USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 514 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 GLY N :NH3+ -109:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot -51:sc= 0.0914 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 51:sc= 0.677 USER MOD Single : A 6 SER OG : rot -21:sc= 0.523 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= -1.43 (180deg=-1.75) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -108:sc= -0.163 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 23 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.027) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 15:sc= -3.41! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.7 K(o=-0.7,f=0.5) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.142 USER MOD Single : A 59 ASN : amide:sc= -4.07 K(o=-4.1,f=-2.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 49.324 10.694 11.752 1.00 0.00 N ATOM 2 CA GLY A 1 48.976 12.139 11.632 1.00 0.00 C ATOM 3 C GLY A 1 48.493 12.432 10.210 1.00 0.00 C ATOM 4 O GLY A 1 48.480 11.561 9.360 1.00 0.00 O ATOM 0 H1 GLY A 1 48.615 10.214 12.342 1.00 0.00 H new ATOM 0 H2 GLY A 1 49.338 10.261 10.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 50.262 10.598 12.191 1.00 0.00 H new ATOM 0 HA2 GLY A 1 48.199 12.398 12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 1 49.845 12.754 11.866 1.00 0.00 H new ATOM 10 N SER A 2 48.097 13.651 9.949 1.00 0.00 N ATOM 11 CA SER A 2 47.612 14.012 8.583 1.00 0.00 C ATOM 12 C SER A 2 48.042 15.437 8.228 1.00 0.00 C ATOM 13 O SER A 2 47.372 16.129 7.484 1.00 0.00 O ATOM 14 CB SER A 2 46.090 13.916 8.666 1.00 0.00 C ATOM 15 OG SER A 2 45.552 13.841 7.352 1.00 0.00 O ATOM 0 H SER A 2 48.089 14.415 10.625 1.00 0.00 H new ATOM 0 HA SER A 2 48.020 13.357 7.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 45.800 13.036 9.241 1.00 0.00 H new ATOM 0 HB3 SER A 2 45.687 14.784 9.187 1.00 0.00 H new ATOM 0 HG SER A 2 45.916 14.570 6.807 1.00 0.00 H new ATOM 21 N MET A 3 49.157 15.878 8.756 1.00 0.00 N ATOM 22 CA MET A 3 49.640 17.258 8.455 1.00 0.00 C ATOM 23 C MET A 3 51.112 17.222 8.032 1.00 0.00 C ATOM 24 O MET A 3 51.870 18.129 8.319 1.00 0.00 O ATOM 25 CB MET A 3 49.477 18.029 9.766 1.00 0.00 C ATOM 26 CG MET A 3 48.130 18.752 9.768 1.00 0.00 C ATOM 27 SD MET A 3 47.945 19.679 11.313 1.00 0.00 S ATOM 28 CE MET A 3 47.691 21.309 10.571 1.00 0.00 C ATOM 0 H MET A 3 49.754 15.339 9.384 1.00 0.00 H new ATOM 0 HA MET A 3 49.086 17.721 7.638 1.00 0.00 H new ATOM 0 HB2 MET A 3 49.536 17.345 10.612 1.00 0.00 H new ATOM 0 HB3 MET A 3 50.288 18.748 9.881 1.00 0.00 H new ATOM 0 HG2 MET A 3 48.067 19.429 8.916 1.00 0.00 H new ATOM 0 HG3 MET A 3 47.318 18.032 9.664 1.00 0.00 H new ATOM 0 HE1 MET A 3 47.552 22.050 11.359 1.00 0.00 H new ATOM 0 HE2 MET A 3 48.561 21.575 9.971 1.00 0.00 H new ATOM 0 HE3 MET A 3 46.806 21.285 9.935 1.00 0.00 H new ATOM 38 N SER A 4 51.516 16.180 7.352 1.00 0.00 N ATOM 39 CA SER A 4 52.937 16.075 6.905 1.00 0.00 C ATOM 40 C SER A 4 53.016 16.119 5.377 1.00 0.00 C ATOM 41 O SER A 4 52.896 15.107 4.713 1.00 0.00 O ATOM 42 CB SER A 4 53.418 14.723 7.429 1.00 0.00 C ATOM 43 OG SER A 4 54.819 14.780 7.661 1.00 0.00 O ATOM 0 H SER A 4 50.921 15.395 7.086 1.00 0.00 H new ATOM 0 HA SER A 4 53.549 16.897 7.277 1.00 0.00 H new ATOM 0 HB2 SER A 4 52.895 14.471 8.352 1.00 0.00 H new ATOM 0 HB3 SER A 4 53.189 13.938 6.708 1.00 0.00 H new ATOM 0 HG SER A 4 55.130 13.914 7.999 1.00 0.00 H new ATOM 49 N THR A 5 53.215 17.286 4.818 1.00 0.00 N ATOM 50 CA THR A 5 53.304 17.406 3.332 1.00 0.00 C ATOM 51 C THR A 5 54.575 18.163 2.938 1.00 0.00 C ATOM 52 O THR A 5 54.680 19.359 3.133 1.00 0.00 O ATOM 53 CB THR A 5 52.060 18.197 2.925 1.00 0.00 C ATOM 54 OG1 THR A 5 52.003 19.405 3.671 1.00 0.00 O ATOM 55 CG2 THR A 5 50.808 17.363 3.203 1.00 0.00 C ATOM 0 H THR A 5 53.320 18.163 5.329 1.00 0.00 H new ATOM 0 HA THR A 5 53.349 16.434 2.840 1.00 0.00 H new ATOM 0 HB THR A 5 52.109 18.429 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 5 52.862 19.872 3.603 1.00 0.00 H new ATOM 0 HG21 THR A 5 49.922 17.928 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 5 50.852 16.438 2.629 1.00 0.00 H new ATOM 0 HG23 THR A 5 50.756 17.128 4.266 1.00 0.00 H new ATOM 63 N SER A 6 55.540 17.472 2.385 1.00 0.00 N ATOM 64 CA SER A 6 56.809 18.143 1.975 1.00 0.00 C ATOM 65 C SER A 6 57.551 17.289 0.945 1.00 0.00 C ATOM 66 O SER A 6 58.058 17.790 -0.041 1.00 0.00 O ATOM 67 CB SER A 6 57.626 18.265 3.260 1.00 0.00 C ATOM 68 OG SER A 6 56.914 19.064 4.194 1.00 0.00 O ATOM 0 H SER A 6 55.502 16.470 2.200 1.00 0.00 H new ATOM 0 HA SER A 6 56.631 19.114 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 6 57.816 17.277 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 6 58.597 18.712 3.046 1.00 0.00 H new ATOM 0 HG SER A 6 56.261 19.619 3.719 1.00 0.00 H new ATOM 74 N GLU A 7 57.617 16.005 1.172 1.00 0.00 N ATOM 75 CA GLU A 7 58.325 15.102 0.215 1.00 0.00 C ATOM 76 C GLU A 7 57.630 13.739 0.159 1.00 0.00 C ATOM 77 O GLU A 7 58.265 12.705 0.246 1.00 0.00 O ATOM 78 CB GLU A 7 59.739 14.960 0.777 1.00 0.00 C ATOM 79 CG GLU A 7 60.632 16.060 0.199 1.00 0.00 C ATOM 80 CD GLU A 7 60.834 15.820 -1.299 1.00 0.00 C ATOM 81 OE1 GLU A 7 61.322 14.757 -1.647 1.00 0.00 O ATOM 82 OE2 GLU A 7 60.497 16.703 -2.071 1.00 0.00 O ATOM 0 H GLU A 7 57.209 15.539 1.983 1.00 0.00 H new ATOM 0 HA GLU A 7 58.328 15.498 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 7 59.718 15.028 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 7 60.144 13.979 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 7 60.177 17.037 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 7 61.595 16.067 0.710 1.00 0.00 H new ATOM 89 N LEU A 8 56.329 13.733 0.014 1.00 0.00 N ATOM 90 CA LEU A 8 55.582 12.442 -0.049 1.00 0.00 C ATOM 91 C LEU A 8 55.537 11.927 -1.490 1.00 0.00 C ATOM 92 O LEU A 8 55.523 12.697 -2.432 1.00 0.00 O ATOM 93 CB LEU A 8 54.174 12.773 0.446 1.00 0.00 C ATOM 94 CG LEU A 8 53.526 11.513 1.023 1.00 0.00 C ATOM 95 CD1 LEU A 8 52.601 11.898 2.178 1.00 0.00 C ATOM 96 CD2 LEU A 8 52.714 10.813 -0.069 1.00 0.00 C ATOM 0 H LEU A 8 55.751 14.570 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 8 56.052 11.664 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.218 13.553 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 8 53.571 13.162 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 8 54.302 10.840 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 8 52.139 11.000 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 8 53.179 12.398 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 8 51.825 12.571 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.252 9.915 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 8 51.938 11.486 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.373 10.538 -0.893 1.00 0.00 H new ATOM 108 N LYS A 9 55.517 10.630 -1.666 1.00 0.00 N ATOM 109 CA LYS A 9 55.474 10.056 -3.044 1.00 0.00 C ATOM 110 C LYS A 9 55.162 8.558 -2.983 1.00 0.00 C ATOM 111 O LYS A 9 54.683 8.055 -1.984 1.00 0.00 O ATOM 112 CB LYS A 9 56.874 10.288 -3.615 1.00 0.00 C ATOM 113 CG LYS A 9 56.768 10.648 -5.098 1.00 0.00 C ATOM 114 CD LYS A 9 57.874 11.642 -5.463 1.00 0.00 C ATOM 115 CE LYS A 9 57.678 12.118 -6.904 1.00 0.00 C ATOM 116 NZ LYS A 9 57.986 13.575 -6.873 1.00 0.00 N ATOM 0 H LYS A 9 55.529 9.943 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 9 54.701 10.517 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 9 57.372 11.090 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 9 57.482 9.392 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 9 56.856 9.749 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 9 55.791 11.082 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 9 57.852 12.493 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 9 58.851 11.171 -5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 9 58.341 11.589 -7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 9 56.658 11.937 -7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 57.874 13.974 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 57.335 14.054 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 58.965 13.716 -6.552 1.00 0.00 H new ATOM 130 N LYS A 10 55.430 7.844 -4.048 1.00 0.00 N ATOM 131 CA LYS A 10 55.153 6.377 -4.063 1.00 0.00 C ATOM 132 C LYS A 10 56.380 5.604 -3.566 1.00 0.00 C ATOM 133 O LYS A 10 57.331 6.183 -3.077 1.00 0.00 O ATOM 134 CB LYS A 10 54.861 6.043 -5.528 1.00 0.00 C ATOM 135 CG LYS A 10 53.396 6.364 -5.850 1.00 0.00 C ATOM 136 CD LYS A 10 53.311 7.693 -6.608 1.00 0.00 C ATOM 137 CE LYS A 10 52.974 8.822 -5.631 1.00 0.00 C ATOM 138 NZ LYS A 10 53.772 9.988 -6.103 1.00 0.00 N ATOM 0 H LYS A 10 55.830 8.216 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 10 54.322 6.105 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.521 6.616 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 10 55.062 4.989 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.962 5.564 -6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.816 6.422 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.258 7.900 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.549 7.632 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 10 51.907 9.045 -5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 10 53.237 8.551 -4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.716 10.754 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.765 9.703 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.393 10.323 -7.012 1.00 0.00 H new ATOM 152 N VAL A 11 56.364 4.300 -3.697 1.00 0.00 N ATOM 153 CA VAL A 11 57.526 3.473 -3.239 1.00 0.00 C ATOM 154 C VAL A 11 57.573 2.165 -4.024 1.00 0.00 C ATOM 155 O VAL A 11 56.580 1.721 -4.564 1.00 0.00 O ATOM 156 CB VAL A 11 57.310 3.193 -1.746 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.545 4.477 -0.951 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.888 2.676 -1.496 1.00 0.00 C ATOM 0 H VAL A 11 55.593 3.770 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 11 58.470 3.993 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 11 58.016 2.428 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.392 4.281 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.566 4.823 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.845 5.244 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.753 2.483 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.166 3.424 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.733 1.753 -2.055 1.00 0.00 H new ATOM 168 N VAL A 12 58.724 1.550 -4.090 1.00 0.00 N ATOM 169 CA VAL A 12 58.860 0.275 -4.844 1.00 0.00 C ATOM 170 C VAL A 12 58.868 -0.901 -3.848 1.00 0.00 C ATOM 171 O VAL A 12 58.896 -0.704 -2.651 1.00 0.00 O ATOM 172 CB VAL A 12 60.214 0.440 -5.593 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.093 -0.819 -5.545 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.941 0.773 -7.053 1.00 0.00 C ATOM 0 H VAL A 12 59.582 1.882 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 12 58.048 0.068 -5.540 1.00 0.00 H new ATOM 0 HB VAL A 12 60.754 1.240 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.021 -0.635 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.320 -1.065 -4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.562 -1.651 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.887 0.890 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.367 -0.034 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.374 1.702 -7.114 1.00 0.00 H new ATOM 184 N ALA A 13 58.881 -2.112 -4.344 1.00 0.00 N ATOM 185 CA ALA A 13 58.934 -3.300 -3.442 1.00 0.00 C ATOM 186 C ALA A 13 60.322 -3.945 -3.557 1.00 0.00 C ATOM 187 O ALA A 13 60.924 -3.936 -4.615 1.00 0.00 O ATOM 188 CB ALA A 13 57.850 -4.243 -3.955 1.00 0.00 C ATOM 0 H ALA A 13 58.857 -2.329 -5.340 1.00 0.00 H new ATOM 0 HA ALA A 13 58.771 -3.050 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.829 -5.142 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.881 -3.746 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 13 58.064 -4.516 -4.988 1.00 0.00 H new ATOM 194 N LEU A 14 60.845 -4.484 -2.483 1.00 0.00 N ATOM 195 CA LEU A 14 62.209 -5.102 -2.543 1.00 0.00 C ATOM 196 C LEU A 14 62.145 -6.625 -2.389 1.00 0.00 C ATOM 197 O LEU A 14 62.943 -7.343 -2.964 1.00 0.00 O ATOM 198 CB LEU A 14 62.977 -4.480 -1.376 1.00 0.00 C ATOM 199 CG LEU A 14 63.090 -2.969 -1.584 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.734 -2.329 -0.352 1.00 0.00 C ATOM 201 CD2 LEU A 14 63.955 -2.685 -2.815 1.00 0.00 C ATOM 0 H LEU A 14 60.390 -4.524 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 14 62.687 -4.916 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.465 -4.691 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.970 -4.923 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 14 62.095 -2.550 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.814 -1.252 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.119 -2.529 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.728 -2.749 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.035 -1.608 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.949 -3.106 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.497 -3.139 -3.694 1.00 0.00 H new ATOM 213 N TYR A 15 61.216 -7.122 -1.616 1.00 0.00 N ATOM 214 CA TYR A 15 61.115 -8.602 -1.423 1.00 0.00 C ATOM 215 C TYR A 15 59.686 -9.079 -1.691 1.00 0.00 C ATOM 216 O TYR A 15 58.820 -8.301 -2.030 1.00 0.00 O ATOM 217 CB TYR A 15 61.493 -8.837 0.039 1.00 0.00 C ATOM 218 CG TYR A 15 62.977 -8.621 0.215 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.890 -9.435 -0.465 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.440 -7.605 1.061 1.00 0.00 C ATOM 221 CE1 TYR A 15 65.265 -9.235 -0.302 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.816 -7.405 1.225 1.00 0.00 C ATOM 223 CZ TYR A 15 65.728 -8.220 0.543 1.00 0.00 C ATOM 224 OH TYR A 15 67.084 -8.022 0.705 1.00 0.00 O ATOM 0 H TYR A 15 60.523 -6.570 -1.110 1.00 0.00 H new ATOM 0 HA TYR A 15 61.763 -9.151 -2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.936 -8.157 0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.224 -9.850 0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.533 -10.219 -1.117 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.736 -6.976 1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.969 -9.863 -0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.174 -6.622 1.877 1.00 0.00 H new ATOM 0 HH TYR A 15 67.234 -7.277 1.324 1.00 0.00 H new ATOM 234 N ASP A 16 59.440 -10.356 -1.537 1.00 0.00 N ATOM 235 CA ASP A 16 58.068 -10.893 -1.776 1.00 0.00 C ATOM 236 C ASP A 16 57.318 -11.027 -0.448 1.00 0.00 C ATOM 237 O ASP A 16 57.802 -11.639 0.485 1.00 0.00 O ATOM 238 CB ASP A 16 58.281 -12.267 -2.409 1.00 0.00 C ATOM 239 CG ASP A 16 58.584 -12.102 -3.899 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.790 -11.474 -4.579 1.00 0.00 O ATOM 241 OD2 ASP A 16 59.606 -12.607 -4.334 1.00 0.00 O ATOM 0 H ASP A 16 60.132 -11.050 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 16 57.475 -10.239 -2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 16 59.104 -12.783 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 16 57.392 -12.883 -2.274 1.00 0.00 H new ATOM 246 N TYR A 17 56.146 -10.451 -0.355 1.00 0.00 N ATOM 247 CA TYR A 17 55.366 -10.533 0.911 1.00 0.00 C ATOM 248 C TYR A 17 53.871 -10.355 0.603 1.00 0.00 C ATOM 249 O TYR A 17 53.443 -9.317 0.136 1.00 0.00 O ATOM 250 CB TYR A 17 55.933 -9.383 1.761 1.00 0.00 C ATOM 251 CG TYR A 17 55.075 -9.124 2.980 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.908 -8.360 2.863 1.00 0.00 C ATOM 253 CD2 TYR A 17 55.456 -9.635 4.225 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.120 -8.108 3.991 1.00 0.00 C ATOM 255 CE2 TYR A 17 54.669 -9.382 5.353 1.00 0.00 C ATOM 256 CZ TYR A 17 53.501 -8.618 5.237 1.00 0.00 C ATOM 257 OH TYR A 17 52.726 -8.370 6.352 1.00 0.00 O ATOM 0 H TYR A 17 55.697 -9.926 -1.106 1.00 0.00 H new ATOM 0 HA TYR A 17 55.450 -11.488 1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.949 -9.626 2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.993 -8.477 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 17 53.616 -7.965 1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 17 56.357 -10.224 4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 17 52.218 -7.520 3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 17 54.962 -9.776 6.315 1.00 0.00 H new ATOM 0 HH TYR A 17 53.188 -7.733 6.937 1.00 0.00 H new ATOM 267 N MET A 18 53.083 -11.371 0.854 1.00 0.00 N ATOM 268 CA MET A 18 51.618 -11.282 0.573 1.00 0.00 C ATOM 269 C MET A 18 50.821 -11.225 1.890 1.00 0.00 C ATOM 270 O MET A 18 51.307 -11.668 2.911 1.00 0.00 O ATOM 271 CB MET A 18 51.277 -12.556 -0.211 1.00 0.00 C ATOM 272 CG MET A 18 51.639 -13.800 0.616 1.00 0.00 C ATOM 273 SD MET A 18 53.163 -14.549 -0.020 1.00 0.00 S ATOM 274 CE MET A 18 52.397 -15.554 -1.316 1.00 0.00 C ATOM 0 H MET A 18 53.393 -12.261 1.243 1.00 0.00 H new ATOM 0 HA MET A 18 51.364 -10.383 0.012 1.00 0.00 H new ATOM 0 HB2 MET A 18 50.215 -12.569 -0.455 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.821 -12.567 -1.156 1.00 0.00 H new ATOM 0 HG2 MET A 18 51.769 -13.525 1.663 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.825 -14.523 0.575 1.00 0.00 H new ATOM 0 HE1 MET A 18 53.168 -16.112 -1.847 1.00 0.00 H new ATOM 0 HE2 MET A 18 51.690 -16.251 -0.866 1.00 0.00 H new ATOM 0 HE3 MET A 18 51.871 -14.905 -2.016 1.00 0.00 H new ATOM 284 N PRO A 19 49.618 -10.674 1.841 1.00 0.00 N ATOM 285 CA PRO A 19 48.789 -10.573 3.064 1.00 0.00 C ATOM 286 C PRO A 19 48.383 -11.960 3.571 1.00 0.00 C ATOM 287 O PRO A 19 48.465 -12.943 2.858 1.00 0.00 O ATOM 288 CB PRO A 19 47.564 -9.782 2.582 1.00 0.00 C ATOM 289 CG PRO A 19 47.744 -9.460 1.085 1.00 0.00 C ATOM 290 CD PRO A 19 49.026 -10.128 0.588 1.00 0.00 C ATOM 0 HA PRO A 19 49.308 -10.100 3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.654 -10.362 2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 19 47.458 -8.862 3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.886 -9.819 0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.798 -8.382 0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.818 -10.914 -0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.692 -9.415 0.103 1.00 0.00 H new ATOM 298 N MET A 20 47.941 -12.037 4.800 1.00 0.00 N ATOM 299 CA MET A 20 47.518 -13.350 5.374 1.00 0.00 C ATOM 300 C MET A 20 46.052 -13.276 5.802 1.00 0.00 C ATOM 301 O MET A 20 45.239 -14.092 5.410 1.00 0.00 O ATOM 302 CB MET A 20 48.419 -13.565 6.593 1.00 0.00 C ATOM 303 CG MET A 20 49.884 -13.586 6.154 1.00 0.00 C ATOM 304 SD MET A 20 50.834 -14.667 7.252 1.00 0.00 S ATOM 305 CE MET A 20 52.105 -13.464 7.711 1.00 0.00 C ATOM 0 H MET A 20 47.854 -11.243 5.434 1.00 0.00 H new ATOM 0 HA MET A 20 47.608 -14.166 4.657 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.259 -12.769 7.321 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.163 -14.503 7.085 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.960 -13.938 5.125 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.295 -12.577 6.177 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.813 -13.927 8.399 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.632 -13.132 6.816 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.637 -12.607 8.195 1.00 0.00 H new ATOM 315 N ASN A 21 45.716 -12.300 6.604 1.00 0.00 N ATOM 316 CA ASN A 21 44.303 -12.155 7.067 1.00 0.00 C ATOM 317 C ASN A 21 43.530 -11.230 6.119 1.00 0.00 C ATOM 318 O ASN A 21 42.808 -11.687 5.252 1.00 0.00 O ATOM 319 CB ASN A 21 44.403 -11.553 8.472 1.00 0.00 C ATOM 320 CG ASN A 21 44.647 -12.668 9.490 1.00 0.00 C ATOM 321 OD1 ASN A 21 45.696 -13.281 9.497 1.00 0.00 O ATOM 322 ND2 ASN A 21 43.716 -12.958 10.357 1.00 0.00 N ATOM 0 H ASN A 21 46.361 -11.594 6.960 1.00 0.00 H new ATOM 0 HA ASN A 21 43.768 -13.104 7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.215 -10.827 8.511 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.485 -11.018 8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 21 43.869 -13.699 11.041 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.835 -12.443 10.351 1.00 0.00 H new ATOM 329 N ALA A 22 43.674 -9.934 6.271 1.00 0.00 N ATOM 330 CA ALA A 22 42.948 -8.979 5.374 1.00 0.00 C ATOM 331 C ALA A 22 43.424 -7.545 5.616 1.00 0.00 C ATOM 332 O ALA A 22 42.662 -6.604 5.496 1.00 0.00 O ATOM 333 CB ALA A 22 41.471 -9.115 5.747 1.00 0.00 C ATOM 0 H ALA A 22 44.264 -9.496 6.979 1.00 0.00 H new ATOM 0 HA ALA A 22 43.127 -9.200 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.876 -8.443 5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.147 -10.142 5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.336 -8.857 6.797 1.00 0.00 H new ATOM 339 N ASN A 23 44.676 -7.373 5.953 1.00 0.00 N ATOM 340 CA ASN A 23 45.207 -5.999 6.201 1.00 0.00 C ATOM 341 C ASN A 23 46.458 -5.753 5.384 1.00 0.00 C ATOM 342 O ASN A 23 46.554 -4.804 4.634 1.00 0.00 O ATOM 343 CB ASN A 23 45.586 -5.962 7.672 1.00 0.00 C ATOM 344 CG ASN A 23 44.407 -5.457 8.505 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.046 -6.063 9.496 1.00 0.00 O ATOM 346 ND2 ASN A 23 43.785 -4.366 8.148 1.00 0.00 N ATOM 0 H ASN A 23 45.355 -8.126 6.067 1.00 0.00 H new ATOM 0 HA ASN A 23 44.467 -5.246 5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.877 -6.958 8.006 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.449 -5.312 7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 23 42.998 -4.024 8.700 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.086 -3.856 7.317 1.00 0.00 H new ATOM 353 N ASP A 24 47.438 -6.589 5.579 1.00 0.00 N ATOM 354 CA ASP A 24 48.742 -6.422 4.880 1.00 0.00 C ATOM 355 C ASP A 24 48.561 -6.147 3.379 1.00 0.00 C ATOM 356 O ASP A 24 47.660 -6.663 2.746 1.00 0.00 O ATOM 357 CB ASP A 24 49.480 -7.739 5.106 1.00 0.00 C ATOM 358 CG ASP A 24 50.073 -7.752 6.515 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.559 -6.718 6.941 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.031 -8.795 7.145 1.00 0.00 O ATOM 0 H ASP A 24 47.390 -7.394 6.203 1.00 0.00 H new ATOM 0 HA ASP A 24 49.292 -5.564 5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.796 -8.578 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.271 -7.857 4.365 1.00 0.00 H new ATOM 365 N LEU A 25 49.414 -5.328 2.817 1.00 0.00 N ATOM 366 CA LEU A 25 49.305 -4.998 1.367 1.00 0.00 C ATOM 367 C LEU A 25 50.329 -5.803 0.564 1.00 0.00 C ATOM 368 O LEU A 25 51.358 -6.196 1.079 1.00 0.00 O ATOM 369 CB LEU A 25 49.613 -3.500 1.277 1.00 0.00 C ATOM 370 CG LEU A 25 49.158 -2.973 -0.090 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.638 -2.792 -0.091 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.829 -1.626 -0.377 1.00 0.00 C ATOM 0 H LEU A 25 50.185 -4.872 3.305 1.00 0.00 H new ATOM 0 HA LEU A 25 48.322 -5.238 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.102 -2.963 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.681 -3.327 1.410 1.00 0.00 H new ATOM 0 HG LEU A 25 49.441 -3.690 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.317 -2.418 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.157 -3.750 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.356 -2.079 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.502 -1.257 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.551 -0.909 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.912 -1.753 -0.382 1.00 0.00 H new ATOM 384 N GLN A 26 50.058 -6.044 -0.693 1.00 0.00 N ATOM 385 CA GLN A 26 51.021 -6.818 -1.535 1.00 0.00 C ATOM 386 C GLN A 26 52.342 -6.057 -1.641 1.00 0.00 C ATOM 387 O GLN A 26 52.395 -4.956 -2.152 1.00 0.00 O ATOM 388 CB GLN A 26 50.357 -6.935 -2.909 1.00 0.00 C ATOM 389 CG GLN A 26 49.293 -8.034 -2.870 1.00 0.00 C ATOM 390 CD GLN A 26 49.932 -9.377 -3.229 1.00 0.00 C ATOM 391 OE1 GLN A 26 50.326 -10.127 -2.358 1.00 0.00 O ATOM 392 NE2 GLN A 26 50.051 -9.714 -4.484 