USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=10 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 150:sc= -1.2 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -0.045 (180deg=-0.293) USER MOD Single : A 47 LYS NZ :NH3+ -122:sc= -4.56! (180deg=-4.87!) USER MOD Single : A 48 MET CE :methyl -149:sc= -0.057 (180deg=-0.941) USER MOD Single : A 52 ASN : amide:sc=-0.00863 X(o=-0.0086,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.886! USER MOD Single : A 60 MET CE :methyl 148:sc= -0.138 (180deg=-1.46) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 86:sc= 0.626 USER MOD Single : A 69 SER OG : rot 74:sc= 0.307 USER MOD Single : A 70 MET CE :methyl 176:sc=-0.000529 (180deg=-0.0278) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.296 8.002 -6.871 1.00 0.00 N ATOM 110 CA THR A 7 -5.559 6.895 -6.198 1.00 0.00 C ATOM 111 C THR A 7 -6.197 6.585 -4.838 1.00 0.00 C ATOM 112 O THR A 7 -6.669 7.475 -4.158 1.00 0.00 O ATOM 113 CB THR A 7 -4.101 7.307 -5.983 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.431 6.300 -5.238 1.00 0.00 O ATOM 115 CG2 THR A 7 -4.054 8.630 -5.217 1.00 0.00 C ATOM 0 HA THR A 7 -5.605 6.007 -6.829 1.00 0.00 H new ATOM 0 HB THR A 7 -3.610 7.430 -6.948 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.484 6.283 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.016 8.925 -5.063 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.569 9.401 -5.790 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.544 8.509 -4.251 1.00 0.00 H new ATOM 123 N PRO A 8 -6.174 5.325 -4.479 1.00 0.00 N ATOM 124 CA PRO A 8 -6.725 4.848 -3.197 1.00 0.00 C ATOM 125 C PRO A 8 -5.729 5.132 -2.069 1.00 0.00 C ATOM 126 O PRO A 8 -4.640 5.612 -2.318 1.00 0.00 O ATOM 127 CB PRO A 8 -6.889 3.340 -3.422 1.00 0.00 C ATOM 128 CG PRO A 8 -5.922 2.957 -4.565 1.00 0.00 C ATOM 129 CD PRO A 8 -5.599 4.257 -5.323 1.00 0.00 C ATOM 0 HA PRO A 8 -7.659 5.331 -2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.655 2.785 -2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.918 3.097 -3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.013 2.504 -4.168 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.379 2.224 -5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.524 4.386 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.041 4.257 -6.320 1.00 0.00 H new ATOM 137 N PRO A 9 -6.119 4.823 -0.860 1.00 0.00 N ATOM 138 CA PRO A 9 -5.262 5.033 0.321 1.00 0.00 C ATOM 139 C PRO A 9 -4.107 4.025 0.339 1.00 0.00 C ATOM 140 O PRO A 9 -3.756 3.451 -0.673 1.00 0.00 O ATOM 141 CB PRO A 9 -6.213 4.830 1.504 1.00 0.00 C ATOM 142 CG PRO A 9 -7.398 3.993 0.969 1.00 0.00 C ATOM 143 CD PRO A 9 -7.442 4.233 -0.554 1.00 0.00 C ATOM 0 HA PRO A 9 -4.789 6.015 0.339 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.711 4.314 2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.558 5.787 1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.260 2.935 1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.333 4.298 1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.601 3.303 -1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.253 4.907 -0.829 1.00 0.00 H new ATOM 151 N ALA A 10 -3.501 3.821 1.476 1.00 0.00 N ATOM 152 CA ALA A 10 -2.352 2.869 1.553 1.00 0.00 C ATOM 153 C ALA A 10 -2.846 1.423 1.438 1.00 0.00 C ATOM 154 O ALA A 10 -2.853 0.845 0.369 1.00 0.00 O ATOM 155 CB ALA A 10 -1.633 3.053 2.890 1.00 0.00 C ATOM 0 H ALA A 10 -3.750 4.271 2.357 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.668 3.074 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.794 2.360 2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.265 4.076 2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.327 2.854 3.707 1.00 0.00 H new ATOM 161 N ALA A 11 -3.237 0.833 2.535 1.00 0.00 N ATOM 162 CA ALA A 11 -3.712 -0.583 2.507 1.00 0.00 C ATOM 163 C ALA A 11 -4.560 -0.835 1.258 1.00 0.00 C ATOM 164 O ALA A 11 -4.283 -1.725 0.481 1.00 0.00 O ATOM 165 CB ALA A 11 -4.555 -0.858 3.754 1.00 0.00 C ATOM 0 H ALA A 11 -3.248 1.272 3.455 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.847 -1.246 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.904 -1.891 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.950 -0.694 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.413 -0.186 3.769 1.00 0.00 H new ATOM 171 N VAL A 12 -5.593 -0.066 1.065 1.00 0.00 N ATOM 172 CA VAL A 12 -6.461 -0.272 -0.129 1.00 0.00 C ATOM 173 C VAL A 12 -5.600 -0.374 -1.392 1.00 0.00 C ATOM 174 O VAL A 12 -5.661 -1.347 -2.118 1.00 0.00 O ATOM 175 CB VAL A 12 -7.420 0.910 -0.262 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.188 0.799 -1.581 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.407 0.896 0.907 1.00 0.00 C ATOM 0 H VAL A 12 -5.875 0.696 1.681 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.026 -1.196 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.854 1.842 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.872 1.642 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.484 0.807 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.755 -0.132 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.092 1.738 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.973 -0.035 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.860 0.975 1.846 1.00 0.00 H new ATOM 187 N LEU A 13 -4.804 0.624 -1.668 1.00 0.00 N ATOM 188 CA LEU A 13 -3.951 0.581 -2.891 1.00 0.00 C ATOM 189 C LEU A 13 -3.069 -0.664 -2.863 1.00 0.00 C ATOM 190 O LEU A 13 -2.894 -1.336 -3.860 1.00 0.00 O ATOM 191 CB LEU A 13 -3.066 1.827 -2.941 1.00 0.00 C ATOM 192 CG LEU A 13 -2.453 1.965 -4.337 1.00 0.00 C ATOM 193 CD1 LEU A 13 -1.821 3.351 -4.480 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.377 0.893 -4.527 1.00 0.00 C ATOM 0 H LEU A 13 -4.708 1.466 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.591 0.551 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.654 2.713 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.277 1.756 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.230 1.840 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.384 3.451 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.585 4.116 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.043 3.475 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.939 0.989 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.600 1.020 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.825 -0.095 -4.422 1.00 0.00 H new ATOM 206 N LEU A 14 -2.516 -0.974 -1.731 1.00 0.00 N ATOM 207 CA LEU A 14 -1.646 -2.178 -1.636 1.00 0.00 C ATOM 208 C LEU A 14 -2.502 -3.420 -1.865 1.00 0.00 C ATOM 209 O LEU A 14 -2.239 -4.215 -2.747 1.00 0.00 O ATOM 210 CB LEU A 14 -1.008 -2.241 -0.247 1.00 0.00 C ATOM 211 CG LEU A 14 0.028 -1.126 -0.109 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.236 -0.340 1.176 1.00 0.00 C ATOM 213 CD2 