USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 474 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 7 THR OG1 : rot -147:sc= -2.49! USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0619) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -79:sc= 0.831 USER MOD Single : A 60 MET CE :methyl 180:sc= -0.051 (180deg=-0.051) USER MOD Single : A 62 MET CE :methyl 176:sc= -2.49! (180deg=-2.7) USER MOD Single : A 66 THR OG1 : rot 87:sc= 0.281 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 161:sc= -0.136 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -5.133 8.973 -4.996 1.00 0.00 N ATOM 110 CA THR A 7 -5.225 7.495 -5.142 1.00 0.00 C ATOM 111 C THR A 7 -6.015 6.921 -3.952 1.00 0.00 C ATOM 112 O THR A 7 -6.345 7.639 -3.030 1.00 0.00 O ATOM 113 CB THR A 7 -3.789 6.921 -5.200 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.685 6.007 -6.283 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.412 6.213 -3.889 1.00 0.00 C ATOM 0 HA THR A 7 -5.749 7.221 -6.058 1.00 0.00 H new ATOM 0 HB THR A 7 -3.098 7.752 -5.345 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.055 5.294 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.397 5.822 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.466 6.923 -3.064 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.105 5.391 -3.707 1.00 0.00 H new ATOM 123 N PRO A 8 -6.278 5.640 -4.007 1.00 0.00 N ATOM 124 CA PRO A 8 -7.012 4.934 -2.940 1.00 0.00 C ATOM 125 C PRO A 8 -6.087 4.722 -1.735 1.00 0.00 C ATOM 126 O PRO A 8 -4.937 5.109 -1.773 1.00 0.00 O ATOM 127 CB PRO A 8 -7.415 3.609 -3.604 1.00 0.00 C ATOM 128 CG PRO A 8 -6.449 3.396 -4.791 1.00 0.00 C ATOM 129 CD PRO A 8 -5.861 4.775 -5.133 1.00 0.00 C ATOM 0 HA PRO A 8 -7.878 5.474 -2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.345 2.784 -2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.449 3.647 -3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.659 2.693 -4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.975 2.976 -5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.775 4.734 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.245 5.146 -6.083 1.00 0.00 H new ATOM 137 N PRO A 9 -6.606 4.126 -0.691 1.00 0.00 N ATOM 138 CA PRO A 9 -5.817 3.876 0.527 1.00 0.00 C ATOM 139 C PRO A 9 -4.763 2.796 0.276 1.00 0.00 C ATOM 140 O PRO A 9 -5.051 1.729 -0.228 1.00 0.00 O ATOM 141 CB PRO A 9 -6.864 3.438 1.557 1.00 0.00 C ATOM 142 CG PRO A 9 -8.086 2.946 0.749 1.00 0.00 C ATOM 143 CD PRO A 9 -8.002 3.639 -0.625 1.00 0.00 C ATOM 0 HA PRO A 9 -5.256 4.747 0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.474 2.645 2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.138 4.267 2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.069 1.862 0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.016 3.201 1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.222 2.946 -1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.716 4.459 -0.704 1.00 0.00 H new ATOM 151 N ALA A 10 -3.535 3.088 0.614 1.00 0.00 N ATOM 152 CA ALA A 10 -2.430 2.113 0.392 1.00 0.00 C ATOM 153 C ALA A 10 -2.903 0.693 0.711 1.00 0.00 C ATOM 154 O ALA A 10 -2.700 -0.223 -0.062 1.00 0.00 O ATOM 155 CB ALA A 10 -1.254 2.476 1.302 1.00 0.00 C ATOM 0 H ALA A 10 -3.249 3.970 1.039 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.120 2.153 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.441 1.767 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.908 3.482 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.574 2.437 2.343 1.00 0.00 H new ATOM 161 N ALA A 11 -3.526 0.494 1.838 1.00 0.00 N ATOM 162 CA ALA A 11 -3.999 -0.873 2.190 1.00 0.00 C ATOM 163 C ALA A 11 -4.822 -1.443 1.032 1.00 0.00 C ATOM 164 O ALA A 11 -4.505 -2.483 0.489 1.00 0.00 O ATOM 165 CB ALA A 11 -4.861 -0.815 3.452 1.00 0.00 C ATOM 0 H ALA A 11 -3.728 1.217 2.529 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.138 -1.515 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.204 -1.818 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.272 -0.415 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.722 -0.171 3.275 1.00 0.00 H new ATOM 171 N VAL A 12 -5.875 -0.773 0.647 1.00 0.00 N ATOM 172 CA VAL A 12 -6.704 -1.285 -0.480 1.00 0.00 C ATOM 173 C VAL A 12 -5.861 -1.295 -1.757 1.00 0.00 C ATOM 174 O VAL A 12 -5.640 -2.328 -2.358 1.00 0.00 O ATOM 175 CB VAL A 12 -7.926 -0.381 -0.675 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.701 -0.831 -1.915 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.834 -0.483 0.552 1.00 0.00 C ATOM 0 H VAL A 12 -6.195 0.102 1.062 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.042 -2.297 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.598 0.650 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.570 -0.188 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.056 -0.764 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.029 -1.862 -1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.704 0.159 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.161 -1.515 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.285 -0.166 1.438 1.00 0.00 H new ATOM 187 N LEU A 13 -5.378 -0.153 -2.173 1.00 0.00 N ATOM 188 CA LEU A 13 -4.539 -0.103 -3.404 1.00 0.00 C ATOM 189 C LEU A 13 -3.537 -1.249 -3.370 1.00 0.00 C ATOM 190 O LEU A 13 -3.417 -2.020 -4.302 1.00 0.00 O ATOM 191 CB LEU A 13 -3.780 1.221 -3.449 1.00 0.00 C ATOM 192 CG LEU A 13 -3.456 1.585 -4.899 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.663 2.894 -4.933 1.00 0.00 C ATOM 194 CD2 LEU A 13 -2.620 0.470 -5.533 1.00 0.00 C ATOM 0 H LEU A 13 -5.529 0.745 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.176 -0.190 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.378 2.009 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.860 1.143 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.385 1.706 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.432 3.153 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.256 3.690 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.735 2.772 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.390 0.730 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.692 0.348 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.182 -0.464 -5.511 1.00 0.00 H new ATOM 206 N LEU A 14 -2.826 -1.368 -2.291 1.00 0.00 N ATOM 207 CA LEU A 14 -1.833 -2.466 -2.168 1.00 0.00 C ATOM 208 C LEU A 14 -2.587 -3.792 -2.149 1.00 0.00 C ATOM 209 O LEU A 14 -2.199 -4.750 -2.793 1.00 0.00 O ATOM 210 CB LEU A 14 -1.051 -2.304 -0.862 1.00 0.00 C ATOM 211 CG LEU A 14 -0.111 -1.103 -0.971 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.061 -0.369 0.371 1.00 0.00 C ATOM 213 CD2 LEU A 14 1.293 -1.585 -1.338 1.00 0.00 C ATOM 0 H LEU A 14 -2.889 -0.749 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.136 -2.440 