USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 831 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 34 MET CE :methyl 163:sc= -4.11! (180deg=-1.7!) USER MOD Set 1.2: A 58 ASN : amide:sc= -10.3! C(o=-14!,f=-17!) USER MOD Set 2.1: A 15 MET CE :methyl -145:sc= -2.6 (180deg=-5.3!) USER MOD Set 2.2: A 87 MET CE :methyl -121:sc= -0.208 (180deg=-1.91!) USER MOD Single : A 9 GLN : amide:sc= -0.953 K(o=-0.95,f=-0.44) USER MOD Single : A 13 GLN : amide:sc= -1.54! K(o=-1.5!,f=-0.9) USER MOD Single : A 16 GLN : amide:sc= -0.388 K(o=-0.39,f=-1.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.912 K(o=-0.91,f=-4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00798 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -140:sc= -5.46! (180deg=-9.49!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 150:sc= -0.48 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= -0.0332 (180deg=-0.802) USER MOD Single : A 73 GLN : amide:sc= -2! C(o=-2!,f=-2!) USER MOD Single : A 76 SER OG : rot 180:sc=-0.00175 USER MOD Single : A 81 SER OG : rot 89:sc= 0.945 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.62 K(o=-1.6,f=-13!) USER MOD Single : A 102 SER OG : rot 180:sc= -1.25 USER MOD Single : A 107 MET CE :methyl -117:sc= -8.19! (180deg=-12.7!) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 8 -1.461 -18.953 -6.307 1.00 0.00 N ATOM 116 CA PRO A 8 -0.733 -17.940 -5.562 1.00 0.00 C ATOM 117 C PRO A 8 -1.584 -16.683 -5.368 1.00 0.00 C ATOM 118 O PRO A 8 -1.103 -15.677 -4.850 1.00 0.00 O ATOM 119 CB PRO A 8 0.528 -17.685 -6.373 1.00 0.00 C ATOM 120 CG PRO A 8 0.241 -18.216 -7.768 1.00 0.00 C ATOM 121 CD PRO A 8 -1.009 -19.078 -7.690 1.00 0.00 C ATOM 0 HA PRO A 8 -0.482 -18.261 -4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.766 -16.622 -6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.386 -18.192 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.094 -17.393 -8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.085 -18.800 -8.136 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.772 -18.733 -8.388 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.791 -20.116 -7.943 1.00 0.00 H new ATOM 129 N GLN A 9 -2.834 -16.783 -5.796 1.00 0.00 N ATOM 130 CA GLN A 9 -3.757 -15.668 -5.677 1.00 0.00 C ATOM 131 C GLN A 9 -4.280 -15.563 -4.243 1.00 0.00 C ATOM 132 O GLN A 9 -4.445 -14.463 -3.717 1.00 0.00 O ATOM 133 CB GLN A 9 -4.911 -15.801 -6.673 1.00 0.00 C ATOM 134 CG GLN A 9 -5.028 -14.549 -7.546 1.00 0.00 C ATOM 135 CD GLN A 9 -3.789 -14.376 -8.425 1.00 0.00 C ATOM 136 OE1 GLN A 9 -3.653 -14.979 -9.477 1.00 0.00 O ATOM 137 NE2 GLN A 9 -2.897 -13.518 -7.940 1.00 0.00 N ATOM 0 H GLN A 9 -3.229 -17.620 -6.226 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.219 -14.750 -5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.753 -16.675 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.845 -15.962 -6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.916 -14.621 -8.174 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.155 -13.671 -6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.073 -13.047 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.037 -13.331 -8.455 1.00 0.00 H new ATOM 146 N ARG A 10 -4.527 -16.722 -3.651 1.00 0.00 N ATOM 147 CA ARG A 10 -5.029 -16.775 -2.289 1.00 0.00 C ATOM 148 C ARG A 10 -4.072 -16.047 -1.343 1.00 0.00 C ATOM 149 O ARG A 10 -4.469 -15.112 -0.650 1.00 0.00 O ATOM 150 CB ARG A 10 -5.198 -18.221 -1.819 1.00 0.00 C ATOM 151 CG ARG A 10 -6.030 -18.287 -0.537 1.00 0.00 C ATOM 152 CD ARG A 10 -5.132 -18.244 0.703 1.00 0.00 C ATOM 153 NE ARG A 10 -5.281 -19.495 1.479 1.00 0.00 N ATOM 154 CZ ARG A 10 -4.858 -19.649 2.752 1.00 0.00 C ATOM 155 NH1 ARG A 10 -4.257 -18.631 3.402 1.00 0.00 N ATOM 156 NH2 ARG A 10 -5.042 -20.812 3.350 1.00 0.00 N ATOM 0 H ARG A 10 -4.389 -17.632 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.003 -16.285 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.681 -18.807 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.219 -18.667 -1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.732 -17.453 -0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.622 -19.202 -0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.092 -18.113 0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.396 -17.388 1.324 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.731 -20.290 1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.119 -17.736 2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.941 -18.756 4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.497 -21.576 2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.729 -20.946 4.311 1.00 0.00 H new ATOM 169 N VAL A 11 -2.827 -16.505 -1.343 1.00 0.00 N ATOM 170 CA VAL A 11 -1.811 -15.910 -0.494 1.00 0.00 C ATOM 171 C VAL A 11 -1.647 -14.433 -0.860 1.00 0.00 C ATOM 172 O VAL A 11 -1.504 -13.584 0.019 1.00 0.00 O ATOM 173 CB VAL A 11 -0.506 -16.702 -0.603 1.00 0.00 C ATOM 174 CG1 VAL A 11 0.462 -16.031 -1.579 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.140 -16.889 0.771 1.00 0.00 C ATOM 0 H VAL A 11 -2.501 -17.281 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.115 -15.954 0.552 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.746 -17.690 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.381 -16.614 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.003 -15.976 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.692 -15.025 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.065 -17.455 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.359 -15.914 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.544 -17.432 1.424 1.00 0.00 H new ATOM 185 N ALA A 12 -1.671 -14.173 -2.158 1.00 0.00 N ATOM 186 CA ALA A 12 -1.527 -12.814 -2.652 1.00 0.00 C ATOM 187 C ALA A 12 -2.645 -11.944 -2.075 1.00 0.00 C ATOM 188 O ALA A 12 -2.425 -10.779 -1.750 1.00 0.00 O ATOM 189 CB ALA A 12 -1.527 -12.824 -4.182 1.00 0.00 C ATOM 0 H ALA A 12 -1.788 -14.880 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.578 -12.387 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.419 -11.805 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.696 -13.431 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.466 -13.244 -4.543 1.00 0.00 H new ATOM 195 N GLN A 13 -3.821 -12.545 -1.963 1.00 0.00 N ATOM 196 CA GLN A 13 -4.974 -11.839 -1.431 1.00 0.00 C ATOM 197 C GLN A 13 -4.817 -11.629 0.078 1.00 0.00 C ATOM 198 O GLN A 13 -4.707 -10.496 0.542 1.00 0.00 O ATOM 199 CB GLN A 13 -6.269 -12.587 -1.749 1.00 0.00 C ATOM 200 CG GLN A 13 -6.677 -12.380 -3.208 1.00 0.00 C ATOM 201 CD GLN A 13 -6.648 -10.897 -3.583 1.00 0.00 C ATOM 202 OE1 GLN A 13 -7.612 -10.169 -3.412 1.00 0.00 O ATOM 203 NE2 GLN A 13 -5.490 -10.493 -4.099 1.00 0.00 N ATOM 0 H GLN A 13 -4.000 -13.513 -2.232 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.031 -10.862 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.136 -13.651 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.066 -12.238 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.003 -12.936 -3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.678 -12.780 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.724 -11.156 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.368 -9.520 -4.379 1.00 0.00 H new ATOM 212 N GLU A 14 -4.813 -12.740 0.799 1.00 0.00 N ATOM 213 CA GLU A 14 -4.672 -12.693 2.244 1.00 0.00 C ATOM 214 C GLU A 14 -3.660 -11.617 2.644 1.00 0.00 C ATOM 215 O GLU A 14 -3.884 -10.872 3.597 1.00 0.00 O ATOM 216 CB GLU A 14 -4.267 -14.060 2.801 1.00 0.00 C ATOM 217 CG GLU A 14 -5.455 -14.748 3.479 1.00 0.00 C ATOM 218 CD GLU A 14 -5.681 -14.189 4.885 1.00 0.00 C ATOM 219 OE1 GLU A 14 -4.805 -14.317 5.753 1.00 0.00 O ATOM 220 OE2 GLU A 14 -6.817 -13.603 5.062 1.00 0.00 O ATOM 0 H GLU A 14 -4.905 -13.678 0.410 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.639 -12.434 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.890 -14.688 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.454 -13.939 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.353 -14.606 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.275 -15.822 3.535 1.00 0.00 H new ATOM 228 N MET A 15 -2.568 -11.570 1.896 1.00 0.00 N ATOM 229 CA MET A 15 -1.520 -10.598 2.160 1.00 0.00 C ATOM 230 C MET A 15 -1.943 -9.200 1.704 1.00 0.00 C ATOM 231 O MET A 15 -1.654 -8.210 2.376 1.00 0.00 O ATOM 232 CB MET A 15 -0.243 -11.010 1.426 1.00 0.00 C ATOM 233 CG MET A 15 0.852 -11.414 2.415 1.00 0.00 C ATOM 234 SD MET A 15 2.181 -10.224 2.371 1.00 0.00 S ATOM 235 CE MET A 15 3.411 -11.098 3.326 1.00 0.00 C ATOM 0 H MET A 15 -2.386 -12.190 1.106 1.00 0.00 H new ATOM 0 HA MET A 15 -1.338 -10.571 3.234 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.457 -11.842 0.755 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.108 -10.184 0.807 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.440 -11.474 3.422 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.231 -12.405 2.166 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.990 -10.385 3.913 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.918 -11.804 3.995 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.077 -11.639 2.654 1.00 0.00 H new ATOM 245 N GLN A 16 -2.620 -9.163 0.565 1.00 0.00 N ATOM 246 CA GLN A 16 -3.084 -7.903 0.012 1.00 0.00 C ATOM 247 C GLN A 16 -4.101 -7.252 0.953 1.00 0.00 C ATOM 248 O GLN A 16 -4.165 -6.028 1.055 1.00 0.00 O ATOM 249 CB GLN A 16 -3.679 -8.102 -1.383 1.00 0.00 C ATOM 250 CG GLN A 16 -3.964 -6.758 -2.056 1.00 0.00 C ATOM 251 CD GLN A 16 -5.465 -6.560 -2.271 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.297 -7.186 -1.636 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.764 -5.656 -3.200 1.00 0.00 N ATOM 0 H GLN A 16 -2.858 -9.986 0.011 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.228 -7.235 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.989 -8.681 -1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.601 -8.679 -1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.571 -5.949 -1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.446 -6.710 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.018 -5.167 -3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.739 -5.452 -3.417 1.00 0.00 H new ATOM 262 N LYS A 17 -4.872 -8.101 1.617 1.00 0.00 N ATOM 263 CA LYS A 17 -5.882 -7.625 2.545 1.00 0.00 C ATOM 264 C LYS A 17 -5.205 -7.171 3.841 1.00 0.00 C ATOM 265 O LYS A 17 -5.587 -6.156 4.422 1.00 0.00 O ATOM 266 CB LYS A 17 -6.961 -8.688 2.757 1.00 0.00 C ATOM 267 CG LYS A 17 -8.307 -8.046 3.095 1.00 0.00 C ATOM 268 CD LYS A 17 -8.490 -7.921 4.610 1.00 0.00 C ATOM 269 CE LYS A 17 -8.707 -9.293 5.250 1.00 0.00 C ATOM 270 NZ LYS A 17 -10.136 -9.495 5.573 1.00 0.00 N ATOM 0 H LYS A 17 -4.817 -9.116 1.530 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.398 -6.758 2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.060 -9.295 1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.662 -9.359 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.369 -7.060 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.115 -8.645 2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.612 -7.446 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.342 -7.276 4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.368 -10.075 4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.108 -9.376 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.265 -10.431 6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.449 -8.759 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.701 -9.436 4.702 1.00 0.00 H new ATOM 283 N GLU A 18 -4.213 -7.944 4.254 1.00 0.00 N ATOM 284 CA GLU A 18 -3.479 -7.636 5.470 1.00 0.00 C ATOM 285 C GLU A 18 -2.652 -6.361 5.281 1.00 0.00 C ATOM 286 O GLU A 18 -2.644 -5.488 6.146 1.00 0.00 O ATOM 287 CB GLU A 18 -2.591 -8.809 5.888 1.00 0.00 C ATOM 288 CG GLU A 18 -2.002 -8.582 7.281 1.00 0.00 C ATOM 289 CD GLU A 18 -3.057 -8.810 8.366 1.00 0.00 C ATOM 290 OE1 GLU A 18 -4.256 -8.616 8.116 1.00 0.00 O ATOM 291 OE2 GLU A 18 -2.593 -9.205 9.504 1.00 0.00 O ATOM 0 H GLU A 18 -3.899 -8.784 3.768 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.198 -7.465 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.173 -9.731 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.785 -8.935 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.161 -9.257 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.613 -7.566 7.354 1.00 0.00 H new ATOM 299 N ILE A 19 -1.975 -6.298 4.143 