USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 679 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 72 SER OG : rot -97:sc= 1.45 USER MOD Set 1.2: A 73 THR OG1 : rot 87:sc= 0.399 USER MOD Set 2.1: A 67 GLN : amide:sc= -5.83! C(o=-9.1!,f=-17!) USER MOD Set 2.2: A 71 SER OG : rot -80:sc= -3.32! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0938 (180deg=-2.57!) USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= -0.397 (180deg=-1.3!) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -0.168 (180deg=-0.579) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 92:sc= 0.00541 USER MOD Single : A 15 THR OG1 : rot 65:sc= 1.08 USER MOD Single : A 16 THR OG1 : rot 87:sc= 0.881 USER MOD Single : A 21 SER OG : rot 83:sc= 0.346 USER MOD Single : A 22 SER OG : rot 58:sc= -0.212! USER MOD Single : A 24 THR OG1 : rot -178:sc= -4.62! USER MOD Single : A 37 SER OG : rot -43:sc= 0.82 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.8!) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= -0.054 (180deg=-0.414) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.0274 (180deg=-0.404) USER MOD Single : A 77 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.28) USER MOD Single : A 80 LYS NZ :NH3+ -125:sc= -2.71 (180deg=-3.97!) USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.303 2.411 -1.000 1.00 0.00 N ATOM 2 CA MET A 1 -3.744 2.190 -0.698 1.00 0.00 C ATOM 3 C MET A 1 -3.896 0.869 0.054 1.00 0.00 C ATOM 4 O MET A 1 -3.230 0.644 1.065 1.00 0.00 O ATOM 5 CB MET A 1 -4.534 2.154 -2.015 1.00 0.00 C ATOM 6 CG MET A 1 -6.019 2.401 -1.733 1.00 0.00 C ATOM 7 SD MET A 1 -6.962 2.224 -3.267 1.00 0.00 S ATOM 8 CE MET A 1 -8.513 2.931 -2.660 1.00 0.00 C ATOM 0 H1 MET A 1 -2.025 3.363 -0.686 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.731 1.701 -0.501 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.146 2.324 -2.024 1.00 0.00 H new ATOM 0 HA MET A 1 -4.131 2.998 -0.077 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.153 2.912 -2.700 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.402 1.188 -2.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.381 1.693 -0.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.160 3.400 -1.320 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.254 2.922 -3.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.878 2.340 -1.820 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.342 3.957 -2.335 1.00 0.00 H new ATOM 20 N LYS A 2 -4.767 -0.003 -0.443 1.00 0.00 N ATOM 21 CA LYS A 2 -4.984 -1.295 0.192 1.00 0.00 C ATOM 22 C LYS A 2 -3.718 -2.142 0.114 1.00 0.00 C ATOM 23 O LYS A 2 -3.578 -3.134 0.830 1.00 0.00 O ATOM 24 CB LYS A 2 -6.140 -2.030 -0.500 1.00 0.00 C ATOM 25 CG LYS A 2 -7.480 -1.462 -0.018 1.00 0.00 C ATOM 26 CD LYS A 2 -8.635 -2.084 -0.819 1.00 0.00 C ATOM 27 CE LYS A 2 -8.919 -3.513 -0.334 1.00 0.00 C ATOM 28 NZ LYS A 2 -9.083 -3.526 1.146 1.00 0.00 N ATOM 0 H LYS A 2 -5.330 0.161 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.236 -1.131 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.057 -1.921 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.087 -3.097 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.611 -1.669 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.488 -0.378 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.531 -1.472 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.384 -2.097 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.821 -3.895 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.101 -4.173 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.695 -4.321 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.152 -3.634 1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.516 -2.633 1.455 1.00 0.00 H new ATOM 42 N ASP A 3 -2.799 -1.742 -0.758 1.00 0.00 N ATOM 43 CA ASP A 3 -1.544 -2.469 -0.923 1.00 0.00 C ATOM 44 C ASP A 3 -0.946 -2.795 0.448 1.00 0.00 C ATOM 45 O ASP A 3 -1.292 -2.172 1.451 1.00 0.00 O ATOM 46 CB ASP A 3 -0.542 -1.627 -1.766 1.00 0.00 C ATOM 47 CG ASP A 3 -1.016 -0.179 -1.881 1.00 0.00 C ATOM 48 OD1 ASP A 3 -1.820 0.094 -2.756 1.00 0.00 O ATOM 49 OD2 ASP A 3 -0.565 0.634 -1.089 1.00 0.00 O ATOM 0 H ASP A 3 -2.897 -0.923 -1.359 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.741 -3.402 -1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.444 -1.656 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.441 -2.062 -2.760 1.00 0.00 H new ATOM 54 N PRO A 4 -0.055 -3.749 0.498 1.00 0.00 N ATOM 55 CA PRO A 4 0.611 -4.156 1.770 1.00 0.00 C ATOM 56 C PRO A 4 1.556 -3.070 2.283 1.00 0.00 C ATOM 57 O PRO A 4 2.068 -3.150 3.396 1.00 0.00 O ATOM 58 CB PRO A 4 1.373 -5.439 1.392 1.00 0.00 C ATOM 59 CG PRO A 4 1.600 -5.336 -0.084 1.00 0.00 C ATOM 60 CD PRO A 4 0.413 -4.551 -0.647 1.00 0.00 C ATOM 0 HA PRO A 4 -0.099 -4.316 2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.317 -5.511 1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 4 0.795 -6.329 1.641 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.540 -4.827 -0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.663 -6.325 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.712 -3.918 -1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.368 -5.216 -1.015 1.00 0.00 H new ATOM 68 N LYS A 5 1.777 -2.052 1.462 1.00 0.00 N ATOM 69 CA LYS A 5 2.658 -0.962 1.849 1.00 0.00 C ATOM 70 C LYS A 5 2.060 -0.201 3.027 1.00 0.00 C ATOM 71 O LYS A 5 2.710 0.663 3.616 1.00 0.00 O ATOM 72 CB LYS A 5 2.862 -0.008 0.670 1.00 0.00 C ATOM 73 CG LYS A 5 3.597 -0.740 -0.453 1.00 0.00 C ATOM 74 CD LYS A 5 3.822 0.217 -1.626 1.00 0.00 C ATOM 75 CE LYS A 5 4.625 -0.492 -2.718 1.00 0.00 C ATOM 76 NZ LYS A 5 3.855 -1.665 -3.223 1.00 0.00 N ATOM 0 H LYS A 5 1.363 -1.959 0.534 1.00 0.00 H new ATOM 0 HA LYS A 5 3.622 -1.378 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.899 0.357 0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.435 0.863 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.553 -1.118 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.016 -1.603 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.864 0.552 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.355 1.105 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.834 0.198 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.587 -0.818 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.268 -1.992 -4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.894 -2.433 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.864 -1.389 -3.379 1.00 0.00 H new ATOM 90 N THR A 6 0.812 -0.532 3.366 1.00 0.00 N ATOM 91 CA THR A 6 0.115 0.120 4.477 1.00 0.00 C ATOM 92 C THR A 6 -0.618 -0.908 5.344 1.00 0.00 C ATOM 93 O THR A 6 -0.421 -0.952 6.559 1.00 0.00 O ATOM 94 CB THR A 6 -0.889 1.143 3.932 1.00 0.00 C ATOM 95 OG1 THR A 6 -0.185 2.195 3.288 1.00 0.00 O ATOM 96 CG2 THR A 6 -1.724 1.713 5.081 1.00 0.00 C ATOM 0 H THR A 6 0.264 -1.247 2.888 1.00 0.00 H new ATOM 0 HA THR A 6 0.856 0.627 5.095 1.00 0.00 H new ATOM 0 HB THR A 6 -1.551 0.655 3.217 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.824 2.850 2.937 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.436 2.439 4.688 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.265 0.905 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.067 2.201 5.801 1.00 0.00 H new ATOM 104 N LEU A 7 -1.481 -1.713 4.729 1.00 0.00 N ATOM 105 CA LEU A 7 -2.243 -2.706 5.485 1.00 0.00 C ATOM 106 C LEU A 7 -1.305 -3.699 6.174 1.00 0.00 C ATOM 107 O LEU A 7 -1.439 -3.967 7.368 1.00 0.00 O ATOM 108 CB LEU A 7 -3.189 -3.467 4.539 1.00 0.00 C ATOM 109 CG LEU A 7 -4.378 -4.057 5.331 1.00 0.00 C ATOM 110 CD1 LEU A 7 -5.504 -3.015 5.430 1.00 0.00 C ATOM 111 CD2 LEU A 7 -4.909 -5.309 4.619 1.00 0.00 C ATOM 0 H LEU A 7 -1.669 -1.700 3.727 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.824 -2.187 6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.557 -2.795 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.645 -4.267 4.036 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.039 -4.325 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.340 -3.435 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.134 -2.127 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.837 -2.743 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.747 -5.720 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.242 -5.043 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.116 -6.054 4.553 1.00 0.00 H new ATOM 123 N LEU A 8 -0.352 -4.235 5.418 1.00 0.00 N ATOM 124 CA LEU A 8 0.601 -5.189 5.978 1.00 0.00 C ATOM 125 C LEU A 8 1.506 -4.485 6.979 1.00 0.00 C ATOM 126 O LEU A 8 1.933 -5.078 7.971 1.00 0.00 O ATOM 127 CB LEU A 8 1.436 -5.829 4.855 1.00 0.00 C ATOM 128 CG LEU A 8 2.072 -7.167 5.322 1.00 0.00 C ATOM 129 CD1 LEU A 8 2.311 -8.071 4.096 1.00 0.00 C ATOM 130 CD2 LEU A 8 3.413 -6.918 6.062 1.00 0.00 C ATOM 0 H LEU A 8 -0.219 -4.029 4.428 1.00 0.00 H new ATOM 0 HA LEU A 8 0.054 -5.979 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.804 -6.008 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.221 -5.139 4.543 1.00 0.00 H new ATOM 0 HG LEU A 8 1.388 -7.655 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.757 -9.011 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.361 -8.271 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.984 -7.570 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.837 -7.871 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.110 -6.415 5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.235 -6.292 6.937 1.00 0.00 H new ATOM 142 N ARG A 9 1.799 -3.220 6.707 1.00 0.00 N ATOM 143 CA ARG A 9 2.665 -2.438 7.579 1.00 0.00 C ATOM 144 C ARG A 9 2.085 -2.362 8.985 1.00 0.00 C ATOM 145 O ARG A 9 2.828 -2.350 9.967 1.00 0.00 O ATOM 146 CB ARG A 9 2.840 -1.018 7.025 1.00 0.00 C