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.740 -2.165 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.479 -3.208 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.477 -0.426 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.609 0.487 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.061 -0.024 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.304 -1.046 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.963 -0.729 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.658 -2.263 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.260 -2.108 -2.294 1.00 0.00 H new ATOM 225 N LYS A 15 -3.675 -3.844 -1.427 1.00 0.00 N ATOM 226 CA LYS A 15 -4.475 -5.096 -1.369 1.00 0.00 C ATOM 227 C LYS A 15 -4.881 -5.490 -2.790 1.00 0.00 C ATOM 228 O LYS A 15 -4.599 -6.576 -3.254 1.00 0.00 O ATOM 229 CB LYS A 15 -5.734 -4.870 -0.531 1.00 0.00 C ATOM 230 CG LYS A 15 -6.382 -6.220 -0.218 1.00 0.00 C ATOM 231 CD LYS A 15 -7.689 -6.000 0.544 1.00 0.00 C ATOM 232 CE LYS A 15 -8.771 -5.520 -0.424 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.307 -6.680 -1.189 1.00 0.00 N ATOM 0 H LYS A 15 -4.043 -3.070 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.879 -5.888 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.481 -4.352 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.435 -4.234 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.576 -6.764 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.702 -6.832 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.002 -6.927 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.542 -5.264 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.575 -5.032 0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.358 -4.779 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.161 -6.390 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.589 -7.012 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.545 -7.450 -0.531 1.00 0.00 H new ATOM 247 N LYS A 16 -5.536 -4.616 -3.495 1.00 0.00 N ATOM 248 CA LYS A 16 -5.935 -4.962 -4.880 1.00 0.00 C ATOM 249 C LYS A 16 -4.683 -5.059 -5.735 1.00 0.00 C ATOM 250 O LYS A 16 -4.563 -5.901 -6.602 1.00 0.00 O ATOM 251 CB LYS A 16 -6.866 -3.885 -5.443 1.00 0.00 C ATOM 252 CG LYS A 16 -8.247 -4.484 -5.707 1.00 0.00 C ATOM 253 CD LYS A 16 -9.257 -3.356 -5.928 1.00 0.00 C ATOM 254 CE LYS A 16 -9.283 -2.975 -7.409 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.635 -2.461 -7.766 1.00 0.00 N ATOM 0 H LYS A 16 -5.810 -3.687 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.464 -5.915 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.947 -3.057 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.452 -3.480 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.213 -5.133 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.555 -5.102 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.249 -3.674 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.988 -2.490 -5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.528 -2.216 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.038 -3.842 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.653 -2.202 -8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.346 -3.199 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.851 -1.623 -7.189 1.00 0.00 H new ATOM 269 N ALA A 17 -3.745 -4.201 -5.485 1.00 0.00 N ATOM 270 CA ALA A 17 -2.483 -4.235 -6.268 1.00 0.00 C ATOM 271 C ALA A 17 -1.746 -5.552 -5.998 1.00 0.00 C ATOM 272 O ALA A 17 -2.003 -6.558 -6.629 1.00 0.00 O ATOM 273 CB ALA A 17 -1.597 -3.054 -5.862 1.00 0.00 C ATOM 0 H ALA A 17 -3.795 -3.474 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.713 -4.164 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.671 -3.079 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.122 -2.120 -6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.366 -3.121 -4.799 1.00 0.00 H new ATOM 279 N ALA A 18 -0.825 -5.550 -5.072 1.00 0.00 N ATOM 280 CA ALA A 18 -0.063 -6.793 -4.764 1.00 0.00 C ATOM 281 C ALA A 18 -0.813 -7.646 -3.737 1.00 0.00 C ATOM 282 O ALA A 18 -0.396 -8.739 -3.410 1.00 0.00 O ATOM 283 CB ALA A 18 1.311 -6.419 -4.201 1.00 0.00 C ATOM 0 H ALA A 18 -0.567 -4.736 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 18 0.052 -7.369 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.871 -7.326 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.858 -5.830 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.184 -5.834 -3.290 1.00 0.00 H new ATOM 289 N GLY A 19 -1.902 -7.160 -3.208 1.00 0.00 N ATOM 290 CA GLY A 19 -2.640 -7.959 -2.191 1.00 0.00 C ATOM 291 C GLY A 19 -3.137 -9.261 -2.811 1.00 0.00 C ATOM 292 O GLY A 19 -3.442 -10.198 -2.110 1.00 0.00 O ATOM 0 H GLY A 19 -2.310 -6.253 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.989 -8.175 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.483 -7.385 -1.807 1.00 0.00 H new ATOM 447 N LYS A 31 -1.028 -11.390 6.450 1.00 0.00 N ATOM 448 CA LYS A 31 -0.088 -11.415 5.291 1.00 0.00 C ATOM 449 C LYS A 31 -0.678 -12.275 4.169 1.00 0.00 C ATOM 450 O LYS A 31 -0.945 -13.446 4.349 1.00 0.00 O ATOM 451 CB LYS A 31 1.251 -12.009 5.737 1.00 0.00 C ATOM 452 CG LYS A 31 1.674 -11.378 7.066 1.00 0.00 C ATOM 453 CD LYS A 31 2.153 -12.472 8.022 1.00 0.00 C ATOM 454 CE LYS A 31 2.551 -11.848 9.360 1.00 0.00 C ATOM 455 NZ LYS A 31 3.674 -12.627 9.957 1.00 0.00 N ATOM 0 HA LYS A 31 0.065 -10.399 4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.162 -13.090 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.012 -11.828 4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.470 -10.652 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.837 -10.837 7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.363 -13.208 8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.002 -13.001 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.851 -10.810 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.698 -11.841 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.945 -12.203 10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.372 -13.610 10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.489 -12.611 9.311 1.00 0.00 H new ATOM 469 N VAL A 32 -0.886 -11.704 3.010 1.00 0.00 N ATOM 470 CA VAL A 32 -1.458 -12.499 1.885 1.00 0.00 C ATOM 471 C VAL A 32 -0.610 -12.310 0.622 1.00 0.00 C ATOM 472 O VAL A 32 -0.965 -12.766 -0.446 1.00 0.00 O ATOM 473 CB VAL A 32 -2.897 -12.044 1.615 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.624 -11.840 2.946 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.891 -10.725 0.836 1.00 0.00 C ATOM 0 H VAL A 32 -0.685 -10.727 2.796 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.456 -13.554 2.157 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.408 -12.807 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.647 -11.516 