1.00 0.00 N ATOM 300 CA ILE A 19 -1.146 -5.146 3.830 1.00 0.00 C ATOM 301 C ILE A 19 -2.043 -3.936 3.565 1.00 0.00 C ATOM 302 O ILE A 19 -1.799 -2.852 4.094 1.00 0.00 O ATOM 303 CB ILE A 19 -0.194 -5.469 2.677 1.00 0.00 C ATOM 304 CG1 ILE A 19 -0.914 -5.380 1.329 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.472 -6.832 2.881 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.013 -5.868 0.194 1.00 0.00 C ATOM 0 H ILE A 19 -1.984 -7.025 3.428 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.509 -4.893 4.678 1.00 0.00 H new ATOM 0 HB ILE A 19 0.598 -4.721 2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.824 -5.979 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.216 -4.350 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.144 -7.037 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.040 -6.824 3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.293 -7.607 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.548 -5.794 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.885 -5.252 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.267 -6.906 0.373 1.00 0.00 H new ATOM 318 N ALA A 20 -3.062 -4.160 2.749 1.00 0.00 N ATOM 319 CA ALA A 20 -3.996 -3.101 2.407 1.00 0.00 C ATOM 320 C ALA A 20 -4.600 -2.527 3.691 1.00 0.00 C ATOM 321 O ALA A 20 -4.870 -1.330 3.774 1.00 0.00 O ATOM 322 CB ALA A 20 -5.061 -3.646 1.455 1.00 0.00 C ATOM 0 H ALA A 20 -3.262 -5.061 2.314 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.484 -2.289 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.761 -2.851 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.583 -4.015 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.599 -4.461 1.939 1.00 0.00 H new ATOM 328 N LEU A 21 -4.795 -3.408 4.660 1.00 0.00 N ATOM 329 CA LEU A 21 -5.363 -3.005 5.936 1.00 0.00 C ATOM 330 C LEU A 21 -4.376 -2.089 6.662 1.00 0.00 C ATOM 331 O LEU A 21 -4.700 -0.943 6.972 1.00 0.00 O ATOM 332 CB LEU A 21 -5.775 -4.233 6.751 1.00 0.00 C ATOM 333 CG LEU A 21 -6.150 -3.972 8.212 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.643 -4.218 8.446 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.278 -4.800 9.157 1.00 0.00 C ATOM 0 H LEU A 21 -4.570 -4.400 4.588 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.277 -2.432 5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.625 -4.704 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.955 -4.951 6.729 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.958 -2.922 8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.884 -4.026 9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.226 -3.551 7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.884 -5.253 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.565 -4.596 10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.416 -5.860 8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.231 -4.535 9.012 1.00 0.00 H new ATOM 347 N ILE A 22 -3.191 -2.627 6.911 1.00 0.00 N ATOM 348 CA ILE A 22 -2.155 -1.873 7.595 1.00 0.00 C ATOM 349 C ILE A 22 -1.834 -0.611 6.789 1.00 0.00 C ATOM 350 O ILE A 22 -1.346 0.374 7.340 1.00 0.00 O ATOM 351 CB ILE A 22 -0.937 -2.757 7.864 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.331 -4.010 8.646 1.00 0.00 C ATOM 353 CG2 ILE A 22 0.169 -1.969 8.567 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.158 -4.987 8.747 1.00 0.00 C ATOM 0 H ILE A 22 -2.926 -3.577 6.651 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.505 -1.547 8.575 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.538 -3.087 6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.662 -3.729 9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.174 -4.498 8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.023 -2.622 8.746 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.476 -1.133 7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.203 -1.589 9.518 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.466 -5.869 9.308 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.155 -5.285 7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.675 -4.504 9.259 1.00 0.00 H new ATOM 366 N LEU A 23 -2.120 -0.684 5.498 1.00 0.00 N ATOM 367 CA LEU A 23 -1.867 0.439 4.611 1.00 0.00 C ATOM 368 C LEU A 23 -3.071 1.383 4.635 1.00 0.00 C ATOM 369 O LEU A 23 -2.974 2.530 4.201 1.00 0.00 O ATOM 370 CB LEU A 23 -1.502 -0.056 3.210 1.00 0.00 C ATOM 371 CG LEU A 23 -0.648 0.891 2.365 1.00 0.00 C ATOM 372 CD1 LEU A 23 0.766 1.012 2.936 1.00 0.00 C ATOM 373 CD2 LEU A 23 -0.640 0.461 0.897 1.00 0.00 C ATOM 0 H LEU A 23 -2.525 -1.503 5.044 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.006 1.011 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.971 -1.003 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.425 -0.263 2.668 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.097 1.883 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.352 1.691 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.716 1.401 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.240 0.030 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.026 1.151 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.230 -0.546 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.659 0.470 0.510 1.00 0.00 H new ATOM 385 N GLN A 24 -4.179 0.865 5.146 1.00 0.00 N ATOM 386 CA GLN A 24 -5.400 1.647 5.234 1.00 0.00 C ATOM 387 C GLN A 24 -5.723 1.969 6.694 1.00 0.00 C ATOM 388 O GLN A 24 -6.617 2.765 6.975 1.00 0.00 O ATOM 389 CB GLN A 24 -6.565 0.920 4.562 1.00 0.00 C ATOM 390 CG GLN A 24 -6.642 1.265 3.073 1.00 0.00 C ATOM 391 CD GLN A 24 -6.994 0.029 2.241 1.00 0.00 C ATOM 392 OE1 GLN A 24 -6.161 -0.561 1.575 1.00 0.00 O ATOM 393 NE2 GLN A 24 -8.274 -0.328 2.318 1.00 0.00 N ATOM 0 H GLN A 24 -4.256 -0.087 5.503 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.245 2.586 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.445 -0.157 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.500 1.194 5.051 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.391 2.040 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.687 1.672 2.740 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.920 0.211 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.609 -1.140 1.800 1.00 0.00 H new ATOM 402 N ARG A 25 -4.977 1.332 7.585 1.00 0.00 N ATOM 403 CA ARG A 25 -5.173 1.539 9.009 1.00 0.00 C ATOM 404 C ARG A 25 -3.974 2.281 9.607 1.00 0.00 C ATOM 405 O ARG A 25 -4.128 3.365 10.165 1.00 0.00 O ATOM 406 CB ARG A 25 -5.357 0.208 9.740 1.00 0.00 C ATOM 407 CG ARG A 25 -6.835 -0.067 10.016 1.00 0.00 C ATOM 408 CD ARG A 25 -7.663 0.059 8.736 1.00 0.00 C ATOM 409 NE ARG A 25 -9.040 -0.435 8.972 1.00 0.00 N ATOM 410 CZ ARG A 25 -10.007 -0.456 8.033 1.00 0.00 C ATOM 411 NH1 ARG A 25 -9.760 -0.011 6.783 1.00 0.00 N ATOM 412 NH2 ARG A 25 -11.203 -0.918 8.354 1.00 0.00 N ATOM 0 H ARG A 25 -4.236 0.672 7.348 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.076 2.137 9.136 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.939 -0.601 9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.805 0.226 10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.951 -1.068 10.432 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.206 0.634 10.764 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.692 1.100 8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.196 -0.512 7.933 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.271 -0.781 9.903 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.835 0.345 6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.498 -0.031 6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.384 -1.252 9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.945 -0.941 7.655 1.00 0.00 H new ATOM 425 N GLU A 26 -2.809 1.664 9.470 1.00 0.00 N ATOM 426 CA GLU A 26 -1.587 2.252 9.990 1.00 0.00 C ATOM 427 C GLU A 26 -1.233 3.519 9.209 1.00 0.00 C ATOM 428 O GLU A 26 -0.361 4.283 9.621 1.00 0.00 O ATOM 429 CB GLU A 26 -0.435 1.245 9.951 1.00 0.00 C ATOM 430 CG GLU A 26 0.557 1.590 8.838 1.00 0.00 C ATOM 431 CD GLU A 26 1.567 2.638 9.309 1.00 0.00 C ATOM 432 OE1 GLU A 26 1.821 3.619 8.593 1.00 0.00 O ATOM 433 OE2 GLU A 26 2.093 2.409 10.464 1.00 0.00 O ATOM 0 H GLU A 26 -2.686 0.764 9.007 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.753 2.525 11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.079 1.238 10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.830 0.241 9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.083 0.689 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.017 1.965 7.968 1.00 0.00 H new ATOM 441 N ILE A 27 -1.928 3.702 8.096 1.00 0.00 N ATOM 442 CA ILE A 27 -1.699 4.865 7.254 1.00 0.00 C ATOM 443 C ILE A 27 -2.614 6.005 7.705 1.00 0.00 C ATOM 444 O ILE A 27 -3.395 5.845 8.641 1.00 0.00 O ATOM 445 CB ILE A 27 -1.856 4.495 5.777 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.767 5.153 4.928 1.00 0.00 C ATOM 447 CG2 ILE A 27 -3.260 4.838 5.274 1.00 0.00 C ATOM 448 CD1 ILE A 27 -1.142 5.138 3.445 1.00 0.00 C ATOM 0 H ILE A 27 -2.649 3.065 7.757 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.674 5.219 7.363 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.732 3.416 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.616 6.181 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.178 4.629 5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.346 4.566 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.999 4.285 5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.436 5.908 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.350 5.612 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.269 4.108 3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.074 5.684 3.300 1.00 0.00 H new ATOM 460 N LYS A 28 -2.488 7.129 7.015 1.00 0.00 N ATOM 461 CA LYS A 28 -3.294 8.296 7.333 1.00 0.00 C ATOM 462 C LYS A 28 -4.430 8.418 6.315 1.00 0.00 C ATOM 463 O LYS A 28 -4.404 9.294 5.451 1.00 0.00 O ATOM 464 CB LYS A 28 -2.416 9.545 7.426 1.00 0.00 C ATOM 465 CG LYS A 28 -1.522 9.681 6.192 1.00 0.00 C ATOM 466 CD LYS A 28 -0.046 9.541 6.568 1.00 0.00 C ATOM 467 CE LYS A 28 0.218 8.209 7.270 1.00 0.00 C ATOM 468 NZ LYS A 28 1.488 8.265 8.027 1.00 0.00 N ATOM 0 H LYS A 28 -1.840 7.257 6.237 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.755 8.185 8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.045 10.430 7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.799 9.494 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.788 8.919 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.691 10.649 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.569 9.611 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.246 10.364 7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.605 7.978 7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.261 7.406 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.652 7.352 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.273 8.464 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.433 9.018 8.742 1.00 0.00 H new ATOM 481 N ASP A 29 -5.400 7.525 6.449 1.00 0.00 N ATOM 482 CA ASP A 29 -6.543 7.521 5.552 1.00 0.00 C ATOM 483 C ASP A 29 -7.653 8.393 6.143 1.00 0.00 C ATOM 484 O ASP A 29 -8.124 9.328 5.496 1.00 0.00 O ATOM 485 CB ASP A 29 -7.098 6.107 5.373 1.00 0.00 C ATOM 486 CG ASP A 29 -8.609 5.973 5.577 1.00 0.00 C ATOM 487 OD1 ASP A 29 -9.396 6.790 5.073 1.00 0.00 O ATOM 488 OD2 ASP A 29 -8.975 4.970 6.297 1.00 0.00 O ATOM 0 H ASP A 29 -5.418 6.799 7.165 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.214 7.904 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.850 5.760 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.592 5.443 6.074 1.00 0.00 H new ATOM 494 N PRO A 30 -8.048 8.048 7.398 1.00 0.00 N ATOM 495 CA PRO A 30 -9.094 8.788 8.083 1.00 0.00 C ATOM 496 C PRO A 30 -8.574 10.138 8.580 1.00 0.00 C ATOM 497 O PRO A 30 -9.349 10.975 9.042 1.00 0.00 O ATOM 498 CB PRO A 30 -9.549 7.875 9.209 1.00 0.00 C ATOM 499 CG PRO A 30 -8.433 6.861 9.400 1.00 0.00 C ATOM 500 CD PRO A 30 -7.512 6.947 8.194 1.00 0.00 C ATOM 0 HA PRO A 30 -9.930 9.038 7.430 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.724 8.441 10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.487 7.381 8.956 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.881 7.069 10.317 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.843 5.856 9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.482 7.140 8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.510 6.014 7.630 1.00 