LEU A 14 1.430 -1.738 -0.053 1.00 0.00 C ATOM 0 H LEU A 14 -2.627 -0.448 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.858 -2.128 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.774 -2.137 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.535 -3.211 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.043 -0.456 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.503 0.455 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.235 0.095 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.165 -1.010 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.170 -0.944 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.501 -2.408 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.619 -2.299 -0.968 1.00 0.00 H new ATOM 225 N LYS A 15 -3.538 -3.582 -1.085 1.00 0.00 N ATOM 226 CA LYS A 15 -4.425 -4.760 -1.268 1.00 0.00 C ATOM 227 C LYS A 15 -4.915 -4.775 -2.716 1.00 0.00 C ATOM 228 O LYS A 15 -5.182 -5.810 -3.291 1.00 0.00 O ATOM 229 CB LYS A 15 -5.623 -4.648 -0.321 1.00 0.00 C ATOM 230 CG LYS A 15 -6.693 -5.669 -0.716 1.00 0.00 C ATOM 231 CD LYS A 15 -7.987 -5.375 0.046 1.00 0.00 C ATOM 232 CE LYS A 15 -8.878 -6.620 0.039 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.125 -7.060 1.440 1.00 0.00 N ATOM 0 H LYS A 15 -3.805 -2.949 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.882 -5.679 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.303 -4.821 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.037 -3.640 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.873 -5.625 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.348 -6.678 -0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.759 -5.083 1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.511 -4.537 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.824 -6.401 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.399 -7.420 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.730 -7.906 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.219 -7.285 1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.599 -6.297 1.965 1.00 0.00 H new ATOM 247 N LYS A 16 -5.032 -3.625 -3.310 1.00 0.00 N ATOM 248 CA LYS A 16 -5.492 -3.567 -4.719 1.00 0.00 C ATOM 249 C LYS A 16 -4.362 -4.016 -5.638 1.00 0.00 C ATOM 250 O LYS A 16 -4.428 -5.044 -6.283 1.00 0.00 O ATOM 251 CB LYS A 16 -5.898 -2.132 -5.067 1.00 0.00 C ATOM 252 CG LYS A 16 -7.142 -2.151 -5.957 1.00 0.00 C ATOM 253 CD LYS A 16 -6.808 -2.831 -7.286 1.00 0.00 C ATOM 254 CE LYS A 16 -7.054 -1.852 -8.437 1.00 0.00 C ATOM 255 NZ LYS A 16 -5.849 -0.997 -8.628 1.00 0.00 N ATOM 0 H LYS A 16 -4.829 -2.723 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.351 -4.226 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.099 -1.569 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.080 -1.626 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.952 -2.683 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.491 -1.134 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.768 -3.157 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.422 -3.722 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.274 -2.400 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.923 -1.231 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.016 -0.332 -9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.659 -0.465 -7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.030 -1.597 -8.853 1.00 0.00 H new ATOM 269 N ALA A 17 -3.335 -3.233 -5.706 1.00 0.00 N ATOM 270 CA ALA A 17 -2.179 -3.562 -6.589 1.00 0.00 C ATOM 271 C ALA A 17 -1.470 -4.841 -6.120 1.00 0.00 C ATOM 272 O ALA A 17 -1.526 -5.867 -6.769 1.00 0.00 O ATOM 273 CB ALA A 17 -1.185 -2.401 -6.570 1.00 0.00 C ATOM 0 H ALA A 17 -3.239 -2.363 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.553 -3.726 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.338 -2.637 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.675 -1.497 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.832 -2.241 -5.551 1.00 0.00 H new ATOM 279 N ALA A 18 -0.772 -4.777 -5.017 1.00 0.00 N ATOM 280 CA ALA A 18 -0.025 -5.974 -4.527 1.00 0.00 C ATOM 281 C ALA A 18 -0.963 -6.968 -3.840 1.00 0.00 C ATOM 282 O ALA A 18 -0.587 -8.089 -3.564 1.00 0.00 O ATOM 283 CB ALA A 18 1.048 -5.525 -3.534 1.00 0.00 C ATOM 0 H ALA A 18 -0.686 -3.945 -4.432 1.00 0.00 H new ATOM 0 HA ALA A 18 0.433 -6.469 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.597 -6.395 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.738 -4.841 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.576 -5.019 -2.692 1.00 0.00 H new ATOM 289 N GLY A 19 -2.170 -6.577 -3.546 1.00 0.00 N ATOM 290 CA GLY A 19 -3.097 -7.524 -2.862 1.00 0.00 C ATOM 291 C GLY A 19 -3.770 -8.440 -3.886 1.00 0.00 C ATOM 292 O GLY A 19 -4.732 -9.113 -3.578 1.00 0.00 O ATOM 0 H GLY A 19 -2.554 -5.653 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.546 -8.122 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.854 -6.967 -2.309 1.00 0.00 H new ATOM 447 N LYS A 31 -1.551 -12.085 5.458 1.00 0.00 N ATOM 448 CA LYS A 31 -0.421 -11.935 4.493 1.00 0.00 C ATOM 449 C LYS A 31 -0.661 -12.846 3.288 1.00 0.00 C ATOM 450 O LYS A 31 -0.270 -13.997 3.282 1.00 0.00 O ATOM 451 CB LYS A 31 0.912 -12.308 5.162 1.00 0.00 C ATOM 452 CG LYS A 31 0.664 -13.156 6.415 1.00 0.00 C ATOM 453 CD LYS A 31 1.940 -13.215 7.258 1.00 0.00 C ATOM 454 CE LYS A 31 3.086 -13.784 6.419 1.00 0.00 C ATOM 455 NZ LYS A 31 4.390 -13.385 7.023 1.00 0.00 N ATOM 0 HA LYS A 31 -0.370 -10.896 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.536 -12.860 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.457 -11.403 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.150 -12.729 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.358 -14.163 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.198 -12.218 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.777 -13.837 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.012 -14.870 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.019 -13.416 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.169 -13.772 6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.459 -12.348 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.452 -13.757 7.992 1.00 0.00 H new ATOM 469 N VAL A 32 -1.304 -12.342 2.270 1.00 0.00 N ATOM 470 CA VAL A 32 -1.572 -13.183 1.069 1.00 0.00 C ATOM 471 C VAL A 32 -0.771 -12.659 -0.119 1.00 0.00 C ATOM 472 O VAL A 32 -0.738 -13.262 -1.174 1.00 0.00 O ATOM 473 CB VAL A 32 -3.062 -13.133 0.733 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.852 -13.898 1.795 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.526 -11.676 0.705 1.00 0.00 C ATOM 0 H VAL A 32 -1.655 -11.386 2.218 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.277 -14.211 1.280 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.230 -13.590 