USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 CYS SG : rot 180:sc= -0.767 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.347 K(o=-0.35,f=-1.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 1.13 (180deg=0.984) USER MOD Single : A 57 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.05) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.1!) USER MOD Single : A 71 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.24) USER MOD Single : A 72 CYS SG : rot -14:sc= -2.46 USER MOD Single : A 76 CYS SG : rot 63:sc= -1.82 USER MOD Single : A 84 LYS NZ :NH3+ -164:sc=-0.00386 (180deg=-0.156) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 8 9.756 1.039 4.410 1.00 0.00 N ATOM 69 CA ILE A 8 8.494 1.684 4.754 1.00 0.00 C ATOM 70 C ILE A 8 7.510 0.683 5.350 1.00 0.00 C ATOM 71 O ILE A 8 7.367 -0.434 4.852 1.00 0.00 O ATOM 72 CB ILE A 8 7.849 2.350 3.524 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.877 3.204 2.780 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.656 3.195 3.944 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.352 3.794 1.490 1.00 0.00 C ATOM 0 HA ILE A 8 8.723 2.451 5.494 1.00 0.00 H new ATOM 0 HB ILE A 8 7.498 1.569 2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.206 4.013 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.754 2.594 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.211 3.659 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.916 2.562 4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.985 3.970 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.134 4.387 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.049 2.990 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.493 4.431 1.704 1.00 0.00 H new ATOM 87 N ASP A 9 6.831 1.092 6.416 1.00 0.00 N ATOM 88 CA ASP A 9 5.859 0.232 7.079 1.00 0.00 C ATOM 89 C ASP A 9 4.682 1.048 7.603 1.00 0.00 C ATOM 90 O ASP A 9 4.569 2.243 7.329 1.00 0.00 O ATOM 91 CB ASP A 9 6.520 -0.530 8.229 1.00 0.00 C ATOM 92 CG ASP A 9 6.012 -1.954 8.345 1.00 0.00 C ATOM 93 OD1 ASP A 9 5.648 -2.541 7.305 1.00 0.00 O ATOM 94 OD2 ASP A 9 5.977 -2.481 9.477 1.00 0.00 O ATOM 0 H ASP A 9 6.936 2.014 6.839 1.00 0.00 H new ATOM 0 HA ASP A 9 5.485 -0.484 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.600 -0.543 8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.334 -0.003 9.165 1.00 0.00 H new ATOM 99 N VAL A 10 3.806 0.395 8.361 1.00 0.00 N ATOM 100 CA VAL A 10 2.638 1.060 8.925 1.00 0.00 C ATOM 101 C VAL A 10 3.046 2.124 9.936 1.00 0.00 C ATOM 102 O VAL A 10 4.021 1.959 10.668 1.00 0.00 O ATOM 103 CB VAL A 10 1.694 0.051 9.607 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.415 0.739 10.062 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.381 -1.105 8.669 1.00 0.00 C ATOM 0 H VAL A 10 3.884 -0.594 8.598 1.00 0.00 H new ATOM 0 HA VAL A 10 2.112 1.535 8.097 1.00 0.00 H new ATOM 0 HB VAL A 10 2.196 -0.351 10.487 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.239 0.011 10.541 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.660 1.529 10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.093 1.170 9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.713 -1.808 9.168 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.899 -0.723 7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.306 -1.614 8.398 1.00 0.00 H new ATOM 115 N GLY A 11 2.291 3.218 9.971 1.00 0.00 N ATOM 116 CA GLY A 11 2.589 4.295 10.897 1.00 0.00 C ATOM 117 C GLY A 11 3.871 5.024 10.546 1.00 0.00 C ATOM 118 O GLY A 11 4.726 5.235 11.406 1.00 0.00 O ATOM 0 H GLY A 11 1.479 3.378 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.761 5.004 10.903 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.669 3.891 11.906 1.00 0.00 H new ATOM 122 N CYS A 12 4.006 5.410 9.282 1.00 0.00 N ATOM 123 CA CYS A 12 5.193 6.121 8.824 1.00 0.00 C ATOM 124 C CYS A 12 4.839 7.134 7.737 1.00 0.00 C ATOM 125 O CYS A 12 4.016 6.857 6.865 1.00 0.00 O ATOM 126 CB CYS A 12 6.234 5.131 8.296 1.00 0.00 C ATOM 127 SG CYS A 12 7.912 5.434 8.899 1.00 0.00 S ATOM 0 H CYS A 12 3.308 5.242 8.557 1.00 0.00 H new ATOM 0 HA CYS A 12 5.612 6.660 9.673 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.935 4.121 8.577 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.238 5.171 7.207 1.00 0.00 H new ATOM 0 HG CYS A 12 8.719 4.546 8.400 1.00 0.00 H new ATOM 133 N PRO A 13 5.458 8.328 7.774 1.00 0.00 N ATOM 134 CA PRO A 13 5.201 9.380 6.787 1.00 0.00 C ATOM 135 C PRO A 13 5.900 9.110 5.458 1.00 0.00 C ATOM 136 O PRO A 13 7.109 8.885 5.416 1.00 0.00 O ATOM 137 CB PRO A 13 5.781 10.626 7.452 1.00 0.00 C ATOM 138 CG PRO A 13 6.887 10.113 8.307 1.00 0.00 C ATOM 139 CD PRO A 13 6.456 8.747 8.778 1.00 0.00 C ATOM 0 HA PRO A 13 4.143 9.462 6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.149 11.336 6.711 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.029 11.145 8.046 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.819 10.055 7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.066 10.778 9.152 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.297 8.054 8.820 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.025 8.786 9.778 1.00 0.00 H new ATOM 147 N VAL A 14 5.131 9.134 4.375 1.00 0.00 N ATOM 148 CA VAL A 14 5.677 8.892 3.045 1.00 0.00 C ATOM 149 C VAL A 14 4.831 9.567 1.972 1.00 0.00 C ATOM 150 O VAL A 14 3.601 9.540 2.029 1.00 0.00 O ATOM 151 CB VAL A 14 5.769 7.387 2.738 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.874 6.740 3.561 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.433 6.707 2.996 1.00 0.00 C ATOM 0 H VAL A 14 4.128 9.319 4.392 1.00 0.00 H new ATOM 0 HA VAL A 14 6.680 9.318 3.035 1.00 0.00 H new ATOM 0 HB VAL A 14 6.015 7.264 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.924 5.676 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.828 7.208 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.662 6.872 4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.517 5.643 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.154 6.838 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.669 7.152 2.358 1.00 0.00 H new ATOM 163 N LYS A 15 5.497 10.171 0.994 1.00 0.00 N ATOM 164 CA LYS A 15 4.806 10.853 -0.094 1.00 0.00 C ATOM 165 C LYS A 15 4.502 9.891 -1.236 1.00 0.00 C ATOM 166 O LYS A 15 5.335 9.062 -1.604 1.00 0.00 O ATOM 167 CB LYS A 15 5.650 12.021 -0.606 1.00 0.00 C ATOM 168 CG LYS A 15 5.821 13.140 0.409 1.00 0.00 C ATOM 169 CD LYS A 15 6.814 14.184 -0.075 1.00 0.00 C ATOM 170 CE LYS A 15 6.400 15.584 0.349 1.00 0.00 C ATOM 171 NZ LYS A 15 7.246 16.630 -0.289 1.00 0.00 N ATOM 0 H LYS A 15 6.515 10.202 0.932 1.00 0.00 H new ATOM 0 HA LYS A 15 3.862 11.236 0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.633 11.649 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.187 12.426 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.857 13.613 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.162 12.724 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.803 13.959 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.890 14.139 -1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.356 15.750 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.471 15.671 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.932 17.570 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.239 16.487 -0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.159 16.564 -1.323 1.00 0.00 H new ATOM 185 N VAL A 16 3.301 10.006 -1.794 1.00 0.00 N ATOM 186 CA VAL A 16 2.882 9.147 -2.895 1.00 0.00 C ATOM 187 C VAL A 16 2.611 9.965 -4.154 1.00 0.00 C ATOM 188 O VAL A 16 2.072 11.068 -4.085 1.00 0.00 O ATOM 189 CB VAL A 16 1.615 8.347 -2.535 1.00 0.00 C ATOM 190 CG1 VAL A 16 1.286 7.342 -3.628 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.786 7.649 -1.193 1.00 0.00 C ATOM 0 H VAL A 16 2.600 10.687 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 16 3.700 8.451 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 16 0.781 9.044 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.388 6.788 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.115 7.869 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.118 6.648 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.881 7.089 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.633 6.965 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.967 8.392 -0.417 1.00 0.00 H new ATOM 201 N GLN A 17 2.991 9.415 -5.304 1.00 0.00 N ATOM 202 CA GLN A 17 2.789 10.095 -6.578 1.00 0.00 C ATOM 203 C GLN A 17 1.605 9.498 -7.331 1.00 0.00 C ATOM 204 O GLN A 17 1.669 8.367 -7.815 1.00 0.00 O ATOM 205 CB GLN A 17 4.053 10.000 -7.436 1.00 0.00 C ATOM 206 CG GLN A 17 4.084 10.995 -8.583 1.00 0.00 C ATOM 207 CD GLN A 17 5.474 11.543 -8.843 1.00 0.00 C ATOM 208 OE1 GLN A 17 6.452 10.796 -8.875 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.568 12.854 -9.029 1.00 0.00 N ATOM 0 H GLN A 17 3.440 8.502 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 17 2.575 11.144 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.925 10.161 -6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.134 8.991 -7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.713 10.513 -9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.408 11.821 -8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.731 13.435 -8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.478 13.280 -9.207 1.00 0.00 H new ATOM 218 N LEU A 18 0.523 10.264 -7.427 1.00 0.00 N ATOM 219 CA LEU A 18 -0.676 9.811 -8.122 1.00 0.00 C ATOM 220 C LEU A 18 -0.529 9.987 -9.630 1.00 0.00 C ATOM 221 O LEU A 18 -0.757 9.054 -10.399 1.00 0.00 O ATOM 222 CB LEU A 18 -1.901 10.579 -7.625 1.00 0.00 C ATOM 223 CG LEU A 18 -2.290 10.307 -6.170 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.466 11.182 -5.759 1.00 0.00 C ATOM 225 CD2 LEU A 18 -2.625 8.836 -5.977 1.00 0.00 C ATOM 0 H LEU A 18 0.452 11.202 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.810 8.751 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.713 11.646 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.749 10.333 -8.264 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.441 10.554 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.729 10.975 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.192 12.232 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.321 10.967 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.900 8.659 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.459 8.565 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.756 8.229 -6.231 1.00 0.00 H new ATOM 237 N ARG A 19 -0.145 11.190 -10.045 1.00 0.00 N ATOM 238 CA ARG A 19 0.034 11.489 -11.461 1.00 0.00 C ATOM 239 C ARG A 19 1.357 10.927 -11.973 1.00 0.00 C ATOM 240 O ARG A 19 2.026 10.161 -11.280 1.00 0.00 O ATOM 241 CB ARG A 19 -0.018 12.999 -11.695 1.00 0.00 C ATOM 242 CG ARG A 19 -0.798 13.397 -12.939 1.00 0.00 C ATOM 243 CD ARG A 19 -2.172 13.942 -12.587 1.00 0.00 C ATOM 244 NE ARG A 19 -3.167 12.879 -12.456 1.00 0.00 N ATOM 245 CZ ARG A 19 -3.762 12.289 -13.490 1.00 0.00 C ATOM 246 NH1 ARG A 19 -3.467 12.655 -14.731 1.00 0.00 N ATOM 247 NH2 ARG A 19 -4.656 11.332 -13.282 1.00 0.00 N ATOM 0 H ARG A 19 0.048 11.973 -9.421 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.778 11.015 -12.013 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.469 13.477 -10.825 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.000 13.381 -11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.239 14.150 -13.494 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.906 12.532 -13.594 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.112 14.499 -11.652 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.491 14.644 -13.357 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.420 12.571 -11.517 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.781 13.392 -14.896 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.926 12.199 -15.520 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.887 11.048 -12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.112 10.879 -14.074 1.00 0.00 H new ATOM 261 N SER A 20 1.727 11.314 -13.189 1.00 0.00 N ATOM 262 CA SER A 20 2.970 10.848 -13.793 1.00 0.00 C ATOM 263 C SER A 20 4.030 11.945 -13.770 1.00 0.00 C ATOM 264 O SER A 20 4.171 12.705 -14.728 1.00 0.00 O ATOM 265 CB SER A 20 2.721 10.389 -15.231 1.00 0.00 C ATOM 266 OG SER A 20 3.377 9.161 -15.496 1.00 0.00 O ATOM 0 H SER A 20 1.185 11.948 -13.775 1.00 0.00 H new ATOM 0 HA SER A 20 3.336 10.004 -13.209 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.650 10.276 -15.400 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.075 11.151 -15.926 1.00 0.00 H new ATOM 0 HG SER A 20 3.201 8.889 -16.421 1.00 0.00 H new ATOM 272 N GLY A 21 4.772 12.022 -12.671 1.00 0.00 N ATOM 273 CA GLY A 21 5.810 13.028 -12.545 1.00 0.00 C ATOM 274 C GLY A 21 5.247 14.432 -12.451 1.00 0.00 C ATOM 275 O GLY A 21 5.591 15.301 -13.253 1.00 0.00 O ATOM 0 H GLY A 21 4.673 11.405 -11.865 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.408 12.819 -11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.479 12.965 -13.403 1.00 0.00 H new ATOM 279 N GLU A 22 4.379 14.656 -11.469 1.00 0.00 N ATOM 280 CA GLU A 22 3.767 15.964 -11.272 1.00 0.00 C ATOM 281 C GLU A 22 4.021 16.477 -9.859 1.00 0.00 C ATOM 282 O GLU A 22 4.507 17.592 -9.670 1.00 0.00 O ATOM 283 CB GLU A 22 2.262 15.892 -11.539 1.00 0.00 C ATOM 284 CG GLU A 22 1.705 17.132 -12.220 1.00 0.00 C ATOM 285 CD GLU A 22 0.590 17.785 -11.426 1.00 0.00 C ATOM 286 OE1 GLU A 22 -0.362 17.071 -11.042 1.00 0.00 O ATOM 287 OE2 GLU A 22 0.668 19.008 -11.185 1.00 0.00 O ATOM 0 H GLU A 22 4.084 13.947 -10.797 1.00 0.00 H new ATOM 0 HA GLU A 22 4.221 16.659 -11.978 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.053 15.021 -12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.740 15.741 -10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.510 17.852 -12.369 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.332 16.862 -13.208 1.00 0.00 H new ATOM 294 N GLU A 23 3.688 15.656 -8.867 1.00 0.00 N ATOM 295 CA GLU A 23 3.880 16.027 -7.470 1.00 0.00 C ATOM 296 C GLU A 23 3.508 14.873 -6.544 1.00 0.00 C ATOM 297 O GLU A 23 2.525 14.170 -6.775 1.00 0.00 O ATOM 298 CB GLU A 23 3.042 17.261 -7.129 1.00 0.00 C ATOM 299 CG GLU A 23 1.559 17.086 -7.414 1.00 0.00 C ATOM 300 CD GLU A 23 0.829 18.411 -7.531 1.00 0.00 C ATOM 301 OE1 GLU A 23 0.927 19.227 -6.592 1.00 0.00 O ATOM 302 OE2 GLU A 23 0.160 18.630 -8.562 1.00 0.00 O ATOM 0 H GLU A 23 3.284 14.730 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 23 4.935 16.260 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.175 17.500 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.415 18.112 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.434 16.523 -8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.107 16.495 -6.618 1.00 0.00 H new ATOM 309 N LYS A 24 4.302 14.684 -5.495 1.00 0.00 N ATOM 310 CA LYS A 24 4.056 13.616 -4.533 1.00 0.00 C ATOM 311 C LYS A 24 3.387 14.160 -3.275 1.00 0.00 C ATOM 312 O LYS A 24 3.917 15.053 -2.615 1.00 0.00 O ATOM 313 CB LYS A 24 5.370 12.921 -4.165 1.00 0.00 C ATOM 314 CG LYS A 24 6.145 12.409 -5.368 1.00 0.00 C ATOM 315 CD LYS A 24 7.194 11.387 -4.959 1.00 0.00 C ATOM 316 CE LYS A 24 7.687 10.585 -6.153 1.00 0.00 C ATOM 317 NZ LYS A 24 8.843 9.717 -5.800 1.00 0.00 N ATOM 0 H LYS A 24 5.121 15.256 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 24 3.385 12.892 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.997 13.618 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.155 12.085 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.455 11.959 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.627 13.245 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.035 11.896 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.774 10.711 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.874 9.969 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.976 11.266 -6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.297 9.373 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.531 10.264 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.510 8.907 -5.239 1.00 0.00 H new ATOM 331 N PHE A 25 2.220 13.614 -2.947 1.00 0.00 N ATOM 332 CA PHE A 25 1.480 14.044 -1.768 1.00 0.00 C ATOM 333 C PHE A 25 1.925 13.262 -0.532 1.00 0.00 C ATOM 334 O PHE A 25 1.983 12.032 -0.558 1.00 0.00 O ATOM 335 CB PHE A 25 -0.022 13.860 -1.988 1.00 0.00 C ATOM 336 CG PHE A 25 -0.524 14.484 -3.258 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.969 15.797 -3.272 1.00 0.00 C ATOM 338 CD2 PHE A 25 -0.551 13.759 -4.439 1.00 0.00 C ATOM 339 CE1 PHE A 25 -1.431 16.374 -4.439 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.012 14.331 -5.610 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.452 15.640 -5.610 1.00 0.00 C ATOM 0 H PHE A 25 1.767 12.873 -3.482 1.00 0.00 H new ATOM 0 HA PHE A 25 1.689 15.101 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.251 12.794 