0.00 H new ATOM 508 N ARG A 31 -7.264 10.309 8.470 1.00 0.00 N ATOM 509 CA ARG A 31 -6.630 11.544 8.904 1.00 0.00 C ATOM 510 C ARG A 31 -6.710 12.597 7.798 1.00 0.00 C ATOM 511 O ARG A 31 -7.018 13.758 8.063 1.00 0.00 O ATOM 512 CB ARG A 31 -5.164 11.310 9.272 1.00 0.00 C ATOM 513 CG ARG A 31 -4.388 12.627 9.290 1.00 0.00 C ATOM 514 CD ARG A 31 -2.889 12.378 9.473 1.00 0.00 C ATOM 515 NE ARG A 31 -2.255 13.551 10.114 1.00 0.00 N ATOM 516 CZ ARG A 31 -0.939 13.636 10.405 1.00 0.00 C ATOM 517 NH1 ARG A 31 -0.106 12.614 10.114 1.00 0.00 N ATOM 518 NH2 ARG A 31 -0.480 14.732 10.979 1.00 0.00 N ATOM 0 H ARG A 31 -6.624 9.613 8.087 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.162 11.898 9.787 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.102 10.834 10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.710 10.626 8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.560 13.167 8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.757 13.259 10.098 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.732 11.490 10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.423 12.186 8.506 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.849 14.345 10.351 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.469 11.770 9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.887 12.686 10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.117 15.499 11.196 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.511 14.812 11.205 1.00 0.00 H new ATOM 531 N LEU A 32 -6.428 12.155 6.581 1.00 0.00 N ATOM 532 CA LEU A 32 -6.464 13.045 5.433 1.00 0.00 C ATOM 533 C LEU A 32 -7.920 13.360 5.083 1.00 0.00 C ATOM 534 O LEU A 32 -8.206 14.384 4.465 1.00 0.00 O ATOM 535 CB LEU A 32 -5.665 12.453 4.271 1.00 0.00 C ATOM 536 CG LEU A 32 -4.199 12.880 4.178 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.413 12.416 5.406 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.567 12.389 2.874 1.00 0.00 C ATOM 0 H LEU A 32 -6.173 11.191 6.365 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.981 13.993 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.702 11.366 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.162 12.724 3.339 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.161 13.969 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.374 12.733 5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.848 12.855 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.456 11.329 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.525 12.706 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.617 11.301 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.108 12.810 2.026 1.00 0.00 H new ATOM 550 N GLY A 33 -8.801 12.461 5.493 1.00 0.00 N ATOM 551 CA GLY A 33 -10.220 12.630 5.230 1.00 0.00 C ATOM 552 C GLY A 33 -10.636 11.881 3.962 1.00 0.00 C ATOM 553 O GLY A 33 -11.716 12.117 3.423 1.00 0.00 O ATOM 0 H GLY A 33 -8.560 11.613 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.797 12.263 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.450 13.690 5.122 1.00 0.00 H new ATOM 557 N MET A 34 -9.756 10.993 3.521 1.00 0.00 N ATOM 558 CA MET A 34 -10.018 10.209 2.328 1.00 0.00 C ATOM 559 C MET A 34 -9.708 8.729 2.564 1.00 0.00 C ATOM 560 O MET A 34 -8.807 8.395 3.331 1.00 0.00 O ATOM 561 CB MET A 34 -9.159 10.731 1.175 1.00 0.00 C ATOM 562 CG MET A 34 -9.412 12.222 0.935 1.00 0.00 C ATOM 563 SD MET A 34 -8.315 13.198 1.950 1.00 0.00 S ATOM 564 CE MET A 34 -7.266 13.899 0.687 1.00 0.00 C ATOM 0 H MET A 34 -8.861 10.800 3.970 1.00 0.00 H new ATOM 0 HA MET A 34 -11.075 10.305 2.079 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.105 10.569 1.399 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.382 10.170 0.268 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.256 12.461 -0.117 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.449 12.465 1.167 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.727 14.754 1.095 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.552 13.148 0.349 1.00 0.00 H new ATOM 0 HE3 MET A 34 -7.877 14.224 -0.155 1.00 0.00 H new ATOM 574 N MET A 35 -10.474 7.881 1.891 1.00 0.00 N ATOM 575 CA MET A 35 -10.292 6.446 2.018 1.00 0.00 C ATOM 576 C MET A 35 -9.408 5.903 0.893 1.00 0.00 C ATOM 577 O MET A 35 -9.854 5.779 -0.245 1.00 0.00 O ATOM 578 CB MET A 35 -11.655 5.754 1.976 1.00 0.00 C ATOM 579 CG MET A 35 -11.796 4.753 3.125 1.00 0.00 C ATOM 580 SD MET A 35 -13.155 3.640 2.800 1.00 0.00 S ATOM 581 CE MET A 35 -12.707 2.283 3.871 1.00 0.00 C ATOM 0 H MET A 35 -11.222 8.162 1.256 1.00 0.00 H new ATOM 0 HA MET A 35 -9.801 6.243 2.970 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.448 6.500 2.039 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.776 5.239 1.023 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.871 4.187 3.241 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.965 5.283 4.062 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.455 1.494 3.791 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.734 1.892 3.575 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.659 2.634 4.902 1.00 0.00 H new ATOM 591 N THR A 36 -8.171 5.595 1.253 1.00 0.00 N ATOM 592 CA THR A 36 -7.220 5.068 0.288 1.00 0.00 C ATOM 593 C THR A 36 -7.692 3.710 -0.238 1.00 0.00 C ATOM 594 O THR A 36 -8.385 2.976 0.464 1.00 0.00 O ATOM 595 CB THR A 36 -5.846 5.017 0.958 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.045 4.184 2.097 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.432 6.365 1.550 1.00 0.00 C ATOM 0 H THR A 36 -7.805 5.700 2.199 1.00 0.00 H new ATOM 0 HA THR A 36 -7.146 5.712 -0.588 1.00 0.00 H new ATOM 0 HB THR A 36 -5.100 4.696 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.202 4.096 2.589 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.450 6.273 2.013 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.391 7.113 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.160 6.671 2.301 1.00 0.00 H new ATOM 605 N THR A 37 -7.295 3.418 -1.468 1.00 0.00 N ATOM 606 CA THR A 37 -7.668 2.162 -2.095 1.00 0.00 C ATOM 607 C THR A 37 -6.428 1.447 -2.637 1.00 0.00 C ATOM 608 O THR A 37 -5.383 2.068 -2.826 1.00 0.00 O ATOM 609 CB THR A 37 -8.713 2.463 -3.171 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.947 2.503 -2.457 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.891 1.305 -4.157 1.00 0.00 C ATOM 0 H THR A 37 -6.719 4.029 -2.047 1.00 0.00 H new ATOM 0 HA THR A 37 -8.111 1.476 -1.373 1.00 0.00 H new ATOM 0 HB THR A 37 -8.423 3.362 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.679 2.695 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.644 1.571 -4.899 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.944 1.104 -4.657 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.213 0.414 -3.618 1.00 0.00 H new ATOM 619 N VAL A 38 -6.586 0.152 -2.868 1.00 0.00 N ATOM 620 CA VAL A 38 -5.491 -0.654 -3.382 1.00 0.00 C ATOM 621 C VAL A 38 -5.925 -1.317 -4.691 1.00 0.00 C ATOM 622 O VAL A 38 -6.396 -2.453 -4.689 1.00 0.00 O ATOM 623 CB VAL A 38 -5.038 -1.661 -2.323 1.00 0.00 C ATOM 624 CG1 VAL A 38 -4.041 -2.661 -2.907 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.451 -0.947 -1.103 1.00 0.00 C ATOM 0 H VAL A 38 -7.454 -0.359 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.627 -0.028 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.915 -2.218 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.736 -3.365 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.509 -3.205 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.166 -2.128 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.137 -1.686 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.591 -0.351 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.207 -0.295 -0.665 1.00 0.00 H new ATOM 635 N SER A 39 -5.748 -0.580 -5.778 1.00 0.00 N ATOM 636 CA SER A 39 -6.115 -1.082 -7.091 1.00 0.00 C ATOM 637 C SER A 39 -4.906 -1.748 -7.752 1.00 0.00 C ATOM 638 O SER A 39 -4.798 -1.770 -8.977 1.00 0.00 O ATOM 639 CB SER A 39 -6.653 0.040 -7.979 1.00 0.00 C ATOM 640 OG SER A 39 -7.931 -0.280 -8.527 1.00 0.00 O ATOM 0 H SER A 39 -5.355 0.361 -5.776 1.00 0.00 H new ATOM 0 HA SER A 39 -6.907 -1.821 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.727 0.959 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.949 0.231 -8.789 1.00 0.00 H new ATOM 0 HG SER A 39 -8.242 0.462 -9.087 1.00 0.00 H new ATOM 646 N GLY A 40 -4.027 -2.276 -6.912 1.00 0.00 N ATOM 647 CA GLY A 40 -2.830 -2.940 -7.400 1.00 0.00 C ATOM 648 C GLY A 40 -2.000 -3.494 -6.241 1.00 0.00 C ATOM 649 O GLY A 40 -1.826 -2.827 -5.221 1.00 0.00 O ATOM 0 H GLY A 40 -4.120 -2.257 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.108 -3.751 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.230 -2.237 -7.978 1.00 0.00 H new ATOM 653 N VAL A 41 -1.508 -4.708 -6.435 1.00 0.00 N ATOM 654 CA VAL A 41 -0.700 -5.360 -5.418 1.00 0.00 C ATOM 655 C VAL A 41 0.293 -6.308 -6.093 1.00 0.00 C ATOM 656 O VAL A 41 -0.080 -7.079 -6.976 1.00 0.00 O ATOM 657 CB VAL A 41 -1.603 -6.064 -4.403 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.440 -7.154 -5.075 1.00 0.00 C ATOM 659 CG2 VAL A 41 -0.783 -6.639 -3.246 1.00 0.00 C ATOM 0 H VAL A 41 -1.653 -5.258 -7.282 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.120 -4.624 -4.861 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.287 -5.321 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.072 -7.638 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.066 -6.708 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.779 -7.894 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.449 -7.134 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.064 -7.361 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.252 -5.833 -2.741 1.00 0.00 H new ATOM 669 N GLU A 42 1.540 -6.220 -5.652 1.00 0.00 N ATOM 670 CA GLU A 42 2.590 -7.060 -6.201 1.00 0.00 C ATOM 671 C GLU A 42 3.524 -7.541 -5.089 1.00 0.00 C ATOM 672 O GLU A 42 4.128 -6.730 -4.389 1.00 0.00 O ATOM 673 CB GLU A 42 3.369 -6.322 -7.293 1.00 0.00 C ATOM 674 CG GLU A 42 2.467 -5.989 -8.481 1.00 0.00 C ATOM 675 CD GLU A 42 2.808 -4.616 -9.062 1.00 0.00 C ATOM 676 OE1 GLU A 42 3.179 -3.700 -8.312 1.00 0.00 O ATOM 677 OE2 GLU A 42 2.680 -4.517 -10.341 1.00 0.00 O ATOM 0 H GLU A 42 1.846 -5.579 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 42 2.126 -7.933 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.792 -5.404 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.204 -6.937 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.579 -6.752 -9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.424 -6.005 -8.166 1.00 0.00 H new ATOM 685 N MET A 43 3.612 -8.856 -4.961 1.00 0.00 N ATOM 686 CA MET A 43 4.462 -9.453 -3.945 1.00 0.00 C ATOM 687 C MET A 43 5.498 -10.387 -4.576 1.00 0.00 C ATOM 688 O MET A 43 5.166 -11.495 -4.992 1.00 0.00 O ATOM 689 CB MET A 43 3.601 -10.240 -2.956 1.00 0.00 C ATOM 690 CG MET A 43 2.128 -9.842 -3.075 1.00 0.00 C ATOM 691 SD MET A 43 1.223 -10.417 -1.647 1.00 0.00 S ATOM 692 CE MET A 43 0.404 -8.904 -1.170 1.00 0.00 C ATOM 0 H MET A 43 3.109 -9.525 -5.544 1.00 0.00 H new ATOM 0 HA MET A 43 4.990 -8.654 -3.425 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.709 -11.308 -3.144 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.950 -10.058 -1.939 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.041 -8.759 -3.159 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.700 -10.267 -3.983 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.408 -8.815 -0.084 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.928 -8.053 -1.606 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.625 -8.918 -1.529 1.00 0.00 H new ATOM 702 N SER A 44 6.731 -9.904 -4.625 1.00 0.00 N ATOM 703 CA SER A 44 7.816 -10.682 -5.199 1.00 0.00 C ATOM 704 C SER A 44 8.775 -11.132 -4.095 1.00 0.00 C ATOM 705 O SER A 44 9.547 -10.329 -3.573 1.00 0.00 O ATOM 706 CB SER A 44 8.567 -9.878 -6.261 1.00 0.00 C ATOM 707 OG SER A 44 8.008 -10.056 -7.560 1.00 0.00 O ATOM 0 H SER A 44 7.003 -8.984 -4.277 1.00 0.00 H new ATOM 0 HA SER A 44 7.390 -11.561 -5.683 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.544 -8.820 -5.998 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.614 -10.181 -6.272 1.00 0.00 H new ATOM 0 HG SER A 44 8.514 -9.525 -8.210 1.00 0.00 H new ATOM 713 N ARG A 45 8.698 -12.415 -3.775 1.00 0.00 N ATOM 714 CA ARG A 45 9.550 -12.982 -2.744 1.00 0.00 C ATOM 715 C ARG A 45 10.710 -13.753 -3.378 1.00 0.00 C ATOM 