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.915 -13.862 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.520 -14.936 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.685 -13.442 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.589 -11.637 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.357 -11.222 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.963 -11.129 -0.052 1.00 0.00 H new ATOM 485 N ALA A 33 -0.125 -11.544 0.042 1.00 0.00 N ATOM 486 CA ALA A 33 0.674 -10.982 -1.082 1.00 0.00 C ATOM 487 C ALA A 33 2.042 -10.537 -0.565 1.00 0.00 C ATOM 488 O ALA A 33 2.159 -9.962 0.499 1.00 0.00 O ATOM 489 CB ALA A 33 -0.058 -9.782 -1.680 1.00 0.00 C ATOM 0 H ALA A 33 -0.114 -10.995 0.902 1.00 0.00 H new ATOM 0 HA ALA A 33 0.806 -11.746 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.528 -9.371 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.033 -10.098 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.192 -9.019 -0.914 1.00 0.00 H new ATOM 495 N THR A 34 3.078 -10.795 -1.313 1.00 0.00 N ATOM 496 CA THR A 34 4.439 -10.384 -0.873 1.00 0.00 C ATOM 497 C THR A 34 5.143 -9.667 -2.025 1.00 0.00 C ATOM 498 O THR A 34 5.185 -10.153 -3.139 1.00 0.00 O ATOM 499 CB THR A 34 5.243 -11.621 -0.470 1.00 0.00 C ATOM 500 OG1 THR A 34 4.525 -12.352 0.513 1.00 0.00 O ATOM 501 CG2 THR A 34 6.596 -11.188 0.097 1.00 0.00 C ATOM 0 H THR A 34 3.040 -11.274 -2.213 1.00 0.00 H new ATOM 0 HA THR A 34 4.361 -9.713 -0.017 1.00 0.00 H new ATOM 0 HB THR A 34 5.404 -12.252 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.039 -13.146 0.771 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.169 -12.070 0.384 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.146 -10.629 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.439 -10.557 0.972 1.00 0.00 H new ATOM 509 N ILE A 35 5.692 -8.511 -1.771 1.00 0.00 N ATOM 510 CA ILE A 35 6.385 -7.764 -2.858 1.00 0.00 C ATOM 511 C ILE A 35 7.621 -7.071 -2.295 1.00 0.00 C ATOM 512 O ILE A 35 7.771 -6.911 -1.102 1.00 0.00 O ATOM 513 CB ILE A 35 5.449 -6.700 -3.430 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.519 -6.196 -2.321 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.613 -7.304 -4.560 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.919 -4.849 -2.721 1.00 0.00 C ATOM 0 H ILE A 35 5.691 -8.052 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 35 6.673 -8.466 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 35 6.038 -5.870 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.724 -6.920 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.073 -6.095 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.946 -6.543 -4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.274 -7.666 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.023 -8.134 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.259 -4.495 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.720 -4.126 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.350 -4.964 -3.644 1.00 0.00 H new ATOM 528 N LYS A 36 8.502 -6.647 -3.152 1.00 0.00 N ATOM 529 CA LYS A 36 9.725 -5.949 -2.682 1.00 0.00 C ATOM 530 C LYS A 36 9.418 -4.459 -2.527 1.00 0.00 C ATOM 531 O LYS A 36 8.340 -4.005 -2.853 1.00 0.00 O ATOM 532 CB LYS A 36 10.834 -6.139 -3.713 1.00 0.00 C ATOM 533 CG LYS A 36 11.186 -7.625 -3.814 1.00 0.00 C ATOM 534 CD LYS A 36 12.632 -7.778 -4.287 1.00 0.00 C ATOM 535 CE LYS A 36 13.107 -9.206 -4.011 1.00 0.00 C ATOM 536 NZ LYS A 36 13.597 -9.300 -2.606 1.00 0.00 N ATOM 0 H LYS A 36 8.427 -6.755 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 36 10.045 -6.357 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.511 -5.764 -4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.715 -5.564 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.057 -8.106 -2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.510 -8.123 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.703 -7.559 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.273 -7.063 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.291 -9.910 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.903 -9.477 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.921 -10.270 -2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.387 -8.638 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.825 -9.058 -1.952 1.00 0.00 H new ATOM 550 N ARG A 37 10.352 -3.692 -2.038 1.00 0.00 N ATOM 551 CA ARG A 37 10.093 -2.236 -1.878 1.00 0.00 C ATOM 552 C ARG A 37 9.752 -1.640 -3.242 1.00 0.00 C ATOM 553 O ARG A 37 9.195 -0.565 -3.346 1.00 0.00 O ATOM 554 CB ARG A 37 11.335 -1.546 -1.306 1.00 0.00 C ATOM 555 CG ARG A 37 12.496 -1.668 -2.297 1.00 0.00 C ATOM 556 CD ARG A 37 13.767 -1.095 -1.666 1.00 0.00 C ATOM 557 NE ARG A 37 14.087 0.220 -2.291 1.00 0.00 N ATOM 558 CZ ARG A 37 14.450 1.227 -1.545 1.00 0.00 C ATOM 559 NH1 ARG A 37 15.679 1.311 -1.113 1.00 0.00 N ATOM 560 NH2 ARG A 37 13.584 2.151 -1.229 1.00 0.00 N ATOM 0 H ARG A 37 11.276 -4.008 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 37 9.260 -2.085 -1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.121 -0.495 -1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.608 -1.999 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.650 -2.713 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.261 -1.133 -3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.629 -0.974 -0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.598 -1.787 -1.805 1.00 0.00 H new ATOM 0 HE ARG A 37 14.022 0.333 -3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.356 0.589 -1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.962 2.099 -0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.623 2.086 -1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.868 2.938 -0.646 1.00 0.00 H new ATOM 574 N ASP A 38 10.080 -2.341 -4.289 1.00 0.00 N ATOM 575 CA ASP A 38 9.782 -1.835 -5.660 1.00 0.00 C ATOM 576 C ASP A 38 8.275 -1.616 -5.815 1.00 0.00 C ATOM 577 O ASP A 38 7.839 -0.741 -6.537 1.00 0.00 O ATOM 578 CB ASP A 38 10.254 -2.860 -6.696 1.00 0.00 C ATOM 579 CG ASP A 38 10.069 -2.285 -8.101 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.804 -1.375 -8.450 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.195 -2.764 -8.805 1.00 0.00 O ATOM 0 H ASP A 38 10.545 -3.248 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 38 10.303 -0.890 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.302 -3.107 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.687 -3.785 -6.592 1.00 0.00 H new ATOM 586 N LYS A 39 7.474 -2.406 -5.151 1.00 0.00 N ATOM 587 CA LYS A 39 5.998 -2.240 -5.271 1.00 0.00 C ATOM 588 C LYS A 39 5.528 -1.123 -4.348 1.00 0.00 C ATOM 589 O LYS A 39 4.886 -0.182 -4.770 1.00 0.00 O ATOM 590 CB LYS A 39 5.315 -3.524 -4.846 1.00 0.00 C ATOM 591 CG LYS A 39 5.041 -4.401 -6.070 1.00 0.00 C ATOM 592 CD LYS