USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 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 65 LYS NZ :NH3+ -106:sc= 0.326 (180deg=-0.0321) USER MOD Set 1.2: A 127 TYR OH : rot 180:sc= 0.301 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -9.39! C(o=-9.4!,f=-5.4!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.09 K(o=-1.1,f=-5!) USER MOD Single : A 90 MET CE :methyl 139:sc= -0.439 (180deg=-1.27) USER MOD Single : A 95 ASN : amide:sc= -0.765 X(o=-0.76,f=-0.79!) USER MOD Single : A 96 GLN : amide:sc=-0.00577 K(o=-0.0058,f=-1.5!) USER MOD Single : A 103 THR OG1 : rot -160:sc= -0.513 USER MOD Single : A 109 THR OG1 : rot 80:sc= 0.00893 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.44 X(o=-0.44,f=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-6.1!) USER MOD Single : A 123 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.7!) USER MOD Single : A 124 GLN : amide:sc= -0.61 K(o=-0.61,f=-1.8) USER MOD Single : A 129 GLN : amide:sc= -1.76! C(o=-1.8!,f=-4.7!) USER MOD Single : A 130 TYR OH : rot 150:sc= -0.0273 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N SER A 58 -1.524 11.170 1.532 1.00 0.00 N ATOM 161 CA SER A 58 -0.151 10.872 1.922 1.00 0.00 C ATOM 162 C SER A 58 0.554 10.052 0.846 1.00 0.00 C ATOM 163 O SER A 58 -0.085 9.318 0.091 1.00 0.00 O ATOM 164 CB SER A 58 -0.129 10.115 3.252 1.00 0.00 C ATOM 165 OG SER A 58 1.175 10.094 3.805 1.00 0.00 O ATOM 0 HA SER A 58 0.380 11.817 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.817 10.586 3.954 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.479 9.094 3.099 1.00 0.00 H new ATOM 0 HG SER A 58 1.162 9.606 4.655 1.00 0.00 H new ATOM 171 N ARG A 59 1.875 10.184 0.780 1.00 0.00 N ATOM 172 CA ARG A 59 2.667 9.456 -0.204 1.00 0.00 C ATOM 173 C ARG A 59 2.984 8.047 0.286 1.00 0.00 C ATOM 174 O ARG A 59 3.915 7.404 -0.198 1.00 0.00 O ATOM 175 CB ARG A 59 3.966 10.208 -0.501 1.00 0.00 C ATOM 176 CG ARG A 59 4.878 10.347 0.708 1.00 0.00 C ATOM 177 CD ARG A 59 6.297 10.708 0.296 1.00 0.00 C ATOM 178 NE ARG A 59 7.021 11.388 1.366 1.00 0.00 N ATOM 179 CZ ARG A 59 8.108 12.125 1.164 1.00 0.00 C ATOM 180 NH1 ARG A 59 8.593 12.276 -0.061 1.00 0.00 N ATOM 181 NH2 ARG A 59 8.712 12.713 2.189 1.00 0.00 N ATOM 0 H ARG A 59 2.419 10.788 1.396 1.00 0.00 H new ATOM 0 HA ARG A 59 2.081 9.380 -1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.504 9.688 -1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.723 11.201 -0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.485 11.114 1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.887 9.412 1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.834 9.802 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.267 11.349 -0.585 1.00 0.00 H new ATOM 0 HE ARG A 59 6.674 11.292 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.131 11.826 -0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.428 12.842 -0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.342 12.599 3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.546 13.279 2.033 1.00 0.00 H new ATOM 195 N VAL A 60 2.201 7.572 1.251 1.00 0.00 N ATOM 196 CA VAL A 60 2.397 6.238 1.807 1.00 0.00 C ATOM 197 C VAL A 60 1.084 5.465 1.858 1.00 0.00 C ATOM 198 O VAL A 60 0.113 5.909 2.471 1.00 0.00 O ATOM 199 CB VAL A 60 2.996 6.303 3.224 1.00 0.00 C ATOM 200 CG1 VAL A 60 3.156 4.906 3.802 1.00 0.00 C ATOM 201 CG2 VAL A 60 4.330 7.036 3.206 1.00 0.00 C ATOM 0 H VAL A 60 1.426 8.091 1.663 1.00 0.00 H new ATOM 0 HA VAL A 60 3.095 5.721 1.149 1.00 0.00 H new ATOM 0 HB VAL A 60 2.310 6.858 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.581 4.973 4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.182 4.419 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.820 4.322 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.739 7.072 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.025 6.510 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.182 8.051 2.837 1.00 0.00 H new ATOM 211 N LEU A 61 1.062 4.306 1.209 1.00 0.00 N ATOM 212 CA LEU A 61 -0.132 3.469 1.180 1.00 0.00 C ATOM 213 C LEU A 61 0.077 2.192 1.986 1.00 0.00 C ATOM 214 O LEU A 61 1.089 1.507 1.833 1.00 0.00 O ATOM 215 CB LEU A 61 -0.498 3.119 -0.264 1.00 0.00 C ATOM 216 CG LEU A 61 -0.743 4.303 -1.200 1.00 0.00 C ATOM 217 CD1 LEU A 61 -0.992 3.819 -2.620 1.00 0.00 C ATOM 218 CD2 LEU A 61 -1.915 5.139 -0.707 1.00 0.00 C ATOM 0 H LEU A 61 1.857 3.925 0.696 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.950 4.031 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.303 2.510 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.395 2.500 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 61 0.149 4.929 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.164 4.676 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.123 3.264 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.868 3.170 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.075 5.977 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.813 4.522 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.698 5.517 0.292 1.00 0.00 H new ATOM 230 N HIS A 62 -0.886 1.876 2.846 1.00 0.00 N ATOM 231 CA HIS A 62 -0.807 0.679 3.677 1.00 0.00 C ATOM 232 C HIS A 62 -1.446 -0.513 2.971 1.00 0.00 C ATOM 233 O HIS A 62 -2.434 -0.365 2.251 1.00 0.00 O ATOM 234 CB HIS A 62 -1.495 0.920 5.020 1.00 0.00 C ATOM 235 CG HIS A 62 -1.336 -0.215 5.986 1.00 0.00 C ATOM 236 ND1 HIS A 62 -2.392 -0.989 6.418 1.00 0.00 N ATOM 237 CD2 HIS A 62 -0.235 -0.705 6.602 1.00 0.00 C ATOM 238 CE1 HIS A 62 -1.948 -1.906 7.259 1.00 0.00 C ATOM 239 NE2 HIS A 62 -0.642 -1.755 7.387 1.00 0.00 N ATOM 0 H HIS A 62 -1.730 2.432 2.986 1.00 0.00 H new ATOM 0 HA HIS A 62 0.245 0.455 3.852 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.091 1.828 5.468 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.557 1.095 4.849 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.775 -0.338 6.496 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.550 -2.652 7.757 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.034 -2.326 7.974 1.00 0.00 H new ATOM 247 N ILE A 63 -0.875 -1.694 3.181 1.00 0.00 N ATOM 248 CA ILE A 63 -1.389 -2.912 2.566 1.00 0.00 C ATOM 249 C ILE A 63 -1.338 -4.084 3.540 1.00 0.00 C ATOM 250 O ILE A 63 -0.338 -4.289 4.228 1.00 0.00 O ATOM 251 CB ILE A 63 -0.597 -3.279 1.297 1.00 0.00 C ATOM 252 CG1 ILE A 63 -0.333 -2.029 0.456 1.00 0.00 C ATOM 253 CG2 ILE A 63 -1.351 -4.320 0.485 1.00 0.00 C ATOM 254 CD1 ILE A 63 0.788 -2.200 -0.546 1.00 0.00 C ATOM 0 H ILE A 63 -0.056 -1.834 3.773 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.426 -2.714 2.293 1.00 0.00 H new ATOM 0 HB ILE A 63 0.362 -3.704 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.246 -1.759 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.093 -1.199 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.779 -4.569 -0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.493 -5.218 1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.323 -3.921 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.919 -1.275 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.712 -2.440 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.541 -3.009 -1.234 1.00 0.00 H new ATOM 266 N ARG A 64 -2.423 -4.850 3.592 1.00 0.00 N ATOM 267 CA ARG A 64 -2.502 -6.003 4.481 1.00 0.00 C ATOM 268 C ARG A 64 -2.963 -7.245 3.722 1.00 0.00 C ATOM 269 O ARG A 64 -3.142 -7.211 2.504 1.00 0.00 O ATOM 270 CB ARG A 64 -3.459 -5.716 5.639 1.00 0.00 C ATOM 271 CG ARG A 64 -3.364 -4.294 6.169 1.00 0.00 C ATOM 272 CD ARG A 64 -4.387 -3.384 5.506 1.00 0.00 C ATOM 273 NE ARG A 64 -4.844 -2.328 6.406 1.00 0.00 N ATOM 274 CZ ARG A 64 -6.016 -1.716 6.284 1.00 0.00 C ATOM 275 NH1 ARG A 64 -6.845 -2.052 5.306 1.00 0.00 N ATOM 276 NH2 ARG A 64 -6.362 -0.764 7.142 1.00 0.00 N ATOM 0 H ARG A 64 -3.259 -4.693 3.029 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.505 -6.191 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.481 -5.905 5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.252 -6.412 6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.521 -4.295 