1.00 0.00 N ATOM 0 H GLN A 26 49.212 -5.739 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 26 51.244 -7.798 -1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 26 49.903 -5.984 -3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 26 51.105 -7.165 -3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.845 -8.086 -1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.490 -7.803 -3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 26 49.720 -9.084 -5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 26 50.475 -10.607 -4.734 1.00 0.00 H new ATOM 401 N LEU A 27 53.403 -6.640 -1.152 1.00 0.00 N ATOM 402 CA LEU A 27 54.738 -5.970 -1.205 1.00 0.00 C ATOM 403 C LEU A 27 55.683 -6.759 -2.089 1.00 0.00 C ATOM 404 O LEU A 27 56.876 -6.809 -1.873 1.00 0.00 O ATOM 405 CB LEU A 27 55.199 -6.006 0.224 1.00 0.00 C ATOM 406 CG LEU A 27 54.488 -4.903 0.989 1.00 0.00 C ATOM 407 CD1 LEU A 27 54.092 -5.415 2.377 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.423 -3.702 1.125 1.00 0.00 C ATOM 0 H LEU A 27 53.404 -7.561 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 27 54.700 -4.961 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.980 -6.977 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 27 56.279 -5.868 0.277 1.00 0.00 H new ATOM 0 HG LEU A 27 53.589 -4.603 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 27 53.582 -4.623 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 27 53.426 -6.271 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 27 54.986 -5.716 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.917 -2.907 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.322 -4.000 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.698 -3.341 0.134 1.00 0.00 H new ATOM 420 N ARG A 28 55.131 -7.378 -3.072 1.00 0.00 N ATOM 421 CA ARG A 28 55.943 -8.210 -4.019 1.00 0.00 C ATOM 422 C ARG A 28 57.045 -7.368 -4.672 1.00 0.00 C ATOM 423 O ARG A 28 56.787 -6.356 -5.290 1.00 0.00 O ATOM 424 CB ARG A 28 54.951 -8.697 -5.075 1.00 0.00 C ATOM 425 CG ARG A 28 55.654 -9.662 -6.031 1.00 0.00 C ATOM 426 CD ARG A 28 55.059 -9.518 -7.434 1.00 0.00 C ATOM 427 NE ARG A 28 56.224 -9.610 -8.357 1.00 0.00 N ATOM 428 CZ ARG A 28 56.051 -10.002 -9.590 1.00 0.00 C ATOM 429 NH1 ARG A 28 55.096 -9.482 -10.311 1.00 0.00 N ATOM 430 NH2 ARG A 28 56.833 -10.914 -10.100 1.00 0.00 N ATOM 0 H ARG A 28 54.132 -7.352 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 28 56.439 -9.036 -3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.108 -9.194 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 28 54.548 -7.849 -5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 28 56.723 -9.452 -6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 28 55.538 -10.687 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 28 54.331 -10.304 -7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.540 -8.566 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 28 57.157 -9.367 -8.026 1.00 0.00 H new ATOM 0 HH11 ARG A 28 54.485 -8.770 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 28 54.960 -9.788 -11.275 1.00 0.00 H new ATOM 0 HH21 ARG A 28 57.579 -11.320 -9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 28 56.698 -11.221 -11.063 1.00 0.00 H new ATOM 444 N LYS A 29 58.276 -7.787 -4.520 1.00 0.00 N ATOM 445 CA LYS A 29 59.435 -7.028 -5.101 1.00 0.00 C ATOM 446 C LYS A 29 59.207 -6.677 -6.578 1.00 0.00 C ATOM 447 O LYS A 29 58.655 -7.448 -7.338 1.00 0.00 O ATOM 448 CB LYS A 29 60.640 -7.966 -4.947 1.00 0.00 C ATOM 449 CG LYS A 29 61.900 -7.295 -5.503 1.00 0.00 C ATOM 450 CD LYS A 29 63.049 -8.305 -5.529 1.00 0.00 C ATOM 451 CE LYS A 29 62.994 -9.107 -6.831 1.00 0.00 C ATOM 452 NZ LYS A 29 63.804 -10.329 -6.565 1.00 0.00 N ATOM 0 H LYS A 29 58.534 -8.633 -4.012 1.00 0.00 H new ATOM 0 HA LYS A 29 59.580 -6.075 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.785 -8.216 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.453 -8.901 -5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.710 -6.918 -6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.170 -6.437 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 29 64.005 -7.787 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.977 -8.976 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.968 -9.363 -7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.403 -8.536 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.814 -10.931 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.778 -10.054 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.387 -10.856 -5.772 1.00 0.00 H new ATOM 466 N GLY A 30 59.637 -5.504 -6.973 1.00 0.00 N ATOM 467 CA GLY A 30 59.467 -5.062 -8.387 1.00 0.00 C ATOM 468 C GLY A 30 58.192 -4.230 -8.512 1.00 0.00 C ATOM 469 O GLY A 30 58.126 -3.301 -9.296 1.00 0.00 O ATOM 0 H GLY A 30 60.103 -4.829 -6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.329 -4.474 -8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.414 -5.929 -9.046 1.00 0.00 H new ATOM 473 N ASP A 31 57.184 -4.550 -7.742 1.00 0.00 N ATOM 474 CA ASP A 31 55.918 -3.778 -7.807 1.00 0.00 C ATOM 475 C ASP A 31 56.020 -2.554 -6.899 1.00 0.00 C ATOM 476 O ASP A 31 56.527 -2.633 -5.794 1.00 0.00 O ATOM 477 CB ASP A 31 54.834 -4.734 -7.308 1.00 0.00 C ATOM 478 CG ASP A 31 54.105 -5.353 -8.503 1.00 0.00 C ATOM 479 OD1 ASP A 31 54.778 -5.852 -9.390 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.885 -5.316 -8.510 1.00 0.00 O ATOM 0 H ASP A 31 57.188 -5.317 -7.070 1.00 0.00 H new ATOM 0 HA ASP A 31 55.698 -3.419 -8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.280 -5.518 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.126 -4.199 -6.675 1.00 0.00 H new ATOM 485 N GLU A 32 55.546 -1.427 -7.356 1.00 0.00 N ATOM 486 CA GLU A 32 55.614 -0.191 -6.519 1.00 0.00 C ATOM 487 C GLU A 32 54.197 0.172 -6.078 1.00 0.00 C ATOM 488 O GLU A 32 53.231 -0.229 -6.703 1.00 0.00 O ATOM 489 CB GLU A 32 56.224 0.925 -7.396 1.00 0.00 C ATOM 490 CG GLU A 32 57.244 0.368 -8.405 1.00 0.00 C ATOM 491 CD GLU A 32 56.536 0.050 -9.724 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.732 0.861 -10.153 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.811 -0.999 -10.284 1.00 0.00 O ATOM 0 H GLU A 32 55.114 -1.307 -8.272 1.00 0.00 H new ATOM 0 HA GLU A 32 56.227 -0.332 -5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.428 1.442 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.710 1.663 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.039 1.094 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.713 -0.531 -8.006 1.00 0.00 H new ATOM 500 N TYR A 33 54.055 0.877 -4.985 1.00 0.00 N ATOM 501 CA TYR A 33 52.689 1.202 -4.484 1.00 0.00 C ATOM 502 C TYR A 33 52.531 2.701 -4.222 1.00 0.00 C ATOM 503 O TYR A 33 53.368 3.507 -4.582 1.00 0.00 O ATOM 504 CB TYR A 33 52.557 0.424 -3.166 1.00 0.00 C ATOM 505 CG TYR A 33 53.123 -0.978 -3.312 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.649 -1.819 -4.325 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.136 -1.416 -2.453 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.186 -3.102 -4.475 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.676 -2.698 -2.606 1.00 0.00 C ATOM 510 CZ TYR A 33 54.200 -3.542 -3.617 1.00 0.00 C ATOM 511 OH TYR A 33 54.733 -4.806 -3.771 1.00 0.00 O ATOM 0 H TYR A 33 54.823 1.240 -4.421 1.00 0.00 H new ATOM 0 HA TYR A 33 51.924 0.933 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.083 0.953 -2.371 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.508 0.370 -2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.870 -1.478 -4.990 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.501 -0.765 -1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.818 -3.753 -5.254 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.460 -3.036 -1.944 1.00 0.00 H new ATOM 0 HH TYR A 33 54.475 -5.165 -4.646 1.00 0.00 H new ATOM 521 N PHE A 34 51.450 3.066 -3.583 1.00 0.00 N ATOM 522 CA PHE A 34 51.191 4.503 -3.266 1.00 0.00 C ATOM 523 C PHE A 34 51.167 4.706 -1.751 1.00 0.00 C ATOM 524 O PHE A 34 50.446 4.031 -1.042 1.00 0.00 O ATOM 525 CB PHE A 34 49.818 4.800 -3.860 1.00 0.00 C ATOM 526 CG PHE A 34 49.977 5.296 -5.278 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.407 4.419 -6.281 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.697 6.631 -5.588 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.557 4.879 -7.595 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.847 7.091 -6.902 1.00 0.00 C ATOM 531 CZ PHE A 34 50.276 6.215 -7.905 1.00 0.00 C ATOM 0 H PHE A 34 50.727 2.422 -3.263 1.00 0.00 H new ATOM 0 HA PHE A 34 51.961 5.161 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.202 3.901 -3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.304 5.549 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.623 3.388 -6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.365 7.307 -4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.889 4.203 -8.369 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.632 8.122 -7.141 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.390 6.570 -8.919 1.00 0.00 H new ATOM 541 N ILE A 35 51.955 5.624 -1.254 1.00 0.00 N ATOM 542 CA ILE A 35 52.000 5.865 0.222 1.00 0.00 C ATOM 543 C ILE A 35 51.005 6.948 0.646 1.00 0.00 C ATOM 544 O ILE A 35 51.006 8.050 0.130 1.00 0.00 O ATOM 545 CB ILE A 35 53.433 6.326 0.515 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.446 5.286 0.014 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.615 6.527 2.023 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.203 3.932 0.687 1.00 0.00 C ATOM 0 H ILE A 35 52.571 6.219 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 35 51.730 4.964 0.773 1.00 0.00 H new ATOM 0 HB ILE A 35 53.607 7.268 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.363 5.181 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.460 5.627 0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.635 6.854 2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.914 7.283 2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.426 5.587 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.930 3.208 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.310 4.038 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.196 3.585 0.454 1.00 0.00 H new ATOM 560 N LEU A 36 50.180 6.638 1.609 1.00 0.00 N ATOM 561 CA LEU A 36 49.193 7.631 2.119 1.00 0.00 C ATOM 562 C LEU A 36 49.590 8.057 3.540 1.00 0.00 C ATOM 563 O LEU A 36 49.287 9.149 3.982 1.00 0.00 O ATOM 564 CB LEU A 36 47.854 6.893 2.132 1.00 0.00 C ATOM 565 CG LEU A 36 47.392 6.648 0.694 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.903 5.288 0.218 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.863 6.664 0.642 1.00 0.00 C ATOM 0 H LEU A 36 50.148 5.728 2.069 1.00 0.00 H new ATOM 0 HA LEU A 36 49.146 8.532 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 36 47.955 5.944 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.109 7.479 2.670 1.00 0.00 H new ATOM 0 HG LEU A 36 47.787 7.431 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.574 5.114 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.992 5.275 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.508 4.504 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.532 6.490 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.469 5.881 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.498 7.633 0.981 1.00 0.00 H new ATOM 579 N GLU A 37 50.276 7.195 4.253 1.00 0.00 N ATOM 580 CA GLU A 37 50.716 7.518 5.645 1.00 0.00 C ATOM 581 C GLU A 37 51.633 6.400 6.149 1.00 0.00 C ATOM 582 O GLU A 37 51.393 5.237 5.882 1.00 0.00 O ATOM 583 CB GLU A 37 49.431 7.574 6.476 1.00 0.00 C ATOM 584 CG GLU A 37 49.542 8.694 7.513 1.00 0.00 C ATOM 585 CD GLU A 37 49.579 10.047 6.802 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.540 10.469 6.319 1.00 0.00 O ATOM 587 OE2 GLU A 37 50.644 10.639 6.752 1.00 0.00 O ATOM 0 H GLU A 37 50.552 6.270 3.924 1.00 0.00 H new ATOM 0 HA GLU A 37 51.267 8.456 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 37 48.573 7.749 5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.265 6.618 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 37 48.695 8.655 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.443 8.561 8.112 1.00 0.00 H new ATOM 594 N GLU A 38 52.684 6.733 6.859 1.00 0.00 N ATOM 595 CA GLU A 38 53.610 5.666 7.355 1.00 0.00 C ATOM 596 C GLU A 38 53.259 5.230 8.779 1.00 0.00 C ATOM 597 O GLU A 38 54.065 4.641 9.472 1.00 0.00 O ATOM 598 CB GLU A 38 55.014 6.278 7.296 1.00 0.00 C ATOM 599 CG GLU A 38 55.076 7.532 8.177 1.00 0.00 C ATOM 600 CD GLU A 38 56.453 7.625 8.838 1.00 0.00 C ATOM 601 OE1 GLU A 38 56.950 6.600 9.274 1.00 0.00 O ATOM 602 OE2 GLU A 38 56.987 8.720 8.897 1.00 0.00 O ATOM 0 H GLU A 38 52.939 7.687 7.115 1.00 0.00 H new ATOM 0 HA GLU A 38 53.536 4.766 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.752 5.550 7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.265 6.534 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 38 54.889 8.421 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 38 54.297 7.493 8.939 1.00 0.00 H new ATOM 609 N SER A 39 52.052 5.494 9.198 1.00 0.00 N ATOM 610 CA SER A 39 51.583 5.089 10.571 1.00 0.00 C ATOM 611 C SER A 39 52.645 5.324 11.663 1.00 0.00 C ATOM 612 O SER A 39 52.647 4.658 12.677 1.00 0.00 O ATOM 613 CB SER A 39 51.286 3.597 10.442 1.00 0.00 C ATOM 614 OG SER A 39 50.130 3.417 9.635 1.00 0.00 O ATOM 0 H SER A 39 51.351 5.983 8.641 1.00 0.00 H new ATOM 0 HA SER A 39 50.722 5.683 10.878 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.138 3.082 9.998 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.127 3.159 11.428 1.00 0.00 H new ATOM 0 HG SER A 39 49.937 2.460 9.548 1.00 0.00 H new ATOM 620 N ASN A 40 53.544 6.263 11.471 1.00 0.00 N ATOM 621 CA ASN A 40 54.604 6.531 12.504 1.00 0.00 C ATOM 622 C ASN A 40 55.350 5.236 12.883 1.00 0.00 C ATOM 623 O ASN A 40 55.921 5.133 13.952 1.00 0.00 O ATOM 624 CB ASN A 40 53.856 7.092 13.717 1.00 0.00 C ATOM 625 CG ASN A 40 54.837 7.844 14.619 1.00 0.00 C ATOM 626 OD1 ASN A 40 55.610 7.238 15.333 1.00 0.00 O ATOM 627 ND2 ASN A 40 54.838 9.148 14.615 1.00 0.00 N ATOM 0 H ASN A 40 53.591 6.857 10.643 1.00 0.00 H new ATOM 0 HA ASN A 40 55.358 7.224 12.131 1.00 0.00 H new ATOM 0 HB2 ASN A 40 53.061 7.761 13.389 1.00 0.00 H new ATOM 0 HB3 ASN A 40 53.383 6.282 14.272 1.00 0.00 H new ATOM 0 HD21 ASN A 40 55.488 9.659 15.212 1.00 0.00 H new ATOM 0 HD22 ASN A 40 54.189 9.657 14.015 1.00 0.00 H new ATOM 634 N LEU A 41 55.351 4.258 12.010 1.00 0.00 N ATOM 635 CA LEU A 41 56.064 2.972 12.304 1.00 0.00 C ATOM 636 C LEU A 41 56.489 2.300 10.975 1.00 0.00 C ATOM 637 O LEU A 41 55.998 2.681 9.931 1.00 0.00 O ATOM 638 CB LEU A 41 55.068 2.109 13.116 1.00 0.00 C ATOM 639 CG LEU A 41 53.693 2.018 12.432 1.00 0.00 C ATOM 640 CD1 LEU A 41 53.589 0.698 11.674 1.00 0.00 C ATOM 641 CD2 LEU A 41 52.592 2.062 13.498 1.00 0.00 C ATOM 0 H LEU A 41 54.887 4.294 11.102 1.00 0.00 H new ATOM 0 HA LEU A 41 56.979 3.117 12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 41 55.477 1.107 13.243 1.00 0.00 H new ATOM 0 HB3 LEU A 41 54.950 2.534 14.113 1.00 0.00 H new ATOM 0 HG LEU A 41 53.578 2.853 11.741 1.00 0.00 H new ATOM 0 HD11 LEU A 41 52.615 0.633 11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.374 0.649 10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.704 -0.132 12.371 1.00 0.00 H new ATOM 0 HD21 LEU A 41 51.616 1.998 13.016 1.00 0.00 H new ATOM 0 HD22 LEU A 41 52.715 1.223 14.183 1.00 0.00 H new ATOM 0 HD23 LEU A 41 52.661 2.997 14.054 1.00 0.00 H new ATOM 653 N PRO A 42 57.414 1.341 11.027 1.00 0.00 N ATOM 654 CA PRO A 42 57.906 0.674 9.782 1.00 0.00 C ATOM 655 C PRO A 42 56.768 0.278 8.827 1.00 0.00 C ATOM 656 O PRO A 42 56.833 0.557 7.644 1.00 0.00 O ATOM 657 CB PRO A 42 58.651 -0.548 10.331 1.00 0.00 C ATOM 658 CG PRO A 42 58.581 -0.513 11.871 1.00 0.00 C ATOM 659 CD PRO A 42 58.018 0.850 12.296 1.00 0.00 C ATOM 0 HA PRO A 42 58.531 1.326 9.172 