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.560 14.291 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.954 16.375 -2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.208 12.735 -4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.775 17.398 -4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.028 13.755 -6.523 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.812 16.090 -6.524 1.00 0.00 H new ATOM 351 N PRO A 26 2.247 13.962 0.571 1.00 0.00 N ATOM 352 CA PRO A 26 2.687 13.318 1.812 1.00 0.00 C ATOM 353 C PRO A 26 1.541 12.624 2.542 1.00 0.00 C ATOM 354 O PRO A 26 0.422 13.135 2.589 1.00 0.00 O ATOM 355 CB PRO A 26 3.223 14.483 2.642 1.00 0.00 C ATOM 356 CG PRO A 26 2.460 15.667 2.162 1.00 0.00 C ATOM 357 CD PRO A 26 2.208 15.433 0.697 1.00 0.00 C ATOM 0 HA PRO A 26 3.422 12.534 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.067 14.316 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.295 14.615 2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.522 15.774 2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.026 16.585 2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.245 15.837 0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.968 15.909 0.078 1.00 0.00 H new ATOM 365 N GLY A 27 1.829 11.457 3.111 1.00 0.00 N ATOM 366 CA GLY A 27 0.813 10.713 3.830 1.00 0.00 C ATOM 367 C GLY A 27 1.406 9.691 4.782 1.00 0.00 C ATOM 368 O GLY A 27 2.490 9.163 4.538 1.00 0.00 O ATOM 0 H GLY A 27 2.748 11.014 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.188 11.407 4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.165 10.206 3.115 1.00 0.00 H new ATOM 372 N VAL A 28 0.692 9.414 5.869 1.00 0.00 N ATOM 373 CA VAL A 28 1.155 8.450 6.860 1.00 0.00 C ATOM 374 C VAL A 28 0.587 7.061 6.582 1.00 0.00 C ATOM 375 O VAL A 28 -0.606 6.908 6.320 1.00 0.00 O ATOM 376 CB VAL A 28 0.762 8.882 8.288 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.752 8.968 8.428 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.348 7.926 9.318 1.00 0.00 C ATOM 0 H VAL A 28 -0.208 9.843 6.085 1.00 0.00 H new ATOM 0 HA VAL A 28 2.242 8.414 6.787 1.00 0.00 H new ATOM 0 HB VAL A 28 1.175 9.874 8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.007 9.274 9.443 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.142 9.699 7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.192 7.992 8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.060 8.248 10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.970 6.920 9.137 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.435 7.925 9.236 1.00 0.00 H new ATOM 388 N VAL A 29 1.451 6.053 6.640 1.00 0.00 N ATOM 389 CA VAL A 29 1.037 4.676 6.393 1.00 0.00 C ATOM 390 C VAL A 29 0.118 4.172 7.500 1.00 0.00 C ATOM 391 O VAL A 29 0.373 4.396 8.683 1.00 0.00 O ATOM 392 CB VAL A 29 2.251 3.734 6.283 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.819 2.365 5.780 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.314 4.334 5.374 1.00 0.00 C ATOM 0 H VAL A 29 2.442 6.163 6.856 1.00 0.00 H new ATOM 0 HA VAL A 29 0.498 4.674 5.446 1.00 0.00 H new ATOM 0 HB VAL A 29 2.684 3.611 7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.689 1.712 5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.098 1.933 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.360 2.467 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.163 3.654 5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.897 4.489 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.645 5.289 5.782 1.00 0.00 H new ATOM 404 N ARG A 30 -0.953 3.489 7.108 1.00 0.00 N ATOM 405 CA ARG A 30 -1.912 2.952 8.068 1.00 0.00 C ATOM 406 C ARG A 30 -1.989 1.431 7.971 1.00 0.00 C ATOM 407 O ARG A 30 -2.105 0.740 8.982 1.00 0.00 O ATOM 408 CB ARG A 30 -3.296 3.560 7.833 1.00 0.00 C ATOM 409 CG ARG A 30 -3.271 5.065 7.623 1.00 0.00 C ATOM 410 CD ARG A 30 -2.662 5.787 8.815 1.00 0.00 C ATOM 411 NE ARG A 30 -3.653 6.574 9.544 1.00 0.00 N ATOM 412 CZ ARG A 30 -3.373 7.310 10.617 1.00 0.00 C ATOM 413 NH1 ARG A 30 -2.134 7.361 11.090 1.00 0.00 N ATOM 414 NH2 ARG A 30 -4.334 7.997 11.219 1.00 0.00 N ATOM 0 H ARG A 30 -1.179 3.294 6.133 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.571 3.217 9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.748 3.087 6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.934 3.331 8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.699 5.298 6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.286 5.427 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.211 5.058 9.489 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.861 6.441 8.472 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.617 6.559 9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.391 6.835 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.925 7.927 11.913 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.288 7.961 10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.119 8.561 12.041 1.00 0.00 H new ATOM 428 N PHE A 31 -1.925 0.916 6.747 1.00 0.00 N ATOM 429 CA PHE A 31 -1.987 -0.522 6.518 1.00 0.00 C ATOM 430 C PHE A 31 -1.006 -0.942 5.429 1.00 0.00 C ATOM 431 O PHE A 31 -0.483 -0.105 4.695 1.00 0.00 O ATOM 432 CB PHE A 31 -3.408 -0.936 6.129 1.00 0.00 C ATOM 433 CG PHE A 31 -3.647 -2.416 6.214 1.00 0.00 C ATOM 434 CD1 PHE A 31 -3.935 -3.016 7.430 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.585 -3.208 5.079 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.155 -4.377 7.512 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.804 -4.570 5.154 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.090 -5.155 6.372 1.00 0.00 C ATOM 0 H PHE A 31 -1.830 1.474 5.899 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.710 -1.025 7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.118 -0.424 6.779 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.609 -0.602 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.988 -2.412 8.324 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.363 -2.755 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.377 -4.832 8.466 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.752 -5.176 4.262 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.263 -6.219 6.433 1.00 0.00 H new ATOM 448 N ARG A 32 -0.761 -2.245 5.331 1.00 0.00 N ATOM 449 CA ARG A 32 0.158 -2.775 4.330 1.00 0.00 C ATOM 450 C ARG A 32 -0.088 -4.262 4.098 1.00 0.00 C ATOM 451 O ARG A 32 -0.112 -5.052 5.042 1.00 0.00 O ATOM 452 CB ARG A 32 1.607 -2.547 4.766 1.00 0.00 C ATOM 453 CG ARG A 32 2.631 -3.043 3.758 1.00 0.00 C ATOM 454 CD ARG A 32 3.946 -3.401 4.429 1.00 0.00 C ATOM 455 NE ARG A 32 3.789 -4.490 5.392 1.00 0.00 N ATOM 456 CZ ARG A 32 3.565 -5.756 5.049 1.00 0.00 C ATOM 457 NH1 ARG A 32 3.467 -6.097 3.770 1.00 0.00 N ATOM 458 NH2 ARG A 32 3.436 -6.685 5.987 1.00 0.00 N ATOM 0 H ARG A 32 -1.185 -2.952 5.931 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.020 -2.246 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.763 -1.482 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.774 -3.050 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.237 -3.916 3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.803 -2.274 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.674 -3.689 3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.345 -2.523 4.936 1.00 0.00 H new ATOM 0 HE ARG A 32 3.855 -4.266 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.563 -5.387 3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.295 -7.069 3.513 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.508 -6.429 6.972 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.264 -7.655 5.724 1.00 0.00 H new ATOM 472 N GLY A 33 -0.269 -4.637 2.836 1.00 0.00 N ATOM 473 CA GLY A 33 -0.510 -6.028 2.503 1.00 0.00 C ATOM 474 C GLY A 33 -1.128 -6.196 1.126 1.00 0.00 C ATOM 475 O GLY A 33 -1.905 -5.349 0.687 1.00 0.00 O ATOM 0 H GLY A 33 -0.253 -4.002 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.431 -6.577 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.170 -6.468 3.250 1.00 0.00 H new ATOM 479 N PRO A 34 -0.799 -7.289 0.415 1.00 0.00 N ATOM 480 CA PRO A 34 -1.338 -7.550 -0.924 1.00 0.00 C ATOM 481 C PRO A 34 -2.862 -7.514 -0.952 1.00 0.00 C ATOM 482 O PRO A 34 -3.511 -7.472 0.093 1.00 0.00 O ATOM 483 CB PRO A 34 -0.832 -8.960 -1.247 1.00 0.00 C ATOM 484 CG PRO A 34 0.381 -9.133 -0.400 1.00 0.00 C ATOM 485 CD PRO A 34 0.120 -8.354 0.859 1.00 0.00 C ATOM 0 HA PRO A 34 -1.021 -6.795 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.586 -9.713 