USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 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 Set 1.1: A 71 MET CE :methyl 145:sc= -0.189 (180deg=-1.09) USER MOD Set 1.2: A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 60 ASN : amide:sc= -3.96 K(o=-5.1,f=-10!) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 8 GLN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.572 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.112) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -159:sc= -0.0828 (180deg=-0.339) USER MOD Single : A 38 SER OG : rot -22:sc= 0.198 USER MOD Single : A 41 GLN : amide:sc= -0.977 K(o=-0.98,f=-0.33) USER MOD Single : A 42 ASN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.23! K(o=-1.2!,f=-0.37) USER MOD Single : A 51 MET CE :methyl 165:sc= 0 (180deg=-0.348) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 70 THR OG1 : rot -36:sc= 0.725 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 4 45.516 11.249 14.123 1.00 0.01 N ATOM 43 CA LEU A 4 46.369 10.387 14.919 1.00 0.01 C ATOM 44 C LEU A 4 47.710 11.071 15.038 1.00 0.02 C ATOM 45 O LEU A 4 47.855 12.216 14.625 1.00 0.01 O ATOM 46 CB LEU A 4 46.518 9.019 14.262 1.00 0.01 C ATOM 47 CG LEU A 4 45.753 7.845 14.883 1.00 0.02 C ATOM 48 CD1 LEU A 4 45.842 7.855 16.409 1.00 0.02 C ATOM 49 CD2 LEU A 4 44.327 7.696 14.350 1.00 0.02 C ATOM 0 HA LEU A 4 45.934 10.223 15.905 1.00 0.01 H new ATOM 0 HB2 LEU A 4 46.206 9.110 13.222 1.00 0.01 H new ATOM 0 HB3 LEU A 4 47.578 8.763 14.255 1.00 0.01 H new ATOM 0 HG LEU A 4 46.257 6.937 14.554 1.00 0.02 H new ATOM 0 HD11 LEU A 4 45.287 7.007 16.811 1.00 0.02 H new ATOM 0 HD12 LEU A 4 46.886 7.782 16.713 1.00 0.02 H new ATOM 0 HD13 LEU A 4 45.416 8.782 16.792 1.00 0.02 H new ATOM 0 HD21 LEU A 4 43.845 6.846 14.833 1.00 0.02 H new ATOM 0 HD22 LEU A 4 43.762 8.603 14.564 1.00 0.02 H new ATOM 0 HD23 LEU A 4 44.356 7.533 13.273 1.00 0.02 H new ATOM 61 N THR A 5 48.676 10.349 15.640 1.00 0.03 N ATOM 62 CA THR A 5 50.009 10.933 15.724 1.00 0.00 C ATOM 63 C THR A 5 50.532 11.252 14.329 1.00 0.01 C ATOM 64 O THR A 5 50.052 10.697 13.343 1.00 0.00 O ATOM 65 CB THR A 5 50.993 10.034 16.524 1.00 0.01 C ATOM 66 OG1 THR A 5 51.519 8.966 15.730 1.00 0.00 O ATOM 67 CG2 THR A 5 50.336 9.473 17.792 1.00 0.02 C ATOM 0 H THR A 5 48.563 9.421 16.048 1.00 0.03 H new ATOM 0 HA THR A 5 49.934 11.867 16.281 1.00 0.00 H new ATOM 0 HB THR A 5 51.825 10.674 16.816 1.00 0.01 H new ATOM 0 HG1 THR A 5 52.133 8.428 16.271 1.00 0.00 H new ATOM 0 HG21 THR A 5 51.052 8.849 18.327 1.00 0.02 H new ATOM 0 HG22 THR A 5 50.021 10.296 18.433 1.00 0.02 H new ATOM 0 HG23 THR A 5 49.467 8.875 17.517 1.00 0.02 H new ATOM 75 N GLU A 6 51.516 12.167 14.289 1.00 0.02 N ATOM 76 CA GLU A 6 52.166 12.495 13.018 1.00 0.03 C ATOM 77 C GLU A 6 52.615 11.283 12.215 1.00 0.02 C ATOM 78 O GLU A 6 52.560 11.292 10.995 1.00 0.00 O ATOM 79 CB GLU A 6 53.340 13.445 13.247 1.00 0.02 C ATOM 80 CG GLU A 6 53.969 13.953 11.942 1.00 0.03 C ATOM 81 CD GLU A 6 55.319 14.583 12.213 1.00 0.01 C ATOM 82 OE1 GLU A 6 56.078 14.039 13.012 1.00 0.01 O ATOM 83 OE2 GLU A 6 55.613 15.619 11.623 1.00 0.01 O ATOM 0 H GLU A 6 51.868 12.677 15.099 1.00 0.02 H new ATOM 0 HA GLU A 6 51.402 12.986 12.415 1.00 0.03 H new ATOM 0 HB2 GLU A 6 53.000 14.297 13.835 1.00 0.02 H new ATOM 0 HB3 GLU A 6 54.102 12.935 13.836 1.00 0.02 H new ATOM 0 HG2 GLU A 6 54.081 13.127 11.240 1.00 0.03 H new ATOM 0 HG3 GLU A 6 53.308 14.682 11.473 1.00 0.03 H new ATOM 90 N GLU A 7 52.958 10.219 12.967 1.00 0.00 N ATOM 91 CA GLU A 7 53.271 8.955 12.299 1.00 0.03 C ATOM 92 C GLU A 7 52.140 8.564 11.361 1.00 0.02 C ATOM 93 O GLU A 7 52.267 8.611 10.143 1.00 0.02 O ATOM 94 CB GLU A 7 53.558 7.882 13.356 1.00 0.02 C ATOM 95 CG GLU A 7 54.769 8.218 14.244 1.00 0.02 C ATOM 96 CD GLU A 7 54.781 7.390 15.527 1.00 0.02 C ATOM 97 OE1 GLU A 7 54.256 6.277 15.546 1.00 0.02 O ATOM 98 OE2 GLU A 7 55.295 7.874 16.535 1.00 0.02 O ATOM 0 H GLU A 7 53.022 10.210 13.985 1.00 0.00 H new ATOM 0 HA GLU A 7 54.165 9.063 11.685 1.00 0.03 H new ATOM 0 HB2 GLU A 7 52.677 7.756 13.986 1.00 0.02 H new ATOM 0 HB3 GLU A 7 53.733 6.928 12.859 1.00 0.02 H new ATOM 0 HG2 GLU A 7 55.689 8.038 13.687 1.00 0.02 H new ATOM 0 HG3 GLU A 7 54.751 9.278 14.496 1.00 0.02 H new ATOM 105 N GLN A 8 50.987 8.309 11.995 1.00 0.02 N ATOM 106 CA GLN A 8 49.872 7.823 11.188 1.00 0.02 C ATOM 107 C GLN A 8 49.506 8.694 10.001 1.00 0.02 C ATOM 108 O GLN A 8 49.321 8.207 8.890 1.00 0.02 O ATOM 109 CB GLN A 8 48.662 7.592 12.070 1.00 0.02 C ATOM 110 CG GLN A 8 47.537 6.792 11.419 1.00 0.02 C ATOM 111 CD GLN A 8 47.837 5.311 11.492 1.00 0.02 C ATOM 112 OE1 GLN A 8 47.318 4.598 12.343 1.00 0.01 O ATOM 113 NE2 GLN A 8 48.657 4.852 10.551 1.00 0.02 N ATOM 0 H GLN A 8 50.811 8.422 12.993 1.00 0.02 H new ATOM 0 HA GLN A 8 50.215 6.886 10.750 1.00 0.02 H new ATOM 0 HB2 GLN A 8 48.982 7.072 12.973 1.00 0.02 H new ATOM 0 HB3 GLN A 8 48.267 8.559 12.382 1.00 0.02 H new ATOM 0 HG2 GLN A 8 46.593 7.004 11.921 1.00 0.02 H new ATOM 0 HG3 GLN A 8 47.420 7.096 10.379 1.00 0.02 H new ATOM 0 HE21 GLN A 8 49.060 5.494 9.868 1.00 0.02 H new ATOM 0 HE22 GLN A 8 48.883 3.858 10.512 1.00 0.02 H new ATOM 122 N ILE A 9 49.404 10.005 10.290 1.00 0.02 N ATOM 123 CA ILE A 9 49.185 10.991 9.219 1.00 0.02 C ATOM 124 C ILE A 9 50.187 10.867 8.063 1.00 0.02 C ATOM 125 O ILE A 9 49.849 10.825 6.876 1.00 0.01 O ATOM 126 CB ILE A 9 49.181 12.416 9.816 1.00 0.03 C ATOM 127 CG1 ILE A 9 48.042 12.582 10.831 1.00 0.03 C ATOM 128 CG2 ILE A 9 49.064 13.481 8.716 1.00 0.02 C ATOM 129 CD1 ILE A 9 47.930 14.003 11.398 1.00 0.01 C ATOM 0 H ILE A 9 49.468 10.397 11.230 1.00 0.02 H new ATOM 0 HA ILE A 9 48.210 10.781 8.779 1.00 0.02 H new ATOM 0 HB ILE A 9 50.132 12.557 10.330 1.00 0.03 H new ATOM 0 HG12 ILE A 9 47.099 12.314 10.354 1.00 0.03 H new ATOM 0 HG13 ILE A 9 48.194 11.882 11.653 1.00 0.03 H new ATOM 0 HG21 ILE A 9 49.064 14.473 9.168 1.00 0.02 H new ATOM 0 HG22 ILE A 9 49.909 13.394 8.033 1.00 0.02 H new ATOM 0 HG23 ILE A 9 48.136 13.334 8.164 1.00 0.02 H new ATOM 0 HD11 ILE A 9 47.104 14.047 12.108 1.00 0.01 H new ATOM 0 HD12 ILE A 9 48.859 14.267 11.904 1.00 0.01 H new ATOM 0 HD13 ILE A 9 47.747 14.706 10.585 1.00 0.01 H new ATOM 141 N ALA A 10 51.457 10.778 8.480 1.00 0.00 N ATOM 142 CA ALA A 10 52.538 10.591 7.518 1.00 0.02 C ATOM 143 C ALA A 10 52.311 9.367 6.658 1.00 0.00 C ATOM 144 O ALA A 10 52.292 9.459 5.435 1.00 0.02 O ATOM 145 CB ALA A 10 53.900 10.484 8.209 1.00 0.02 C ATOM 0 H ALA A 10 51.752 10.832 9.455 1.00 0.00 H new ATOM 0 HA ALA A 10 52.540 11.475 6.880 1.00 0.02 H new ATOM 0 HB1 ALA A 10 54.679 10.345 7.459 1.00 0.02 H new ATOM 0 HB2 ALA A 10 54.096 11.397 8.771 1.00 0.02 H new ATOM 0 HB3 ALA A 10 53.897 9.633 8.890 1.00 0.02 H new ATOM 151 N GLU A 11 52.039 8.243 7.333 1.00 0.03 N ATOM 152 CA GLU A 11 51.703 7.042 6.569 1.00 0.00 C ATOM 153 C GLU A 11 50.478 7.193 5.695 1.00 0.02 C ATOM 154 O GLU A 11 50.361 6.607 4.626 1.00 0.02 O ATOM 155 CB GLU A 11 51.513 5.802 7.438 1.00 0.02 C ATOM 156 CG GLU A 11 52.791 5.262 8.084 1.00 0.02 C ATOM 157 CD GLU A 11 52.945 5.829 9.477 1.00 0.03 C ATOM 158 OE1 GLU A 11 52.025 5.673 10.279 1.00 0.02 O ATOM 159 OE2 GLU A 11 53.980 6.433 9.755 1.00 0.03 O ATOM 0 H GLU A 11 52.044 8.142 8.348 1.00 0.03 H new ATOM 0 HA GLU A 11 52.577 6.907 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 