ATOM 147 CG ARG A 9 3.967 -0.274 7.801 1.00 0.00 C ATOM 148 CD ARG A 9 5.225 -0.153 6.930 1.00 0.00 C ATOM 149 NE ARG A 9 5.559 -1.447 6.345 1.00 0.00 N ATOM 150 CZ ARG A 9 6.679 -1.620 5.651 1.00 0.00 C ATOM 151 NH1 ARG A 9 7.514 -0.628 5.502 1.00 0.00 N ATOM 152 NH2 ARG A 9 6.945 -2.782 5.120 1.00 0.00 N ATOM 0 H ARG A 9 1.451 -2.715 5.892 1.00 0.00 H new ATOM 0 HA ARG A 9 3.636 -2.932 7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.086 -1.061 5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.903 -0.467 7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.622 0.718 8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.203 -0.813 8.719 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.060 0.580 6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.059 0.209 7.531 1.00 0.00 H new ATOM 0 HE ARG A 9 4.921 -2.233 6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.307 0.280 5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.374 -0.761 4.969 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.293 -3.558 5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.805 -2.915 4.587 1.00 0.00 H new ATOM 166 N VAL A 10 0.761 -2.307 9.078 1.00 0.00 N ATOM 167 CA VAL A 10 0.105 -2.226 10.375 1.00 0.00 C ATOM 168 C VAL A 10 0.694 -3.254 11.337 1.00 0.00 C ATOM 169 O VAL A 10 0.835 -2.982 12.525 1.00 0.00 O ATOM 170 CB VAL A 10 -1.406 -2.468 10.214 1.00 0.00 C ATOM 171 CG1 VAL A 10 -2.059 -2.624 11.594 1.00 0.00 C ATOM 172 CG2 VAL A 10 -2.046 -1.285 9.473 1.00 0.00 C ATOM 0 H VAL A 10 0.127 -2.317 8.279 1.00 0.00 H new ATOM 0 HA VAL A 10 0.268 -1.230 10.786 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.560 -3.380 9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.129 -2.795 11.473 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.612 -3.471 12.114 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.900 -1.716 12.176 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.116 -1.461 9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.886 -0.370 10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.591 -1.183 8.488 1.00 0.00 H new ATOM 182 N SER A 11 1.023 -4.438 10.830 1.00 0.00 N ATOM 183 CA SER A 11 1.578 -5.482 11.685 1.00 0.00 C ATOM 184 C SER A 11 2.790 -4.961 12.454 1.00 0.00 C ATOM 185 O SER A 11 2.896 -5.166 13.662 1.00 0.00 O ATOM 186 CB SER A 11 1.992 -6.687 10.840 1.00 0.00 C ATOM 187 OG SER A 11 0.863 -7.162 10.119 1.00 0.00 O ATOM 0 H SER A 11 0.918 -4.696 9.849 1.00 0.00 H new ATOM 0 HA SER A 11 0.810 -5.783 12.398 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.788 -6.406 10.150 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.388 -7.476 11.479 1.00 0.00 H new ATOM 0 HG SER A 11 0.828 -6.726 9.242 1.00 0.00 H new ATOM 193 N ILE A 12 3.692 -4.276 11.757 1.00 0.00 N ATOM 194 CA ILE A 12 4.876 -3.731 12.409 1.00 0.00 C ATOM 195 C ILE A 12 4.481 -2.655 13.414 1.00 0.00 C ATOM 196 O ILE A 12 4.949 -2.660 14.554 1.00 0.00 O ATOM 197 CB ILE A 12 5.833 -3.152 11.364 1.00 0.00 C ATOM 198 CG1 ILE A 12 6.187 -4.238 10.347 1.00 0.00 C ATOM 199 CG2 ILE A 12 7.116 -2.659 12.043 1.00 0.00 C ATOM 200 CD1 ILE A 12 6.940 -3.612 9.171 1.00 0.00 C ATOM 0 H ILE A 12 3.627 -4.088 10.757 1.00 0.00 H new ATOM 0 HA ILE A 12 5.382 -4.536 12.943 1.00 0.00 H new ATOM 0 HB ILE A 12 5.349 -2.315 10.861 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.801 -5.006 10.818 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.280 -4.728 9.992 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.791 -2.249 11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.869 -1.885 12.770 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.602 -3.492 12.551 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.192 -4.387 8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.311 -2.860 8.695 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.855 -3.142 9.533 1.00 0.00 H new ATOM 212 N ILE A 13 3.626 -1.731 12.990 1.00 0.00 N ATOM 213 CA ILE A 13 3.196 -0.656 13.877 1.00 0.00 C ATOM 214 C ILE A 13 2.440 -1.240 15.069 1.00 0.00 C ATOM 215 O ILE A 13 2.678 -0.854 16.213 1.00 0.00 O ATOM 216 CB ILE A 13 2.299 0.336 13.100 1.00 0.00 C ATOM 217 CG1 ILE A 13 3.166 1.271 12.228 1.00 0.00 C ATOM 218 CG2 ILE A 13 1.475 1.185 14.082 1.00 0.00 C ATOM 219 CD1 ILE A 13 3.571 0.554 10.935 1.00 0.00 C ATOM 0 H ILE A 13 3.222 -1.703 12.054 1.00 0.00 H new ATOM 0 HA ILE A 13 4.070 -0.120 14.247 1.00 0.00 H new ATOM 0 HB ILE A 13 1.627 -0.237 12.460 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.612 2.179 11.992 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.056 1.575 12.779 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.847 1.880 13.524 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.845 0.533 14.687 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.147 1.745 14.732 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.182 1.220 10.326 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.143 -0.341 11.179 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.676 0.273 10.379 1.00 0.00 H new ATOM 231 N GLY A 14 1.534 -2.170 14.790 1.00 0.00 N ATOM 232 CA GLY A 14 0.756 -2.801 15.846 1.00 0.00 C ATOM 233 C GLY A 14 1.656 -3.635 16.747 1.00 0.00 C ATOM 234 O GLY A 14 1.480 -3.660 17.965 1.00 0.00 O ATOM 0 H GLY A 14 1.322 -2.501 13.849 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.247 -2.039 16.436 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.016 -3.433 15.408 1.00 0.00 H new ATOM 238 N THR A 15 2.625 -4.314 16.136 1.00 0.00 N ATOM 239 CA THR A 15 3.558 -5.145 16.887 1.00 0.00 C ATOM 240 C THR A 15 4.506 -4.274 17.705 1.00 0.00 C ATOM 241 O THR A 15 5.117 -4.736 18.668 1.00 0.00 O ATOM 242 CB THR A 15 4.362 -6.035 15.936 1.00 0.00 C ATOM 243 OG1 THR A 15 3.475 -6.901 15.242 1.00 0.00 O ATOM 244 CG2 THR A 15 5.371 -6.867 16.733 1.00 0.00 C ATOM 0 H THR A 15 2.783 -4.304 15.128 1.00 0.00 H new ATOM 0 HA THR A 15 2.985 -5.777 17.565 1.00 0.00 H new ATOM 0 HB THR A 15 4.899 -5.410 15.222 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.883 -6.371 14.668 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.941 -7.499 16.051 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.051 -6.202 17.265 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.840 -7.493 17.450 1.00 0.00 H new ATOM 252 N THR A 16 4.622 -3.011 17.316 1.00 0.00 N ATOM 253 CA THR A 16 5.488 -2.080 18.030 1.00 0.00 C ATOM 254 C THR A 16 4.857 -1.627 19.348 1.00 0.00 C ATOM 255 O THR A 16 5.531 -1.563 20.375 1.00 0.00 O ATOM 256 CB THR A 16 5.792 -0.863 17.150 1.00 0.00 C ATOM 257 OG1 THR A 16 6.313 -1.301 15.904 1.00 0.00 O ATOM 258 CG2 THR A 16 6.815 0.042 17.849 1.00 0.00 C ATOM 0 H THR A 16 4.132 -2.609 16.517 1.00 0.00 H new ATOM 0 HA THR A 16 6.417 -2.600 18.263 1.00 0.00 H new ATOM 0 HB THR A 16 4.874 -0.299 16.983 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.574 -1.481 15.286 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.027 0.906 17.219 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.410 0.380 18.803 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.735 -0.516 18.023 1.00 0.00 H new ATOM 266 N LEU A 17 3.566 -1.295 19.312 1.00 0.00 N ATOM 267 CA LEU A 17 2.860 -0.827 20.506 1.00 0.00 C ATOM 268 C LEU A 17 2.800 -1.910 21.585 1.00 0.00 C ATOM 269 O LEU A 17 3.063 -1.644 22.757 1.00 0.00 O ATOM 270 CB LEU A 17 1.440 -0.404 20.117 1.00 0.00 C ATOM 271 CG LEU A 17 0.709 0.209 21.332 1.00 0.00 C ATOM 272 CD1 LEU A 17 -0.479 1.044 20.831 1.00 0.00 C ATOM 273 CD2 LEU A 17 0.206 -0.894 22.307 1.00 0.00 C ATOM 0 H LEU A 17 2.989 -1.341 18.472 1.00 0.00 H new ATOM 0 HA LEU A 17 3.407 0.022 20.917 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.480 0.321 19.304 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.885 -1.266 19.748 1.00 0.00 H new ATOM 0 HG LEU A 17 1.410 0.841 21.878 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.001 1.481 21.682 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.116 1.840 20.181 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.164 0.405 20.274 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.304 -0.429 23.151 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.486 -1.554 21.784 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.055 -1.473 22.670 1.00 0.00 H new ATOM 285 N VAL A 18 2.467 -3.130 21.181 1.00 0.00 N ATOM 286 CA VAL A 18 2.385 -4.239 22.129 1.00 0.00 C ATOM 287 C VAL A 18 3.762 -4.531 22.713 1.00 0.00 C ATOM 288 O VAL A 18 3.884 -4.866 23.892 1.00 0.00 O ATOM 289 CB VAL A 18 1.831 -5.484 21.440 1.00 0.00 C ATOM 290 CG1 VAL A 18 2.823 -5.957 20.391 1.00 0.00 C ATOM 291 CG2 VAL A 18 1.607 -6.596 22.471 1.00 0.00 C ATOM 0 H VAL A 18 2.251 -3.377 20.215 1.00 0.00 H new ATOM 0 HA VAL A 18 1.711 -3.959 22.938 1.00 0.00 H new ATOM 0 HB VAL A 18 0.880 -5.242 20.966 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.433 -6.846 19.896 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.977 -5.169 19.654 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.773 -6.196 20.870 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.212 -7.481 21.972 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.554 -6.843 22.951 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.896 -6.256 23.224 1.00 0.00 H new ATOM 301 N ALA A 19 4.801 -4.398 21.892 1.00 0.00 N ATOM 302 CA ALA A 19 6.154 -4.650 22.365 1.00 0.00 C ATOM 303 C ALA A 19 6.403 -3.863 23.644 1.00 0.00 C ATOM 304 O ALA A 19 6.648 -4.446 24.701 1.00 0.00 O ATOM 305 CB ALA A 19 7.173 -4.249 21.293 1.00 0.00 C ATOM 0 H ALA A 19 4.732 -4.122 20.913 1.00 0.00 H new ATOM 0 HA ALA A 19 6.267 -5.714 22.571 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.181 -4.442 21.659 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.998 -4.831 20.388 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.066 -3.188 21.068 1.00 0.00 H new ATOM 311 N LEU A 20 6.338 -2.539 23.545 1.00 0.00 N ATOM 312 CA LEU A 20 6.566 -1.701 24.714 1.00 0.00 C ATOM 313 C LEU A 20 5.699 -2.201 25.863 1.00 0.00 C ATOM 314 O LEU A 20 6.212 -2.507 26.936 1.00 0.00 O ATOM 315 CB LEU A 20 6.232 -0.234 24.394 1.00 0.00 C ATOM 316 CG LEU A 20 7.438 0.448 23.740 1.00 0.00 C ATOM 317 CD1 LEU A 20 7.777 -0.257 22.426 1.00 0.00 C ATOM 318 CD2 LEU A 20 7.098 1.913 23.453 1.00 0.00 C ATOM 0 H LEU A 20 6.133 -2.032 22.684 1.00 0.00 H new ATOM 0 HA LEU A 20 7.616 -1.757 25.000 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.371 -0.186 23.727 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.958 0.293 25.308 1.00 0.00 H new ATOM 0 HG LEU A 20 8.293 0.393 24.413 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.635 0.230 21.963 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.016 -1.302 22.625 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.922 -0.202 21.753 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.954 2.401 22.988 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.242 1.963 22.780 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.855 2.420 24.387 1.00 0.00 H new ATOM 330 N SER A 21 4.395 -2.325 25.626 1.00 0.00 N ATOM 331 CA SER A 21 3.493 -2.825 26.656 1.00 0.00 C ATOM 332 C SER A 21 4.075 -4.070 27.307 1.00 0.00 C ATOM 333 O SER A 21 3.828 -4.329 28.480 1.00 0.00 O ATOM 334 CB SER A 21 2.122 -3.137 26.054 1.00 0.00 C ATOM 335 OG SER A 21 1.620 -1.974 25.409 1.00 0.00 O ATOM 0 H SER A 21 3.945 -2.089 24.741 1.00 0.00 H new ATOM 0 HA SER A 21 3.374 -2.055 27.418 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.203 -3.957 25.341 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.434 -3.460 26.835 1.00 0.00 H new ATOM 0 HG SER A 21 2.007 -1.905 24.511 1.00 0.00 H new ATOM 341 N SER A 22 4.831 -4.854 26.554 1.00 0.00 N ATOM 342 CA SER A 22 5.422 -6.064 27.110 1.00 0.00 C ATOM 343 C SER A 22 6.398 -5.744 28.250 1.00 0.00 C ATOM 344 O SER A 22 6.599 -6.568 29.144 1.00 0.00 O ATOM 345 CB SER A 22 6.155 -6.839 26.010 1.00 0.00 C ATOM 346 OG SER A 22 5.426 -6.722 24.794 1.00 0.00 O ATOM 0 H SER A 22 5.048 -4.680 25.573 1.00 0.00 H new ATOM 0 HA SER A 22 4.614 -6.672 27.517 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.164 -6.447 25.883 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.253 -7.888 26.290 1.00 0.00 H new ATOM 0 HG SER A 22 5.328 -5.775 24.561 1.00 0.00 H new ATOM 352 N PHE A 23 7.026 -4.555 28.208 1.00 0.00 N ATOM 353 CA PHE A 23 8.006 -4.164 29.244 1.00 0.00 C ATOM 354 C PHE A 23 7.552 -2.943 30.054 1.00 0.00 C ATOM 355 O PHE A 23 7.851 -2.841 31.241 1.00 0.00 O ATOM 356 CB PHE A 23 9.349 -3.851 28.580 1.00 0.00 C ATOM 357 CG PHE A 23 9.835 -5.076 27.840 1.00 0.00 C ATOM 358 CD1 PHE A 23 10.274 -6.196 28.556 1.00 0.00 C ATOM 359 CD2 PHE A 23 9.839 -5.095 26.441 1.00 0.00 C ATOM 360 CE1 PHE A 23 10.716 -7.334 27.873 1.00 0.00 C ATOM 361 CE2 PHE A 23 10.280 -6.234 25.756 1.00 0.00 C ATOM 362 CZ PHE A 23 10.720 -7.353 26.472 1.00 0.00 C ATOM 0 H PHE A 23 6.877 -3.856 27.480 1.00 0.00 H new ATOM 0 HA PHE A 23 8.099 -5.002 29.935 1.00 0.00 H new ATOM 0 HB2 PHE A 23 9.241 -3.014 27.890 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.079 -3.552 29.332 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.271 -6.181 29.636 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.502 -4.230 25.889 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.054 -8.198 28.426 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.281 -6.249 24.676 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.063 -8.231 25.945 1.00 0.00 H new ATOM 372 N THR A 24 6.842 -2.017 29.411 1.00 0.00 N ATOM 373 CA THR A 24 6.374 -0.799 30.087 1.00 0.00 C ATOM 374 C THR A 24 5.795 -1.080 31.488 1.00 0.00 C ATOM 375 O THR A 24 6.161 -0.399 32.446 1.00 0.00 O ATOM 376 CB THR A 24 5.323 -0.067 29.208 1.00 0.00 C ATOM 377 OG1 THR A 24 5.196 -0.744 27.972 1.00 0.00 O ATOM 378 CG2 THR A 24 5.748 1.384 28.934 1.00 0.00 C ATOM 0 H THR A 24 6.577 -2.082 28.428 1.00 0.00 H new ATOM 0 HA THR A 24 7.245 -0.158 30.226 1.00 0.00 H new ATOM 0 HB THR A 24 4.373 -0.061 29.743 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.556 -0.268 27.402 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.995 1.873 28.317 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.846 1.919 29.879 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.705 1.390 28.412 1.00 0.00 H new ATOM 386 N PRO A 25 4.896 -2.032 31.638 1.00 0.00 N ATOM 387 CA PRO A 25 4.280 -2.330 32.962 1.00 0.00 C ATOM 388 C PRO A 25 5.297 -2.304 34.101 1.00 0.00 C ATOM 389 O PRO A 25 4.966 -1.922 35.220 1.00 0.00 O ATOM 390 CB PRO A 25 3.685 -3.727 32.780 1.00 0.00 C ATOM 391 CG PRO A 25 3.359 -3.824 31.320 1.00 0.00 C ATOM 392 CD PRO A 25 4.359 -2.916 30.582 1.00 0.00 C ATOM 0 HA PRO A 25 3.539 -1.582 33.243 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.394 -4.500 33.078 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.793 -3.859 33.393 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.442 -4.854 30.973 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.334 -3.505 31.130 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.150 -3.497 30.109 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.870 -2.343 29.794 1.00 0.00 H new ATOM 400 N VAL A 26 6.526 -2.720 33.826 1.00 0.00 N ATOM 401 CA VAL A 26 7.548 -2.741 34.864 1.00 0.00 C ATOM 402 C VAL A 26 7.590 -1.404 35.605 1.00 0.00 C ATOM 403 O VAL A 26 7.668 -1.376 36.831 1.00 0.00 O ATOM 404 CB VAL A 26 8.923 -3.045 34.246 1.00 0.00 C ATOM 405 CG1 VAL A 26 8.857 -4.354 33.423 1.00 0.00 C ATOM 406 CG2 VAL A 26 9.361 -1.868 33.344 1.00 0.00 C ATOM 0 H VAL A 26 6.836 -3.042 32.909 1.00 0.00 H new ATOM 0 HA VAL A 26 7.298 -3.525 35.579 1.00 0.00 H new ATOM 0 HB VAL A 26 9.654 -3.172 35.044 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.835 -4.561 32.989 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.567 -5.179 34.074 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.122 -4.246 32.625 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.336 -2.087 32.908 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.630 -1.728 32.547 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.426 -0.958 33.940 1.00 0.00 H new ATOM 416 N LEU A 27 7.554 -0.296 34.873 1.00 0.00 N ATOM 417 CA LEU A 27 7.592 1.013 35.517 1.00 0.00 C ATOM 418 C LEU A 27 6.255 1.339 36.188 1.00 0.00 C ATOM 419 O LEU A 27 6.224 1.721 37.357 1.00 0.00 O ATOM 420 CB LEU A 27 7.935 2.086 34.468 1.00 0.00 C ATOM 421 CG LEU A 27 9.465 2.151 34.246 1.00 0.00 C ATOM 422 CD1 LEU A 27 9.766 2.668 32.834 1.00 0.00 C ATOM 423 CD2 LEU A 27 10.097 3.103 35.270 1.00 0.00 C ATOM 0 H LEU A 27 7.500 -0.275 33.855 1.00 0.00 H new ATOM 0 HA LEU A 27 8.358 0.998 36.292 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.434 1.858 33.527 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.567 3.058 34.798 1.00 0.00 H new ATOM 0 HG LEU A 27 9.881 1.151 34.366 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.845 2.711 32.685 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.324 1.996 32.099 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.343 3.665 32.714 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.174 3.146 35.110 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.672 4.100 35.151 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.894 2.740 36.278 1.00 0.00 H new ATOM 435 N VAL A 28 5.157 1.202 35.448 1.00 0.00 N ATOM 436 CA VAL A 28 3.835 1.511 35.996 1.00 0.00 C ATOM 437 C VAL A 28 3.497 0.598 37.174 1.00 0.00 C ATOM 438 O VAL A 28 3.054 1.066 38.222 1.00 0.00 O ATOM 439 CB VAL A 28 2.774 1.359 34.902 1.00 0.00 C ATOM 440 CG1 VAL A 28 1.374 1.524 35.506 1.00 0.00 C ATOM 441 CG2 VAL A 28 2.996 2.426 33.826 1.00 0.00 C ATOM 0 H VAL A 28 5.153 0.883 34.479 1.00 0.00 H new ATOM 0 HA VAL A 28 3.847 2.540 36.356 1.00 0.00 H new ATOM 0 HB VAL A 28 2.856 0.367 34.457 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.624 1.415 34.722 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.215 0.762 36.269 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.286 2.513 35.957 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.242 2.319 33.047 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.917 3.417 34.274 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.988 2.303 33.391 1.00 0.00 H new ATOM 451 N ILE A 29 3.711 -0.698 37.000 1.00 0.00 N ATOM 452 CA ILE A 29 3.423 -1.657 38.062 1.00 0.00 C ATOM 453 C ILE A 29 4.213 -1.304 39.325 1.00 0.00 C ATOM 454 O ILE A 29 3.742 -1.522 40.439 1.00 0.00 O ATOM 455 CB ILE A 29 3.748 -3.095 37.594 1.00 0.00 C ATOM 456 CG1 ILE A 29 2.917 -4.116 38.407 1.00 0.00 C ATOM 457 CG2 ILE A 29 5.243 -3.388 37.775 1.00 0.00 C ATOM 458 CD1 ILE A 29 1.525 -4.294 37.781 1.00 0.00 C ATOM 0 H ILE A 29 4.080 -1.109 36.142 1.00 0.00 H new ATOM 0 HA ILE A 29 2.360 -1.609 38.298 1.00 0.00 H new ATOM 0 HB ILE A 29 3.494 -3.183 36.538 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.435 -5.075 38.436 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.818 -3.775 39.438 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.458 -4.403 37.442 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.826 -2.681 37.185 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.509 -3.288 38.827 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.953 -5.015 38.365 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.004 -3.337 37.775 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.630 -4.656 36.758 1.00 0.00 H new ATOM 470 N LEU A 30 5.416 -0.764 39.140 1.00 0.00 N ATOM 471 CA LEU A 30 6.266 -0.402 40.271 1.00 0.00 C ATOM 472 C LEU A 30 5.531 0.560 41.202 1.00 0.00 C ATOM 473 O LEU A 30 5.638 0.452 