7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.361 -3.905 5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.949 -2.936 4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.241 -3.977 5.179 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.229 -2.045 7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.583 -2.783 4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.745 -1.580 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.727 -0.502 7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.263 -0.295 7.047 1.00 0.00 H new ATOM 290 N LYS A 65 -3.151 -8.340 4.450 1.00 0.00 N ATOM 291 CA LYS A 65 -3.592 -9.592 3.847 1.00 0.00 C ATOM 292 C LYS A 65 -2.674 -9.995 2.698 1.00 0.00 C ATOM 293 O LYS A 65 -3.134 -10.488 1.666 1.00 0.00 O ATOM 294 CB LYS A 65 -5.030 -9.463 3.344 1.00 0.00 C ATOM 295 CG LYS A 65 -6.059 -9.369 4.458 1.00 0.00 C ATOM 296 CD LYS A 65 -6.133 -10.659 5.258 1.00 0.00 C ATOM 297 CE LYS A 65 -7.443 -10.766 6.024 1.00 0.00 C ATOM 298 NZ LYS A 65 -8.578 -11.133 5.132 1.00 0.00 N ATOM 0 H LYS A 65 -3.005 -8.386 5.458 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.551 -10.368 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.107 -8.577 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.265 -10.322 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.804 -8.542 5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.038 -9.147 4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.033 -11.511 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.297 -10.704 5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.343 -11.513 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.657 -9.815 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.179 -10.299 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.208 -11.470 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.140 -11.886 5.577 1.00 0.00 H new ATOM 312 N LEU A 66 -1.375 -9.785 2.881 1.00 0.00 N ATOM 313 CA LEU A 66 -0.393 -10.127 1.859 1.00 0.00 C ATOM 314 C LEU A 66 -0.290 -11.640 1.688 1.00 0.00 C ATOM 315 O LEU A 66 -0.341 -12.403 2.652 1.00 0.00 O ATOM 316 CB LEU A 66 0.976 -9.550 2.226 1.00 0.00 C ATOM 317 CG LEU A 66 1.160 -8.052 1.984 1.00 0.00 C ATOM 318 CD1 LEU A 66 2.486 -7.577 2.554 1.00 0.00 C ATOM 319 CD2 LEU A 66 1.073 -7.737 0.497 1.00 0.00 C ATOM 0 H LEU A 66 -0.978 -9.379 3.728 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.722 -9.694 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.162 -9.753 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.737 -10.085 1.659 1.00 0.00 H new ATOM 0 HG LEU A 66 0.358 -7.520 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.598 -6.508 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.510 -7.767 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.303 -8.115 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.206 -6.666 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.853 -8.280 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.097 -8.039 0.118 1.00 0.00 H new ATOM 331 N PRO A 67 -0.140 -12.084 0.431 1.00 0.00 N ATOM 332 CA PRO A 67 -0.024 -13.509 0.103 1.00 0.00 C ATOM 333 C PRO A 67 0.982 -14.229 0.995 1.00 0.00 C ATOM 334 O PRO A 67 1.823 -13.598 1.634 1.00 0.00 O ATOM 335 CB PRO A 67 0.460 -13.500 -1.349 1.00 0.00 C ATOM 336 CG PRO A 67 -0.049 -12.218 -1.910 1.00 0.00 C ATOM 337 CD PRO A 67 -0.071 -11.231 -0.767 1.00 0.00 C ATOM 0 HA PRO A 67 -0.965 -14.039 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.547 -13.552 -1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.071 -14.356 -1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.594 -11.864 -2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.046 -12.347 -2.331 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.821 -10.605 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.929 -10.562 -0.832 1.00 0.00 H new ATOM 345 N GLY A 68 0.889 -15.554 1.035 1.00 0.00 N ATOM 346 CA GLY A 68 1.796 -16.338 1.852 1.00 0.00 C ATOM 347 C GLY A 68 3.208 -16.348 1.302 1.00 0.00 C ATOM 348 O GLY A 68 3.444 -16.807 0.186 1.00 0.00 O ATOM 0 H GLY A 68 0.201 -16.099 0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.807 -15.937 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.428 -17.362 1.919 1.00 0.00 H new ATOM 352 N GLU A 69 4.152 -15.839 2.090 1.00 0.00 N ATOM 353 CA GLU A 69 5.548 -15.789 1.673 1.00 0.00 C ATOM 354 C GLU A 69 5.708 -14.957 0.404 1.00 0.00 C ATOM 355 O GLU A 69 6.403 -15.357 -0.531 1.00 0.00 O ATOM 356 CB GLU A 69 6.085 -17.202 1.441 1.00 0.00 C ATOM 357 CG GLU A 69 6.182 -18.033 2.710 1.00 0.00 C ATOM 358 CD GLU A 69 6.330 -19.515 2.427 1.00 0.00 C ATOM 359 OE1 GLU A 69 5.304 -20.172 2.151 1.00 0.00 O ATOM 360 OE2 GLU A 69 7.472 -20.019 2.482 1.00 0.00 O ATOM 0 H GLU A 69 3.975 -15.456 3.019 1.00 0.00 H new ATOM 0 HA GLU A 69 6.122 -15.317 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.438 -17.715 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.072 -17.136 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.034 -17.692 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.291 -17.870 3.316 1.00 0.00 H new ATOM 367 N VAL A 70 5.059 -13.798 0.376 1.00 0.00 N ATOM 368 CA VAL A 70 5.129 -12.909 -0.777 1.00 0.00 C ATOM 369 C VAL A 70 6.449 -12.146 -0.805 1.00 0.00 C ATOM 370 O VAL A 70 7.114 -11.997 0.221 1.00 0.00 O ATOM 371 CB VAL A 70 3.965 -11.899 -0.779 1.00 0.00 C ATOM 372 CG1 VAL A 70 4.110 -10.917 0.373 1.00 0.00 C ATOM 373 CG2 VAL A 70 3.899 -11.166 -2.110 1.00 0.00 C ATOM 0 H VAL A 70 4.478 -13.452 1.140 1.00 0.00 H new ATOM 0 HA VAL A 70 5.057 -13.537 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 70 3.031 -12.445 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.280 -10.211 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.105 -11.461 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.050 -10.374 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.071 -10.457 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.833 -10.630 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.745 -11.885 -2.914 1.00 0.00 H new ATOM 383 N THR A 71 6.824 -11.666 -1.987 1.00 0.00 N ATOM 384 CA THR A 71 8.065 -10.920 -2.148 1.00 0.00 C ATOM 385 C THR A 71 7.788 -9.452 -2.454 1.00 0.00 C ATOM 386 O THR A 71 6.753 -9.112 -3.027 1.00 0.00 O ATOM 387 CB THR A 71 8.933 -11.512 -3.275 1.00 0.00 C ATOM 388 OG1 THR A 71 8.200 -11.518 -4.506 1.00 0.00 O ATOM 389 CG2 THR A 71 9.372 -12.927 -2.932 1.00 0.00 C ATOM 0 H THR A 71 6.286 -11.781 -2.846 1.00 0.00 H new ATOM 0 HA THR A 71 8.605 -10.996 -1.204 1.00 0.00 H new ATOM 0 HB THR A 71 9.821 -10.890 -3.385 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.759 -11.894 -5.218 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.984 -13.325 -3.742 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.954 -12.914 -2.011 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.493 -13.558 -2.797 1.00 0.00 H new ATOM 397 N GLU A 72 8.719 -8.586 -2.068 1.00 0.00 N ATOM 398 CA GLU A 72 8.573 -7.154 -2.302 1.00 0.00 C ATOM 399 C GLU A 72 8.310 -6.867 -3.778 1.00 0.00 C ATOM 400 O GLU A 72 7.468 -6.036 -4.120 1.00 0.00 O ATOM 401 CB GLU A 72 9.830 -6.410 -1.844 1.00 0.00 C ATOM 402 CG GLU A 72 9.940 -6.274 -0.335 1.00 0.00 C ATOM 403 CD GLU A 72 11.377 -6.174 0.139 1.00 0.00 C ATOM 404 OE1 GLU A 72 12.271 -6.681 -0.570 1.00 0.00 O ATOM 405 OE2 GLU A 72 11.607 -5.589 1.218 1.00 0.00 O ATOM 0 H GLU A 72 9.582 -8.850 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 72 7.719 -6.803 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.709 -6.935 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.837 -5.416 -2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.393 -5.388 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.464 -7.132 0.139 1.00 0.00 H new ATOM 412 N THR A 73 9.036 -7.561 -4.648 1.00 0.00 N ATOM 413 CA THR A 73 8.882 -7.381 -6.087 1.00 0.00 C ATOM 414 C THR A 73 7.412 -7.274 -6.474 1.00 0.00 C ATOM 415 O THR A 73 7.057 -6.547 -7.400 1.00 0.00 O ATOM 416 CB THR A 73 9.524 -8.542 -6.869 1.00 0.00 C ATOM 417 OG1 THR A 73 10.931 -8.589 -6.609 1.00 0.00 O ATOM 418 CG2 THR A 73 9.285 -8.385 -8.364 1.00 0.00 C