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.593 -9.062 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.556 -10.186 -0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.270 -8.763 -0.911 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.330 -8.977 1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.040 -7.944 1.276 1.00 0.00 H new ATOM 628 N ILE A 44 2.315 -6.181 -3.876 1.00 0.00 N ATOM 629 CA ILE A 44 1.926 -5.758 -2.536 1.00 0.00 C ATOM 630 C ILE A 44 1.427 -4.318 -2.536 1.00 0.00 C ATOM 631 O ILE A 44 1.846 -3.505 -3.360 1.00 0.00 O ATOM 632 CB ILE A 44 3.100 -5.883 -1.544 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.762 -7.256 -1.673 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.618 -5.652 -0.121 1.00 0.00 C ATOM 635 CD1 ILE A 44 4.936 -7.450 -0.739 1.00 0.00 C ATOM 0 HA ILE A 44 1.119 -6.419 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 44 3.841 -5.120 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.019 -8.029 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.099 -7.393 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.458 -5.744 0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.190 -4.653 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.860 -6.393 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.356 -8.445 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.698 -6.700 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.601 -7.345 0.293 1.00 0.00 H new ATOM 647 N PHE A 45 0.529 -4.008 -1.606 1.00 0.00 N ATOM 648 CA PHE A 45 -0.028 -2.664 -1.499 1.00 0.00 C ATOM 649 C PHE A 45 0.288 -2.052 -0.138 1.00 0.00 C ATOM 650 O PHE A 45 0.236 -2.731 0.887 1.00 0.00 O ATOM 651 CB PHE A 45 -1.542 -2.699 -1.718 1.00 0.00 C ATOM 652 CG PHE A 45 -1.938 -3.111 -3.106 1.00 0.00 C ATOM 653 CD1 PHE A 45 -2.000 -4.450 -3.455 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.249 -2.158 -4.064 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.364 -4.833 -4.731 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.614 -2.534 -5.342 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.672 -3.874 -5.677 1.00 0.00 C ATOM 0 H PHE A 45 0.172 -4.669 -0.916 1.00 0.00 H new ATOM 0 HA PHE A 45 0.429 -2.044 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.989 -3.389 -1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.954 -1.712 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.761 -5.204 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.205 -1.110 -3.808 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.408 -5.881 -4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.854 -1.782 -6.079 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.957 -4.171 -6.676 1.00 0.00 H new ATOM 667 N PHE A 46 0.615 -0.763 -0.138 1.00 0.00 N ATOM 668 CA PHE A 46 0.938 -0.057 1.096 1.00 0.00 C ATOM 669 C PHE A 46 -0.043 1.085 1.343 1.00 0.00 C ATOM 670 O PHE A 46 -0.033 2.089 0.631 1.00 0.00 O ATOM 671 CB PHE A 46 2.367 0.487 1.037 1.00 0.00 C ATOM 672 CG PHE A 46 3.419 -0.569 1.218 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.474 -1.663 0.369 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.353 -0.469 2.237 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.442 -2.637 0.533 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.323 -1.439 2.406 1.00 0.00 C ATOM 677 CZ PHE A 46 5.366 -2.525 1.553 1.00 0.00 C ATOM 0 H PHE A 46 0.663 -0.187 -0.979 1.00 0.00 H new ATOM 0 HA PHE A 46 0.859 -0.765 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.520 0.980 0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.490 1.247 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.753 -1.756 -0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.323 0.377 2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.475 -3.484 -0.136 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.046 -1.348 3.203 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.122 -3.286 1.684 1.00 0.00 H new ATOM 687 N GLY A 47 -0.890 0.923 2.354 1.00 0.00 N ATOM 688 CA GLY A 47 -1.865 1.948 2.675 1.00 0.00 C ATOM 689 C GLY A 47 -1.226 3.203 3.237 1.00 0.00 C ATOM 690 O GLY A 47 -0.278 3.128 4.018 1.00 0.00 O ATOM 0 H GLY A 47 -0.918 0.100 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.429 2.202 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.578 1.552 3.398 1.00 0.00 H new ATOM 694 N VAL A 48 -1.748 4.360 2.840 1.00 0.00 N ATOM 695 CA VAL A 48 -1.223 5.637 3.309 1.00 0.00 C ATOM 696 C VAL A 48 -2.305 6.711 3.303 1.00 0.00 C ATOM 697 O VAL A 48 -3.058 6.843 2.338 1.00 0.00 O ATOM 698 CB VAL A 48 -0.040 6.112 2.443 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.611 7.342 3.057 1.00 0.00 C ATOM 700 CG2 VAL A 48 0.975 4.993 2.269 1.00 0.00 C ATOM 0 H VAL A 48 -2.534 4.439 2.195 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.875 5.479 4.330 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.419 6.384 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.444 7.663 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.122 8.146 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.978 7.100 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.804 5.346 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.351 4.688 3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.499 4.142 1.782 1.00 0.00 H new ATOM 710 N GLU A 49 -2.377 7.476 4.387 1.00 0.00 N ATOM 711 CA GLU A 49 -3.368 8.539 4.509 1.00 0.00 C ATOM 712 C GLU A 49 -2.800 9.870 4.025 1.00 0.00 C ATOM 713 O GLU A 49 -1.848 10.396 4.602 1.00 0.00 O ATOM 714 CB GLU A 49 -3.832 8.666 5.959 1.00 0.00 C ATOM 715 CG GLU A 49 -5.045 9.567 6.134 1.00 0.00 C ATOM 716 CD GLU A 49 -5.367 9.837 7.591 1.00 0.00 C ATOM 717 OE1 GLU A 49 -5.951 8.948 8.244 1.00 0.00 O ATOM 718 OE2 GLU A 49 -5.034 10.938 8.078 1.00 0.00 O ATOM 0 H GLU A 49 -1.761 7.380 5.194 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.222 8.280 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.068 7.674 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.011 9.055 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.866 10.514 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.908 9.105 5.655 1.00 0.00 H new ATOM 725 N LEU A 50 -3.390 10.407 2.962 1.00 0.00 N ATOM 726 CA LEU A 50 -2.944 11.676 2.400 1.00 0.00 C ATOM 727 C LEU A 50 -3.055 12.798 3.428 1.00 0.00 C ATOM 728 O LEU A 50 -4.050 12.900 4.146 1.00 0.00 O ATOM 729 CB LEU A 50 -3.767 12.025 1.158 1.00 0.00 C ATOM 730 CG LEU A 50 -3.637 11.035 -0.001 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.693 11.313 -1.061 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.244 11.104 -0.606 1.00 0.00 C ATOM 0 H LEU A 50 -4.178 9.983 2.473 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.897 11.570 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.817 12.092 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.468 13.013 0.808 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.795 10.028 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.585 10.599 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.685 11.214 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.566 12.325 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.169 10.393 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.059 12.111 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.504 10.857 0.155 1.00 0.00 H new ATOM 744 N LEU A 51 -2.025 13.636 3.495 1.00 0.00 N ATOM 745 CA LEU A 51 -2.006 14.750 4.435 1.00 0.00 C ATOM 746 C LEU A 51 -2.807 15.932 3.895 1.00 0.00 C ATOM 747 O LEU A 51 -3.367 15.866 2.801 1.00 0.00 O ATOM 748 CB LEU A 51 -0.565 15.181 4.719 1.00 0.00 C ATOM 749 CG LEU A 51 0.079 14.519 5.939 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.561 14.279 5.697 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.130 15.374 7.180 1.00 0.00 C ATOM 0 H LEU A 51 -1.193 13.564 2.909 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.467 14.417 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.044 14.962 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.546 16.262 4.858 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.401 13.554 6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.001 13.808 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.688 13.626 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.058 15.231 5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.334 14.889 8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.324 16.353 7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.198 15.493 7.364 1.00 0.00 H new ATOM 