11 50.796 6.035 8.226 1.00 0.02 H new ATOM 0 HB3 GLU A 11 51.071 5.014 6.828 1.00 0.02 H new ATOM 0 HG2 GLU A 11 52.755 4.173 8.127 1.00 0.02 H new ATOM 0 HG3 GLU A 11 53.656 5.528 7.476 1.00 0.02 H new ATOM 166 N PHE A 12 49.540 8.043 6.144 1.00 0.00 N ATOM 167 CA PHE A 12 48.405 8.326 5.262 1.00 0.02 C ATOM 168 C PHE A 12 48.818 9.040 3.994 1.00 0.02 C ATOM 169 O PHE A 12 48.244 8.843 2.934 1.00 0.02 O ATOM 170 CB PHE A 12 47.302 9.104 5.992 1.00 0.01 C ATOM 171 CG PHE A 12 46.567 8.282 7.034 1.00 0.02 C ATOM 172 CD1 PHE A 12 46.877 6.919 7.267 1.00 0.02 C ATOM 173 CD2 PHE A 12 45.538 8.917 7.765 1.00 0.02 C ATOM 174 CE1 PHE A 12 46.136 6.182 8.208 1.00 0.01 C ATOM 175 CE2 PHE A 12 44.796 8.184 8.708 1.00 0.02 C ATOM 176 CZ PHE A 12 45.091 6.817 8.907 1.00 0.02 C ATOM 0 H PHE A 12 49.541 8.515 7.048 1.00 0.00 H new ATOM 0 HA PHE A 12 48.000 7.358 4.967 1.00 0.02 H new ATOM 0 HB2 PHE A 12 47.743 9.977 6.474 1.00 0.01 H new ATOM 0 HB3 PHE A 12 46.584 9.473 5.260 1.00 0.01 H new ATOM 0 HD1 PHE A 12 47.681 6.447 6.723 1.00 0.02 H new ATOM 0 HD2 PHE A 12 45.322 9.962 7.600 1.00 0.02 H new ATOM 0 HE1 PHE A 12 46.365 5.143 8.392 1.00 0.01 H new ATOM 0 HE2 PHE A 12 44.009 8.661 9.274 1.00 0.02 H new ATOM 0 HZ PHE A 12 44.503 6.246 9.610 1.00 0.02 H new ATOM 186 N LYS A 13 49.880 9.842 4.143 1.00 0.02 N ATOM 187 CA LYS A 13 50.480 10.383 2.926 1.00 0.02 C ATOM 188 C LYS A 13 51.086 9.288 2.071 1.00 0.02 C ATOM 189 O LYS A 13 50.896 9.266 0.871 1.00 0.02 O ATOM 190 CB LYS A 13 51.464 11.519 3.262 1.00 0.02 C ATOM 191 CG LYS A 13 52.043 12.298 2.070 1.00 0.02 C ATOM 192 CD LYS A 13 53.366 11.759 1.504 1.00 0.00 C ATOM 193 CE LYS A 13 54.547 11.938 2.466 1.00 0.02 C ATOM 194 NZ LYS A 13 55.788 11.416 1.873 1.00 0.00 N ATOM 0 H LYS A 13 50.313 10.114 5.026 1.00 0.02 H new ATOM 0 HA LYS A 13 49.694 10.828 2.316 1.00 0.02 H new ATOM 0 HB2 LYS A 13 50.957 12.226 3.919 1.00 0.02 H new ATOM 0 HB3 LYS A 13 52.293 11.096 3.829 1.00 0.02 H new ATOM 0 HG2 LYS A 13 51.303 12.306 1.270 1.00 0.02 H new ATOM 0 HG3 LYS A 13 52.194 13.334 2.375 1.00 0.02 H new ATOM 0 HD2 LYS A 13 53.251 10.700 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 13 53.588 12.269 0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 13 54.670 12.994 2.706 1.00 0.02 H new ATOM 0 HE3 LYS A 13 54.340 11.420 3.403 1.00 0.02 H new ATOM 0 HZ1 LYS A 13 56.574 11.547 2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 55.675 10.403 1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 55.994 11.928 0.991 1.00 0.00 H new ATOM 208 N GLU A 14 51.781 8.337 2.705 1.00 0.00 N ATOM 209 CA GLU A 14 52.291 7.221 1.897 1.00 0.02 C ATOM 210 C GLU A 14 51.208 6.375 1.226 1.00 0.02 C ATOM 211 O GLU A 14 51.300 5.908 0.106 1.00 0.00 O ATOM 212 CB GLU A 14 53.174 6.338 2.764 1.00 0.03 C ATOM 213 CG GLU A 14 54.380 7.080 3.341 1.00 0.03 C ATOM 214 CD GLU A 14 55.639 6.485 2.752 1.00 0.03 C ATOM 215 OE1 GLU A 14 55.775 5.262 2.782 1.00 0.03 O ATOM 216 OE2 GLU A 14 56.462 7.245 2.240 1.00 0.00 O ATOM 0 H GLU A 14 51.993 8.310 3.702 1.00 0.00 H new ATOM 0 HA GLU A 14 52.859 7.669 1.081 1.00 0.02 H new ATOM 0 HB2 GLU A 14 52.580 5.931 3.582 1.00 0.03 H new ATOM 0 HB3 GLU A 14 53.524 5.492 2.173 1.00 0.03 H new ATOM 0 HG2 GLU A 14 54.318 8.143 3.106 1.00 0.03 H new ATOM 0 HG3 GLU A 14 54.393 6.994 4.427 1.00 0.03 H new ATOM 223 N ALA A 15 50.108 6.243 1.967 1.00 0.02 N ATOM 224 CA ALA A 15 48.954 5.500 1.461 1.00 0.03 C ATOM 225 C ALA A 15 48.314 6.169 0.268 1.00 0.02 C ATOM 226 O ALA A 15 47.922 5.510 -0.681 1.00 0.03 O ATOM 227 CB ALA A 15 47.915 5.304 2.563 1.00 0.02 C ATOM 0 H ALA A 15 49.992 6.633 2.902 1.00 0.02 H new ATOM 0 HA ALA A 15 49.326 4.529 1.134 1.00 0.03 H new ATOM 0 HB1 ALA A 15 47.064 4.749 2.167 1.00 0.02 H new ATOM 0 HB2 ALA A 15 48.360 4.746 3.387 1.00 0.02 H new ATOM 0 HB3 ALA A 15 47.578 6.276 2.923 1.00 0.02 H new ATOM 233 N PHE A 16 48.331 7.514 0.352 1.00 0.00 N ATOM 234 CA PHE A 16 47.857 8.293 -0.777 1.00 0.02 C ATOM 235 C PHE A 16 48.535 7.870 -2.073 1.00 0.02 C ATOM 236 O PHE A 16 47.902 7.421 -3.014 1.00 0.02 O ATOM 237 CB PHE A 16 47.987 9.800 -0.482 1.00 0.00 C ATOM 238 CG PHE A 16 47.305 10.610 -1.558 1.00 0.02 C ATOM 239 CD1 PHE A 16 46.001 10.256 -1.973 1.00 0.02 C ATOM 240 CD2 PHE A 16 47.992 11.692 -2.152 1.00 0.02 C ATOM 241 CE1 PHE A 16 45.402 10.952 -3.036 1.00 0.02 C ATOM 242 CE2 PHE A 16 47.387 12.397 -3.210 1.00 0.00 C ATOM 243 CZ PHE A 16 46.106 12.005 -3.656 1.00 0.00 C ATOM 0 H PHE A 16 48.654 8.051 1.156 1.00 0.00 H new ATOM 0 HA PHE A 16 46.796 8.091 -0.923 1.00 0.02 H new ATOM 0 HB2 PHE A 16 47.544 10.026 0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 16 49.040 10.076 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 16 45.470 9.457 -1.477 1.00 0.02 H new ATOM 0 HD2 PHE A 16 48.972 11.976 -1.798 1.00 0.02 H new ATOM 0 HE1 PHE A 16 44.412 10.683 -3.375 1.00 0.02 H new ATOM 0 HE2 PHE A 16 47.897 13.228 -3.675 1.00 0.00 H new ATOM 0 HZ PHE A 16 45.656 12.523 -4.490 1.00 0.00 H new ATOM 253 N SER A 17 49.872 7.891 -2.012 1.00 0.00 N ATOM 254 CA SER A 17 50.657 7.427 -3.160 1.00 0.00 C ATOM 255 C SER A 17 50.285 6.027 -3.647 1.00 0.00 C ATOM 256 O SER A 17 50.288 5.696 -4.823 1.00 0.02 O ATOM 257 CB SER A 17 52.141 7.498 -2.779 1.00 0.09 C ATOM 258 OG SER A 17 53.011 7.209 -3.887 1.00 0.17 O ATOM 0 H SER A 17 50.416 8.212 -1.211 1.00 0.00 H new ATOM 0 HA SER A 17 50.434 8.081 -4.003 1.00 0.00 H new ATOM 0 HB2 SER A 17 52.366 8.493 -2.395 1.00 0.09 H new ATOM 0 HB3 SER A 17 52.339 6.792 -1.972 1.00 0.09 H new ATOM 0 HG SER A 17 53.944 7.268 -3.594 1.00 0.17 H new ATOM 264 N LEU A 18 49.986 5.174 -2.660 1.00 0.02 N ATOM 265 CA LEU A 18 49.647 3.791 -3.014 1.00 0.02 C ATOM 266 C LEU A 18 48.439 3.628 -3.909 1.00 0.02 C ATOM 267 O LEU A 18 48.334 2.669 -4.667 1.00 0.03 O ATOM 268 CB LEU A 18 49.434 2.955 -1.760 1.00 0.00 C ATOM 269 CG LEU A 18 50.727 2.635 -1.022 1.00 0.02 C ATOM 270 CD1 LEU A 18 50.461 2.239 0.429 1.00 0.02 C ATOM 271 CD2 LEU A 18 51.540 1.576 -1.767 1.00 0.02 C ATOM 0 H LEU A 18 49.971 5.397 -1.665 1.00 0.02 H new ATOM 0 HA LEU A 18 50.506 3.444 -3.588 1.00 0.02 H new ATOM 0 HB2 LEU A 18 48.762 3.487 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.939 2.023 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 18 51.329 3.543 -0.995 1.00 0.02 H new ATOM 0 HD11 LEU A 18 51.406 2.018 0.925 1.00 0.02 H new ATOM 0 HD12 LEU A 18 49.964 3.060 0.945 1.00 0.02 H new ATOM 0 HD13 LEU A 18 49.823 1.356 0.454 1.00 0.02 H new ATOM 0 HD21 LEU A 18 52.458 1.368 -1.217 1.00 0.02 H new ATOM 0 HD22 LEU A 18 50.953 0.661 -1.854 1.00 0.02 H new ATOM 0 HD23 LEU A 18 51.789 1.943 -2.763 1.00 0.02 H new ATOM 283 N PHE A 19 47.502 4.568 -3.743 1.00 0.02 N ATOM 284 CA PHE A 19 46.410 4.495 -4.696 1.00 0.00 C ATOM 285 C PHE A 19 46.860 5.003 -6.039 1.00 0.02 C ATOM 286 O PHE A 19 46.920 4.230 -6.988 1.00 0.02 O ATOM 287 CB PHE A 19 45.204 5.283 -4.228 1.00 0.02 C ATOM 288 CG PHE A 19 44.777 4.924 -2.833 1.00 0.02 C ATOM 289 CD1 PHE A 19 43.949 3.800 -2.618 1.00 0.02 C ATOM 290 CD2 PHE A 19 45.216 5.730 -1.766 1.00 0.00 C ATOM 291 CE1 PHE A 19 43.594 3.454 -1.301 1.00 0.02 C ATOM 292 CE2 PHE A 19 44.871 5.376 -0.455 1.00 0.02 C ATOM 293 CZ PHE A 19 44.081 4.228 -0.230 1.00 0.02 C ATOM 0 H PHE A 19 47.475 5.307 -3.040 1.00 0.02 H new ATOM 0 HA PHE A 19 46.116 3.449 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 