A 39 3.547 -4.363 -6.399 1.00 0.00 C ATOM 593 CE LYS A 39 3.360 -4.211 -7.910 1.00 0.00 C ATOM 594 NZ LYS A 39 3.789 -2.847 -8.330 1.00 0.00 N ATOM 0 H LYS A 39 7.778 -3.158 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 39 5.751 -1.999 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.943 -4.062 -4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.380 -3.296 -4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.621 -4.047 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.355 -5.426 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.064 -5.277 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.070 -3.533 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.944 -4.966 -8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.315 -4.373 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.285 -2.577 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.568 -2.166 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.813 -2.845 -8.509 1.00 0.00 H new ATOM 608 N VAL A 40 5.849 -1.213 -3.087 1.00 0.00 N ATOM 609 CA VAL A 40 5.426 -0.146 -2.148 1.00 0.00 C ATOM 610 C VAL A 40 6.130 1.135 -2.566 1.00 0.00 C ATOM 611 O VAL A 40 5.755 2.224 -2.182 1.00 0.00 O ATOM 612 CB VAL A 40 5.835 -0.519 -0.722 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.610 0.676 0.207 1.00 0.00 C ATOM 614 CG2 VAL A 40 4.988 -1.701 -0.242 1.00 0.00 C ATOM 0 H VAL A 40 6.383 -1.976 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 40 4.344 -0.017 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 40 6.890 -0.795 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.902 0.408 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.211 1.519 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.556 0.953 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.278 -1.968 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.934 -1.423 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.148 -2.554 -0.901 1.00 0.00 H new ATOM 624 N ARG A 41 7.140 1.007 -3.382 1.00 0.00 N ATOM 625 CA ARG A 41 7.862 2.215 -3.862 1.00 0.00 C ATOM 626 C ARG A 41 6.980 2.927 -4.885 1.00 0.00 C ATOM 627 O ARG A 41 6.566 4.053 -4.692 1.00 0.00 O ATOM 628 CB ARG A 41 9.180 1.803 -4.519 1.00 0.00 C ATOM 629 CG ARG A 41 10.299 1.832 -3.476 1.00 0.00 C ATOM 630 CD ARG A 41 11.586 1.285 -4.094 1.00 0.00 C ATOM 631 NE ARG A 41 12.028 2.190 -5.190 1.00 0.00 N ATOM 632 CZ ARG A 41 12.929 1.790 -6.043 1.00 0.00 C ATOM 633 NH1 ARG A 41 12.696 0.750 -6.796 1.00 0.00 N ATOM 634 NH2 ARG A 41 14.064 2.427 -6.143 1.00 0.00 N ATOM 0 H ARG A 41 7.495 0.119 -3.736 1.00 0.00 H new ATOM 0 HA ARG A 41 8.079 2.878 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.090 0.803 -4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.416 2.479 -5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.457 2.852 -3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.017 1.235 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.364 1.208 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.419 0.280 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 41 11.626 3.124 -5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.810 0.251 -6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.400 0.436 -7.464 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.247 3.239 -5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.768 2.113 -6.811 1.00 0.00 H new ATOM 648 N GLU A 42 6.671 2.263 -5.967 1.00 0.00 N ATOM 649 CA GLU A 42 5.794 2.881 -6.999 1.00 0.00 C ATOM 650 C GLU A 42 4.436 3.160 -6.366 1.00 0.00 C ATOM 651 O GLU A 42 3.846 4.207 -6.552 1.00 0.00 O ATOM 652 CB GLU A 42 5.626 1.915 -8.176 1.00 0.00 C ATOM 653 CG GLU A 42 6.852 2.000 -9.086 1.00 0.00 C ATOM 654 CD GLU A 42 6.553 1.289 -10.409 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.460 1.469 -10.921 1.00 0.00 O ATOM 656 OE2 GLU A 42 7.421 0.574 -10.883 1.00 0.00 O ATOM 0 H GLU A 42 6.990 1.318 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 42 6.236 3.808 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.503 0.896 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.725 2.163 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.110 3.043 -9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.712 1.540 -8.600 1.00 0.00 H new ATOM 663 N ILE A 43 3.946 2.221 -5.608 1.00 0.00 N ATOM 664 CA ILE A 43 2.632 2.397 -4.934 1.00 0.00 C ATOM 665 C ILE A 43 2.601 3.764 -4.246 1.00 0.00 C ATOM 666 O ILE A 43 1.743 4.583 -4.512 1.00 0.00 O ATOM 667 CB ILE A 43 2.465 1.280 -3.899 1.00 0.00 C ATOM 668 CG1 ILE A 43 2.040 -0.007 -4.609 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.398 1.668 -2.872 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.233 -1.197 -3.667 1.00 0.00 C ATOM 0 H ILE A 43 4.406 1.329 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 43 1.819 2.348 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 43 3.414 1.125 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.996 0.062 -4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.630 -0.147 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.288 0.867 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.699 2.584 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.447 1.830 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.930 -2.114 -4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.283 -1.269 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.624 -1.057 -2.774 1.00 0.00 H new ATOM 682 N ALA A 44 3.534 4.022 -3.371 1.00 0.00 N ATOM 683 CA ALA A 44 3.555 5.340 -2.681 1.00 0.00 C ATOM 684 C ALA A 44 3.715 6.440 -3.732 1.00 0.00 C ATOM 685 O ALA A 44 3.111 7.491 -3.646 1.00 0.00 O ATOM 686 CB ALA A 44 4.733 5.391 -1.705 1.00 0.00 C ATOM 0 H ALA A 44 4.280 3.379 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 44 2.627 5.484 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.746 6.357 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.627 4.597 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.665 5.255 -2.253 1.00 0.00 H new ATOM 692 N GLU A 45 4.522 6.199 -4.731 1.00 0.00 N ATOM 693 CA GLU A 45 4.718 7.221 -5.797 1.00 0.00 C ATOM 694 C GLU A 45 3.378 7.511 -6.466 1.00 0.00 C ATOM 695 O GLU A 45 3.039 8.645 -6.745 1.00 0.00 O ATOM 696 CB GLU A 45 5.705 6.691 -6.839 1.00 0.00 C ATOM 697 CG GLU A 45 7.126 7.113 -6.460 1.00 0.00 C ATOM 698 CD GLU A 45 8.087 6.736 -7.588 1.00 0.00 C ATOM 699 OE1 GLU A 45 8.146 7.470 -8.561 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.750 5.718 -7.460 1.00 0.00 O ATOM 0 H GLU A 45 5.054 5.337 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 45 5.115 8.136 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.640 5.604 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.451 7.078 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.162 8.188 -6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.427 