42.423 1.00 0.00 O ATOM 474 CB LEU A 30 7.546 0.271 39.769 1.00 0.00 C ATOM 475 CG LEU A 30 8.571 0.359 40.911 1.00 0.00 C ATOM 476 CD1 LEU A 30 9.151 -1.038 41.233 1.00 0.00 C ATOM 477 CD2 LEU A 30 9.698 1.314 40.499 1.00 0.00 C ATOM 0 H LEU A 30 5.821 -0.569 38.225 1.00 0.00 H new ATOM 0 HA LEU A 30 6.517 -1.312 40.817 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.963 -0.296 38.937 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.320 1.269 39.394 1.00 0.00 H new ATOM 0 HG LEU A 30 8.077 0.736 41.807 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.874 -0.954 42.044 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.344 -1.706 41.534 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.644 -1.440 40.348 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.430 1.382 41.304 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.183 0.937 39.599 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.283 2.302 40.301 1.00 0.00 H new ATOM 489 N LEU A 31 4.775 1.488 40.624 1.00 0.00 N ATOM 490 CA LEU A 31 4.019 2.446 41.425 1.00 0.00 C ATOM 491 C LEU A 31 3.008 1.703 42.286 1.00 0.00 C ATOM 492 O LEU A 31 2.769 2.065 43.439 1.00 0.00 O ATOM 493 CB LEU A 31 3.297 3.456 40.517 1.00 0.00 C ATOM 494 CG LEU A 31 4.267 4.559 40.082 1.00 0.00 C ATOM 495 CD1 LEU A 31 5.372 3.953 39.216 1.00 0.00 C ATOM 496 CD2 LEU A 31 3.509 5.611 39.270 1.00 0.00 C ATOM 0 H LEU A 31 4.669 1.597 39.615 1.00 0.00 H new ATOM 0 HA LEU A 31 4.709 2.993 42.067 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.896 2.947 39.641 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.451 3.893 41.047 1.00 0.00 H new ATOM 0 HG LEU A 31 4.707 5.024 40.964 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.063 4.737 38.906 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.912 3.200 39.790 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.930 3.489 38.334 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.198 6.397 38.960 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.071 5.144 38.388 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.718 6.043 39.883 1.00 0.00 H new ATOM 508 N GLY A 32 2.410 0.666 41.723 1.00 0.00 N ATOM 509 CA GLY A 32 1.438 -0.120 42.462 1.00 0.00 C ATOM 510 C GLY A 32 2.133 -0.982 43.513 1.00 0.00 C ATOM 511 O GLY A 32 1.634 -1.144 44.625 1.00 0.00 O ATOM 0 H GLY A 32 2.578 0.352 40.767 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.718 0.541 42.944 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.878 -0.755 41.776 1.00 0.00 H new ATOM 515 N VAL A 33 3.276 -1.560 43.141 1.00 0.00 N ATOM 516 CA VAL A 33 4.009 -2.442 44.049 1.00 0.00 C ATOM 517 C VAL A 33 4.395 -1.707 45.336 1.00 0.00 C ATOM 518 O VAL A 33 4.150 -2.201 46.436 1.00 0.00 O ATOM 519 CB VAL A 33 5.282 -2.949 43.353 1.00 0.00 C ATOM 520 CG1 VAL A 33 6.159 -3.722 44.348 1.00 0.00 C ATOM 521 CG2 VAL A 33 4.900 -3.875 42.191 1.00 0.00 C ATOM 0 H VAL A 33 3.711 -1.435 42.227 1.00 0.00 H new ATOM 0 HA VAL A 33 3.364 -3.281 44.309 1.00 0.00 H new ATOM 0 HB VAL A 33 5.840 -2.092 42.974 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.058 -4.076 43.843 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.440 -3.065 45.171 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.602 -4.574 44.738 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.804 -4.233 41.699 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.334 -4.724 42.574 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.290 -3.326 41.474 1.00 0.00 H new ATOM 531 N VAL A 34 4.993 -0.524 45.192 1.00 0.00 N ATOM 532 CA VAL A 34 5.396 0.261 46.357 1.00 0.00 C ATOM 533 C VAL A 34 4.173 0.731 47.132 1.00 0.00 C ATOM 534 O VAL A 34 4.141 0.666 48.361 1.00 0.00 O ATOM 535 CB VAL A 34 6.228 1.471 45.919 1.00 0.00 C ATOM 536 CG1 VAL A 34 5.396 2.354 44.990 1.00 0.00 C ATOM 537 CG2 VAL A 34 6.651 2.281 47.155 1.00 0.00 C ATOM 0 H VAL A 34 5.207 -0.093 44.292 1.00 0.00 H new ATOM 0 HA VAL A 34 6.001 -0.373 47.005 1.00 0.00 H new ATOM 0 HB VAL A 34 7.117 1.126 45.391 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.988 3.214 44.679 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.100 1.781 44.112 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.505 2.698 45.516 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.243 3.141 46.841 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.763 2.625 47.686 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.247 1.652 47.816 1.00 0.00 H new ATOM 547 N GLY A 35 3.162 1.195 46.405 1.00 0.00 N ATOM 548 CA GLY A 35 1.936 1.664 47.036 1.00 0.00 C ATOM 549 C GLY A 35 1.222 0.518 47.735 1.00 0.00 C ATOM 550 O GLY A 35 0.646 0.692 48.808 1.00 0.00 O ATOM 0 H GLY A 35 3.167 1.256 45.387 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.168 2.448 47.756 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.280 2.105 46.285 1.00 0.00 H new ATOM 554 N LEU A 36 1.274 -0.660 47.123 1.00 0.00 N ATOM 555 CA LEU A 36 0.640 -1.837 47.698 1.00 0.00 C ATOM 556 C LEU A 36 1.337 -2.223 48.997 1.00 0.00 C ATOM 557 O LEU A 36 0.687 -2.621 49.965 1.00 0.00 O ATOM 558 CB LEU A 36 0.699 -3.012 46.708 1.00 0.00 C ATOM 559 CG LEU A 36 -0.148 -4.202 47.222 1.00 0.00 C ATOM 560 CD1 LEU A 36 -1.603 -4.051 46.754 1.00 0.00 C ATOM 561 CD2 LEU A 36 0.426 -5.523 46.682 1.00 0.00 C ATOM 0 H LEU A 36 1.746 -0.823 46.234 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.404 -1.603 47.907 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.332 -2.692 45.733 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.733 -3.327 46.571 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.118 -4.211 48.312 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.192 -4.892 47.120 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.016 -3.121 47.145 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.635 -4.032 45.665 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.174 -6.357 47.047 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.405 -5.510 45.592 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.455 -5.639 47.024 1.00 0.00 H new ATOM 573 N SER A 37 2.664 -2.114 49.011 1.00 0.00 N ATOM 574 CA SER A 37 3.440 -2.466 50.194 1.00 0.00 C ATOM 575 C SER A 37 3.081 -1.556 51.365 1.00 0.00 C ATOM 576 O SER A 37 3.098 -1.973 52.518 1.00 0.00 O ATOM 577 CB SER A 37 4.933 -2.343 49.896 1.00 0.00 C ATOM 578 OG SER A 37 5.250 -0.981 49.640 1.00 0.00 O ATOM 0 H SER A 37 3.220 -1.787 48.221 1.00 0.00 H new ATOM 0 HA SER A 37 3.205 -3.496 50.462 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.516 -2.712 50.740 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.196 -2.958 49.035 1.00 0.00 H new ATOM 0 HG SER A 37 4.564 -0.589 49.060 1.00 0.00 H new ATOM 584 N ALA A 38 2.753 -0.309 51.053 1.00 0.00 N ATOM 585 CA ALA A 38 2.396 0.656 52.089 1.00 0.00 C ATOM 586 C ALA A 38 1.434 0.015 53.086 1.00 0.00 C ATOM 587 O ALA A 38 1.528 0.229 54.295 1.00 0.00 O ATOM 588 CB ALA A 38 1.740 1.888 51.460 1.00 0.00 C ATOM 0 H ALA A 38 2.726 0.057 50.101 1.00 0.00 H new ATOM 0 HA ALA A 38 3.303 0.964 52.610 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.478 2.600 52.242 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.436 2.355 50.763 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.838 1.588 50.926 1.00 0.00 H new ATOM 594 N LEU A 39 0.501 -0.758 52.553 1.00 0.00 N ATOM 595 CA LEU A 39 -0.496 -1.420 53.385 1.00 0.00 C ATOM 596 C LEU A 39 0.160 -2.396 54.371 1.00 0.00 C ATOM 597 O LEU A 39 -0.196 -2.428 55.549 1.00 0.00 O ATOM 598 CB LEU A 39 -1.479 -2.182 52.492 1.00 0.00 C ATOM 599 CG LEU A 39 -2.042 -1.244 51.416 1.00 0.00 C ATOM 600 CD1 LEU A 39 -2.931 -2.048 50.461 1.00 0.00 C ATOM 601 CD2 LEU A 39 -2.876 -0.130 52.069 1.00 0.00 C ATOM 0 H LEU A 39 0.412 -0.943 51.554 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.023 -0.658 53.959 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.977 -3.028 52.023 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.292 -2.588 53.094 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.215 -0.794 50.866 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.334 -1.386 49.694 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.341 -2.833 49.989 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.752 -2.498 51.020 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.271 0.530 51.296 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.703 -0.573 52.625 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.247 0.444 52.750 1.00 0.00 H new ATOM 613 N THR A 40 1.104 -3.207 53.880 1.00 0.00 N ATOM 614 CA THR A 40 1.778 -4.198 54.736 1.00 0.00 C ATOM 615 C THR A 40 3.033 -3.625 55.400 1.00 0.00 C ATOM 616 O THR A 40 3.239 -3.800 56.602 1.00 0.00 O ATOM 617 CB THR A 40 2.168 -5.432 53.911 1.00 0.00 C ATOM 618 OG1 THR A 40 3.234 -6.110 54.559 1.00 0.00 O ATOM 619 CG2 THR A 40 2.620 -5.005 52.515 1.00 0.00 C ATOM 0 H THR A 40 1.417 -3.200 52.909 1.00 0.00 H new ATOM 0 HA THR A 40 1.073 -4.476 55.520 1.00 0.00 H new ATOM 0 HB THR A 40 1.305 -6.092 53.823 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.485 -6.900 54.036 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.895 -5.887 51.936 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.806 -4.481 52.014 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.482 -4.342 52.598 1.00 0.00 H new ATOM 627 N GLY A 41 3.872 -2.953 54.616 1.00 0.00 N ATOM 628 CA GLY A 41 5.109 -2.371 55.143 1.00 0.00 C ATOM 629 C GLY A 41 5.489 -1.111 54.372 1.00 0.00 C ATOM 630 O GLY A 41 4.701 -0.602 53.581 1.00 0.00 O ATOM 0 H GLY A 41 3.722 -2.797 53.619 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.982 -2.132 56.199 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.916 -3.100 55.076 1.00 0.00 H new ATOM 634 N TYR A 42 6.705 -0.615 54.605 1.00 0.00 N ATOM 