -18.980 -7.851 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.649 -7.861 -6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.038 -6.156 -6.597 1.00 0.00 H new ATOM 997 N ALA A 67 -15.728 -6.842 -4.413 1.00 0.00 N ATOM 998 CA ALA A 67 -14.323 -6.528 -4.030 1.00 0.00 C ATOM 999 C ALA A 67 -13.939 -5.139 -4.551 1.00 0.00 C ATOM 1000 O ALA A 67 -13.017 -4.993 -5.329 1.00 0.00 O ATOM 1001 CB ALA A 67 -13.390 -7.575 -4.639 1.00 0.00 C ATOM 0 H ALA A 67 -16.290 -7.275 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.233 -6.540 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.360 -7.350 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.659 -8.563 -4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -13.485 -7.560 -5.725 1.00 0.00 H new ATOM 1007 N SER A 68 -14.634 -4.118 -4.128 1.00 0.00 N ATOM 1008 CA SER A 68 -14.300 -2.743 -4.600 1.00 0.00 C ATOM 1009 C SER A 68 -13.068 -2.232 -3.848 1.00 0.00 C ATOM 1010 O SER A 68 -12.230 -1.548 -4.401 1.00 0.00 O ATOM 1011 CB SER A 68 -15.482 -1.809 -4.338 1.00 0.00 C ATOM 1012 OG SER A 68 -15.808 -1.118 -5.537 1.00 0.00 O ATOM 0 H SER A 68 -15.417 -4.176 -3.477 1.00 0.00 H new ATOM 0 HA SER A 68 -14.090 -2.768 -5.669 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.342 -2.381 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.231 -1.098 -3.551 1.00 0.00 H new ATOM 0 HG SER A 68 -16.567 -0.519 -5.374 1.00 0.00 H new ATOM 1018 N GLY A 69 -12.952 -2.562 -2.591 1.00 0.00 N ATOM 1019 CA GLY A 69 -11.774 -2.100 -1.802 1.00 0.00 C ATOM 1020 C GLY A 69 -11.739 -0.571 -1.763 1.00 0.00 C ATOM 1021 O GLY A 69 -12.519 0.096 -2.414 1.00 0.00 O ATOM 0 H GLY A 69 -13.622 -3.132 -2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.826 -2.497 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.855 -2.482 -2.247 1.00 0.00 H new ATOM 1025 N SER A 70 -10.836 -0.012 -1.006 1.00 0.00 N ATOM 1026 CA SER A 70 -10.742 1.472 -0.922 1.00 0.00 C ATOM 1027 C SER A 70 -9.873 1.859 0.276 1.00 0.00 C ATOM 1028 O SER A 70 -10.363 2.087 1.363 1.00 0.00 O ATOM 1029 CB SER A 70 -12.140 2.066 -0.749 1.00 0.00 C ATOM 1030 OG SER A 70 -12.074 3.175 0.138 1.00 0.00 O ATOM 0 H SER A 70 -10.157 -0.521 -0.440 1.00 0.00 H new ATOM 0 HA SER A 70 -10.295 1.859 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.535 2.381 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.822 1.312 -0.356 1.00 0.00 H new ATOM 0 HG SER A 70 -11.847 2.861 1.038 1.00 0.00 H new ATOM 1036 N PHE A 71 -8.584 1.933 0.085 1.00 0.00 N ATOM 1037 CA PHE A 71 -7.689 2.304 1.222 1.00 0.00 C ATOM 1038 C PHE A 71 -7.806 3.801 1.499 1.00 0.00 C ATOM 1039 O PHE A 71 -7.324 4.629 0.752 1.00 0.00 O ATOM 1040 CB PHE A 71 -6.216 1.968 0.919 1.00 0.00 C ATOM 1041 CG PHE A 71 -6.108 1.103 -0.312 1.00 0.00 C ATOM 1042 CD1 PHE A 71 -6.839 -0.084 -0.385 1.00 0.00 C ATOM 1043 CD2 PHE A 71 -5.284 1.486 -1.376 1.00 0.00 C ATOM 1044 CE1 PHE A 71 -6.751 -0.894 -1.520 1.00 0.00 C ATOM 1045 CE2 PHE A 71 -5.194 0.676 -2.514 1.00 0.00 C ATOM 1046 CZ PHE A 71 -5.928 -0.514 -2.585 1.00 0.00 C ATOM 0 H PHE A 71 -8.113 1.754 -0.802 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.003 1.728 2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.651 2.888 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.773 1.453 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.474 -0.377 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.719 2.405 -1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.317 -1.812 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.559 0.969 -3.337 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.859 -1.139 -3.463 1.00 0.00 H new ATOM 1056 N ARG A 72 -8.416 4.143 2.592 1.00 0.00 N ATOM 1057 CA ARG A 72 -8.549 5.573 2.976 1.00 0.00 C ATOM 1058 C ARG A 72 -7.635 5.805 4.180 1.00 0.00 C ATOM 1059 O ARG A 72 -7.601 6.867 4.769 1.00 0.00 O ATOM 1060 CB ARG A 72 -10.005 5.852 3.352 1.00 0.00 C ATOM 1061 CG ARG A 72 -10.920 5.110 2.367 1.00 0.00 C ATOM 1062 CD ARG A 72 -11.927 6.073 1.724 1.00 0.00 C ATOM 1063 NE ARG A 72 -11.322 7.426 1.570 1.00 0.00 N ATOM 1064 CZ ARG A 72 -10.815 7.789 0.425 1.00 0.00 C ATOM 1065 