ATOM 0 H THR A 73 9.737 -8.253 -4.382 1.00 0.00 H new ATOM 0 HA THR A 73 9.391 -6.452 -6.346 1.00 0.00 H new ATOM 0 HB THR A 73 9.062 -9.472 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.331 -9.331 -7.109 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.748 -9.217 -8.896 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.213 -8.379 -8.562 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.723 -7.447 -8.706 1.00 0.00 H new ATOM 426 N GLU A 74 6.562 -8.003 -5.757 1.00 0.00 N ATOM 427 CA GLU A 74 5.129 -7.989 -6.027 1.00 0.00 C ATOM 428 C GLU A 74 4.536 -6.610 -5.750 1.00 0.00 C ATOM 429 O GLU A 74 4.072 -5.926 -6.663 1.00 0.00 O ATOM 430 CB GLU A 74 4.416 -9.042 -5.176 1.00 0.00 C ATOM 431 CG GLU A 74 4.587 -10.460 -5.695 1.00 0.00 C ATOM 432 CD GLU A 74 3.504 -10.853 -6.681 1.00 0.00 C ATOM 433 OE1 GLU A 74 3.133 -10.008 -7.523 1.00 0.00 O ATOM 434 OE2 GLU A 74 3.029 -12.007 -6.613 1.00 0.00 O ATOM 0 H GLU A 74 6.841 -8.610 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 74 4.983 -8.224 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.794 -8.989 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.353 -8.805 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.561 -10.553 -6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.578 -11.154 -4.855 1.00 0.00 H new ATOM 441 N VAL A 75 4.555 -6.208 -4.483 1.00 0.00 N ATOM 442 CA VAL A 75 4.022 -4.911 -4.084 1.00 0.00 C ATOM 443 C VAL A 75 4.675 -3.781 -4.873 1.00 0.00 C ATOM 444 O VAL A 75 4.085 -2.716 -5.055 1.00 0.00 O ATOM 445 CB VAL A 75 4.227 -4.659 -2.579 1.00 0.00 C ATOM 446 CG1 VAL A 75 3.707 -3.282 -2.193 1.00 0.00 C ATOM 447 CG2 VAL A 75 3.549 -5.744 -1.758 1.00 0.00 C ATOM 0 H VAL A 75 4.934 -6.762 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 75 2.954 -4.928 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 75 5.295 -4.691 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.860 -3.121 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.245 -2.519 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.643 -3.218 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.705 -5.549 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.480 -5.749 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.975 -6.714 -2.015 1.00 0.00 H new ATOM 457 N ILE A 76 5.897 -4.022 -5.337 1.00 0.00 N ATOM 458 CA ILE A 76 6.629 -3.025 -6.107 1.00 0.00 C ATOM 459 C ILE A 76 6.119 -2.954 -7.542 1.00 0.00 C ATOM 460 O ILE A 76 5.842 -1.873 -8.062 1.00 0.00 O ATOM 461 CB ILE A 76 8.139 -3.327 -6.126 1.00 0.00 C ATOM 462 CG1 ILE A 76 8.713 -3.258 -4.709 1.00 0.00 C ATOM 463 CG2 ILE A 76 8.863 -2.353 -7.043 1.00 0.00 C ATOM 464 CD1 ILE A 76 10.169 -3.660 -4.626 1.00 0.00 C ATOM 0 H ILE A 76 6.400 -4.898 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 76 6.464 -2.065 -5.618 1.00 0.00 H new ATOM 0 HB ILE A 76 8.287 -4.336 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.603 -2.242 -4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.128 -3.906 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.929 -2.580 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.470 -2.446 -8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.709 -1.335 -6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.508 -3.587 -3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.283 -4.687 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.766 -2.996 -5.252 1.00 0.00 H new ATOM 476 N ALA A 77 5.995 -4.115 -8.178 1.00 0.00 N ATOM 477 CA ALA A 77 5.513 -4.186 -9.552 1.00 0.00 C ATOM 478 C ALA A 77 4.080 -3.677 -9.659 1.00 0.00 C ATOM 479 O ALA A 77 3.601 -3.361 -10.749 1.00 0.00 O ATOM 480 CB ALA A 77 5.609 -5.613 -10.072 1.00 0.00 C ATOM 0 H ALA A 77 6.222 -5.019 -7.763 1.00 0.00 H new ATOM 0 HA ALA A 77 6.145 -3.544 -10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.246 -5.651 -11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.648 -5.942 -10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.002 -6.269 -9.448 1.00 0.00 H new ATOM 486 N LEU A 78 3.399 -3.600 -8.521 1.00 0.00 N ATOM 487 CA LEU A 78 2.017 -3.130 -8.486 1.00 0.00 C ATOM 488 C LEU A 78 1.961 -1.620 -8.280 1.00 0.00 C ATOM 489 O LEU A 78 0.930 -0.989 -8.506 1.00 0.00 O ATOM 490 CB LEU A 78 1.245 -3.838 -7.372 1.00 0.00 C ATOM 491 CG LEU A 78 0.986 -5.330 -7.579 1.00 0.00 C ATOM 492 CD1 LEU A 78 0.456 -5.962 -6.301 1.00 0.00 C ATOM 493 CD2 LEU A 78 0.012 -5.549 -8.726 1.00 0.00 C ATOM 0 H LEU A 78 3.780 -3.857 -7.610 1.00 0.00 H new ATOM 0 HA LEU A 78 1.555 -3.364 -9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.794 -3.711 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.285 -3.337 -7.247 1.00 0.00 H new ATOM 0 HG LEU A 78 1.931 -5.810 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.277 -7.024 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.188 -5.838 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.478 -5.477 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.160 -6.617 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.933 -5.054 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.430 -5.133 -9.643 1.00 0.00 H new ATOM 505 N GLY A 79 3.081 -1.045 -7.849 1.00 0.00 N ATOM 506 CA GLY A 79 3.138 0.388 -7.621 1.00 0.00 C ATOM 507 C GLY A 79 3.989 1.105 -8.650 1.00 0.00 C ATOM 508 O GLY A 79 3.962 2.333 -8.743 1.00 0.00 O ATOM 0 H GLY A 79 3.948 -1.545 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.128 0.797 -7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.539 0.579 -6.626 1.00 0.00 H new ATOM 512 N LEU A 80 4.747 0.338 -9.426 1.00 0.00 N ATOM 513 CA LEU A 80 5.612 0.908 -10.454 1.00 0.00 C ATOM 514 C LEU A 80 4.788 1.466 -11.610 1.00 0.00 C ATOM 515 O LEU A 80 5.066 2.541 -12.141 1.00 0.00 O ATOM 516 CB LEU A 80 6.588 -0.150 -10.972 1.00 0.00 C ATOM 517 CG LEU A 80 7.824 -0.403 -10.108 1.00 0.00 C ATOM 518 CD1 LEU A 80 8.741 -1.417 -10.772 1.00 0.00 C ATOM 519 CD2 LEU A 80 8.567 0.899 -9.846 1.00 0.00 C ATOM 0 H LEU A 80 4.780 -0.680 -9.363 1.00 0.00 H new ATOM 0 HA LEU A 80 6.177 1.726 -10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.048 -1.090 -11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.919 0.146 -11.967 1.00 0.00 H new ATOM 0 HG LEU A 80 7.497 -0.811 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.615 -1.584 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.206 -2.357 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.060 -1.038 -11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.444 0.700 -9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.881 1.336 -10.794 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.909 1.595 -9.326 1.00 0.00 H new ATOM 531 N PRO A 81 3.747 0.719 -12.010 1.00 0.00 N ATOM 532 CA PRO A 81 2.860 1.120 -13.105 1.00 0.00 C ATOM 533 C PRO A 81 2.394 2.567 -12.973 1.00 0.00 C ATOM 534 O PRO A 81 2.310 3.294 -13.963 1.00 0.00 O ATOM 535 CB PRO A 81 1.674 0.162 -12.970 1.00 0.00 C ATOM 536 CG PRO A 81 2.236 -1.042 -12.297 1.00 0.00 C ATOM 537 CD PRO A 81 3.357 -0.572 -11.422 1.00 0.00 C ATOM 0 HA PRO A 81 3.359 1.069 -14.073 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.871 0.606 -12.382 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.254 -0.088 -13.944 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.471 -1.546 -11.706 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.596 -1.762 -13.032 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.035 -0.459 -10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.187 -1.278 -11.422 1.00 0.00 H new ATOM 545 N PHE A 82 2.091 2.976 -11.746 1.00 0.00 N ATOM 546 CA PHE A 82 1.632 4.336 -11.486 1.00 0.00 C ATOM 547 C PHE A 82 2.812 5.297 -11.378 1.00 0.00 C ATOM 548 O PHE A 82 2.839 6.341 -12.028 1.00 0.00 O ATOM 549 CB PHE A 82 0.805 4.380 -10.201 1.00 0.00 C ATOM 550 CG PHE A 82 -0.325 3.391 -10.180 1.00 0.00 C ATOM 551 CD1 PHE A 82 -1.440 3.575 -10.984 1.00 0.00 C ATOM 552 CD2 PHE A 82 -0.274 2.276 -9.359 1.00 0.00 C ATOM 553 CE1 PHE A 82 -2.481 2.667 -10.966 1.00 0.00 C ATOM 554 CE2 PHE A 82 -1.313 1.364 -9.337 1.00 0.00 C ATOM 555 CZ PHE A 82 -2.417 1.559 -10.144 1.00 0.00 C ATOM 0 H PHE A 82 2.155 2.386 -10.916 1.00 0.00 