716 O ARG A 45 11.610 -14.213 -2.677 1.00 0.00 O ATOM 717 CB ARG A 45 8.760 -13.922 -1.831 1.00 0.00 C ATOM 718 CG ARG A 45 8.424 -13.243 -0.503 1.00 0.00 C ATOM 719 CD ARG A 45 6.910 -13.155 -0.299 1.00 0.00 C ATOM 720 NE ARG A 45 6.379 -14.469 0.129 1.00 0.00 N ATOM 721 CZ ARG A 45 5.066 -14.785 0.146 1.00 0.00 C ATOM 722 NH1 ARG A 45 4.139 -13.884 -0.241 1.00 0.00 N ATOM 723 NH2 ARG A 45 4.704 -15.990 0.548 1.00 0.00 N ATOM 0 H ARG A 45 8.058 -13.078 -4.212 1.00 0.00 H new ATOM 0 HA ARG A 45 9.940 -12.158 -2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.840 -14.230 -2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.340 -14.826 -1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.873 -13.801 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.856 -12.242 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.679 -12.399 0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.428 -12.843 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 45 7.046 -15.180 0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.428 -12.956 -0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.150 -14.131 -0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.412 -16.664 0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.717 -16.246 0.567 1.00 0.00 H new ATOM 736 N ASP A 46 10.651 -13.868 -4.696 1.00 0.00 N ATOM 737 CA ASP A 46 11.685 -14.575 -5.432 1.00 0.00 C ATOM 738 C ASP A 46 13.057 -14.065 -4.991 1.00 0.00 C ATOM 739 O ASP A 46 14.058 -14.767 -5.131 1.00 0.00 O ATOM 740 CB ASP A 46 11.552 -14.334 -6.937 1.00 0.00 C ATOM 741 CG ASP A 46 10.787 -15.416 -7.700 1.00 0.00 C ATOM 742 OD1 ASP A 46 9.939 -16.120 -7.132 1.00 0.00 O ATOM 743 OD2 ASP A 46 11.094 -15.525 -8.949 1.00 0.00 O ATOM 0 H ASP A 46 9.903 -13.484 -5.274 1.00 0.00 H new ATOM 0 HA ASP A 46 11.577 -15.640 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.052 -13.378 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.550 -14.246 -7.365 1.00 0.00 H new ATOM 749 N LEU A 47 13.061 -12.848 -4.467 1.00 0.00 N ATOM 750 CA LEU A 47 14.295 -12.236 -4.005 1.00 0.00 C ATOM 751 C LEU A 47 14.006 -11.393 -2.761 1.00 0.00 C ATOM 752 O LEU A 47 14.388 -11.765 -1.652 1.00 0.00 O ATOM 753 CB LEU A 47 14.962 -11.452 -5.136 1.00 0.00 C ATOM 754 CG LEU A 47 16.104 -12.166 -5.865 1.00 0.00 C ATOM 755 CD1 LEU A 47 16.151 -11.760 -7.339 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.439 -11.924 -5.161 1.00 0.00 C ATOM 0 H LEU A 47 12.229 -12.269 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 47 15.013 -13.002 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.199 -11.189 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.347 -10.518 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 47 15.913 -13.239 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.971 -12.281 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.209 -12.025 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.307 -10.684 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.233 -12.442 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.651 -10.855 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.386 -12.302 -4.140 1.00 0.00 H new ATOM 768 N ALA A 48 13.335 -10.274 -2.986 1.00 0.00 N ATOM 769 CA ALA A 48 12.991 -9.376 -1.897 1.00 0.00 C ATOM 770 C ALA A 48 12.422 -8.077 -2.473 1.00 0.00 C ATOM 771 O ALA A 48 13.091 -7.046 -2.466 1.00 0.00 O ATOM 772 CB ALA A 48 14.224 -9.135 -1.024 1.00 0.00 C ATOM 0 H ALA A 48 13.020 -9.968 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 48 12.224 -9.820 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.965 -8.461 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.572 -10.084 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.015 -8.688 -1.627 1.00 0.00 H new ATOM 778 N TYR A 49 11.194 -8.171 -2.959 1.00 0.00 N ATOM 779 CA TYR A 49 10.527 -7.017 -3.538 1.00 0.00 C ATOM 780 C TYR A 49 9.007 -7.143 -3.416 1.00 0.00 C ATOM 781 O TYR A 49 8.453 -8.227 -3.595 1.00 0.00 O ATOM 782 CB TYR A 49 10.909 -7.008 -5.020 1.00 0.00 C ATOM 783 CG TYR A 49 12.402 -7.219 -5.279 1.00 0.00 C ATOM 784 CD1 TYR A 49 13.316 -6.275 -4.855 1.00 0.00 C ATOM 785 CD2 TYR A 49 12.836 -8.353 -5.935 1.00 0.00 C ATOM 786 CE1 TYR A 49 14.722 -6.473 -5.099 1.00 0.00 C ATOM 787 CE2 TYR A 49 14.241 -8.551 -6.178 1.00 0.00 C ATOM 788 CZ TYR A 49 15.114 -7.601 -5.747 1.00 0.00 C ATOM 789 OH TYR A 49 16.442 -7.789 -5.978 1.00 0.00 O ATOM 0 H TYR A 49 10.642 -9.029 -2.964 1.00 0.00 H new ATOM 0 HA TYR A 49 10.826 -6.104 -3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 49 10.348 -7.788 -5.534 1.00 0.00 H new ATOM 0 HB3 TYR A 49 10.606 -6.057 -5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.977 -5.388 -4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.121 -9.092 -6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 49 15.448 -5.742 -4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.594 -9.434 -6.691 1.00 0.00 H new ATOM 0 HH TYR A 49 16.575 -8.638 -6.449 1.00 0.00 H new ATOM 799 N ALA A 50 8.375 -6.018 -3.113 1.00 0.00 N ATOM 800 CA ALA A 50 6.929 -5.989 -2.965 1.00 0.00 C ATOM 801 C ALA A 50 6.416 -4.587 -3.298 1.00 0.00 C ATOM 802 O ALA A 50 6.709 -3.629 -2.584 1.00 0.00 O ATOM 803 CB ALA A 50 6.553 -6.428 -1.548 1.00 0.00 C ATOM 0 H ALA A 50 8.837 -5.121 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 50 6.457 -6.686 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.469 -6.407 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.916 -7.441 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.006 -5.750 -0.825 1.00 0.00 H new ATOM 809 N LYS A 51 5.659 -4.512 -4.382 1.00 0.00 N ATOM 810 CA LYS A 51 5.101 -3.243 -4.818 1.00 0.00 C ATOM 811 C LYS A 51 3.585 -3.261 -4.617 1.00 0.00 C ATOM 812 O LYS A 51 2.887 -4.089 -5.198 1.00 0.00 O ATOM 813 CB LYS A 51 5.527 -2.935 -6.256 1.00 0.00 C ATOM 814 CG LYS A 51 6.385 -4.067 -6.826 1.00 0.00 C ATOM 815 CD LYS A 51 6.972 -3.677 -8.185 1.00 0.00 C ATOM 816 CE LYS A 51 8.167 -2.736 -8.016 1.00 0.00 C ATOM 817 NZ LYS A 51 8.310 -1.862 -9.202 1.00 0.00 N ATOM 0 H LYS A 51 5.419 -5.309 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 51 5.494 -2.427 -4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.644 -2.794 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.087 -2.000 -6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.191 -4.303 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.781 -4.968 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.283 -4.573 -8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.206 -3.193 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.034 -2.127 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.078 -3.317 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.125 -1.230 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.458 -2.447 -10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.447 -1.294 -9.321 1.00 0.00 H new ATOM 830 N VAL A 52 3.119 -2.335 -3.790 1.00 0.00 N ATOM 831 CA VAL A 52 1.698 -2.234 -3.504 1.00 0.00 C ATOM 832 C VAL A 52 1.188 -0.863 -3.952 1.00 0.00 C ATOM 833 O VAL A 52 1.775 0.163 -3.612 1.00 0.00 O ATOM 834 CB VAL A 52 1.441 -2.513 -2.022 1.00 0.00 C ATOM 835 CG1 VAL A 52 1.608 -1.240 -1.188 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.057 -3.128 -1.810 1.00 0.00 C ATOM 0 H VAL A 52 3.701 -1.649 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 52 1.142 -2.986 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 52 2.183 -3.236 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.420 -1.465 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.624 -0.861 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.899 -0.486 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.099 -3.316 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.706 -2.440 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.012 -4.067 -2.358 1.00 0.00 H new ATOM 846 N TYR A 53 0.100 -0.891 -4.708 1.00 0.00 N ATOM 847 CA TYR A 53 -0.496 0.339 -5.206 1.00 0.00 C ATOM 848 C TYR A 53 -1.422 0.962 -4.161 1.00 0.00 C ATOM 849 O TYR A 53 -2.004 0.254 -3.340 1.00 0.00 O ATOM 850 CB TYR A 53 -1.322 -0.060 -6.430 1.00 0.00 C ATOM 851 CG TYR A 53 -1.077 0.816 -7.660 1.00 0.00 C ATOM 852 CD1 TYR A 53 0.200 0.957 -8.164 1.00 0.00 C ATOM 853 CD2 TYR A 53 -2.133 1.467 -8.266 1.00 0.00 C ATOM 854 CE1 TYR A 53 0.431 1.780 -9.322 1.00 0.00 C ATOM 855 CE2 TYR A 53 -1.901 2.292 -9.422 1.00 0.00 C ATOM 856 CZ TYR A 53 -0.630 2.408 -9.894 1.00 0.00 C ATOM 857 OH TYR A 53 -0.413 3.187 -10.987 1.00 0.00 O ATOM 0 H TYR A 53 -0.384 -1.744 -4.988 1.00 0.00 H new ATOM 0 HA TYR A 53 0.276 1.072 -5.443 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.098 -1.096 -6.684 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.380 -0.017 -6.171 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.027 0.449 -7.689 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.133 1.357 -7.873 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.425 1.896 -9.727 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.718 2.808 -9.905 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.210 3.179 -11.557 1.00 0.00 H new ATOM 867 N VAL A 54 -1.531 2.282 -4.225 1.00 0.00 N ATOM 868 CA VAL A 54 -2.376 3.008 -3.294 1.00 0.00 C ATOM 869 C VAL A 54 -2.892 4.281 -3.967 1.00 0.00 C ATOM 870 O VAL A 54 -2.108 5.156 -4.333 1.00 0.00 O ATOM 871 CB VAL A 54 -1.611 3.285 -1.998 1.00 0.00 C ATOM 872 CG1 VAL A 54 -1.922 2.224 -0.940 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.105 3.375 -2.258 1.00 0.00 C ATOM 0 H VAL A 54 -1.048 2.866 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.245 2.409 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.943 4.249 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.366 2.444 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.990 2.229 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.632 1.242 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.415 3.572 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.249 2.433 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.095 4.183 -2.961 1.00 0.00 H new ATOM 883 N THR A 55 -4.207 4.345 -4.111 1.00 0.00 N ATOM 884 CA THR A 55 -4.837 5.497 -4.733 1.00 0.00 C ATOM 885 C THR A 55 -5.555 6.346 -3.682 1.00 0.00 C ATOM 886 O THR A 55 -6.382 5.838 -2.927 1.00 0.00 O ATOM 887 CB THR A 55 -5.763 4.989 -5.840 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.879 5.874 -5.792 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.362 3.617 -5.518 1.00 0.00 C ATOM 0 H THR A 55 -4.854 3.617 -3.807 1.00 0.00 H new ATOM 0 HA THR A 55 -4.096 6.156 -5.186 1.00 0.00 H new ATOM 0 HB THR A 55 -5.211 4.934 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.529 5.618 -6.479 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.011 3.302 -6.335 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.560 2.890 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.942 3.680 -4.598 1.00 0.00 H new ATOM 897 N PHE A 56 -5.213 7.626 -3.667 1.00 0.00 N ATOM 898 CA PHE A 56 -5.813 8.551 -2.721 1.00 0.00 C ATOM 899 C PHE A 56 -6.617 9.632 -3.447 1.00 0.00 C ATOM 900 O PHE A 56 -6.482 9.803 -4.658 1.00 0.00 O ATOM 901 CB PHE A 56 -4.668 9.212 -1.953 1.00 0.00 C ATOM 902 CG PHE A 56 -3.603 8.232 -1.456 1.00 0.00 C ATOM 903 CD1 PHE A 56 -2.761 7.637 -2.343 1.00 0.00 C ATOM 904 CD2 PHE A 56 -3.498 7.955 -0.129 1.00 0.00 C ATOM 905 CE1 PHE A 56 -1.773 6.727 -1.883 1.00 0.00 C ATOM 906 CE2 PHE A 56 -2.512 7.045 0.331 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.669 6.451 -0.556 1.00 0.00 C ATOM 0 H PHE A 56 -4.527 8.044 -4.296 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.492 8.016 -2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.193 9.953 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.080 9.749 -1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.844 7.857 -3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.166 8.428 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.104 6.254 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.431 6.824 1.385 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.917 5.760 -0.206 1.00 0.00 H new ATOM 917 N LEU A 57 -7.434 10.333 -2.676 1.00 0.00 N ATOM 918 CA LEU A 57 -8.260 11.394 -3.230 1.00 0.00 C ATOM 919 C LEU A 57 -7.660 12.751 -2.853 1.00 0.00 C ATOM 920 O LEU A 57 -8.376 13.746 -2.765 1.00 0.00 O ATOM 921 CB LEU A 57 -9.717 11.223 -2.793 1.00 0.00 C ATOM 922 CG LEU A 57 -10.729 12.159 -3.457 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.325 