635 CA TYR A 42 7.184 0.594 53.921 1.00 0.00 C ATOM 636 C TYR A 42 8.223 0.245 52.856 1.00 0.00 C ATOM 637 O TYR A 42 8.093 -0.759 52.155 1.00 0.00 O ATOM 638 CB TYR A 42 7.781 1.577 54.929 1.00 0.00 C ATOM 639 CG TYR A 42 6.771 1.886 56.008 1.00 0.00 C ATOM 640 CD1 TYR A 42 5.762 2.827 55.774 1.00 0.00 C ATOM 641 CD2 TYR A 42 6.849 1.236 57.246 1.00 0.00 C ATOM 642 CE1 TYR A 42 4.832 3.122 56.778 1.00 0.00 C ATOM 643 CE2 TYR A 42 5.919 1.529 58.249 1.00 0.00 C ATOM 644 CZ TYR A 42 4.911 2.473 58.016 1.00 0.00 C ATOM 645 OH TYR A 42 3.993 2.761 59.005 1.00 0.00 O ATOM 0 H TYR A 42 7.374 -1.026 55.256 1.00 0.00 H new ATOM 0 HA TYR A 42 6.331 1.062 53.431 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.682 1.153 55.373 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.077 2.496 54.422 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.701 3.326 54.818 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.627 0.509 57.426 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.054 3.849 56.598 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.978 1.027 59.203 1.00 0.00 H new ATOM 0 HH TYR A 42 4.189 2.223 59.800 1.00 0.00 H new ATOM 655 N LEU A 43 9.229 1.106 52.707 1.00 0.00 N ATOM 656 CA LEU A 43 10.253 0.901 51.685 1.00 0.00 C ATOM 657 C LEU A 43 11.232 -0.202 52.075 1.00 0.00 C ATOM 658 O LEU A 43 12.329 -0.287 51.523 1.00 0.00 O ATOM 659 CB LEU A 43 11.016 2.207 51.434 1.00 0.00 C ATOM 660 CG LEU A 43 10.150 3.172 50.618 1.00 0.00 C ATOM 661 CD1 LEU A 43 8.830 3.442 51.353 1.00 0.00 C ATOM 662 CD2 LEU A 43 10.910 4.488 50.429 1.00 0.00 C ATOM 0 H LEU A 43 9.356 1.944 53.275 1.00 0.00 H new ATOM 0 HA LEU A 43 9.747 0.590 50.771 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.290 2.666 52.384 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.944 1.999 50.901 1.00 0.00 H new ATOM 0 HG LEU A 43 9.930 2.729 49.647 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.221 4.129 50.766 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.291 2.504 51.489 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.040 3.885 52.327 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.300 5.180 49.849 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.128 4.925 51.403 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.844 4.296 49.900 1.00 0.00 H new ATOM 674 N ASP A 44 10.835 -1.052 53.013 1.00 0.00 N ATOM 675 CA ASP A 44 11.704 -2.144 53.432 1.00 0.00 C ATOM 676 C ASP A 44 11.858 -3.153 52.293 1.00 0.00 C ATOM 677 O ASP A 44 12.969 -3.462 51.864 1.00 0.00 O ATOM 678 CB ASP A 44 11.097 -2.830 54.660 1.00 0.00 C ATOM 679 CG ASP A 44 9.639 -3.187 54.389 1.00 0.00 C ATOM 680 OD1 ASP A 44 9.095 -2.667 53.428 1.00 0.00 O ATOM 681 OD2 ASP A 44 9.087 -3.975 55.140 1.00 0.00 O ATOM 0 H ASP A 44 9.935 -1.009 53.490 1.00 0.00 H new ATOM 0 HA ASP A 44 12.688 -1.749 53.686 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.662 -3.731 54.900 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.164 -2.171 55.526 1.00 0.00 H new ATOM 686 N TYR A 45 10.724 -3.669 51.819 1.00 0.00 N ATOM 687 CA TYR A 45 10.717 -4.656 50.736 1.00 0.00 C ATOM 688 C TYR A 45 10.363 -4.004 49.403 1.00 0.00 C ATOM 689 O TYR A 45 9.574 -4.544 48.628 1.00 0.00 O ATOM 690 CB TYR A 45 9.710 -5.766 51.048 1.00 0.00 C ATOM 691 CG TYR A 45 9.984 -6.954 50.154 1.00 0.00 C ATOM 692 CD1 TYR A 45 11.128 -7.730 50.367 1.00 0.00 C ATOM 693 CD2 TYR A 45 9.100 -7.279 49.115 1.00 0.00 C ATOM 694 CE1 TYR A 45 11.393 -8.829 49.541 1.00 0.00 C ATOM 695 CE2 TYR A 45 9.366 -8.379 48.290 1.00 0.00 C ATOM 696 CZ TYR A 45 10.512 -9.153 48.503 1.00 0.00 C ATOM 697 OH TYR A 45 10.773 -10.237 47.689 1.00 0.00 O ATOM 0 H TYR A 45 9.798 -3.421 52.167 1.00 0.00 H new ATOM 0 HA TYR A 45 11.718 -5.081 50.658 1.00 0.00 H new ATOM 0 HB2 TYR A 45 9.787 -6.059 52.095 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.693 -5.405 50.892 1.00 0.00 H new ATOM 0 HD1 TYR A 45 11.807 -7.481 51.169 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.215 -6.682 48.951 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.277 -9.427 49.705 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.686 -8.630 47.489 1.00 0.00 H new ATOM 0 HH TYR A 45 10.062 -10.323 47.020 1.00 0.00 H new ATOM 707 N VAL A 46 10.961 -2.841 49.139 1.00 0.00 N ATOM 708 CA VAL A 46 10.715 -2.114 47.890 1.00 0.00 C ATOM 709 C VAL A 46 12.035 -1.776 47.198 1.00 0.00 C ATOM 710 O VAL A 46 12.058 -1.464 46.008 1.00 0.00 O ATOM 711 CB VAL A 46 9.943 -0.829 48.174 1.00 0.00 C ATOM 712 CG1 VAL A 46 9.518 -0.186 46.852 1.00 0.00 C ATOM 713 CG2 VAL A 46 8.700 -1.159 49.004 1.00 0.00 C ATOM 0 H VAL A 46 11.618 -2.382 49.771 1.00 0.00 H new ATOM 0 HA VAL A 46 10.124 -2.752 47.232 1.00 0.00 H new ATOM 0 HB VAL A 46 10.578 -0.136 48.726 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.966 0.732 47.055 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.403 0.046 46.259 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.882 -0.877 46.299 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.146 -0.243 49.209 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.066 -1.851 48.450 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.002 -1.618 49.945 1.00 0.00 H new ATOM 723 N LEU A 47 13.130 -1.858 47.947 1.00 0.00 N ATOM 724 CA LEU A 47 14.452 -1.581 47.394 1.00 0.00 C ATOM 725 C LEU A 47 15.000 -2.809 46.675 1.00 0.00 C ATOM 726 O LEU A 47 15.493 -2.716 45.555 1.00 0.00 O ATOM 727 CB LEU A 47 15.404 -1.160 48.520 1.00 0.00 C ATOM 728 CG LEU A 47 16.803 -0.861 47.960 1.00 0.00 C ATOM 729 CD1 LEU A 47 16.732 0.281 46.930 1.00 0.00 C ATOM 730 CD2 LEU A 47 17.727 -0.468 49.118 1.00 0.00 C ATOM 0 H LEU A 47 13.129 -2.113 48.935 1.00 0.00 H new ATOM 0 HA LEU A 47 14.368 -0.769 46.671 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.012 -0.277 49.024 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.466 -1.952 49.266 1.00 0.00 H new ATOM 0 HG LEU A 47 17.194 -1.748 47.462 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.730 0.483 46.541 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.075 -0.009 46.110 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.341 1.179 47.409 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.723 -0.253 48.732 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.332 0.418 49.614 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.784 -1.289 49.833 1.00 0.00 H new ATOM 742 N LEU A 48 14.914 -3.957 47.334 1.00 0.00 N ATOM 743 CA LEU A 48 15.410 -5.209 46.769 1.00 0.00 C ATOM 744 C LEU A 48 14.650 -5.604 45.490 1.00 0.00 C ATOM 745 O LEU A 48 15.267 -5.790 44.441 1.00 0.00 O ATOM 746 CB LEU A 48 15.299 -6.332 47.829 1.00 0.00 C ATOM 747 CG LEU A 48 16.655 -6.559 48.533 1.00 0.00 C ATOM 748 CD1 LEU A 48 17.701 -7.105 47.527 1.00 0.00 C ATOM 749 CD2 LEU A 48 17.149 -5.232 49.158 1.00 0.00 C ATOM 0 H LEU A 48 14.504 -4.049 48.264 1.00 0.00 H new ATOM 0 HA LEU A 48 16.454 -5.065 46.491 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.541 -6.068 48.567 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.972 -7.256 47.353 1.00 0.00 H new ATOM 0 HG LEU A 48 16.524 -7.296 49.325 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.651 -7.260 48.038 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.351 -8.052 47.117 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.837 -6.387 46.718 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.106 -5.397 49.653 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.270 -4.484 48.375 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.419 -4.879 49.887 1.00 0.00 H new ATOM 761 N PRO A 49 13.352 -5.767 45.550 1.00 0.00 N ATOM 762 CA PRO A 49 12.545 -6.177 44.357 1.00 0.00 C ATOM 763 C PRO A 49 12.606 -5.158 43.214 1.00 0.00 C ATOM 764 O PRO A 49 12.300 -5.491 42.067 1.00 0.00 O ATOM 765 CB PRO A 49 11.114 -6.326 44.912 1.00 0.00 C ATOM 766 CG PRO A 49 11.094 -5.489 46.146 1.00 0.00 C ATOM 767 CD PRO A 49 12.498 -5.578 46.739 1.00 0.00 C ATOM 0 HA PRO A 49 12.926 -7.095 43.909 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.372 -5.984 44.190 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.883 -7.367 45.137 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.834 -4.457 45.913 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.348 -5.854 46.853 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.763 -4.673 47.286 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.589 -6.410 47.437 1.00 0.00 H new ATOM 775 N ALA A 50 13.011 -3.927 43.516 1.00 0.00 N ATOM 776 CA ALA A 50 13.111 -2.894 42.487 1.00 0.00 C ATOM 777 C ALA A 50 14.171 -3.270 41.453 1.00 0.00 C ATOM 778 O ALA A 50 14.058 -2.926 40.279 1.00 0.00 O ATOM 779 CB ALA A 50 13.457 -1.545 43.122 1.00 0.00 C ATOM 0 H ALA A 50 13.273 -3.622 44.453 1.00 0.00 H new ATOM 0 HA ALA A 50 12.146 -2.813 41.986 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.528 -0.784 42.344 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.678 -1.266 43.832 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.411 -1.622 43.643 1.00 0.00 H new ATOM 785 N LEU A 51 15.203 -3.976 41.906 1.00 0.00 N ATOM 786 CA LEU A 51 16.298 -4.400 41.032 1.00 0.00 C ATOM 787 C LEU A 51 15.756 -5.150 39.818 1.00 0.00 C ATOM 788 O LEU A 51 16.402 -5.190 38.771 1.00 0.00 O ATOM 789 CB LEU A 51 17.285 -5.297 41.802 1.00 0.00 C ATOM 790 CG LEU A 51 18.273 -4.432 42.604 1.00 0.00 C ATOM 791 CD1 LEU A 51 19.226 -3.659 41.660 1.00 0.00 C ATOM 792 CD2 LEU A 51 17.481 -3.451 43.470 1.00 0.00 C ATOM 0 H LEU A 51 15.306 -4.269 42.878 1.00 0.00 H new ATOM 0 HA LEU A 51 16.823 -3.509 40.689 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.739 -5.957 42.475 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.830 -5.933 41.105 1.00 0.00 H new ATOM 0 HG LEU A 51 18.882 -5.079 43.236 