19 45.433 6.348 -4.270 1.00 0.02 H new ATOM 0 HB3 PHE A 19 44.374 5.109 -4.913 1.00 0.02 H new ATOM 0 HD1 PHE A 19 43.593 3.214 -3.453 1.00 0.02 H new ATOM 0 HD2 PHE A 19 45.812 6.611 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 19 42.955 2.604 -1.114 1.00 0.02 H new ATOM 0 HE2 PHE A 19 45.207 5.977 0.377 1.00 0.02 H new ATOM 0 HZ PHE A 19 43.845 3.938 0.783 1.00 0.02 H new ATOM 303 N ASP A 20 47.231 6.289 -6.026 1.00 0.03 N ATOM 304 CA ASP A 20 47.597 6.957 -7.265 1.00 0.02 C ATOM 305 C ASP A 20 49.006 6.611 -7.711 1.00 0.00 C ATOM 306 O ASP A 20 49.990 7.325 -7.503 1.00 0.02 O ATOM 307 CB ASP A 20 47.397 8.474 -7.125 1.00 0.02 C ATOM 308 CG ASP A 20 47.392 9.160 -8.482 1.00 0.02 C ATOM 309 OD1 ASP A 20 47.144 8.484 -9.476 1.00 0.02 O ATOM 310 OD2 ASP A 20 47.659 10.366 -8.533 1.00 0.02 O ATOM 0 H ASP A 20 47.283 6.870 -5.189 1.00 0.03 H new ATOM 0 HA ASP A 20 46.935 6.594 -8.051 1.00 0.02 H new ATOM 0 HB2 ASP A 20 46.456 8.673 -6.612 1.00 0.02 H new ATOM 0 HB3 ASP A 20 48.192 8.892 -6.507 1.00 0.02 H new ATOM 315 N LYS A 21 49.088 5.416 -8.303 1.00 0.02 N ATOM 316 CA LYS A 21 50.411 4.890 -8.691 1.00 0.02 C ATOM 317 C LYS A 21 51.110 5.700 -9.784 1.00 0.02 C ATOM 318 O LYS A 21 52.302 5.545 -10.060 1.00 0.02 O ATOM 319 CB LYS A 21 50.315 3.383 -9.041 1.00 0.02 C ATOM 320 CG LYS A 21 49.949 2.955 -10.479 1.00 0.00 C ATOM 321 CD LYS A 21 48.823 3.801 -11.050 1.00 0.02 C ATOM 322 CE LYS A 21 47.552 3.131 -11.499 1.00 0.03 C ATOM 323 NZ LYS A 21 47.771 2.689 -12.851 1.00 0.02 N ATOM 0 H LYS A 21 48.295 4.812 -8.519 1.00 0.02 H new ATOM 0 HA LYS A 21 51.056 5.001 -7.819 1.00 0.02 H new ATOM 0 HB2 LYS A 21 51.277 2.931 -8.801 1.00 0.02 H new ATOM 0 HB3 LYS A 21 49.578 2.939 -8.371 1.00 0.02 H new ATOM 0 HG2 LYS A 21 50.828 3.040 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 21 49.653 1.906 -10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 21 48.554 4.541 -10.296 1.00 0.02 H new ATOM 0 HD3 LYS A 21 49.224 4.347 -11.904 1.00 0.02 H new ATOM 0 HE2 LYS A 21 47.309 2.289 -10.851 1.00 0.03 H new ATOM 0 HE3 LYS A 21 46.712 3.823 -11.450 1.00 0.03 H new ATOM 0 HZ1 LYS A 21 46.914 2.217 -13.205 1.00 0.02 H new ATOM 0 HZ2 LYS A 21 47.989 3.508 -13.453 1.00 0.02 H new ATOM 0 HZ3 LYS A 21 48.568 2.021 -12.873 1.00 0.02 H new ATOM 337 N ASP A 22 50.248 6.492 -10.432 1.00 0.00 N ATOM 338 CA ASP A 22 50.650 7.278 -11.601 1.00 0.02 C ATOM 339 C ASP A 22 50.870 8.734 -11.255 1.00 0.02 C ATOM 340 O ASP A 22 51.625 9.440 -11.928 1.00 0.03 O ATOM 341 CB ASP A 22 49.596 7.102 -12.704 1.00 0.00 C ATOM 342 CG ASP A 22 48.209 7.366 -12.144 1.00 0.02 C ATOM 343 OD1 ASP A 22 47.924 8.503 -11.837 1.00 0.02 O ATOM 344 OD2 ASP A 22 47.433 6.434 -11.984 1.00 0.02 O ATOM 0 H ASP A 22 49.270 6.605 -10.166 1.00 0.00 H new ATOM 0 HA ASP A 22 51.610 6.911 -11.964 1.00 0.02 H new ATOM 0 HB2 ASP A 22 49.801 7.787 -13.527 1.00 0.00 H new ATOM 0 HB3 ASP A 22 49.647 6.092 -13.109 1.00 0.00 H new ATOM 349 N GLY A 23 50.240 9.131 -10.132 1.00 0.00 N ATOM 350 CA GLY A 23 50.383 10.536 -9.780 1.00 0.00 C ATOM 351 C GLY A 23 49.518 11.493 -10.606 1.00 0.00 C ATOM 352 O GLY A 23 49.914 12.649 -10.784 1.00 0.02 O ATOM 0 H GLY A 23 49.678 8.551 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 23 50.134 10.660 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 23 51.429 10.821 -9.896 1.00 0.00 H new ATOM 356 N ASP A 24 48.378 10.988 -11.102 1.00 0.02 N ATOM 357 CA ASP A 24 47.414 11.769 -11.898 1.00 0.01 C ATOM 358 C ASP A 24 46.555 12.723 -11.082 1.00 0.02 C ATOM 359 O ASP A 24 45.835 13.530 -11.658 1.00 0.02 O ATOM 360 CB ASP A 24 46.505 10.896 -12.832 1.00 0.02 C ATOM 361 CG ASP A 24 45.711 9.823 -12.065 1.00 0.02 C ATOM 362 OD1 ASP A 24 45.521 10.037 -10.885 1.00 0.02 O ATOM 363 OD2 ASP A 24 45.349 8.755 -12.597 1.00 0.01 O ATOM 0 H ASP A 24 48.095 10.018 -10.962 1.00 0.02 H new ATOM 0 HA ASP A 24 48.061 12.375 -12.533 1.00 0.01 H new ATOM 0 HB2 ASP A 24 45.809 11.545 -13.363 1.00 0.02 H new ATOM 0 HB3 ASP A 24 47.126 10.412 -13.585 1.00 0.02 H new ATOM 368 N GLY A 25 46.734 12.676 -9.758 1.00 0.02 N ATOM 369 CA GLY A 25 45.855 13.394 -8.835 1.00 0.02 C ATOM 370 C GLY A 25 44.440 12.840 -8.752 1.00 0.02 C ATOM 371 O GLY A 25 43.496 13.564 -8.457 1.00 0.00 O ATOM 0 H GLY A 25 47.479 12.148 -9.304 1.00 0.02 H new ATOM 0 HA2 GLY A 25 46.299 13.373 -7.840 1.00 0.02 H new ATOM 0 HA3 GLY A 25 45.805 14.439 -9.140 1.00 0.02 H new ATOM 375 N THR A 26 44.331 11.550 -9.074 1.00 0.02 N ATOM 376 CA THR A 26 43.041 10.880 -9.152 1.00 0.02 C ATOM 377 C THR A 26 43.182 9.395 -8.872 1.00 0.02 C ATOM 378 O THR A 26 43.767 8.617 -9.611 1.00 0.02 O ATOM 379 CB THR A 26 42.276 11.087 -10.495 1.00 0.01 C ATOM 380 OG1 THR A 26 42.961 10.584 -11.639 1.00 0.02 O ATOM 381 CG2 THR A 26 41.849 12.528 -10.787 1.00 0.00 C ATOM 0 H THR A 26 45.128 10.949 -9.285 1.00 0.02 H new ATOM 0 HA THR A 26 42.436 11.357 -8.381 1.00 0.02 H new ATOM 0 HB THR A 26 41.377 10.495 -10.323 1.00 0.01 H new ATOM 0 HG1 THR A 26 42.422 10.748 -12.441 1.00 0.02 H new ATOM 0 HG21 THR A 26 41.325 12.566 -11.742 1.00 0.00 H new ATOM 0 HG22 THR A 26 41.186 12.879 -9.996 1.00 0.00 H new ATOM 0 HG23 THR A 26 42.731 13.167 -10.831 1.00 0.00 H new ATOM 389 N ILE A 27 42.494 9.028 -7.782 1.00 0.02 N ATOM 390 CA ILE A 27 42.400 7.612 -7.436 1.00 0.02 C ATOM 391 C ILE A 27 41.250 6.965 -8.171 1.00 0.00 C ATOM 392 O ILE A 27 40.079 7.266 -7.967 1.00 0.02 O ATOM 393 CB ILE A 27 42.213 7.437 -5.925 1.00 0.00 C ATOM 394 CG1 ILE A 27 43.396 8.044 -5.167 1.00 0.02 C ATOM 395 CG2 ILE A 27 41.977 5.968 -5.538 1.00 0.02 C ATOM 396 CD1 ILE A 27 43.123 8.174 -3.665 1.00 0.01 C ATOM 0 H ILE A 27 42.013 9.667 -7.149 1.00 0.02 H new ATOM 0 HA ILE A 27 43.330 7.127 -7.734 1.00 0.02 H new ATOM 0 HB ILE A 27 41.312 7.977 -5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 27 44.279 7.424 -5.321 1.00 0.02 H new ATOM 0 HG13 ILE A 27 43.622 9.028 -5.579 1.00 0.02 H new ATOM 0 HG21 ILE A 27 41.850 5.892 -4.458 1.00 0.02 H new ATOM 0 HG22 ILE A 27 41.080 5.600 -6.036 1.00 0.02 H new ATOM 0 HG23 ILE A 27 42.834 5.369 -5.845 1.00 0.02 H new ATOM 0 HD11 ILE A 27 43.993 8.610 -3.173 1.00 0.01 H new ATOM 0 HD12 ILE A 27 42.257 8.817 -3.507 1.00 0.01 H new ATOM 0 HD13 ILE A 27 42.925 7.188 -3.245 1.00 0.01 H new ATOM 408 N THR A 28 41.588 6.023 -9.042 1.00 0.02 N ATOM 409 CA THR A 28 40.547 5.272 -9.728 1.00 0.02 C ATOM 410 C THR A 28 40.004 4.123 -8.906 1.00 0.02 C ATOM 411 O THR A 28 40.643 3.588 -8.002 1.00 0.00 O ATOM 412 CB THR A 28 41.023 4.747 -11.098 1.00 0.02 C ATOM 413 OG1 THR A 28 41.737 3.484 -11.025 1.00 0.01 O ATOM 414 CG2 THR A 28 41.821 5.794 -11.877 1.00 0.02 C ATOM 0 H THR A 28 42.545 5.766 -9.285 1.00 0.02 H new ATOM 0 HA THR A 28 39.736 5.984 -9.882 1.00 0.02 H new ATOM 0 HB THR A 28 40.108 4.545 -11.655 1.00 0.02 H new ATOM 0 HG1 THR A 28 42.008 3.209 -11.926 1.00 0.01 H new ATOM 0 HG21 THR A 28 42.133 5.376 -12.834 1.00 0.02 H new ATOM 0 HG22 THR A 28 41.198 6.671 -12.051 1.00 0.02 H new ATOM 0 HG23 THR A 28 42.701 6.082 -11.302 1.00 0.02 H new ATOM 422 N THR A 29 38.835 3.648 -9.357 1.00 0.01 N ATOM 423 CA THR A 29 38.190 2.566 -8.605 1.00 0.02 C ATOM 424 C THR A 29 39.075 1.312 -8.505 1.00 0.02 C ATOM 425 O THR A 29 39.305 0.601 -7.517 1.00 0.02 O ATOM 426 CB THR A 29 36.849 2.232 -9.280 1.00 0.01 C ATOM 427 OG1 THR A 29 37.052 1.487 -10.501 1.00 0.02 