USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 911 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 32 GLN : amide:sc= 0.524 K(o=0.58,f=-4.2!) USER MOD Set 1.2: A 34 SER OG : rot 9:sc= 0.0601 USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 102 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 39:sc= 0.415 USER MOD Single : A 31 HIS : no HE2:sc= 0.082 K(o=0.082,f=-2.2) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.47) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -68:sc= -0.0646 USER MOD Single : A 59 GLN : amide:sc= -1.47! C(o=-1.5!,f=-6.4!) USER MOD Single : A 64 ASN : amide:sc=-0.00069 K(o=-0.00069,f=-0.69) USER MOD Single : A 66 ASN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 70 THR OG1 : rot 34:sc= 0.703 USER MOD Single : A 75 THR OG1 : rot 60:sc= -0.736 USER MOD Single : A 85 GLN : amide:sc= -0.025 K(o=-0.025,f=-1.1) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 162:sc= -0.114 (180deg=-0.58) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.656 USER MOD Single : A 110 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.2) USER MOD Single : A 112 MET CE :methyl 142:sc= -0.188 (180deg=-0.848) USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 10 -15.199 10.744 -15.054 1.00 0.00 N ATOM 149 CA PHE A 10 -15.680 11.289 -13.797 1.00 0.00 C ATOM 150 C PHE A 10 -15.069 12.662 -13.574 1.00 0.00 C ATOM 151 O PHE A 10 -13.897 12.872 -13.881 1.00 0.00 O ATOM 152 CB PHE A 10 -15.327 10.357 -12.631 1.00 0.00 C ATOM 153 CG PHE A 10 -16.001 9.015 -12.702 1.00 0.00 C ATOM 154 CD1 PHE A 10 -17.281 8.841 -12.199 1.00 0.00 C ATOM 155 CD2 PHE A 10 -15.357 7.929 -13.273 1.00 0.00 C ATOM 156 CE1 PHE A 10 -17.903 7.610 -12.265 1.00 0.00 C ATOM 157 CE2 PHE A 10 -15.975 6.696 -13.341 1.00 0.00 C ATOM 158 CZ PHE A 10 -17.251 6.536 -12.837 1.00 0.00 C ATOM 0 HA PHE A 10 -16.765 11.378 -13.843 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -14.247 10.210 -12.609 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.602 10.842 -11.694 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -17.797 9.677 -11.751 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -14.360 8.048 -13.670 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -18.900 7.487 -11.869 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -15.461 5.858 -13.788 1.00 0.00 H new ATOM 0 HZ PHE A 10 -17.737 5.573 -12.890 1.00 0.00 H new ATOM 168 N PRO A 11 -15.854 13.617 -13.064 1.00 0.00 N ATOM 169 CA PRO A 11 -15.383 14.975 -12.791 1.00 0.00 C ATOM 170 C PRO A 11 -14.526 15.038 -11.528 1.00 0.00 C ATOM 171 O PRO A 11 -14.893 15.697 -10.553 1.00 0.00 O ATOM 172 CB PRO A 11 -16.679 15.783 -12.601 1.00 0.00 C ATOM 173 CG PRO A 11 -17.799 14.850 -12.937 1.00 0.00 C ATOM 174 CD PRO A 11 -17.269 13.466 -12.719 1.00 0.00 C ATOM 0 HA PRO A 11 -14.750 15.355 -13.593 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.767 16.145 -11.577 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.692 16.658 -13.251 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -18.666 15.039 -12.304 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.122 14.985 -13.969 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.404 13.136 -11.689 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.767 12.735 -13.355 1.00 0.00 H new ATOM 182 N ARG A 12 -13.386 14.348 -11.564 1.00 0.00 N ATOM 183 CA ARG A 12 -12.477 14.260 -10.421 1.00 0.00 C ATOM 184 C ARG A 12 -13.213 13.753 -9.184 1.00 0.00 C ATOM 185 O ARG A 12 -13.536 14.513 -8.273 1.00 0.00 O ATOM 186 CB ARG A 12 -11.802 15.605 -10.147 1.00 0.00 C ATOM 187 CG ARG A 12 -10.896 16.057 -11.279 1.00 0.00 C ATOM 188 CD ARG A 12 -10.255 17.401 -10.988 1.00 0.00 C ATOM 189 NE ARG A 12 -9.304 17.784 -12.031 1.00 0.00 N ATOM 190 CZ ARG A 12 -8.665 18.949 -12.073 1.00 0.00 C ATOM 191 NH1 ARG A 12 -8.928 19.896 -11.178 1.00 0.00 N ATOM 192 NH2 ARG A 12 -7.786 19.175 -13.038 1.00 0.00 N ATOM 0 H ARG A 12 -13.067 13.835 -12.386 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.694 13.542 -10.667 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.568 16.362 -9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.218 15.532 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.118 15.311 -11.441 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.473 16.122 -12.202 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.030 18.163 -10.904 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.743 17.360 -10.026 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.119 17.112 -12.776 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.625 19.732 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.433 20.787 -11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.604 18.458 -13.741 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.291 20.066 -13.078 1.00 0.00 H new ATOM 206 N THR A 13 -13.496 12.463 -9.187 1.00 0.00 N ATOM 207 CA THR A 13 -14.255 11.851 -8.115 1.00 0.00 C ATOM 208 C THR A 13 -13.393 10.871 -7.330 1.00 0.00 C ATOM 209 O THR A 13 -13.118 9.763 -7.788 1.00 0.00 O ATOM 210 CB THR A 13 -15.489 11.120 -8.676 1.00 0.00 C ATOM 211 OG1 THR A 13 -16.252 12.026 -9.486 1.00 0.00 O ATOM 212 CG2 THR A 13 -16.361 10.572 -7.551 1.00 0.00 C ATOM 0 H THR A 13 -13.210 11.818 -9.923 1.00 0.00 H new ATOM 0 HA THR A 13 -14.584 12.644 -7.444 1.00 0.00 H new ATOM 0 HB THR A 13 -15.149 10.279 -9.281 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.037 11.562 -9.845 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.225 10.061 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.782 9.869 -6.952 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.700 11.394 -6.920 1.00 0.00 H new ATOM 220 N ALA A 14 -12.965 11.289 -6.150 1.00 0.00 N ATOM 221 CA ALA A 14 -12.203 10.425 -5.269 1.00 0.00 C ATOM 222 C ALA A 14 -13.081 9.968 -4.114 1.00 0.00 C ATOM 223 O ALA A 14 -13.101 10.589 -3.051 1.00 0.00 O ATOM 224 CB ALA A 14 -10.960 11.139 -4.758 1.00 0.00 C ATOM 0 H ALA A 14 -13.134 12.225 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.875 9.549 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.403 10.473 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.331 11.424 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.254 12.032 -4.207 1.00 0.00 H new ATOM 230 N ALA A 15 -13.853 8.918 -4.347 1.00 0.00 N ATOM 231 CA ALA A 15 -14.770 8.414 -3.338 1.00 0.00 C ATOM 232 C ALA A 15 -15.000 6.920 -3.503 1.00 0.00 C ATOM 233 O ALA A 15 -15.451 6.463 -4.554 1.00 0.00 O ATOM 234 CB ALA A 15 -16.094 9.162 -3.405 1.00 0.00 C ATOM 0 H ALA A 15 -13.863 8.399 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.319 8.581 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.770 8.774 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.921 10.224 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.540 9.025 -4.390 1.00 0.00 H new ATOM 240 N ILE A 16 -14.679 6.168 -2.465 1.00 0.00 N ATOM 241 CA ILE A 16 -14.906 4.733 -2.456 1.00 0.00 C ATOM 242 C ILE A 16 -16.133 4.422 -1.609 1.00 0.00 C ATOM 243 O ILE A 16 -16.126 4.630 -0.396 1.00 0.00 O ATOM 244 CB ILE A 16 -13.683 3.972 -1.894 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.424 4.334 -2.690 1.00 0.00 C ATOM 246 CG2 ILE A 16 -13.929 2.468 -1.931 1.00 0.00 C ATOM 247 CD1 ILE A 16 -11.156 3.729 -2.131 1.00 0.00 C ATOM 0 H ILE A 16 -14.257 6.531 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.065 4.405 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.533 4.268 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.550 4.004 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.319 5.419 -2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.059 1.947 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.804 2.228 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.100 2.153 -2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.308 4.029 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.005 4.079 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.240 2.642 -2.134 1.00 0.00 H new ATOM 259 N ASP A 17 -17.193 3.955 -2.249 1.00 0.00 N ATOM 260 CA ASP A 17 -18.448 3.701 -1.551 1.00 0.00 C ATOM 261 C ASP A 17 -18.419 2.365 -0.823 1.00 0.00 C ATOM 262 O ASP A 17 -18.406 2.322 0.405 1.00 0.00 O ATOM 263 CB ASP A 17 -19.636 3.751 -2.517 1.00 0.00 C ATOM 264 CG ASP A 17 -19.940 5.159 -2.988 1.00 0.00 C ATOM 265 OD1 ASP A 17 -20.464 5.959 -2.178 1.00 0.00 O ATOM 266 OD2 ASP A 17 -19.660 5.476 -4.161 1.00 0.00 O ATOM 0 H ASP A 17 -17.212 3.744 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.570 4.490 -0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.425 3.120 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -20.517 3.337 -2.027 1.00 0.00 H new ATOM 271 N ALA A 18 -18.407 1.279 -1.574 1.00 0.00 N ATOM 272 CA ALA A 18 -18.418 -0.047 -0.982 1.00 0.00 C ATOM 273 C ALA A 18 -17.266 -0.898 -1.498 1.00 0.00 C ATOM 274 O ALA A 18 -16.866 -0.794 -2.659 1.00 0.00 O ATOM 275 CB ALA A 18 -19.747 -0.737 -1.255 1.00 0.00 C ATOM 0 H ALA A 18 -18.390 1.288 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 18 -18.291 0.068 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -19.741 -1.730 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -20.557 -0.149 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -19.896 -0.827 -2.331 1.00 0.00 H new ATOM 281 N TYR A 19 -16.734 -1.731 -0.618 1.00 0.00 N ATOM 282 CA TYR A 19 -15.685 -2.675 -0.972 1.00 0.00 C ATOM 283 C TYR A 19 -15.919 -3.996 -0.257 1.00 0.00 C ATOM 284 O TYR A 19 -16.260 -4.017 0.925 1.00 0.00 O ATOM 285 CB TYR A 19 -14.301 -2.122 -0.604 1.00 0.00 C ATOM 286 CG TYR A 19 -13.196 -3.160 -0.663 1.00 0.00 C ATOM 287 CD1 TYR A 19 -12.674 -3.584 -1.879 1.00 0.00 C ATOM 288 CD2 TYR A 19 -12.688 -3.729 0.501 1.00 0.00 C ATOM 289 CE1 TYR A 19 -11.675 -4.538 -1.933 1.00 0.00 C ATOM 290 CE2 TYR A 19 -11.693 -4.686 0.452 1.00 0.00 C ATOM 291 CZ TYR A 19 -11.190 -5.087 -0.766 1.00 0.00 C ATOM 292 OH TYR A 19 -10.200 -6.041 -0.818 1.00 0.00 O ATOM 0 H TYR A 19 -17.017 -1.772 0.361 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.715 -2.833 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.055 -1.303 -1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.342 -1.704 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.055 -3.161 -2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -13.078 -3.417 1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.276 -4.852 -2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.311 -5.118 1.365 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.970 -6.324 0.092 1.00 0.00 H new ATOM 302 N GLY A 20 -15.755 -5.091 -0.976 1.00 0.00 N ATOM 303 CA GLY A 20 -15.868 -6.395 -0.362 1.00 0.00 C ATOM 304 C GLY A 20 -16.725 -7.333 -1.169 1.00 0.00 C ATOM 305 O GLY A 20 -16.269 -8.392 -1.601 1.00 0.00 O ATOM 0 H GLY A 20 -15.546 -5.102 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.874 -6.826 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.291 -6.289 0.637 1.00 0.00 H new ATOM 309 N LYS A 21 -17.962 -6.940 -1.388 1.00 0.00 N ATOM 310 CA LYS A 21 -18.895 -7.768 -2.126 1.00 0.00 C ATOM 311 C LYS A 21 -18.730 -7.550 -3.619 1.00 0.00 C ATOM 312 O LYS A 21 -19.006 -6.464 -4.135 1.00 0.00 O ATOM 313 CB LYS A 21 -20.333 -7.481 -1.707 1.00 0.00 C ATOM 314 CG LYS A 21 -21.352 -8.347 -2.430 1.00 0.00 C ATOM 315 CD LYS A 21 -22.733 -8.198 -1.822 1.00 0.00 C ATOM 316 CE LYS A 21 -22.724 -8.580 -0.352 1.00 0.00 C ATOM 317 NZ LYS A 21 -24.068 -8.446 0.264 1.00 0.00 N ATOM 0 H LYS A 21 -18.346 -6.052 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.675 -8.810 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.430 -7.638 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -20.557 -6.431 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -21.385 -8.071 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.043 -9.391 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -23.074 -7.168 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -23.441 -8.827 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.377 -9.608 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.015 -7.948 0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.019 -8.716 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.389 -7.460 0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.740 -9.068 -0.229 1.00 0.00 H new ATOM 331 N GLY A 22 -18.285 -8.593 -4.301 1.00 0.00 N ATOM 332 CA GLY A 22 -18.042 -8.511 -5.728 1.00 0.00 C ATOM 333 C GLY A 22 -17.080 -7.396 -6.089 1.00 0.00 C ATOM 334 O GLY A 22 -17.362 -6.590 -6.975 1.00 0.00 O ATOM 0 H GLY A 22 -18.086 -9.504 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.641 -9.461 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.988 -8.353 -6.246 1.00 0.00 H new ATOM 338 N GLY A 23 -15.961 -7.333 -5.379 1.00 0.00 N ATOM 339 CA GLY A 23 -14.953 -6.330 -5.665 1.00 0.00 C ATOM 340 C GLY A 23 -15.306 -4.966 -5.104 1.00 0.00 C ATOM 341 O GLY A 23 -15.667 -4.844 -3.930 1.00 0.00 O ATOM 0 H GLY A 23 -15.733 -7.960 -4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.998 -6.652 -5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.821 -6.251 -6.744 1.00 0.00 H new ATOM 345 N PHE A 24 -15.187 -3.945 -5.942 1.00 0.00 N ATOM 346 CA PHE A 24 -15.518 -2.580 -5.552 1.00 0.00 C ATOM 347 C PHE A 24 -16.895 -2.188 -6.073 1.00 0.00 C ATOM 348 O PHE A 24 -17.344 -2.682 -7.110 1.00 0.00 O ATOM 349 CB PHE A 24 -14.485 -1.591 -6.100 1.00 0.00 C ATOM 350 CG PHE A 24 -13.135 -1.664 -5.445 1.00 0.00 C ATOM 351 CD1 PHE A 24 -12.149 -2.499 -5.943 1.00 0.00 C ATOM 352 CD2 PHE A 24 -12.849 -0.880 -4.338 1.00 0.00 C ATOM 353 CE1 PHE A 24 -10.904 -2.555 -5.346 1.00 0.00 C ATOM 354 CE2 PHE A 24 -11.606 -0.931 -3.740 1.00 0.00 C ATOM 355 CZ PHE A 24 -10.632 -1.769 -4.244 1.00 0.00 C ATOM 0 H PHE A 24 -14.861 -4.037 -6.904 1.00 0.00 H new ATOM 0 HA PHE A 24 -15.515 -2.542 -4.463 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -14.365 -1.768 -7.169 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -14.875 -0.579 -5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -12.355 -3.113 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -13.607 -0.222 -3.939 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.144 -3.213 -5.741 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -11.396 -0.315 -2.878 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.659 -1.810 -3.777 1.00 0.00 H new ATOM 365 N TYR A 25 -17.556 -1.300 -5.348 1.00 0.00 N ATOM 366 CA TYR A 25 -18.826 -0.739 -5.783 1.00 0.00 C ATOM 367 C TYR A 25 -18.897 0.734 -5.401 1.00 0.00 C ATOM 368 O TYR A 25 -18.836 1.078 -4.225 1.00 0.00 O ATOM 369 CB TYR A 25 -20.000 -1.506 -5.161 1.00 0.00 C ATOM 370 CG TYR A 25 -21.351 -0.873 -5.429 1.00 0.00 C ATOM 371 CD1 TYR A 25 -21.890 -0.849 -6.709 1.00 0.00 C ATOM 372 CD2 TYR A 25 -22.079 -0.287 -4.399 1.00 0.00 C ATOM 373 CE1 TYR A 25 -23.117 -0.261 -6.955 1.00 0.00 C ATOM 374 CE2 TYR A 25 -23.306 0.303 -4.639 1.00 0.00 C ATOM 375 CZ TYR A 25 -23.820 0.313 -5.917 1.00 0.00 C ATOM 376 OH TYR A 25 -25.040 0.906 -6.159 1.00 0.00 O ATOM 0 H TYR A 25 -17.231 -0.949 -4.447 1.00 0.00 H new ATOM 0 HA TYR A 25 -18.895 -0.831 -6.867 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.003 -2.525 -5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.848 -1.575 -4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -21.342 -1.297 -7.525 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.679 -0.293 -3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -23.523 -0.251 -7.956 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -23.859 0.754 -3.828 1.00 0.00 H new ATOM 0 HH TYR A 25 -25.403 1.261 -5.321 1.00 0.00 H new ATOM 386 N PHE A 26 -19.000 1.600 -6.395 1.00 0.00 N ATOM 387 CA PHE A 26 -19.137 3.025 -6.137 1.00 0.00 C ATOM 388 C PHE A 26 -20.089 3.647 -7.148 1.00 0.00 C ATOM 389 O PHE A 26 -20.504 2.983 -8.100 1.00 0.00 O ATOM 390 CB PHE A 26 -17.768 3.726 -6.174 1.00 0.00 C ATOM 391 CG PHE A 26 -17.158 3.847 -7.545 1.00 0.00 C ATOM 392 CD1 PHE A 26 -16.537 2.765 -8.147 1.00 0.00 C ATOM 393 CD2 PHE A 26 -17.201 5.053 -8.227 1.00 0.00 C ATOM 394 CE1 PHE A 26 -15.974 2.883 -9.403 1.00 0.00 C ATOM 395 CE2 PHE A 26 -16.639 5.176 -9.483 1.00 0.00 C ATOM 396 CZ PHE A 26 -16.024 4.089 -10.072 1.00 0.00 C ATOM 0 H PHE A 26 -18.992 1.344 -7.382 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.551 3.158 -5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.875 4.724 -5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.078 3.179 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.492 1.819 -7.629 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.680 5.907 -7.771 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.494 2.031 -9.862 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.681 6.121 -10.004 1.00 0.00 H new ATOM 0 HZ PHE A 26 -15.583 4.182 -11.054 1.00 0.00 H new ATOM 406 N ALA A 27 -20.438 4.910 -6.935 1.00 0.00 N ATOM 407 CA ALA A 27 -21.317 5.629 -7.848 1.00 0.00 C ATOM 408 C ALA A 27 -20.661 5.823 -9.213 1.00 0.00 C ATOM 409 O ALA A 27 -19.945 6.798 -9.443 1.00 0.00 O ATOM 410 CB ALA A 27 -21.718 6.971 -7.253 1.00 0.00 C ATOM 0 H ALA A 27 -20.124 5.459 -6.135 1.00 0.00 H new ATOM 0 HA ALA A 27 -22.215 5.028 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -22.374 7.495 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -22.241 6.809 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -20.826 7.571 -7.074 1.00 0.00 H new ATOM 416 N GLY A 28 -20.890 4.869 -10.104 1.00 0.00 N ATOM 417 CA GLY A 28 -20.324 4.937 -11.434 1.00 0.00 C ATOM 418 C GLY A 28 -20.054 3.560 -12.006 1.00 0.00 C ATOM 419 O GLY A 28 -20.349 3.294 -13.171 1.00 0.00 O ATOM 0 H GLY A 28 -21.462 4.044 -9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.006 5.475 -12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -19.395 5.506 -11.404 1.00 0.00 H new ATOM 423 N MET A 29 -19.504 2.679 -11.178 1.00 0.00 N ATOM 424 CA MET A 29 -19.195 1.314 -11.595 1.00 0.00 C ATOM 425 C MET A 29 -19.630 0.321 -10.526 1.00 0.00 C ATOM 426 O MET A 29 -19.272 0.453 -9.352 1.00 0.00 O ATOM 427 CB MET A 29 -17.698 1.150 -11.880 1.00 0.00 C ATOM 428 CG MET A 29 -17.230 1.859 -13.140 1.00 0.00 C ATOM 429 SD MET A 29 -18.000 1.199 -14.631 1.00 0.00 S ATOM 430 CE MET A 29 -17.293 2.271 -15.880 1.00 0.00 C ATOM 0 H MET A 29 -19.262 2.886 -10.209 1.00 0.00 H new ATOM 0 HA MET A 29 -19.745 1.113 -12.514 1.00 0.00 H new ATOM 0 HB2 MET A 29 -17.132 1.530 -11.029 1.00 0.00 H new ATOM 0 HB3 MET A 29 -17.469 0.088 -11.966 1.00 0.00 H new ATOM 0 HG2 MET A 29 -17.455 2.922 -13.059 1.00 0.00 H new ATOM 0 HG3 MET A 29 -16.147 1.768 -13.223 1.00 0.00 H new ATOM 0 HE1 MET A 29 -17.674 1.987 -16.861 1.00 0.00 H new ATOM 0 HE2 MET A 29 -17.567 3.305 -15.669 1.00 0.00 H new ATOM 0 HE3 MET A 29 -16.207 2.174 -15.871 1.00 0.00 H new ATOM 440 N SER A 30 -20.403 -0.671 -10.938 1.00 0.00 N ATOM 441 CA SER A 30 -20.931 -1.662 -10.019 1.00 0.00 C ATOM 442 C SER A 30 -20.215 -2.999 -10.178 1.00 0.00 C ATOM 443 O SER A 30 -20.344 -3.656 -11.211 1.00 0.00 O ATOM 444 CB SER A 30 -22.430 -1.836 -10.264 1.00 0.00 C ATOM 445 OG SER A 30 -22.684 -2.120 -11.628 1.00 0.00 O ATOM 0 H SER A 30 -20.679 -0.810 -11.910 1.00 0.00 H new ATOM 0 HA SER A 30 -20.764 -1.313 -9.000 1.00 0.00 H new ATOM 0 HB2 SER A 30 -22.814 -2.644 -9.641 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.959 -0.929 -9.971 1.00 0.00 H new ATOM 0 HG SER A 30 -21.987 -2.716 -11.974 1.00 0.00 H new ATOM 451 N HIS A 31 -19.461 -3.376 -9.148 1.00 0.00 N ATOM 452 CA HIS A 31 -18.769 -4.666 -9.091 1.00 0.00 C ATOM 453 C HIS A 31 -17.629 -4.749 -10.097 1.00 0.00 C ATOM 454 O HIS A 31 -17.818 -5.146 -11.246 1.00 0.00 O ATOM 455 CB HIS A 31 -19.731 -5.843 -9.291 1.00 0.00 C ATOM 456 CG HIS A 31 -20.714 -6.014 -8.177 1.00 0.00 C ATOM 457 ND1 HIS A 31 -20.337 -6.240 -6.874 1.00 0.00 N ATOM 458 CD2 HIS A 31 -22.066 -5.986 -8.177 1.00 0.00 C ATOM 459 CE1 HIS A 31 -21.414 -6.346 -6.120 1.00 0.00 C ATOM 460 NE2 HIS A 31 -22.477 -6.196 -6.884 1.00 0.00 N ATOM 0 H HIS A 31 -19.311 -2.794 -8.324 1.00 0.00 H new ATOM 0 HA HIS A 31 -18.345 -4.736 -8.089 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -20.275 -5.701 -10.225 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.152 -6.760 -9.396 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -19.375 -6.314 -6.543 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -22.704 -5.828 -9.034 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -21.423 -6.526 -5.055 1.00 0.00 H new ATOM 469 N GLN A 32 -16.450 -4.356 -9.651 1.00 0.00 N ATOM 470 CA GLN A 32 -15.238 -4.499 -10.438 1.00 0.00 C ATOM 471 C GLN A 32 -14.086 -4.853 -9.513 1.00 0.00 C ATOM 472 O GLN A 32 -13.972 -4.300 -8.417 1.00 0.00 O ATOM 473 CB GLN A 32 -14.929 -3.213 -11.208 1.00 0.00 C ATOM 474 CG GLN A 32 -14.870 -3.407 -12.718 1.00 0.00 C ATOM 475 CD GLN A 32 -13.766 -4.355 -13.156 1.00 0.00 C ATOM 476 OE1 GLN A 32 -12.722 -4.462 -12.509 1.00 0.00 O ATOM 477 NE2 GLN A 32 -13.987 -5.050 -14.263 1.00 0.00 N ATOM 0 H GLN A 32 -16.305 -3.930 -8.736 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.380 -5.295 -11.169 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.690 -2.468 -10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.975 -2.813 -10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -15.829 -3.790 -13.067 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -14.721 -2.439 -13.197 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.864 -4.934 -14.771 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.280 -5.700 -14.606 1.00 0.00 H new ATOM 486 N GLY A 33 -13.247 -5.781 -9.941 1.00 0.00 N ATOM 487 CA GLY A 33 -12.149 -6.223 -9.109 1.00 0.00 C ATOM 488 C GLY A 33 -10.886 -5.418 -9.322 1.00 0.00 C ATOM 489 O GLY A 33 -9.864 -5.695 -8.704 1.00 0.00 O ATOM 0 H GLY A 33 -13.306 -6.237 -10.851 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.444 -6.156 -8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.943 -7.273 -9.316 1.00 0.00 H new ATOM 493 N SER A 34 -10.950 -4.418 -10.191 1.00 0.00 N ATOM 494 CA SER A 34 -9.781 -3.605 -10.490 1.00 0.00 C ATOM 495 C SER A 34 -10.177 -2.237 -11.041 1.00 0.00 C ATOM 496 O SER A 34 -10.787 -2.136 -12.108 1.00 0.00 O ATOM 497 CB SER A 34 -8.893 -4.346 -11.484 1.00 0.00 C ATOM 498 OG SER A 34 -9.665 -4.896 -12.541 1.00 0.00 O ATOM 0 H SER A 34 -11.794 -4.152 -10.698 1.00 0.00 H new ATOM 0 HA SER A 34 -9.230 -3.434 -9.565 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.147 -3.663 -11.890 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.352 -5.141 -10.972 1.00 0.00 H new ATOM 0 HG SER A 34 -10.585 -4.565 -12.481 1.00 0.00 H new ATOM 504 N LEU A 35 -9.823 -1.188 -10.312 1.00 0.00 N ATOM 505 CA LEU A 35 -10.173 0.171 -10.704 1.00 0.00 C ATOM 506 C LEU A 35 -8.955 1.085 -10.657 1.00 0.00 C ATOM 507 O LEU A 35 -8.075 0.926 -9.808 1.00 0.00 O ATOM 508 CB LEU A 35 -11.271 0.718 -9.790 1.00 0.00 C ATOM 509 CG LEU A 35 -12.619 0.002 -9.891 1.00 0.00 C ATOM 510 CD1 LEU A 35 -13.570 0.512 -8.821 1.00 0.00 C ATOM 511 CD2 LEU A 35 -13.221 0.196 -11.274 1.00 0.00 C ATOM 0 H LEU A 35 -9.292 -1.252 -9.443 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.541 0.143 -11.730 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.924 0.662 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.420 1.773 -10.019 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.458 -1.064 -9.732 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.525 -0.007 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.142 0.326 -7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.726 1.583 -8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.180 -0.320 -11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.370 1.260 -11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.545 -0.213 -12.025 1.00 0.00 H new ATOM 523 N LEU A 36 -8.917 2.045 -11.570 1.00 0.00 N ATOM 524 CA LEU A 36 -7.815 2.990 -11.648 1.00 0.00 C ATOM 525 C LEU A 36 -8.290 4.389 -11.292 1.00 0.00 C ATOM 526 O LEU A 36 -8.845 5.099 -12.130 1.00 0.00 O ATOM 527 CB LEU A 36 -7.207 2.994 -13.054 1.00 0.00 C ATOM 528 CG LEU A 36 -6.555 1.683 -13.489 1.00 0.00 C ATOM 529 CD1 LEU A 36 -6.078 1.785 -14.929 1.00 0.00 C ATOM 530 CD2 LEU A 36 -5.397 1.334 -12.568 1.00 0.00 C ATOM 0 H LEU A 36 -9.643 2.189 -12.272 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.052 2.680 -10.934 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.990 3.246 -13.769 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.460 3.786 -13.106 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.297 0.887 -13.424 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.615 0.844 -15.227 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.927 1.993 -15.580 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.349 2.591 -15.015 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.944 0.397 -12.892 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.652 2.129 -12.603 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.764 1.225 -11.547 1.00 0.00 H new ATOM 542 N PHE A 37 -8.089 4.776 -10.046 1.00 0.00 N ATOM 543 CA PHE A 37 -8.481 6.097 -9.590 1.00 0.00 C ATOM 544 C PHE A 37 -7.396 7.109 -9.930 1.00 0.00 C ATOM 545 O PHE A 37 -6.429 7.277 -9.182 1.00 0.00 O ATOM 546 CB PHE A 37 -8.756 6.099 -8.082 1.00 0.00 C ATOM 547 CG PHE A 37 -9.972 5.308 -7.680 1.00 0.00 C ATOM 548 CD1 PHE A 37 -9.898 3.936 -7.501 1.00 0.00 C ATOM 549 CD2 PHE A 37 -11.188 5.943 -7.474 1.00 0.00 C ATOM 550 CE1 PHE A 37 -11.014 3.211 -7.127 1.00 0.00 C ATOM 551 CE2 PHE A 37 -12.307 5.222 -7.101 1.00 0.00 C ATOM 552 CZ PHE A 37 -12.220 3.855 -6.927 1.00 0.00 C ATOM 0 H PHE A 37 -7.656 4.193 -9.330 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.402 6.377 -10.102 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.886 5.696 -7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.878 7.129 -7.747 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.958 3.427 -7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.261 7.012 -7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.943 2.142 -6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -13.249 5.728 -6.946 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.093 3.290 -6.635 1.00 0.00 H new ATOM 562 N LEU A 38 -7.545 7.753 -11.077 1.00 0.00 N ATOM 563 CA LEU A 38 -6.582 8.742 -11.526 1.00 0.00 C ATOM 564 C LEU A 38 -6.993 10.124 -11.023 1.00 0.00 C ATOM 565 O LEU A 38 -8.151 10.328 -10.657 1.00 0.00 O ATOM 566 CB LEU A 38 -6.484 8.725 -13.057 1.00 0.00 C ATOM 567 CG LEU A 38 -6.108 7.374 -13.673 1.00 0.00 C ATOM 568 CD1 LEU A 38 -6.082 7.472 -15.189 1.00 0.00 C ATOM 569 CD2 LEU A 38 -4.761 6.900 -13.148 1.00 0.00 C ATOM 0 H LEU A 38 -8.327 7.607 -11.715 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.600 8.502 -11.120 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.442 9.040 -13.470 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.745 9.465 -13.366 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.864 6.643 -13.385 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.813 6.504 -15.612 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.067 7.765 -15.552 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.347 8.217 -15.493 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.513 5.939 -13.598 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.993 7.630 -13.405 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.811 6.791 -12.065 1.00 0.00 H new ATOM 581 N PRO A 39 -6.046 11.083 -10.987 1.00 0.00 N ATOM 582 CA PRO A 39 -6.289 12.432 -10.453 1.00 0.00 C ATOM 583 C PRO A 39 -7.498 13.137 -11.074 1.00 0.00 C ATOM 584 O PRO A 39 -8.164 13.935 -10.410 1.00 0.00 O ATOM 585 CB PRO A 39 -5.004 13.188 -10.799 1.00 0.00 C ATOM 586 CG PRO A 39 -3.959 12.133 -10.892 1.00 0.00 C ATOM 587 CD PRO A 39 -4.651 10.920 -11.444 1.00 0.00 C ATOM 0 HA PRO A 39 -6.519 12.392 -9.388 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.104 13.730 -11.739 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.758 