6.625 -5.533 1.00 0.00 H new ATOM 707 N LEU A 46 2.613 6.492 -6.720 1.00 0.00 N ATOM 708 CA LEU A 46 1.286 6.692 -7.368 1.00 0.00 C ATOM 709 C LEU A 46 0.384 7.489 -6.427 1.00 0.00 C ATOM 710 O LEU A 46 -0.211 8.476 -6.810 1.00 0.00 O ATOM 711 CB LEU A 46 0.649 5.331 -7.657 1.00 0.00 C ATOM 712 CG LEU A 46 1.089 4.843 -9.037 1.00 0.00 C ATOM 713 CD1 LEU A 46 1.563 3.392 -8.938 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.091 4.927 -10.008 1.00 0.00 C ATOM 0 H LEU A 46 2.848 5.523 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 46 1.412 7.237 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.944 4.611 -6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.437 5.411 -7.617 1.00 0.00 H new ATOM 0 HG LEU A 46 1.905 5.468 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.877 3.044 -9.922 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.403 3.330 -8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.747 2.767 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.222 4.579 -10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.906 4.302 -9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.430 5.960 -10.080 1.00 0.00 H new ATOM 726 N LYS A 47 0.271 7.059 -5.200 1.00 0.00 N ATOM 727 CA LYS A 47 -0.587 7.783 -4.220 1.00 0.00 C ATOM 728 C LYS A 47 0.168 8.986 -3.640 1.00 0.00 C ATOM 729 O LYS A 47 -0.280 9.608 -2.702 1.00 0.00 O ATOM 730 CB LYS A 47 -0.961 6.833 -3.083 1.00 0.00 C ATOM 731 CG LYS A 47 0.298 6.127 -2.575 1.00 0.00 C ATOM 732 CD LYS A 47 0.236 6.005 -1.053 1.00 0.00 C ATOM 733 CE LYS A 47 -0.834 4.985 -0.665 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.400 3.624 -1.088 1.00 0.00 N ATOM 0 H LYS A 47 0.740 6.231 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.485 8.136 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.433 7.387 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.687 6.099 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.380 5.138 -3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.186 6.687 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.206 5.696 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.007 6.974 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.999 5.007 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.782 5.239 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.110 3.217 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.515 3.688 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.301 3.015 -0.251 1.00 0.00 H new ATOM 748 N MET A 48 1.317 9.307 -4.165 1.00 0.00 N ATOM 749 CA MET A 48 2.092 10.455 -3.603 1.00 0.00 C ATOM 750 C MET A 48 1.386 11.791 -3.882 1.00 0.00 C ATOM 751 O MET A 48 1.223 12.590 -2.981 1.00 0.00 O ATOM 752 CB MET A 48 3.491 10.480 -4.221 1.00 0.00 C ATOM 753 CG MET A 48 4.504 10.931 -3.169 1.00 0.00 C ATOM 754 SD MET A 48 5.760 9.649 -2.946 1.00 0.00 S ATOM 755 CE MET A 48 6.953 10.657 -2.033 1.00 0.00 C ATOM 0 H MET A 48 1.753 8.830 -4.954 1.00 0.00 H new ATOM 0 HA MET A 48 2.163 10.323 -2.523 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.754 9.490 -4.593 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.511 11.157 -5.075 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.974 11.864 -3.479 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.998 11.127 -2.223 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.964 10.312 -2.252 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.853 11.700 -2.333 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.763 10.567 -0.964 1.00 0.00 H new ATOM 765 N PRO A 49 0.988 12.002 -5.111 1.00 0.00 N ATOM 766 CA PRO A 49 0.301 13.244 -5.508 1.00 0.00 C ATOM 767 C PRO A 49 -1.140 13.223 -4.997 1.00 0.00 C ATOM 768 O PRO A 49 -2.088 13.211 -5.756 1.00 0.00 O ATOM 769 CB PRO A 49 0.359 13.217 -7.037 1.00 0.00 C ATOM 770 CG PRO A 49 0.567 11.740 -7.437 1.00 0.00 C ATOM 771 CD PRO A 49 1.170 11.034 -6.207 1.00 0.00 C ATOM 0 HA PRO A 49 0.754 14.147 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.562 13.611 -7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.175 13.838 -7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.378 11.279 -7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.234 11.661 -8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.660 10.094 -5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.223 10.798 -6.359 1.00 0.00 H new ATOM 779 N ASP A 50 -1.299 13.210 -3.703 1.00 0.00 N ATOM 780 CA ASP A 50 -2.661 13.181 -3.105 1.00 0.00 C ATOM 781 C ASP A 50 -2.544 12.733 -1.647 1.00 0.00 C ATOM 782 O ASP A 50 -3.380 13.037 -0.820 1.00 0.00 O ATOM 783 CB ASP A 50 -3.541 12.195 -3.877 1.00 0.00 C ATOM 784 CG ASP A 50 -4.649 12.959 -4.605 1.00 0.00 C ATOM 785 OD1 ASP A 50 -5.175 13.895 -4.026 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.951 12.595 -5.730 1.00 0.00 O ATOM 0 H ASP A 50 -0.534 13.218 -3.028 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.111 14.172 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.938 11.638 -4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.976 11.467 -3.192 1.00 0.00 H new ATOM 791 N LEU A 51 -1.501 12.011 -1.329 1.00 0.00 N ATOM 792 CA LEU A 51 -1.312 11.539 0.071 1.00 0.00 C ATOM 793 C LEU A 51 -0.297 12.441 0.775 1.00 0.00 C ATOM 794 O LEU A 51 0.496 13.111 0.144 1.00 0.00 O ATOM 795 CB LEU A 51 -0.783 10.104 0.054 1.00 0.00 C ATOM 796 CG LEU A 51 -1.289 9.359 1.289 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.858 8.003 0.867 1.00 0.00 C ATOM 798 CD2 LEU A 51 -0.133 9.142 2.266 1.00 0.00 C ATOM 0 H LEU A 51 -0.771 11.728 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.264 11.573 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.113 9.594 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.307 10.107 0.039 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.068 9.948 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.219 7.470 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.683 8.155 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.078 7.416 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.495 8.611 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.647 8.554 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.275 10.107 2.567 1.00 0.00 H new ATOM 810 N ASN A 52 -0.314 12.462 2.080 1.00 0.00 N ATOM 811 CA ASN A 52 0.653 13.316 2.823 1.00 0.00 C ATOM 812 C ASN A 52 2.061 12.743 2.657 1.00 0.00 C ATOM 813 O ASN A 52 2.822 13.172 1.814 1.00 0.00 O ATOM 814 CB ASN A 52 0.279 13.337 4.306 1.00 0.00 C ATOM 815 CG ASN A 52 -0.411 14.662 4.638 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.034 15.340 5.571 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.416 15.060 3.906 1.00 0.00 N ATOM 0 H ASN A 52 -0.956 11.925 2.663 1.00 0.00 H new ATOM 0 HA ASN A 52 0.624 14.332 2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.382 12.502 4.537 