O ATOM 428 CG2 THR A 29 36.017 3.484 -9.584 1.00 0.02 C ATOM 0 H THR A 29 38.341 3.972 -10.188 1.00 0.01 H new ATOM 0 HA THR A 29 38.025 2.906 -7.583 1.00 0.02 H new ATOM 0 HB THR A 29 36.295 1.621 -8.567 1.00 0.01 H new ATOM 0 HG1 THR A 29 36.184 1.286 -10.910 1.00 0.02 H new ATOM 0 HG21 THR A 29 35.081 3.192 -10.060 1.00 0.02 H new ATOM 0 HG22 THR A 29 35.803 4.013 -8.655 1.00 0.02 H new ATOM 0 HG23 THR A 29 36.576 4.138 -10.253 1.00 0.02 H new ATOM 436 N LYS A 30 39.643 1.080 -9.701 1.00 0.02 N ATOM 437 CA LYS A 30 40.569 -0.043 -9.785 1.00 0.02 C ATOM 438 C LYS A 30 41.739 0.086 -8.827 1.00 0.01 C ATOM 439 O LYS A 30 42.187 -0.871 -8.192 1.00 0.00 O ATOM 440 CB LYS A 30 41.062 -0.213 -11.222 1.00 0.03 C ATOM 441 CG LYS A 30 41.689 -1.588 -11.453 1.00 0.03 C ATOM 442 CD LYS A 30 40.639 -2.700 -11.422 1.00 0.03 C ATOM 443 CE LYS A 30 41.092 -3.934 -10.643 1.00 0.02 C ATOM 444 NZ LYS A 30 42.339 -4.460 -11.217 1.00 0.02 N ATOM 0 H LYS A 30 39.490 1.613 -10.557 1.00 0.02 H new ATOM 0 HA LYS A 30 40.020 -0.935 -9.484 1.00 0.02 H new ATOM 0 HB2 LYS A 30 40.228 -0.074 -11.910 1.00 0.03 H new ATOM 0 HB3 LYS A 30 41.794 0.562 -11.448 1.00 0.03 H new ATOM 0 HG2 LYS A 30 42.201 -1.598 -12.415 1.00 0.03 H new ATOM 0 HG3 LYS A 30 42.443 -1.778 -10.689 1.00 0.03 H new ATOM 0 HD2 LYS A 30 39.723 -2.313 -10.976 1.00 0.03 H new ATOM 0 HD3 LYS A 30 40.398 -2.992 -12.444 1.00 0.03 H new ATOM 0 HE2 LYS A 30 41.244 -3.677 -9.595 1.00 0.02 H new ATOM 0 HE3 LYS A 30 40.316 -4.699 -10.674 1.00 0.02 H new ATOM 0 HZ1 LYS A 30 42.559 -5.380 -10.785 1.00 0.02 H new ATOM 0 HZ2 LYS A 30 42.226 -4.578 -12.244 1.00 0.02 H new ATOM 0 HZ3 LYS A 30 43.116 -3.794 -11.029 1.00 0.02 H new ATOM 458 N GLU A 31 42.271 1.327 -8.807 1.00 0.02 N ATOM 459 CA GLU A 31 43.393 1.648 -7.915 1.00 0.01 C ATOM 460 C GLU A 31 43.078 1.376 -6.467 1.00 0.02 C ATOM 461 O GLU A 31 43.837 0.700 -5.772 1.00 0.02 O ATOM 462 CB GLU A 31 43.864 3.084 -8.065 1.00 0.02 C ATOM 463 CG GLU A 31 44.606 3.336 -9.375 1.00 0.02 C ATOM 464 CD GLU A 31 45.097 4.769 -9.406 1.00 0.02 C ATOM 465 OE1 GLU A 31 44.336 5.640 -9.010 1.00 0.00 O ATOM 466 OE2 GLU A 31 46.233 4.994 -9.822 1.00 0.01 O ATOM 0 H GLU A 31 41.948 2.102 -9.385 1.00 0.02 H new ATOM 0 HA GLU A 31 44.199 0.983 -8.225 1.00 0.01 H new ATOM 0 HB2 GLU A 31 43.003 3.750 -8.008 1.00 0.02 H new ATOM 0 HB3 GLU A 31 44.518 3.335 -7.230 1.00 0.02 H new ATOM 0 HG2 GLU A 31 45.447 2.649 -9.467 1.00 0.02 H new ATOM 0 HG3 GLU A 31 43.946 3.147 -10.222 1.00 0.02 H new ATOM 473 N LEU A 32 41.860 1.783 -6.081 1.00 0.02 N ATOM 474 CA LEU A 32 41.418 1.450 -4.726 1.00 0.02 C ATOM 475 C LEU A 32 41.508 -0.041 -4.484 1.00 0.02 C ATOM 476 O LEU A 32 42.044 -0.539 -3.497 1.00 0.00 O ATOM 477 CB LEU A 32 39.979 1.888 -4.496 1.00 0.02 C ATOM 478 CG LEU A 32 39.631 2.291 -3.058 1.00 0.02 C ATOM 479 CD1 LEU A 32 38.130 2.271 -2.899 1.00 0.02 C ATOM 480 CD2 LEU A 32 40.249 1.467 -1.932 1.00 0.00 C ATOM 0 H LEU A 32 41.200 2.312 -6.651 1.00 0.02 H new ATOM 0 HA LEU A 32 42.075 1.978 -4.035 1.00 0.02 H new ATOM 0 HB2 LEU A 32 39.765 2.732 -5.152 1.00 0.02 H new ATOM 0 HB3 LEU A 32 39.318 1.075 -4.797 1.00 0.02 H new ATOM 0 HG LEU A 32 40.071 3.282 -2.943 1.00 0.02 H new ATOM 0 HD11 LEU A 32 37.868 2.556 -1.880 1.00 0.02 H new ATOM 0 HD12 LEU A 32 37.681 2.975 -3.599 1.00 0.02 H new ATOM 0 HD13 LEU A 32 37.756 1.268 -3.103 1.00 0.02 H new ATOM 0 HD21 LEU A 32 39.920 1.860 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 32 39.934 0.428 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.336 1.523 -1.994 1.00 0.00 H new ATOM 492 N GLY A 33 41.007 -0.765 -5.495 1.00 0.00 N ATOM 493 CA GLY A 33 41.138 -2.214 -5.444 1.00 0.03 C ATOM 494 C GLY A 33 42.563 -2.675 -5.211 1.00 0.02 C ATOM 495 O GLY A 33 42.821 -3.576 -4.426 1.00 0.02 O ATOM 0 H GLY A 33 40.532 -0.389 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 33 40.502 -2.602 -4.648 1.00 0.03 H new ATOM 0 HA3 GLY A 33 40.773 -2.639 -6.379 1.00 0.03 H new ATOM 499 N THR A 34 43.508 -2.012 -5.882 1.00 0.02 N ATOM 500 CA THR A 34 44.921 -2.334 -5.600 1.00 0.02 C ATOM 501 C THR A 34 45.284 -2.280 -4.123 1.00 0.00 C ATOM 502 O THR A 34 45.855 -3.229 -3.591 1.00 0.02 O ATOM 503 CB THR A 34 45.845 -1.480 -6.478 1.00 0.02 C ATOM 504 OG1 THR A 34 45.567 -1.759 -7.856 1.00 0.02 O ATOM 505 CG2 THR A 34 47.337 -1.703 -6.207 1.00 0.02 C ATOM 0 H THR A 34 43.345 -1.291 -6.584 1.00 0.02 H new ATOM 0 HA THR A 34 45.071 -3.380 -5.868 1.00 0.02 H new ATOM 0 HB THR A 34 45.639 -0.438 -6.231 1.00 0.02 H new ATOM 0 HG1 THR A 34 46.152 -1.216 -8.424 1.00 0.02 H new ATOM 0 HG21 THR A 34 47.926 -1.065 -6.866 1.00 0.02 H new ATOM 0 HG22 THR A 34 47.559 -1.456 -5.169 1.00 0.02 H new ATOM 0 HG23 THR A 34 47.589 -2.747 -6.393 1.00 0.02 H new ATOM 513 N VAL A 35 44.861 -1.195 -3.469 1.00 0.01 N ATOM 514 CA VAL A 35 45.216 -1.084 -2.056 1.00 0.02 C ATOM 515 C VAL A 35 44.453 -2.019 -1.139 1.00 0.02 C ATOM 516 O VAL A 35 45.036 -2.781 -0.380 1.00 0.02 O ATOM 517 CB VAL A 35 45.118 0.369 -1.610 1.00 0.02 C ATOM 518 CG1 VAL A 35 45.336 0.570 -0.106 1.00 0.02 C ATOM 519 CG2 VAL A 35 46.124 1.169 -2.432 1.00 0.00 C ATOM 0 H VAL A 35 44.311 -0.431 -3.861 1.00 0.01 H new ATOM 0 HA VAL A 35 46.250 -1.417 -1.968 1.00 0.02 H new ATOM 0 HB VAL A 35 44.101 0.720 -1.786 1.00 0.02 H new ATOM 0 HG11 VAL A 35 45.251 1.630 0.136 1.00 0.02 H new ATOM 0 HG12 VAL A 35 44.583 0.010 0.449 1.00 0.02 H new ATOM 0 HG13 VAL A 35 46.329 0.214 0.169 1.00 0.02 H new ATOM 0 HG21 VAL A 35 46.081 2.218 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 35 47.128 0.783 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 35 45.882 1.079 -3.491 1.00 0.00 H new ATOM 529 N MET A 36 43.123 -1.974 -1.272 1.00 0.02 N ATOM 530 CA MET A 36 42.349 -2.942 -0.487 1.00 0.02 C ATOM 531 C MET A 36 42.823 -4.381 -0.632 1.00 0.00 C ATOM 532 O MET A 36 43.007 -5.141 0.313 1.00 0.02 O ATOM 533 CB MET A 36 40.856 -2.831 -0.795 1.00 0.02 C ATOM 534 CG MET A 36 40.213 -1.613 -0.132 1.00 0.01 C ATOM 535 SD MET A 36 40.519 -1.562 1.640 1.00 0.01 S ATOM 536 CE MET A 36 41.709 -0.207 1.670 1.00 0.02 C ATOM 0 H MET A 36 42.593 -1.334 -1.864 1.00 0.02 H new ATOM 0 HA MET A 36 42.522 -2.675 0.556 1.00 0.02 H new ATOM 0 HB2 MET A 36 40.714 -2.771 -1.874 1.00 0.02 H new ATOM 0 HB3 MET A 36 40.350 -3.735 -0.456 1.00 0.02 H new ATOM 0 HG2 MET A 36 40.601 -0.704 -0.592 1.00 0.01 H new ATOM 0 HG3 MET A 36 39.138 -1.628 -0.313 1.00 0.01 H new ATOM 0 HE1 MET A 36 42.294 -0.256 2.589 1.00 0.02 H new ATOM 0 HE2 MET A 36 42.375 -0.289 0.811 1.00 0.02 H new ATOM 0 HE3 MET A 36 41.178 0.744 1.628 1.00 0.02 H new ATOM 546 N ARG A 37 43.091 -4.707 -1.890 1.00 0.02 N ATOM 547 CA ARG A 37 43.718 -5.994 -2.194 1.00 0.00 C ATOM 548 C ARG A 37 45.078 -6.226 -1.552 1.00 0.01 C ATOM 549 O ARG A 37 45.361 -7.310 -1.057 1.00 0.02 O ATOM 550 CB ARG A 37 43.856 -6.133 -3.700 1.00 0.02 C ATOM 551 CG ARG A 37 44.146 -7.531 -4.185 1.00 0.02 C ATOM 552 CD ARG A 37 42.898 -8.401 -4.147 1.00 0.00 C ATOM 553 NE ARG A 37 43.212 -9.705 -3.556 1.00 0.02 N ATOM 554 CZ ARG A 37 43.913 -10.625 -4.242 1.00 0.02 C ATOM 555 NH1 ARG A 37 44.286 -10.370 -5.495 1.00 0.02 N ATOM 556 NH2 ARG A 37 44.229 -11.777 -3.659 1.00 0.02 N ATOM 0 H ARG A 37 42.892 -4.119 -2.699 1.00 0.02 H new ATOM 0 HA ARG A 37 43.058 -6.748 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.935 -5.785 -4.168 1.00 