13.923 -10.032 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.143 12.447 -11.542 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.525 11.925 -9.914 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.587 10.881 -12.531 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.209 9.998 -11.065 1.00 0.00 H new ATOM 595 N ASP A 40 -7.783 12.856 -12.339 1.00 0.00 N ATOM 596 CA ASP A 40 -8.893 13.513 -13.021 1.00 0.00 C ATOM 597 C ASP A 40 -10.090 12.588 -13.183 1.00 0.00 C ATOM 598 O ASP A 40 -11.220 12.979 -12.901 1.00 0.00 O ATOM 599 CB ASP A 40 -8.467 14.055 -14.387 1.00 0.00 C ATOM 600 CG ASP A 40 -7.716 15.366 -14.283 1.00 0.00 C ATOM 601 OD1 ASP A 40 -8.369 16.418 -14.123 1.00 0.00 O ATOM 602 OD2 ASP A 40 -6.470 15.356 -14.362 1.00 0.00 O ATOM 0 H ASP A 40 -7.268 12.185 -12.909 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.193 14.349 -12.389 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.838 13.318 -14.886 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.350 14.195 -15.010 1.00 0.00 H new ATOM 607 N ALA A 41 -9.854 11.365 -13.632 1.00 0.00 N ATOM 608 CA ALA A 41 -10.952 10.450 -13.910 1.00 0.00 C ATOM 609 C ALA A 41 -10.649 9.042 -13.423 1.00 0.00 C ATOM 610 O ALA A 41 -9.494 8.638 -13.328 1.00 0.00 O ATOM 611 CB ALA A 41 -11.261 10.432 -15.398 1.00 0.00 C ATOM 0 H ALA A 41 -8.924 10.986 -13.810 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.825 10.810 -13.366 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.084 9.744 -15.590 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.542 11.434 -15.723 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.379 10.106 -15.949 1.00 0.00 H new ATOM 617 N VAL A 42 -11.701 8.298 -13.119 1.00 0.00 N ATOM 618 CA VAL A 42 -11.560 6.919 -12.688 1.00 0.00 C ATOM 619 C VAL A 42 -11.716 5.981 -13.878 1.00 0.00 C ATOM 620 O VAL A 42 -12.727 6.016 -14.584 1.00 0.00 O ATOM 621 CB VAL A 42 -12.600 6.550 -11.607 1.00 0.00 C ATOM 622 CG1 VAL A 42 -12.386 5.128 -11.109 1.00 0.00 C ATOM 623 CG2 VAL A 42 -12.541 7.537 -10.451 1.00 0.00 C ATOM 0 H VAL A 42 -12.665 8.629 -13.164 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.565 6.810 -12.257 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.591 6.604 -12.057 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.131 4.893 -10.349 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.485 4.432 -11.942 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.388 5.039 -10.679 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.280 7.261 -9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.546 7.517 -10.006 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.754 8.541 -10.818 1.00 0.00 H new ATOM 633 N TRP A 43 -10.699 5.170 -14.109 1.00 0.00 N ATOM 634 CA TRP A 43 -10.717 4.191 -15.183 1.00 0.00 C ATOM 635 C TRP A 43 -10.864 2.789 -14.605 1.00 0.00 C ATOM 636 O TRP A 43 -10.915 2.615 -13.386 1.00 0.00 O ATOM 637 CB TRP A 43 -9.440 4.294 -16.022 1.00 0.00 C ATOM 638 CG TRP A 43 -9.418 5.485 -16.935 1.00 0.00 C ATOM 639 CD1 TRP A 43 -9.500 6.801 -16.578 1.00 0.00 C ATOM 640 CD2 TRP A 43 -9.292 5.465 -18.361 1.00 0.00 C ATOM 641 NE1 TRP A 43 -9.450 7.597 -17.697 1.00 0.00 N ATOM 642 CE2 TRP A 43 -9.317 6.802 -18.803 1.00 0.00 C ATOM 643 CE3 TRP A 43 -9.163 4.445 -19.310 1.00 0.00 C ATOM 644 CZ2 TRP A 43 -9.219 7.143 -20.149 1.00 0.00 C ATOM 645 CZ3 TRP A 43 -9.064 4.787 -20.645 1.00 0.00 C ATOM 646 CH2 TRP A 43 -9.092 6.126 -21.053 1.00 0.00 C ATOM 0 H TRP A 43 -9.840 5.171 -13.560 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.569 4.395 -15.831 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.579 4.342 -15.355 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.332 3.388 -16.618 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.591 7.163 -15.565 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.503 8.616 -17.702 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.141 3.409 -19.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.242 8.175 -20.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.963 4.008 -21.386 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.012 6.360 -22.104 1.00 0.00 H new ATOM 657 N GLY A 44 -10.927 1.793 -15.471 1.00 0.00 N ATOM 658 CA GLY A 44 -11.132 0.440 -15.009 1.00 0.00 C ATOM 659 C GLY A 44 -10.167 -0.543 -15.627 1.00 0.00 C ATOM 660 O GLY A 44 -9.693 -0.350 -16.747 1.00 0.00 O ATOM 0 H GLY A 44 -10.840 1.896 -16.482 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.027 0.412 -13.924 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.152 0.133 -15.239 1.00 0.00 H new ATOM 664 N TRP A 45 -9.868 -1.594 -14.883 1.00 0.00 N ATOM 665 CA TRP A 45 -9.042 -2.685 -15.371 1.00 0.00 C ATOM 666 C TRP A 45 -9.898 -3.929 -15.543 1.00 0.00 C ATOM 667 O TRP A 45 -11.128 -3.852 -15.527 1.00 0.00 O ATOM 668 CB TRP A 45 -7.918 -2.993 -14.381 1.00 0.00 C ATOM 669 CG TRP A 45 -6.582 -2.423 -14.735 1.00 0.00 C ATOM 670 CD1 TRP A 45 -6.166 -1.968 -15.955 1.00 0.00 C ATOM 671 CD2 TRP A 45 -5.467 -2.282 -13.851 1.00 0.00 C ATOM 672 NE1 TRP A 45 -4.859 -1.547 -15.876 1.00 0.00 N ATOM 673 CE2 TRP A 45 -4.410 -1.728 -14.593 1.00 0.00 C ATOM 674 CE3 TRP A 45 -5.265 -2.567 -12.498 1.00 0.00 C ATOM 675 CZ2 TRP A 45 -3.167 -1.458 -14.028 1.00 0.00 C ATOM 676 CZ3 TRP A 45 -4.031 -2.298 -11.938 1.00 0.00 C ATOM 677 CH2 TRP A 45 -2.996 -1.748 -12.702 1.00 0.00 C ATOM 0 H TRP A 45 -10.191 -1.715 -13.923 1.00 0.00 H new ATOM 0 HA TRP A 45 -8.607 -2.390 -16.326 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -8.207 -2.617 -13.400 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.821 -4.075 -14.292 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.773 -1.943 -16.848 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -4.312 -1.163 -16.647 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -6.059 -2.990 -11.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.366 -1.035 -14.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.863 -2.516 -10.894 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -2.043 -1.548 -12.235 1.00 0.00 H new ATOM 688 N ASP A 46 -9.247 -5.067 -15.711 1.00 0.00 N ATOM 689 CA ASP A 46 -9.934 -6.349 -15.707 1.00 0.00 C ATOM 690 C ASP A 46 -9.070 -7.357 -14.962 1.00 0.00 C ATOM 691 O ASP A 46 -9.207 -8.570 -15.122 1.00 0.00 O ATOM 692 CB ASP A 46 -10.213 -6.823 -17.136 1.00 0.00 C ATOM 693 CG ASP A 46 -11.467 -7.674 -17.219 1.00 0.00 C ATOM 694 OD1 ASP A 46 -12.467 -7.319 -16.557 1.00 0.00 O ATOM 695 OD2 ASP A 46 -11.472 -8.684 -17.956 1.00 0.00 O ATOM 0 H ASP A 46 -8.239 -5.130 -15.853 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.897 -6.248 -15.206 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.318 -5.958 -17.791 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.361 -7.397 -17.500 1.00 0.00 H new ATOM 700 N VAL A 47 -8.197 -6.821 -14.119 1.00 0.00 N ATOM 701 CA VAL A 47 -7.218 -7.613 -13.392 1.00 0.00 C ATOM 702 C VAL A 47 -7.677 -7.825 -11.954 1.00 0.00 C ATOM 703 O VAL A 47 -7.412 -7.003 -11.080 1.00 0.00 O ATOM 704 CB VAL A 47 -5.834 -6.920 -13.392 1.00 0.00 C ATOM 705 CG1 VAL A 47 -4.783 -7.784 -12.712 1.00 0.00 C ATOM 706 CG2 VAL A 47 -5.409 -6.573 -14.811 1.00 0.00 C ATOM 0 H VAL A 47 -8.149 -5.822 -13.921 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.127 -8.577 -13.893 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.923 -5.995 -12.822 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.822 -7.269 -12.729 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.077 -7.970 -11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.695 -8.733 -13.240 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.434 -6.087 -14.790 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.347 -7.485 -15.405 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.141 -5.899 -15.256 1.00 0.00 H new ATOM 716 N THR A 48 -8.385 -8.916 -11.719 1.00 0.00 N ATOM 717 CA THR A 48 -8.926 -9.202 -10.401 1.00 0.00 C ATOM 718 C THR A 48 -7.993 -10.129 -9.622 1.00 0.00 C ATOM 719 O THR A 48 -8.123 -10.295 -8.410 1.00 0.00 O ATOM 720 CB THR A 48 -10.324 -9.835 -10.526 1.00 0.00 C ATOM 721 OG1 THR A 48 -11.093 -9.084 -11.475 1.00 0.00 O ATOM 722 CG2 THR A 48 -11.052 -9.853 -9.190 1.00 0.00 C ATOM 0 H THR A 48 -8.599 -9.620 -12.425 1.00 0.00 H new ATOM 0 HA THR A 48 -9.011 -8.263 -9.854 1.00 0.00 H new ATOM 0 HB THR A 48 -10.205 -10.866 -10.858 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.984 -9.482 -11.562 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.035 -10.307 -9.317 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.475 -10.433 -8.469 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.168 -8.832 -8.825 1.00 0.00 H new ATOM 730 N LYS A 49 -7.052 -10.735 -10.328 1.00 0.00 N ATOM 731 CA LYS A 49 -6.069 -11.595 -9.692 1.00 0.00 C ATOM 732 C LYS A 49 -4.734 -10.868 -9.577 1.00 0.00 C ATOM 733 O LYS A 49 -4.203 -10.379 -10.577 1.00 0.00 O ATOM 734 CB LYS A 49 -5.887 -12.897 -10.477 1.00 0.00 C ATOM 735 CG LYS A 49 -7.153 -13.735 -10.590 1.00 0.00 C ATOM 736 CD LYS A 49 -6.874 -15.069 -11.266 1.00 0.00 C ATOM 737 CE LYS A 49 -6.375 -14.881 -12.691 1.00 0.00 C ATOM 738 NZ LYS A 49 -5.842 -16.146 -13.264 1.00 0.00 N ATOM 0 H LYS A 49 -6.949 -10.647 -11.339 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.431 -11.844 -8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.531 -12.658 -11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.111 -13.493 -9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.567 -13.908 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.905 -13.187 -11.158 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.132 -15.621 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.783 -15.670 -11.275 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.190 -14.515 -13.316 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.595 -14.119 -12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.512 -15.975 -14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.048 -16.483 -12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.593 -16.866 -13.275 1.00 0.00 H new ATOM 752 N PRO A 50 -4.186 -10.781 -8.353 1.00 0.00 N ATOM 753 CA PRO A 50 -2.903 -10.118 -8.093 1.00 0.00 C ATOM 754 C PRO A 50 -1.743 -10.766 -8.850 1.00 0.00 C ATOM 755 O PRO A 50 -1.916 -11.799 -9.500 1.00 0.00 O ATOM 756 CB PRO A 50 -2.706 -10.280 -6.580 1.00 0.00 C ATOM 757 CG PRO A 50 -4.066 -10.556 -6.040 1.00 0.00 C ATOM 758 CD PRO A 50 -4.790 -11.309 -7.118 1.00 0.00 C ATOM 0 HA PRO A 50 -2.916 -9.080 -8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.020 -11.097 -6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.282 -9.378 -6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.011 -11.143 -5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.585 -9.629 -5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.645 -12.385 -7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.864 -11.128 -7.085 1.00 0.00 H new ATOM 766 N GLU A 51 -0.567 -10.133 -8.770 1.00 0.00 N ATOM 767 CA GLU A 51 0.653 -10.602 -9.443 1.00 0.00 C ATOM 768 C GLU A 51 0.608 -10.340 -10.951 1.00 0.00 C ATOM 769 O GLU A 51 1.644 -10.119 -11.579 1.00 0.00 O ATOM 770 CB GLU A 51 0.917 -12.090 -9.169 1.00 0.00 C ATOM 771 CG GLU A 51 2.150 -12.622 -9.881 1.00 0.00 C ATOM 772 CD GLU A 51 2.413 -14.084 -9.598 1.00 0.00 C ATOM 773 OE1 GLU A 51 1.779 -14.945 -10.243 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.271 -14.378 -8.742 1.00 0.00 O ATOM 0 H GLU A 51 -0.433 -9.276 -8.234 1.00 0.00 H new ATOM 0 HA GLU A 51 1.479 -10.027 -9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.033 -12.240 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.048 -12.670 -9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.031 -12.482 -10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.018 -12.037 -9.577 1.00 0.00 H new ATOM 781 N GLN A 52 -0.588 -10.334 -11.526 1.00 0.00 N ATOM 782 CA GLN A 52 -0.753 -10.105 -12.960 1.00 0.00 C ATOM 783 C GLN A 52 -0.629 -8.625 -13.311 1.00 0.00 C ATOM 784 O GLN A 52 -1.109 -8.179 -14.353 1.00 0.00 O ATOM 785 CB GLN A 52 -2.101 -10.653 -13.431 1.00 0.00 C ATOM 786 CG GLN A 52 -2.201 -12.167 -13.338 1.00 0.00 C ATOM 787 CD GLN A 52 -1.119 -12.866 -14.141 1.00 0.00 C ATOM 788 OE1 GLN A 52 -0.028 -13.130 -13.636 1.00 0.00 O ATOM 789 NE2 GLN A 52 -1.414 -13.174 -15.394 1.00 0.00 N ATOM 0 H GLN A 52 -1.462 -10.485 -11.022 1.00 0.00 H new ATOM 0 HA GLN A 52 0.048 -10.635 -13.476 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.896 -10.206 -12.834 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.269 -10.348 -14.464 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.128 -12.470 -12.294 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.180 -12.487 -13.696 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.330 -12.938 -15.775 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.725 -13.648 -15.978 1.00 0.00 H new ATOM 798 N ILE A 53 0.032 -7.872 -12.444 1.00 0.00 N ATOM 799 CA ILE A 53 0.313 -6.474 -12.704 1.00 0.00 C ATOM 800 C ILE A 53 1.545 -6.368 -13.598 1.00 0.00 C ATOM 801 O ILE A 53 2.660 -6.140 -13.131 1.00 0.00 O ATOM 802 CB ILE A 53 0.545 -5.683 -11.397 1.00 0.00 C ATOM 803 CG1 ILE A 53 -0.609 -5.925 -10.418 1.00 0.00 C ATOM 804 CG2 ILE A 53 0.686 -4.194 -11.694 1.00 0.00 C ATOM 805 CD1 ILE A 53 -0.413 -5.264 -9.071 1.00 0.00 C ATOM 0 H ILE A 53 0.384 -8.212 -11.549 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.553 -6.039 -13.202 1.00 0.00 H new ATOM 0 HB ILE A 53 1.470 -6.033 -10.939 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.534 -5.557 -10.862 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.731 -6.998 -10.272 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.849 -3.651 -10.763 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.534 -4.035 -12.360 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.224 -3.830 -12.172 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.269 -5.479 -8.432 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.494 -5.650 -8.605 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.322 -4.186 -9.204 1.00 0.00 H new ATOM 817 N ASP A 54 1.335 -6.602 -14.882 1.00 0.00 N ATOM 818 CA ASP A 54 2.418 -6.595 -15.853 1.00 0.00 C ATOM 819 C ASP A 54 2.412 -5.281 -16.626 1.00 0.00 C ATOM 820 O ASP A 54 1.453 -4.513 -16.540 1.00 0.00 O ATOM 821 CB ASP A 54 2.258 -7.783 -16.814 1.00 0.00 C ATOM 822 CG ASP A 54 3.464 -7.993 -17.709 1.00 0.00 C ATOM 823 OD1 ASP A 54 3.521 -7.375 -18.793 1.00 0.00 O ATOM 824 OD2 ASP A 54 4.361 -8.772 -17.328 1.00 0.00 O ATOM 0 H ASP A 54 0.417 -6.801 -15.280 1.00 0.00 H new ATOM 0 HA ASP A 54 3.371 -6.689 -15.333 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.081 -8.689 -16.235 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.376 -7.624 -17.435 1.00 0.00 H new ATOM 829 N ARG A 55 3.473 -5.030 -17.385 1.00 0.00 N ATOM 830 CA ARG A 55 3.566 -3.831 -18.210 1.00 0.00 C ATOM 831 C ARG A 55 2.405 -3.783 -19.196 1.00 0.00 C ATOM 832 O ARG A 55 1.935 -2.709 -19.569 1.00 0.00 O ATOM 833 CB ARG A 55 4.887 -3.807 -18.980 1.00 0.00 C ATOM 834 CG ARG A 55 6.121 -3.941 -18.105 1.00 0.00 C ATOM 835 CD ARG A 55 7.387 -3.879 -18.942 1.00 0.00 C ATOM 836 NE ARG A 55 8.593 -4.115 -18.152 1.00 0.00 N ATOM 837 CZ ARG A 55 9.759 -3.516 -18.385 1.00 0.00 C ATOM 838 NH1 ARG A 55 9.852 -2.574 -19.317 1.00 0.00 N ATOM 839 NH2 ARG A 55 10.829 -3.841 -17.673 1.00 0.00 N ATOM 0 H ARG A 55 4.285 -5.645 -17.446 1.00 0.00 H new ATOM 0 HA ARG A 55 3.523 -2.962 -17.554 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.884 -4.616 -19.710 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.952 -2.874 -19.539 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.133 -3.145 -17.361 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.086 -4.885 -17.561 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.328 -4.620 -19.739 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.455 -2.902 -19.420 1.00 0.00 H new ATOM 0 HE ARG A 55 8.539 -4.777 -17.378 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.029 -2.308 -19.857 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.747 -2.117 -19.493 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.760 -4.552 -16.945 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.721 -3.380 -17.854 1.00 0.00 H new ATOM 853 N TYR A 56 1.944 -4.966 -19.596 1.00 0.00 N ATOM 854 CA TYR A 56 0.808 -5.101 -20.502 1.00 0.00 C ATOM 855 C TYR A 56 -0.461 -4.512 -19.884 1.00 0.00 C ATOM 856 O TYR A 56 -1.338 -4.017 -20.590 1.00 0.00 O ATOM 857 CB TYR A 56 0.597 -6.581 -20.846 1.00 0.00 C ATOM 858 CG TYR A 56 -0.606 -6.854 -21.723 1.00 0.00 C ATOM 859 CD1 TYR A 56 -0.600 -6.517 -23.071 1.00 0.00 C ATOM 860 CD2 TYR A 56 -1.747 -7.450 -21.201 1.00 0.00 C ATOM 861 CE1 TYR A 56 -1.698 -6.766 -23.872 1.00 0.00 C ATOM 862 CE2 TYR A 56 -2.848 -7.704 -21.996 1.00 0.00 C ATOM 863 CZ TYR A 56 -2.818 -7.359 -23.331 1.00 0.00 C ATOM 864 OH TYR A 56 -3.912 -7.610 -24.128 1.00 0.00 O ATOM 0 H TYR A 56 2.347 -5.856 -19.301 1.00 0.00 H new ATOM 0 HA TYR A 56 1.023 -4.546 -21.415 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.489 -6.956 -21.347 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.491 -7.145 -19.919 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.276 -6.053 -23.499 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.774 -7.720 -20.156 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.678 -6.497 -24.918 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.727 -8.170 -21.575 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.616 -8.032 -23.593 1.00 0.00 H new ATOM 874 N SER A 57 -0.553 -4.564 -18.565 1.00 0.00 N ATOM 875 CA SER A 57 -1.706 -4.025 -17.861 1.00 0.00 C ATOM 876 C SER A 57 -1.447 -2.573 -17.467 1.00 0.00 C ATOM 877 O SER A 57 -2.377 -1.782 -17.300 1.00 0.00 O ATOM 878 CB SER A 57 -2.005 -4.869 -16.617 1.00 0.00 C ATOM 879 OG SER A 57 -3.203 -4.454 -15.985 1.00 0.00 O ATOM 0 H SER A 57 0.158 -4.974 -17.959 1.00 0.00 H new ATOM 0 HA SER A 57 -2.572 -4.059 -18.522 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.086 -5.919 -16.899 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.175 -4.790 -15.914 1.00 0.00 H new ATOM 0 HG SER A 57 -3.076 -3.564 -15.596 1.00 0.00 H new ATOM 885 N LEU A 58 -0.174 -2.220 -17.346 1.00 0.00 N ATOM 886 CA LEU A 58 0.218 -0.882 -16.921 1.00 0.00 C ATOM 887 C LEU A 58 0.303 0.080 -18.103 1.00 0.00 C ATOM 888 O LEU A 58 0.861 1.169 -17.981 1.00 0.00 O ATOM 889 CB LEU A 58 1.567 -0.926 -16.198 1.00 0.00 C ATOM 890 CG LEU A 58 1.582 -1.702 -14.880 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.977 -1.692 -14.279 1.00 0.00 C ATOM 892 CD2 LEU A 58 0.576 -1.117 -13.901 1.00 0.00 C ATOM 0 H LEU A 58 0.609 -2.845 -17.537 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.550 -0.518 -16.238 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.305 -1.368 -16.868 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.888 0.097 -16.001 1.00 0.00 H new ATOM 0 HG LEU A 58 1.298 -2.734 -15.084 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.973 -2.248 -13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.676 -2.157 -14.974 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.284 -0.663 -14.090 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.603 -1.683 -12.970 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.828 -0.076 -13.700 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.424 -1.172 -14.331 1.00 0.00 H new ATOM 904 N GLN A 59 -0.265 -0.310 -19.236 1.00 0.00 N ATOM 905 CA GLN A 59 -0.259 0.541 -20.422 1.00 0.00 C ATOM 906 C GLN A 59 -0.962 1.865 -20.137 1.00 0.00 C ATOM 907 O GLN A 59 -0.516 2.921 -20.579 1.00 0.00 O ATOM 908 CB GLN A 59 -0.932 -0.164 -21.600 1.00 0.00 C ATOM 909 CG GLN A 59 -0.271 -1.475 -22.005 1.00 0.00 C ATOM 910 CD GLN A 59 1.147 -1.314 -22.529 1.00 0.00 C ATOM 911 OE1 GLN A 59 1.889 -0.417 -22.124 1.00 0.00 O ATOM 912 NE2 GLN A 59 1.529 -2.184 -23.448 1.00 0.00 N ATOM 0 H GLN A 59 -0.735 -1.207 -19.361 1.00 0.00 H new ATOM 0 HA GLN A 59 0.779 0.743 -20.684 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.974 -0.359 -21.345 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.935 0.509 -22.458 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.256 -2.144 -21.145 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.879 -1.955 -22.772 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.887 -2.913 -23.758 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.466 -2.126 -23.847 1.00 0.00 H new ATOM 921 N ARG A 60 -2.046 1.799 -19.368 1.00 0.00 N ATOM 922 CA ARG A 60 -2.789 2.995 -18.973 1.00 0.00 C ATOM 923 C ARG A 60 -1.985 3.843 -17.985 1.00 0.00 C ATOM 924 O ARG A 60 -2.341 4.984 -17.694 1.00 0.00 O ATOM 925 CB ARG A 60 -4.138 2.604 -18.357 1.00 0.00 C ATOM 926 CG ARG A 60 -5.150 2.094 -19.374 1.00 0.00 C ATOM 927 CD ARG A 60 -6.393 1.535 -18.695 1.00 0.00 C ATOM 928 NE ARG A 60 -7.436 1.176 -19.658 1.00 0.00 N ATOM 929 CZ ARG A 60 -7.913 -0.060 -19.824 1.00 0.00 C ATOM 930 NH1 ARG A 60 -7.393 -1.080 -19.152 1.00 0.00 N ATOM 931 NH2 ARG A 60 -8.903 -0.282 -20.674 1.00 0.00 N ATOM 0 H ARG A 60 -2.431 0.927 -19.004 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.966 3.592 -19.868 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.974 1.834 -17.603 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.557 3.469 -17.843 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.434 2.906 -20.044 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.691 1.320 -19.988 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.121 0.655 -18.112 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.785 2.273 -17.995 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.823 1.919 -20.240 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.623 -0.923 -18.502 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.764 -2.021 -19.285 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.303 0.492 -21.204 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.266 -1.227 -20.799 1.00 0.00 H new ATOM 945 N VAL A 61 -0.901 3.278 -17.474 1.00 0.00 N ATOM 946 CA VAL A 61 -0.032 3.986 -16.548 1.00 0.00 C ATOM 947 C VAL A 61 1.128 4.631 -17.301 1.00 0.00 C ATOM 948 O VAL A 61 1.439 5.797 -17.086 1.00 0.00 O ATOM 949 CB VAL A 61 0.519 3.047 -15.452 1.00 0.00 C ATOM 950 CG1 VAL A 61 1.416 3.806 -14.483 1.00 0.00 C ATOM 951 CG2 VAL A 61 -0.621 2.369 -14.707 1.00 0.00 C ATOM 0 H VAL A 61 -0.602 2.326 -17.687 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.629 4.759 -16.064 1.00 0.00 H new ATOM 0 HB VAL A 61 1.121 2.278 -15.937 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.790 3.122 -13.722 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.256 4.238 -15.027 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.845 4.602 -14.006 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.214 1.712 -13.939 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.251 3.126 -14.240 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.216 1.783 -15.408 1.00 0.00 H new ATOM 961 N PHE A 62 1.748 3.873 -18.201 1.00 0.00 N ATOM 962 CA PHE A 62 2.849 4.391 -19.009 1.00 0.00 C ATOM 963 C PHE A 62 2.359 5.474 -19.967 1.00 0.00 C ATOM 964 O PHE A 62 3.070 6.440 -20.246 1.00 0.00 O ATOM 965 CB PHE A 62 3.528 3.266 -19.797 1.00 0.00 C ATOM 966 CG PHE A 62 4.346 2.332 -18.948 1.00 0.00 C ATOM 967 CD1 PHE A 62 5.586 2.722 -18.469 1.00 0.00 C ATOM 968 CD2 PHE A 62 3.880 1.066 -18.634 1.00 0.00 C ATOM 969 CE1 PHE A 62 6.345 1.868 -17.690 1.00 0.00 C ATOM 970 CE2 PHE A 62 4.634 0.207 -17.857 1.00 0.00 C ATOM 971 CZ PHE A 62 5.868 0.608 -17.384 1.00 0.00 C ATOM 0 H PHE A 62 1.508 2.900 -18.389 1.00 0.00 H new ATOM 0 HA PHE A 62 3.579 4.830 -18.329 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.764 2.690 -20.320 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.172 3.707 -20.558 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.965 3.705 -18.707 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.916 0.746 -19.001 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.309 2.186 -17.321 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.258 -0.777 -17.620 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.459 -0.062 -16.776 1.00 0.00 H new ATOM 981 N ASP A 63 1.137 5.307 -20.462 1.00 0.00 N ATOM 982 CA ASP A 63 0.526 6.286 -21.361 1.00 0.00 C ATOM 983 C ASP A 63 0.261 7.600 -20.628 1.00 0.00 C ATOM 984 O ASP A 63 0.241 8.673 -21.231 1.00 0.00 O ATOM 985 CB ASP A 63 -0.779 5.723 -21.934 1.00 0.00 C ATOM 986 CG ASP A 63 -1.481 6.684 -22.874 1.00 0.00 C ATOM 987 OD1 ASP A 63 -1.024 6.841 -24.025 1.00 0.00 O ATOM 988 OD2 ASP A 63 -2.504 7.278 -22.472 1.00 0.00 O ATOM 0 H ASP A 63 0.547 4.501 -20.256 1.00 0.00 H new ATOM 0 HA ASP A 63 1.217 6.487 -22.180 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.565 4.796 -22.466 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.451 5.472 -21.113 1.00 0.00 H new ATOM 993 N ASN A 64 0.098 7.508 -19.316 1.00 0.00 N ATOM 994 CA ASN A 64 -0.197 8.670 -18.485 1.00 0.00 C ATOM 995 C ASN A 64 0.936 8.919 -17.494 1.00 0.00 C ATOM 996 O ASN A 64 0.727 9.502 -16.431 1.00 0.00 O ATOM 997 CB ASN A 64 -1.515 8.458 -17.731 1.00 0.00 C ATOM 998 CG ASN A 64 -2.728 8.479 -18.646 1.00 0.00 C ATOM 999 OD1 ASN A 64 -2.772 9.219 -19.629 1.00 0.00 O ATOM 1000 ND2 ASN A 64 -3.718 7.656 -18.335 1.00 0.00 N ATOM 0 H ASN A 64 0.166 6.632 -18.798 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.293 9.542 -19.131 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.478 7.503 -17.206 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.624 9.234 -16.974 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.554 7.620 -18.918 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.645 7.058 -17.512 1.00 0.00 H new ATOM 1007 N ALA A 65 2.144 8.501 -17.867 1.00 0.00 N ATOM 1008 CA ALA A 65 3.308 8.603 -16.989 1.00 0.00 C ATOM 1009 C ALA A 65 3.652 10.055 -16.672 1.00 0.00 C ATOM 1010 O ALA A 65 4.226 10.353 -15.632 1.00 0.00 O ATOM 1011 CB ALA A 65 4.504 7.904 -17.617 1.00 0.00 C ATOM 0 H ALA A 65 2.343 8.086 -18.777 1.00 0.00 H new ATOM 0 HA ALA A 65 3.057 8.110 -16.050 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.364 7.987 -16.953 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.269 6.852 -17.775 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.738 8.371 -18.574 1.00 0.00 H new ATOM 1017 N ASN A 66 3.293 10.961 -17.571 1.00 0.00 N ATOM 1018 CA ASN A 66 3.563 12.381 -17.360 1.00 0.00 C ATOM 1019 C ASN A 66 2.430 13.047 -16.586 1.00 0.00 C ATOM 1020 O ASN A 66 2.421 14.261 -16.397 1.00 0.00 O ATOM 1021 CB ASN A 66 3.783 13.096 -18.695 1.00 0.00 C ATOM 1022 CG ASN A 66 5.204 12.947 -19.218 1.00 0.00 C ATOM 1023 OD1 ASN A 66 5.708 13.814 -19.930 1.00 0.00 O ATOM 1024 ND2 ASN A 66 5.869 11.856 -18.856 1.00 0.00 N ATOM 0 H ASN A 66 2.818 10.743 -18.447 1.00 0.00 H new ATOM 0 HA ASN A 66 4.475 12.460 -16.768 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.086 12.700 -19.433 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.554 14.155 -18.577 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.830 11.717 -19.170 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.419 11.157 -18.264 1.00 0.00 H new ATOM 1031 N ALA A 67 1.475 12.244 -16.138 1.00 0.00 N ATOM 1032 CA ALA A 67 0.354 12.752 -15.361 1.00 0.00 C ATOM 1033 C ALA A 67 0.312 12.100 -13.983 1.00 0.00 C ATOM 1034 O ALA A 67 -0.550 12.414 -13.161 1.00 0.00 O ATOM 1035 CB ALA A 67 -0.953 12.517 -16.103 1.00 0.00 C ATOM 0 H ALA A 67 1.454 11.237 -16.300 1.00 0.00 H new ATOM 0 HA ALA A 67 0.488 13.825 -15.225 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.782 12.902 -15.510 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.924 13.032 -17.063 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.090 11.448 -16.268 1.00 0.00 H new ATOM 1041 N ILE A 68 1.257 11.202 -13.733 1.00 0.00 N ATOM 1042 CA ILE A 68 1.306 10.465 -12.478 1.00 0.00 C ATOM 1043 C ILE A 68 2.706 10.526 -11.875 1.00 0.00 C ATOM 1044 O ILE A 68 3.693 10.250 -12.553 1.00 0.00 O ATOM 1045 CB ILE A 68 0.908 8.982 -12.679 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -0.500 8.878 -13.277 1.00 0.00 C ATOM 1047 CG2 ILE A 68 0.983 8.223 -11.359 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -0.925 7.461 -13.597 1.00 0.00 C ATOM 0 H ILE A 68 2.003 10.966 -14.387 1.00 0.00 H new ATOM 0 HA ILE A 68 0.593 10.933 -11.800 1.00 0.00 H new ATOM 0 HB ILE A 68 1.613 8.530 -13.377 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.214 9.312 -12.578 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.543 9.475 -14.188 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.700 7.183 -11.521 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.001 8.266 -10.972 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.302 8.677 -10.639 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.931 7.469 -14.016 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.234 7.028 -14.320 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.916 6.864 -12.685 1.00 0.00 H new ATOM 1060 N ASP A 69 2.786 10.904 -10.607 1.00 0.00 N ATOM 1061 CA ASP A 69 4.059 10.925 -9.895 1.00 0.00 C ATOM 1062 C ASP A 69 4.166 9.710 -8.989 1.00 0.00 C ATOM 1063 O ASP A 69 5.089 8.910 -9.107 1.00 0.00 O ATOM 1064 CB ASP A 69 4.188 12.205 -9.067 1.00 0.00 C ATOM 1065 CG ASP A 69 5.440 12.234 -8.210 1.00 0.00 C ATOM 1066 OD1 ASP A 69 5.425 11.655 -7.108 1.00 0.00 O ATOM 1067 OD2 ASP A 69 6.436 12.864 -8.626 1.00 0.00 O ATOM 0 H ASP A 69 1.985 11.201 -10.049 1.00 0.00 H new ATOM 0 HA ASP A 69 4.867 10.900 -10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.193 13.065 -9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.313 12.306 -8.425 1.00 0.00 H new ATOM 1072 N THR A 70 3.205 9.575 -8.090 1.00 0.00 N ATOM 1073 CA THR A 70 3.177 8.455 -7.168 1.00 0.00 C ATOM 1074 C THR A 70 1.990 7.547 -7.475 1.00 0.00 C ATOM 1075 O THR A 70 0.866 8.020 -7.657 1.00 0.00 O ATOM 1076 CB THR A 70 3.101 8.949 -5.708 1.00 0.00 C ATOM 1077 OG1 THR A 70 4.176 9.861 -5.446 1.00 0.00 O ATOM 1078 CG2 THR A 70 3.175 7.786 -4.729 1.00 0.00 C ATOM 0 H THR A 70 2.432 10.231 -7.980 1.00 0.00 H new ATOM 0 HA THR A 70 4.099 7.888 -7.293 1.00 0.00 H new ATOM 0 HB THR A 70 2.145 9.455 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.376 10.373 -6.258 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.119 8.165 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.343 7.105 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.116 7.253 -4.867 1.00 0.00 H new ATOM 1086 N LEU A 71 2.243 6.251 -7.549 1.00 0.00 N ATOM 1087 CA LEU A 71 1.201 5.281 -7.843 1.00 0.00 C ATOM 1088 C LEU A 71 1.025 4.328 -6.670 1.00 0.00 C ATOM 1089 O LEU A 71 1.924 3.546 -6.351 1.00 0.00 O ATOM 1090 CB LEU A 71 1.547 4.495 -9.111 1.00 0.00 C ATOM 1091 CG LEU A 71 0.508 3.459 -9.545 1.00 0.00 C ATOM 1092 CD1 LEU A 71 -0.801 4.136 -9.924 1.00 0.00 C ATOM 1093 CD2 LEU A 71 1.036 2.629 -10.706 1.00 0.00 C ATOM 0 H LEU A 71 3.168 5.844 -7.408 1.00 0.00 H new ATOM 0 HA LEU A 71 0.265 5.815 -8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.693 5.202 -9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.499 3.987 -8.955 1.00 0.00 H new ATOM 0 HG LEU A 71 0.317 2.793 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.526 3.381 -10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.189 4.685 -9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.628 4.827 -10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.284 1.897 -11.002 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.258 3.283 -11.550 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.945 2.112 -10.400 1.00 0.00 H new ATOM 1105 N ILE A 72 -0.128 4.406 -6.027 1.00 0.00 N ATOM 1106 CA ILE A 72 -0.434 3.534 -4.906 1.00 0.00 C ATOM 1107 C ILE A 72 -1.261 2.348 -5.382 1.00 0.00 C ATOM 1108 O ILE A 72 -2.384 2.515 -5.859 1.00 0.00 O ATOM 1109 CB ILE A 72 -1.204 4.277 -3.793 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -0.404 5.489 -3.309 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -1.503 3.335 -2.629 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -1.126 6.316 -2.266 1.00 0.00 C ATOM 0 H ILE A 72 -0.869 5.066 -6.263 1.00 0.00 H new ATOM 0 HA ILE A 72 0.514 3.189 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.151 4.628 -4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.544 5.146 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.168 6.123 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.046 3.876 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.109 2.501 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.567 2.955 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.499 7.157 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.062 6.690 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.338 5.697 -1.394 1.00 0.00 H new ATOM 1124 N VAL A 73 -0.696 1.160 -5.268 1.00 0.00 N ATOM 1125 CA VAL A 73 -1.380 -0.049 -5.690 1.00 0.00 C ATOM 1126 C VAL A 73 -1.982 -0.767 -4.492 1.00 0.00 C ATOM 1127 O VAL A 73 -1.271 -1.163 -3.566 1.00 0.00 O ATOM 1128 CB VAL A 73 -0.433 -1.008 -6.444 1.00 0.00 C ATOM 1129 CG1 VAL A 73 -1.156 -2.291 -6.830 1.00 0.00 C ATOM 1130 CG2 VAL A 73 0.138 -0.328 -7.680 1.00 0.00 C ATOM 0 H VAL A 73 0.237 1.006 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.175 0.252 -6.372 1.00 0.00 H new ATOM 0 HB VAL A 73 0.390 -1.268 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.469 -2.951 -7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.517 -2.790 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.001 -2.052 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.803 -1.017 -8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.676 -0.038 -8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.696 0.559 -7.382 1.00 0.00 H new ATOM 1140 N GLY A 74 -3.296 -0.924 -4.516 1.00 0.00 N ATOM 1141 CA GLY A 74 -3.982 -1.626 -3.456 1.00 0.00 C ATOM 1142 C GLY A 74 -4.112 -3.098 -3.769 1.00 0.00 C ATOM 1143 O GLY A 74 -4.750 -3.471 -4.751 1.00 0.00 O ATOM 0 H GLY A 74 -3.903 -0.574 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.438 -1.497 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.972 -1.194 -3.311 1.00 0.00 H new ATOM 1147 N THR A 75 -3.498 -3.930 -2.946 1.00 0.00 N ATOM 1148 CA THR A 75 -3.501 -5.366 -3.174 1.00 0.00 C ATOM 1149 C THR A 75 -4.580 -6.067 -2.350 1.00 0.00 C ATOM 1150 O THR A 75 -4.748 -7.285 -2.426 1.00 0.00 O ATOM 1151 CB THR A 75 -2.118 -5.962 -2.868 1.00 0.00 C ATOM 1152 OG1 THR A 75 -1.483 -5.210 -1.823 1.00 0.00 O ATOM 1153 CG2 THR A 75 -1.243 -5.956 -4.112 1.00 0.00 C ATOM 0 H THR A 75 -2.990 -3.636 -2.112 1.00 0.00 H new ATOM 0 HA THR A 75 -3.731 -5.532 -4.226 1.00 0.00 H new ATOM 0 HB THR A 75 -2.251 -6.994 -2.542 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.036 -5.242 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.268 -6.382 -3.873 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.717 -6.550 -4.893 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.115 -4.932 -4.462 1.00 0.00 H new ATOM 1161 N GLY A 76 -5.308 -5.286 -1.564 1.00 0.00 N ATOM 1162 CA GLY A 76 -6.450 -5.809 -0.847 1.00 0.00 C ATOM 1163 C GLY A 76 -6.086 -6.576 0.409 1.00 0.00 C ATOM 1164 O GLY A 76 -5.689 -5.984 1.415 1.00 0.00 O ATOM 0 H GLY A 76 -5.125 -4.294 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.108 -4.983 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.015 -6.464 -1.510 1.00 0.00 H new ATOM 1168 N ALA A 77 -6.210 -7.896 0.339 1.00 0.00 N ATOM 1169 CA ALA A 77 -6.092 -8.749 1.519 1.00 0.00 C ATOM 1170 C ALA A 77 -4.643 -9.113 1.827 1.00 0.00 C ATOM 1171 O ALA A 77 -4.297 -9.394 2.978 1.00 0.00 O ATOM 1172 CB ALA A 77 -6.922 -10.007 1.331 1.00 0.00 C ATOM 0 H ALA A 77 -6.393 -8.403 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.469 -8.185 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.830 -10.639 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.968 -9.735 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.565 -10.551 0.457 1.00 0.00 H new ATOM 1178 N ASP A 78 -3.806 -9.116 0.804 1.00 0.00 N ATOM 1179 CA ASP A 78 -2.398 -9.458 0.969 1.00 0.00 C ATOM 1180 C ASP A 78 -1.525 -8.465 0.237 1.00 0.00 C ATOM 1181 O ASP A 78 -1.770 -8.158 -0.927 1.00 0.00 O ATOM 1182 CB ASP A 78 -2.101 -10.867 0.451 1.00 0.00 C ATOM 1183 CG ASP A 78 -2.259 -11.930 1.517 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -1.467 -11.918 2.486 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -3.155 -12.793 1.376 1.00 0.00 O ATOM 0 H ASP A 78 -4.075 -8.885 -0.153 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.177 -9.425 2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.769 -11.091 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.084 -10.899 0.061 1.00 0.00 H new ATOM 1190 N VAL A 79 -0.503 -7.966 0.915 1.00 0.00 N ATOM 1191 CA VAL A 79 0.393 -6.998 0.311 1.00 0.00 C ATOM 1192 C VAL A 79 1.427 -7.697 -0.572 1.00 0.00 C ATOM 1193 O VAL A 79 2.429 -8.245 -0.101 1.00 0.00 O ATOM 1194 CB VAL A 79 1.075 -6.089 1.368 1.00 0.00 C ATOM 1195 CG1 VAL A 79 1.809 -6.900 2.426 1.00 0.00 C ATOM 1196 CG2 VAL A 79 2.018 -5.098 0.699 1.00 0.00 C ATOM 0 H VAL A 79 -0.276 -8.215 1.878 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.211 -6.345 -0.319 1.00 0.00 H new ATOM 0 HB VAL A 79 0.287 -5.532 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.272 -6.225 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.102 -7.551 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.580 -7.506 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.485 -4.471 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.789 -5.641 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.456 -4.471 0.007 1.00 0.00 H new ATOM 1206 N TRP A 80 1.137 -7.721 -1.860 1.00 0.00 N ATOM 1207 CA TRP A 80 2.049 -8.270 -2.846 1.00 0.00 C ATOM 1208 C TRP A 80 3.130 -7.247 -3.154 1.00 0.00 C ATOM 1209 O TRP A 80 2.840 -6.168 -3.664 1.00 0.00 O ATOM 1210 CB TRP A 80 1.277 -8.651 -4.117 1.00 0.00 C ATOM 1211 CG TRP A 80 2.139 -9.141 -5.245 1.00 0.00 C ATOM 1212 CD1 TRP A 80 2.671 -10.390 -5.391 1.00 0.00 C ATOM 1213 CD2 TRP A 80 2.558 -8.390 -6.391 1.00 0.00 C ATOM 1214 NE1 TRP A 80 3.396 -10.459 -6.556 1.00 0.00 N ATOM 1215 CE2 TRP A 80 3.343 -9.245 -7.186 1.00 0.00 C ATOM 1216 CE3 TRP A 80 2.345 -7.077 -6.822 1.00 0.00 C ATOM 1217 CZ2 TRP A 80 3.913 -8.829 -8.388 1.00 0.00 C ATOM 1218 CZ3 TRP A 80 2.914 -6.666 -8.012 1.00 0.00 C ATOM 1219 CH2 TRP A 80 3.688 -7.539 -8.784 1.00 0.00 C ATOM 0 H TRP A 80 0.266 -7.362 -2.251 1.00 0.00 H new ATOM 0 HA TRP A 80 2.520 -9.171 -2.452 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.551 -9.425 -3.868 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.713 -7.783 -4.458 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.541 -11.204 -4.693 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.893 -11.282 -6.896 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.746 -6.396 -6.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.511 -9.501 -8.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.759 -5.653 -8.352 1.00 0.00 H new ATOM 0 HH2 TRP A 80 4.116 -7.188 -9.711 1.00 0.00 H new ATOM 1230 N ILE A 81 4.369 -7.576 -2.834 1.00 0.00 N ATOM 1231 CA ILE A 81 5.461 -6.643 -3.037 1.00 0.00 C ATOM 1232 C ILE A 81 6.014 -6.776 -4.454 1.00 0.00 C ATOM 1233 O ILE A 81 6.396 -7.864 -4.894 1.00 0.00 O ATOM 1234 CB ILE A 81 6.586 -6.835 -1.985 1.00 0.00 C ATOM 1235 CG1 ILE A 81 7.709 -5.815 -2.196 1.00 0.00 C ATOM 1236 CG2 ILE A 81 7.137 -8.254 -2.016 1.00 0.00 C ATOM 1237 CD1 ILE A 81 7.270 -4.383 -1.982 1.00 0.00 C ATOM 0 H ILE A 81 4.642 -8.475 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 81 5.067 -5.635 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 81 6.150 -6.667 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.528 -6.042 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.099 -5.920 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.923 -8.356 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.336 -8.960 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.547 -8.463 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.115 -3.715 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.471 -4.139 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.907 -4.262 -0.961 1.00 0.00 H new ATOM 1249 N ALA A 82 6.008 -5.665 -5.175 1.00 0.00 N ATOM 1250 CA ALA A 82 6.486 -5.637 -6.545 1.00 0.00 C ATOM 1251 C ALA A 82 7.998 -5.811 -6.592 1.00 0.00 C ATOM 1252 O ALA A 82 8.729 -5.144 -5.862 1.00 0.00 O ATOM 1253 CB ALA A 82 6.075 -4.335 -7.212 1.00 0.00 C ATOM 0 H ALA A 82 5.674 -4.766 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 82 6.035 -6.467 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.438 -4.322 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.988 -4.252 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.504 -3.495 -6.666 1.00 0.00 H new ATOM 1259 N PRO A 83 8.482 -6.723 -7.446 1.00 0.00 N ATOM 1260 CA PRO A 83 9.911 -7.001 -7.571 1.00 0.00 C ATOM 1261 C PRO A 83 10.658 -5.906 -8.332 1.00 0.00 C ATOM 1262 O PRO A 83 10.039 -5.007 -8.915 1.00 0.00 O ATOM 1263 CB PRO A 83 9.943 -8.315 -8.354 1.00 0.00 C ATOM 1264 CG PRO A 83 8.696 -8.301 -9.168 1.00 0.00 C ATOM 1265 CD PRO A 83 7.672 -7.554 -8.355 1.00 0.00 C ATOM 0 HA PRO A 83 10.403 -7.051 -6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.828 -8.377 -8.987 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.969 -9.175 -7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.863 -7.812 -10.128 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.359 -9.315 -9.381 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.027 -6.943 -8.987 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.024 -8.236 -7.803 1.00 0.00 H new ATOM 1273 N ARG A 84 11.986 -5.999 -8.321 1.00 0.00 N ATOM 1274 CA ARG A 84 12.851 -5.038 -9.004 1.00 0.00 C ATOM 1275 C ARG A 84 12.421 -4.815 -10.446 1.00 0.00 C ATOM 1276 O