11.520 -4.713 1.00 0.00 C ATOM 924 CD2 LEU A 57 -11.811 12.587 -2.465 1.00 0.00 C ATOM 0 H LEU A 57 -7.542 10.188 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.270 11.340 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.017 10.194 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.772 11.367 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.205 13.061 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.041 12.206 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.528 11.305 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.831 10.593 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.518 13.252 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.338 11.706 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.350 13.109 -1.626 1.00 0.00 H new ATOM 936 N ASN A 58 -6.352 12.745 -2.641 1.00 0.00 N ATOM 937 CA ASN A 58 -5.648 13.963 -2.277 1.00 0.00 C ATOM 938 C ASN A 58 -5.605 14.903 -3.483 1.00 0.00 C ATOM 939 O ASN A 58 -5.603 16.122 -3.324 1.00 0.00 O ATOM 940 CB ASN A 58 -4.208 13.662 -1.859 1.00 0.00 C ATOM 941 CG ASN A 58 -4.042 13.769 -0.342 1.00 0.00 C ATOM 942 OD1 ASN A 58 -3.465 12.913 0.308 1.00 0.00 O ATOM 943 ND2 ASN A 58 -4.580 14.866 0.185 1.00 0.00 N ATOM 0 H ASN A 58 -5.762 11.916 -2.714 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.177 14.422 -1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.932 12.660 -2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.530 14.358 -2.352 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.523 15.030 1.190 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.049 15.543 -0.416 1.00 0.00 H new ATOM 950 N ASP A 59 -5.572 14.300 -4.661 1.00 0.00 N ATOM 951 CA ASP A 59 -5.527 15.068 -5.894 1.00 0.00 C ATOM 952 C ASP A 59 -6.423 16.300 -5.755 1.00 0.00 C ATOM 953 O ASP A 59 -6.042 17.400 -6.156 1.00 0.00 O ATOM 954 CB ASP A 59 -6.040 14.243 -7.076 1.00 0.00 C ATOM 955 CG ASP A 59 -6.529 15.062 -8.272 1.00 0.00 C ATOM 956 OD1 ASP A 59 -7.739 15.244 -8.470 1.00 0.00 O ATOM 957 OD2 ASP A 59 -5.596 15.529 -9.031 1.00 0.00 O ATOM 0 H ASP A 59 -5.575 13.288 -4.789 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.491 15.353 -6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.242 13.580 -7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.857 13.609 -6.730 1.00 0.00 H new ATOM 963 N LYS A 60 -7.598 16.076 -5.182 1.00 0.00 N ATOM 964 CA LYS A 60 -8.551 17.155 -4.984 1.00 0.00 C ATOM 965 C LYS A 60 -7.798 18.431 -4.602 1.00 0.00 C ATOM 966 O LYS A 60 -8.115 19.514 -5.093 1.00 0.00 O ATOM 967 CB LYS A 60 -9.622 16.744 -3.972 1.00 0.00 C ATOM 968 CG LYS A 60 -10.819 16.097 -4.670 1.00 0.00 C ATOM 969 CD LYS A 60 -12.116 16.834 -4.329 1.00 0.00 C ATOM 970 CE LYS A 60 -12.707 16.325 -3.014 1.00 0.00 C ATOM 971 NZ LYS A 60 -13.807 17.207 -2.564 1.00 0.00 N ATOM 0 H LYS A 60 -7.911 15.164 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.086 17.367 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.197 16.046 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.953 17.619 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.664 16.106 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.900 15.053 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.921 17.904 -4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.838 16.697 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.078 15.309 -3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.930 16.285 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.197 16.847 -1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.443 18.170 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.555 17.224 -3.286 1.00 0.00 H new ATOM 984 N ASP A 61 -6.818 18.262 -3.728 1.00 0.00 N ATOM 985 CA ASP A 61 -6.018 19.386 -3.274 1.00 0.00 C ATOM 986 C ASP A 61 -4.534 19.058 -3.453 1.00 0.00 C ATOM 987 O ASP A 61 -4.023 18.123 -2.834 1.00 0.00 O ATOM 988 CB ASP A 61 -6.263 19.673 -1.791 1.00 0.00 C ATOM 989 CG ASP A 61 -7.601 19.168 -1.248 1.00 0.00 C ATOM 990 OD1 ASP A 61 -7.753 17.978 -0.934 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.523 20.064 -1.148 1.00 0.00 O ATOM 0 H ASP A 61 -6.559 17.363 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.300 20.259 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.459 19.221 -1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.206 20.750 -1.630 1.00 0.00 H new ATOM 997 N GLU A 62 -3.884 19.840 -4.301 1.00 0.00 N ATOM 998 CA GLU A 62 -2.469 19.643 -4.568 1.00 0.00 C ATOM 999 C GLU A 62 -1.644 19.960 -3.319 1.00 0.00 C ATOM 1000 O GLU A 62 -0.499 19.526 -3.202 1.00 0.00 O ATOM 1001 CB GLU A 62 -2.013 20.494 -5.755 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.768 19.894 -6.411 1.00 0.00 C ATOM 1003 CD GLU A 62 -0.430 20.621 -7.714 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -1.332 20.909 -8.515 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.821 20.888 -7.883 1.00 0.00 O ATOM 0 H GLU A 62 -4.311 20.612 -4.813 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.310 18.597 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.817 20.564 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.799 21.509 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.076 19.959 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.933 18.836 -6.613 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.258 20.712 -2.418 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.594 21.091 -1.181 1.00 0.00 C ATOM 1015 C ASP A 63 -1.506 19.871 -0.260 1.00 0.00 C ATOM 1016 O ASP A 63 -0.466 19.624 0.349 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.376 22.180 -0.447 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.539 23.369 0.028 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -1.357 24.355 -0.703 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -1.056 23.254 1.218 1.00 0.00 O ATOM 0 H ASP A 63 -3.208 21.069 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.602 21.467 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.162 22.549 -1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.868 21.733 0.417 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.610 19.142 -0.190 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.669 17.955 0.646 1.00 0.00 C ATOM 1028 C ALA A 64 -2.006 16.787 -0.087 1.00 0.00 C ATOM 1029 O ALA A 64 -1.620 15.799 0.537 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.126 17.661 1.012 1.00 0.00 C ATOM 0 H ALA A 64 -3.470 19.350 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.124 18.113 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.171 16.771 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.543 18.509 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.703 17.494 0.102 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.894 16.939 -1.398 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.284 15.910 -2.221 1.00 0.00 C ATOM 1038 C VAL A 65 0.233 15.936 -2.021 1.00 0.00 C ATOM 1039 O VAL A 65 0.863 14.888 -1.888 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.698 16.094 -3.683 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.539 16.644 -4.516 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.224 14.784 -4.272 1.00 0.00 C ATOM 0 H VAL A 65 -2.216 17.760 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.635 14.923 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.507 16.824 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.860 16.765 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.230 17.610 -4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.300 15.949 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.511 14.942 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.444 14.024 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.092 14.451 -3.702 1.00 0.00 H new ATOM 1052 N LYS A 66 0.775 17.145 -2.010 1.00 0.00 N ATOM 1053 CA LYS A 66 2.206 17.322 -1.830 1.00 0.00 C ATOM 1054 C LYS A 66 2.565 17.075 -0.362 1.00 0.00 C ATOM 1055 O LYS A 66 3.455 16.281 -0.063 1.00 0.00 O ATOM 1056 CB LYS A 66 2.647 18.691 -2.349 1.00 0.00 C ATOM 1057 CG LYS A 66 3.895 18.571 -3.225 1.00 0.00 C ATOM 1058 CD LYS A 66 3.564 18.850 -4.692 1.00 0.00 C ATOM 1059 CE LYS A 66 3.496 17.550 -5.497 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.291 17.666 -6.740 1.00 0.00 N ATOM 0 H LYS A 66 0.249 18.012 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 66 2.757 16.591 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.838 19.144 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.851 19.354 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.655 19.273 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.317 17.571 -3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.611 19.374 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.320 19.508 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.871 16.723 -4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.459 17.321 -5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.233 16.775 -7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.915 18.442 -7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.284 17.862 -6.500 1.00 0.00 H new ATOM 1073 N ALA A 67 1.855 17.772 0.512 1.00 0.00 N ATOM 1074 CA ALA A 67 2.086 17.639 1.941 1.00 0.00 C ATOM 1075 C ALA A 67 1.770 16.207 2.373 1.00 0.00 C ATOM 1076 O ALA A 67 2.593 15.548 3.008 1.00 0.00 O ATOM 1077 CB ALA A 67 1.249 18.675 2.693 1.00 0.00 C ATOM 0 H ALA A 67 1.119 18.431 0.259 1.00 0.00 H new ATOM 0 HA ALA A 67 3.132 17.831 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.423 18.575 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.535 19.676 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.192 18.513 2.480 1.00 0.00 H new ATOM 1083 N GLY A 68 0.573 15.765 2.014 1.00 0.00 N ATOM 1084 CA GLY A 68 0.136 14.422 2.358 1.00 0.00 C ATOM 1085 C GLY A 68 1.144 13.377 1.875 1.00 0.00 C ATOM 1086 O GLY A 68 1.719 12.646 2.679 1.00 0.00 O ATOM 0 H GLY A 68 -0.108 16.313 1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.012 14.341 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.838 14.227 1.910 1.00 0.00 H new ATOM 1090 N ILE A 69 1.328 13.340 0.563 1.00 0.00 N ATOM 1091 CA ILE A 69 2.256 12.397 -0.037 1.00 0.00 C ATOM 1092 C ILE A 69 3.639 12.582 0.591 1.00 0.00 C ATOM 1093 O ILE A 69 4.414 11.631 0.684 1.00 0.00 O ATOM 1094 CB ILE A 69 2.249 12.535 -1.561 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.643 11.217 -2.230 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.139 13.695 -2.010 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.375 11.265 -3.735 1.00 0.00 C ATOM 0 H ILE A 69 0.850 13.948 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 69 1.946 11.372 0.168 1.00 0.00 H new ATOM 0 HB ILE A 69 1.233 12.768 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.699 11.016 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.082 10.396 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.116 13.771 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.773 14.624 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.163 13.517 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.664 10.316 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.314 11.442 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.956 12.071 -4.183 1.00 0.00 H new ATOM 1109 N LYS A 70 3.907 13.811 1.007 1.00 0.00 N ATOM 1110 CA LYS A 70 5.184 14.132 1.623 1.00 0.00 C ATOM 1111 C LYS A 70 5.275 13.440 2.985 1.00 0.00 C ATOM 1112 O LYS A 70 6.359 13.055 3.419 1.00 0.00 O ATOM 1113 CB LYS A 70 5.382 15.647 1.689 1.00 0.00 C ATOM 1114 CG LYS A 70 6.558 16.008 2.599 1.00 0.00 C ATOM 1115 CD LYS A 70 6.659 17.523 2.787 1.00 0.00 C ATOM 1116 CE LYS A 70 7.665 18.130 1.807 1.00 0.00 C ATOM 1117 NZ LYS A 70 7.083 18.207 0.448 1.00 0.00 N ATOM 0 H LYS A 70 3.262 14.597 0.930 1.00 0.00 H new ATOM 0 HA LYS A 70 6.006 13.753 1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.560 16.038 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.473 16.120 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.434 15.525 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.485 15.628 2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.680 17.978 2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.962 17.747 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.953 19.126 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.572 17.526 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.588 18.928 -0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.174 