0.02 H new ATOM 0 HB3 ARG A 37 44.655 -5.473 -4.039 1.00 0.02 H new ATOM 0 HG2 ARG A 37 44.533 -7.492 -5.203 1.00 0.02 H new ATOM 0 HG3 ARG A 37 44.923 -7.979 -3.565 1.00 0.02 H new ATOM 0 HD2 ARG A 37 42.119 -7.908 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 37 42.507 -8.535 -5.156 1.00 0.00 H new ATOM 0 HE ARG A 37 42.894 -9.918 -2.610 1.00 0.02 H new ATOM 0 HH11 ARG A 37 44.040 -9.481 -5.929 1.00 0.02 H new ATOM 0 HH12 ARG A 37 44.818 -11.064 -6.020 1.00 0.02 H new ATOM 0 HH21 ARG A 37 43.940 -11.958 -2.698 1.00 0.02 H new ATOM 0 HH22 ARG A 37 44.760 -12.480 -4.173 1.00 0.02 H new ATOM 570 N SER A 38 45.911 -5.173 -1.621 1.00 0.02 N ATOM 571 CA SER A 38 47.295 -5.266 -1.141 1.00 0.02 C ATOM 572 C SER A 38 47.391 -5.501 0.349 1.00 0.02 C ATOM 573 O SER A 38 48.256 -6.195 0.861 1.00 0.02 O ATOM 574 CB SER A 38 48.112 -4.021 -1.527 1.00 0.00 C ATOM 575 OG SER A 38 47.591 -2.843 -0.899 1.00 0.02 O ATOM 0 H SER A 38 45.653 -4.262 -1.999 1.00 0.02 H new ATOM 0 HA SER A 38 47.719 -6.139 -1.637 1.00 0.02 H new ATOM 0 HB2 SER A 38 49.153 -4.161 -1.236 1.00 0.00 H new ATOM 0 HB3 SER A 38 48.098 -3.895 -2.610 1.00 0.00 H new ATOM 0 HG SER A 38 46.657 -2.994 -0.645 1.00 0.02 H new ATOM 581 N LEU A 39 46.401 -4.905 1.021 1.00 0.02 N ATOM 582 CA LEU A 39 46.281 -5.098 2.464 1.00 0.00 C ATOM 583 C LEU A 39 45.854 -6.506 2.848 1.00 0.02 C ATOM 584 O LEU A 39 45.772 -6.836 4.024 1.00 0.03 O ATOM 585 CB LEU A 39 45.327 -4.038 3.025 1.00 0.01 C ATOM 586 CG LEU A 39 45.884 -2.619 3.266 1.00 0.02 C ATOM 587 CD1 LEU A 39 46.881 -2.082 2.233 1.00 0.00 C ATOM 588 CD2 LEU A 39 44.726 -1.641 3.440 1.00 0.02 C ATOM 0 H LEU A 39 45.692 -4.303 0.602 1.00 0.02 H new ATOM 0 HA LEU A 39 47.269 -4.975 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 39 44.482 -3.954 2.342 1.00 0.01 H new ATOM 0 HB3 LEU A 39 44.935 -4.409 3.972 1.00 0.01 H new ATOM 0 HG LEU A 39 46.480 -2.710 4.174 1.00 0.02 H new ATOM 0 HD11 LEU A 39 47.195 -1.078 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 39 47.752 -2.737 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 39 46.406 -2.049 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 39 45.119 -0.639 3.610 1.00 0.02 H new ATOM 0 HD22 LEU A 39 44.111 -1.642 2.540 1.00 0.02 H new ATOM 0 HD23 LEU A 39 44.120 -1.943 4.294 1.00 0.02 H new ATOM 600 N GLY A 40 45.625 -7.325 1.811 1.00 0.02 N ATOM 601 CA GLY A 40 45.331 -8.724 2.049 1.00 0.02 C ATOM 602 C GLY A 40 43.845 -8.966 2.134 1.00 0.01 C ATOM 603 O GLY A 40 43.351 -9.523 3.099 1.00 0.02 O ATOM 0 H GLY A 40 45.639 -7.043 0.831 1.00 0.02 H new ATOM 0 HA2 GLY A 40 45.754 -9.328 1.247 1.00 0.02 H new ATOM 0 HA3 GLY A 40 45.807 -9.045 2.975 1.00 0.02 H new ATOM 607 N GLN A 41 43.159 -8.519 1.075 1.00 0.01 N ATOM 608 CA GLN A 41 41.697 -8.614 1.048 1.00 0.01 C ATOM 609 C GLN A 41 41.257 -8.842 -0.378 1.00 0.02 C ATOM 610 O GLN A 41 42.080 -8.788 -1.285 1.00 0.02 O ATOM 611 CB GLN A 41 41.034 -7.337 1.585 1.00 0.02 C ATOM 612 CG GLN A 41 41.207 -7.062 3.085 1.00 0.00 C ATOM 613 CD GLN A 41 40.718 -8.235 3.919 1.00 0.02 C ATOM 614 OE1 GLN A 41 41.334 -8.616 4.903 1.00 0.02 O ATOM 615 NE2 GLN A 41 39.581 -8.791 3.483 1.00 0.00 N ATOM 0 H GLN A 41 43.580 -8.099 0.246 1.00 0.01 H new ATOM 0 HA GLN A 41 41.392 -9.442 1.688 1.00 0.01 H new ATOM 0 HB2 GLN A 41 41.433 -6.486 1.033 1.00 0.02 H new ATOM 0 HB3 GLN A 41 39.967 -7.387 1.367 1.00 0.02 H new ATOM 0 HG2 GLN A 41 42.258 -6.870 3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 41 40.655 -6.163 3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 41 39.118 -8.421 2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 41 39.177 -9.584 3.981 1.00 0.00 H new ATOM 624 N ASN A 42 39.954 -9.076 -0.603 1.00 0.02 N ATOM 625 CA ASN A 42 39.514 -9.205 -2.004 1.00 0.01 C ATOM 626 C ASN A 42 38.223 -8.482 -2.282 1.00 0.00 C ATOM 627 O ASN A 42 37.160 -8.971 -1.952 1.00 0.02 O ATOM 628 CB ASN A 42 39.365 -10.675 -2.428 1.00 0.02 C ATOM 629 CG ASN A 42 39.225 -10.803 -3.942 1.00 0.02 C ATOM 630 OD1 ASN A 42 38.188 -11.077 -4.514 1.00 0.02 O ATOM 631 ND2 ASN A 42 40.380 -10.661 -4.588 1.00 0.01 N ATOM 0 H ASN A 42 39.230 -9.174 0.109 1.00 0.02 H new ATOM 0 HA ASN A 42 40.303 -8.738 -2.593 1.00 0.01 H new ATOM 0 HB2 ASN A 42 40.233 -11.243 -2.091 1.00 0.02 H new ATOM 0 HB3 ASN A 42 38.492 -11.109 -1.942 1.00 0.02 H new ATOM 0 HD21 ASN A 42 40.417 -10.783 -5.600 1.00 0.01 H new ATOM 0 HD22 ASN A 42 41.229 -10.431 -4.071 1.00 0.01 H new ATOM 638 N PRO A 43 38.384 -7.284 -2.904 1.00 0.02 N ATOM 639 CA PRO A 43 37.218 -6.526 -3.297 1.00 0.00 C ATOM 640 C PRO A 43 36.689 -6.993 -4.659 1.00 0.01 C ATOM 641 O PRO A 43 37.444 -7.306 -5.582 1.00 0.01 O ATOM 642 CB PRO A 43 37.798 -5.105 -3.261 1.00 0.02 C ATOM 643 CG PRO A 43 39.248 -5.242 -3.724 1.00 0.02 C ATOM 644 CD PRO A 43 39.652 -6.604 -3.183 1.00 0.01 C ATOM 0 HA PRO A 43 36.331 -6.628 -2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 43 37.239 -4.437 -3.916 1.00 0.02 H new ATOM 0 HB3 PRO A 43 37.745 -4.685 -2.256 1.00 0.02 H new ATOM 0 HG2 PRO A 43 39.331 -5.198 -4.810 1.00 0.02 H new ATOM 0 HG3 PRO A 43 39.876 -4.446 -3.324 1.00 0.02 H new ATOM 0 HD2 PRO A 43 40.247 -7.158 -3.909 1.00 0.01 H new ATOM 0 HD3 PRO A 43 40.257 -6.509 -2.281 1.00 0.01 H new ATOM 652 N THR A 44 35.359 -7.062 -4.726 1.00 0.02 N ATOM 653 CA THR A 44 34.692 -7.335 -5.992 1.00 0.01 C ATOM 654 C THR A 44 34.770 -6.116 -6.913 1.00 0.02 C ATOM 655 O THR A 44 35.111 -5.030 -6.467 1.00 0.02 O ATOM 656 CB THR A 44 33.253 -7.762 -5.656 1.00 0.00 C ATOM 657 OG1 THR A 44 33.317 -8.727 -4.602 1.00 0.01 O ATOM 658 CG2 THR A 44 32.467 -8.352 -6.833 1.00 0.02 C ATOM 0 H THR A 44 34.734 -6.934 -3.930 1.00 0.02 H new ATOM 0 HA THR A 44 35.178 -8.139 -6.545 1.00 0.01 H new ATOM 0 HB THR A 44 32.713 -6.860 -5.368 1.00 0.00 H new ATOM 0 HG1 THR A 44 32.410 -9.015 -4.367 1.00 0.01 H new ATOM 0 HG21 THR A 44 31.465 -8.624 -6.502 1.00 0.02 H new ATOM 0 HG22 THR A 44 32.397 -7.613 -7.631 1.00 0.02 H new ATOM 0 HG23 THR A 44 32.979 -9.239 -7.204 1.00 0.02 H new ATOM 666 N GLU A 45 34.461 -6.307 -8.209 1.00 0.02 N ATOM 667 CA GLU A 45 34.374 -5.137 -9.099 1.00 0.02 C ATOM 668 C GLU A 45 33.481 -4.038 -8.550 1.00 0.02 C ATOM 669 O GLU A 45 33.864 -2.875 -8.515 1.00 0.01 O ATOM 670 CB GLU A 45 33.948 -5.558 -10.511 1.00 0.01 C ATOM 671 CG GLU A 45 35.028 -6.402 -11.203 1.00 0.02 C ATOM 672 CD GLU A 45 34.651 -6.776 -12.631 1.00 0.02 C ATOM 673 OE1 GLU A 45 34.737 -5.913 -13.507 1.00 0.02 O ATOM 674 OE2 GLU A 45 34.317 -7.941 -12.878 1.00 0.02 O ATOM 0 H GLU A 45 34.276 -7.210 -8.645 1.00 0.02 H new ATOM 0 HA GLU A 45 35.375 -4.709 -9.155 1.00 0.02 H new ATOM 0 HB2 GLU A 45 33.020 -6.128 -10.456 1.00 0.01 H new ATOM 0 HB3 GLU A 45 33.742 -4.670 -11.109 1.00 0.01 H new ATOM 0 HG2 GLU A 45 35.967 -5.848 -11.212 1.00 0.02 H new ATOM 0 HG3 GLU A 45 35.199 -7.311 -10.626 1.00 0.02 H new ATOM 681 N ALA A 46 32.330 -4.538 -8.038 1.00 0.00 N ATOM 682 CA ALA A 46 31.397 -3.682 -7.319 1.00 0.01 C ATOM 683 C ALA A 46 32.104 -2.955 -6.200 1.00 0.00 C ATOM 684 O ALA A 46 32.108 -1.750 -6.145 1.00 0.01 O ATOM 685 CB ALA A 46 30.223 -4.495 -6.771 1.00 0.01 C ATOM 0 H ALA A 46 32.042 -5.514 -8.115 1.00 0.00 H new ATOM 0 HA ALA A 46 31.003 -2.945 -8.018 1.00 0.01 H new ATOM 0 HB1 ALA A 46 29.540 -3.834 -6.238 1.00 0.01 H new ATOM 0 HB2 ALA A 46 29.695 -4.973 -7.596 1.00 0.01 H new ATOM 0 HB3 ALA A 