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.914 -3.055 42.252 1.00 0.00 H new ATOM 0 HD12 LEU A 51 19.793 -4.367 41.055 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.643 -3.009 41.007 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.171 -2.832 44.043 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.868 -2.815 42.831 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.838 -4.006 44.153 1.00 0.00 H new ATOM 804 N ALA A 52 14.573 -5.730 39.952 1.00 0.00 N ATOM 805 CA ALA A 52 13.978 -6.457 38.840 1.00 0.00 C ATOM 806 C ALA A 52 13.988 -5.588 37.583 1.00 0.00 C ATOM 807 O ALA A 52 14.060 -6.101 36.466 1.00 0.00 O ATOM 808 CB ALA A 52 12.541 -6.855 39.185 1.00 0.00 C ATOM 0 H ALA A 52 14.013 -5.713 40.805 1.00 0.00 H new ATOM 0 HA ALA A 52 14.562 -7.358 38.654 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.103 -7.398 38.348 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.542 -7.491 40.070 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.953 -5.959 39.383 1.00 0.00 H new ATOM 814 N ILE A 53 13.927 -4.270 37.771 1.00 0.00 N ATOM 815 CA ILE A 53 13.942 -3.345 36.641 1.00 0.00 C ATOM 816 C ILE A 53 15.241 -3.497 35.853 1.00 0.00 C ATOM 817 O ILE A 53 15.223 -3.579 34.626 1.00 0.00 O ATOM 818 CB ILE A 53 13.815 -1.893 37.144 1.00 0.00 C ATOM 819 CG1 ILE A 53 13.571 -0.938 35.952 1.00 0.00 C ATOM 820 CG2 ILE A 53 15.106 -1.483 37.865 1.00 0.00 C ATOM 821 CD1 ILE A 53 12.079 -0.875 35.625 1.00 0.00 C ATOM 0 H ILE A 53 13.867 -3.823 38.686 1.00 0.00 H new ATOM 0 HA ILE A 53 13.098 -3.577 35.991 1.00 0.00 H new ATOM 0 HB ILE A 53 12.973 -1.830 37.833 1.00 0.00 H new ATOM 0 HG12 ILE A 53 13.941 0.059 36.193 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.128 -1.282 35.080 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.014 -0.456 38.220 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.275 -2.146 38.713 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.947 -1.555 37.175 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.919 -0.200 34.784 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.721 -1.871 35.364 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.531 -0.509 36.494 1.00 0.00 H new ATOM 833 N PHE A 54 16.359 -3.558 36.564 1.00 0.00 N ATOM 834 CA PHE A 54 17.649 -3.724 35.909 1.00 0.00 C ATOM 835 C PHE A 54 17.700 -5.067 35.191 1.00 0.00 C ATOM 836 O PHE A 54 18.164 -5.153 34.053 1.00 0.00 O ATOM 837 CB PHE A 54 18.785 -3.620 36.932 1.00 0.00 C ATOM 838 CG PHE A 54 20.117 -3.838 36.244 1.00 0.00 C ATOM 839 CD1 PHE A 54 20.538 -2.955 35.242 1.00 0.00 C ATOM 840 CD2 PHE A 54 20.928 -4.919 36.609 1.00 0.00 C ATOM 841 CE1 PHE A 54 21.769 -3.153 34.606 1.00 0.00 C ATOM 842 CE2 PHE A 54 22.159 -5.117 35.973 1.00 0.00 C ATOM 843 CZ PHE A 54 22.580 -4.234 34.972 1.00 0.00 C ATOM 0 H PHE A 54 16.400 -3.496 37.581 1.00 0.00 H new ATOM 0 HA PHE A 54 17.775 -2.929 35.174 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.768 -2.640 37.410 1.00 0.00 H new ATOM 0 HB3 PHE A 54 18.647 -4.361 37.719 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.913 -2.121 34.960 1.00 0.00 H new ATOM 0 HD2 PHE A 54 20.604 -5.600 37.382 1.00 0.00 H new ATOM 0 HE1 PHE A 54 22.093 -2.472 33.833 1.00 0.00 H new ATOM 0 HE2 PHE A 54 22.784 -5.951 36.255 1.00 0.00 H new ATOM 0 HZ PHE A 54 23.530 -4.386 34.482 1.00 0.00 H new ATOM 853 N ILE A 55 17.218 -6.108 35.857 1.00 0.00 N ATOM 854 CA ILE A 55 17.208 -7.439 35.263 1.00 0.00 C ATOM 855 C ILE A 55 16.323 -7.447 34.019 1.00 0.00 C ATOM 856 O ILE A 55 16.693 -8.002 32.983 1.00 0.00 O ATOM 857 CB ILE A 55 16.679 -8.456 36.276 1.00 0.00 C ATOM 858 CG1 ILE A 55 17.473 -8.340 37.591 1.00 0.00 C ATOM 859 CG2 ILE A 55 16.813 -9.871 35.707 1.00 0.00 C ATOM 860 CD1 ILE A 55 18.977 -8.521 37.339 1.00 0.00 C ATOM 0 H ILE A 55 16.832 -6.059 36.800 1.00 0.00 H new ATOM 0 HA ILE A 55 18.226 -7.708 34.981 1.00 0.00 H new ATOM 0 HB ILE A 55 15.627 -8.252 36.476 1.00 0.00 H new ATOM 0 HG12 ILE A 55 17.291 -7.367 38.046 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.125 -9.093 38.298 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.435 -10.592 36.432 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.238 -9.948 34.785 1.00 0.00 H new ATOM 0 HG23 ILE A 55 17.862 -10.082 35.499 1.00 0.00 H new ATOM 0 HD11 ILE A 55 19.517 -8.435 38.282 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.158 -9.505 36.906 1.00 0.00 H new ATOM 0 HD13 ILE A 55 19.326 -7.752 36.650 1.00 0.00 H new ATOM 872 N GLY A 56 15.156 -6.816 34.127 1.00 0.00 N ATOM 873 CA GLY A 56 14.222 -6.736 33.008 1.00 0.00 C ATOM 874 C GLY A 56 14.795 -5.894 31.872 1.00 0.00 C ATOM 875 O GLY A 56 14.512 -6.139 30.699 1.00 0.00 O ATOM 0 H GLY A 56 14.835 -6.353 34.978 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.999 -7.739 32.644 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.281 -6.303 33.346 1.00 0.00 H new ATOM 879 N LEU A 57 15.589 -4.893 32.232 1.00 0.00 N ATOM 880 CA LEU A 57 16.189 -4.004 31.243 1.00 0.00 C ATOM 881 C LEU A 57 17.079 -4.805 30.290 1.00 0.00 C ATOM 882 O LEU A 57 17.136 -4.528 29.095 1.00 0.00 O ATOM 883 CB LEU A 57 17.014 -2.914 31.958 1.00 0.00 C ATOM 884 CG LEU A 57 16.992 -1.603 31.156 1.00 0.00 C ATOM 885 CD1 LEU A 57 17.876 -0.564 31.856 1.00 0.00 C ATOM 886 CD2 LEU A 57 17.505 -1.847 29.729 1.00 0.00 C ATOM 0 H LEU A 57 15.832 -4.676 33.199 1.00 0.00 H new ATOM 0 HA LEU A 57 15.400 -3.527 30.662 1.00 0.00 H new ATOM 0 HB2 LEU A 57 16.611 -2.742 32.956 1.00 0.00 H new ATOM 0 HB3 LEU A 57 18.043 -3.253 32.083 1.00 0.00 H new ATOM 0 HG LEU A 57 15.968 -1.233 31.101 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.862 0.367 31.289 1.00 0.00 H new ATOM 0 HD12 LEU A 57 17.497 -0.382 32.862 1.00 0.00 H new ATOM 0 HD13 LEU A 57 18.898 -0.937 31.916 1.00 0.00 H new ATOM 0 HD21 LEU A 57 17.485 -0.911 29.170 1.00 0.00 H new ATOM 0 HD22 LEU A 57 18.527 -2.224 29.769 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.868 -2.579 29.233 1.00 0.00 H new ATOM 898 N THR A 58 17.760 -5.810 30.820 1.00 0.00 N ATOM 899 CA THR A 58 18.622 -6.647 29.995 1.00 0.00 C ATOM 900 C THR A 58 17.798 -7.383 28.937 1.00 0.00 C ATOM 901 O THR A 58 18.226 -7.518 27.793 1.00 0.00 O ATOM 902 CB THR A 58 19.373 -7.655 30.865 1.00 0.00 C ATOM 903 OG1 THR A 58 19.936 -6.983 31.984 1.00 0.00 O ATOM 904 CG2 THR A 58 20.490 -8.302 30.046 1.00 0.00 C ATOM 0 H THR A 58 17.734 -6.065 31.807 1.00 0.00 H new ATOM 0 HA THR A 58 19.346 -6.005 29.492 1.00 0.00 H new ATOM 0 HB THR A 58 18.683 -8.425 31.210 1.00 0.00 H new ATOM 0 HG1 THR A 58 20.417 -7.627 32.545 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.026 -9.021 30.666 1.00 0.00 H new ATOM 0 HG22 THR A 58 20.060 -8.814 29.185 1.00 0.00 H new ATOM 0 HG23 THR A 58 21.181 -7.533 29.702 1.00 0.00 H new ATOM 912 N ILE A 59 16.617 -7.860 29.320 1.00 0.00 N ATOM 913 CA ILE A 59 15.751 -8.584 28.388 1.00 0.00 C ATOM 914 C ILE A 59 15.341 -7.690 27.218 1.00 0.00 C ATOM 915 O ILE A 59 15.310 -8.134 26.070 1.00 0.00 O ATOM 916 CB ILE A 59 14.504 -9.093 29.113 1.00 0.00 C ATOM 917 CG1 ILE A 59 14.931 -9.919 30.329 1.00 0.00 C ATOM 918 CG2 ILE A 59 13.681 -9.972 28.167 1.00 0.00 C ATOM 919 CD1 ILE A 59 13.695 -10.335 31.129 1.00 0.00 C ATOM 0 H ILE A 59 16.238 -7.761 30.262 1.00 0.00 H new ATOM 0 HA ILE A 59 16.310 -9.433 27.995 1.00 0.00 H new ATOM 0 HB ILE A 59 13.900 -8.245 29.436 1.00 0.00 H new ATOM 0 HG12 ILE A 59 15.481 -10.803 30.006 1.00 0.00 H new ATOM 0 HG13 ILE A 59 15.604 -9.337 30.958 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.793 -10.333 28.686 1.00 0.00 H new ATOM 0 HG22 ILE A 59 13.380 -9.388 27.297 1.00 0.00 H new ATOM 0 HG23 ILE A 59 14.283 -10.821 27.843 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.002 -10.923 31.994 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.163 -9.445 31.466 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.038 -10.934 30.498 1.00 0.00 H new ATOM 931 N TYR A 60 15.003 -6.440 27.512 1.00 0.00 N ATOM 932 CA TYR A 60 14.574 -5.516 26.462 1.00 0.00 C ATOM 933 C TYR A 60 15.516 -5.611 25.253 1.00 0.00 C ATOM 934 O TYR A 60 15.057 -5.794 24.125 1.00 0.00 O ATOM 935 CB TYR A 60 14.530 -4.073 27.017 1.00 0.00 C ATOM 936 CG TYR A 60 14.642 -3.067 25.887 1.00 0.00 C ATOM 937 CD1 TYR A 60 15.911 -2.688 25.435 1.00 0.00 C ATOM 938 CD2 TYR A 60 13.496 -2.535 25.287 1.00 0.00 C ATOM 939 CE1 TYR A 60 16.034 -1.775 24.380 1.00 0.00 C ATOM 940 CE2 TYR A 60 13.618 -1.623 24.232 1.00 0.00 C ATOM 941 CZ TYR A 60 14.887 -1.243 23.780 1.00 0.00 C ATOM 942 OH TYR A 60 15.008 -0.342 22.740 1.00 0.00 O ATOM 0 H TYR A 60 15.016 -6.045 28.452 1.00 0.00 H new ATOM 0 HA TYR A 60 13.572 -5.789 26.132 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.599 -3.915 27.562 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.344 -3.925 27.726 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.795 -3.099 25.899 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.517 -2.828 25.638 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.013 -1.482 24.030 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.734 -1.213 23.767 1.00 0.00 H new ATOM 0 HH TYR A 60 14.116 -0.071 22.436 1.00 0.00 H new ATOM 952 N ALA A 61 16.822 -5.487 25.478 1.00 0.00 N ATOM 953 CA ALA A 61 17.785 -5.565 24.379 1.00 0.00 C ATOM 954 C ALA A 61 17.731 -6.926 23.682 1.00 0.00 C ATOM 955 O ALA A 61 17.691 -6.997 22.457 1.00 0.00 O ATOM 956 CB ALA A 61 19.198 -5.320 24.909 1.00 0.00 C ATOM 0 H ALA A 61 17.235 -5.334 26.398 1.00 0.00 H new ATOM 0 HA ALA A 61 17.523 -4.798 23.650 1.00 0.00 H new ATOM 0 HB1 ALA A 61 19.911 -5.379 24.086 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.250 -4.331 25.363 1.00 0.00 H new ATOM 0 HB3 ALA A 61 19.442 -6.075 25.656 1.00 0.00 H new ATOM 962 N ILE A 62 17.750 -8.002 24.461 1.00 0.00 N ATOM 963 CA ILE A 62 