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.637 -12.778 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.106 -11.080 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.917 -10.409 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.376 -9.961 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.375 -10.866 -0.114 1.00 0.00 H new ATOM 485 N ALA A 33 0.507 -11.644 0.733 1.00 0.00 N ATOM 486 CA ALA A 33 1.367 -11.435 -0.468 1.00 0.00 C ATOM 487 C ALA A 33 2.663 -10.731 -0.056 1.00 0.00 C ATOM 488 O ALA A 33 2.727 -10.075 0.964 1.00 0.00 O ATOM 489 CB ALA A 33 0.620 -10.571 -1.486 1.00 0.00 C ATOM 0 H ALA A 33 0.861 -11.237 1.599 1.00 0.00 H new ATOM 0 HA ALA A 33 1.605 -12.400 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.248 -10.418 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.302 -11.072 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.381 -9.606 -1.038 1.00 0.00 H new ATOM 495 N THR A 34 3.697 -10.866 -0.843 1.00 0.00 N ATOM 496 CA THR A 34 4.989 -10.209 -0.494 1.00 0.00 C ATOM 497 C THR A 34 5.626 -9.617 -1.754 1.00 0.00 C ATOM 498 O THR A 34 6.131 -10.328 -2.600 1.00 0.00 O ATOM 499 CB THR A 34 5.937 -11.242 0.114 1.00 0.00 C ATOM 500 OG1 THR A 34 5.192 -12.166 0.896 1.00 0.00 O ATOM 501 CG2 THR A 34 6.967 -10.537 0.997 1.00 0.00 C ATOM 0 H THR A 34 3.702 -11.402 -1.711 1.00 0.00 H new ATOM 0 HA THR A 34 4.804 -9.412 0.226 1.00 0.00 H new ATOM 0 HB THR A 34 6.452 -11.775 -0.685 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.799 -12.830 1.285 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.642 -11.276 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.539 -9.831 0.396 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.455 -10.001 1.796 1.00 0.00 H new ATOM 509 N ILE A 35 5.619 -8.318 -1.880 1.00 0.00 N ATOM 510 CA ILE A 35 6.237 -7.678 -3.076 1.00 0.00 C ATOM 511 C ILE A 35 7.530 -6.988 -2.655 1.00 0.00 C ATOM 512 O ILE A 35 7.778 -6.782 -1.487 1.00 0.00 O ATOM 513 CB ILE A 35 5.284 -6.632 -3.665 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.427 -6.033 -2.545 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.374 -7.292 -4.701 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.588 -4.884 -3.105 1.00 0.00 C ATOM 0 H ILE A 35 5.211 -7.671 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 35 6.441 -8.441 -3.827 1.00 0.00 H new ATOM 0 HB ILE A 35 5.865 -5.843 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.778 -6.798 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.065 -5.672 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.697 -6.546 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.981 -7.718 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.794 -8.082 -4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.978 -4.457 -2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.247 -4.115 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.940 -5.259 -3.897 1.00 0.00 H new ATOM 528 N LYS A 36 8.353 -6.615 -3.589 1.00 0.00 N ATOM 529 CA LYS A 36 9.612 -5.923 -3.211 1.00 0.00 C ATOM 530 C LYS A 36 9.316 -4.434 -3.041 1.00 0.00 C ATOM 531 O LYS A 36 8.261 -3.959 -3.413 1.00 0.00 O ATOM 532 CB LYS A 36 10.661 -6.118 -4.309 1.00 0.00 C ATOM 533 CG LYS A 36 11.419 -7.425 -4.068 1.00 0.00 C ATOM 534 CD LYS A 36 10.692 -8.574 -4.767 1.00 0.00 C ATOM 535 CE LYS A 36 10.788 -9.837 -3.910 1.00 0.00 C ATOM 536 NZ LYS A 36 10.169 -10.980 -4.638 1.00 0.00 N ATOM 0 H LYS A 36 8.212 -6.757 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 36 9.998 -6.336 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.179 -6.140 -5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.356 -5.278 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.438 -7.342 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.491 -7.624 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.647 -8.311 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.132 -8.753 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.831 -10.058 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.282 -9.682 -2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.234 -11.839 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.169 -10.768 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.671 -11.132 -5.536 1.00 0.00 H new ATOM 550 N ARG A 37 10.230 -3.689 -2.486 1.00 0.00 N ATOM 551 CA ARG A 37 9.980 -2.234 -2.303 1.00 0.00 C ATOM 552 C ARG A 37 9.604 -1.615 -3.649 1.00 0.00 C ATOM 553 O ARG A 37 9.026 -0.553 -3.714 1.00 0.00 O ATOM 554 CB ARG A 37 11.241 -1.557 -1.757 1.00 0.00 C ATOM 555 CG ARG A 37 10.978 -0.060 -1.566 1.00 0.00 C ATOM 556 CD ARG A 37 12.053 0.744 -2.300 1.00 0.00 C ATOM 557 NE ARG A 37 12.780 1.610 -1.328 1.00 0.00 N ATOM 558 CZ ARG A 37 12.294 2.777 -1.003 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.242 2.857 -0.236 1.00 0.00 N ATOM 560 NH2 ARG A 37 12.863 3.867 -1.444 1.00 0.00 N ATOM 0 H ARG A 37 11.134 -4.023 -2.153 1.00 0.00 H new ATOM 0 HA ARG A 37 9.164 -2.090 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.528 -2.010 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.073 -1.706 -2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.991 0.198 -1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.984 0.189 -0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.752 0.069 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.596 1.356 -3.077 1.00 0.00 H new ATOM 0 HE ARG A 37 13.657 1.290 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.798 2.007 0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.864 3.770 0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.687 3.806 -2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.483 4.779 -1.190 1.00 0.00 H new ATOM 574 N ASP A 38 9.926 -2.280 -4.719 1.00 0.00 N ATOM 575 CA ASP A 38 9.595 -1.743 -6.070 1.00 0.00 C ATOM 576 C ASP A 38 8.086 -1.490 -6.182 1.00 0.00 C ATOM 577 O ASP A 38 7.655 -0.539 -6.804 1.00 0.00 O ATOM 578 CB ASP A 38 10.024 -2.751 -7.140 1.00 0.00 C ATOM 579 CG ASP A 38 9.182 -4.022 -7.011 1.00 0.00 C ATOM 580 OD1 ASP A 38 8.877 -4.397 -5.891 1.00 0.00 O ATOM 581 OD2 ASP A 38 8.857 -4.600 -8.035 1.00 0.00 O ATOM 0 H ASP A 38 10.408 -3.179 -4.719 1.00 0.00 H new ATOM 0 HA ASP A 38 10.126 -0.802 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.899 -2.319 -8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.082 -2.990 -7.027 1.00 0.00 H new ATOM 586 N LYS A 39 7.279 -2.330 -5.591 1.00 0.00 N ATOM 587 CA LYS A 39 5.803 -2.129 -5.676 1.00 0.00 C ATOM 588 C LYS A 39 5.367 -1.102 -4.641 1.00 0.00 C ATOM 589 O LYS A 39 4.729 -0.118 -4.959 1.00 0.00 O ATOM 590 CB LYS A 39 5.108 -3.444 -5.374 1.00 0.00 C ATOM 591 CG LYS A 39 4.540 -4.040 -6.663 1.00 0.00 C ATOM 592 CD LYS A 39 5.660 -4.725 -7.448 1.00 0.00 C ATOM 593 CE LYS A 39 5.668 -4.207 -8.887 1.00 0.00 C ATOM 594 NZ LYS