46 30.596 -5.258 -6.088 1.00 0.01 H new ATOM 691 N GLU A 47 32.869 -3.720 -5.405 1.00 0.02 N ATOM 692 CA GLU A 47 33.533 -3.002 -4.314 1.00 0.00 C ATOM 693 C GLU A 47 34.432 -1.866 -4.761 1.00 0.00 C ATOM 694 O GLU A 47 34.636 -0.895 -4.070 1.00 0.02 O ATOM 695 CB GLU A 47 34.366 -3.926 -3.443 1.00 0.02 C ATOM 696 CG GLU A 47 33.576 -5.040 -2.766 1.00 0.00 C ATOM 697 CD GLU A 47 32.714 -4.514 -1.650 1.00 0.01 C ATOM 698 OE1 GLU A 47 33.272 -4.114 -0.628 1.00 0.02 O ATOM 699 OE2 GLU A 47 31.496 -4.568 -1.793 1.00 0.02 O ATOM 0 H GLU A 47 33.032 -4.724 -5.480 1.00 0.02 H new ATOM 0 HA GLU A 47 32.701 -2.580 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 47 35.149 -4.374 -4.055 1.00 0.02 H new ATOM 0 HB3 GLU A 47 34.862 -3.332 -2.676 1.00 0.02 H new ATOM 0 HG2 GLU A 47 32.950 -5.542 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 47 34.265 -5.787 -2.372 1.00 0.00 H new ATOM 706 N LEU A 48 35.001 -1.986 -5.956 1.00 0.01 N ATOM 707 CA LEU A 48 35.869 -0.839 -6.334 1.00 0.02 C ATOM 708 C LEU A 48 35.105 0.465 -6.558 1.00 0.01 C ATOM 709 O LEU A 48 35.466 1.556 -6.146 1.00 0.00 O ATOM 710 CB LEU A 48 36.658 -1.226 -7.579 1.00 0.01 C ATOM 711 CG LEU A 48 37.863 -2.159 -7.399 1.00 0.01 C ATOM 712 CD1 LEU A 48 37.805 -3.105 -6.210 1.00 0.01 C ATOM 713 CD2 LEU A 48 38.087 -2.957 -8.673 1.00 0.02 C ATOM 0 H LEU A 48 34.908 -2.756 -6.619 1.00 0.01 H new ATOM 0 HA LEU A 48 36.537 -0.636 -5.497 1.00 0.02 H new ATOM 0 HB2 LEU A 48 35.969 -1.699 -8.279 1.00 0.01 H new ATOM 0 HB3 LEU A 48 37.011 -0.309 -8.050 1.00 0.01 H new ATOM 0 HG LEU A 48 38.698 -1.493 -7.185 1.00 0.01 H new ATOM 0 HD11 LEU A 48 38.709 -3.714 -6.185 1.00 0.01 H new ATOM 0 HD12 LEU A 48 37.731 -2.527 -5.289 1.00 0.01 H new ATOM 0 HD13 LEU A 48 36.933 -3.753 -6.303 1.00 0.01 H new ATOM 0 HD21 LEU A 48 38.943 -3.619 -8.542 1.00 0.02 H new ATOM 0 HD22 LEU A 48 37.199 -3.551 -8.891 1.00 0.02 H new ATOM 0 HD23 LEU A 48 38.279 -2.274 -9.501 1.00 0.02 H new ATOM 725 N GLN A 49 33.992 0.254 -7.281 1.00 0.00 N ATOM 726 CA GLN A 49 33.103 1.381 -7.549 1.00 0.00 C ATOM 727 C GLN A 49 32.418 1.914 -6.301 1.00 0.00 C ATOM 728 O GLN A 49 32.320 3.110 -6.050 1.00 0.02 O ATOM 729 CB GLN A 49 32.097 0.943 -8.623 1.00 0.01 C ATOM 730 CG GLN A 49 31.137 2.028 -9.129 1.00 0.02 C ATOM 731 CD GLN A 49 29.791 1.950 -8.428 1.00 0.02 C ATOM 732 OE1 GLN A 49 28.853 1.335 -8.933 1.00 0.00 O ATOM 733 NE2 GLN A 49 29.749 2.607 -7.264 1.00 0.01 N ATOM 0 H GLN A 49 33.701 -0.643 -7.671 1.00 0.00 H new ATOM 0 HA GLN A 49 33.694 2.222 -7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 49 32.653 0.552 -9.475 1.00 0.01 H new ATOM 0 HB3 GLN A 49 31.505 0.120 -8.224 1.00 0.01 H new ATOM 0 HG2 GLN A 49 31.578 3.011 -8.964 1.00 0.02 H new ATOM 0 HG3 GLN A 49 30.996 1.918 -10.204 1.00 0.02 H new ATOM 0 HE21 GLN A 49 30.579 3.091 -6.921 1.00 0.01 H new ATOM 0 HE22 GLN A 49 28.887 2.624 -6.719 1.00 0.01 H new ATOM 742 N ASP A 50 31.904 0.939 -5.552 1.00 0.01 N ATOM 743 CA ASP A 50 31.082 1.237 -4.398 1.00 0.01 C ATOM 744 C ASP A 50 31.905 1.789 -3.264 1.00 0.00 C ATOM 745 O ASP A 50 31.496 2.713 -2.590 1.00 0.01 O ATOM 746 CB ASP A 50 30.272 0.010 -3.945 1.00 0.01 C ATOM 747 CG ASP A 50 29.309 -0.506 -5.016 1.00 0.00 C ATOM 748 OD1 ASP A 50 28.681 0.294 -5.717 1.00 0.01 O ATOM 749 OD2 ASP A 50 29.174 -1.723 -5.137 1.00 0.00 O ATOM 0 H ASP A 50 32.046 -0.056 -5.729 1.00 0.01 H new ATOM 0 HA ASP A 50 30.372 2.007 -4.701 1.00 0.01 H new ATOM 0 HB2 ASP A 50 30.960 -0.789 -3.669 1.00 0.01 H new ATOM 0 HB3 ASP A 50 29.706 0.267 -3.050 1.00 0.01 H new ATOM 754 N MET A 51 33.116 1.233 -3.103 1.00 0.01 N ATOM 755 CA MET A 51 33.970 1.738 -2.025 1.00 0.02 C ATOM 756 C MET A 51 34.412 3.169 -2.220 1.00 0.02 C ATOM 757 O MET A 51 34.521 3.927 -1.270 1.00 0.01 O ATOM 758 CB MET A 51 35.243 0.923 -1.781 1.00 0.01 C ATOM 759 CG MET A 51 35.159 -0.484 -1.195 1.00 0.01 C ATOM 760 SD MET A 51 33.484 -1.069 -0.972 1.00 0.01 S ATOM 761 CE MET A 51 33.397 -0.701 0.783 1.00 0.01 C ATOM 0 H MET A 51 33.506 0.479 -3.669 1.00 0.01 H new ATOM 0 HA MET A 51 33.309 1.652 -1.163 1.00 0.02 H new ATOM 0 HB2 MET A 51 35.763 0.844 -2.736 1.00 0.01 H new ATOM 0 HB3 MET A 51 35.880 1.510 -1.119 1.00 0.01 H new ATOM 0 HG2 MET A 51 35.691 -1.174 -1.850 1.00 0.01 H new ATOM 0 HG3 MET A 51 35.671 -0.499 -0.233 1.00 0.01 H new ATOM 0 HE1 MET A 51 32.358 -0.730 1.110 1.00 0.01 H new ATOM 0 HE2 MET A 51 33.973 -1.441 1.339 1.00 0.01 H new ATOM 0 HE3 MET A 51 33.808 0.292 0.967 1.00 0.01 H new ATOM 771 N ILE A 52 34.658 3.505 -3.498 1.00 0.02 N ATOM 772 CA ILE A 52 34.922 4.915 -3.796 1.00 0.00 C ATOM 773 C ILE A 52 33.678 5.752 -3.543 1.00 0.02 C ATOM 774 O ILE A 52 33.660 6.660 -2.732 1.00 0.00 O ATOM 775 CB ILE A 52 35.488 5.049 -5.224 1.00 0.01 C ATOM 776 CG1 ILE A 52 36.956 4.633 -5.117 1.00 0.00 C ATOM 777 CG2 ILE A 52 35.361 6.471 -5.792 1.00 0.00 C ATOM 778 CD1 ILE A 52 37.907 5.170 -6.184 1.00 0.02 C ATOM 0 H ILE A 52 34.679 2.865 -4.292 1.00 0.02 H new ATOM 0 HA ILE A 52 35.685 5.308 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 52 34.925 4.423 -5.916 1.00 0.01 H new ATOM 0 HG12 ILE A 52 37.328 4.948 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 52 37.002 3.544 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 52 35.777 6.499 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 52 34.310 6.757 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 52 35.906 7.167 -5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 52 38.915 4.801 -5.993 1.00 0.02 H new ATOM 0 HD12 ILE A 52 37.578 4.834 -7.167 1.00 0.02 H new ATOM 0 HD13 ILE A 52 37.908 6.260 -6.155 1.00 0.02 H new ATOM 790 N ASN A 53 32.597 5.306 -4.204 1.00 0.02 N ATOM 791 CA ASN A 53 31.360 6.102 -4.157 1.00 0.02 C ATOM 792 C ASN A 53 30.759 6.296 -2.767 1.00 0.00 C ATOM 793 O ASN A 53 30.094 7.277 -2.451 1.00 0.01 O ATOM 794 CB ASN A 53 30.341 5.485 -5.108 1.00 0.01 C ATOM 795 CG ASN A 53 29.166 6.398 -5.421 1.00 0.02 C ATOM 796 OD1 ASN A 53 29.083 7.590 -5.168 1.00 0.01 O ATOM 797 ND2 ASN A 53 28.216 5.767 -6.088 1.00 0.00 N ATOM 0 H ASN A 53 32.551 4.446 -4.750 1.00 0.02 H new ATOM 0 HA ASN A 53 31.633 7.110 -4.470 1.00 0.02 H new ATOM 0 HB2 ASN A 53 30.841 5.219 -6.039 1.00 0.01 H new ATOM 0 HB3 ASN A 53 29.965 4.559 -4.672 1.00 0.01 H new ATOM 0 HD21 ASN A 53 27.390 6.276 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 53 28.308 4.771 -6.287 1.00 0.00 H new ATOM 804 N GLU A 54 31.036 5.290 -1.926 1.00 0.00 N ATOM 805 CA GLU A 54 30.571 5.427 -0.544 1.00 0.00 C ATOM 806 C GLU A 54 31.256 6.547 0.224 1.00 0.01 C ATOM 807 O GLU A 54 30.701 7.141 1.152 1.00 0.00 O ATOM 808 CB GLU A 54 30.662 4.111 0.249 1.00 0.00 C ATOM 809 CG GLU A 54 32.090 3.619 0.540 1.00 0.01 C ATOM 810 CD GLU A 54 32.143 2.550 1.621 1.00 0.01 C ATOM 811 OE1 GLU A 54 31.189 1.800 1.773 1.00 0.01 O ATOM 812 OE2 GLU A 54 33.145 2.459 2.329 1.00 0.01 O ATOM 0 H GLU A 54 31.541 4.434 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 54 29.519 5.697 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 54 30.139 4.240 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 54 30.133 3.335 -0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.525 3.222 -0.377 1.00 0.01 H new ATOM 0 HG3 GLU A 54 32.705 4.466 0.844 1.00 0.01 H new ATOM 819 N VAL A 55 32.500 6.790 -0.204 1.00 0.01 N ATOM 820 CA VAL A 55 33.256 7.864 0.407 1.00 0.02 C ATOM 821 