ARG A 84 12.369 -3.683 -10.902 1.00 0.00 O ATOM 1277 CB ARG A 84 14.305 -5.515 -8.987 1.00 0.00 C ATOM 1278 CG ARG A 84 15.008 -5.335 -7.653 1.00 0.00 C ATOM 1279 CD ARG A 84 15.277 -3.867 -7.358 1.00 0.00 C ATOM 1280 NE ARG A 84 16.058 -3.221 -8.418 1.00 0.00 N ATOM 1281 CZ ARG A 84 17.369 -2.983 -8.341 1.00 0.00 C ATOM 1282 NH1 ARG A 84 18.053 -3.343 -7.262 1.00 0.00 N ATOM 1283 NH2 ARG A 84 17.994 -2.377 -9.342 1.00 0.00 N ATOM 0 H ARG A 84 12.493 -6.742 -7.839 1.00 0.00 H new ATOM 0 HA ARG A 84 12.764 -4.095 -8.465 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.332 -6.570 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.861 -4.974 -9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.396 -5.761 -6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.949 -5.884 -7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.329 -3.343 -7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.811 -3.781 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 84 15.569 -2.936 -9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.577 -3.804 -6.487 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.055 -3.159 -7.208 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.473 -2.093 -10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.996 -2.195 -9.282 1.00 0.00 H new ATOM 1297 N GLN A 85 12.118 -5.899 -11.152 1.00 0.00 N ATOM 1298 CA GLN A 85 11.711 -5.825 -12.556 1.00 0.00 C ATOM 1299 C GLN A 85 10.603 -4.793 -12.765 1.00 0.00 C ATOM 1300 O GLN A 85 10.733 -3.875 -13.585 1.00 0.00 O ATOM 1301 CB GLN A 85 11.234 -7.195 -13.035 1.00 0.00 C ATOM 1302 CG GLN A 85 12.333 -8.242 -13.073 1.00 0.00 C ATOM 1303 CD GLN A 85 11.799 -9.644 -13.285 1.00 0.00 C ATOM 1304 OE1 GLN A 85 10.690 -9.970 -12.866 1.00 0.00 O ATOM 1305 NE2 GLN A 85 12.581 -10.481 -13.946 1.00 0.00 N ATOM 0 H GLN A 85 12.146 -6.846 -10.775 1.00 0.00 H new ATOM 0 HA GLN A 85 12.579 -5.514 -13.138 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.435 -7.542 -12.379 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.806 -7.093 -14.032 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.033 -7.999 -13.873 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.893 -8.209 -12.139 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.495 -10.172 -14.277 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.270 -11.436 -14.125 1.00 0.00 H new ATOM 1314 N LEU A 86 9.529 -4.931 -12.002 1.00 0.00 N ATOM 1315 CA LEU A 86 8.372 -4.063 -12.150 1.00 0.00 C ATOM 1316 C LEU A 86 8.668 -2.663 -11.618 1.00 0.00 C ATOM 1317 O LEU A 86 8.294 -1.662 -12.233 1.00 0.00 O ATOM 1318 CB LEU A 86 7.168 -4.660 -11.415 1.00 0.00 C ATOM 1319 CG LEU A 86 5.840 -3.935 -11.650 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.452 -4.002 -13.117 1.00 0.00 C ATOM 1321 CD2 LEU A 86 4.744 -4.535 -10.783 1.00 0.00 C ATOM 0 H LEU A 86 9.435 -5.638 -11.273 1.00 0.00 H new ATOM 0 HA LEU A 86 8.140 -3.983 -13.212 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.055 -5.700 -11.720 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.379 -4.662 -10.346 1.00 0.00 H new ATOM 0 HG LEU A 86 5.965 -2.888 -11.372 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.506 -3.482 -13.267 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.226 -3.528 -13.720 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.345 -5.044 -13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.808 -4.007 -10.963 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.620 -5.589 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.018 -4.439 -9.732 1.00 0.00 H new ATOM 1333 N ARG A 87 9.361 -2.599 -10.489 1.00 0.00 N ATOM 1334 CA ARG A 87 9.642 -1.326 -9.844 1.00 0.00 C ATOM 1335 C ARG A 87 10.635 -0.510 -10.670 1.00 0.00 C ATOM 1336 O ARG A 87 10.539 0.715 -10.739 1.00 0.00 O ATOM 1337 CB ARG A 87 10.181 -1.549 -8.428 1.00 0.00 C ATOM 1338 CG ARG A 87 9.981 -0.344 -7.520 1.00 0.00 C ATOM 1339 CD ARG A 87 9.746 -0.754 -6.075 1.00 0.00 C ATOM 1340 NE ARG A 87 10.873 -1.490 -5.510 1.00 0.00 N ATOM 1341 CZ ARG A 87 10.866 -2.054 -4.304 1.00 0.00 C ATOM 1342 NH1 ARG A 87 9.806 -1.928 -3.512 1.00 0.00 N ATOM 1343 NH2 ARG A 87 11.931 -2.722 -3.880 1.00 0.00 N ATOM 0 H ARG A 87 9.738 -3.413 -10.003 1.00 0.00 H new ATOM 0 HA ARG A 87 8.710 -0.765 -9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.685 -2.415 -7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.244 -1.784 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.857 0.302 -7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.132 0.240 -7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.560 0.136 -5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.849 -1.370 -6.017 1.00 0.00 H new ATOM 0 HE ARG A 87 11.718 -1.578 -6.074 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.994 -1.398 -3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.805 -2.362 -2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.754 -2.803 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.927 -3.155 -2.956 1.00 0.00 H new ATOM 1357 N GLU A 88 11.573 -1.201 -11.306 1.00 0.00 N ATOM 1358 CA GLU A 88 12.569 -0.556 -12.153 1.00 0.00 C ATOM 1359 C GLU A 88 11.896 0.049 -13.380 1.00 0.00 C ATOM 1360 O GLU A 88 12.264 1.136 -13.830 1.00 0.00 O ATOM 1361 CB GLU A 88 13.625 -1.571 -12.598 1.00 0.00 C ATOM 1362 CG GLU A 88 14.963 -0.951 -12.957 1.00 0.00 C ATOM 1363 CD GLU A 88 15.769 -0.569 -11.734 1.00 0.00 C ATOM 1364 OE1 GLU A 88 15.519 0.506 -11.157 1.00 0.00 O ATOM 1365 OE2 GLU A 88 16.661 -1.349 -11.343 1.00 0.00 O ATOM 0 H GLU A 88 11.665 -2.215 -11.250 1.00 0.00 H new ATOM 0 HA GLU A 88 13.054 0.234 -11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.775 -2.298 -11.800 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.247 -2.119 -13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.536 -1.655 -13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.797 -0.065 -13.571 1.00 0.00 H new ATOM 1372 N ALA A 89 10.907 -0.664 -13.912 1.00 0.00 N ATOM 1373 CA ALA A 89 10.163 -0.194 -15.075 1.00 0.00 C ATOM 1374 C ALA A 89 9.485 1.142 -14.789 1.00 0.00 C ATOM 1375 O ALA A 89 9.593 2.084 -15.574 1.00 0.00 O ATOM 1376 CB ALA A 89 9.135 -1.232 -15.498 1.00 0.00 C ATOM 0 H ALA A 89 10.603 -1.570 -13.555 1.00 0.00 H new ATOM 0 HA ALA A 89 10.869 -0.045 -15.892 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.587 -0.868 -16.367 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.641 -2.163 -15.752 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.439 -1.410 -14.678 1.00 0.00 H new ATOM 1382 N LEU A 90 8.802 1.223 -13.653 1.00 0.00 N ATOM 1383 CA LEU A 90 8.108 2.447 -13.271 1.00 0.00 C ATOM 1384 C LEU A 90 9.096 3.525 -12.831 1.00 0.00 C ATOM 1385 O LEU A 90 8.835 4.720 -12.982 1.00 0.00 O ATOM 1386 CB LEU A 90 7.090 2.169 -12.166 1.00 0.00 C ATOM 1387 CG LEU A 90 5.923 1.269 -12.582 1.00 0.00 C ATOM 1388 CD1 LEU A 90 4.962 1.071 -11.422 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.193 1.858 -13.781 1.00 0.00 C ATOM 0 H LEU A 90 8.714 0.459 -12.983 1.00 0.00 H new ATOM 0 HA LEU A 90 7.574 2.816 -14.147 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.605 1.707 -11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.690 3.119 -11.812 1.00 0.00 H new ATOM 0 HG LEU A 90 6.326 0.297 -12.867 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.139 0.429 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.488 0.605 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.568 2.037 -11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.367 1.204 -14.061 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.804 2.843 -13.522 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.884 1.949 -14.619 1.00 0.00 H new ATOM 1401 N ARG A 91 10.237 3.102 -12.303 1.00 0.00 N ATOM 1402 CA ARG A 91 11.307 4.031 -11.955 1.00 0.00 C ATOM 1403 C ARG A 91 11.799 4.756 -13.204 1.00 0.00 C ATOM 1404 O ARG A 91 12.113 5.946 -13.164 1.00 0.00 O ATOM 1405 CB ARG A 91 12.467 3.287 -11.289 1.00 0.00 C ATOM 1406 CG ARG A 91 13.684 4.159 -11.022 1.00 0.00 C ATOM 1407 CD ARG A 91 14.849 3.342 -10.494 1.00 0.00 C ATOM 1408 NE ARG A 91 16.092 4.109 -10.467 1.00 0.00 N ATOM 1409 CZ ARG A 91 17.253 3.667 -10.948 1.00 0.00 C ATOM 1410 NH1 ARG A 91 17.345 2.448 -11.465 1.00 0.00 N ATOM 1411 NH2 ARG A 91 18.326 4.443 -10.896 1.00 0.00 N ATOM 0 H ARG A 91 10.446 2.123 -12.106 1.00 0.00 H new ATOM 0 HA ARG A 91 10.914 4.764 -11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.121 2.864 -10.346 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.763 2.452 -11.924 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.980 4.664 -11.942 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.426 4.935 -10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.618 2.991 -9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.983 2.458 -11.117 1.00 0.00 H new ATOM 0 HE ARG A 91 16.070 5.041 -10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.524 1.844 -11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 91 18.237 2.116 -11.832 1.00 0.00 H new ATOM 0 HH21 ARG A 91 18.261 5.376 -10.488 1.00 0.00 H new ATOM 0 HH22 ARG A 91 19.216 4.107 -11.263 1.00 0.00 H new ATOM 1425 N GLY A 92 11.826 4.033 -14.321 1.00 0.00 N ATOM 1426 CA GLY A 92 12.294 4.595 -15.575 1.00 0.00 C ATOM 1427 C GLY A 92 11.370 5.666 -16.131 1.00 0.00 C ATOM 1428 O GLY A 92 11.734 6.378 -17.071 1.00 0.00 O ATOM 0 H GLY A 92 11.529 3.059 -14.378 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.286 5.021 -15.427 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.396 3.795 -16.309 1.00 0.00 H new ATOM 1432 N VAL A 93 10.172 5.781 -15.568 1.00 0.00 N ATOM 1433 CA VAL A 93 9.229 6.808 -15.993 1.00 0.00 C ATOM 1434 C VAL A 93 8.883 7.754 -14.843 1.00 0.00 C ATOM 1435 O VAL A 93 7.934 8.530 -14.937 1.00 0.00 O ATOM 1436 CB VAL A 93 7.934 6.200 -16.583 1.00 0.00 C ATOM 1437 CG1 VAL A 93 8.220 5.529 -17.916 1.00 0.00 C ATOM 1438 CG2 VAL A 93 7.300 5.210 -15.620 1.00 0.00 C ATOM 0 H VAL A 93 9.832 5.178 -14.819 1.00 0.00 H new ATOM 0 HA VAL A 93 9.724 7.377 -16.780 1.00 0.00 H new ATOM 0 HB VAL A 93 7.227 7.014 -16.743 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.298 5.107 -18.316 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.616 6.265 -18.616 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.951 4.733 -17.773 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.392 4.801 -16.064 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.001 4.401 -15.416 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.051 5.717 -14.688 1.00 0.00 H new ATOM 1448 N ASN A 94 9.679 7.689 -13.770 1.00 0.00 N ATOM 1449 CA ASN A 94 9.547 8.595 -12.615 1.00 0.00 C ATOM 1450 C ASN A 94 8.277 8.339 -11.810 1.00 0.00 C ATOM 1451 O ASN A 94 7.822 9.211 -11.070 1.00 0.00 O ATOM 1452 CB ASN A 94 9.586 10.067 -13.050 1.00 0.00 C ATOM 1453 CG ASN A 94 10.970 10.526 -13.458 1.00 0.00 C ATOM 1454 OD1 ASN A 94 11.754 10.992 -12.627 1.00 0.00 O ATOM 1455 ND2 ASN A 94 11.279 10.409 -14.739 1.00 0.00 N ATOM 0 H ASN A 94 10.433 7.009 -13.674 1.00 0.00 H new ATOM 0 HA ASN A 94 10.402 8.385 -11.973 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.900 10.212 -13.885 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.228 10.692 -12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.195 10.710 -15.072 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.601 10.018 -15.393 1.00 0.00 H new ATOM 1462 N VAL A 95 7.723 7.143 -11.927 1.00 0.00 N ATOM 1463 CA VAL A 95 6.526 6.797 -11.179 1.00 0.00 C ATOM 1464 C VAL A 95 6.898 6.071 -9.891 1.00 0.00 C ATOM 1465 O VAL A 95 7.456 4.972 -9.919 1.00 0.00 O ATOM 1466 CB VAL A 95 5.558 5.927 -12.012 1.00 0.00 C ATOM 1467 CG1 VAL A 95 4.361 5.500 -11.175 1.00 0.00 C ATOM 1468 CG2 VAL A 95 5.096 6.683 -13.249 1.00 0.00 C ATOM 0 H VAL A 95 8.080 6.400 -12.528 1.00 0.00 H new ATOM 0 HA VAL A 95 6.013 7.728 -10.936 1.00 0.00 H new ATOM 0 HB VAL A 95 6.091 5.031 -12.329 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.693 4.889 -11.781 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.704 4.921 -10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.827 6.384 -10.826 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.415 6.057 -13.825 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.582 7.596 -12.947 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.960 6.939 -13.863 1.00 0.00 H new ATOM 1478 N VAL A 96 6.606 6.705 -8.766 1.00 0.00 N ATOM 1479 CA VAL A 96 6.887 6.129 -7.462 1.00 0.00 C ATOM 1480 C VAL A 96 5.862 5.052 -7.134 1.00 0.00 C ATOM 1481 O VAL A 96 4.704 5.348 -6.849 1.00 0.00 O ATOM 1482 CB VAL A 96 6.875 7.204 -6.355 1.00 0.00 C ATOM 1483 CG1 VAL A 96 7.272 6.607 -5.013 1.00 0.00 C ATOM 1484 CG2 VAL A 96 7.796 8.357 -6.723 1.00 0.00 C ATOM 0 H VAL A 96 6.171 7.627 -8.731 1.00 0.00 H new ATOM 0 HA VAL A 96 7.884 5.689 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 96 5.859 7.589 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.256 7.385 -4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.569 5.819 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.276 6.189 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.775 9.106 -5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 96 8.813 7.985 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.460 8.807 -7.657 1.00 0.00 H new ATOM 1494 N LEU A 97 6.291 3.803 -7.203 1.00 0.00 N ATOM 1495 CA LEU A 97 5.406 2.676 -6.960 1.00 0.00 C ATOM 1496 C LEU A 97 5.370 2.307 -5.481 1.00 0.00 C ATOM 1497 O LEU A 97 6.390 1.938 -4.898 1.00 0.00 O ATOM 1498 CB LEU A 97 5.858 1.469 -7.787 1.00 0.00 C ATOM 1499 CG LEU A 97 5.020 0.202 -7.610 1.00 0.00 C ATOM 1500 CD1 LEU A 97 3.584 0.440 -8.048 1.00 0.00 C ATOM 1501 CD2 LEU A 97 5.631 -0.951 -8.388 1.00 0.00 C ATOM 0 H LEU A 97 7.252 3.543 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 97 4.399 2.967 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.847 1.747 -8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.892 1.240 