763 N GLU A 52 -2.858 17.010 4.672 1.00 0.00 N ATOM 764 CA GLU A 52 -3.591 18.208 4.273 1.00 0.00 C ATOM 765 C GLU A 52 -3.144 18.694 2.898 1.00 0.00 C ATOM 766 O GLU A 52 -3.927 19.285 2.152 1.00 0.00 O ATOM 767 CB GLU A 52 -3.393 19.319 5.306 1.00 0.00 C ATOM 768 CG GLU A 52 -1.935 19.577 5.649 1.00 0.00 C ATOM 769 CD GLU A 52 -1.751 20.793 6.536 1.00 0.00 C ATOM 770 OE1 GLU A 52 -2.015 20.686 7.752 1.00 0.00 O ATOM 771 OE2 GLU A 52 -1.343 21.853 6.015 1.00 0.00 O ATOM 0 H GLU A 52 -2.401 17.079 5.581 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.649 17.951 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.837 20.240 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.931 19.057 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.523 18.701 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.368 19.714 4.728 1.00 0.00 H new ATOM 778 N GLU A 53 -1.882 18.442 2.566 1.00 0.00 N ATOM 779 CA GLU A 53 -1.333 18.854 1.280 1.00 0.00 C ATOM 780 C GLU A 53 -2.067 18.169 0.132 1.00 0.00 C ATOM 781 O GLU A 53 -2.461 18.816 -0.839 1.00 0.00 O ATOM 782 CB GLU A 53 0.160 18.528 1.211 1.00 0.00 C ATOM 783 CG GLU A 53 0.926 19.392 0.222 1.00 0.00 C ATOM 784 CD GLU A 53 1.582 18.581 -0.878 1.00 0.00 C ATOM 785 OE1 GLU A 53 0.865 18.141 -1.800 1.00 0.00 O ATOM 786 OE2 GLU A 53 2.815 18.385 -0.816 1.00 0.00 O ATOM 0 H GLU A 53 -1.220 17.954 3.170 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.468 19.931 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.596 18.651 2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.282 17.480 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.245 20.117 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.690 19.958 0.756 1.00 0.00 H new ATOM 793 N GLY A 54 -2.250 16.857 0.250 1.00 0.00 N ATOM 794 CA GLY A 54 -2.938 16.108 -0.784 1.00 0.00 C ATOM 795 C GLY A 54 -4.183 15.416 -0.266 1.00 0.00 C ATOM 796 O GLY A 54 -4.512 14.310 -0.696 1.00 0.00 O ATOM 0 H GLY A 54 -1.934 16.300 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.212 16.782 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.260 15.364 -1.202 1.00 0.00 H new ATOM 800 N ARG A 55 -4.877 16.068 0.661 1.00 0.00 N ATOM 801 CA ARG A 55 -6.093 15.510 1.241 1.00 0.00 C ATOM 802 C ARG A 55 -7.269 15.649 0.278 1.00 0.00 C ATOM 803 O ARG A 55 -7.483 16.712 -0.306 1.00 0.00 O ATOM 804 CB ARG A 55 -6.415 16.205 2.566 1.00 0.00 C ATOM 805 CG ARG A 55 -6.639 15.242 3.720 1.00 0.00 C ATOM 806 CD ARG A 55 -6.367 15.906 5.061 1.00 0.00 C ATOM 807 NE ARG A 55 -6.543 14.979 6.176 1.00 0.00 N ATOM 808 CZ ARG A 55 -6.712 15.365 7.440 1.00 0.00 C ATOM 809 NH1 ARG A 55 -6.730 16.654 7.752 1.00 0.00 N ATOM 810 NH2 ARG A 55 -6.866 14.457 8.394 1.00 0.00 N ATOM 0 H ARG A 55 -4.618 16.984 1.027 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.925 14.449 1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.598 16.880 2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.307 16.818 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.665 14.876 3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.988 14.375 3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.350 16.297 5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.037 16.756 5.187 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.536 13.979 5.975 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.614 17.357 7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.860 16.942 8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.855 13.464 8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.995 14.751 9.362 1.00 0.00 H new ATOM 824 N GLY A 56 -8.026 14.570 0.117 1.00 0.00 N ATOM 825 CA GLY A 56 -9.170 14.592 -0.776 1.00 0.00 C ATOM 826 C GLY A 56 -8.866 13.975 -2.127 1.00 0.00 C ATOM 827 O GLY A 56 -9.443 14.368 -3.141 1.00 0.00 O ATOM 0 H GLY A 56 -7.868 13.680 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.998 14.055 -0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.497 15.622 -0.916 1.00 0.00 H new ATOM 831 N GLN A 57 -7.955 13.007 -2.141 1.00 0.00 N ATOM 832 CA GLN A 57 -7.574 12.334 -3.377 1.00 0.00 C ATOM 833 C GLN A 57 -7.371 10.840 -3.144 1.00 0.00 C ATOM 834 O GLN A 57 -6.460 10.233 -3.705 1.00 0.00 O ATOM 835 CB GLN A 57 -6.296 12.953 -3.945 1.00 0.00 C ATOM 836 CG GLN A 57 -6.466 14.397 -4.390 1.00 0.00 C ATOM 837 CD GLN A 57 -6.540 14.538 -5.899 1.00 0.00 C ATOM 838 OE1 GLN A 57 -7.462 15.156 -6.431 1.00 0.00 O ATOM 839 NE2 GLN A 57 -5.567 13.963 -6.595 1.00 0.00 N ATOM 0 H GLN A 57 -7.467 12.671 -1.310 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.383 12.463 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.512 12.904 -3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.959 12.357 -4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.374 14.806 -3.946 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.632 14.990 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.822 13.461 -6.112 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.564 14.024 -7.613 1.00 0.00 H new ATOM 848 N GLY A 58 -8.228 10.255 -2.312 1.00 0.00 N ATOM 849 CA GLY A 58 -8.124 8.838 -2.019 1.00 0.00 C ATOM 850 C GLY A 58 -9.185 8.020 -2.730 1.00 0.00 C ATOM 851 O GLY A 58 -10.282 8.510 -2.994 1.00 0.00 O ATOM 0 H GLY A 58 -8.991 10.737 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.137 8.481 -2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.212 8.685 -0.943 1.00 0.00 H new ATOM 855 N PHE A 59 -8.855 6.771 -3.040 1.00 0.00 N ATOM 856 CA PHE A 59 -9.787 5.882 -3.726 1.00 0.00 C ATOM 857 C PHE A 59 -10.284 4.787 -2.787 1.00 0.00 C ATOM 858 O PHE A 59 -11.480 4.498 -2.734 1.00 0.00 O ATOM 859 CB PHE A 59 -9.121 5.254 -4.952 1.00 0.00 C ATOM 860 CG PHE A 59 -7.713 4.791 -4.703 1.00 0.00 C ATOM 861 CD1 PHE A 59 -7.463 3.508 -4.246 1.00 0.00 C ATOM 862 CD2 PHE A 59 -6.641 5.641 -4.927 1.00 0.00 C ATOM 863 CE1 PHE A 59 -6.169 3.080 -4.016 1.00 0.00 C ATOM 864 CE2 PHE A 59 -5.346 5.218 -4.699 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.110 3.935 -4.243 1.00 0.00 C ATOM 0 H PHE A 59 -7.950 6.351 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.642 6.475 -4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.719 4.406 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.117 5.980 -5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.288 2.834 -4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.820 6.645 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.987 2.077 -3.659 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.519 5.889 -4.877 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.098 3.602 -4.065 1.00 0.00 H new ATOM 875 N THR A 60 -9.361 4.181 -2.049 1.00 0.00 N ATOM 876 CA THR A 60 -9.707 3.117 -1.114 1.00 0.00 C ATOM 877 C THR A 60 -10.461 3.673 0.089 1.00 0.00 C ATOM 878 O THR A 60 -11.507 3.149 0.475 1.00 0.00 O ATOM 879 CB THR A 60 -8.446 2.385 -0.650 1.00 0.00 C ATOM 880 OG1 THR A 60 -8.774 1.350 0.261 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.438 3.288 0.027 1.00 0.00 C ATOM 0 H THR A 60 -8.367 4.408 -2.080 1.00 0.00 H new ATOM 0 HA THR A 60 -10.357 2.411 -1.631 1.00 0.00 H new ATOM 0 HB THR A 60 -7.996 1.986 -1.559 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.955 0.893 0.545 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.570 2.702 0.330 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.125 4.068 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.892 3.745 0.906 1.00 0.00 H new ATOM 889 N ASP A 61 -9.929 4.740 0.678 1.00 0.00 N ATOM 890 CA ASP A 61 -10.555 5.370 1.835 1.00 0.00 C ATOM 891 C ASP A 61 -10.758 4.365 2.966 1.00 0.00 C ATOM 892 O ASP A 61 -11.678 4.503 3.773 1.00 0.00 O ATOM 893 CB ASP A 61 -11.897 5.990 1.440 1.00 0.00 C ATOM 894 CG ASP A 61 -11.800 6.823 0.178 1.00 0.00 C ATOM 895 OD1 ASP A 61 -10.752 7.468 -0.029 1.00 0.00 O ATOM 896 OD2 ASP A 61 -12.773 6.828 -0.606 1.00 0.00 O ATOM 0 H ASP A 61 -9.065 5.187 0.372 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.889 6.156 2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.631 5.198 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.260 6.614 2.257 1.00 0.00 H new ATOM 901 N GLY A 62 -9.895 3.356 3.022 1.00 0.00 N ATOM 902 CA GLY A 62 -9.999 2.346 4.058 1.00 0.00 C ATOM 903 C GLY A 62 -10.752 1.112 3.599 1.00 0.00 C ATOM 904 O GLY A 62 -10.557 0.023 4.136 1.00 0.00 O ATOM 0 H GLY A 62 -9.125 3.220 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.998 2.057 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.503 2.772 4.926 1.00 0.00 H new ATOM 908 N