NH1 ARG A 72 -9.697 7.260 0.011 1.00 0.00 N ATOM 1066 NH2 ARG A 72 -11.426 8.681 -0.308 1.00 0.00 N ATOM 0 H ARG A 72 -8.835 3.484 3.247 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.269 6.236 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.202 5.522 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.205 6.923 3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.318 4.636 1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.453 4.315 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.235 5.692 0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.824 6.136 2.340 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.304 8.069 2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.220 6.563 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.300 7.543 -0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.301 9.094 0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.028 8.964 -1.204 1.00 0.00 H new ATOM 1080 N LEU A 73 -6.906 4.780 4.539 1.00 0.00 N ATOM 1081 CA LEU A 73 -5.977 4.831 5.692 1.00 0.00 C ATOM 1082 C LEU A 73 -6.711 4.339 6.930 1.00 0.00 C ATOM 1083 O LEU A 73 -7.666 3.596 6.835 1.00 0.00 O ATOM 1084 CB LEU A 73 -5.421 6.241 5.928 1.00 0.00 C ATOM 1085 CG LEU A 73 -3.987 6.186 6.528 1.00 0.00 C ATOM 1086 CD1 LEU A 73 -3.523 4.750 6.815 1.00 0.00 C ATOM 1087 CD2 LEU A 73 -3.007 6.803 5.541 1.00 0.00 C ATOM 0 H LEU A 73 -6.922 3.881 4.058 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.123 4.189 5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.404 6.790 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.080 6.787 6.603 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.014 6.735 7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.516 4.769 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.203 4.284 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.520 4.176 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.000 6.767 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.033 6.245 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.285 7.840 5.353 1.00 0.00 H new ATOM 1099 N SER A 74 -6.272 4.712 8.093 1.00 0.00 N ATOM 1100 CA SER A 74 -6.952 4.213 9.308 1.00 0.00 C ATOM 1101 C SER A 74 -8.334 4.860 9.432 1.00 0.00 C ATOM 1102 O SER A 74 -9.342 4.185 9.494 1.00 0.00 O ATOM 1103 CB SER A 74 -6.112 4.545 10.541 1.00 0.00 C ATOM 1104 OG SER A 74 -6.185 3.465 11.463 1.00 0.00 O ATOM 0 H SER A 74 -5.480 5.334 8.253 1.00 0.00 H new ATOM 0 HA SER A 74 -7.070 3.132 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.076 4.723 10.253 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.475 5.461 11.007 1.00 0.00 H new ATOM 0 HG SER A 74 -5.646 3.674 12.254 1.00 0.00 H new ATOM 1110 N LYS A 75 -8.388 6.162 9.468 1.00 0.00 N ATOM 1111 CA LYS A 75 -9.705 6.848 9.589 1.00 0.00 C ATOM 1112 C LYS A 75 -10.120 7.402 8.224 1.00 0.00 C ATOM 1113 O LYS A 75 -9.323 7.313 7.304 1.00 0.00 O ATOM 1114 CB LYS A 75 -9.588 7.997 10.593 1.00 0.00 C ATOM 1115 CG LYS A 75 -8.270 8.739 10.368 1.00 0.00 C ATOM 1116 CD LYS A 75 -8.341 10.117 11.028 1.00 0.00 C ATOM 1117 CE LYS A 75 -7.172 10.979 10.545 1.00 0.00 C ATOM 1118 NZ LYS A 75 -6.167 11.110 11.637 1.00 0.00 N ATOM 1119 OXT LYS A 75 -11.226 7.904 8.122 1.00 0.00 O ATOM 0 H LYS A 75 -7.578 6.780 9.419 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.456 6.137 9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.428 8.682 10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.631 7.610 11.611 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.442 8.166 10.786 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.078 8.845 9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.287 10.600 10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.306 10.014 12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.713 10.528 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.531 11.964 10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.373 11.696 11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.610 11.559 12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.816 10.167 11.901 1.00 0.00 H new TER 1133 LYS A 75