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.172 13.216 4.919 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.884 15.941 4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.733 14.490 3.122 1.00 0.00 H new ATOM 824 N ALA A 53 2.408 11.772 3.454 1.00 0.00 N ATOM 825 CA ALA A 53 3.764 11.166 3.343 1.00 0.00 C ATOM 826 C ALA A 53 4.825 12.269 3.364 1.00 0.00 C ATOM 827 O ALA A 53 4.516 13.444 3.381 1.00 0.00 O ATOM 828 CB ALA A 53 3.866 10.387 2.029 1.00 0.00 C ATOM 0 H ALA A 53 1.811 11.371 4.178 1.00 0.00 H new ATOM 0 HA ALA A 53 3.928 10.491 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.858 9.943 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.113 9.599 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.700 11.064 1.191 1.00 0.00 H new ATOM 834 N ALA A 54 6.075 11.895 3.367 1.00 0.00 N ATOM 835 CA ALA A 54 7.164 12.914 3.388 1.00 0.00 C ATOM 836 C ALA A 54 8.149 12.638 2.247 1.00 0.00 C ATOM 837 O ALA A 54 8.782 13.538 1.730 1.00 0.00 O ATOM 838 CB ALA A 54 7.905 12.838 4.726 1.00 0.00 C ATOM 0 H ALA A 54 6.391 10.925 3.356 1.00 0.00 H new ATOM 0 HA ALA A 54 6.733 13.907 3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.701 13.582 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.207 13.034 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.335 11.844 4.848 1.00 0.00 H new ATOM 844 N SER A 55 8.283 11.402 1.849 1.00 0.00 N ATOM 845 CA SER A 55 9.222 11.066 0.747 1.00 0.00 C ATOM 846 C SER A 55 9.095 9.576 0.425 1.00 0.00 C ATOM 847 O SER A 55 8.336 8.860 1.046 1.00 0.00 O ATOM 848 CB SER A 55 10.654 11.374 1.184 1.00 0.00 C ATOM 849 OG SER A 55 11.532 10.390 0.652 1.00 0.00 O ATOM 0 H SER A 55 7.779 10.608 2.244 1.00 0.00 H new ATOM 0 HA SER A 55 8.982 11.657 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.947 12.365 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.719 11.386 2.272 1.00 0.00 H new ATOM 0 HG SER A 55 12.451 10.587 0.930 1.00 0.00 H new ATOM 855 N ILE A 56 9.829 9.105 -0.541 1.00 0.00 N ATOM 856 CA ILE A 56 9.746 7.661 -0.901 1.00 0.00 C ATOM 857 C ILE A 56 9.876 6.814 0.367 1.00 0.00 C ATOM 858 O ILE A 56 8.921 6.223 0.831 1.00 0.00 O ATOM 859 CB ILE A 56 10.879 7.308 -1.866 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.758 8.165 -3.128 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.784 5.829 -2.244 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.381 7.951 -3.760 1.00 0.00 C ATOM 0 H ILE A 56 10.483 9.655 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 56 8.787 7.460 -1.379 1.00 0.00 H new ATOM 0 HB ILE A 56 11.839 7.500 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.897 9.217 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.541 7.899 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.591 5.577 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.868 5.218 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.825 5.637 -2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.294 8.561 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.260 6.900 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.606 8.239 -3.050 1.00 0.00 H new ATOM 874 N GLU A 57 11.050 6.751 0.928 1.00 0.00 N ATOM 875 CA GLU A 57 11.246 5.945 2.165 1.00 0.00 C ATOM 876 C GLU A 57 10.212 6.352 3.216 1.00 0.00 C ATOM 877 O GLU A 57 9.788 5.552 4.026 1.00 0.00 O ATOM 878 CB GLU A 57 12.652 6.192 2.714 1.00 0.00 C ATOM 879 CG GLU A 57 12.982 5.134 3.768 1.00 0.00 C ATOM 880 CD GLU A 57 13.914 5.737 4.820 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.857 6.407 4.434 1.00 0.00 O ATOM 882 OE2 GLU A 57 13.668 5.518 5.996 1.00 0.00 O ATOM 0 H GLU A 57 11.885 7.224 0.583 1.00 0.00 H new ATOM 0 HA GLU A 57 11.124 4.888 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.381 6.154 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.713 7.188 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.066 4.777 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.456 4.272 3.298 1.00 0.00 H new ATOM 889 N ALA A 58 9.806 7.592 3.213 1.00 0.00 N ATOM 890 CA ALA A 58 8.805 8.050 4.219 1.00 0.00 C ATOM 891 C ALA A 58 7.455 7.379 3.950 1.00 0.00 C ATOM 892 O ALA A 58 6.890 6.736 4.814 1.00 0.00 O ATOM 893 CB ALA A 58 8.651 9.568 4.129 1.00 0.00 C ATOM 0 H ALA A 58 10.123 8.307 2.559 1.00 0.00 H new ATOM 0 HA ALA A 58 9.147 7.778 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.919 9.904 4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.611 10.044 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.312 9.841 3.129 1.00 0.00 H new ATOM 899 N ALA A 59 6.928 7.523 2.763 1.00 0.00 N ATOM 900 CA ALA A 59 5.612 6.889 2.456 1.00 0.00 C ATOM 901 C ALA A 59 5.725 5.378 2.640 1.00 0.00 C ATOM 902 O ALA A 59 4.899 4.754 3.274 1.00 0.00 O ATOM 903 CB ALA A 59 5.208 7.200 1.012 1.00 0.00 C ATOM 0 H ALA A 59 7.349 8.049 1.997 1.00 0.00 H new ATOM 0 HA ALA A 59 4.854 7.286 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.247 6.734 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.126 8.279 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.963 6.808 0.331 1.00 0.00 H new ATOM 909 N MET A 60 6.749 4.793 2.098 1.00 0.00 N ATOM 910 CA MET A 60 6.937 3.322 2.236 1.00 0.00 C ATOM 911 C MET A 60 7.018 2.963 3.721 1.00 0.00 C ATOM 912 O MET A 60 6.590 1.904 4.138 1.00 0.00 O ATOM 913 CB MET A 60 8.232 2.902 1.538 1.00 0.00 C ATOM 914 CG MET A 60 8.479 1.412 1.775 1.00 0.00 C ATOM 915 SD MET A 60 10.151 1.172 2.428 1.00 0.00 S ATOM 916 CE MET A 60 10.373 -0.534 1.865 1.00 0.00 C ATOM 0 H MET A 60 7.472 5.271 1.560 1.00 0.00 H new ATOM 0 HA MET A 60 6.096 2.802 1.777 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.164 3.105 0.469 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.069 3.486 1.920 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.743 1.018 2.476 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.359 0.860 0.843 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.424 -0.707 1.634 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.056 -1.220 2.650 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.773 -0.703 0.971 1.00 0.00 H new ATOM 926 N ARG A 61 7.559 3.839 4.523 1.00 0.00 N ATOM 927 CA ARG A 61 7.657 3.550 5.980 1.00 0.00 C ATOM 928 C ARG A 61 6.249 3.363 6.546 1.00 0.00 C ATOM 929 O ARG A 61 5.882 2.292 6.986 1.00 0.00 O ATOM 930 CB ARG A 61 8.347 4.717 6.689 1.00 0.00 C ATOM 931 CG ARG A 61 9.238 4.179 7.811 1.00 0.00 C ATOM 932 CD ARG A 61 8.441 4.118 9.115 1.00 0.00 C ATOM 933 NE ARG A 61 9.374 3.933 10.260 1.00 0.00 N ATOM 934 CZ ARG A 61 9.009 4.279 11.465 1.00 0.00 C ATOM 935 NH1 ARG A 61 7.756 4.542 11.716 1.00 0.00 N ATOM 936 NH2 ARG A 61 9.898 4.365 12.417 1.00 0.00 N ATOM 0 H ARG A 61 7.937 4.741 4.232 1.00 0.00 H new ATOM 0 HA ARG A 61 8.240 2.642 6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.945 5.286 5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.602 