H new ATOM 0 HA PHE A 82 1.007 4.648 -12.323 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.460 4.189 -9.351 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.401 5.384 -10.073 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.495 4.438 -11.631 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.588 2.117 -8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.345 2.824 -11.595 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.261 0.501 -8.690 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.228 0.846 -10.132 1.00 0.00 H new ATOM 565 N GLY A 83 3.788 4.935 -10.551 1.00 0.00 N ATOM 566 CA GLY A 83 4.958 5.775 -10.371 1.00 0.00 C ATOM 567 C GLY A 83 6.212 4.971 -10.093 1.00 0.00 C ATOM 568 O GLY A 83 6.568 4.076 -10.862 1.00 0.00 O ATOM 0 H GLY A 83 3.789 4.075 -10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.109 6.379 -11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.782 6.465 -9.546 1.00 0.00 H new ATOM 572 N LYS A 84 6.887 5.290 -8.993 1.00 0.00 N ATOM 573 CA LYS A 84 8.110 4.591 -8.615 1.00 0.00 C ATOM 574 C LYS A 84 8.204 4.441 -7.101 1.00 0.00 C ATOM 575 O LYS A 84 8.028 5.408 -6.360 1.00 0.00 O ATOM 576 CB LYS A 84 9.334 5.342 -9.143 1.00 0.00 C ATOM 577 CG LYS A 84 10.602 4.506 -9.157 1.00 0.00 C ATOM 578 CD LYS A 84 11.353 4.611 -7.840 1.00 0.00 C ATOM 579 CE LYS A 84 12.385 3.502 -7.697 1.00 0.00 C ATOM 580 NZ LYS A 84 13.637 3.808 -8.442 1.00 0.00 N ATOM 0 H LYS A 84 6.607 6.029 -8.348 1.00 0.00 H new ATOM 0 HA LYS A 84 8.084 3.596 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.127 5.690 -10.155 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.499 6.227 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.350 3.464 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.247 4.835 -9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.848 5.580 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.646 4.561 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.617 3.356 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.964 2.566 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.314 3.028 -8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.420 3.922 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.053 4.688 -8.076 1.00 0.00 H new ATOM 594 N VAL A 85 8.486 3.223 -6.647 1.00 0.00 N ATOM 595 CA VAL A 85 8.608 2.949 -5.221 1.00 0.00 C ATOM 596 C VAL A 85 9.963 3.398 -4.688 1.00 0.00 C ATOM 597 O VAL A 85 11.001 2.845 -5.053 1.00 0.00 O ATOM 598 CB VAL A 85 8.422 1.450 -4.921 1.00 0.00 C ATOM 599 CG1 VAL A 85 8.803 1.142 -3.481 1.00 0.00 C ATOM 600 CG2 VAL A 85 6.990 1.023 -5.204 1.00 0.00 C ATOM 0 H VAL A 85 8.634 2.411 -7.247 1.00 0.00 H new ATOM 0 HA VAL A 85 7.820 3.513 -4.722 1.00 0.00 H new ATOM 0 HB VAL A 85 9.083 0.882 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.665 0.078 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.847 1.408 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.170 1.718 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.877 -0.039 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.308 1.596 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.757 1.205 -6.253 1.00 0.00 H new ATOM 610 N THR A 86 9.948 4.406 -3.821 1.00 0.00 N ATOM 611 CA THR A 86 11.176 4.932 -3.237 1.00 0.00 C ATOM 612 C THR A 86 11.402 4.371 -1.837 1.00 0.00 C ATOM 613 O THR A 86 12.536 4.102 -1.443 1.00 0.00 O ATOM 614 CB THR A 86 11.150 6.470 -3.164 1.00 0.00 C ATOM 615 OG1 THR A 86 9.910 6.912 -2.600 1.00 0.00 O ATOM 616 CG2 THR A 86 11.330 7.080 -4.546 1.00 0.00 C ATOM 0 H THR A 86 9.098 4.875 -3.508 1.00 0.00 H new ATOM 0 HA THR A 86 11.994 4.621 -3.887 1.00 0.00 H new ATOM 0 HB THR A 86 11.974 6.796 -2.530 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.902 7.891 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.308 8.167 -4.470 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.287 6.765 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.524 6.746 -5.199 1.00 0.00 H new ATOM 624 N ASN A 87 10.317 4.198 -1.091 1.00 0.00 N ATOM 625 CA ASN A 87 10.398 3.670 0.266 1.00 0.00 C ATOM 626 C ASN A 87 9.348 2.587 0.491 1.00 0.00 C ATOM 627 O ASN A 87 8.163 2.792 0.227 1.00 0.00 O ATOM 628 CB ASN A 87 10.214 4.795 1.285 1.00 0.00 C ATOM 629 CG ASN A 87 11.452 5.660 1.422 1.00 0.00 C ATOM 630 OD1 ASN A 87 12.253 5.769 0.493 1.00 0.00 O ATOM 631 ND2 ASN A 87 11.615 6.279 2.586 1.00 0.00 N ATOM 0 H ASN A 87 9.371 4.416 -1.403 1.00 0.00 H new ATOM 0 HA ASN A 87 11.385 3.227 0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.371 5.417 0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.965 4.365 2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.430 6.874 2.738 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.925 6.160 3.328 1.00 0.00 H new ATOM 638 N ILE A 88 9.791 1.433 0.982 1.00 0.00 N ATOM 639 CA ILE A 88 8.889 0.319 1.244 1.00 0.00 C ATOM 640 C ILE A 88 9.183 -0.318 2.598 1.00 0.00 C ATOM 641 O ILE A 88 10.317 -0.289 3.077 1.00 0.00 O ATOM 642 CB ILE A 88 8.992 -0.759 0.148 1.00 0.00 C ATOM 643 CG1 ILE A 88 8.201 -2.005 0.553 1.00 0.00 C ATOM 644 CG2 ILE A 88 10.449 -1.112 -0.111 1.00 0.00 C ATOM 645 CD1 ILE A 88 8.271 -3.121 -0.465 1.00 0.00 C ATOM 0 H ILE A 88 10.768 1.246 1.206 1.00 0.00 H new ATOM 0 HA ILE A 88 7.878 0.725 1.248 1.00 0.00 H new ATOM 0 HB ILE A 88 8.564 -0.363 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.578 -2.371 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.158 -1.729 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.506 -1.875 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.987 -0.222 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.900 -1.493 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.688 -3.972 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.866 -2.773 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 88 9.309 -3.424 -0.602 1.00 0.00 H new ATOM 657 N LEU A 89 8.154 -0.894 3.210 1.00 0.00 N ATOM 658 CA LEU A 89 8.301 -1.541 4.509 1.00 0.00 C ATOM 659 C LEU A 89 7.503 -2.840 4.564 1.00 0.00 C ATOM 660 O LEU A 89 6.286 -2.840 4.388 1.00 0.00 O ATOM 661 CB LEU A 89 7.842 -0.600 5.624 1.00 0.00 C ATOM 662 CG LEU A 89 7.863 -1.177 7.040 1.00 0.00 C ATOM 663 CD1 LEU A 89 9.288 -1.493 7.468 1.00 0.00 C ATOM 664 CD2 LEU A 89 7.213 -0.211 8.019 1.00 0.00 C ATOM 0 H LEU A 89 7.209 -0.926 2.828 1.00 0.00 H new ATOM 0 HA LEU A 89 9.355 -1.778 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.474 0.288 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.826 -0.273 5.401 1.00 0.00 H new ATOM 0 HG LEU A 89 7.291 -2.105 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.282 -1.903 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.720 -2.223 6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.884 -0.581 7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.237 -0.638 9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.757 0.733 8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.178 -0.035 7.724 1.00 0.00 H new ATOM 676 N MET A 90 8.197 -3.946 4.812 1.00 0.00 N ATOM 677 CA MET A 90 7.553 -5.251 4.894 1.00 0.00 C ATOM 678 C MET A 90 7.727 -5.857 6.283 1.00 0.00 C ATOM 679 O MET A 90 8.850 -6.094 6.731 1.00 0.00 O ATOM 680 CB MET A 90 8.128 -6.195 3.837 1.00 0.00 C ATOM 681 CG MET A 90 7.580 -7.610 3.922 1.00 0.00 C ATOM 682 SD MET A 90 7.625 -8.470 2.338 1.00 0.00 S ATOM 683 CE MET A 90 6.078 -7.928 1.615 1.00 0.00 C ATOM 0 H MET A 90 9.206 -3.964 4.960 1.00 0.00 H new ATOM 0 HA MET A 90 6.488 -5.115 4.707 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.916 -5.791 2.847 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.212 -6.227 3.942 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.157 -8.175 4.654 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.552 -7.576 4.283 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.227 -7.712 0.557 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.331 -8.714 1.723 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.734 -7.028 2.124 1.00 0.00 H new ATOM 693 N LEU A 91 6.612 -6.107 6.959 1.00 0.00 N ATOM 694 CA LEU A 91 6.642 -6.686 8.298 1.00 0.00 C ATOM 695 C LEU A 91 6.720 -8.207 8.231 1.00 0.00 C ATOM 696 O LEU A 91 5.788 -8.870 7.775 1.00 0.00 O ATOM 697 CB LEU A 91 5.401 -6.262 9.086 1.00 0.00 C ATOM 698 CG LEU A 91 5.392 -4.823 9.602 1.00 0.00 C ATOM 699 CD1 LEU A 91 4.047 -4.488 10.228 1.00 0.00 C ATOM 700 CD2 LEU A 91 6.516 -4.610 10.606 1.00 0.00 C ATOM 0 H LEU A 91 5.675 -5.918 6.602 1.00 0.00 H new ATOM 0 HA LEU A 91 7.532 -6.317 8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.526 -6.405 8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.290 -6.933 9.938 1.00 0.00 H new ATOM 0 HG LEU A 91 5.553 -4.154 8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.060 -3.460 10.589 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.260 -4.601 9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.855 -5.163 11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.495 -3.580 10.963 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.385 -5.289 11.449 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.475 -4.808 10.126 1.00 0.00 H new ATOM 763 N ASN A 95 1.080 -9.843 8.231 1.00 0.00 N ATOM 764 CA ASN A 95 0.580 -9.552 6.893 1.00 0.00 C ATOM 765 C ASN A 95 0.319 -8.058 6.721 1.00 0.00 C ATOM 766 O ASN A 95 -0.802 -7.644 6.430 1.00 0.00 O ATOM 767 CB ASN A 95 -0.704 -10.340 6.622 1.00 0.00 C ATOM 768 CG ASN A 95 -0.662 -11.734 7.219 1.00 0.00 C ATOM 769 OD1 ASN A 95 -0.518 -11.899 8.430 1.00 0.00 O ATOM 770 ND2 ASN A 95 -0.791 -12.745 6.368 1.00 0.00 N ATOM 0 HA ASN A 95 1.342 -9.854 6.175 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.555 -9.797 7.034 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.863 -10.413 5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.773 -13.706 6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.908 -12.561 5.372 1.00 0.00 H new ATOM 777 N GLN A 96 1.363 -7.257 6.904 1.00 0.00 N ATOM 778 CA GLN A 96 1.247 -5.810 6.770 1.00 0.00 C ATOM 779 C GLN A 96 2.506 -5.217 6.147 1.00 0.00 C ATOM 780 O GLN A 96 3.621 -5.617 6.479 1.00 0.00 O ATOM 781 CB GLN A 96 0.988 -5.168 8.134 1.00 0.00 C ATOM 782 CG GLN A 96 -0.430 -5.374 8.644 1.00 0.00 C ATOM 783 CD GLN A 96 -0.570 -5.059 10.120 1.00 0.00 C ATOM 784 OE1 GLN A 96 0.422 -4.859 10.821 1.00 0.00 O ATOM 785 NE2 GLN A 96 -1.807 -5.010 10.600 1.00 0.00 N ATOM 0 H GLN A 96 2.298 -7.585 7.145 1.00 0.00 H new ATOM 0 HA GLN A 96 0.404 -5.599 6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.690 -5.580 8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.190 -4.099 8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.112 -4.742 8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.729 -6.407 8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.601 -5.182 9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.964 -4.800 11.586 1.00 0.00 H new ATOM 794 N ALA A 97 2.320 -4.262 5.242 1.00 0.00 N ATOM 795 CA ALA A 97 3.442 -3.613 4.574 1.00 0.00 C ATOM 796 C ALA A 97 3.073 -2.202 4.126 1.00 0.00 C ATOM 797 O ALA A 97 1.959 -1.960 3.661 1.00 0.00 O ATOM 798 CB ALA A 97 3.900 -4.445 3.385 1.00 0.00 C ATOM 0 H ALA A 97 1.403 -3.920 4.954 1.00 0.00 H new ATOM 0 HA ALA A 97 4.263 -3.536 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.738 -3.949 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.213 -5.431 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.078 -4.552 2.677 1.00 0.00 H new ATOM 804 N PHE A 98 4.014 -1.276 4.269 1.00 0.00 N ATOM 805 CA PHE A 98 3.787 0.111 3.880 1.00 0.00 C ATOM 806 C PHE A 98 4.622 0.476 2.655 1.00 0.00 C ATOM 807 O PHE A 98 5.846 0.331 2.659 1.00 0.00 O ATOM 808 CB PHE A 98 4.124 1.049 5.040 1.00 0.00 C ATOM 809 CG PHE A 98 3.352 0.754 6.293 1.00 0.00 C ATOM 810 CD1 PHE A 98 3.618 -0.385 7.034 1.00 0.00 C ATOM 811 CD2 PHE A 98 2.360 1.617 6.732 1.00 0.00 C ATOM 812 CE1 PHE A 98 2.909 -0.660 8.189 1.00 0.00 C ATOM 813 CE2 PHE A 98 1.647 1.348 7.885 1.00 0.00 C ATOM 814 CZ PHE A 98 1.922 0.208 8.615 1.00 0.00 C ATOM 0 H PHE A 98 4.941 -1.460 4.651 1.00 0.00 H new ATOM 0 HA PHE A 98 2.733 0.224 3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.190 0.979 5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.927 2.077 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.389 -1.067 6.706 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.142 2.511 6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.127 -1.552 8.757 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.876 2.028 8.215 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.367 -0.004 9.517 1.00 0.00 H new ATOM 824 N LEU A 99 3.954 0.950 1.610 1.00 0.00 N ATOM 825 CA LEU A 99 4.632 1.336 0.379 1.00 0.00 C ATOM 826 C LEU A 99 4.576 2.846 0.176 1.00 0.00 C ATOM 827 O LEU A 99 3.591 3.493 0.531 1.00 0.00 O ATOM 828 CB LEU A 99 4.000 0.626 -0.819 1.00 0.00 C ATOM 829 CG LEU A 99 4.818 0.631 -2.112 1.00 0.00 C ATOM 830 CD1 LEU A 99 5.902 -0.433 -2.061 1.00 0.00 C ATOM 831 CD2 LEU A 99 3.913 0.417 -3.316 1.00 0.00 C ATOM 0 H LEU A 99 2.942 1.076 1.591 1.00 0.00 H new ATOM 0 HA LEU A 99 5.677 1.038 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.805 -0.410 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.034 1.089 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 99 5.298 1.604 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.474 -0.415 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.567 -0.234 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.443 -1.414 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.512 0.423 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.404 -0.543 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.174 1.217 -3.362 1.00 0.00 H new ATOM 843 N GLU A 100 5.640 3.402 -0.397 1.00 0.00 N ATOM 844 CA GLU A 100 5.709 4.837 -0.648 1.00 0.00 C ATOM 845 C GLU A 100 6.253 5.119 -2.046 1.00 0.00 C ATOM 846 O GLU A 100 7.307 4.609 -2.429 1.00 0.00 O ATOM 847 CB GLU A 100 6.590 5.517 0.401 1.00 0.00 C ATOM 848 CG GLU A 100 7.081 6.894 -0.016 1.00 0.00 C ATOM 849 CD GLU A 100 7.473 7.756 1.167 1.00 0.00 C ATOM 850 OE1 GLU A 100 6.606 8.014 2.028 1.00 0.00 O ATOM 851 OE2 GLU A 100 8.648 8.175 1.232 1.00 0.00 O ATOM 0 H GLU A 100 6.465 2.881 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 100 4.699 5.242 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.029 5.607 1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.451 4.881 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.938 6.784 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.299 7.398 -0.585 1.00 0.00 H new ATOM 858 N LEU A 101 5.527 5.934 -2.803 1.00 0.00 N ATOM 859 CA LEU A 101 5.935 6.285 -4.159 1.00 0.00 C ATOM 860 C LEU A 101 6.738 7.582 -4.168 1.00 0.00 C ATOM 861 O LEU A 101 6.789 8.299 -3.168 1.00 0.00 O ATOM 862 CB LEU A 101 4.708 6.425 -5.061 1.00 0.00 C ATOM 863 CG LEU A 101 3.946 5.134 -5.364 1.00 0.00 C ATOM 864 CD1 LEU A 101 3.179 4.666 -4.138 1.00 0.00 C ATOM 865 CD2 LEU A 101 3.003 5.335 -6.542 1.00 0.00 C ATOM 0 H LEU A 101 4.653 6.364 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 101 6.569 5.485 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.019 7.129 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.025 6.866 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 101 4.668 4.363 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.643 3.746 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.877 4.481 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.466 5.435 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.469 4.406 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.286 6.121 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.577 5.622 -7.423 1.00 0.00 H new ATOM 877 N ALA A 102 7.361 7.878 -5.303 1.00 0.00 N ATOM 878 CA ALA A 102 8.157 9.091 -5.443 1.00 0.00 C ATOM 879 C ALA A 102 7.340 10.329 -5.090 1.00 0.00 C ATOM 880 O ALA A 102 7.840 11.256 -4.454 1.00 0.00 O ATOM 881 CB ALA A 102 8.704 9.203 -6.859 1.00 0.00 C ATOM 0 H ALA A 102 7.330 7.295 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 102 8.993 9.029 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.296 10.113 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.332 8.339 -7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.876 9.237 -7.567 1.00 