VAL A 63 -11.616 1.283 2.603 1.00 0.00 N ATOM 909 CA VAL A 63 -12.400 0.172 2.074 1.00 0.00 C ATOM 910 C VAL A 63 -12.068 -0.087 0.607 1.00 0.00 C ATOM 911 O VAL A 63 -12.064 0.832 -0.211 1.00 0.00 O ATOM 912 CB VAL A 63 -13.913 0.436 2.212 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.322 1.662 1.410 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.712 -0.784 1.779 1.00 0.00 C ATOM 0 H VAL A 63 -11.791 2.178 2.147 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.139 -0.708 2.661 1.00 0.00 H new ATOM 0 HB VAL A 63 -14.131 0.631 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.393 1.829 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.779 2.533 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.088 1.503 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.777 -0.577 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.488 -1.015 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.444 -1.635 2.405 1.00 0.00 H new ATOM 924 N TYR A 64 -11.789 -1.345 0.282 1.00 0.00 N ATOM 925 CA TYR A 64 -11.455 -1.726 -1.086 1.00 0.00 C ATOM 926 C TYR A 64 -12.516 -2.653 -1.668 1.00 0.00 C ATOM 927 O TYR A 64 -12.639 -3.808 -1.258 1.00 0.00 O ATOM 928 CB TYR A 64 -10.086 -2.408 -1.127 1.00 0.00 C ATOM 929 CG TYR A 64 -9.602 -2.710 -2.528 1.00 0.00 C ATOM 930 CD1 TYR A 64 -8.888 -1.765 -3.255 1.00 0.00 C ATOM 931 CD2 TYR A 64 -9.859 -3.938 -3.122 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.443 -2.037 -4.535 1.00 0.00 C ATOM 933 CE2 TYR A 64 -9.417 -4.219 -4.402 1.00 0.00 C ATOM 934 CZ TYR A 64 -8.711 -3.265 -5.104 1.00 0.00 C ATOM 935 OH TYR A 64 -8.270 -3.540 -6.377 1.00 0.00 O ATOM 0 H TYR A 64 -11.788 -2.118 0.947 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.420 -0.820 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.356 -1.770 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.135 -3.338 -0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.677 -0.803 -2.813 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.413 -4.687 -2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.889 -1.292 -5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.624 -5.180 -4.849 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.541 -4.448 -6.628 1.00 0.00 H new ATOM 945 N GLN A 65 -13.280 -2.141 -2.627 1.00 0.00 N ATOM 946 CA GLN A 65 -14.331 -2.923 -3.269 1.00 0.00 C ATOM 947 C GLN A 65 -15.361 -3.402 -2.249 1.00 0.00 C ATOM 948 O GLN A 65 -16.041 -4.405 -2.465 1.00 0.00 O ATOM 949 CB GLN A 65 -13.726 -4.123 -4.000 1.00 0.00 C ATOM 950 CG GLN A 65 -12.906 -3.742 -5.221 1.00 0.00 C ATOM 951 CD GLN A 65 -13.387 -4.426 -6.487 1.00 0.00 C ATOM 952 OE1 GLN A 65 -13.048 -5.579 -6.750 1.00 0.00 O ATOM 953 NE2 GLN A 65 -14.183 -3.714 -7.277 1.00 0.00 N ATOM 0 H GLN A 65 -13.191 -1.187 -2.977 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.836 -2.280 -3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.094 -4.679 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.529 -4.793 -4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.948 -2.662 -5.359 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.862 -4.001 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.438 -2.761 -7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.539 -4.121 -8.142 1.00 0.00 H new ATOM 962 N GLY A 66 -15.471 -2.681 -1.136 1.00 0.00 N ATOM 963 CA GLY A 66 -16.422 -3.053 -0.106 1.00 0.00 C ATOM 964 C GLY A 66 -15.790 -3.878 0.999 1.00 0.00 C ATOM 965 O GLY A 66 -16.477 -4.626 1.694 1.00 0.00 O ATOM 0 H GLY A 66 -14.919 -1.848 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.859 -2.151 0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.237 -3.619 -0.556 1.00 0.00 H new ATOM 969 N LYS A 67 -14.477 -3.742 1.160 1.00 0.00 N ATOM 970 CA LYS A 67 -13.754 -4.482 2.189 1.00 0.00 C ATOM 971 C LYS A 67 -12.963 -3.534 3.083 1.00 0.00 C ATOM 972 O LYS A 67 -11.973 -2.942 2.656 1.00 0.00 O ATOM 973 CB LYS A 67 -12.812 -5.501 1.546 1.00 0.00 C ATOM 974 CG LYS A 67 -12.214 -6.487 2.538 1.00 0.00 C ATOM 975 CD LYS A 67 -13.271 -7.424 3.101 1.00 0.00 C ATOM 976 CE LYS A 67 -13.555 -7.130 4.565 1.00 0.00 C ATOM 977 NZ LYS A 67 -14.543 -8.084 5.142 1.00 0.00 N ATOM 0 H LYS A 67 -13.893 -3.128 0.592 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.483 -5.010 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.356 -6.054 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.004 -4.970 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.434 -7.070 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.739 -5.941 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.191 -7.325 2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.937 -8.456 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.626 -7.182 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.932 -6.112 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.709 -7.849 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.438 -8.016 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.172 -9.053 5.071 1.00 0.00 H new ATOM 991 N GLN A 68 -13.409 -3.395 4.327 1.00 0.00 N ATOM 992 CA GLN A 68 -12.743 -2.519 5.285 1.00 0.00 C ATOM 993 C GLN A 68 -11.406 -3.108 5.723 1.00 0.00 C ATOM 994 O GLN A 68 -11.348 -3.929 6.639 1.00 0.00 O ATOM 995 CB GLN A 68 -13.637 -2.290 6.504 1.00 0.00 C ATOM 996 CG GLN A 68 -13.500 -0.901 7.107 1.00 0.00 C ATOM 997 CD GLN A 68 -13.893 0.195 6.137 1.00 0.00 C ATOM 998 OE1 GLN A 68 -14.801 0.025 5.324 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.208 1.331 6.219 1.00 0.00 N ATOM 0 H GLN A 68 -14.229 -3.877 4.696 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.555 -1.563 4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.676 -2.452 6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.397 -3.033 7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -14.123 -0.833 7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.469 -0.747 7.426 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.463 1.428 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.428 2.105 5.592 1.00 0.00 H new ATOM 1008 N LEU A 69 -10.334 -2.684 5.064 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.996 -3.169 5.385 1.00 0.00 C ATOM 1010 C LEU A 69 -8.391 -2.375 6.538 1.00 0.00 C ATOM 1011 O LEU A 69 -7.707 -2.932 7.396 1.00 0.00 O ATOM 1012 CB LEU A 69 -8.088 -3.078 4.156 1.00 0.00 C ATOM 1013 CG LEU A 69 -8.393 -4.089 3.049 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -7.392 -3.952 1.912 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -8.381 -5.505 3.604 1.00 0.00 C ATOM 0 H LEU A 69 -10.365 -2.005 4.304 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.079 -4.212 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.164 -2.073 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.055 -3.213 4.476 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.389 -3.882 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.624 -4.679 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.448 -2.946 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.386 -4.133 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.600 -6.211 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.398 -5.724 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.136 -5.596 4.385 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.650 -1.071 6.551 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.131 -0.200 7.599 1.00 0.00 C ATOM 1029 C PHE A 70 -9.047 1.002 7.809 1.00 0.00 C ATOM 1030 O PHE A 70 -9.981 1.224 7.040 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.720 0.274 7.244 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.647 1.018 5.941 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.929 0.376 4.745 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.297 2.358 5.912 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.863 1.058 3.545 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.230 3.046 4.715 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.512 2.395 3.531 1.00 0.00 C ATOM 0 H PHE A 70 -9.216 -0.595 5.848 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.092 -0.771 8.527 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.350 0.918 8.042 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.056 -0.589 7.198 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.203 -0.669 4.751 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.074 2.871 6.836 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.085 0.547 2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.957 4.091 