17.283 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.078 18.464 0.515 1.00 0.00 H new ATOM 1130 N ALA A 71 4.121 13.304 3.623 1.00 0.00 N ATOM 1131 CA ALA A 71 4.057 12.666 4.927 1.00 0.00 C ATOM 1132 C ALA A 71 4.024 11.147 4.745 1.00 0.00 C ATOM 1133 O ALA A 71 4.742 10.421 5.430 1.00 0.00 O ATOM 1134 CB ALA A 71 2.840 13.189 5.692 1.00 0.00 C ATOM 0 H ALA A 71 3.223 13.625 3.261 1.00 0.00 H new ATOM 0 HA ALA A 71 4.941 12.908 5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.792 12.710 6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.927 14.268 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.933 12.962 5.132 1.00 0.00 H new ATOM 1140 N LEU A 72 3.183 10.712 3.819 1.00 0.00 N ATOM 1141 CA LEU A 72 3.045 9.293 3.539 1.00 0.00 C ATOM 1142 C LEU A 72 4.421 8.708 3.211 1.00 0.00 C ATOM 1143 O LEU A 72 4.717 7.569 3.571 1.00 0.00 O ATOM 1144 CB LEU A 72 2.002 9.060 2.444 1.00 0.00 C ATOM 1145 CG LEU A 72 1.785 7.606 2.022 1.00 0.00 C ATOM 1146 CD1 LEU A 72 1.550 6.710 3.240 1.00 0.00 C ATOM 1147 CD2 LEU A 72 0.651 7.495 1.001 1.00 0.00 C ATOM 0 H LEU A 72 2.590 11.318 3.252 1.00 0.00 H new ATOM 0 HA LEU A 72 2.673 8.766 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.049 9.464 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.294 9.633 1.564 1.00 0.00 H new ATOM 0 HG LEU A 72 2.693 7.253 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.399 5.682 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.417 6.757 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.667 7.053 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.517 6.451 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.272 7.873 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.899 8.082 0.117 1.00 0.00 H new ATOM 1159 N GLN A 73 5.226 9.513 2.532 1.00 0.00 N ATOM 1160 CA GLN A 73 6.561 9.089 2.152 1.00 0.00 C ATOM 1161 C GLN A 73 7.504 9.158 3.355 1.00 0.00 C ATOM 1162 O GLN A 73 8.240 8.212 3.628 1.00 0.00 O ATOM 1163 CB GLN A 73 7.093 9.930 0.990 1.00 0.00 C ATOM 1164 CG GLN A 73 7.229 11.400 1.394 1.00 0.00 C ATOM 1165 CD GLN A 73 7.692 12.254 0.211 1.00 0.00 C ATOM 1166 OE1 GLN A 73 7.055 12.320 -0.827 1.00 0.00 O ATOM 1167 NE2 GLN A 73 8.836 12.899 0.426 1.00 0.00 N ATOM 0 H GLN A 73 4.978 10.457 2.236 1.00 0.00 H new ATOM 0 HA GLN A 73 6.509 8.054 1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.062 9.545 0.672 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.420 9.844 0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.272 11.770 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.942 11.491 2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.318 12.799 1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.231 13.493 -0.303 1.00 0.00 H new ATOM 1176 N GLU A 74 7.448 10.289 4.043 1.00 0.00 N ATOM 1177 CA GLU A 74 8.288 10.495 5.212 1.00 0.00 C ATOM 1178 C GLU A 74 8.092 9.354 6.213 1.00 0.00 C ATOM 1179 O GLU A 74 8.949 9.116 7.063 1.00 0.00 O ATOM 1180 CB GLU A 74 8.000 11.849 5.863 1.00 0.00 C ATOM 1181 CG GLU A 74 7.123 11.686 7.106 1.00 0.00 C ATOM 1182 CD GLU A 74 6.809 13.043 7.737 1.00 0.00 C ATOM 1183 OE1 GLU A 74 6.254 13.926 7.065 1.00 0.00 O ATOM 1184 OE2 GLU A 74 7.158 13.165 8.972 1.00 0.00 O ATOM 0 H GLU A 74 6.835 11.072 3.814 1.00 0.00 H new ATOM 0 HA GLU A 74 9.330 10.497 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.938 12.332 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.503 12.502 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.194 11.183 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.630 11.052 7.833 1.00 0.00 H new ATOM 1192 N ALA A 75 6.961 8.678 6.079 1.00 0.00 N ATOM 1193 CA ALA A 75 6.642 7.568 6.960 1.00 0.00 C ATOM 1194 C ALA A 75 6.710 6.260 6.171 1.00 0.00 C ATOM 1195 O ALA A 75 6.181 5.239 6.608 1.00 0.00 O ATOM 1196 CB ALA A 75 5.269 7.797 7.595 1.00 0.00 C ATOM 0 H ALA A 75 6.253 8.878 5.372 1.00 0.00 H new ATOM 0 HA ALA A 75 7.368 7.501 7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.030 6.964 8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.284 8.723 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.513 7.867 6.813 1.00 0.00 H new ATOM 1202 N SER A 76 7.363 6.333 5.021 1.00 0.00 N ATOM 1203 CA SER A 76 7.505 5.166 4.165 1.00 0.00 C ATOM 1204 C SER A 76 8.143 4.018 4.949 1.00 0.00 C ATOM 1205 O SER A 76 7.474 3.040 5.280 1.00 0.00 O ATOM 1206 CB SER A 76 8.340 5.492 2.925 1.00 0.00 C ATOM 1207 OG SER A 76 8.504 4.358 2.079 1.00 0.00 O ATOM 0 H SER A 76 7.800 7.182 4.661 1.00 0.00 H new ATOM 0 HA SER A 76 6.513 4.862 3.832 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.860 6.295 2.366 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.319 5.859 3.233 1.00 0.00 H new ATOM 0 HG SER A 76 9.041 4.607 1.298 1.00 0.00 H new ATOM 1213 N GLY A 77 9.430 4.173 5.223 1.00 0.00 N ATOM 1214 CA GLY A 77 10.165 3.162 5.962 1.00 0.00 C ATOM 1215 C GLY A 77 9.390 2.717 7.204 1.00 0.00 C ATOM 1216 O GLY A 77 9.634 1.635 7.737 1.00 0.00 O ATOM 0 H GLY A 77 9.982 4.984 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.353 2.302 5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.137 3.558 6.258 1.00 0.00 H new ATOM 1220 N PHE A 78 8.473 3.573 7.628 1.00 0.00 N ATOM 1221 CA PHE A 78 7.661 3.284 8.796 1.00 0.00 C ATOM 1222 C PHE A 78 6.587 2.241 8.472 1.00 0.00 C ATOM 1223 O PHE A 78 6.368 1.311 9.246 1.00 0.00 O ATOM 1224 CB PHE A 78 6.979 4.591 9.204 1.00 0.00 C ATOM 1225 CG PHE A 78 7.340 5.068 10.613 1.00 0.00 C ATOM 1226 CD1 PHE A 78 8.546 5.653 10.843 1.00 0.00 C ATOM 1227 CD2 PHE A 78 6.456 4.907 11.633 1.00 0.00 C ATOM 1228 CE1 PHE A 78 8.881 6.096 12.150 1.00 0.00 C ATOM 1229 CE2 PHE A 78 6.792 5.349 12.939 1.00 0.00 C ATOM 1230 CZ PHE A 78 7.996 5.934 13.171 1.00 0.00 C ATOM 0 H PHE A 78 8.274 4.469 7.182 1.00 0.00 H new ATOM 0 HA PHE A 78 8.287 2.887 9.595 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.248 5.368 8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.899 4.460 9.141 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.248 5.781 10.032 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.498 4.443 11.450 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.838 6.561 12.334 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.090 5.220 13.749 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.251 6.270 14.165 1.00 0.00 H new ATOM 1240 N ILE A 79 5.948 2.434 7.328 1.00 0.00 N ATOM 1241 CA ILE A 79 4.902 1.523 6.893 1.00 0.00 C ATOM 1242 C ILE A 79 5.531 0.185 6.498 1.00 0.00 C ATOM 1243 O ILE A 79 4.985 -0.875 6.802 1.00 0.00 O ATOM 1244 CB ILE A 79 4.064 2.161 5.784 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.958 2.726 4.677 1.00 0.00 C ATOM 1246 CG2 ILE A 79 3.117 3.218 6.351 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.152 2.997 3.405 1.00 0.00 C ATOM 0 H ILE A 79 6.134 3.207 6.689 1.00 0.00 H new ATOM 0 HA ILE A 79 4.207 1.321 7.708 1.00 0.00 H new ATOM 0 HB ILE A 79 3.446 1.384 5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.426 3.649 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.762 2.023 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.533 3.656 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.445 2.755 7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.696 3.999 6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.811 3.398 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.705 2.067 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.364 3.719 3.620 1.00 0.00 H new ATOM 1259 N ARG A 80 6.669 0.277 5.828 1.00 0.00 N ATOM 1260 CA ARG A 80 7.377 -0.914 5.387 1.00 0.00 C ATOM 1261 C ARG A 80 7.899 -1.696 6.594 1.00 0.00 C ATOM 1262 O ARG A 80 7.733 -2.913 6.671 1.00 0.00 O ATOM 1263 CB ARG A 80 8.551 -0.552 4.476 1.00 0.00 C ATOM 1264 CG ARG A 80 9.532 -1.719 4.355 1.00 0.00 C ATOM 1265 CD ARG A 80 10.416 -1.566 3.116 1.00 0.00 C ATOM 1266 NE ARG A 80 11.630 -0.789 3.454 1.00 0.00 N ATOM 1267 CZ ARG A 80 11.686 0.559 3.469 1.00 0.00 C ATOM 1268 NH1 ARG A 80 10.594 1.293 3.164 1.00 0.00 N ATOM 1269 NH2 ARG A 80 12.823 1.150 3.784 1.00 0.00 N ATOM 0 H ARG A 80 7.120 1.158 5.579 1.00 0.00 H new ATOM 0 HA ARG A 80 6.674 -1.530 4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.179 -0.281 3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.067 0.322 4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.156 -1.768 5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.981 -2.658 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.697 -2.548 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.862 -1.064 2.323 1.00 0.00 H new ATOM 0 HE ARG A 80 12.477 -1.305 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.719 0.829 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.644 2.312 3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.644 0.589 4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.881 2.168 3.800 1.00 0.00 H new ATOM 1282 N SER A 81 8.522 -0.965 7.509 1.00 0.00 N ATOM 1283 CA SER A 81 9.070 -1.575 8.708 1.00 0.00 C ATOM 1284 C SER A 81 7.936 -2.011 9.639 1.00 0.00 C ATOM 1285 O SER A 81 8.060 -3.009 10.348 1.00 0.00 O ATOM 1286 CB SER A 81 10.013 -0.614 9.434 1.00 0.00 C ATOM 1287 OG SER A 81 11.180 -0.330 8.668 1.00 0.00 O ATOM 0 H SER A 81 8.659 0.044 7.443 1.00 0.00 H new ATOM 0 HA SER A 81 9.646 -2.452 8.412 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.487 0.316 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.304 -1.046 10.391 1.00 0.00 H new ATOM 0 HG SER A 81 11.009 0.438 8.083 1.00 0.00 H new ATOM 1293 N LEU A 82 6.858 -1.241 9.606 1.00 0.00 N ATOM 1294 CA LEU A 82 5.704 -1.536 10.439 1.00 0.00 C ATOM 1295 C LEU A 82 5.067 -2.847 9.974 1.00 0.00 C ATOM 1296 O LEU A 82 4.552 -3.613 10.788 1.00 0.00 O ATOM 1297 CB LEU A 82 4.736 -0.352 10.449 1.00 0.00 C ATOM 1298 CG LEU A 82 3.418 -0.569 11.195 1.00 0.00 C ATOM 1299 CD1 LEU A 82 3.108 0.611 12.116 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.274 -0.849 10.218 1.00 0.00 C ATOM 0 H LEU A 82 6.759 -0.414 9.016 1.00 0.00 H new ATOM 0 HA LEU A 82 6.008 -1.679 11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.245 0.504 10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.507 -0.087 9.417 1.00 0.00 H new ATOM 0 HG LEU A 82 3.525 -1.451 11.827 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.166 0.431 12.634 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.909 0.722 12.847 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.028 1.523 11.524 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.349 -0.999 10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.157 -0.002 9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.500 -1.745 9.641 1.00 0.00 H new ATOM 1312 N LEU A 83 5.123 -3.065 8.669 1.00 0.00 N ATOM 1313 CA LEU A 83 4.557 -4.270 8.086 1.00 0.00 C ATOM 1314 C LEU A 83 5.404 -5.475 8.499 1.00 0.00 C ATOM 1315 O LEU A 83 4.890 -6.430 9.081 1.00 0.00 O ATOM 1316 CB LEU A 83 4.407 -4.114 6.572 1.00 0.00 C ATOM 1317 CG LEU A 83 3.356 -3.105 6.104 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.733 -2.513 4.743 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.960 -3.733 6.087 1.00 0.00 C ATOM 0 H LEU A 83 5.552 -2.428 7.998 1.00 0.00 H new ATOM 0 HA LEU A 83 3.550 -4.441 8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.372 -3.821 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.161 -5.088 6.149 1.00 0.00 H new ATOM 0 HG LEU A 83 3.331 -2.283 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.970 -1.799 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.695 -2.006 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.803 -3.312 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.233 -2.994 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.953 -4.585 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.699 -4.068 7.091 1.00 0.00 H new ATOM 1331 N GLY A 84 6.688 -5.395 8.180 1.00 0.00 N ATOM 1332 CA GLY A 84 7.611 -6.466 8.510 1.00 0.00 C ATOM 1333 C GLY A 84 7.441 -6.909 9.965 1.00 0.00 C ATOM 1334 O GLY A 84 7.306 -8.098 10.246 1.00 0.00 O ATOM 0 H GLY A 84 7.111 -4.603 7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.442 -7.314 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.635 -6.132 8.345 1.00 0.00 H new ATOM 1338 N LYS A 85 7.453 -5.924 10.853 1.00 0.00 N ATOM 1339 CA LYS A 85 7.301 -6.196 12.274 1.00 0.00 C ATOM 1340 C LYS A 85 5.868 -6.655 12.551 1.00 0.00 C ATOM 1341 O LYS A 85 5.649 -7.584 13.325 1.00 0.00 O ATOM 1342 CB LYS A 85 7.730 -4.982 13.100 1.00 0.00 C ATOM 1343 CG LYS A 85 9.121 -5.193 13.705 1.00 0.00 C ATOM 1344 CD LYS A 85 9.295 -4.366 14.979 1.00 0.00 C ATOM 1345 CE LYS A 85 9.389 -2.872 14.654 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.774 -2.508 14.287 1.00 0.00 N ATOM 0 H LYS A 85 7.565 -4.938 10.617 1.00 0.00 H new ATOM 0 HA LYS A 85 7.960 -7.009 12.579 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.735 -4.092 12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.006 -4.805 13.896 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.267 -6.249 13.930 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.884 -4.913 12.978 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.455 -4.544 15.650 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.195 -4.685 15.504 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.713 -2.629 13.834 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.069 -2.286 15.