5.400 7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.607 3.187 7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.110 4.821 7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.866 5.035 9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.726 3.296 9.078 1.00 0.00 H new ATOM 0 HE ARG A 61 10.300 3.535 10.103 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.062 4.477 10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.470 4.812 12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.878 4.162 12.220 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.613 4.635 13.358 1.00 0.00 H new ATOM 950 N MET A 62 5.455 4.399 6.535 1.00 0.00 N ATOM 951 CA MET A 62 4.069 4.281 7.066 1.00 0.00 C ATOM 952 C MET A 62 3.226 3.431 6.109 1.00 0.00 C ATOM 953 O MET A 62 2.188 2.916 6.474 1.00 0.00 O ATOM 954 CB MET A 62 3.448 5.674 7.198 1.00 0.00 C ATOM 955 CG MET A 62 3.195 6.258 5.806 1.00 0.00 C ATOM 956 SD MET A 62 3.421 8.053 5.854 1.00 0.00 S ATOM 957 CE MET A 62 1.668 8.507 5.860 1.00 0.00 C ATOM 0 H MET A 62 5.707 5.322 6.181 1.00 0.00 H new ATOM 0 HA MET A 62 4.096 3.805 8.046 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.512 5.615 7.754 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.113 6.328 7.762 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.880 5.814 5.084 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.184 6.017 5.477 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.573 9.593 5.888 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.190 8.124 4.958 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.184 8.078 6.737 1.00 0.00 H new ATOM 967 N ILE A 63 3.664 3.282 4.887 1.00 0.00 N ATOM 968 CA ILE A 63 2.885 2.463 3.912 1.00 0.00 C ATOM 969 C ILE A 63 3.150 0.976 4.172 1.00 0.00 C ATOM 970 O ILE A 63 2.237 0.178 4.250 1.00 0.00 O ATOM 971 CB ILE A 63 3.309 2.826 2.482 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.670 4.159 2.078 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.848 1.734 1.511 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.161 3.976 1.904 1.00 0.00 C ATOM 0 H ILE A 63 4.525 3.690 4.522 1.00 0.00 H new ATOM 0 HA ILE A 63 1.821 2.666 4.031 1.00 0.00 H new ATOM 0 HB ILE A 63 4.395 2.913 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.869 4.914 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.112 4.518 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.151 1.997 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.302 0.783 1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.763 1.644 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.710 4.926 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.972 3.235 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.725 3.637 2.844 1.00 0.00 H new ATOM 986 N GLU A 64 4.392 0.597 4.309 1.00 0.00 N ATOM 987 CA GLU A 64 4.708 -0.837 4.563 1.00 0.00 C ATOM 988 C GLU A 64 4.070 -1.271 5.883 1.00 0.00 C ATOM 989 O GLU A 64 3.397 -2.280 5.957 1.00 0.00 O ATOM 990 CB GLU A 64 6.224 -1.022 4.646 1.00 0.00 C ATOM 991 CG GLU A 64 6.543 -2.498 4.895 1.00 0.00 C ATOM 992 CD GLU A 64 6.596 -2.762 6.402 1.00 0.00 C ATOM 993 OE1 GLU A 64 6.471 -1.810 7.154 1.00 0.00 O ATOM 994 OE2 GLU A 64 6.759 -3.910 6.777 1.00 0.00 O ATOM 0 H GLU A 64 5.200 1.218 4.256 1.00 0.00 H new ATOM 0 HA GLU A 64 4.314 -1.445 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.693 -0.688 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.633 -0.410 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.784 -3.128 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.497 -2.757 4.436 1.00 0.00 H new ATOM 1001 N GLY A 65 4.273 -0.515 6.927 1.00 0.00 N ATOM 1002 CA GLY A 65 3.675 -0.884 8.241 1.00 0.00 C ATOM 1003 C GLY A 65 2.181 -1.155 8.063 1.00 0.00 C ATOM 1004 O GLY A 65 1.609 -1.999 8.722 1.00 0.00 O ATOM 0 H GLY A 65 4.827 0.342 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.170 -1.768 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.826 -0.079 8.960 1.00 0.00 H new ATOM 1008 N THR A 66 1.544 -0.442 7.174 1.00 0.00 N ATOM 1009 CA THR A 66 0.086 -0.653 6.952 1.00 0.00 C ATOM 1010 C THR A 66 -0.139 -2.008 6.276 1.00 0.00 C ATOM 1011 O THR A 66 -1.000 -2.773 6.667 1.00 0.00 O ATOM 1012 CB THR A 66 -0.456 0.458 6.050 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.471 1.683 6.770 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.875 0.110 5.602 1.00 0.00 C ATOM 0 H THR A 66 1.971 0.278 6.592 1.00 0.00 H new ATOM 0 HA THR A 66 -0.433 -0.634 7.910 1.00 0.00 H new ATOM 0 HB THR A 66 0.183 0.558 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.403 2.119 6.692 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.259 0.903 4.960 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.862 -0.830 5.050 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.518 0.008 6.476 1.00 0.00 H new ATOM 1022 N ALA A 67 0.621 -2.308 5.260 1.00 0.00 N ATOM 1023 CA ALA A 67 0.448 -3.608 4.550 1.00 0.00 C ATOM 1024 C ALA A 67 0.540 -4.764 5.550 1.00 0.00 C ATOM 1025 O ALA A 67 -0.250 -5.685 5.520 1.00 0.00 O ATOM 1026 CB ALA A 67 1.548 -3.762 3.501 1.00 0.00 C ATOM 0 H ALA A 67 1.357 -1.707 4.889 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.529 -3.625 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.424 -4.712 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.484 -2.944 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.522 -3.741 3.989 1.00 0.00 H new ATOM 1032 N ARG A 68 1.502 -4.726 6.431 1.00 0.00 N ATOM 1033 CA ARG A 68 1.643 -5.828 7.424 1.00 0.00 C ATOM 1034 C ARG A 68 0.363 -5.937 8.255 1.00 0.00 C ATOM 1035 O ARG A 68 0.006 -6.997 8.728 1.00 0.00 O ATOM 1036 CB ARG A 68 2.827 -5.534 8.348 1.00 0.00 C ATOM 1037 CG ARG A 68 3.402 -6.850 8.876 1.00 0.00 C ATOM 1038 CD ARG A 68 4.931 -6.802 8.814 1.00 0.00 C ATOM 1039 NE ARG A 68 5.497 -7.407 10.052 1.00 0.00 N ATOM 1040 CZ ARG A 68 5.102 -8.587 10.443 1.00 0.00 C ATOM 1041 NH1 ARG A 68 4.820 -9.507 9.560 1.00 0.00 N ATOM 1042 NH2 ARG A 68 4.989 -8.849 11.717 1.00 0.00 N ATOM 0 H ARG A 68 2.195 -3.981 6.506 1.00 0.00 H new ATOM 0 HA ARG A 68 1.815 -6.768 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.595 -4.980 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.506 -4.906 9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.074 -7.016 9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.030 -7.685 8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.287 -7.342 7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.269 -5.771 8.713 1.00 0.00 H new ATOM 0 HE ARG A 68 6.194 -6.898 10.595 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.909 -9.303 8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.511 -10.430 9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.210 -8.131 12.407 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.680 -9.772 