0.00 H new ATOM 887 N THR A 103 6.078 10.337 -5.508 1.00 0.00 N ATOM 888 CA THR A 103 5.191 11.462 -5.238 1.00 0.00 C ATOM 889 C THR A 103 3.885 10.993 -4.607 1.00 0.00 C ATOM 890 O THR A 103 3.545 9.812 -4.668 1.00 0.00 O ATOM 891 CB THR A 103 4.873 12.249 -6.523 1.00 0.00 C ATOM 892 OG1 THR A 103 4.243 11.390 -7.481 1.00 0.00 O ATOM 893 CG2 THR A 103 6.140 12.840 -7.123 1.00 0.00 C ATOM 0 H THR A 103 5.647 9.577 -6.035 1.00 0.00 H new ATOM 0 HA THR A 103 5.715 12.116 -4.541 1.00 0.00 H new ATOM 0 HB THR A 103 4.197 13.064 -6.265 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.329 11.780 -8.376 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.890 13.391 -8.030 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.603 13.515 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.836 12.037 -7.366 1.00 0.00 H new ATOM 901 N GLU A 104 3.157 11.926 -4.001 1.00 0.00 N ATOM 902 CA GLU A 104 1.888 11.606 -3.359 1.00 0.00 C ATOM 903 C GLU A 104 0.771 11.479 -4.392 1.00 0.00 C ATOM 904 O GLU A 104 -0.225 10.795 -4.162 1.00 0.00 O ATOM 905 CB GLU A 104 1.526 12.681 -2.331 1.00 0.00 C ATOM 906 CG GLU A 104 1.404 14.075 -2.925 1.00 0.00 C ATOM 907 CD GLU A 104 2.728 14.811 -2.961 1.00 0.00 C ATOM 908 OE1 GLU A 104 3.412 14.852 -1.916 1.00 0.00 O ATOM 909 OE2 GLU A 104 3.081 15.348 -4.031 1.00 0.00 O ATOM 0 H GLU A 104 3.424 12.909 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 104 1.999 10.648 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.582 12.414 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.285 12.694 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.006 14.001 -3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.687 14.653 -2.342 1.00 0.00 H new ATOM 916 N GLU A 105 0.948 12.143 -5.530 1.00 0.00 N ATOM 917 CA GLU A 105 -0.044 12.104 -6.598 1.00 0.00 C ATOM 918 C GLU A 105 -0.126 10.711 -7.216 1.00 0.00 C ATOM 919 O GLU A 105 -1.182 10.291 -7.687 1.00 0.00 O ATOM 920 CB GLU A 105 0.296 13.133 -7.677 1.00 0.00 C ATOM 921 CG GLU A 105 1.639 12.893 -8.346 1.00 0.00 C ATOM 922 CD GLU A 105 2.010 13.992 -9.323 1.00 0.00 C ATOM 923 OE1 GLU A 105 1.491 13.976 -10.459 1.00 0.00 O ATOM 924 OE2 GLU A 105 2.819 14.868 -8.952 1.00 0.00 O ATOM 0 H GLU A 105 1.768 12.714 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.015 12.348 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.486 13.122 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.294 14.128 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.412 12.815 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.613 11.938 -8.872 1.00 0.00 H new ATOM 931 N ALA A 106 0.998 10.000 -7.209 1.00 0.00 N ATOM 932 CA ALA A 106 1.053 8.655 -7.765 1.00 0.00 C ATOM 933 C ALA A 106 0.347 7.655 -6.857 1.00 0.00 C ATOM 934 O ALA A 106 0.051 6.532 -7.266 1.00 0.00 O ATOM 935 CB ALA A 106 2.499 8.237 -7.991 1.00 0.00 C ATOM 0 H ALA A 106 1.882 10.334 -6.824 1.00 0.00 H new ATOM 0 HA ALA A 106 0.534 8.663 -8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.526 7.230 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.973 8.929 -8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.035 8.252 -7.042 1.00 0.00 H new ATOM 941 N ALA A 107 0.083 8.069 -5.622 1.00 0.00 N ATOM 942 CA ALA A 107 -0.589 7.209 -4.656 1.00 0.00 C ATOM 943 C ALA A 107 -2.104 7.345 -4.760 1.00 0.00 C ATOM 944 O ALA A 107 -2.835 6.359 -4.655 1.00 0.00 O ATOM 945 CB ALA A 107 -0.124 7.535 -3.245 1.00 0.00 C ATOM 0 H ALA A 107 0.324 8.994 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.327 6.176 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.634 6.885 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.952 7.379 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.356 8.575 -3.017 1.00 0.00 H new ATOM 951 N ILE A 108 -2.570 8.573 -4.965 1.00 0.00 N ATOM 952 CA ILE A 108 -3.999 8.837 -5.083 1.00 0.00 C ATOM 953 C ILE A 108 -4.591 8.128 -6.297 1.00 0.00 C ATOM 954 O ILE A 108 -5.606 7.438 -6.194 1.00 0.00 O ATOM 955 CB ILE A 108 -4.284 10.346 -5.195 1.00 0.00 C ATOM 956 CG1 ILE A 108 -3.722 11.085 -3.979 1.00 0.00 C ATOM 957 CG2 ILE A 108 -5.780 10.594 -5.328 1.00 0.00 C ATOM 958 CD1 ILE A 108 -3.530 12.568 -4.209 1.00 0.00 C ATOM 0 H ILE A 108 -1.979 9.400 -5.053 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.467 8.453 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.791 10.729 -6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.395 10.941 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.765 10.641 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.966 11.665 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.153 10.095 -6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.294 10.200 -4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -3.129 13.027 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.834 12.721 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.489 13.025 -4.454 1.00 0.00 H new ATOM 970 N THR A 109 -3.948 8.300 -7.447 1.00 0.00 N ATOM 971 CA THR A 109 -4.410 7.676 -8.682 1.00 0.00 C ATOM 972 C THR A 109 -4.291 6.159 -8.609 1.00 0.00 C ATOM 973 O THR A 109 -5.050 5.436 -9.252 1.00 0.00 O ATOM 974 CB THR A 109 -3.615 8.184 -9.899 1.00 0.00 C ATOM 975 OG1 THR A 109 -3.571 9.616 -9.894 1.00 0.00 O ATOM 976 CG2 THR A 109 -4.242 7.696 -11.196 1.00 0.00 C ATOM 0 H THR A 109 -3.106 8.866 -7.550 1.00 0.00 H new ATOM 0 HA THR A 109 -5.458 7.950 -8.802 1.00 0.00 H new ATOM 0 HB THR A 109 -2.601 7.790 -9.832 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.886 9.920 -9.262 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.664 8.067 -12.042 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.247 6.606 -11.210 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.265 8.065 -11.267 1.00 0.00 H new ATOM 984 N MET A 110 -3.334 5.682 -7.819 1.00 0.00 N ATOM 985 CA MET A 110 -3.117 4.248 -7.661 1.00 0.00 C ATOM 986 C MET A 110 -4.321 3.587 -6.998 1.00 0.00 C ATOM 987 O MET A 110 -4.961 2.712 -7.582 1.00 0.00 O ATOM 988 CB MET A 110 -1.858 3.990 -6.831 1.00 0.00 C ATOM 989 CG MET A 110 -1.774 2.577 -6.279 1.00 0.00 C ATOM 990 SD MET A 110 -0.142 2.184 -5.620 1.00 0.00 S ATOM 991 CE MET A 110 -0.467 0.613 -4.823 1.00 0.00 C ATOM 0 H MET A 110 -2.697 6.267 -7.279 1.00 0.00 H new ATOM 0 HA MET A 110 -2.986 3.814 -8.652 1.00 0.00 H new ATOM 0 HB2 MET A 110 -0.980 4.183 -7.448 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.828 4.698 -6.002 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.518 2.454 -5.492 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.023 1.868 -7.068 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.450 0.240 -4.367 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.227 0.746 -4.053 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.822 -0.104 -5.563 1.00 0.00 H new ATOM 1001 N VAL A 111 -4.625 4.010 -5.774 1.00 0.00 N ATOM 1002 CA VAL A 111 -5.753 3.459 -5.033 1.00 0.00 C ATOM 1003 C VAL A 111 -7.012 3.427 -5.891 1.00 0.00 C ATOM 1004 O VAL A 111 -7.639 2.382 -6.051 1.00 0.00 O ATOM 1005 CB VAL A 111 -6.035 4.272 -3.755 1.00 0.00 C ATOM 1006 CG1 VAL A 111 -7.168 3.641 -2.961 1.00 0.00 C ATOM 1007 CG2 VAL A 111 -4.777 4.386 -2.907 1.00 0.00 C ATOM 0 H VAL A 111 -4.105 4.732 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.482 2.441 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.342 5.277 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.353 4.228 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.071 3.617 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.893 2.624 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.995 4.963 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.437 3.390 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.996 4.887 -3.480 1.00 0.00 H new ATOM 1017 N ASN A 112 -7.375 4.580 -6.442 1.00 0.00 N ATOM 1018 CA ASN A 112 -8.561 4.686 -7.285 1.00 0.00 C ATOM 1019 C ASN A 112 -8.697 3.462 -8.186 1.00 0.00 C ATOM 1020 O ASN A 112 -9.728 2.789 -8.186 1.00 0.00 O ATOM 1021 CB ASN A 112 -8.496 5.955 -8.136 1.00 0.00 C ATOM 1022 CG ASN A 112 -9.097 7.155 -7.430 1.00 0.00 C ATOM 1023 OD1 ASN A 112 -9.959 7.844 -7.976 1.00 0.00 O ATOM 1024 ND2 ASN A 112 -8.643 7.411 -6.209 1.00 0.00 N ATOM 0 H ASN A 112 -6.865 5.455 -6.320 1.00 0.00 H new ATOM 0 HA ASN A 112 -9.435 4.737 -6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -7.457 6.168 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.024 5.787 -9.075 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.010 8.205 -5.685 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.928 6.813 -5.795 1.00 0.00 H new ATOM 1031 N TYR A 113 -7.649 3.178 -8.952 1.00 0.00 N ATOM 1032 CA TYR A 113 -7.652 2.037 -9.859 1.00 0.00 C ATOM 1033 C TYR A 113 -8.242 0.804 -9.181 1.00 0.00 C ATOM 1034 O TYR A 113 -8.960 0.022 -9.806 1.00 0.00 O ATOM 1035 CB TYR A 113 -6.231 1.738 -10.341 1.00 0.00 C ATOM 1036 CG TYR A 113 -6.117 0.454 -11.128 1.00 0.00 C ATOM 1037 CD1 TYR A 113 -6.764 0.304 -12.350 1.00 0.00 C ATOM 1038 CD2 TYR A 113 -5.364 -0.613 -10.652 1.00 0.00 C ATOM 1039 CE1 TYR A 113 -6.662 -0.868 -13.074 1.00 0.00 C ATOM 1040 CE2 TYR A 113 -5.257 -1.789 -11.370 1.00 0.00 C ATOM 1041 CZ TYR A 113 -5.908 -1.911 -12.580 1.00 0.00 C ATOM 1042 OH TYR A 113 -5.804 -3.081 -13.297 1.00 0.00 O ATOM 0 H TYR A 113 -6.787 3.723 -8.962 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.274 2.289 -10.718 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -5.885 2.566 -10.960 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -5.567 1.686 -9.478 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -7.357 1.118 -12.740 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -4.854 -0.521 -9.705 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -7.170 -0.967 -14.022 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -4.667 -2.608 -10.986 1.00 0.00 H new ATOM 0 HH TYR A 113 -5.236 -3.714 -12.810 1.00 0.00 H new ATOM 1052 N TYR A 114 -7.934 0.637 -7.901 1.00 0.00 N ATOM 1053 CA TYR A 114 -8.431 -0.501 -7.137 1.00 0.00 C ATOM 1054 C TYR A 114 -9.784 -0.185 -6.506 1.00 0.00 C ATOM 1055 O TYR A 114 -10.616 -1.071 -6.319 1.00 0.00 O ATOM 1056 CB TYR A 114 -7.427 -0.891 -6.051 1.00 0.00 C ATOM 1057 CG TYR A 114 -6.114 -1.402 -6.596 1.00 0.00 C ATOM 1058 CD1 TYR A 114 -6.078 -2.432 -7.528 1.00 0.00 C ATOM 1059 CD2 TYR A 114 -4.906 -0.855 -6.179 1.00 0.00 C ATOM 1060 CE1 TYR A 114 -4.880 -2.902 -8.028 1.00 0.00 C ATOM 1061 CE2 TYR A 114 -3.703 -1.317 -6.675 1.00 0.00 C ATOM 1062 CZ TYR A 114 -3.694 -2.342 -7.599 1.00 0.00 C ATOM 1063 OH TYR A 114 -2.498 -2.807 -8.096 1.00 0.00 O ATOM 0 H TYR A 114 -7.342 1.275 -7.370 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.558 -1.339 -7.823 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.235 -0.025 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -7.871 -1.658 -5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.004 -2.873 -7.867 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -4.908 -0.054 -5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.871 -3.704 -8.751 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -2.774 -0.879 -6.342 1.00 0.00 H new ATOM 0 HH TYR A 114 -1.759 -2.306 -7.693 1.00 0.00 H new ATOM 1073 N SER A 115 -9.995 1.087 -6.180 1.00 0.00 N ATOM 1074 CA SER A 115 -11.244 1.521 -5.566 1.00 0.00 C ATOM 1075 C SER A 115 -12.439 0.834 -6.222 1.00 0.00 C ATOM 1076 O SER A 115 -13.411 0.486 -5.553 1.00 0.00 O ATOM 1077 CB SER A 115 -11.390 3.040 -5.678 1.00 0.00 C ATOM 1078 OG SER A 115 -12.667 3.464 -5.235 1.00 0.00 O ATOM 0 H SER A 115 -9.317 1.834 -6.331 1.00 0.00 H new ATOM 0 HA SER A 115 -11.219 1.242 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.616 3.527 -5.085 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.240 3.347 -6.713 1.00 0.00 H new ATOM 0 HG SER A 115 -12.734 4.438 -5.315 1.00 0.00 H new ATOM 1084 N ALA A 116 -12.356 0.644 -7.534 1.00 0.00 N ATOM 1085 CA ALA A 116 -13.428 -0.003 -8.280 1.00 0.00 C ATOM 1086 C ALA A 116 -13.059 -1.438 -8.639 1.00 0.00 C ATOM 1087 O ALA A 116 -13.902 -2.335 -8.597 1.00 0.00 O ATOM 1088 CB ALA A 116 -13.750 0.792 -9.539 1.00 0.00 C ATOM 0 H ALA A 116 -11.558 0.929 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 116 -14.313 -0.031 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.552 0.297 -10.086 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.066 1.798 -9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -12.863 0.850 -10.169 1.00 0.00 H new ATOM 1094 N VAL A 117 -11.795 -1.649 -8.994 1.00 0.00 N ATOM 1095 CA VAL A 117 -11.316 -2.976 -9.359 1.00 0.00 C ATOM 1096 C VAL A 117 -10.738 -3.705 -8.150 1.00 0.00 C ATOM 1097 O VAL A 117 -9.958 -3.139 -7.384 1.00 0.00 O ATOM 1098 CB VAL A 117 -10.241 -2.900 -10.460 1.00 0.00 C ATOM 1099 CG1 VAL A 117 -9.729 -4.291 -10.802 1.00 0.00 C ATOM 1100 CG2 VAL A 117 -10.793 -2.207 -11.696 1.00 0.00 C ATOM 0 H VAL A 117 -11.085 -0.918 -9.036 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.176 -3.530 -9.736 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.403 -2.312 -10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.970 -4.218 -11.581 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.293 -4.747 -9.913 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.556 -4.906 -11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.020 -2.162 -12.464 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.649 -2.766 -12.075 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.106 -1.196 -11.437 1.00 0.00 H new ATOM 1110 N THR A 118 -11.128 -4.964 -7.984 1.00 0.00 N ATOM 1111 CA THR A 118 -10.650 -5.772 -6.868 1.00 0.00 C ATOM 1112 C THR A 118 -9.572 -6.751 -7.319 1.00 0.00 C ATOM 1113 O THR A 118 -9.853 -7.782 -7.931 1.00 0.00 O ATOM 1114 CB THR A 118 -11.800 -6.558 -6.211 1.00 0.00 C ATOM 1115 OG1 THR A 118 -12.894 -5.679 -5.926 1.00 0.00 O ATOM 1116 CG2 THR A 118 -11.333 -7.227 -4.927 1.00 0.00 C ATOM 0 H THR A 118 -11.774 -5.447 -8.608 1.00 0.00 H new ATOM 0 HA THR A 118 -10.227 -5.083 -6.137 1.00 0.00 H new ATOM 0 HB THR A 118 -12.127 -7.331 -6.907 1.00 0.00 H new ATOM 0 HG1 THR A 118 -13.622 -6.187 -5.510 1.00 0.00 H new ATOM 0 HG21 THR A 118 -12.162 -7.776 -4.481 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.519 -7.917 -5.151 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.982 -6.468 -4.228 1.00 0.00 H new ATOM 1124 N PRO A 119 -8.308 -6.425 -7.010 1.00 0.00 N ATOM 1125 CA PRO A 119 -7.163 -7.264 -7.372 1.00 0.00 C ATOM 1126 C PRO A 119 -7.042 -8.497 -6.482 1.00 0.00 C ATOM 1127 O PRO A 119 -7.782 -8.647 -5.509 1.00 0.00 O ATOM 1128 CB PRO A 119 -5.963 -6.336 -7.167 1.00 0.00 C ATOM 1129 CG PRO A 119 -6.406 -5.371 -6.122 1.00 0.00 C ATOM 1130 CD PRO A 119 -7.901 -5.213 -6.281 1.00 0.00 C ATOM 0 HA PRO A 119 -7.249 -7.654 -8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -5.083 -6.892 -6.845 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.696 -5.824 -8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.160 -5.739 -5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.901 -4.413 -6.241 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.400 -5.141 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.151 -4.309 -6.837 1.00 0.00 H new ATOM 1138 N HIS A 120 -6.104 -9.376 -6.821 1.00 0.00 N ATOM 1139 CA HIS A 120 -5.885 -10.595 -6.051 1.00 0.00 C ATOM 1140 C HIS A 120 -4.496 -11.166 -6.320 1.00 0.00 C ATOM 1141 O HIS A 120 -4.172 -11.529 -7.451 1.00 0.00 O ATOM 1142 CB HIS A 120 -6.953 -11.636 -6.390 1.00 0.00 C ATOM 1143 CG HIS A 120 -8.353 -11.113 -6.288 1.00 0.00 C ATOM 1144 ND1 HIS A 120 -9.016 -10.527 -7.345 1.00 0.00 N ATOM 1145 CD2 HIS A 120 -9.216 -11.094 -5.246 1.00 0.00 C ATOM 1146 CE1 HIS A 120 -10.226 -10.168 -6.957 1.00 0.00 C ATOM 1147 NE2 HIS A 120 -10.374 -10.501 -5.687 1.00 0.00 N ATOM 0 H HIS A 120 -5.484 -9.267 -7.623 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.956 -10.345 -4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.783 -12.002 -7.403 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -6.843 -12.489 -5.720 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -9.029 -11.474 -4.253 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -10.969 -9.684 -7.573 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -11.211 -10.344 -5.126 1.00 0.00 H new ATOM 1155 N LEU A 121 -3.680 -11.243 -5.275 1.00 