17.725 -9.346 23.882 1.00 0.00 C ATOM 964 C ILE A 62 16.551 -9.495 22.906 1.00 0.00 C ATOM 965 O ILE A 62 16.735 -9.946 21.775 1.00 0.00 O ATOM 966 CB ILE A 62 17.635 -10.397 25.020 1.00 0.00 C ATOM 967 CG1 ILE A 62 19.043 -10.774 25.523 1.00 0.00 C ATOM 968 CG2 ILE A 62 16.926 -11.672 24.537 1.00 0.00 C ATOM 969 CD1 ILE A 62 19.900 -9.523 25.762 1.00 0.00 C ATOM 0 H ILE A 62 17.782 -7.975 25.480 1.00 0.00 H new ATOM 0 HA ILE A 62 18.644 -9.510 23.320 1.00 0.00 H new ATOM 0 HB ILE A 62 17.061 -9.950 25.832 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.961 -11.344 26.448 1.00 0.00 H new ATOM 0 HG13 ILE A 62 19.532 -11.419 24.793 1.00 0.00 H new ATOM 0 HG21 ILE A 62 16.876 -12.392 25.354 1.00 0.00 H new ATOM 0 HG22 ILE A 62 15.916 -11.425 24.209 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.482 -12.105 23.705 1.00 0.00 H new ATOM 0 HD11 ILE A 62 20.887 -9.820 26.116 1.00 0.00 H new ATOM 0 HD12 ILE A 62 20.001 -8.968 24.830 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.421 -8.891 26.510 1.00 0.00 H new ATOM 981 N GLN A 63 15.354 -9.125 23.339 1.00 0.00 N ATOM 982 CA GLN A 63 14.182 -9.239 22.476 1.00 0.00 C ATOM 983 C GLN A 63 14.314 -8.307 21.274 1.00 0.00 C ATOM 984 O GLN A 63 13.967 -8.664 20.149 1.00 0.00 O ATOM 985 CB GLN A 63 12.913 -8.892 23.274 1.00 0.00 C ATOM 986 CG GLN A 63 11.697 -9.595 22.666 1.00 0.00 C ATOM 987 CD GLN A 63 11.763 -11.085 22.986 1.00 0.00 C ATOM 988 OE1 GLN A 63 12.275 -11.463 24.040 1.00 0.00 O ATOM 989 NE2 GLN A 63 11.276 -11.955 22.145 1.00 0.00 N ATOM 0 H GLN A 63 15.168 -8.748 24.268 1.00 0.00 H new ATOM 0 HA GLN A 63 14.110 -10.265 22.114 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.035 -9.195 24.314 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.757 -7.813 23.272 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.778 -9.166 23.065 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.677 -9.444 21.587 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.852 -11.639 21.273 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.319 -12.951 22.360 1.00 0.00 H new ATOM 998 N ARG A 64 14.826 -7.113 21.529 1.00 0.00 N ATOM 999 CA ARG A 64 15.029 -6.105 20.496 1.00 0.00 C ATOM 1000 C ARG A 64 16.241 -6.421 19.621 1.00 0.00 C ATOM 1001 O ARG A 64 16.389 -5.883 18.529 1.00 0.00 O ATOM 1002 CB ARG A 64 15.207 -4.722 21.133 1.00 0.00 C ATOM 1003 CG ARG A 64 13.899 -4.263 21.805 1.00 0.00 C ATOM 1004 CD ARG A 64 12.856 -3.871 20.746 1.00 0.00 C ATOM 1005 NE ARG A 64 11.804 -3.055 21.341 1.00 0.00 N ATOM 1006 CZ ARG A 64 11.026 -2.294 20.578 1.00 0.00 C ATOM 1007 NH1 ARG A 64 11.211 -2.260 19.287 1.00 0.00 N ATOM 1008 NH2 ARG A 64 10.077 -1.581 21.120 1.00 0.00 N ATOM 0 H ARG A 64 15.114 -6.813 22.461 1.00 0.00 H new ATOM 0 HA ARG A 64 14.143 -6.109 19.861 1.00 0.00 H new ATOM 0 HB2 ARG A 64 16.009 -4.756 21.871 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.504 -4.000 20.372 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.506 -5.063 22.432 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.098 -3.414 22.459 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.339 -3.320 19.939 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.422 -4.768 20.305 1.00 0.00 H new ATOM 0 HE ARG A 64 11.664 -3.068 22.351 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.953 -2.817 18.863 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.614 -1.676 18.701 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.932 -1.608 22.129 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.480 -0.997 20.534 1.00 0.00 H new ATOM 1022 N LYS A 65 17.140 -7.245 20.126 1.00 0.00 N ATOM 1023 CA LYS A 65 18.361 -7.553 19.397 1.00 0.00 C ATOM 1024 C LYS A 65 18.050 -8.053 17.979 1.00 0.00 C ATOM 1025 O LYS A 65 18.792 -7.754 17.043 1.00 0.00 O ATOM 1026 CB LYS A 65 19.168 -8.620 20.163 1.00 0.00 C ATOM 1027 CG LYS A 65 20.681 -8.423 19.926 1.00 0.00 C ATOM 1028 CD LYS A 65 21.226 -7.406 20.938 1.00 0.00 C ATOM 1029 CE LYS A 65 22.734 -7.232 20.750 1.00 0.00 C ATOM 1030 NZ LYS A 65 23.012 -6.683 19.393 1.00 0.00 N ATOM 0 H LYS A 65 17.052 -7.710 21.029 1.00 0.00 H new ATOM 0 HA LYS A 65 18.949 -6.639 19.313 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.949 -8.555 21.229 1.00 0.00 H new ATOM 0 HB3 LYS A 65 18.869 -9.616 19.836 1.00 0.00 H new ATOM 0 HG2 LYS A 65 21.204 -9.374 20.031 1.00 0.00 H new ATOM 0 HG3 LYS A 65 20.859 -8.072 18.909 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.723 -6.448 20.809 1.00 0.00 H new ATOM 0 HD3 LYS A 65 21.015 -7.743 21.953 1.00 0.00 H new ATOM 0 HE2 LYS A 65 23.130 -6.561 21.512 1.00 0.00 H new ATOM 0 HE3 LYS A 65 23.239 -8.190 20.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 23.984 -6.315 19.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 22.903 -7.437 18.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 22.343 -5.914 19.186 1.00 0.00 H new ATOM 1044 N ARG A 66 16.962 -8.809 17.809 1.00 0.00 N ATOM 1045 CA ARG A 66 16.598 -9.321 16.484 1.00 0.00 C ATOM 1046 C ARG A 66 15.968 -8.225 15.618 1.00 0.00 C ATOM 1047 O ARG A 66 16.387 -7.998 14.483 1.00 0.00 O ATOM 1048 CB ARG A 66 15.605 -10.477 16.658 1.00 0.00 C ATOM 1049 CG ARG A 66 15.520 -11.363 15.386 1.00 0.00 C ATOM 1050 CD ARG A 66 14.334 -10.946 14.501 1.00 0.00 C ATOM 1051 NE ARG A 66 14.631 -9.700 13.801 1.00 0.00 N ATOM 1052 CZ ARG A 66 15.378 -9.697 12.701 1.00 0.00 C ATOM 1053 NH1 ARG A 66 15.869 -10.815 12.243 1.00 0.00 N ATOM 1054 NH2 ARG A 66 15.620 -8.575 12.080 1.00 0.00 N ATOM 0 H ARG A 66 16.326 -9.077 18.560 1.00 0.00 H new ATOM 0 HA ARG A 66 17.501 -9.667 15.981 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.906 -11.090 17.508 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.618 -10.076 16.888 1.00 0.00 H new ATOM 0 HG2 ARG A 66 16.447 -11.281 14.819 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.413 -12.409 15.674 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.117 -11.733 13.779 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.441 -10.822 15.114 1.00 0.00 H new ATOM 0 HE ARG A 66 14.261 -8.820 14.160 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.680 -11.692 12.729 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.442 -10.813 11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.236 -7.701 12.438 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.193 -8.572 11.236 1.00 0.00 H new ATOM 1068 N GLN A 67 14.939 -7.570 16.153 1.00 0.00 N ATOM 1069 CA GLN A 67 14.229 -6.519 15.425 1.00 0.00 C ATOM 1070 C GLN A 67 15.185 -5.430 14.927 1.00 0.00 C ATOM 1071 O GLN A 67 14.879 -4.716 13.979 1.00 0.00 O ATOM 1072 CB GLN A 67 13.103 -5.908 16.302 1.00 0.00 C ATOM 1073 CG GLN A 67 13.630 -4.741 17.163 1.00 0.00 C ATOM 1074 CD GLN A 67 13.559 -3.425 16.389 1.00 0.00 C ATOM 1075 OE1 GLN A 67 14.569 -2.963 15.860 1.00 0.00 O ATOM 1076 NE2 GLN A 67 12.424 -2.789 16.300 1.00 0.00 N ATOM 0 H GLN A 67 14.578 -7.749 17.090 1.00 0.00 H new ATOM 0 HA GLN A 67 13.772 -6.977 14.548 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.294 -5.554 15.663 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.685 -6.679 16.949 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.042 -4.663 18.078 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.660 -4.938 17.461 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.588 -3.174 16.739 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.372 -1.907 15.791 1.00 0.00 H new ATOM 1085 N ALA A 68 16.330 -5.300 15.585 1.00 0.00 N ATOM 1086 CA ALA A 68 17.303 -4.282 15.201 1.00 0.00 C ATOM 1087 C ALA A 68 17.576 -4.346 13.692 1.00 0.00 C ATOM 1088 O ALA A 68 17.508 -3.344 12.980 1.00 0.00 O ATOM 1089 CB ALA A 68 18.607 -4.528 15.968 1.00 0.00 C ATOM 0 H ALA A 68 16.607 -5.879 16.378 1.00 0.00 H new ATOM 0 HA ALA A 68 16.906 -3.296 15.442 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.342 -3.773 15.689 1.00 0.00 H new ATOM 0 HB2 ALA A 68 18.416 -4.469 17.039 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.993 -5.517 15.722 1.00 0.00 H new ATOM 1095 N ASP A 69 17.878 -5.556 13.223 1.00 0.00 N ATOM 1096 CA ASP A 69 18.153 -5.804 11.804 1.00 0.00 C ATOM 1097 C ASP A 69 16.912 -5.508 10.961 1.00 0.00 C ATOM 1098 O ASP A 69 16.999 -4.858 9.919 1.00 0.00 O ATOM 1099 CB ASP A 69 18.573 -7.271 11.614 1.00 0.00 C ATOM 1100 CG ASP A 69 20.041 -7.450 11.993 1.00 0.00 C ATOM 1101 OD1 ASP A 69 20.821 -6.558 11.707 1.00 0.00 O ATOM 1102 OD2 ASP A 69 20.360 -8.471 12.583 1.00 0.00 O ATOM 0 H ASP A 69 17.939 -6.388 13.809 1.00 0.00 H new ATOM 0 HA ASP A 69 18.960 -5.147 11.479 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.949 -7.919 12.230 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.418 -7.570 10.577 1.00 0.00 H new ATOM 1107 N ALA A 70 15.757 -5.976 11.409 1.00 0.00 N ATOM 1108 CA ALA A 70 14.512 -5.744 10.681 1.00 0.00 C ATOM 1109 C ALA A 70 14.190 -4.257 10.634 1.00 0.00 C ATOM 1110 O ALA A 70 13.632 -3.760 9.656 1.00 0.00 O ATOM 1111 CB ALA A 70 13.361 -6.503 11.339 1.00 0.00 C ATOM 0 H ALA A 70 15.652 -6.516 12.268 1.00 0.00 H new ATOM 0 HA ALA A 70 14.640 -6.109 9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.440 -6.320 10.785 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.580 -7.571 11.336 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.240 -6.161 12.367 1.00 0.00 H new ATOM 1117 N SER A 71 14.534 -3.554 11.704 1.00 0.00 N ATOM 1118 CA SER A 71 14.272 -2.125 11.787 1.00 0.00 C ATOM 1119 C SER A 71 15.267 -1.348 10.929 1.00 0.00 C ATOM 1120 O SER A 71 14.961 -0.258 10.446 1.00 0.00 O ATOM 1121 CB SER A 71 14.373 -1.659 13.242 1.00 0.00 C ATOM 1122 OG SER A 71 13.283 -2.190 13.981 1.00 0.00 O ATOM 0 H SER A 71 14.994 -3.949 12.524 1.00 0.00 H new ATOM 0 HA SER A 71 13.265 -1.936 11.416 1.00 0.00 H new ATOM 0 HB2 SER A 71 15.317 -1.988 13.677 