A 39 4.886 -5.132 -9.754 1.00 0.00 N ATOM 0 H LYS A 39 7.577 -3.145 -5.054 1.00 0.00 H new ATOM 0 HA LYS A 39 5.542 -1.781 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.812 -4.141 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.307 -3.285 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.755 -4.758 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.085 -3.256 -7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.622 -4.529 -6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.515 -5.805 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.239 -3.206 -8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.693 -4.130 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.892 -4.779 -10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.314 -6.080 -9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.906 -5.184 -9.411 1.00 0.00 H new ATOM 608 N VAL A 40 5.709 -1.312 -3.402 1.00 0.00 N ATOM 609 CA VAL A 40 5.312 -0.330 -2.366 1.00 0.00 C ATOM 610 C VAL A 40 6.023 0.982 -2.673 1.00 0.00 C ATOM 611 O VAL A 40 5.671 2.030 -2.169 1.00 0.00 O ATOM 612 CB VAL A 40 5.735 -0.837 -0.986 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.591 0.286 0.039 1.00 0.00 C ATOM 614 CG2 VAL A 40 4.843 -2.012 -0.578 1.00 0.00 C ATOM 0 H VAL A 40 6.242 -2.115 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 40 4.231 -0.188 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 40 6.774 -1.163 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.893 -0.077 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.225 1.125 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.552 0.613 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.144 -2.373 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.804 -1.685 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.945 -2.816 -1.307 1.00 0.00 H new ATOM 624 N ARG A 41 7.015 0.929 -3.525 1.00 0.00 N ATOM 625 CA ARG A 41 7.745 2.175 -3.897 1.00 0.00 C ATOM 626 C ARG A 41 6.876 2.998 -4.848 1.00 0.00 C ATOM 627 O ARG A 41 6.555 4.140 -4.588 1.00 0.00 O ATOM 628 CB ARG A 41 9.062 1.823 -4.595 1.00 0.00 C ATOM 629 CG ARG A 41 9.657 3.083 -5.223 1.00 0.00 C ATOM 630 CD ARG A 41 10.956 2.727 -5.948 1.00 0.00 C ATOM 631 NE ARG A 41 10.996 3.425 -7.264 1.00 0.00 N ATOM 632 CZ ARG A 41 10.060 3.208 -8.145 1.00 0.00 C ATOM 633 NH1 ARG A 41 9.659 1.990 -8.386 1.00 0.00 N ATOM 634 NH2 ARG A 41 9.523 4.210 -8.788 1.00 0.00 N ATOM 0 H ARG A 41 7.349 0.078 -3.977 1.00 0.00 H new ATOM 0 HA ARG A 41 7.961 2.749 -2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.763 1.395 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.889 1.068 -5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.947 3.524 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.851 3.829 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.815 3.019 -5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.020 1.649 -6.094 1.00 0.00 H new ATOM 0 HE ARG A 41 11.755 4.072 -7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.078 1.207 -7.885 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.927 1.821 -9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.836 5.163 -8.601 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.791 4.040 -9.477 1.00 0.00 H new ATOM 648 N GLU A 42 6.488 2.414 -5.950 1.00 0.00 N ATOM 649 CA GLU A 42 5.635 3.145 -6.925 1.00 0.00 C ATOM 650 C GLU A 42 4.327 3.523 -6.239 1.00 0.00 C ATOM 651 O GLU A 42 3.936 4.673 -6.199 1.00 0.00 O ATOM 652 CB GLU A 42 5.345 2.238 -8.125 1.00 0.00 C ATOM 653 CG GLU A 42 4.241 2.855 -8.982 1.00 0.00 C ATOM 654 CD GLU A 42 4.734 4.171 -9.585 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.933 4.399 -9.562 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.906 4.931 -10.061 1.00 0.00 O ATOM 0 H GLU A 42 6.727 1.459 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 42 6.145 4.044 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.249 2.105 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.042 1.249 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.954 2.165 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.352 3.031 -8.376 1.00 0.00 H new ATOM 663 N ILE A 43 3.657 2.552 -5.692 1.00 0.00 N ATOM 664 CA ILE A 43 2.375 2.819 -4.991 1.00 0.00 C ATOM 665 C ILE A 43 2.590 3.903 -3.931 1.00 0.00 C ATOM 666 O ILE A 43 1.719 4.708 -3.666 1.00 0.00 O ATOM 667 CB ILE A 43 1.905 1.510 -4.342 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.122 0.693 -5.371 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.005 1.791 -3.132 1.00 0.00 C ATOM 670 CD1 ILE A 43 0.606 -0.592 -4.721 1.00 0.00 C ATOM 0 H ILE A 43 3.946 1.574 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 43 1.617 3.172 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 43 2.780 0.956 -4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.287 1.278 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.761 0.452 -6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.685 0.848 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.559 2.369 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.130 2.356 -3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.048 -1.173 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.449 -1.180 -4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.047 -0.340 -3.886 1.00 0.00 H new ATOM 682 N ALA A 44 3.743 3.934 -3.323 1.00 0.00 N ATOM 683 CA ALA A 44 4.008 4.969 -2.285 1.00 0.00 C ATOM 684 C ALA A 44 3.959 6.358 -2.928 1.00 0.00 C ATOM 685 O ALA A 44 3.121 7.175 -2.603 1.00 0.00 O ATOM 686 CB ALA A 44 5.392 4.734 -1.675 1.00 0.00 C ATOM 0 H ALA A 44 4.513 3.288 -3.500 1.00 0.00 H new ATOM 0 HA ALA A 44 3.252 4.905 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.588 5.490 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.425 3.744 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.150 4.799 -2.456 1.00 0.00 H new ATOM 692 N GLU A 45 4.856 6.633 -3.834 1.00 0.00 N ATOM 693 CA GLU A 45 4.868 7.969 -4.498 1.00 0.00 C ATOM 694 C GLU A 45 3.558 8.191 -5.255 1.00 0.00 C ATOM 695 O GLU A 45 3.076 9.300 -5.367 1.00 0.00 O ATOM 696 CB GLU A 45 6.042 8.038 -5.479 1.00 0.00 C ATOM 697 CG GLU A 45 6.719 9.405 -5.377 1.00 0.00 C ATOM 698 CD GLU A 45 5.680 10.508 -5.595 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.452 10.861 -6.740 1.00 0.00 O ATOM 700 OE2 GLU A 45 5.131 10.980 -4.612 1.00 0.00 O ATOM 0 H GLU A 45 5.584 5.989 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 45 4.976 8.744 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.760 7.248 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.688 7.872 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.186 9.519 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.512 9.486 -6.120 1.00 0.00 H new ATOM 707 N LEU A 46 2.982 7.149 -5.783 1.00 0.00 N ATOM 708 CA LEU