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.820 -1.492 14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.411 -2.721 15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.067 -3.054 13.452 1.00 0.00 H new ATOM 1359 N ALA A 86 4.929 -5.980 11.904 1.00 0.00 N ATOM 1360 CA ALA A 86 3.524 -6.305 12.071 1.00 0.00 C ATOM 1361 C ALA A 86 3.283 -7.749 11.625 1.00 0.00 C ATOM 1362 O ALA A 86 2.401 -8.427 12.153 1.00 0.00 O ATOM 1363 CB ALA A 86 2.670 -5.304 11.290 1.00 0.00 C ATOM 0 H ALA A 86 5.115 -5.209 11.263 1.00 0.00 H new ATOM 0 HA ALA A 86 3.236 -6.230 13.119 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.615 -5.549 11.416 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.856 -4.297 11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.930 -5.352 10.232 1.00 0.00 H new ATOM 1369 N MET A 87 4.081 -8.177 10.657 1.00 0.00 N ATOM 1370 CA MET A 87 3.966 -9.527 10.135 1.00 0.00 C ATOM 1371 C MET A 87 5.178 -10.374 10.528 1.00 0.00 C ATOM 1372 O MET A 87 5.372 -11.467 10.002 1.00 0.00 O ATOM 1373 CB MET A 87 3.850 -9.477 8.610 1.00 0.00 C ATOM 1374 CG MET A 87 2.685 -10.339 8.119 1.00 0.00 C ATOM 1375 SD MET A 87 2.864 -10.672 6.375 1.00 0.00 S ATOM 1376 CE MET A 87 2.243 -9.139 5.702 1.00 0.00 C ATOM 0 H MET A 87 4.810 -7.612 10.221 1.00 0.00 H new ATOM 0 HA MET A 87 3.074 -9.986 10.561 1.00 0.00 H new ATOM 0 HB2 MET A 87 3.706 -8.446 8.287 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.780 -9.825 8.160 1.00 0.00 H new ATOM 0 HG2 MET A 87 2.656 -11.276 8.675 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.740 -9.828 8.305 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.390 -9.345 5.056 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.933 -8.484 6.516 1.00 0.00 H new ATOM 0 HE3 MET A 87 3.027 -8.652 5.123 1.00 0.00 H new ATOM 1386 N ARG A 88 5.963 -9.834 11.449 1.00 0.00 N ATOM 1387 CA ARG A 88 7.151 -10.525 11.918 1.00 0.00 C ATOM 1388 C ARG A 88 7.632 -11.527 10.867 1.00 0.00 C ATOM 1389 O ARG A 88 7.418 -12.730 11.007 1.00 0.00 O ATOM 1390 CB ARG A 88 6.879 -11.263 13.229 1.00 0.00 C ATOM 1391 CG ARG A 88 7.046 -10.329 14.430 1.00 0.00 C ATOM 1392 CD ARG A 88 7.125 -11.124 15.735 1.00 0.00 C ATOM 1393 NE ARG A 88 5.967 -10.797 16.596 1.00 0.00 N ATOM 1394 CZ ARG A 88 5.949 -10.968 17.935 1.00 0.00 C ATOM 1395 NH1 ARG A 88 7.026 -11.465 18.579 1.00 0.00 N ATOM 1396 NH2 ARG A 88 4.859 -10.643 18.607 1.00 0.00 N ATOM 0 H ARG A 88 5.799 -8.926 11.883 1.00 0.00 H new ATOM 0 HA ARG A 88 7.923 -9.775 12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.868 -11.670 13.218 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.561 -12.108 13.323 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.950 -9.732 14.308 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.208 -9.633 14.474 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.139 -12.192 15.520 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.054 -10.892 16.256 1.00 0.00 H new ATOM 0 HE ARG A 88 5.131 -10.419 16.150 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.864 -11.715 18.054 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.002 -11.590 19.591 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.048 -10.269 18.114 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.828 -10.766 19.619 1.00 0.00 H new ATOM 1409 N LEU A 89 8.274 -10.994 9.836 1.00 0.00 N ATOM 1410 CA LEU A 89 8.787 -11.828 8.763 1.00 0.00 C ATOM 1411 C LEU A 89 10.289 -11.583 8.605 1.00 0.00 C ATOM 1412 O LEU A 89 10.878 -10.814 9.363 1.00 0.00 O ATOM 1413 CB LEU A 89 7.988 -11.597 7.478 1.00 0.00 C ATOM 1414 CG LEU A 89 7.050 -12.730 7.059 1.00 0.00 C ATOM 1415 CD1 LEU A 89 5.768 -12.176 6.433 1.00 0.00 C ATOM 1416 CD2 LEU A 89 7.762 -13.716 6.131 1.00 0.00 C ATOM 0 H LEU A 89 8.450 -9.996 9.722 1.00 0.00 H new ATOM 0 HA LEU A 89 8.660 -12.883 9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.397 -10.689 7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.690 -11.414 6.665 1.00 0.00 H new ATOM 0 HG LEU A 89 6.760 -13.282 7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.118 -13.002 6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.253 -11.545 7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.019 -11.586 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.073 -14.512 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.101 -13.194 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.621 -14.146 6.647 1.00 0.00 H new ATOM 1428 N ARG A 90 10.865 -12.252 7.619 1.00 0.00 N ATOM 1429 CA ARG A 90 12.288 -12.117 7.353 1.00 0.00 C ATOM 1430 C ARG A 90 12.515 -11.621 5.923 1.00 0.00 C ATOM 1431 O ARG A 90 13.383 -10.783 5.686 1.00 0.00 O ATOM 1432 CB ARG A 90 13.012 -13.451 7.544 1.00 0.00 C ATOM 1433 CG ARG A 90 12.729 -14.401 6.379 1.00 0.00 C ATOM 1434 CD ARG A 90 13.269 -15.802 6.671 1.00 0.00 C ATOM 1435 NE ARG A 90 14.632 -15.946 6.113 1.00 0.00 N ATOM 1436 CZ ARG A 90 15.759 -15.598 6.769 1.00 0.00 C ATOM 1437 NH1 ARG A 90 15.694 -15.081 8.014 1.00 0.00 N ATOM 1438 NH2 ARG A 90 16.925 -15.770 6.175 1.00 0.00 N ATOM 0 H ARG A 90 10.373 -12.890 6.993 1.00 0.00 H new ATOM 0 HA ARG A 90 12.692 -11.393 8.061 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.085 -13.278 7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.693 -13.911 8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.655 -14.451 6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.187 -14.013 5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.287 -15.977 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.608 -16.553 6.237 1.00 0.00 H new ATOM 0 HE ARG A 90 14.726 -16.332 5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.789 -14.951 8.466 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.550 -14.820 8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.965 -16.161 5.234 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.786 -15.512 6.657 1.00 0.00 H new ATOM 1451 N ILE A 91 11.721 -12.159 5.011 1.00 0.00 N ATOM 1452 CA ILE A 91 11.825 -11.782 3.612 1.00 0.00 C ATOM 1453 C ILE A 91 12.106 -10.282 3.513 1.00 0.00 C ATOM 1454 O ILE A 91 12.810 -9.836 2.607 1.00 0.00 O ATOM 1455 CB ILE A 91 10.580 -12.226 2.842 1.00 0.00 C ATOM 1456 CG1 ILE A 91 9.307 -11.908 3.629 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.666 -13.707 2.466 1.00 0.00 C ATOM 1458 CD1 ILE A 91 8.227 -11.327 2.713 1.00 0.00 C ATOM 0 H ILE A 91 11.002 -12.854 5.213 1.00 0.00 H new ATOM 0 HA ILE A 91 12.662 -12.296 3.141 1.00 0.00 H new ATOM 0 HB ILE A 91 10.534 -11.660 1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.935 -12.814 4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.535 -11.198 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.768 -13.996 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.542 -13.873 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.749 -14.308 3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.333 -11.110 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.594 -10.408 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.984 -12.049 1.933 1.00 0.00 H new ATOM 1470 N VAL A 92 11.541 -9.542 4.456 1.00 0.00 N ATOM 1471 CA VAL A 92 11.722 -8.101 4.485 1.00 0.00 C ATOM 1472 C VAL A 92 12.041 -7.601 3.075 1.00 0.00 C ATOM 1473 O VAL A 92 13.085 -6.991 2.851 1.00 0.00 O ATOM 1474 CB VAL A 92 12.798 -7.729 5.510 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.909 -6.211 5.658 1.00 0.00 C ATOM 1476 CG2 VAL A 92 12.523 -8.395 6.858 1.00 0.00 C ATOM 0 H VAL A 92 10.958 -9.914 5.206 1.00 0.00 H new ATOM 0 HA VAL A 92 10.804 -7.608 4.803 1.00 0.00 H new ATOM 0 HB VAL A 92 13.755 -8.100 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.679 -5.972 6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 92 13.174 -5.770 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.953 -5.807 5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 92 13.301 -8.115 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.554 -8.068 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.518 -9.478 6.734 1.00 0.00 H new ATOM 1486 N PRO A 93 11.098 -7.888 2.137 1.00 0.00 N ATOM 1487 CA PRO A 93 11.269 -7.474 0.754 1.00 0.00 C ATOM 1488 C PRO A 93 11.020 -5.973 0.596 1.00 0.00 C ATOM 1489 O PRO A 93 10.549 -5.318 1.525 1.00 0.00 O ATOM 1490 CB PRO A 93 10.288 -8.325 -0.034 1.00 0.00 C ATOM 1491 CG PRO A 93 9.281 -8.847 0.978 1.00 0.00 C ATOM 1492 CD PRO A 93 9.850 -8.609 2.367 1.00 0.00 C ATOM 0 HA PRO A 93 12.286 -7.624 0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.795 -7.737 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.799 -9.147 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.325 -8.335 0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.095 -9.909 0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.164 -8.027 2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.026 -9.549 2.889 1.00 0.00 H new ATOM 1500 N GLU A 94 11.348 -5.473 -0.586 1.00 0.00 N ATOM 1501 CA GLU A 94 11.166 -4.061 -0.878 1.00 0.00 C ATOM 1502 C GLU A 94 9.676 -3.719 -0.938 1.00 0.00 C ATOM 1503 O GLU A 94 9.172 -3.304 -1.981 1.00 0.00 O ATOM 1504 CB GLU A 94 11.870 -3.674 -2.180 1.00 0.00 C ATOM 1505 CG GLU A 94 12.342 -2.220 -2.138 1.00 0.00 C ATOM 1506 CD GLU A 94 13.280 -1.913 -3.308 1.00 0.00 C ATOM 1507 OE1 GLU A 94 14.480 -2.215 -3.236 1.00 0.00 O ATOM 1508 OE2 GLU A 94 12.720 -1.341 -4.320 1.00 0.00 O ATOM 0 H GLU A 94 11.739 -6.020 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 94 11.620 -3.483 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.723 -4.332 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.191 -3.815 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.480 -1.553 -2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.855 -2.028 -1.196 1.00 0.00 H new ATOM 1516 N LEU A 95 9.012 -3.906 0.193 1.00 0.00 N ATOM 1517 CA LEU A 95 7.590 -3.623 0.281 1.00 0.00 C ATOM 1518 C LEU A 95 7.367 -2.114 0.165 1.00 0.00 C ATOM 1519 O LEU A 95 7.308 -1.412 1.173 1.00 0.00 O ATOM 1520 CB LEU A 95 7.000 -4.235 1.553 1.00 0.00 C ATOM 1521 CG LEU A 95 5.861 -5.238 1.350 1.00 0.00 C ATOM 1522 CD1 LEU A 95 5.352 -5.768 2.691 1.00 0.00 C ATOM 1523 CD2 LEU A 95 4.737 -4.628 0.510 1.00 0.00 C ATOM 0 H LEU A 95 9.433 -4.250 1.056 1.00 0.00 H new ATOM 0 HA LEU A 95 7.057 -4.090 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.802 -4.732 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.636 -3.426 2.187 1.00 0.00 H new ATOM 0 HG LEU A 95 6.251 -6.091 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.543 -6.478 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.166 -6.266 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.983 -4.938 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.941 -5.361 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.341 -3.748 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.127 -4.340 -0.466 1.00 0.00 H new ATOM 1535 N THR A 96 7.247 -1.659 -1.074 1.00 0.00 N ATOM 1536 CA THR A 96 7.033 -0.246 -1.336 1.00 0.00 C ATOM 1537 C THR A 96 5.550 0.028 -1.594 1.00 0.00 C ATOM 1538 O THR A 96 4.756 -0.903 -1.726 1.00 0.00 O ATOM 1539 CB THR A 96 7.938 0.162 -2.498 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.430 1.445 -2.121 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.154 0.428 -3.786 1.00 0.00 C ATOM 0 H THR A 96 7.294 -2.245 -1.908 1.00 0.00 H new ATOM 0 HA THR A 96 7.298 0.362 -0.471 1.00 0.00 H new ATOM 0 HB THR A 96 8.675 -0.621 -2.676 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.028 1.784 -2.819 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.844 0.714 -4.580 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.618 -0.475 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.440 1.234 -3.618 1.00 0.00 H new ATOM 1549 N PHE A 97 5.220 1.309 -1.659 1.00 0.00 N ATOM 1550 CA PHE A 97 3.847 1.719 -1.899 1.00 0.00 C ATOM 1551 C PHE A 97 3.778 2.801 -2.978 1.00 0.00 C ATOM 1552 O PHE A 97 4.319 3.891 -2.804 1.00 0.00 O ATOM 1553 CB PHE A 97 3.314 2.292 -0.584 1.00 0.00 C ATOM 1554 CG PHE A 97 3.844 3.688 -0.254 1.00 0.00 C ATOM 1555 CD1 PHE A 97 5.083 3.834 0.288 1.00 0.00 C ATOM 1556 CD2 PHE A 97 3.078 4.784 -0.502 1.00 0.00 C ATOM 1557 CE1 PHE A 97 5.575 5.130 0.596 1.00 0.00 C ATOM 1558 CE2 PHE A 97 3.569 6.078 -0.196 1.00 0.00 C ATOM 1559 CZ PHE A 97 4.808 6.226 0.347 1.00 0.00 C ATOM 0 H PHE A 97 5.881 2.078 -1.549 1.00 0.00 H new ATOM 0 HA PHE A 97 3.259 0.867 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.226 2.329 -0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.575 1.614 0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.693 2.964 0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.094 4.668 -0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.558 5.246 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.959 6.947 -0.394 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.182 7.212 0.580 1.00 0.00 H new ATOM 1569 N PHE A 98 3.106 2.462 -4.069 1.00 0.00 N ATOM 1570 CA PHE A 98 2.959 3.391 -5.176 1.00 0.00 C ATOM 1571 C PHE A 98 1.694 4.237 -5.018 1.00 0.00 C ATOM 1572 O PHE A 98 0.586 3.705 -4.994 1.00 0.00 O ATOM 1573 CB PHE A 98 2.841 2.553 -6.451 1.00 0.00 C ATOM 1574 CG PHE A 98 3.996 2.748 -7.435 1.00 0.00 C ATOM 1575 CD1 PHE A 98 5.257 2.373 -7.086 1.00 0.00 C ATOM 1576 CD2 PHE A 98 3.764 3.298 -8.657 1.00 0.00 C ATOM 1577 CE1 PHE A 98 6.329 2.556 -7.999 1.00 0.00 C ATOM 1578 CE2 PHE A 98 4.837 3.481 -9.569 1.00 0.00 C ATOM 1579 CZ PHE A 98 6.097 3.106 -9.221 1.00 0.00 C ATOM 0 H PHE A 98 2.657 1.557 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 98 3.814 4.066 -5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.785 1.500 -6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.905 2.802 -6.952 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.442 1.937 -6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.763 3.596 -8.934 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.330 2.258 -7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.652 3.918 -10.539 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.913 3.245 -9.915 1.00 0.00 H new ATOM 1589 N TYR A 99 1.904 5.542 -4.914 1.00 0.00 N ATOM 1590 CA TYR A 99 0.794 6.466 -4.758 1.00 0.00 C ATOM 1591 C TYR A 99 0.241 6.892 -6.119 1.00 0.00 C ATOM 1592 O TYR A 99 0.895 7.626 -6.858 1.00 0.00 O ATOM 1593 CB TYR A 99 1.365 7.695 -4.047 1.00 0.00 C ATOM 1594 CG TYR A 99 2.855 7.587 -3.722 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.310 6.590 -2.882 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.747 8.488 -4.268 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.714 6.489 -2.576 1.00 0.00 C ATOM 1598 CE2 TYR A 99 5.151 8.387 -3.962 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.565 7.393 -3.130 1.00 0.00 C ATOM 1600 OH TYR A 99 6.890 7.297 -2.841 1.00 0.00 O ATOM 0 H TYR A 99 2.825 5.980 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.018 6.000 -4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.202 8.573 -4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.812 7.857 -3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.613 5.885 -2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.392 9.269 -4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.082 5.713 -1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.859 9.085 -4.384 1.00 0.00 H new ATOM 0 HH TYR A 99 7.379 8.007 -3.307 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.961 6.414 -6.410 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.610 6.737 -7.669 1.00 0.00 C ATOM 1612 C ASP A 100 -2.880 7.544 -7.391 1.00 0.00 C ATOM 1613 O ASP A 100 -3.968 6.980 -7.285 1.00 0.00 O ATOM 1614 CB ASP A 100 -2.013 5.467 -8.422 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.778 5.509 -9.933 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -2.661 5.151 -10.728 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -0.615 5.938 -10.293 1.00 0.00 O ATOM 0 H ASP A 100 -1.502 5.806 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.906 7.308 -8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.459 4.625 -8.007 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.070 5.274 -8.239 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.700 8.852 -7.282 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.817 9.743 -7.018 1.00 0.00 C ATOM 1625 C ASN A 101 -4.370 10.266 -8.344 1.00 0.00 C ATOM 1626 O ASN A 101 -3.958 9.817 -9.413 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.377 10.946 -6.180 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.146 11.618 -6.792 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -2.104 11.945 -7.967 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -1.149 11.804 -5.931 1.00 0.00 N ATOM 0 H ASN A 101 -1.796 9.317 -7.372 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.574 9.182 -6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.193 11.665 -6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.152 10.623 -5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.283 12.244 -6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.251 11.506 -4.961 1.00 0.00 H new ATOM 1637 N SER A 102 -5.294 11.210 -8.232 1.00 0.00 N ATOM 1638 CA SER A 102 -5.907 11.800 -9.410 1.00 0.00 C ATOM 1639 C SER A 102 -5.115 13.032 -9.851 1.00 0.00 C ATOM 1640 O SER A 102 -5.578 13.805 -10.689 1.00 0.00 O ATOM 1641 CB SER A 102 -7.365 12.174 -9.143 1.00 0.00 C ATOM 1642 OG SER A 102 -7.745 11.913 -7.794 1.00 0.00 O ATOM 0 H SER A 102 -5.633 11.580 -7.344 1.00 0.00 H new ATOM 0 HA SER A 102 -5.891 11.060 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.514 13.231 -9.364 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.012 11.613 -9.817 1.00 0.00 H new ATOM 0 HG SER A 102 -8.682 12.167 -7.663 1.00 0.00 H new ATOM 1648 N LEU A 103 -3.935 13.177 -9.268 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.075 14.304 -9.590 1.00 0.00 C ATOM 1650 C LEU A 103 -2.039 13.868 -10.629 1.00 0.00 C ATOM 1651 O LEU A 103 -1.220 14.672 -11.070 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.458 14.888 -8.318 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.638 16.167 -8.496 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.395 17.385 -7.964 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.256 16.026 -7.853 1.00 0.00 C ATOM 0 H LEU A 103 -3.554 12.533 -8.575 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.656 15.111 -10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.260 15.090 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.818 14.130 -7.867 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.483 16.326 -9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.788 18.280 -8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.334 17.495 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.603 17.249 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.307 16.949 -7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.369 15.829 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.280 15.200 -8.320 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.111 12.595 -10.991 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.190 12.043 -11.969 1.00 0.00 C ATOM 1669 C VAL A 104 -1.981 11.266 -13.026 1.00 0.00 C ATOM 1670 O VAL A 104 -1.403 10.729 -13.968 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.130 11.189 -11.269 1.00 0.00 C ATOM 1672 CG1 VAL A 104 0.281 10.001 -12.142 1.00 0.00 C ATOM 1673 CG2 VAL A 104 1.085 12.033 -10.883 1.00 0.00 C ATOM 0 H VAL A 104 -2.793 11.931 -10.624 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.656 12.842 -12.483 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.568 10.794 -10.352 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.035 9.411 -11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.591 9.379 -12.344 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.692 10.366 -13.083 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.823 11.403 -10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.524 12.470 -11.780 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.775 12.829 -10.206 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.291 11.234 -12.831 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.166 10.532 -13.755 1.00 0.00 C ATOM 1685 C GLU A 105 -5.461 11.322 -13.962 1.00 0.00 C ATOM 1686 O GLU A 105 -5.973 11.399 -15.079 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.462 9.115 -13.261 1.00 0.00 C ATOM 1688 CG GLU A 105 -3.167 8.357 -12.960 1.00 0.00 C ATOM 1689 CD GLU A 105 -3.191 6.960 -13.584 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -2.709 5.998 -12.968 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -3.736 6.893 -14.751 1.00 0.00 O ATOM 0 H GLU A 105 -3.767 11.682 -12.048 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.656 10.447 -14.715 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.078 9.160 -12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.036 8.576 -14.014 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.315 8.917 -13.346 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.032 8.275 -11.882 1.00 0.00 H new ATOM 1699 N GLY A 106 -5.952 11.888 -12.870 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.177 12.668 -12.918 1.00 0.00 C ATOM 1701 C GLY A 106 -8.407 11.766 -12.801 1.00 0.00 C ATOM 1702 O GLY A 106 -9.526 12.253 -12.647 1.00 0.00 O ATOM 0 H GLY A 106 -5.524 11.822 -11.946 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.179 13.398 -12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.220 13.227 -13.852 1.00 0.00 H new ATOM 1706 N MET A 107 -8.159 10.467 -12.877 1.00 0.00 N ATOM 1707 CA MET A 107 -9.232 9.492 -12.782 1.00 0.00 C ATOM 1708 C MET A 107 -8.972 8.500 -11.647 1.00 0.00 C ATOM 1709 O MET A 107 -9.449 7.367 -11.688 1.00 0.00 O ATOM 1710 CB MET A 107 -9.353 8.734 -14.106 1.00 0.00 C ATOM 1711 CG MET A 107 -8.366 7.566 -14.160 1.00 0.00 C ATOM 1712 SD MET A 107 -7.606 7.482 -15.774 1.00 0.00 S ATOM 1713 CE MET A 107 -6.590 8.949 -15.714 1.00 0.00 C ATOM 0 H MET A 107 -7.229 10.067 -13.003 1.00 0.00 H new ATOM 0 HA MET A 107 -10.161 10.022 -12.571 1.00 0.00 H new ATOM 0 HB2 MET A 107 -10.370 8.361 -14.224 1.00 0.00 H new ATOM 0 HB3 MET A 107 -9.164 9.414 -14.937 1.00 0.00 H new ATOM 0 HG2 MET A 107 -7.600 7.691 -13.394 1.00 0.00 H new ATOM 0 HG3 MET A 107 -8.884 6.631 -13.944 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.917 9.650 -16.482 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.683 9.416 -14.734 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.549 8.678 -15.889 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.217 8.962 -10.661 1.00 0.00 N ATOM 1724 CA ARG A 108 -7.889 8.130 -9.518 1.00 0.00 C ATOM 1725 C ARG A 108 -8.547 8.681 -8.251 1.00 0.00 C ATOM 1726 O ARG A 108 -9.643 8.263 -7.883 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.375 8.056 -9.306 1.00 0.00 C ATOM 1728 CG ARG A 108 -5.825 6.698 -9.749 1.00 0.00 C ATOM 1729 CD ARG A 108 -5.559 6.679 -11.255 1.00 0.00 C ATOM 1730 NE ARG A 108 -5.208 5.308 -11.690 1.00 0.00 N ATOM 1731 CZ ARG A 108 -5.308 4.869 -12.963 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -5.750 5.690 -13.938 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -4.968 3.624 -13.238 1.00 0.00 N ATOM 0 H ARG A 108 -7.823 9.902 -10.631 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.266 7.128 -9.721 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.886 8.851 -9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.143 8.221 -8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.902 6.482 -9.210 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.535 5.912 -9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.442 7.025 -11.793 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.748 7.365 -11.498 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.870 4.654 -10.984 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.012 6.651 -13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.822 5.350 -14.897 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.636 3.010 -12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.037 3.276 -14.194 1.00 0.00 H new