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.203 -1.467 9.952 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.689 -0.539 9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 42 57.946 -1.318 12.241 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.571 -0.665 12.300 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.278 0.757 13.091 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.798 1.518 12.663 1.00 0.00 H new ATOM 667 N TRP A 43 55.732 -0.348 9.317 1.00 0.00 N ATOM 668 CA TRP A 43 54.602 -0.735 8.414 1.00 0.00 C ATOM 669 C TRP A 43 53.764 0.510 8.111 1.00 0.00 C ATOM 670 O TRP A 43 53.348 1.209 9.014 1.00 0.00 O ATOM 671 CB TRP A 43 53.775 -1.741 9.214 1.00 0.00 C ATOM 672 CG TRP A 43 54.593 -2.946 9.526 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.402 -3.051 10.589 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.685 -4.210 8.808 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.001 -4.298 10.580 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.588 -5.051 9.498 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.081 -4.705 7.637 1.00 0.00 C ATOM 678 CZ2 TRP A 43 55.883 -6.338 9.046 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.375 -5.999 7.178 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.274 -6.813 7.882 1.00 0.00 C ATOM 0 H TRP A 43 55.616 -0.608 10.296 1.00 0.00 H new ATOM 0 HA TRP A 43 54.942 -1.156 7.468 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.424 -1.281 10.138 1.00 0.00 H new ATOM 0 HB3 TRP A 43 52.891 -2.030 8.646 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.561 -2.285 11.333 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.665 -4.621 11.284 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.387 -4.086 7.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.576 -6.961 9.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 53.906 -6.369 6.278 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.496 -7.808 7.524 1.00 0.00 H new ATOM 691 N TRP A 44 53.521 0.812 6.857 1.00 0.00 N ATOM 692 CA TRP A 44 52.721 2.033 6.544 1.00 0.00 C ATOM 693 C TRP A 44 51.309 1.646 6.126 1.00 0.00 C ATOM 694 O TRP A 44 50.874 0.537 6.328 1.00 0.00 O ATOM 695 CB TRP A 44 53.432 2.691 5.362 1.00 0.00 C ATOM 696 CG TRP A 44 54.873 2.970 5.653 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.426 3.202 6.869 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.948 3.062 4.690 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.783 3.435 6.699 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.150 3.357 5.367 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.982 2.917 3.298 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.354 3.505 4.677 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.181 3.060 2.598 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.371 3.355 3.284 1.00 0.00 C ATOM 0 H TRP A 44 53.837 0.274 6.050 1.00 0.00 H new ATOM 0 HA TRP A 44 52.645 2.694 7.408 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.358 2.042 4.489 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.927 3.623 5.110 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.899 3.205 7.812 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.430 3.638 7.461 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.072 2.692 2.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.264 3.733 5.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.194 2.943 1.524 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.297 3.466 2.739 1.00 0.00 H new ATOM 715 N ARG A 45 50.612 2.558 5.509 1.00 0.00 N ATOM 716 CA ARG A 45 49.242 2.268 5.017 1.00 0.00 C ATOM 717 C ARG A 45 49.188 2.710 3.553 1.00 0.00 C ATOM 718 O ARG A 45 48.559 3.692 3.209 1.00 0.00 O ATOM 719 CB ARG A 45 48.305 3.110 5.883 1.00 0.00 C ATOM 720 CG ARG A 45 46.924 2.452 5.932 1.00 0.00 C ATOM 721 CD ARG A 45 45.916 3.426 6.545 1.00 0.00 C ATOM 722 NE ARG A 45 44.619 2.693 6.531 1.00 0.00 N ATOM 723 CZ ARG A 45 43.732 2.918 7.463 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.938 2.487 8.677 1.00 0.00 N ATOM 725 NH2 ARG A 45 42.640 3.574 7.179 1.00 0.00 N ATOM 0 H ARG A 45 50.941 3.505 5.323 1.00 0.00 H new ATOM 0 HA ARG A 45 48.963 1.216 5.077 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.710 3.204 6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.225 4.118 5.476 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.608 2.169 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.966 1.537 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.202 3.704 7.559 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.855 4.348 5.967 1.00 0.00 H new ATOM 0 HE ARG A 45 44.424 2.016 5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.792 1.974 8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.245 2.663 9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 45 42.480 3.911 6.230 1.00 0.00 H new ATOM 0 HH22 ARG A 45 41.947 3.750 7.906 1.00 0.00 H new ATOM 739 N ALA A 46 49.889 2.007 2.702 1.00 0.00 N ATOM 740 CA ALA A 46 49.942 2.386 1.260 1.00 0.00 C ATOM 741 C ALA A 46 49.021 1.487 0.436 1.00 0.00 C ATOM 742 O ALA A 46 48.583 0.450 0.895 1.00 0.00 O ATOM 743 CB ALA A 46 51.415 2.178 0.860 1.00 0.00 C ATOM 0 H ALA A 46 50.432 1.179 2.948 1.00 0.00 H new ATOM 0 HA ALA A 46 49.609 3.409 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.546 2.434 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.052 2.817 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.691 1.135 1.016 1.00 0.00 H new ATOM 749 N ARG A 47 48.726 1.879 -0.778 1.00 0.00 N ATOM 750 CA ARG A 47 47.836 1.046 -1.638 1.00 0.00 C ATOM 751 C ARG A 47 48.612 0.532 -2.847 1.00 0.00 C ATOM 752 O ARG A 47 49.494 1.195 -3.356 1.00 0.00 O ATOM 753 CB ARG A 47 46.714 1.977 -2.085 1.00 0.00 C ATOM 754 CG ARG A 47 45.719 2.160 -0.940 1.00 0.00 C ATOM 755 CD ARG A 47 45.058 3.537 -1.051 1.00 0.00 C ATOM 756 NE ARG A 47 43.768 3.288 -1.752 1.00 0.00 N ATOM 757 CZ ARG A 47 43.197 4.247 -2.427 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.363 5.057 -1.832 1.00 0.00 N ATOM 759 NH2 ARG A 47 43.459 4.397 -3.697 1.00 0.00 N ATOM 0 H ARG A 47 49.064 2.740 -1.209 1.00 0.00 H new ATOM 0 HA ARG A 47 47.450 0.176 -1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.124 2.942 -2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.209 1.563 -2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.961 1.377 -0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.230 2.067 0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.894 3.977 -0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.684 4.232 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 47 43.331 2.368 -1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.158 4.940 -0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.916 5.807 -2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.110 3.764 -4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 47 43.012 5.147 -4.225 1.00 0.00 H new ATOM 773 N ASP A 48 48.289 -0.647 -3.307 1.00 0.00 N ATOM 774 CA ASP A 48 49.006 -1.216 -4.482 1.00 0.00 C ATOM 775 C ASP A 48 48.316 -0.800 -5.787 1.00 0.00 C ATOM 776 O ASP A 48 47.582 0.170 -5.829 1.00 0.00 O ATOM 777 CB ASP A 48 48.946 -2.735 -4.277 1.00 0.00 C ATOM 778 CG ASP A 48 47.491 -3.230 -4.283 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.598 -2.417 -4.096 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.296 -4.418 -4.477 1.00 0.00 O ATOM 0 H ASP A 48 47.557 -1.241 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 48 50.033 -0.859 -4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.508 -3.235 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.420 -2.998 -3.331 1.00 0.00 H new ATOM 785 N LYS A 49 48.553 -1.526 -6.849 1.00 0.00 N ATOM 786 CA LYS A 49 47.922 -1.179 -8.162 1.00 0.00 C ATOM 787 C LYS A 49 46.444 -1.594 -8.195 1.00 0.00 C ATOM 788 O LYS A 49 45.708 -1.195 -9.077 1.00 0.00 O ATOM 789 CB LYS A 49 48.718 -1.965 -9.206 1.00 0.00 C ATOM 790 CG LYS A 49 50.077 -1.294 -9.424 1.00 0.00 C ATOM 791 CD LYS