A 46 1.709 7.309 -6.540 1.00 0.00 C ATOM 709 C LEU A 46 0.587 7.731 -5.588 1.00 0.00 C ATOM 710 O LEU A 46 -0.240 8.559 -5.917 1.00 0.00 O ATOM 711 CB LEU A 46 1.337 5.984 -7.210 1.00 0.00 C ATOM 712 CG LEU A 46 1.371 6.157 -8.730 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.974 4.842 -9.402 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.386 7.254 -9.140 1.00 0.00 C ATOM 0 H LEU A 46 3.336 6.194 -5.724 1.00 0.00 H new ATOM 0 HA LEU A 46 1.843 8.077 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.033 5.202 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.344 5.668 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 46 2.378 6.436 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.998 4.965 -10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.673 4.059 -9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.033 4.564 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.410 7.378 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.620 6.974 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.666 8.192 -8.661 1.00 0.00 H new ATOM 726 N LYS A 47 0.544 7.164 -4.413 1.00 0.00 N ATOM 727 CA LYS A 47 -0.531 7.525 -3.448 1.00 0.00 C ATOM 728 C LYS A 47 -0.295 8.928 -2.893 1.00 0.00 C ATOM 729 O LYS A 47 -1.149 9.784 -2.969 1.00 0.00 O ATOM 730 CB LYS A 47 -0.533 6.530 -2.286 1.00 0.00 C ATOM 731 CG LYS A 47 -1.612 6.923 -1.274 1.00 0.00 C ATOM 732 CD LYS A 47 -0.991 7.019 0.123 1.00 0.00 C ATOM 733 CE LYS A 47 -1.746 8.064 0.945 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.323 7.976 2.371 1.00 0.00 N ATOM 0 H LYS A 47 1.208 6.465 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.489 7.497 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.719 5.522 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.444 6.517 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.056 7.879 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.415 6.185 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.034 6.050 0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.062 7.292 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.545 9.062 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.820 7.900 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.837 8.687 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.536 7.027 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.301 8.153 2.441 1.00 0.00 H new ATOM 748 N MET A 48 0.852 9.155 -2.316 1.00 0.00 N ATOM 749 CA MET A 48 1.152 10.489 -1.720 1.00 0.00 C ATOM 750 C MET A 48 1.370 11.539 -2.827 1.00 0.00 C ATOM 751 O MET A 48 2.354 11.489 -3.537 1.00 0.00 O ATOM 752 CB MET A 48 2.419 10.349 -0.852 1.00 0.00 C ATOM 753 CG MET A 48 3.246 11.641 -0.870 1.00 0.00 C ATOM 754 SD MET A 48 4.676 11.456 0.225 1.00 0.00 S ATOM 755 CE MET A 48 5.804 12.533 -0.693 1.00 0.00 C ATOM 0 H MET A 48 1.601 8.468 -2.231 1.00 0.00 H new ATOM 0 HA MET A 48 0.313 10.823 -1.109 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.137 10.108 0.173 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.025 9.520 -1.219 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.577 11.859 -1.885 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.633 12.482 -0.547 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.768 12.567 -0.186 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.938 12.144 -1.702 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.386 13.538 -0.745 1.00 0.00 H new ATOM 765 N PRO A 49 0.455 12.480 -2.918 1.00 0.00 N ATOM 766 CA PRO A 49 0.536 13.574 -3.899 1.00 0.00 C ATOM 767 C PRO A 49 1.383 14.693 -3.294 1.00 0.00 C ATOM 768 O PRO A 49 2.447 15.025 -3.774 1.00 0.00 O ATOM 769 CB PRO A 49 -0.919 14.028 -4.046 1.00 0.00 C ATOM 770 CG PRO A 49 -1.643 13.595 -2.747 1.00 0.00 C ATOM 771 CD PRO A 49 -0.750 12.539 -2.066 1.00 0.00 C ATOM 0 HA PRO A 49 0.981 13.292 -4.853 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.977 15.108 -4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.382 13.571 -4.920 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.800 14.450 -2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.626 13.182 -2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.502 12.826 -1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.248 11.571 -2.013 1.00 0.00 H new ATOM 779 N ASP A 50 0.911 15.248 -2.211 1.00 0.00 N ATOM 780 CA ASP A 50 1.660 16.324 -1.508 1.00 0.00 C ATOM 781 C ASP A 50 1.831 15.900 -0.045 1.00 0.00 C ATOM 782 O ASP A 50 2.189 16.686 0.810 1.00 0.00 O ATOM 783 CB ASP A 50 0.869 17.634 -1.576 1.00 0.00 C ATOM 784 CG ASP A 50 1.640 18.735 -0.845 1.00 0.00 C ATOM 785 OD1 ASP A 50 2.457 19.382 -1.480 1.00 0.00 O ATOM 786 OD2 ASP A 50 1.401 18.913 0.338 1.00 0.00 O ATOM 0 H ASP A 50 0.023 14.996 -1.778 1.00 0.00 H new ATOM 0 HA ASP A 50 2.632 16.479 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.705 17.919 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.114 17.502 -1.123 1.00 0.00 H new ATOM 791 N LEU A 51 1.570 14.649 0.239 1.00 0.00 N ATOM 792 CA LEU A 51 1.700 14.134 1.632 1.00 0.00 C ATOM 793 C LEU A 51 3.042 14.569 2.225 1.00 0.00 C ATOM 794 O LEU A 51 3.926 15.021 1.524 1.00 0.00 O ATOM 795 CB LEU A 51 1.633 12.606 1.597 1.00 0.00 C ATOM 796 CG LEU A 51 1.074 12.075 2.916 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.304 11.456 2.675 1.00 0.00 C ATOM 798 CD2 LEU A 51 2.020 11.007 3.470 1.00 0.00 C ATOM 0 H LEU A 51 1.269 13.955 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 51 0.894 14.533 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.003 12.281 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.627 12.194 1.422 1.00 0.00 H new ATOM 0 HG LEU A 51 0.984 12.893 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.702 11.077 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.978 12.213 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.215 10.636 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.626 10.625 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.105 10.190 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.004 11.445 3.640 1.00 0.00 H new ATOM 810 N ASN A 52 3.201 14.428 3.512 1.00 0.00 N ATOM 811 CA ASN A 52 4.486 14.824 4.153 1.00 0.00 C ATOM 812 C ASN A 52 5.551 13.780 3.820 1.00 0.00 C ATOM 813 O ASN A 52 6.388 13.982 2.962 1.00 0.00 O ATOM 814 CB ASN A 52 4.300 14.906 5.669 1.00 0.00 C ATOM 815 CG ASN A 52 3.909 16.333 6.057 1.00 0.00 C ATOM 816 OD1 ASN A 52 4.758 17.196 6.173 1.00 0.00 O ATOM 817 ND2 ASN A 52 2.653 16.621 6.262 1.00 0.00 N ATOM 0 H ASN A 52 2.496 14.055 4.148 1.00 0.00 H new ATOM 0 HA ASN A 52 4.799 15.799 3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.529 14.206 5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.222 14.619 6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.383 17.570 6.520 