12.022 1.00 0.00 H new ATOM 1056 N SER A 69 -0.326 -4.846 8.442 1.00 0.00 N ATOM 1057 CA SER A 69 -1.579 -4.882 9.248 1.00 0.00 C ATOM 1058 C SER A 69 -2.725 -5.466 8.414 1.00 0.00 C ATOM 1059 O SER A 69 -3.832 -5.614 8.890 1.00 0.00 O ATOM 1060 CB SER A 69 -1.939 -3.463 9.686 1.00 0.00 C ATOM 1061 OG SER A 69 -0.822 -2.880 10.346 1.00 0.00 O ATOM 0 H SER A 69 -0.075 -3.929 8.071 1.00 0.00 H new ATOM 0 HA SER A 69 -1.423 -5.510 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.219 -2.863 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.801 -3.483 10.353 1.00 0.00 H new ATOM 0 HG SER A 69 -0.139 -2.642 9.685 1.00 0.00 H new ATOM 1067 N MET A 70 -2.477 -5.796 7.174 1.00 0.00 N ATOM 1068 CA MET A 70 -3.566 -6.363 6.326 1.00 0.00 C ATOM 1069 C MET A 70 -3.129 -7.717 5.755 1.00 0.00 C ATOM 1070 O MET A 70 -3.237 -8.738 6.406 1.00 0.00 O ATOM 1071 CB MET A 70 -3.879 -5.394 5.183 1.00 0.00 C ATOM 1072 CG MET A 70 -4.910 -4.366 5.651 1.00 0.00 C ATOM 1073 SD MET A 70 -6.577 -4.986 5.314 1.00 0.00 S ATOM 1074 CE MET A 70 -6.954 -3.886 3.926 1.00 0.00 C ATOM 0 H MET A 70 -1.572 -5.698 6.714 1.00 0.00 H new ATOM 0 HA MET A 70 -4.460 -6.506 6.933 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.968 -4.890 4.860 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.262 -5.942 4.322 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.790 -4.175 6.717 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.753 -3.418 5.137 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.927 -4.146 3.509 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.973 -2.854 4.275 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.189 -3.995 3.157 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.640 -7.737 4.545 1.00 0.00 N ATOM 1085 CA GLY A 71 -2.202 -9.024 3.933 1.00 0.00 C ATOM 1086 C GLY A 71 -1.222 -8.732 2.799 1.00 0.00 C ATOM 1087 O GLY A 71 -1.372 -9.209 1.690 1.00 0.00 O ATOM 0 H GLY A 71 -2.525 -6.915 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.729 -9.656 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.064 -9.572 3.553 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.217 -7.948 3.069 1.00 0.00 N ATOM 1092 CA ILE A 72 0.774 -7.613 2.011 1.00 0.00 C ATOM 1093 C ILE A 72 2.141 -7.389 2.664 1.00 0.00 C ATOM 1094 O ILE A 72 2.326 -6.479 3.447 1.00 0.00 O ATOM 1095 CB ILE A 72 0.339 -6.331 1.295 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.851 -6.636 0.381 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.499 -5.787 0.459 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -2.150 -6.234 1.082 1.00 0.00 C ATOM 0 H ILE A 72 -0.039 -7.524 3.979 1.00 0.00 H new ATOM 0 HA ILE A 72 0.836 -8.428 1.290 1.00 0.00 H new ATOM 0 HB ILE A 72 0.049 -5.585 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.750 -6.093 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.872 -7.698 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.185 -4.875 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.345 -5.567 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.794 -6.531 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.997 -6.451 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.252 -6.797 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.128 -5.167 1.305 1.00 0.00 H new ATOM 1110 N VAL A 73 3.096 -8.220 2.355 1.00 0.00 N ATOM 1111 CA VAL A 73 4.447 -8.062 2.966 1.00 0.00 C ATOM 1112 C VAL A 73 5.329 -7.191 2.069 1.00 0.00 C ATOM 1113 O VAL A 73 5.024 -6.952 0.917 1.00 0.00 O ATOM 1114 CB VAL A 73 5.086 -9.441 3.128 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.413 -9.304 3.876 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.140 -10.340 3.926 1.00 0.00 C ATOM 0 H VAL A 73 3.001 -9.002 1.706 1.00 0.00 H new ATOM 0 HA VAL A 73 4.350 -7.582 3.940 1.00 0.00 H new ATOM 0 HB VAL A 73 5.269 -9.879 2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.869 -10.287 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.084 -8.657 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.233 -8.870 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.589 -11.326 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.962 -9.901 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.193 -10.435 3.394 1.00 0.00 H new ATOM 1126 N VAL A 74 6.425 -6.715 2.596 1.00 0.00 N ATOM 1127 CA VAL A 74 7.340 -5.858 1.789 1.00 0.00 C ATOM 1128 C VAL A 74 8.784 -6.111 2.229 1.00 0.00 C ATOM 1129 O VAL A 74 9.090 -6.126 3.406 1.00 0.00 O ATOM 1130 CB VAL A 74 6.991 -4.386 2.012 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.835 -3.514 1.082 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.507 -4.164 1.709 1.00 0.00 C ATOM 0 H VAL A 74 6.727 -6.884 3.556 1.00 0.00 H new ATOM 0 HA VAL A 74 7.230 -6.099 0.732 1.00 0.00 H new ATOM 0 HB VAL A 74 7.197 -4.117 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.586 -2.465 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.892 -3.672 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.629 -3.782 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.256 -3.115 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.303 -4.433 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.904 -4.785 2.371 1.00 0.00 H new ATOM 1142 N GLU A 75 9.673 -6.312 1.297 1.00 0.00 N ATOM 1143 CA GLU A 75 11.092 -6.567 1.666 1.00 0.00 C ATOM 1144 C GLU A 75 11.987 -5.495 1.040 1.00 0.00 C ATOM 1145 O GLU A 75 11.540 -4.678 0.261 1.00 0.00 O ATOM 1146 CB GLU A 75 11.514 -7.943 1.150 1.00 0.00 C ATOM 1147 CG GLU A 75 10.546 -9.005 1.673 1.00 0.00 C ATOM 1148 CD GLU A 75 11.069 -10.396 1.313 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.111 -10.704 0.134 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.418 -11.130 2.223 1.00 0.00 O ATOM 0 H GLU A 75 9.478 -6.311 0.296 1.00 0.00 H new ATOM 0 HA GLU A 75 11.193 -6.536 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.521 -7.948 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.529 -8.169 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.439 -8.914 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.557 -8.854 1.241 1.00 0.00 H new ATOM 1157 N ASP A 76 13.248 -5.496 1.375 1.00 0.00 N ATOM 1158 CA ASP A 76 14.173 -4.481 0.801 1.00 0.00 C ATOM 1159 C ASP A 76 14.498 -4.847 -0.648 1.00 0.00 C ATOM 1160 O ASP A 76 14.340 -3.994 -1.506 1.00 0.00 O ATOM 1161 CB ASP A 76 15.464 -4.451 1.621 1.00 0.00 C ATOM 1162 CG ASP A 76 16.139 -5.822 1.562 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.447 -6.788 1.278 1.00 0.00 O ATOM 1164 OD2 ASP A 76 17.334 -5.884 1.799 1.00 0.00 O ATOM 1165 OXT ASP A 76 14.896 -5.979 -0.876 1.00 0.00 O ATOM 0 H ASP A 76 13.677 -6.157 2.022 1.00 0.00 H new ATOM 0 HA ASP A 76 13.700 -3.500 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.136 -3.686 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.244 -4.187 2.655 1.00 0.00 H new