C VAL A 55 33.541 9.022 -0.530 1.00 0.02 C ATOM 822 O VAL A 55 34.375 9.871 -0.231 1.00 0.02 O ATOM 823 CB VAL A 55 34.544 7.328 1.051 1.00 0.01 C ATOM 824 CG1 VAL A 55 34.208 6.426 2.240 1.00 0.01 C ATOM 825 CG2 VAL A 55 35.467 6.631 0.047 1.00 0.01 C ATOM 0 H VAL A 55 32.981 6.275 -0.942 1.00 0.01 H new ATOM 0 HA VAL A 55 32.620 8.276 1.190 1.00 0.02 H new ATOM 0 HB VAL A 55 35.106 8.187 1.418 1.00 0.01 H new ATOM 0 HG11 VAL A 55 35.130 6.054 2.686 1.00 0.01 H new ATOM 0 HG12 VAL A 55 33.650 6.996 2.983 1.00 0.01 H new ATOM 0 HG13 VAL A 55 33.604 5.585 1.899 1.00 0.01 H new ATOM 0 HG21 VAL A 55 36.360 6.274 0.561 1.00 0.01 H new ATOM 0 HG22 VAL A 55 34.944 5.786 -0.402 1.00 0.01 H new ATOM 0 HG23 VAL A 55 35.755 7.336 -0.733 1.00 0.01 H new ATOM 835 N ASP A 56 32.811 9.042 -1.657 1.00 0.01 N ATOM 836 CA ASP A 56 32.985 10.134 -2.613 1.00 0.02 C ATOM 837 C ASP A 56 32.104 11.318 -2.261 1.00 0.02 C ATOM 838 O ASP A 56 30.885 11.233 -2.094 1.00 0.02 O ATOM 839 CB ASP A 56 32.755 9.641 -4.051 1.00 0.02 C ATOM 840 CG ASP A 56 33.226 10.672 -5.061 1.00 0.01 C ATOM 841 OD1 ASP A 56 34.233 11.323 -4.801 1.00 0.01 O ATOM 842 OD2 ASP A 56 32.567 10.839 -6.090 1.00 0.02 O ATOM 0 H ASP A 56 32.120 8.339 -1.918 1.00 0.01 H new ATOM 0 HA ASP A 56 34.016 10.483 -2.553 1.00 0.02 H new ATOM 0 HB2 ASP A 56 33.288 8.703 -4.207 1.00 0.02 H new ATOM 0 HB3 ASP A 56 31.696 9.435 -4.204 1.00 0.02 H new ATOM 847 N ALA A 57 32.788 12.440 -2.050 1.00 0.00 N ATOM 848 CA ALA A 57 31.965 13.557 -1.592 1.00 0.01 C ATOM 849 C ALA A 57 31.398 14.409 -2.704 1.00 0.02 C ATOM 850 O ALA A 57 30.382 15.086 -2.526 1.00 0.00 O ATOM 851 CB ALA A 57 32.724 14.450 -0.616 1.00 0.01 C ATOM 0 H ALA A 57 33.789 12.597 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 57 31.122 13.084 -1.089 1.00 0.01 H new ATOM 0 HB1 ALA A 57 32.080 15.270 -0.297 1.00 0.01 H new ATOM 0 HB2 ALA A 57 33.025 13.865 0.253 1.00 0.01 H new ATOM 0 HB3 ALA A 57 33.610 14.854 -1.106 1.00 0.01 H new ATOM 857 N ASP A 58 32.111 14.371 -3.828 1.00 0.01 N ATOM 858 CA ASP A 58 31.699 15.136 -5.013 1.00 0.01 C ATOM 859 C ASP A 58 30.833 14.360 -6.000 1.00 0.02 C ATOM 860 O ASP A 58 30.137 14.924 -6.853 1.00 0.01 O ATOM 861 CB ASP A 58 32.941 15.732 -5.709 1.00 0.02 C ATOM 862 CG ASP A 58 33.917 14.648 -6.149 1.00 0.02 C ATOM 863 OD1 ASP A 58 33.713 13.503 -5.762 1.00 0.01 O ATOM 864 OD2 ASP A 58 34.857 14.947 -6.886 1.00 0.02 O ATOM 0 H ASP A 58 32.966 13.828 -3.947 1.00 0.01 H new ATOM 0 HA ASP A 58 31.055 15.937 -4.650 1.00 0.01 H new ATOM 0 HB2 ASP A 58 32.628 16.313 -6.576 1.00 0.02 H new ATOM 0 HB3 ASP A 58 33.444 16.420 -5.029 1.00 0.02 H new ATOM 869 N GLY A 59 30.844 13.028 -5.816 1.00 0.02 N ATOM 870 CA GLY A 59 30.040 12.250 -6.754 1.00 0.01 C ATOM 871 C GLY A 59 30.701 12.066 -8.122 1.00 0.02 C ATOM 872 O GLY A 59 30.051 11.624 -9.079 1.00 0.02 O ATOM 0 H GLY A 59 31.351 12.512 -5.097 1.00 0.02 H new ATOM 0 HA2 GLY A 59 29.840 11.270 -6.322 1.00 0.01 H new ATOM 0 HA3 GLY A 59 29.077 12.742 -6.889 1.00 0.01 H new ATOM 876 N ASN A 60 31.987 12.432 -8.201 1.00 0.01 N ATOM 877 CA ASN A 60 32.680 12.345 -9.493 1.00 0.02 C ATOM 878 C ASN A 60 33.042 10.940 -9.964 1.00 0.01 C ATOM 879 O ASN A 60 33.017 10.692 -11.172 1.00 0.02 O ATOM 880 CB ASN A 60 33.887 13.296 -9.538 1.00 0.01 C ATOM 881 CG ASN A 60 34.980 12.820 -8.604 1.00 0.02 C ATOM 882 OD1 ASN A 60 34.801 11.878 -7.853 1.00 0.02 O ATOM 883 ND2 ASN A 60 36.134 13.483 -8.715 1.00 0.02 N ATOM 0 H ASN A 60 32.549 12.777 -7.423 1.00 0.01 H new ATOM 0 HA ASN A 60 31.939 12.672 -10.222 1.00 0.02 H new ATOM 0 HB2 ASN A 60 34.272 13.355 -10.556 1.00 0.01 H new ATOM 0 HB3 ASN A 60 33.574 14.302 -9.257 1.00 0.01 H new ATOM 0 HD21 ASN A 60 36.937 13.208 -8.149 1.00 0.02 H new ATOM 0 HD22 ASN A 60 36.213 14.264 -9.366 1.00 0.02 H new ATOM 890 N GLY A 61 33.310 10.060 -8.992 1.00 0.01 N ATOM 891 CA GLY A 61 33.775 8.712 -9.326 1.00 0.01 C ATOM 892 C GLY A 61 35.285 8.507 -9.278 1.00 0.02 C ATOM 893 O GLY A 61 35.834 7.702 -10.038 1.00 0.02 O ATOM 0 H GLY A 61 33.216 10.250 -7.994 1.00 0.01 H new ATOM 0 HA2 GLY A 61 33.308 8.005 -8.640 1.00 0.01 H new ATOM 0 HA3 GLY A 61 33.424 8.463 -10.328 1.00 0.01 H new ATOM 897 N THR A 62 35.889 9.267 -8.346 1.00 0.02 N ATOM 898 CA THR A 62 37.326 9.212 -8.099 1.00 0.02 C ATOM 899 C THR A 62 37.608 9.725 -6.691 1.00 0.02 C ATOM 900 O THR A 62 36.811 10.429 -6.090 1.00 0.02 O ATOM 901 CB THR A 62 38.071 10.073 -9.129 1.00 0.02 C ATOM 902 OG1 THR A 62 37.258 11.190 -9.457 1.00 0.02 O ATOM 903 CG2 THR A 62 38.424 9.361 -10.439 1.00 0.02 C ATOM 0 H THR A 62 35.391 9.929 -7.751 1.00 0.02 H new ATOM 0 HA THR A 62 37.672 8.183 -8.191 1.00 0.02 H new ATOM 0 HB THR A 62 39.014 10.345 -8.656 1.00 0.02 H new ATOM 0 HG1 THR A 62 37.722 11.751 -10.113 1.00 0.02 H new ATOM 0 HG21 THR A 62 38.947 10.052 -11.099 1.00 0.02 H new ATOM 0 HG22 THR A 62 39.066 8.506 -10.227 1.00 0.02 H new ATOM 0 HG23 THR A 62 37.510 9.018 -10.924 1.00 0.02 H new ATOM 911 N ILE A 63 38.792 9.361 -6.192 1.00 0.01 N ATOM 912 CA ILE A 63 39.087 9.865 -4.842 1.00 0.02 C ATOM 913 C ILE A 63 40.379 10.649 -4.842 1.00 0.02 C ATOM 914 O ILE A 63 41.346 10.232 -5.485 1.00 0.01 O ATOM 915 CB ILE A 63 39.163 8.702 -3.827 1.00 0.02 C ATOM 916 CG1 ILE A 63 37.843 7.951 -3.698 1.00 0.02 C ATOM 917 CG2 ILE A 63 39.586 9.141 -2.418 1.00 0.00 C ATOM 918 CD1 ILE A 63 36.754 8.688 -2.915 1.00 0.02 C ATOM 0 H ILE A 63 39.500 8.780 -6.642 1.00 0.01 H new ATOM 0 HA ILE A 63 38.277 10.529 -4.541 1.00 0.02 H new ATOM 0 HB ILE A 63 39.930 8.048 -4.241 1.00 0.02 H new ATOM 0 HG12 ILE A 63 37.467 7.733 -4.698 1.00 0.02 H new ATOM 0 HG13 ILE A 63 38.033 6.993 -3.213 1.00 0.02 H new ATOM 0 HG21 ILE A 63 39.617 8.272 -1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 63 40.574 9.600 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 63 38.867 9.863 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 63 35.854 8.074 -2.878 1.00 0.02 H new ATOM 0 HD12 ILE A 63 37.103 8.882 -1.901 1.00 0.02 H new ATOM 0 HD13 ILE A 63 36.528 9.634 -3.408 1.00 0.02 H new ATOM 930 N ASP A 64 40.408 11.751 -4.094 1.00 0.01 N ATOM 931 CA ASP A 64 41.652 12.494 -3.954 1.00 0.01 C ATOM 932 C ASP A 64 42.219 12.426 -2.528 1.00 0.02 C ATOM 933 O ASP A 64 41.678 11.796 -1.628 1.00 0.02 O ATOM 934 CB ASP A 64 41.424 13.937 -4.471 1.00 0.01 C ATOM 935 CG ASP A 64 40.619 14.818 -3.508 1.00 0.02 C ATOM 936 OD1 ASP A 64 40.309 14.370 -2.408 1.00 0.01 O ATOM 937 OD2 ASP A 64 40.378 15.994 -3.792 1.00 0.01 O ATOM 0 H ASP A 64 39.609 12.137 -3.591 1.00 0.01 H new ATOM 0 HA ASP A 64 42.428 12.032 -4.565 1.00 0.01 H new ATOM 0 HB2 ASP A 64 42.391 14.405 -4.654 1.00 0.01 H new ATOM 0 HB3 ASP A 64 40.905 13.892 -5.428 1.00 0.01 H new ATOM 942 N PHE A 65 43.330 13.138 -2.278 1.00 0.02 N ATOM 943 CA PHE A 65 43.768 13.190 -0.867 1.00 0.01 C ATOM 944 C PHE A 65 42.805 13.754 0.206 1.00 0.03 C ATOM 945 O PHE A 65 42.692 13.217 1.326 1.00 0.02 O ATOM 946 CB PHE A 65 45.179 13.817 -0.753 1.00 0.00 C ATOM 947 CG PHE A 65 45.533 14.179 0.674 1.00 0.02 C ATOM 948 CD1 PHE A 65 45.751 13.161 1.631 1.00 0.01 C ATOM 949 CD2 PHE A 65 45.603 15.544 1.031 1.00 0.00 C ATOM 950 CE1 PHE A 65 46.007 13.515 2.968 1.00 0.02 C ATOM 951 CE2 PHE A 65 45.863 15.899 2.366 1.00 0.02 C ATOM 952 CZ PHE A 65 46.051 14.880 3.325 1.00 0.02 C ATOM 0 H PHE A 65 43.898 13.643 -2.958 1.00 0.02 H new ATOM 0 HA