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.941 15.897 6.165 1.00 0.00 H new ATOM 824 N ALA A 53 5.524 12.662 4.487 1.00 0.00 N ATOM 825 CA ALA A 53 6.529 11.600 4.202 1.00 0.00 C ATOM 826 C ALA A 53 7.935 12.205 4.216 1.00 0.00 C ATOM 827 O ALA A 53 8.198 13.187 4.882 1.00 0.00 O ATOM 828 CB ALA A 53 6.251 10.995 2.826 1.00 0.00 C ATOM 0 H ALA A 53 4.849 12.436 5.218 1.00 0.00 H new ATOM 0 HA ALA A 53 6.461 10.824 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.985 10.218 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.251 10.562 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.318 11.773 2.066 1.00 0.00 H new ATOM 834 N ALA A 54 8.836 11.623 3.480 1.00 0.00 N ATOM 835 CA ALA A 54 10.232 12.145 3.432 1.00 0.00 C ATOM 836 C ALA A 54 11.046 11.257 2.495 1.00 0.00 C ATOM 837 O ALA A 54 11.779 10.390 2.927 1.00 0.00 O ATOM 838 CB ALA A 54 10.844 12.109 4.834 1.00 0.00 C ATOM 0 H ALA A 54 8.666 10.799 2.903 1.00 0.00 H new ATOM 0 HA ALA A 54 10.235 13.174 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.864 12.491 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.250 12.728 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.855 11.082 5.200 1.00 0.00 H new ATOM 844 N SER A 55 10.901 11.448 1.212 1.00 0.00 N ATOM 845 CA SER A 55 11.642 10.595 0.243 1.00 0.00 C ATOM 846 C SER A 55 10.928 9.245 0.148 1.00 0.00 C ATOM 847 O SER A 55 10.397 8.750 1.121 1.00 0.00 O ATOM 848 CB SER A 55 13.079 10.385 0.725 1.00 0.00 C ATOM 849 OG SER A 55 13.152 9.175 1.471 1.00 0.00 O ATOM 0 H SER A 55 10.301 12.159 0.794 1.00 0.00 H new ATOM 0 HA SER A 55 11.669 11.078 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.758 10.342 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.394 11.226 1.342 1.00 0.00 H new ATOM 0 HG SER A 55 12.811 9.328 2.377 1.00 0.00 H new ATOM 855 N ILE A 56 10.898 8.656 -1.017 1.00 0.00 N ATOM 856 CA ILE A 56 10.206 7.343 -1.177 1.00 0.00 C ATOM 857 C ILE A 56 10.488 6.454 0.039 1.00 0.00 C ATOM 858 O ILE A 56 9.608 5.792 0.554 1.00 0.00 O ATOM 859 CB ILE A 56 10.714 6.652 -2.442 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.451 7.552 -3.655 1.00 0.00 C ATOM 861 CG2 ILE A 56 9.981 5.322 -2.627 1.00 0.00 C ATOM 862 CD1 ILE A 56 8.955 7.864 -3.742 1.00 0.00 C ATOM 0 H ILE A 56 11.323 9.027 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 56 9.132 7.510 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 56 11.784 6.467 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.022 8.476 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.784 7.058 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.343 4.829 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.166 4.682 -1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.911 5.506 -2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.766 8.504 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.395 6.935 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.637 8.376 -2.834 1.00 0.00 H new ATOM 874 N GLU A 57 11.708 6.435 0.500 1.00 0.00 N ATOM 875 CA GLU A 57 12.050 5.593 1.681 1.00 0.00 C ATOM 876 C GLU A 57 11.139 5.943 2.864 1.00 0.00 C ATOM 877 O GLU A 57 10.608 5.072 3.526 1.00 0.00 O ATOM 878 CB GLU A 57 13.510 5.838 2.071 1.00 0.00 C ATOM 879 CG GLU A 57 14.417 5.480 0.892 1.00 0.00 C ATOM 880 CD GLU A 57 15.860 5.875 1.215 1.00 0.00 C ATOM 881 OE1 GLU A 57 16.191 5.928 2.388 1.00 0.00 O ATOM 882 OE2 GLU A 57 16.610 6.118 0.284 1.00 0.00 O ATOM 0 H GLU A 57 12.485 6.968 0.109 1.00 0.00 H new ATOM 0 HA GLU A 57 11.907 4.544 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.653 6.882 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.772 5.236 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.359 4.411 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.081 5.995 -0.008 1.00 0.00 H new ATOM 889 N ALA A 58 10.964 7.206 3.143 1.00 0.00 N ATOM 890 CA ALA A 58 10.099 7.602 4.293 1.00 0.00 C ATOM 891 C ALA A 58 8.642 7.225 4.016 1.00 0.00 C ATOM 892 O ALA A 58 7.974 6.646 4.851 1.00 0.00 O ATOM 893 CB ALA A 58 10.198 9.113 4.510 1.00 0.00 C ATOM 0 H ALA A 58 11.381 7.980 2.626 1.00 0.00 H new ATOM 0 HA ALA A 58 10.438 7.077 5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.566 9.402 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.232 9.383 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.866 9.632 3.611 1.00 0.00 H new ATOM 899 N ALA A 59 8.135 7.552 2.859 1.00 0.00 N ATOM 900 CA ALA A 59 6.717 7.211 2.554 1.00 0.00 C ATOM 901 C ALA A 59 6.522 5.701 2.685 1.00 0.00 C ATOM 902 O ALA A 59 5.514 5.229 3.173 1.00 0.00 O ATOM 903 CB ALA A 59 6.376 7.653 1.129 1.00 0.00 C ATOM 0 H ALA A 59 8.638 8.037 2.116 1.00 0.00 H new ATOM 0 HA ALA A 59 6.059 7.726 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.338 7.402 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.516 8.730 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.030 7.142 0.423 1.00 0.00 H new ATOM 909 N MET A 60 7.490 4.945 2.260 1.00 0.00 N ATOM 910 CA MET A 60 7.395 3.463 2.358 1.00 0.00 C ATOM 911 C MET A 60 7.250 3.066 3.827 1.00 0.00 C ATOM 912 O MET A 60 6.496 2.177 4.168 1.00 0.00 O ATOM 913 CB MET A 60 8.666 2.830 1.785 1.00 0.00 C ATOM 914 CG MET A 60 8.549 1.306 1.849 1.00 0.00 C ATOM 915 SD MET A 60 9.475 0.689 3.276 1.00 0.00 S ATOM 916 CE MET A 60 10.954 0.167 2.376 1.00 0.00 C ATOM 0 H MET A 60 8.354 5.293 1.844 1.00 0.00 H new ATOM 0 HA MET A 60 6.530 3.114 1.794 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.812 3.151 0.754 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.537 3.163 2.349 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.502 1.014 1.928 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.936 0.862 0.932 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.676 -0.254 3.076 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.683 -0.587 1.637 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.396 1.027 1.872 1.00 0.00 H new ATOM 926 N ARG A 61 7.968 3.723 4.700 1.00 0.00 N ATOM 927 CA ARG A 61 7.868 3.386 6.148 1.00 0.00 C ATOM 928 C ARG A 61 6.417 3.554 6.602 1.00 0.00 C ATOM 929 O ARG A 61 5.803 2.634 7.102 1.00 0.00 O ATOM 930 CB ARG A 61 8.772 4.320 6.955 1.00 0.00 C ATOM 931 CG ARG A 61 9.314 3.574 8.179 1.00 0.00 C ATOM 932 CD ARG A 61 9.607 4.573 9.301 1.00 0.00 C ATOM 933 NE ARG A 61 10.826 5.359 8.960 1.00 0.00 N ATOM 934 CZ ARG A 61 11.978 4.755 8.838 1.00 0.00 C ATOM 935 NH1 ARG A 61 12.529 4.187 9.875 1.00 0.00 N ATOM 936 NH2 ARG A 61 12.575 4.722 7.680 1.00 0.00 N ATOM 0 H ARG A 61 8.617 4.476 4.472 1.00 0.00 H new ATOM 0 HA ARG A 61 8.184 2.355 6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.597 4.671 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.213 5.201 7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.588 2.834 8.517 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.222 