4.706 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.458 2.930 2.594 1.00 0.00 H new ATOM 1047 N GLN A 71 -8.771 1.774 8.855 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.571 2.952 9.166 1.00 0.00 C ATOM 1049 C GLN A 71 -8.871 4.224 8.699 1.00 0.00 C ATOM 1050 O GLN A 71 -7.826 4.601 9.231 1.00 0.00 O ATOM 1051 CB GLN A 71 -9.844 3.028 10.669 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.263 3.453 11.008 1.00 0.00 C ATOM 1053 CD GLN A 71 -11.410 4.959 11.115 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -10.642 5.622 11.812 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -12.402 5.507 10.422 1.00 0.00 N ATOM 0 H GLN A 71 -8.000 1.605 9.501 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.520 2.866 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.649 2.053 11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.145 3.731 11.122 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.943 3.079 10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.560 2.995 11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.015 4.919 9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.551 6.516 10.455 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.453 4.882 7.701 1.00 0.00 N ATOM 1065 CA CYS A 72 -8.886 6.112 7.163 1.00 0.00 C ATOM 1066 C CYS A 72 -9.977 7.146 6.902 1.00 0.00 C ATOM 1067 O CYS A 72 -11.167 6.838 6.971 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.119 5.822 5.870 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.430 6.468 5.854 1.00 0.00 S ATOM 0 H CYS A 72 -10.317 4.583 7.249 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.196 6.519 7.902 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.086 4.744 5.714 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.668 6.249 5.031 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.279 7.313 6.831 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.564 8.374 6.605 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.508 9.453 6.334 1.00 0.00 C ATOM 1077 C ASP A 73 -11.058 9.352 4.915 1.00 0.00 C ATOM 1078 O ASP A 73 -10.597 8.536 4.116 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.834 10.811 6.537 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.847 11.251 7.988 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -10.950 11.373 8.562 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -8.755 11.475 8.550 1.00 0.00 O ATOM 0 H ASP A 73 -8.583 8.647 6.546 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.339 9.359 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.804 10.759 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.341 11.560 5.928 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.045 10.187 4.607 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.658 10.191 3.284 1.00 0.00 C ATOM 1089 C GLU A 74 -11.712 10.789 2.247 1.00 0.00 C ATOM 1090 O GLU A 74 -11.255 11.923 2.390 1.00 0.00 O ATOM 1091 CB GLU A 74 -13.970 10.978 3.309 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.971 10.526 2.260 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.366 11.064 2.514 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.869 10.898 3.644 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -16.954 11.652 1.583 1.00 0.00 O ATOM 0 H GLU A 74 -12.437 10.869 5.256 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.867 9.158 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.423 10.882 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.752 12.036 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.633 10.853 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.004 9.437 2.240 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.422 10.019 1.204 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.531 10.472 0.144 1.00 0.00 C ATOM 1104 C ASP A 75 -9.145 10.789 0.697 1.00 0.00 C ATOM 1105 O ASP A 75 -8.497 11.745 0.269 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.112 11.707 -0.548 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.194 11.355 -1.549 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.890 10.338 -1.337 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -12.346 12.093 -2.544 1.00 0.00 O ATOM 0 H ASP A 75 -11.792 9.078 1.071 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.436 9.667 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.522 12.382 0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.312 12.245 -1.057 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.696 9.980 1.650 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.386 10.171 2.264 1.00 0.00 C ATOM 1116 C CYS A 76 -6.514 8.934 2.083 1.00 0.00 C ATOM 1117 O CYS A 76 -5.483 8.982 1.411 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.539 10.489 3.753 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.023 12.197 4.097 1.00 0.00 S ATOM 0 H CYS A 76 -9.220 9.185 2.015 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.899 11.011 1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.283 9.818 4.182 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.595 10.282 4.257 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.197 12.427 3.587 1.00 0.00 H new ATOM 1125 N GLY A 77 -6.933 7.827 2.686 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.179 6.592 2.579 1.00 0.00 C ATOM 1127 C GLY A 77 -6.018 6.133 1.143 1.00 0.00 C ATOM 1128 O GLY A 77 -6.919 6.311 0.323 1.00 0.00 O ATOM 0 H GLY A 77 -7.782 7.763 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.194 6.731 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.681 5.813 3.152 1.00 0.00 H new ATOM 1132 N VAL A 78 -4.867 5.543 0.837 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.593 5.059 -0.511 1.00 0.00 C ATOM 1134 C VAL A 78 -3.612 3.891 -0.489 1.00 0.00 C ATOM 1135 O VAL A 78 -2.677 3.868 0.310 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.019 6.177 -1.403 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.090 7.208 -1.722 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.820 6.831 -0.732 1.00 0.00 C ATOM 0 H VAL A 78 -4.110 5.389 1.503 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.544 4.724 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.684 5.734 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.666 7.990 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.915 6.726 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.458 7.649 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.427 7.618 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.126 7.261 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.046 6.083 -0.560 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.834 2.925 -1.375 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.970 1.752 -1.460 1.00 0.00 C ATOM 1150 C PHE A 79 -2.045 1.846 -2.669 1.00 0.00 C ATOM 1151 O PHE A 79 -2.503 1.919 -3.810 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.812 0.478 -1.545 1.00 0.00 C ATOM 1153 CG PHE A 79 -4.103 -0.140 -0.207 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -3.085 -0.351 0.709 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.393 -0.511 0.133 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.349 -0.919 1.941 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.664 -1.080 1.363 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.640 -1.285 2.268 1.00 0.00 C ATOM 0 H PHE A 79 -4.604 2.931 -2.044 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.358 1.715 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.754 0.708 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.292 -0.250 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.073 -0.068 0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.197 -0.354 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.547 -1.076 2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.675 -1.364 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.849 -1.731 3.229 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.741 1.845 -2.413 1.00 0.00 N ATOM 1169 CA VAL A 80 0.248 1.930 -3.481 1.00 0.00 C ATOM 1170 C VAL A 80 1.466 1.062 -3.177 1.00 0.00 C ATOM 1171 O VAL A 80 1.673 0.645 -2.038 1.00 0.00 O ATOM 1172 CB VAL A 80 0.708 3.382 -3.707 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.452 4.244 -4.182 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.319 3.954 -2.436 1.00 0.00 C ATOM 0 H VAL A 80 -0.345 1.786 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.235 1.565 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 80 1.473 3.383 -4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.106 5.266 -4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.840 3.847 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.242 4.237 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.638 4.981 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.578 3.939 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.180 3.353 -2.143 1.00 0.00 H new ATOM 1184 N ALA A 81 2.266 0.792 -4.203 1.00 0.00 N ATOM 1185 CA ALA A 81 3.462 -0.027 -4.047 1.00 0.00 C ATOM 1186 C ALA A 81 4.587 0.759 -3.382 1.00 0.00 C ATOM 1187 O ALA A 81 4.570 1.990 -3.359 1.00 0.00 O ATOM 1188 CB ALA A 81 3.915 -0.560 -5.398 1.00 0.00 C ATOM 0 H ALA A 81 2.107 1.129 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 81 3.213 -0.868 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.809 -1.170 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.122 -1.167 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.139 0.275 -6.062 1.00 0.00 H new ATOM 1194 N LEU A 82 5.567 0.036 -2.844 1.00 0.00 N ATOM 1195 CA LEU A 82 6.705 0.663 -2.177 1.00 0.00 C ATOM 1196 C LEU A 82 7.341 1.724 -3.068 1.00 0.00 C ATOM 1197 O LEU A 82 7.608 2.842 -2.628 1.00 0.00 O ATOM 1198 CB LEU A 82 7.746 -0.394 -1.799 1.00 0.00 C ATOM 1199 CG LEU A 82 9.030 0.156 -1.174 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.819 0.454 0.303 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.176 -0.827 -1.363 1.00 0.00 C ATOM 0 H LEU A 82 5.596 -0.984 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 82 6.342 1.147 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.291 -1.096 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.008 -0.960 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 82 9.288 1.087 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.742 0.844 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.026 1.193 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.537 -0.462 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.082 -0.421 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.926 -1.774 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.342 -0.992 -2.428 1.00 0.00 H new ATOM 1213 N ASP A 83 7.576 1.367 -4.326 1.00 0.00 N ATOM 1214 CA ASP A 83 8.175 2.290 -5.283 1.00 0.00 C ATOM 1215 C ASP A 83 7.349 3.567 -5.390 1.00 0.00 C ATOM 1216 O ASP A 83 7.874 4.633 -5.710 1.00 0.00 O ATOM 1217 CB ASP A 83 8.295 1.628 -6.657 1.00 0.00 C ATOM 1218 CG ASP A 83 9.633 0.942 -6.853 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.025 0.144 -5.976 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.288 1.203 -7.884 1.00 0.00 O ATOM 0 H ASP A 83 7.361 0.445 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 83 9.172 2.550 -4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.494 0.898 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.159 2.381 -7.433 1.00 0.00 H new ATOM 1225 N LYS A 84 6.052 3.453 -5.116 1.00 0.00 N ATOM 1226 CA LYS A 84 5.154 4.600 -5.178 1.00 0.00 C ATOM 1227 C LYS A 84 5.247 5.445 -3.908 1.00 0.00 C ATOM 1228 O LYS A 84 4.632 6.507 -3.815 1.00 0.00 O ATOM 1229 CB LYS A 84 3.714 4.132 -5.387 1.00 0.00 C ATOM 1230 CG LYS A 84 3.506 3.354 -6.677 1.00 0.00 C ATOM 1231 CD LYS A 84 2.142 3.636 -7.285 1.00 0.00 C ATOM 1232 CE LYS A 84 1.495 2.368 -7.817 1.00 0.00 C ATOM 1233 NZ LYS A 84 2.378 1.652 -8.780 1.00 0.00 N ATOM 0 H LYS A 84 5.601 2.578 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 84 5.458 5.219 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.418 3.507 -4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.055 5.000 -5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.285 3.618 -7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.603 2.287 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.494 4.088 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.246 4.359 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.255 1.707 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.554 2.619 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.817 0.961 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.804 2.337 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.130 1.157 -8.259 1.00 0.00 H new ATOM 1247 N LEU A 85 6.016 4.970 -2.928 1.00 0.00 N ATOM 1248 CA LEU A 85 6.178 5.689 -1.670 1.00 0.00 C ATOM 1249 C LEU A 85 7.539 6.373 -1.602 1.00 0.00 C ATOM 1250 O LEU A 85 8.549 5.815 -2.031 1.00 0.00 O ATOM 1251 CB LEU A 85 6.020 4.731 -0.488 1.00 0.00 C ATOM 1252 CG LEU A 85 4.665 4.025 -0.403 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.733 2.853 0.563 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.581 5.006 0.019 1.00 0.00 C ATOM 0 H LEU A 85 6.534 4.093 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 85 5.404 6.455 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.803 3.975 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.181 5.288 0.435 1.00 0.00 H new ATOM 0 HG LEU A 85 4.414 3.639 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.760 2.363 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.482 2.140 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.006 3.214 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.623 4.488 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.826 5.421 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.516 5.812 -0.712 1.00 0.00 H new ATOM 1266 N GLU A 86 7.559 7.587 -1.059 1.00 0.00 N ATOM 1267 CA GLU A 86 8.796 8.349 -0.931 1.00 0.00 C ATOM 1268 C GLU A 86 9.062 8.709 0.527 1.00 0.00 C ATOM 1269 O GLU A 86 8.355 9.530 1.114 1.00 0.00 O ATOM 1270 CB GLU A 86 8.727 9.621 -1.778 1.00 0.00 C ATOM 1271 CG GLU A 86 10.074 10.296 -1.972 1.00 0.00 C ATOM 1272 CD GLU A 86 10.810 9.787 -3.196 1.00 0.00 C ATOM 1273 OE1 GLU A 86 11.260 8.622 -3.177 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.935 10.553 -4.175 1.00 0.00 O ATOM 0 H GLU A 86 6.732 8.064 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 86 9.616 7.727 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.309 9.375 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.042 10.325 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.927 11.372 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.690 10.131 -1.088 1.00 0.00 H new ATOM 1281 N LEU A 87 10.083 8.088 1.108 1.00 0.00 N ATOM 1282 CA LEU A 87 10.442 8.343 2.499 1.00 0.00 C ATOM 1283 C LEU A 87 10.778 9.814 2.717 1.00 0.00 C ATOM 1284 O LEU A 87 11.446 10.437 1.892 1.00 0.00 O ATOM 1285 CB LEU A 87 11.629 7.470 2.910 1.00 0.00 C ATOM 1286 CG LEU A 87 11.605 6.985 4.361 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.302 6.261 4.660 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.795 6.079 4.638 1.00 0.00 C ATOM 0 H LEU A 87 10.677 7.405 0.638 1.00 0.00 H new ATOM 0 HA LEU A 87 9.582 8.092 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.666 6.601 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.548 8.033 2.746 1.00 0.00 H new ATOM 0 HG LEU A 87 11.673 7.853 5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.303 5.923 5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.464 6.939 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.204 5.401 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.763 5.743 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.756 5.215 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.720 6.629 4.464 1.00 0.00 H new ATOM 1300 N ILE A 88 10.310 10.365 3.833 1.00 0.00 N ATOM 1301 CA ILE A 88 10.561 11.763 4.160 1.00 0.00 C ATOM 1302 C ILE A 88 11.536 11.886 5.328 1.00 0.00 C ATOM 1303 O ILE A 88 11.702 10.952 6.111 1.00 0.00 O ATOM 1304 CB ILE A 88 9.255 12.501 4.516 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.201 12.272 3.432 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.519 13.988 4.699 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.799 12.103 3.978 1.00 0.00 C ATOM 0 H ILE A 88 9.755 9.863 4.526 1.00 0.00 H new ATOM 0 HA ILE A 88 10.998 12.222 3.273 1.00 0.00 H new ATOM 0 HB ILE A 88 8.875 12.101 5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.214 13.114 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.468 11.385 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.587 14.495 4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.239 14.133 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.920 14.403 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.104 11.945 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.770 11.243 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.512 13.000 4.527 1.00 0.00 H new