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 97 5.014 -0.059 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.006 -0.474 -7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.147 1.237 -7.446 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.567 0.728 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.023 -1.845 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.668 -0.696 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.641 -1.140 -8.025 1.00 0.00 H new ATOM 1513 N ASP A 98 4.193 2.412 -4.883 1.00 0.00 N ATOM 1514 CA ASP A 98 3.992 1.986 -3.503 1.00 0.00 C ATOM 1515 C ASP A 98 2.823 1.015 -3.436 1.00 0.00 C ATOM 1516 O ASP A 98 1.733 1.309 -3.927 1.00 0.00 O ATOM 1517 CB ASP A 98 3.735 3.187 -2.586 1.00 0.00 C ATOM 1518 CG ASP A 98 3.576 2.783 -1.129 1.00 0.00 C ATOM 1519 OD1 ASP A 98 4.603 2.514 -0.464 1.00 0.00 O ATOM 1520 OD2 ASP A 98 2.429 2.725 -0.642 1.00 0.00 O ATOM 0 H ASP A 98 3.359 2.790 -5.332 1.00 0.00 H new ATOM 0 HA ASP A 98 4.899 1.489 -3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.561 3.892 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.835 3.706 -2.916 1.00 0.00 H new ATOM 1525 N THR A 99 3.056 -0.152 -2.864 1.00 0.00 N ATOM 1526 CA THR A 99 2.015 -1.159 -2.758 1.00 0.00 C ATOM 1527 C THR A 99 1.490 -1.229 -1.328 1.00 0.00 C ATOM 1528 O THR A 99 2.262 -1.400 -0.383 1.00 0.00 O ATOM 1529 CB THR A 99 2.539 -2.538 -3.188 1.00 0.00 C ATOM 1530 OG1 THR A 99 3.330 -2.401 -4.376 1.00 0.00 O ATOM 1531 CG2 THR A 99 1.385 -3.491 -3.454 1.00 0.00 C ATOM 0 H THR A 99 3.954 -0.426 -2.466 1.00 0.00 H new ATOM 0 HA THR A 99 1.201 -0.874 -3.425 1.00 0.00 H new ATOM 0 HB THR A 99 3.150 -2.946 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 99 3.665 -3.280 -4.649 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.777 -4.462 -3.757 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.792 -3.607 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.757 -3.089 -4.249 1.00 0.00 H new ATOM 1539 N MET A 100 0.181 -1.096 -1.172 1.00 0.00 N ATOM 1540 CA MET A 100 -0.420 -1.032 0.148 1.00 0.00 C ATOM 1541 C MET A 100 -1.721 -1.833 0.190 1.00 0.00 C ATOM 1542 O MET A 100 -2.339 -2.082 -0.845 1.00 0.00 O ATOM 1543 CB MET A 100 -0.677 0.434 0.515 1.00 0.00 C ATOM 1544 CG MET A 100 -1.052 0.653 1.968 1.00 0.00 C ATOM 1545 SD MET A 100 0.226 0.093 3.112 1.00 0.00 S ATOM 1546 CE MET A 100 1.598 1.140 2.627 1.00 0.00 C ATOM 0 H MET A 100 -0.483 -1.031 -1.943 1.00 0.00 H new ATOM 0 HA MET A 100 0.264 -1.471 0.874 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.217 1.016 0.290 1.00 0.00 H new ATOM 0 HB3 MET A 100 -1.476 0.821 -0.117 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.242 1.713 2.134 1.00 0.00 H new ATOM 0 HG3 MET A 100 -1.981 0.125 2.182 1.00 0.00 H new ATOM 0 HE1 MET A 100 2.345 1.152 3.421 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.047 0.751 1.713 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.238 2.154 2.452 1.00 0.00 H new ATOM 1556 N GLN A 101 -2.114 -2.260 1.384 1.00 0.00 N ATOM 1557 CA GLN A 101 -3.365 -2.990 1.567 1.00 0.00 C ATOM 1558 C GLN A 101 -4.543 -2.029 1.682 1.00 0.00 C ATOM 1559 O GLN A 101 -4.345 -0.831 1.874 1.00 0.00 O ATOM 1560 CB GLN A 101 -3.277 -3.880 2.801 1.00 0.00 C ATOM 1561 CG GLN A 101 -2.358 -5.072 2.608 1.00 0.00 C ATOM 1562 CD GLN A 101 -2.074 -5.799 3.901 1.00 0.00 C ATOM 1563 OE1 GLN A 101 -2.812 -6.702 4.296 1.00 0.00 O ATOM 1564 NE2 GLN A 101 -1.003 -5.414 4.566 1.00 0.00 N ATOM 0 H GLN A 101 -1.584 -2.113 2.243 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.528 -3.619 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -2.923 -3.288 3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.275 -4.235 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -2.810 -5.764 1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -1.418 -4.735 2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.420 -4.661 4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.758 -5.869 5.445 1.00 0.00 H new ATOM 1573 N THR A 102 -5.754 -2.580 1.594 1.00 0.00 N ATOM 1574 CA THR A 102 -6.992 -1.800 1.484 1.00 0.00 C ATOM 1575 C THR A 102 -7.054 -0.605 2.443 1.00 0.00 C ATOM 1576 O THR A 102 -7.079 0.543 1.997 1.00 0.00 O ATOM 1577 CB THR A 102 -8.213 -2.698 1.745 1.00 0.00 C ATOM 1578 OG1 THR A 102 -8.077 -3.927 1.023 1.00 0.00 O ATOM 1579 CG2 THR A 102 -9.500 -2.002 1.327 1.00 0.00 C ATOM 0 H THR A 102 -5.907 -3.588 1.597 1.00 0.00 H new ATOM 0 HA THR A 102 -7.003 -1.407 0.467 1.00 0.00 H new ATOM 0 HB THR A 102 -8.262 -2.904 2.814 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.857 -4.495 1.194 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.348 -2.658 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.616 -1.080 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 102 -9.459 -1.769 0.263 1.00 0.00 H new ATOM 1587 N GLY A 103 -7.073 -0.885 3.746 1.00 0.00 N ATOM 1588 CA GLY A 103 -7.265 0.158 4.745 1.00 0.00 C ATOM 1589 C GLY A 103 -6.301 1.324 4.601 1.00 0.00 C ATOM 1590 O GLY A 103 -6.715 2.437 4.262 1.00 0.00 O ATOM 0 H GLY A 103 -6.958 -1.823 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.287 0.532 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.151 -0.276 5.738 1.00 0.00 H new ATOM 1594 N PRO A 104 -5.001 1.102 4.855 1.00 0.00 N ATOM 1595 CA PRO A 104 -3.983 2.150 4.748 1.00 0.00 C ATOM 1596 C PRO A 104 -3.951 2.811 3.367 1.00 0.00 C ATOM 1597 O PRO A 104 -3.613 3.990 3.249 1.00 0.00 O ATOM 1598 CB PRO A 104 -2.662 1.420 5.030 1.00 0.00 C ATOM 1599 CG PRO A 104 -2.976 -0.036 4.927 1.00 0.00 C ATOM 1600 CD PRO A 104 -4.423 -0.177 5.291 1.00 0.00 C ATOM 0 HA PRO A 104 -4.183 2.966 5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.895 1.707 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.280 1.669 6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.791 -0.404 3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.347 -0.619 5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.886 -1.023 4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.556 -0.336 6.361 1.00 0.00 H new ATOM 1608 N ALA A 105 -4.314 2.056 2.331 1.00 0.00 N ATOM 1609 CA ALA A 105 -4.335 2.582 0.969 1.00 0.00 C ATOM 1610 C ALA A 105 -5.380 3.679 0.826 1.00 0.00 C ATOM 1611 O ALA A 105 -5.088 4.758 0.310 1.00 0.00 O ATOM 1612 CB ALA A 105 -4.604 1.468 -0.031 1.00 0.00 C ATOM 0 H ALA A 105 -4.597 1.079 2.410 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.355 3.011 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.616 1.880 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.820 0.714 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.569 1.010 0.185 1.00 0.00 H new ATOM 1618 N ILE A 106 -6.589 3.402 1.303 1.00 0.00 N ATOM 1619 CA ILE A 106 -7.688 4.357 1.215 1.00 0.00 C ATOM 1620 C ILE A 106 -7.338 5.651 1.944 1.00 0.00 C ATOM 1621 O ILE A 106 -7.567 6.748 1.428 1.00 0.00 O ATOM 1622 CB ILE A 106 -8.996 3.775 1.800 1.00 0.00 C ATOM 1623 CG1 ILE A 106 -9.381 2.491 1.060 1.00 0.00 C ATOM 1624 CG2 ILE A 106 -10.123 4.798 1.720 1.00 0.00 C ATOM 1625 CD1 ILE A 106 -10.613 1.809 1.618 1.00 0.00 C ATOM 0 H ILE A 106 -6.833 2.521 1.756 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.846 4.568 0.157 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.829 3.535 2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -9.552 2.726 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -8.543 1.795 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -11.034 4.369 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -9.848 5.687 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.294 5.071 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.822 0.908 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -10.440 1.542 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -11.464 2.486 1.554 1.00 0.00 H new ATOM 1637 N ARG A 107 -6.763 5.515 3.134 1.00 0.00 N ATOM 1638 CA ARG A 107 -6.371 6.676 3.927 1.00 0.00 C ATOM 1639 C ARG A 107 -5.319 7.496 3.192 1.00 0.00 C ATOM 1640 O ARG A 107 -5.466 8.707 3.020 1.00 0.00 O ATOM 1641 CB ARG A 107 -5.810 6.252 5.283 1.00 0.00 C ATOM 1642 CG ARG A 107 -6.699 5.296 6.054 1.00 0.00 C ATOM 1643 CD ARG A 107 -6.149 5.036 7.446 1.00 0.00 C ATOM 1644 NE ARG A 107 -4.718 4.718 7.427 1.00 0.00 N ATOM 1645 CZ ARG A 107 -4.193 3.604 7.932 1.00 0.00 C ATOM 1646 NH1 ARG A 107 -4.983 2.636 8.376 1.00 0.00 N ATOM 1647 NH2 ARG A 107 -2.876 3.447 7.950 1.00 0.00 N ATOM 0 H ARG A 107 -6.558 4.616 3.570 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.264 7.281 4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.838 5.783 5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.643 7.143 5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.704 5.710 6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.782 4.354 5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.316 5.914 8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.696 4.211 7.903 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.084 5.393 7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.996 2.744 8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.577 1.784 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.270 4.178 7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.469 2.595 8.336 1.00 0.00 H new ATOM 1661 N THR A 108 -4.263 6.825 2.750 1.00 0.00 N ATOM 1662 CA THR A 108 -3.150 7.492 2.092 1.00 0.00 C ATOM 1663 C THR A 108 -3.598 8.169 0.796 1.00 0.00 C ATOM 1664 O THR A 108 -3.190 9.291 0.505 1.00 0.00 O ATOM 1665 CB THR A 108 -2.005 6.501 1.794 1.00 0.00 C ATOM 1666 OG1 THR A 108 -1.658 5.786 2.992 1.00 0.00 O ATOM 1667 CG2 THR A 108 -0.776 7.226 1.264 1.00 0.00 C ATOM 0 H THR A 108 -4.155 5.814 2.837 1.00 0.00 H new ATOM 0 HA THR A 108 -2.782 8.257 2.776 1.00 0.00 H new ATOM 0 HB THR A 108 -2.350 5.803 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.371 5.151 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 108 0.014 6.503 1.063 1.00 0.00 H new ATOM 0 HG22 THR A 108 -1.032 7.750 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 108 -0.430 7.945 2.006 1.00 0.00 H new ATOM 1675 N TYR A 109 -4.453 7.491 0.034 1.00 0.00 N ATOM 1676 CA TYR A 109 -4.943 8.032 -1.228 1.00 0.00 C ATOM 1677 C TYR A 109 -5.707 9.333 -1.007 1.00 0.00 C ATOM 1678 O TYR A 109 -5.387 10.353 -1.615 1.00 0.00 O ATOM 1679 CB TYR A 109 -5.836 7.015 -1.945 1.00 0.00 C ATOM 1680 CG TYR A 109 -6.449 7.545 -3.223 1.00 0.00 C ATOM 1681 CD1 TYR A 109 -5.655 7.859 -4.320 1.00 0.00 C ATOM 1682 CD2 TYR A 109 -7.820 7.744 -3.329 1.00 0.00 C ATOM 1683 CE1 TYR A 109 -6.210 8.352 -5.485 1.00 0.00 C ATOM 1684 CE2 TYR A 109 -8.382 8.240 -4.489 1.00 0.00 C ATOM 1685 CZ TYR A 109 -7.574 8.541 -5.565 1.00 0.00 C ATOM 1686 OH TYR A 109 -8.129 9.042 -6.719 1.00 0.00 O ATOM 0 H TYR A 109 -4.819 6.568 0.269 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.077 8.243 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.249 6.126 -2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.634 6.705 -1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -4.586 7.715 -4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -8.457 7.507 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -5.579 8.588 -6.329 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -9.449 8.391 -4.553 1.00 0.00 H new ATOM 0 HH TYR A 109 -9.100 9.113 -6.611 1.00 0.00 H new ATOM 1696 N ASN A 110 -6.698 9.298 -0.121 1.00 0.00 N ATOM 1697 CA ASN A 110 -7.534 10.469 0.147 1.00 0.00 C ATOM 1698 C ASN A 110 -6.696 11.657 0.603 1.00 0.00 C ATOM 1699 O ASN A 110 -6.914 12.789 0.164 1.00 0.00 O ATOM 1700 CB ASN A 110 -8.595 10.154 1.205 1.00 0.00 C ATOM 1701 CG ASN A 110 -9.724 9.292 0.675 1.00 0.00 C ATOM 1702 OD1 ASN A 110 -10.065 9.346 -0.506 1.00 0.00 O ATOM 1703 ND2 ASN A 110 -10.328 8.505 1.551 1.00 0.00 N ATOM 0 H ASN A 110 -6.944 8.472 0.425 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.030 10.731 -0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.122 9.647 2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.007 11.088 1.587 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.106 7.915 1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.016 8.488 2.522 1.00 0.00 H new ATOM 1710 N ILE A 111 -5.731 11.394 1.474 1.00 0.00 N ATOM 1711 CA ILE A 111 -4.877 12.446 2.008 1.00 0.00 C ATOM 1712 C ILE A 111 -3.932 12.981 0.935 1.00 0.00 C ATOM 1713 O ILE A 111 -3.782 14.195 0.774 1.00 0.00 O ATOM 1714 CB ILE A 111 -4.059 11.940 3.216 1.00 0.00 C ATOM 1715 CG1 ILE A 111 -5.001 11.524 4.350 1.00 0.00 C ATOM 1716 CG2 ILE A 111 -3.086 13.010 3.694 1.00 0.00 C ATOM 1717 CD1 ILE A 111 -4.292 10.927 5.546 1.00 0.00 C ATOM 0 H ILE A 111 -5.520 10.460 1.826 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.527 13.255 2.340 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.479 11.071 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.570 12.395 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.719 10.799 3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.520 12.633 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.400 13.265 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.641 13.899 3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.025 10.658 6.306 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.745 10.036 5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.594 11.657 5.957 1.00 0.00 H new ATOM 1729 N MET A 112 -3.323 12.075 0.184 1.00 0.00 N ATOM 1730 CA MET A 112 -2.353 12.453 -0.837 1.00 0.00 C ATOM 1731 C MET A 112 -3.035 13.225 -1.970 1.00 0.00 C ATOM 1732 O MET A 112 -2.428 14.096 -2.600 1.00 0.00 O ATOM 1733 CB MET A 112 -1.653 11.206 -1.382 1.00 0.00 C ATOM 1734 CG MET A 112 -0.325 11.495 -2.062 1.00 0.00 C ATOM 1735 SD MET A 112 0.918 12.128 -0.921 1.00 0.00 S ATOM 1736 CE MET A 112 1.054 10.765 0.234 1.00 0.00 C ATOM 0 H MET A 112 -3.483 11.071 0.262 1.00 0.00 H new ATOM 0 HA MET A 112 -1.606 13.105 -0.384 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.486 10.507 -0.562 