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.363 -0.570 13.289 1.00 0.00 H new ATOM 0 HG SER A 71 12.483 -1.648 13.819 1.00 0.00 H new ATOM 1128 N SER A 72 16.464 -1.912 10.752 1.00 0.00 N ATOM 1129 CA SER A 72 17.511 -1.266 9.957 1.00 0.00 C ATOM 1130 C SER A 72 17.569 -1.853 8.549 1.00 0.00 C ATOM 1131 O SER A 72 17.092 -1.235 7.597 1.00 0.00 O ATOM 1132 CB SER A 72 18.869 -1.446 10.636 1.00 0.00 C ATOM 1133 OG SER A 72 19.057 -2.819 10.955 1.00 0.00 O ATOM 0 H SER A 72 16.732 -2.813 11.148 1.00 0.00 H new ATOM 0 HA SER A 72 17.273 -0.205 9.884 1.00 0.00 H new ATOM 0 HB2 SER A 72 19.666 -1.101 9.977 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.919 -0.840 11.541 1.00 0.00 H new ATOM 0 HG SER A 72 18.805 -2.975 11.889 1.00 0.00 H new ATOM 1139 N THR A 73 18.160 -3.048 8.432 1.00 0.00 N ATOM 1140 CA THR A 73 18.293 -3.733 7.138 1.00 0.00 C ATOM 1141 C THR A 73 17.085 -3.445 6.226 1.00 0.00 C ATOM 1142 O THR A 73 16.047 -4.090 6.366 1.00 0.00 O ATOM 1143 CB THR A 73 18.405 -5.247 7.373 1.00 0.00 C ATOM 1144 OG1 THR A 73 19.182 -5.486 8.540 1.00 0.00 O ATOM 1145 CG2 THR A 73 19.079 -5.911 6.170 1.00 0.00 C ATOM 0 H THR A 73 18.555 -3.563 9.219 1.00 0.00 H new ATOM 0 HA THR A 73 19.190 -3.361 6.644 1.00 0.00 H new ATOM 0 HB THR A 73 17.407 -5.666 7.502 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.601 -5.472 9.329 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.156 -6.985 6.343 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.485 -5.729 5.274 1.00 0.00 H new ATOM 0 HG23 THR A 73 20.077 -5.493 6.035 1.00 0.00 H new ATOM 1153 N PRO A 74 17.187 -2.500 5.308 1.00 0.00 N ATOM 1154 CA PRO A 74 16.056 -2.157 4.391 1.00 0.00 C ATOM 1155 C PRO A 74 15.534 -3.377 3.626 1.00 0.00 C ATOM 1156 O PRO A 74 14.560 -3.278 2.880 1.00 0.00 O ATOM 1157 CB PRO A 74 16.648 -1.109 3.430 1.00 0.00 C ATOM 1158 CG PRO A 74 17.827 -0.539 4.151 1.00 0.00 C ATOM 1159 CD PRO A 74 18.370 -1.658 5.039 1.00 0.00 C ATOM 0 HA PRO A 74 15.193 -1.784 4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 74 16.946 -1.564 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 74 15.918 -0.334 3.194 1.00 0.00 H new ATOM 0 HG2 PRO A 74 18.586 -0.199 3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 74 17.537 0.325 4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.156 -2.222 4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.799 -1.265 5.961 1.00 0.00 H new ATOM 1167 N LYS A 75 16.189 -4.520 3.808 1.00 0.00 N ATOM 1168 CA LYS A 75 15.783 -5.743 3.121 1.00 0.00 C ATOM 1169 C LYS A 75 14.359 -6.112 3.511 1.00 0.00 C ATOM 1170 O LYS A 75 13.606 -6.657 2.703 1.00 0.00 O ATOM 1171 CB LYS A 75 16.723 -6.893 3.483 1.00 0.00 C ATOM 1172 CG LYS A 75 16.385 -8.121 2.636 1.00 0.00 C ATOM 1173 CD LYS A 75 17.314 -9.274 3.014 1.00 0.00 C ATOM 1174 CE LYS A 75 17.001 -10.489 2.139 1.00 0.00 C ATOM 1175 NZ LYS A 75 15.632 -10.988 2.454 1.00 0.00 N ATOM 0 H LYS A 75 16.998 -4.625 4.421 1.00 0.00 H new ATOM 0 HA LYS A 75 15.831 -5.568 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.758 -6.596 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.629 -7.133 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.346 -8.410 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 75 16.492 -7.886 1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 75 18.354 -8.975 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 75 17.187 -9.528 4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.068 -10.219 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.735 -11.275 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.529 -11.962 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.485 -10.972 3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.926 -10.379 1.994 1.00 0.00 H new ATOM 1189 N PHE A 76 13.995 -5.818 4.752 1.00 0.00 N ATOM 1190 CA PHE A 76 12.659 -6.128 5.233 1.00 0.00 C ATOM 1191 C PHE A 76 11.610 -5.481 4.326 1.00 0.00 C ATOM 1192 O PHE A 76 10.637 -6.116 3.930 1.00 0.00 O ATOM 1193 CB PHE A 76 12.507 -5.643 6.699 1.00 0.00 C ATOM 1194 CG PHE A 76 12.026 -4.200 6.746 1.00 0.00 C ATOM 1195 CD1 PHE A 76 12.866 -3.169 6.310 1.00 0.00 C ATOM 1196 CD2 PHE A 76 10.740 -3.904 7.216 1.00 0.00 C ATOM 1197 CE1 PHE A 76 12.422 -1.842 6.343 1.00 0.00 C ATOM 1198 CE2 PHE A 76 10.296 -2.576 7.249 1.00 0.00 C ATOM 1199 CZ PHE A 76 11.137 -1.546 6.813 1.00 0.00 C ATOM 0 H PHE A 76 14.602 -5.369 5.438 1.00 0.00 H new ATOM 0 HA PHE A 76 12.505 -7.207 5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.800 -6.284 7.227 1.00 0.00 H new ATOM 0 HB3 PHE A 76 13.463 -5.729 7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 76 13.857 -3.397 5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.091 -4.699 7.553 1.00 0.00 H new ATOM 0 HE1 PHE A 76 13.070 -1.047 6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.305 -2.347 7.611 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.794 -0.522 6.839 1.00 0.00 H new ATOM 1209 N ASN A 77 11.829 -4.213 4.004 1.00 0.00 N ATOM 1210 CA ASN A 77 10.916 -3.480 3.143 1.00 0.00 C ATOM 1211 C ASN A 77 10.926 -4.062 1.727 1.00 0.00 C ATOM 1212 O ASN A 77 9.905 -4.057 1.041 1.00 0.00 O ATOM 1213 CB ASN A 77 11.298 -1.994 3.110 1.00 0.00 C ATOM 1214 CG ASN A 77 10.499 -1.265 2.033 1.00 0.00 C ATOM 1215 OD1 ASN A 77 10.946 -1.174 0.889 1.00 0.00 O ATOM 1216 ND2 ASN A 77 9.335 -0.751 2.322 1.00 0.00 N ATOM 0 H ASN A 77 12.631 -3.672 4.327 1.00 0.00 H new ATOM 0 HA ASN A 77 9.908 -3.576 3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.107 -1.541 4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.365 -1.890 2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.795 -0.274 1.600 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.965 -0.827 3.270 1.00 0.00 H new ATOM 1223 N GLY A 78 12.090 -4.543 1.290 1.00 0.00 N ATOM 1224 CA GLY A 78 12.220 -5.104 -0.054 1.00 0.00 C ATOM 1225 C GLY A 78 11.260 -6.272 -0.264 1.00 0.00 C ATOM 1226 O GLY A 78 10.587 -6.350 -1.293 1.00 0.00 O ATOM 0 H GLY A 78 12.948 -4.556 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.021 -4.329 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.245 -5.440 -0.212 1.00 0.00 H new ATOM 1230 N VAL A 79 11.195 -7.183 0.708 1.00 0.00 N ATOM 1231 CA VAL A 79 10.299 -8.336 0.603 1.00 0.00 C ATOM 1232 C VAL A 79 8.865 -7.926 0.912 1.00 0.00 C ATOM 1233 O VAL A 79 7.921 -8.431 0.305 1.00 0.00 O ATOM 1234 CB VAL A 79 10.745 -9.456 1.551 1.00 0.00 C ATOM 1235 CG1 VAL A 79 12.022 -10.102 1.010 1.00 0.00 C ATOM 1236 CG2 VAL A 79 11.024 -8.879 2.937 1.00 0.00 C ATOM 0 H VAL A 79 11.744 -7.147 1.567 1.00 0.00 H new ATOM 0 HA VAL A 79 10.343 -8.710 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 79 9.954 -10.203 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.340 -10.898 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.829 -10.518 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.808 -9.350 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.340 -9.678 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.813 -8.130 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.118 -8.416 3.327 1.00 0.00 H new ATOM 1246 N LYS A 80 8.710 -6.999 1.851 1.00 0.00 N ATOM 1247 CA LYS A 80 7.385 -6.521 2.225 1.00 0.00 C ATOM 1248 C LYS A 80 6.864 -5.520 1.198 1.00 0.00 C ATOM 1249 O LYS A 80 5.686 -5.161 1.221 1.00 0.00 O ATOM 1250 CB LYS A 80 7.433 -5.871 3.614 1.00 0.00 C ATOM 1251 CG LYS A 80 7.501 -6.950 4.697 1.00 0.00 C ATOM 1252 CD LYS A 80 7.621 -6.284 6.072 1.00 0.00 C ATOM 1253 CE LYS A 80 7.465 -7.339 7.171 1.00 0.00 C ATOM 1254 NZ LYS A 80 6.186 -8.083 6.964 1.00 0.00 N ATOM 0 H LYS A 80 9.479 -6.567 2.363 1.00 0.00 H new ATOM 0 HA LYS A 80 6.706 -7.373 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.301 -5.216 3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.550 -5.249 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.609 -7.575 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.355 -7.604 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.588 -5.789 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.857 -5.514 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.308 -8.030 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.467 -6.862 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.612 -8.033 7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.660 -7.657 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.395 -9.078 6.744 1.00 0.00 H new ATOM 1268 N LYS A 81 7.743 -5.081 0.303 1.00 0.00 N ATOM 1269 CA LYS A 81 7.358 -4.127 -0.732 1.00 0.00 C ATOM 1270 C LYS A 81 7.008 -2.775 -0.110 1.00 0.00 C ATOM 1271 O LYS A 81 6.124 -2.742 0.729 1.00 0.00 O ATOM 1272 CB LYS A 81 6.151 -4.668 -1.519 1.00 0.00 C ATOM 1273 CG LYS A 81 6.056 -3.990 -2.899 1.00 0.00 C ATOM 1274 CD LYS A 81 6.981 -4.690 -3.908 1.00 0.00 C ATOM 1275 CE LYS A 81 6.703 -4.161 -5.319 1.00 0.00 C ATOM 1276 NZ LYS A 81 5.499 -4.842 -5.874 1.00 0.00 N ATOM 1277 OXT LYS A 81 7.630 -1.794 -0.484 1.00 0.00 O ATOM 0 H LYS A 81 8.721 -5.368 0.273 1.00 0.00 H new ATOM 0 HA LYS A 81 8.200 -3.991 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.245 -5.747 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.234 -4.491 -0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.027 -4.023 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.330 -2.939 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.023 -4.514 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.821 -5.768 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.544 -3.083 -5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.564 -4.339 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.590 -4.920 -6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.417 -5.793 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.649 -4.289 -5.642 1.00 0.00 H new TER 1291 LYS A 81