A 49 50.498 -1.459 -10.886 1.00 0.00 C ATOM 792 CE LYS A 49 50.049 -0.235 -11.688 1.00 0.00 C ATOM 793 NZ LYS A 49 51.139 0.763 -11.508 1.00 0.00 N ATOM 0 H LYS A 49 49.158 -2.347 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 49 47.944 -0.105 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.858 -2.994 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.166 -2.006 -10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.017 -0.236 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.824 -1.739 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 49 51.580 -1.574 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.055 -2.363 -11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.910 -0.482 -12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 49 49.097 0.150 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 50.904 1.632 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 51.244 0.984 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 52.031 0.372 -11.872 1.00 0.00 H new ATOM 807 N ASN A 50 46.003 -2.392 -7.248 1.00 0.00 N ATOM 808 CA ASN A 50 44.578 -2.830 -7.237 1.00 0.00 C ATOM 809 C ASN A 50 43.693 -1.831 -6.475 1.00 0.00 C ATOM 810 O ASN A 50 42.565 -2.135 -6.136 1.00 0.00 O ATOM 811 CB ASN A 50 44.590 -4.182 -6.526 1.00 0.00 C ATOM 812 CG ASN A 50 44.889 -5.290 -7.539 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.139 -5.492 -8.474 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.960 -6.020 -7.391 1.00 0.00 N ATOM 0 H ASN A 50 46.573 -2.756 -6.484 1.00 0.00 H new ATOM 0 HA ASN A 50 44.168 -2.892 -8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.342 -4.183 -5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.627 -4.362 -6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.169 -6.761 -8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.589 -5.850 -6.606 1.00 0.00 H new ATOM 821 N GLY A 51 44.189 -0.645 -6.203 1.00 0.00 N ATOM 822 CA GLY A 51 43.369 0.363 -5.465 1.00 0.00 C ATOM 823 C GLY A 51 43.007 -0.178 -4.079 1.00 0.00 C ATOM 824 O GLY A 51 41.988 0.175 -3.515 1.00 0.00 O ATOM 0 H GLY A 51 45.126 -0.335 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.924 1.296 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.462 0.589 -6.026 1.00 0.00 H new ATOM 828 N GLN A 52 43.834 -1.032 -3.530 1.00 0.00 N ATOM 829 CA GLN A 52 43.544 -1.599 -2.179 1.00 0.00 C ATOM 830 C GLN A 52 44.614 -1.157 -1.180 1.00 0.00 C ATOM 831 O GLN A 52 45.798 -1.269 -1.437 1.00 0.00 O ATOM 832 CB GLN A 52 43.583 -3.116 -2.371 1.00 0.00 C ATOM 833 CG GLN A 52 42.186 -3.621 -2.735 1.00 0.00 C ATOM 834 CD GLN A 52 42.030 -5.071 -2.273 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.787 -5.933 -2.673 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.073 -5.379 -1.441 1.00 0.00 N ATOM 0 H GLN A 52 44.698 -1.361 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 52 42.585 -1.262 -1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.291 -3.375 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.930 -3.600 -1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.428 -2.995 -2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 52 42.033 -3.553 -3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.437 -4.656 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.961 -6.343 -1.127 1.00 0.00 H new ATOM 845 N GLU A 53 44.205 -0.657 -0.042 1.00 0.00 N ATOM 846 CA GLU A 53 45.196 -0.204 0.983 1.00 0.00 C ATOM 847 C GLU A 53 45.540 -1.355 1.935 1.00 0.00 C ATOM 848 O GLU A 53 44.741 -2.247 2.154 1.00 0.00 O ATOM 849 CB GLU A 53 44.510 0.941 1.742 1.00 0.00 C ATOM 850 CG GLU A 53 43.206 0.449 2.384 1.00 0.00 C ATOM 851 CD GLU A 53 43.063 1.049 3.786 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.275 2.243 3.922 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.745 0.304 4.698 1.00 0.00 O ATOM 0 H GLU A 53 43.227 -0.542 0.223 1.00 0.00 H new ATOM 0 HA GLU A 53 46.131 0.122 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.178 1.328 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.299 1.764 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.355 0.736 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.206 -0.639 2.442 1.00 0.00 H new ATOM 860 N GLY A 54 46.719 -1.337 2.502 1.00 0.00 N ATOM 861 CA GLY A 54 47.119 -2.423 3.443 1.00 0.00 C ATOM 862 C GLY A 54 48.349 -1.966 4.218 1.00 0.00 C ATOM 863 O GLY A 54 48.559 -0.783 4.387 1.00 0.00 O ATOM 0 H GLY A 54 47.423 -0.614 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.302 -2.649 4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.337 -3.339 2.893 1.00 0.00 H new ATOM 867 N TYR A 55 49.167 -2.877 4.693 1.00 0.00 N ATOM 868 CA TYR A 55 50.374 -2.444 5.456 1.00 0.00 C ATOM 869 C TYR A 55 51.649 -2.583 4.613 1.00 0.00 C ATOM 870 O TYR A 55 51.731 -3.414 3.732 1.00 0.00 O ATOM 871 CB TYR A 55 50.436 -3.341 6.694 1.00 0.00 C ATOM 872 CG TYR A 55 49.322 -2.966 7.643 1.00 0.00 C ATOM 873 CD1 TYR A 55 47.991 -3.241 7.307 1.00 0.00 C ATOM 874 CD2 TYR A 55 49.622 -2.342 8.860 1.00 0.00 C ATOM 875 CE1 TYR A 55 46.960 -2.891 8.188 1.00 0.00 C ATOM 876 CE2 TYR A 55 48.592 -1.993 9.741 1.00 0.00 C ATOM 877 CZ TYR A 55 47.261 -2.268 9.405 1.00 0.00 C ATOM 878 OH TYR A 55 46.245 -1.923 10.272 1.00 0.00 O ATOM 0 H TYR A 55 49.051 -3.885 4.586 1.00 0.00 H new ATOM 0 HA TYR A 55 50.306 -1.391 5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.344 -4.387 6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.401 -3.231 7.188 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.759 -3.723 6.369 1.00 0.00 H new ATOM 0 HD2 TYR A 55 50.649 -2.130 9.119 1.00 0.00 H new ATOM 0 HE1 TYR A 55 45.933 -3.102 7.929 1.00 0.00 H new ATOM 0 HE2 TYR A 55 48.824 -1.512 10.680 1.00 0.00 H new ATOM 0 HH TYR A 55 46.625 -1.501 11.070 1.00 0.00 H new ATOM 888 N ILE A 56 52.637 -1.753 4.874 1.00 0.00 N ATOM 889 CA ILE A 56 53.913 -1.798 4.081 1.00 0.00 C ATOM 890 C ILE A 56 55.151 -1.591 4.988 1.00 0.00 C ATOM 891 O ILE A 56 55.375 -0.484 5.438 1.00 0.00 O ATOM 892 CB ILE A 56 53.794 -0.605 3.117 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.602 -0.817 2.176 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.091 -0.435 2.296 1.00 0.00 C ATOM 895 CD1 ILE A 56 52.841 -2.052 1.314 1.00 0.00 C ATOM 0 H ILE A 56 52.614 -1.043 5.606 1.00 0.00 H new ATOM 0 HA ILE A 56 54.043 -2.759 3.583 1.00 0.00 H new ATOM 0 HB ILE A 56 53.636 0.301 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.686 -0.937 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.466 0.060 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.985 0.414 1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.929 -0.260 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.276 -1.339 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 56 51.992 -2.200 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 56 53.747 -1.914 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 56 52.955 -2.926 1.955 1.00 0.00 H new ATOM 907 N PRO A 57 55.956 -2.626 5.199 1.00 0.00 N ATOM 908 CA PRO A 57 57.182 -2.451 6.017 1.00 0.00 C ATOM 909 C PRO A 57 58.125 -1.472 5.305 1.00 0.00 C ATOM 910 O PRO A 57 58.447 -1.645 4.144 1.00 0.00 O ATOM 911 CB PRO A 57 57.772 -3.864 6.061 1.00 0.00 C ATOM 912 CG PRO A 57 56.855 -4.808 5.261 1.00 0.00 C ATOM 913 CD PRO A 57 55.702 -3.991 4.665 1.00 0.00 C ATOM 0 HA PRO A 57 57.007 -2.045 7.013 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.777 -3.867 5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.858 -4.205 7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.419 -5.299 4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.465 -5.594 5.908 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.715 -4.008 3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.731 -4.374 4.978 1.00 0.00 H new ATOM 921 N SER A 58 58.550 -0.435 5.982 1.00 0.00 N ATOM 922 CA SER A 58 59.452 0.576 5.339 1.00 0.00 C ATOM 923 C SER A 58 60.711 -0.080 4.767 1.00 0.00 C ATOM 924 O SER A 58 61.301 0.417 3.825 1.00 0.00 O ATOM 925 CB SER