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.314 10.711 -2.093 1.00 0.00 H new ATOM 0 HG2 MET A 112 0.046 10.582 -2.527 1.00 0.00 H new ATOM 0 HG3 MET A 112 -0.481 12.219 -2.861 1.00 0.00 H new ATOM 0 HE1 MET A 112 2.095 10.644 0.533 1.00 0.00 H new ATOM 0 HE2 MET A 112 0.446 10.972 1.114 1.00 0.00 H new ATOM 0 HE3 MET A 112 0.704 9.849 -0.242 1.00 0.00 H new ATOM 1746 N ILE A 113 -4.301 12.896 -2.225 1.00 0.00 N ATOM 1747 CA ILE A 113 -5.114 13.637 -3.185 1.00 0.00 C ATOM 1748 C ILE A 113 -5.427 15.030 -2.649 1.00 0.00 C ATOM 1749 O ILE A 113 -5.351 16.015 -3.381 1.00 0.00 O ATOM 1750 CB ILE A 113 -6.432 12.891 -3.514 1.00 0.00 C ATOM 1751 CG1 ILE A 113 -6.150 11.675 -4.398 1.00 0.00 C ATOM 1752 CG2 ILE A 113 -7.442 13.814 -4.189 1.00 0.00 C ATOM 1753 CD1 ILE A 113 -5.574 12.026 -5.756 1.00 0.00 C ATOM 0 H ILE A 113 -4.786 12.118 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.537 13.724 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.866 12.552 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.456 11.014 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.076 11.118 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.354 13.258 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.673 14.647 -3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.021 14.197 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.401 11.113 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.276 12.662 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.631 12.556 -5.625 1.00 0.00 H new ATOM 1765 N GLY A 114 -5.748 15.102 -1.361 1.00 0.00 N ATOM 1766 CA GLY A 114 -6.052 16.376 -0.737 1.00 0.00 C ATOM 1767 C GLY A 114 -4.886 17.341 -0.804 1.00 0.00 C ATOM 1768 O GLY A 114 -5.065 18.524 -1.097 1.00 0.00 O ATOM 0 H GLY A 114 -5.803 14.297 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.918 16.821 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.325 16.212 0.305 1.00 0.00 H new ATOM 1772 N GLU A 115 -3.686 16.830 -0.550 1.00 0.00 N ATOM 1773 CA GLU A 115 -2.476 17.642 -0.622 1.00 0.00 C ATOM 1774 C GLU A 115 -1.992 17.772 -2.068 1.00 0.00 C ATOM 1775 O GLU A 115 -1.025 18.480 -2.350 1.00 0.00 O ATOM 1776 CB GLU A 115 -1.385 17.042 0.269 1.00 0.00 C ATOM 1777 CG GLU A 115 -1.760 17.033 1.746 1.00 0.00 C ATOM 1778 CD GLU A 115 -0.651 16.514 2.638 1.00 0.00 C ATOM 1779 OE1 GLU A 115 0.395 17.185 2.743 1.00 0.00 O ATOM 1780 OE2 GLU A 115 -0.823 15.438 3.251 1.00 0.00 O ATOM 0 H GLU A 115 -3.525 15.856 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.707 18.643 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.180 16.021 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -0.463 17.609 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -2.022 18.045 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.648 16.417 1.885 1.00 0.00 H new ATOM 1787 N ARG A 116 -2.686 17.077 -2.973 1.00 0.00 N ATOM 1788 CA ARG A 116 -2.443 17.168 -4.417 1.00 0.00 C ATOM 1789 C ARG A 116 -0.989 16.870 -4.772 1.00 0.00 C ATOM 1790 O ARG A 116 -0.361 17.601 -5.538 1.00 0.00 O ATOM 1791 CB ARG A 116 -2.849 18.551 -4.937 1.00 0.00 C ATOM 1792 CG ARG A 116 -4.305 18.886 -4.660 1.00 0.00 C ATOM 1793 CD ARG A 116 -4.711 20.224 -5.259 1.00 0.00 C ATOM 1794 NE ARG A 116 -6.084 20.572 -4.895 1.00 0.00 N ATOM 1795 CZ ARG A 116 -6.891 21.337 -5.628 1.00 0.00 C ATOM 1796 NH1 ARG A 116 -6.476 21.849 -6.780 1.00 0.00 N ATOM 1797 NH2 ARG A 116 -8.123 21.586 -5.204 1.00 0.00 N ATOM 0 H ARG A 116 -3.436 16.432 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 116 -3.057 16.409 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -2.214 19.307 -4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -2.670 18.596 -6.011 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.941 18.100 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.473 18.906 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.032 21.002 -4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -4.619 20.182 -6.344 1.00 0.00 H new ATOM 0 HE ARG A 116 -6.450 20.203 -4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -5.531 21.658 -7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -7.102 22.434 -7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.448 21.192 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -8.746 22.171 -5.761 1.00 0.00 H new ATOM 1811 N ARG A 117 -0.467 15.772 -4.243 1.00 0.00 N ATOM 1812 CA ARG A 117 0.922 15.401 -4.482 1.00 0.00 C ATOM 1813 C ARG A 117 1.055 14.467 -5.686 1.00 0.00 C ATOM 1814 O ARG A 117 1.923 13.594 -5.712 1.00 0.00 O ATOM 1815 CB ARG A 117 1.525 14.766 -3.229 1.00 0.00 C ATOM 1816 CG ARG A 117 1.696 15.759 -2.087 1.00 0.00 C ATOM 1817 CD ARG A 117 2.346 15.126 -0.869 1.00 0.00 C ATOM 1818 NE ARG A 117 3.647 14.534 -1.180 1.00 0.00 N ATOM 1819 CZ ARG A 117 4.808 14.994 -0.710 1.00 0.00 C ATOM 1820 NH1 ARG A 117 4.842 16.103 0.022 1.00 0.00 N ATOM 1821 NH2 ARG A 117 5.936 14.357 -0.992 1.00 0.00 N ATOM 0 H ARG A 117 -0.982 15.124 -3.647 1.00 0.00 H new ATOM 0 HA ARG A 117 1.478 16.310 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 117 0.886 13.947 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 117 2.495 14.334 -3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 117 2.303 16.599 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 117 0.722 16.162 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 117 2.469 15.880 -0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 117 1.686 14.358 -0.466 1.00 0.00 H new ATOM 0 HE ARG A 117 3.668 13.720 -1.794 1.00 0.00 H new ATOM 0 HH11 ARG A 117 3.978 16.606 0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.732 16.451 0.379 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.916 13.516 -1.568 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.824 14.708 -0.633 1.00 0.00 H new ATOM 1835 N ARG A 118 0.189 14.675 -6.683 1.00 0.00 N ATOM 1836 CA ARG A 118 0.292 13.997 -7.982 1.00 0.00 C ATOM 1837 C ARG A 118 0.219 12.476 -7.836 1.00 0.00 C ATOM 1838 O ARG A 118 1.011 11.743 -8.436 1.00 0.00 O ATOM 1839 CB ARG A 118 1.605 14.393 -8.674 1.00 0.00 C ATOM 1840 CG ARG A 118 1.868 15.891 -8.680 1.00 0.00 C ATOM 1841 CD ARG A 118 3.225 16.227 -9.282 1.00 0.00 C ATOM 1842 NE ARG A 118 4.323 15.485 -8.650 1.00 0.00 N ATOM 1843 CZ ARG A 118 5.085 15.960 -7.661 1.00 0.00 C ATOM 1844 NH1 ARG A 118 4.796 17.121 -7.086 1.00 0.00 N ATOM 1845 NH2 ARG A 118 6.117 15.249 -7.219 1.00 0.00 N ATOM 0 H ARG A 118 -0.601 15.316 -6.614 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.555 14.313 -8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 118 2.434 13.890 -8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 118 1.586 14.033 -9.703 1.00 0.00 H new ATOM 0 HG2 ARG A 118 1.085 16.395 -9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.819 16.272 -7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.209 16.006 -10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.409 17.297 -9.180 1.00 0.00 H new ATOM 0 HE ARG A 118 4.517 14.543 -8.989 1.00 0.00 H new ATOM 0 HH11 ARG A 118 3.987 17.658 -7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.383 17.477 -6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 118 6.327 14.342 -7.635 1.00 0.00 H new ATOM 0 HH22 ARG A 118 6.700 15.611 -6.464 1.00 0.00 H new ATOM 1859 N VAL A 119 -0.746 12.001 -7.066 1.00 0.00 N ATOM 1860 CA VAL A 119 -0.858 10.578 -6.783 1.00 0.00 C ATOM 1861 C VAL A 119 -2.024 9.947 -7.545 1.00 0.00 C ATOM 1862 O VAL A 119 -3.041 10.596 -7.796 1.00 0.00 O ATOM 1863 CB VAL A 119 -1.035 10.331 -5.267 1.00 0.00 C ATOM 1864 CG1 VAL A 119 -2.377 10.858 -4.783 1.00 0.00 C ATOM 1865 CG2 VAL A 119 -0.877 8.856 -4.930 1.00 0.00 C ATOM 0 H VAL A 119 -1.463 12.578 -6.626 1.00 0.00 H new ATOM 0 HA VAL A 119 0.068 10.109 -7.116 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.250 10.879 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.477 10.672 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.437 11.930 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.181 10.350 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.006 8.712 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.629 8.278 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.118 8.520 -5.224 1.00 0.00 H new ATOM 1875 N ALA A 120 -1.852 8.692 -7.928 1.00 0.00 N ATOM 1876 CA ALA A 120 -2.914 7.910 -8.542 1.00 0.00 C ATOM 1877 C ALA A 120 -3.022 6.565 -7.833 1.00 0.00 C ATOM 1878 O ALA A 120 -2.044 6.092 -7.250 1.00 0.00 O ATOM 1879 CB ALA A 120 -2.649 7.718 -10.027 1.00 0.00 C ATOM 0 H ALA A 120 -0.972 8.186 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 120 -3.859 8.444 -8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.455 7.131 -10.467 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.600 8.691 -10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.702 7.195 -10.163 1.00 0.00 H new ATOM 1885 N ALA A 121 -4.195 5.954 -7.871 1.00 0.00 N ATOM 1886 CA ALA A 121 -4.410 4.704 -7.156 1.00 0.00 C ATOM 1887 C ALA A 121 -4.846 3.584 -8.089 1.00 0.00 C ATOM 1888 O ALA A 121 -5.784 3.735 -8.872 1.00 0.00 O ATOM 1889 CB ALA A 121 -5.439 4.893 -6.053 1.00 0.00 C ATOM 0 H ALA A 121 -5.007 6.298 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.457 4.416 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.588 3.949 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.084 5.647 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.384 5.219 -6.489 1.00 0.00 H new ATOM 1895 N ALA A 122 -4.156 2.462 -7.994 1.00 0.00 N ATOM 1896 CA ALA A 122 -4.529 1.262 -8.721 1.00 0.00 C ATOM 1897 C ALA A 122 -5.025 0.223 -7.730 1.00 0.00 C ATOM 1898 O ALA A 122 -4.232 -0.445 -7.067 1.00 0.00 O ATOM 1899 CB ALA A 122 -3.347 0.730 -9.518 1.00 0.00 C ATOM 0 H ALA A 122 -3.324 2.357 -7.413 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.324 1.495 -9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.646 -0.170 -10.056 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.019 1.487 -10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.528 0.491 -8.839 1.00 0.00 H new ATOM 1905 N LEU A 123 -6.334 0.108 -7.603 1.00 0.00 N ATOM 1906 CA LEU A 123 -6.917 -0.724 -6.564 1.00 0.00 C ATOM 1907 C LEU A 123 -7.442 -2.037 -7.125 1.00 0.00 C ATOM 1908 O LEU A 123 -8.305 -2.051 -8.007 1.00 0.00 O ATOM 1909 CB LEU A 123 -8.041 0.029 -5.848 1.00 0.00 C ATOM 1910 CG LEU A 123 -7.610 1.306 -5.122 1.00 0.00 C ATOM 1911 CD1 LEU A 123 -8.803 1.971 -4.459 1.00 0.00 C ATOM 1912 CD2 LEU A 123 -6.529 1.001 -4.094 1.00 0.00 C ATOM 0 H LEU A 123 -7.012 0.578 -8.203 1.00 0.00 H new ATOM 0 HA LEU A 123 -6.129 -0.958 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.807 0.287 -6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.503 -0.643 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.197 1.995 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -8.477 2.877 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.544 2.228 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -9.246 1.286 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.237 1.922 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.914 0.292 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -5.662 0.571 -4.595 1.00 0.00 H new ATOM 1924 N ILE A 124 -6.903 -3.132 -6.610 1.00 0.00 N ATOM 1925 CA ILE A 124 -7.363 -4.463 -6.965 1.00 0.00 C ATOM 1926 C ILE A 124 -8.114 -5.073 -5.783 1.00 0.00 C ATOM 1927 O ILE A 124 -7.719 -4.900 -4.628 1.00 0.00 O ATOM 1928 CB ILE A 124 -6.181 -5.376 -7.371 1.00 0.00 C ATOM 1929 CG1 ILE A 124 -5.424 -4.765 -8.557 1.00 0.00 C ATOM 1930 CG2 ILE A 124 -6.672 -6.776 -7.718 1.00 0.00 C ATOM 1931 CD1 ILE A 124 -4.226 -5.574 -9.002 1.00 0.00 C ATOM 0 H ILE A 124 -6.137 -3.122 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 124 -8.031 -4.380 -7.822 1.00 0.00 H new ATOM 0 HB ILE A 124 -5.501 -5.456 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.110 -4.658 -9.397 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.093 -3.762 -8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -5.824 -7.400 -8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -7.171 -7.212 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -7.374 -6.720 -8.550 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.744 -5.077 -9.844 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.518 -5.660 -8.178 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.551 -6.569 -9.306 1.00 0.00 H new ATOM 1943 N ALA A 125 -9.207 -5.758 -6.072 1.00 0.00 N ATOM 1944 CA ALA A 125 -10.034 -6.349 -5.036 1.00 0.00 C ATOM 1945 C ALA A 125 -9.789 -7.845 -4.927 1.00 0.00 C ATOM 1946 O ALA A 125 -9.006 -8.415 -5.686 1.00 0.00 O ATOM 1947 CB ALA A 125 -11.502 -6.075 -5.318 1.00 0.00 C ATOM 0 H ALA A 125 -9.543 -5.919 -7.022 1.00 0.00 H new ATOM 0 HA ALA A 125 -9.764 -5.892 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -12.113 -6.523 -4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -11.673 -4.999 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -11.774 -6.506 -6.281 1.00 0.00 H new ATOM 1953 N VAL A 126 -10.466 -8.478 -3.982 1.00 0.00 N ATOM 1954 CA VAL A 126 -10.338 -9.909 -3.785 1.00 0.00 C ATOM 1955 C VAL A 126 -11.359 -10.664 -4.633 1.00 0.00 C ATOM 1956 O VAL A 126 -12.531 -10.282 -4.701 1.00 0.00 O ATOM 1957 CB VAL A 126 -10.505 -10.292 -2.298 1.00 0.00 C ATOM 1958 CG1 VAL A 126 -9.347 -9.744 -1.475 1.00 0.00 C ATOM 1959 CG2 VAL A 126 -11.832 -9.788 -1.748 1.00 0.00 C ATOM 0 H VAL A 126 -11.111 -8.020 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 126 -9.334 -10.193 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 126 -10.501 -11.380 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -9.480 -10.023 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -8.409 -10.159 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -9.322 -8.658 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -11.923 -10.072 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -11.873 -8.702 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -12.652 -10.229 -2.315 1.00 0.00 H new