3.032 7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.757 5.241 9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.753 4.045 10.243 1.00 0.00 H new ATOM 0 HE ARG A 61 10.761 6.368 8.822 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.060 4.215 10.781 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.428 3.715 9.780 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.143 5.167 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.474 4.251 7.583 1.00 0.00 H new ATOM 950 N MET A 62 5.858 4.721 6.425 1.00 0.00 N ATOM 951 CA MET A 62 4.444 4.933 6.840 1.00 0.00 C ATOM 952 C MET A 62 3.535 4.117 5.921 1.00 0.00 C ATOM 953 O MET A 62 2.407 3.810 6.252 1.00 0.00 O ATOM 954 CB MET A 62 4.091 6.418 6.724 1.00 0.00 C ATOM 955 CG MET A 62 2.600 6.610 7.009 1.00 0.00 C ATOM 956 SD MET A 62 2.291 8.334 7.468 1.00 0.00 S ATOM 957 CE MET A 62 2.861 9.085 5.923 1.00 0.00 C ATOM 0 H MET A 62 6.318 5.533 6.013 1.00 0.00 H new ATOM 0 HA MET A 62 4.309 4.615 7.874 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.685 7.000 7.428 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.332 6.783 5.726 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.014 6.346 6.129 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.284 5.946 7.814 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.692 10.161 5.958 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.925 8.888 5.794 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.309 8.658 5.086 1.00 0.00 H new ATOM 967 N ILE A 63 4.029 3.757 4.769 1.00 0.00 N ATOM 968 CA ILE A 63 3.214 2.952 3.817 1.00 0.00 C ATOM 969 C ILE A 63 3.284 1.475 4.230 1.00 0.00 C ATOM 970 O ILE A 63 2.354 0.720 4.028 1.00 0.00 O ATOM 971 CB ILE A 63 3.771 3.152 2.397 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.127 4.393 1.774 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.455 1.934 1.522 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.624 4.157 1.599 1.00 0.00 C ATOM 0 H ILE A 63 4.968 3.987 4.444 1.00 0.00 H new ATOM 0 HA ILE A 63 2.172 3.270 3.833 1.00 0.00 H new ATOM 0 HB ILE A 63 4.852 3.277 2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.298 5.262 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.587 4.609 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.856 2.092 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.909 1.045 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.375 1.799 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.166 5.041 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.464 3.299 0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.171 3.963 2.571 1.00 0.00 H new ATOM 986 N GLU A 64 4.377 1.061 4.812 1.00 0.00 N ATOM 987 CA GLU A 64 4.503 -0.361 5.242 1.00 0.00 C ATOM 988 C GLU A 64 3.457 -0.667 6.318 1.00 0.00 C ATOM 989 O GLU A 64 2.562 -1.465 6.119 1.00 0.00 O ATOM 990 CB GLU A 64 5.902 -0.601 5.815 1.00 0.00 C ATOM 991 CG GLU A 64 6.879 -0.906 4.678 1.00 0.00 C ATOM 992 CD GLU A 64 8.029 -1.763 5.212 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.435 -1.538 6.338 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.483 -2.627 4.481 1.00 0.00 O ATOM 0 H GLU A 64 5.189 1.647 5.008 1.00 0.00 H new ATOM 0 HA GLU A 64 4.343 -1.012 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.235 0.278 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.879 -1.432 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.364 -1.430 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.267 0.022 4.258 1.00 0.00 H new ATOM 1001 N GLY A 65 3.569 -0.041 7.458 1.00 0.00 N ATOM 1002 CA GLY A 65 2.590 -0.291 8.554 1.00 0.00 C ATOM 1003 C GLY A 65 1.174 -0.367 7.980 1.00 0.00 C ATOM 1004 O GLY A 65 0.309 -1.026 8.522 1.00 0.00 O ATOM 0 H GLY A 65 4.300 0.636 7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.834 -1.221 9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.649 0.506 9.295 1.00 0.00 H new ATOM 1008 N THR A 66 0.930 0.305 6.890 1.00 0.00 N ATOM 1009 CA THR A 66 -0.432 0.266 6.287 1.00 0.00 C ATOM 1010 C THR A 66 -0.657 -1.092 5.622 1.00 0.00 C ATOM 1011 O THR A 66 -1.669 -1.733 5.825 1.00 0.00 O ATOM 1012 CB THR A 66 -0.559 1.375 5.239 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.406 2.639 5.870 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.934 1.296 4.575 1.00 0.00 C ATOM 0 H THR A 66 1.611 0.878 6.392 1.00 0.00 H new ATOM 0 HA THR A 66 -1.178 0.416 7.067 1.00 0.00 H new ATOM 0 HB THR A 66 0.215 1.251 4.481 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.546 2.868 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.024 2.086 3.829 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.050 0.326 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.710 1.420 5.330 1.00 0.00 H new ATOM 1022 N ALA A 67 0.279 -1.538 4.831 1.00 0.00 N ATOM 1023 CA ALA A 67 0.118 -2.857 4.157 1.00 0.00 C ATOM 1024 C ALA A 67 -0.137 -3.939 5.209 1.00 0.00 C ATOM 1025 O ALA A 67 -0.887 -4.869 4.989 1.00 0.00 O ATOM 1026 CB ALA A 67 1.392 -3.194 3.380 1.00 0.00 C ATOM 0 H ALA A 67 1.148 -1.047 4.622 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.726 -2.811 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.273 -4.159 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.575 -2.424 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.236 -3.239 4.068 1.00 0.00 H new ATOM 1032 N ARG A 68 0.480 -3.823 6.352 1.00 0.00 N ATOM 1033 CA ARG A 68 0.274 -4.845 7.417 1.00 0.00 C ATOM 1034 C ARG A 68 -1.206 -4.889 7.807 1.00 0.00 C ATOM 1035 O ARG A 68 -1.656 -5.806 8.465 1.00 0.00 O ATOM 1036 CB ARG A 68 1.115 -4.484 8.644 1.00 0.00 C ATOM 1037 CG ARG A 68 2.508 -5.100 8.509 1.00 0.00 C ATOM 1038 CD ARG A 68 2.862 -5.854 9.791 1.00 0.00 C ATOM 1039 NE ARG A 68 3.593 -7.105 9.446 1.00 0.00 N ATOM 1040 CZ ARG A 68 4.897 -7.107 9.402 1.00 0.00 C ATOM 1041 NH1 ARG A 68 5.586 -7.281 10.495 1.00 0.00 N ATOM 1042 NH2 ARG A 68 5.512 -6.936 8.263 1.00 0.00 N ATOM 0 H ARG A 68 1.118 -3.065 6.595 1.00 0.00 H new ATOM 0 HA ARG A 68 0.579 -5.822 7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.193 -3.401 8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.631 -4.849 9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.535 -5.779 7.657 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.245 -4.320 8.319 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.477 -5.227 10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.956 -6.092 10.348 1.00 0.00 H new ATOM 0 HE ARG A 68 3.074 -7.960 9.244 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.106 -7.416 11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.605 -7.283 10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.973 -6.801 7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.531 -6.938 8.229 1.00 0.00 H new ATOM 1056 N SER A 69 -1.968 -3.908 7.406 1.00 0.00 N