A 58 59.821 1.552 6.457 1.00 0.00 C ATOM 926 OG SER A 58 60.892 2.379 6.023 1.00 0.00 O ATOM 0 H SER A 58 58.312 -0.242 6.955 1.00 0.00 H new ATOM 0 HA SER A 58 58.960 1.071 4.502 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.958 2.163 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.110 1.004 7.354 1.00 0.00 H new ATOM 0 HG SER A 58 61.130 3.007 6.737 1.00 0.00 H new ATOM 932 N ASN A 59 61.129 -1.183 5.327 1.00 0.00 N ATOM 933 CA ASN A 59 62.355 -1.868 4.818 1.00 0.00 C ATOM 934 C ASN A 59 62.039 -2.638 3.535 1.00 0.00 C ATOM 935 O ASN A 59 62.830 -2.702 2.614 1.00 0.00 O ATOM 936 CB ASN A 59 62.766 -2.817 5.956 1.00 0.00 C ATOM 937 CG ASN A 59 61.762 -3.970 6.106 1.00 0.00 C ATOM 938 OD1 ASN A 59 61.894 -4.993 5.463 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.760 -3.844 6.932 1.00 0.00 N ATOM 0 H ASN A 59 60.674 -1.641 6.117 1.00 0.00 H new ATOM 0 HA ASN A 59 63.154 -1.172 4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.759 -3.219 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.829 -2.262 6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.088 -4.604 7.038 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.649 -2.986 7.472 1.00 0.00 H new ATOM 946 N TYR A 60 60.886 -3.238 3.497 1.00 0.00 N ATOM 947 CA TYR A 60 60.481 -4.043 2.302 1.00 0.00 C ATOM 948 C TYR A 60 60.316 -3.168 1.051 1.00 0.00 C ATOM 949 O TYR A 60 60.508 -3.637 -0.054 1.00 0.00 O ATOM 950 CB TYR A 60 59.141 -4.677 2.685 1.00 0.00 C ATOM 951 CG TYR A 60 59.362 -6.101 3.144 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.663 -6.364 4.486 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.266 -7.155 2.229 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.869 -7.682 4.912 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.472 -8.473 2.655 1.00 0.00 C ATOM 956 CZ TYR A 60 59.773 -8.736 3.995 1.00 0.00 C ATOM 957 OH TYR A 60 59.975 -10.035 4.415 1.00 0.00 O ATOM 0 H TYR A 60 60.196 -3.208 4.247 1.00 0.00 H new ATOM 0 HA TYR A 60 61.241 -4.783 2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.668 -4.099 3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.463 -4.661 1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.736 -5.550 5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.033 -6.952 1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.102 -7.885 5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.398 -9.287 1.948 1.00 0.00 H new ATOM 0 HH TYR A 60 59.871 -10.645 3.655 1.00 0.00 H new ATOM 967 N VAL A 61 59.952 -1.914 1.201 1.00 0.00 N ATOM 968 CA VAL A 61 59.770 -1.049 -0.012 1.00 0.00 C ATOM 969 C VAL A 61 60.809 0.073 -0.070 1.00 0.00 C ATOM 970 O VAL A 61 61.533 0.320 0.876 1.00 0.00 O ATOM 971 CB VAL A 61 58.365 -0.453 0.096 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.331 -1.576 0.040 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.218 0.309 1.415 1.00 0.00 C ATOM 0 H VAL A 61 59.775 -1.458 2.096 1.00 0.00 H new ATOM 0 HA VAL A 61 59.897 -1.639 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 61 58.205 0.236 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.330 -1.153 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.427 -2.112 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.498 -2.266 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.215 0.729 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.383 -0.373 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.952 1.114 1.454 1.00 0.00 H new ATOM 983 N THR A 62 60.871 0.759 -1.185 1.00 0.00 N ATOM 984 CA THR A 62 61.841 1.882 -1.338 1.00 0.00 C ATOM 985 C THR A 62 61.167 3.032 -2.117 1.00 0.00 C ATOM 986 O THR A 62 60.021 3.347 -1.869 1.00 0.00 O ATOM 987 CB THR A 62 63.026 1.273 -2.104 1.00 0.00 C ATOM 988 OG1 THR A 62 64.035 2.258 -2.268 1.00 0.00 O ATOM 989 CG2 THR A 62 62.567 0.778 -3.478 1.00 0.00 C ATOM 0 H THR A 62 60.285 0.585 -2.001 1.00 0.00 H new ATOM 0 HA THR A 62 62.173 2.307 -0.391 1.00 0.00 H new ATOM 0 HB THR A 62 63.422 0.430 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.793 1.872 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.415 0.349 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.795 0.019 -3.352 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.164 1.614 -4.050 1.00 0.00 H new ATOM 997 N GLU A 63 61.852 3.658 -3.046 1.00 0.00 N ATOM 998 CA GLU A 63 61.224 4.773 -3.820 1.00 0.00 C ATOM 999 C GLU A 63 60.540 4.221 -5.074 1.00 0.00 C ATOM 1000 O GLU A 63 61.067 3.359 -5.749 1.00 0.00 O ATOM 1001 CB GLU A 63 62.382 5.697 -4.199 1.00 0.00 C ATOM 1002 CG GLU A 63 61.837 6.925 -4.932 1.00 0.00 C ATOM 1003 CD GLU A 63 62.980 7.631 -5.664 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.386 7.137 -6.703 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.429 8.653 -5.173 1.00 0.00 O ATOM 0 H GLU A 63 62.816 3.444 -3.300 1.00 0.00 H new ATOM 0 HA GLU A 63 60.460 5.298 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 63 62.923 6.005 -3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 63 63.092 5.167 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.066 6.626 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.369 7.607 -4.222 1.00 0.00 H new ATOM 1012 N ALA A 64 59.363 4.708 -5.386 1.00 0.00 N ATOM 1013 CA ALA A 64 58.620 4.211 -6.592 1.00 0.00 C ATOM 1014 C ALA A 64 59.515 4.228 -7.840 1.00 0.00 C ATOM 1015 O ALA A 64 60.636 4.701 -7.803 1.00 0.00 O ATOM 1016 CB ALA A 64 57.445 5.174 -6.769 1.00 0.00 C ATOM 0 H ALA A 64 58.881 5.433 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 64 58.292 3.180 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.855 4.873 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.819 5.152 -5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.823 6.185 -6.922 1.00 0.00 H new ATOM 1022 N GLU A 65 59.025 3.713 -8.939 1.00 0.00 N ATOM 1023 CA GLU A 65 59.837 3.694 -10.193 1.00 0.00 C ATOM 1024 C GLU A 65 58.947 3.994 -11.402 1.00 0.00 C ATOM 1025 O GLU A 65 59.215 3.549 -12.503 1.00 0.00 O ATOM 1026 CB GLU A 65 60.399 2.275 -10.278 1.00 0.00 C ATOM 1027 CG GLU A 65 61.794 2.240 -9.651 1.00 0.00 C ATOM 1028 CD GLU A 65 62.313 0.800 -9.642 1.00 0.00 C ATOM 1029 OE1 GLU A 65 62.027 0.082 -10.587 1.00 0.00 O ATOM 1030 OE2 GLU A 65 62.988 0.440 -8.691 1.00 0.00 O ATOM 0 H GLU A 65 58.094 3.304 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 65 60.627 4.445 -10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 65 59.739 1.579 -9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.448 1.954 -11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 65 62.474 2.879 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.757 2.631 -8.634 1.00 0.00 H new ATOM 1037 N ASP A 66 57.894 4.744 -11.204 1.00 0.00 N ATOM 1038 CA ASP A 66 56.980 5.079 -12.338 1.00 0.00 C ATOM 1039 C ASP A 66 56.973 6.590 -12.583 1.00 0.00 C ATOM 1040 O ASP A 66 55.929 7.204 -12.694 1.00 0.00 O ATOM 1041 CB ASP A 66 55.599 4.601 -11.885 1.00 0.00 C ATOM 1042 CG ASP A 66 54.587 4.823 -13.012 1.00 0.00 C ATOM 1043 OD1 ASP A 66 54.721 4.176 -14.037 1.00 0.00 O ATOM 1044 OD2 ASP A 66 53.697 5.638 -12.830 1.00 0.00 O ATOM 0 H ASP A 66 57.626 5.140 -10.303 1.00 0.00 H new ATOM 0 HA ASP A 66 57.288 4.609 -13.272 1.00 0.00 H new ATOM 0 HB2 ASP A 66 55.637 3.545 -11.619 1.00 0.00 H new ATOM 0 HB3 ASP A 66 55.290 5.144 -10.992 1.00 0.00 H new ATOM 1049 N SER A 67 58.133 7.190 -12.668 1.00 0.00 N ATOM 1050 CA SER A 67 58.206 8.663 -12.907 1.00 0.00 C ATOM 1051 C SER A 67 59.229 8.972 -14.003 1.00 0.00 C ATOM 1052 O SER A 67 59.853 8.039 -14.483 1.00 0.00 O ATOM 1053 CB SER A 67 58.653 9.258 -11.572 1.00 0.00 C ATOM 1054 OG SER A 67 59.848 8.614 -11.148 1.00 0.00 O ATOM 1055 OXT SER A 67 59.372 10.135 -14.342 1.00 0.00 O ATOM 0 H SER A 67 59.035 6.722 -12.582 1.00 0.00 H new ATOM 0 HA SER A 67 57.253 9.075 -13.239 1.00 0.00 H new ATOM 0 HB2 SER A 67 58.821 10.330 -11.676 1.00 0.00 H new ATOM 0 HB3 SER A 67 57.871 9.129 -10.823 1.00 0.00 H new ATOM 0 HG SER A 67 60.139 8.994 -10.293 1.00 0.00 H new TER 1061 SER A 67