PHE A 65 43.778 12.134 -0.597 1.00 0.01 H new ATOM 0 HB2 PHE A 65 45.918 13.116 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 65 45.229 14.711 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 65 45.721 12.122 1.338 1.00 0.01 H new ATOM 0 HD2 PHE A 65 45.458 16.310 0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 65 46.168 12.750 3.714 1.00 0.02 H new ATOM 0 HE2 PHE A 65 45.918 16.938 2.655 1.00 0.02 H new ATOM 0 HZ PHE A 65 46.233 15.151 4.355 1.00 0.02 H new ATOM 962 N PRO A 66 42.200 14.952 -0.068 1.00 0.02 N ATOM 963 CA PRO A 66 41.155 15.454 0.832 1.00 0.02 C ATOM 964 C PRO A 66 40.061 14.460 1.230 1.00 0.01 C ATOM 965 O PRO A 66 39.754 14.308 2.412 1.00 0.01 O ATOM 966 CB PRO A 66 40.605 16.689 0.108 1.00 0.02 C ATOM 967 CG PRO A 66 41.691 17.157 -0.857 1.00 0.01 C ATOM 968 CD PRO A 66 42.500 15.902 -1.146 1.00 0.02 C ATOM 0 HA PRO A 66 41.583 15.674 1.810 1.00 0.02 H new ATOM 0 HB2 PRO A 66 39.689 16.445 -0.430 1.00 0.02 H new ATOM 0 HB3 PRO A 66 40.356 17.476 0.820 1.00 0.02 H new ATOM 0 HG2 PRO A 66 41.262 17.573 -1.769 1.00 0.01 H new ATOM 0 HG3 PRO A 66 42.310 17.936 -0.412 1.00 0.01 H new ATOM 0 HD2 PRO A 66 42.233 15.484 -2.116 1.00 0.02 H new ATOM 0 HD3 PRO A 66 43.566 16.127 -1.178 1.00 0.02 H new ATOM 976 N GLU A 67 39.507 13.793 0.211 1.00 0.02 N ATOM 977 CA GLU A 67 38.466 12.762 0.323 1.00 0.01 C ATOM 978 C GLU A 67 39.023 11.502 0.941 1.00 0.02 C ATOM 979 O GLU A 67 38.425 10.839 1.776 1.00 0.02 O ATOM 980 CB GLU A 67 37.861 12.423 -1.039 1.00 0.02 C ATOM 981 CG GLU A 67 37.149 13.582 -1.745 1.00 0.01 C ATOM 982 CD GLU A 67 36.704 13.172 -3.141 1.00 0.01 C ATOM 983 OE1 GLU A 67 37.388 12.364 -3.772 1.00 0.02 O ATOM 984 OE2 GLU A 67 35.670 13.673 -3.584 1.00 0.00 O ATOM 0 H GLU A 67 39.783 13.964 -0.756 1.00 0.02 H new ATOM 0 HA GLU A 67 37.684 13.169 0.964 1.00 0.01 H new ATOM 0 HB2 GLU A 67 38.655 12.055 -1.689 1.00 0.02 H new ATOM 0 HB3 GLU A 67 37.151 11.606 -0.910 1.00 0.02 H new ATOM 0 HG2 GLU A 67 36.284 13.894 -1.160 1.00 0.01 H new ATOM 0 HG3 GLU A 67 37.817 14.441 -1.809 1.00 0.01 H new ATOM 991 N PHE A 68 40.284 11.250 0.614 1.00 0.01 N ATOM 992 CA PHE A 68 40.953 10.119 1.258 1.00 0.02 C ATOM 993 C PHE A 68 41.061 10.328 2.756 1.00 0.02 C ATOM 994 O PHE A 68 40.914 9.429 3.576 1.00 0.02 O ATOM 995 CB PHE A 68 42.343 9.898 0.644 1.00 0.01 C ATOM 996 CG PHE A 68 43.134 8.837 1.371 1.00 0.02 C ATOM 997 CD1 PHE A 68 42.695 7.496 1.345 1.00 0.02 C ATOM 998 CD2 PHE A 68 44.304 9.214 2.068 1.00 0.02 C ATOM 999 CE1 PHE A 68 43.445 6.519 2.020 1.00 0.02 C ATOM 1000 CE2 PHE A 68 45.055 8.234 2.739 1.00 0.02 C ATOM 1001 CZ PHE A 68 44.624 6.892 2.701 1.00 0.00 C ATOM 0 H PHE A 68 40.843 11.779 -0.056 1.00 0.01 H new ATOM 0 HA PHE A 68 40.349 9.228 1.086 1.00 0.02 H new ATOM 0 HB2 PHE A 68 42.233 9.612 -0.402 1.00 0.01 H new ATOM 0 HB3 PHE A 68 42.898 10.836 0.661 1.00 0.01 H new ATOM 0 HD1 PHE A 68 41.795 7.225 0.813 1.00 0.02 H new ATOM 0 HD2 PHE A 68 44.618 10.247 2.085 1.00 0.02 H new ATOM 0 HE1 PHE A 68 43.122 5.489 2.018 1.00 0.02 H new ATOM 0 HE2 PHE A 68 45.951 8.505 3.277 1.00 0.02 H new ATOM 0 HZ PHE A 68 45.207 6.134 3.203 1.00 0.00 H new ATOM 1011 N LEU A 69 41.397 11.563 3.133 1.00 0.02 N ATOM 1012 CA LEU A 69 41.542 11.813 4.581 1.00 0.02 C ATOM 1013 C LEU A 69 40.237 11.718 5.354 1.00 0.02 C ATOM 1014 O LEU A 69 40.168 11.204 6.466 1.00 0.02 O ATOM 1015 CB LEU A 69 42.227 13.153 4.860 1.00 0.02 C ATOM 1016 CG LEU A 69 42.506 13.378 6.355 1.00 0.01 C ATOM 1017 CD1 LEU A 69 43.983 13.212 6.710 1.00 0.02 C ATOM 1018 CD2 LEU A 69 41.909 14.695 6.853 1.00 0.02 C ATOM 0 H LEU A 69 41.565 12.357 2.515 1.00 0.02 H new ATOM 0 HA LEU A 69 42.180 11.007 4.944 1.00 0.02 H new ATOM 0 HB2 LEU A 69 43.166 13.198 4.309 1.00 0.02 H new ATOM 0 HB3 LEU A 69 41.599 13.962 4.486 1.00 0.02 H new ATOM 0 HG LEU A 69 41.990 12.585 6.897 1.00 0.01 H new ATOM 0 HD11 LEU A 69 44.122 13.382 7.778 1.00 0.02 H new ATOM 0 HD12 LEU A 69 44.306 12.202 6.458 1.00 0.02 H new ATOM 0 HD13 LEU A 69 44.576 13.933 6.148 1.00 0.02 H new ATOM 0 HD21 LEU A 69 42.128 14.816 7.914 1.00 0.02 H new ATOM 0 HD22 LEU A 69 42.343 15.525 6.296 1.00 0.02 H new ATOM 0 HD23 LEU A 69 40.829 14.684 6.705 1.00 0.02 H new ATOM 1030 N THR A 70 39.180 12.222 4.710 1.00 0.02 N ATOM 1031 CA THR A 70 37.856 12.082 5.330 1.00 0.01 C ATOM 1032 C THR A 70 37.468 10.617 5.540 1.00 0.02 C ATOM 1033 O THR A 70 37.073 10.191 6.631 1.00 0.02 O ATOM 1034 CB THR A 70 36.809 12.812 4.491 1.00 0.13 C ATOM 1035 OG1 THR A 70 36.774 12.203 3.209 1.00 0.18 O ATOM 1036 CG2 THR A 70 37.106 14.308 4.359 1.00 0.11 C ATOM 0 H THR A 70 39.205 12.704 3.811 1.00 0.02 H new ATOM 0 HA THR A 70 37.901 12.538 6.319 1.00 0.01 H new ATOM 0 HB THR A 70 35.842 12.732 4.988 1.00 0.13 H new ATOM 0 HG1 THR A 70 37.678 11.924 2.955 1.00 0.18 H new ATOM 0 HG21 THR A 70 36.332 14.780 3.754 1.00 0.11 H new ATOM 0 HG22 THR A 70 37.122 14.765 5.349 1.00 0.11 H new ATOM 0 HG23 THR A 70 38.076 14.446 3.881 1.00 0.11 H new ATOM 1044 N MET A 71 37.742 9.840 4.477 1.00 0.02 N ATOM 1045 CA MET A 71 37.576 8.387 4.579 1.00 0.02 C ATOM 1046 C MET A 71 38.397 7.797 5.722 1.00 0.02 C ATOM 1047 O MET A 71 37.991 6.991 6.553 1.00 0.02 O ATOM 1048 CB MET A 71 37.969 7.748 3.250 1.00 0.28 C ATOM 1049 CG MET A 71 37.933 6.221 3.280 1.00 0.67 C ATOM 1050 SD MET A 71 38.561 5.536 1.748 1.00 1.89 S ATOM 1051 CE MET A 71 39.643 4.285 2.445 1.00 2.60 C ATOM 0 H MET A 71 38.067 10.180 3.572 1.00 0.02 H new ATOM 0 HA MET A 71 36.530 8.173 4.799 1.00 0.02 H new ATOM 0 HB2 MET A 71 37.297 8.105 2.470 1.00 0.28 H new ATOM 0 HB3 MET A 71 38.973 8.076 2.980 1.00 0.28 H new ATOM 0 HG2 MET A 71 38.528 5.856 4.117 1.00 0.67 H new ATOM 0 HG3 MET A 71 36.910 5.881 3.443 1.00 0.67 H new ATOM 0 HE1 MET A 71 39.642 3.404 1.803 1.00 2.60 H new ATOM 0 HE2 MET A 71 40.656 4.680 2.518 1.00 2.60 H new ATOM 0 HE3 MET A 71 39.288 4.010 3.438 1.00 2.60 H new ATOM 1061 N MET A 72 39.630 8.295 5.792 1.00 0.00 N ATOM 1062 CA MET A 72 40.540 7.842 6.848 1.00 0.02 C ATOM 1063 C MET A 72 40.097 8.175 8.252 1.00 0.02 C ATOM 1064 O MET A 72 40.436 7.491 9.210 1.00 0.02 O ATOM 1065 CB MET A 72 41.947 8.374 6.619 1.00 0.02 C ATOM 1066 CG MET A 72 42.697 7.680 5.487 1.00 0.02 C ATOM 1067 SD MET A 72 41.678 6.594 4.474 1.00 0.02 S ATOM 1068 CE MET A 72 42.270 5.021 5.111 1.00 0.02 C ATOM 0 H MET A 72 40.016 8.990 5.153 1.00 0.00 H new ATOM 0 HA MET A 72 40.527 6.755 6.775 1.00 0.02 H new ATOM 0 HB2 MET A 72 41.890 9.441 6.403 1.00 0.02 H new ATOM 0 HB3 MET A 72 42.520 8.266 7.540 1.00 0.02 H new ATOM 0 HG2 MET A 72 43.146 8.439 4.846 1.00 0.02 H new ATOM 0 HG3 MET A 72 43.515 7.098 5.913 1.00 0.02 H new ATOM 0 HE1 MET A 72 41.754 4.206 4.604 1.00 0.02 H new ATOM 0 HE2 MET A 72 43.342 4.937 4.934 1.00 0.02 H new ATOM 0 HE3 MET A 72 42.073 4.965 6.182 1.00 0.02 H new ATOM 1078 N ALA A 73 39.288 9.231 8.326 1.00 0.01 N ATOM 1079 CA ALA A 73 38.665 9.498 9.622 1.00 0.02 C ATOM 1080 C ALA A 73 37.674 8.419 10.028 1.00 0.01 C ATOM 1081 O ALA A 73 37.507 8.094 11.194 1.00 0.02 O ATOM 1082 CB ALA A 73 37.973 10.859 9.612 1.00 0.01 C ATOM 0 H ALA A 73 39.060 9.873 7.567 1.00 0.01 H new ATOM 0 HA ALA A 73 39.467 9.499 10.361 1.00 0.02 H new ATOM 0 HB1 ALA A 73 37.515 11.041 10.584 1.00 0.01 H new ATOM 0 HB2 ALA A 73 38.706 11.638 9.404 1.00 0.01 H new ATOM 0 HB3 ALA A 73 37.203 10.870 8.840 1.00 0.01 H new