ATOM 1057 CA SER A 69 -3.418 -3.902 7.757 1.00 0.00 C ATOM 1058 C SER A 69 -4.148 -4.934 6.897 1.00 0.00 C ATOM 1059 O SER A 69 -5.235 -5.369 7.218 1.00 0.00 O ATOM 1060 CB SER A 69 -4.000 -2.513 7.497 1.00 0.00 C ATOM 1061 OG SER A 69 -5.058 -2.270 8.415 1.00 0.00 O ATOM 0 H SER A 69 -1.651 -3.112 6.852 1.00 0.00 H new ATOM 0 HA SER A 69 -3.542 -4.152 8.811 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.225 -1.754 7.608 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.368 -2.446 6.473 1.00 0.00 H new ATOM 0 HG SER A 69 -5.434 -1.379 8.253 1.00 0.00 H new ATOM 1067 N MET A 70 -3.551 -5.333 5.808 1.00 0.00 N ATOM 1068 CA MET A 70 -4.198 -6.344 4.925 1.00 0.00 C ATOM 1069 C MET A 70 -3.297 -7.577 4.838 1.00 0.00 C ATOM 1070 O MET A 70 -3.635 -8.642 5.314 1.00 0.00 O ATOM 1071 CB MET A 70 -4.385 -5.757 3.523 1.00 0.00 C ATOM 1072 CG MET A 70 -5.145 -4.434 3.618 1.00 0.00 C ATOM 1073 SD MET A 70 -6.851 -4.752 4.131 1.00 0.00 S ATOM 1074 CE MET A 70 -7.592 -3.292 3.359 1.00 0.00 C ATOM 0 H MET A 70 -2.640 -5.001 5.491 1.00 0.00 H new ATOM 0 HA MET A 70 -5.170 -6.620 5.335 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.415 -5.598 3.052 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.933 -6.459 2.894 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.656 -3.772 4.333 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.133 -3.926 2.654 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.666 -3.443 3.252 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.408 -2.418 3.983 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.148 -3.135 2.376 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.149 -7.432 4.238 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.215 -8.590 4.124 1.00 0.00 C ATOM 1086 C GLY A 71 -0.212 -8.361 2.985 1.00 0.00 C ATOM 1087 O GLY A 71 0.287 -9.299 2.396 1.00 0.00 O ATOM 0 H GLY A 71 -1.816 -6.563 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.681 -8.728 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.780 -9.504 3.941 1.00 0.00 H new ATOM 1091 N ILE A 72 0.096 -7.129 2.669 1.00 0.00 N ATOM 1092 CA ILE A 72 1.073 -6.863 1.576 1.00 0.00 C ATOM 1093 C ILE A 72 2.472 -6.715 2.174 1.00 0.00 C ATOM 1094 O ILE A 72 2.940 -5.621 2.417 1.00 0.00 O ATOM 1095 CB ILE A 72 0.690 -5.576 0.844 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.630 -5.788 0.101 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.787 -5.216 -0.161 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.769 -5.134 0.883 1.00 0.00 C ATOM 0 H ILE A 72 -0.287 -6.299 3.121 1.00 0.00 H new ATOM 0 HA ILE A 72 1.063 -7.693 0.870 1.00 0.00 H new ATOM 0 HB ILE A 72 0.577 -4.767 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.569 -5.359 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.824 -6.854 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.515 -4.299 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.729 -5.067 0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.899 -6.025 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.709 -5.286 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.835 -5.583 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.576 -4.066 0.981 1.00 0.00 H new ATOM 1110 N VAL A 73 3.142 -7.805 2.418 1.00 0.00 N ATOM 1111 CA VAL A 73 4.506 -7.722 3.004 1.00 0.00 C ATOM 1112 C VAL A 73 5.462 -7.089 1.992 1.00 0.00 C ATOM 1113 O VAL A 73 5.148 -6.950 0.826 1.00 0.00 O ATOM 1114 CB VAL A 73 4.994 -9.126 3.360 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.370 -9.039 4.020 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.004 -9.775 4.330 1.00 0.00 C ATOM 0 H VAL A 73 2.803 -8.750 2.237 1.00 0.00 H new ATOM 0 HA VAL A 73 4.476 -7.109 3.905 1.00 0.00 H new ATOM 0 HB VAL A 73 5.066 -9.727 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.716 -10.041 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.075 -8.575 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.301 -8.439 4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.349 -10.777 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.934 -9.173 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.023 -9.838 3.860 1.00 0.00 H new ATOM 1126 N VAL A 74 6.623 -6.705 2.434 1.00 0.00 N ATOM 1127 CA VAL A 74 7.607 -6.078 1.509 1.00 0.00 C ATOM 1128 C VAL A 74 9.016 -6.501 1.919 1.00 0.00 C ATOM 1129 O VAL A 74 9.412 -6.361 3.059 1.00 0.00 O ATOM 1130 CB VAL A 74 7.483 -4.557 1.588 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.352 -3.917 0.505 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.024 -4.154 1.371 1.00 0.00 C ATOM 0 H VAL A 74 6.936 -6.798 3.400 1.00 0.00 H new ATOM 0 HA VAL A 74 7.411 -6.401 0.487 1.00 0.00 H new ATOM 0 HB VAL A 74 7.814 -4.216 2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.263 -2.832 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.392 -4.205 0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.020 -4.258 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.934 -3.069 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.694 -4.495 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.402 -4.610 2.141 1.00 0.00 H new ATOM 1142 N GLU A 75 9.773 -7.025 0.999 1.00 0.00 N ATOM 1143 CA GLU A 75 11.156 -7.466 1.336 1.00 0.00 C ATOM 1144 C GLU A 75 12.173 -6.605 0.590 1.00 0.00 C ATOM 1145 O GLU A 75 12.654 -6.971 -0.466 1.00 0.00 O ATOM 1146 CB GLU A 75 11.333 -8.932 0.937 1.00 0.00 C ATOM 1147 CG GLU A 75 12.206 -9.641 1.973 1.00 0.00 C ATOM 1148 CD GLU A 75 11.530 -10.945 2.405 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.569 -11.891 1.636 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.986 -10.973 3.496 1.00 0.00 O ATOM 0 H GLU A 75 9.496 -7.168 0.028 1.00 0.00 H new ATOM 0 HA GLU A 75 11.317 -7.357 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.361 -9.421 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.793 -8.999 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.190 -9.851 1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.360 -8.995 2.837 1.00 0.00 H new ATOM 1157 N ASP A 76 12.506 -5.470 1.140 1.00 0.00 N ATOM 1158 CA ASP A 76 13.495 -4.570 0.483 1.00 0.00 C ATOM 1159 C ASP A 76 13.278 -4.572 -1.032 1.00 0.00 C ATOM 1160 O ASP A 76 13.951 -5.336 -1.706 1.00 0.00 O ATOM 1161 CB ASP A 76 14.913 -5.053 0.798 1.00 0.00 C ATOM 1162 CG ASP A 76 15.278 -4.663 2.231 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.389 -4.657 3.066 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.440 -4.377 2.468 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.445 -3.810 -1.492 1.00 0.00 O ATOM 0 H ASP A 76 12.132 -5.125 2.024 1.00 0.00 H new ATOM 0 HA ASP A 76 13.362 -3.556 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.976 -6.134 0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.623 -4.612 0.098 1.00 0.00 H new