0.00 N ATOM 1156 CA LEU A 121 -2.325 -11.769 -5.398 1.00 0.00 C ATOM 1157 C LEU A 121 -2.281 -13.248 -5.031 1.00 0.00 C ATOM 1158 O LEU A 121 -2.978 -13.693 -4.119 1.00 0.00 O ATOM 1159 CB LEU A 121 -1.367 -10.980 -4.505 1.00 0.00 C ATOM 1160 CG LEU A 121 -0.894 -9.634 -5.053 1.00 0.00 C ATOM 1161 CD1 LEU A 121 -0.377 -8.751 -3.927 1.00 0.00 C ATOM 1162 CD2 LEU A 121 0.181 -9.836 -6.111 1.00 0.00 C ATOM 0 H LEU A 121 -3.933 -10.948 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.013 -11.662 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -1.855 -10.808 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -0.491 -11.599 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.744 -9.134 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.045 -7.797 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.175 -8.578 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 121 0.459 -9.245 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.506 -8.867 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.031 -10.357 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.223 -10.429 -6.931 1.00 0.00 H new ATOM 1174 N ARG A 122 -1.454 -14.005 -5.744 1.00 0.00 N ATOM 1175 CA ARG A 122 -1.318 -15.435 -5.492 1.00 0.00 C ATOM 1176 C ARG A 122 -2.685 -16.096 -5.352 1.00 0.00 C ATOM 1177 O ARG A 122 -2.855 -17.037 -4.577 1.00 0.00 O ATOM 1178 CB ARG A 122 -0.491 -15.675 -4.228 1.00 0.00 C ATOM 1179 CG ARG A 122 0.934 -15.153 -4.323 1.00 0.00 C ATOM 1180 CD ARG A 122 1.861 -16.177 -4.958 1.00 0.00 C ATOM 1181 NE ARG A 122 3.247 -15.998 -4.535 1.00 0.00 N ATOM 1182 CZ ARG A 122 4.150 -16.973 -4.545 1.00 0.00 C ATOM 1183 NH1 ARG A 122 3.814 -18.188 -4.956 1.00 0.00 N ATOM 1184 NH2 ARG A 122 5.391 -16.732 -4.144 1.00 0.00 N ATOM 0 H ARG A 122 -0.868 -13.652 -6.501 1.00 0.00 H new ATOM 0 HA ARG A 122 -0.805 -15.881 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -0.988 -15.198 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.464 -16.745 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.948 -14.235 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.297 -14.900 -3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.528 -17.181 -4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.800 -16.097 -6.043 1.00 0.00 H new ATOM 0 HE ARG A 122 3.538 -15.074 -4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.860 -18.376 -5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.509 -18.934 -4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.653 -15.798 -3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.084 -17.480 -4.152 1.00 0.00 H new ATOM 1198 N ASN A 123 -3.659 -15.595 -6.105 1.00 0.00 N ATOM 1199 CA ASN A 123 -5.013 -16.136 -6.063 1.00 0.00 C ATOM 1200 C ASN A 123 -5.666 -15.865 -4.711 1.00 0.00 C ATOM 1201 O ASN A 123 -6.258 -16.759 -4.107 1.00 0.00 O ATOM 1202 CB ASN A 123 -4.992 -17.641 -6.340 1.00 0.00 C ATOM 1203 CG ASN A 123 -4.257 -17.984 -7.621 1.00 0.00 C ATOM 1204 OD1 ASN A 123 -3.029 -17.945 -7.674 1.00 0.00 O ATOM 1205 ND2 ASN A 123 -5.010 -18.321 -8.662 1.00 0.00 N ATOM 0 H ASN A 123 -3.536 -14.816 -6.751 1.00 0.00 H new ATOM 0 HA ASN A 123 -5.600 -15.639 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -4.518 -18.155 -5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -6.016 -18.010 -6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -4.572 -18.561 -9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -6.026 -18.340 -8.572 1.00 0.00 H new ATOM 1212 N GLN A 124 -5.552 -14.626 -4.244 1.00 0.00 N ATOM 1213 CA GLN A 124 -6.131 -14.237 -2.962 1.00 0.00 C ATOM 1214 C GLN A 124 -6.224 -12.720 -2.845 1.00 0.00 C ATOM 1215 O GLN A 124 -5.271 -11.992 -3.126 1.00 0.00 O ATOM 1216 CB GLN A 124 -5.298 -14.801 -1.811 1.00 0.00 C ATOM 1217 CG GLN A 124 -5.735 -14.303 -0.443 1.00 0.00 C ATOM 1218 CD GLN A 124 -6.786 -15.191 0.194 1.00 0.00 C ATOM 1219 OE1 GLN A 124 -7.485 -15.936 -0.494 1.00 0.00 O ATOM 1220 NE2 GLN A 124 -6.905 -15.116 1.514 1.00 0.00 N ATOM 0 H GLN A 124 -5.065 -13.875 -4.733 1.00 0.00 H new ATOM 0 HA GLN A 124 -7.139 -14.649 -2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.359 -15.889 -1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -4.252 -14.537 -1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.866 -14.247 0.213 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -6.129 -13.291 -0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -6.305 -14.485 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -7.596 -15.690 1.997 1.00 0.00 H new ATOM 1229 N PRO A 125 -7.397 -12.229 -2.420 1.00 0.00 N ATOM 1230 CA PRO A 125 -7.641 -10.793 -2.255 1.00 0.00 C ATOM 1231 C PRO A 125 -6.525 -10.100 -1.481 1.00 0.00 C ATOM 1232 O PRO A 125 -5.724 -10.752 -0.811 1.00 0.00 O ATOM 1233 CB PRO A 125 -8.950 -10.745 -1.463 1.00 0.00 C ATOM 1234 CG PRO A 125 -9.654 -12.009 -1.817 1.00 0.00 C ATOM 1235 CD PRO A 125 -8.576 -13.038 -2.067 1.00 0.00 C ATOM 0 HA PRO A 125 -7.686 -10.275 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.762 -10.684 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.544 -9.872 -1.733 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -10.314 -12.326 -1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -10.275 -11.873 -2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -8.393 -13.649 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -8.851 -13.718 -2.873 1.00 0.00 H new ATOM 1243 N ILE A 126 -6.477 -8.775 -1.580 1.00 0.00 N ATOM 1244 CA ILE A 126 -5.459 -7.995 -0.888 1.00 0.00 C ATOM 1245 C ILE A 126 -6.043 -6.702 -0.330 1.00 0.00 C ATOM 1246 O ILE A 126 -6.985 -6.141 -0.890 1.00 0.00 O ATOM 1247 CB ILE A 126 -4.282 -7.654 -1.819 1.00 0.00 C ATOM 1248 CG1 ILE A 126 -4.793 -7.023 -3.115 1.00 0.00 C ATOM 1249 CG2 ILE A 126 -3.463 -8.902 -2.119 1.00 0.00 C ATOM 1250 CD1 ILE A 126 -3.698 -6.427 -3.972 1.00 0.00 C ATOM 0 H ILE A 126 -7.131 -8.220 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 126 -5.094 -8.611 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 126 -3.639 -6.933 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -5.324 -7.780 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -5.515 -6.244 -2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.635 -8.644 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.071 -9.313 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -4.096 -9.644 -2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -4.135 -5.998 -4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -3.182 -5.647 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -2.987 -7.206 -4.248 1.00 0.00 H new ATOM 1262 N TYR A 127 -5.476 -6.231 0.776 1.00 0.00 N ATOM 1263 CA TYR A 127 -5.940 -5.004 1.411 1.00 0.00 C ATOM 1264 C TYR A 127 -5.075 -3.817 0.999 1.00 0.00 C ATOM 1265 O TYR A 127 -3.847 -3.885 1.046 1.00 0.00 O ATOM 1266 CB TYR A 127 -5.928 -5.156 2.932 1.00 0.00 C ATOM 1267 CG TYR A 127 -7.042 -6.028 3.463 1.00 0.00 C ATOM 1268 CD1 TYR A 127 -7.765 -6.859 2.615 1.00 0.00 C ATOM 1269 CD2 TYR A 127 -7.373 -6.022 4.813 1.00 0.00 C ATOM 1270 CE1 TYR A 127 -8.784 -7.657 3.096 1.00 0.00 C ATOM 1271 CE2 TYR A 127 -8.391 -6.818 5.302 1.00 0.00 C ATOM 1272 CZ TYR A 127 -9.093 -7.634 4.440 1.00 0.00 C ATOM 1273 OH TYR A 127 -10.108 -8.427 4.923 1.00 0.00 O ATOM 0 H TYR A 127 -4.694 -6.681 1.251 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.962 -4.817 1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.971 -5.577 3.239 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.002 -4.169 3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.526 -6.881 1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.825 -5.384 5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -9.336 -8.296 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -8.636 -6.801 6.354 1.00 0.00 H new ATOM 0 HH TYR A 127 -10.196 -8.293 5.890 1.00 0.00 H new ATOM 1283 N ILE A 128 -5.725 -2.730 0.597 1.00 0.00 N ATOM 1284 CA ILE A 128 -5.016 -1.527 0.180 1.00 0.00 C ATOM 1285 C ILE A 128 -5.694 -0.273 0.721 1.00 0.00 C ATOM 1286 O ILE A 128 -6.869 -0.025 0.449 1.00 0.00 O ATOM 1287 CB ILE A 128 -4.930 -1.429 -1.355 1.00 0.00 C ATOM 1288 CG1 ILE A 128 -4.253 -2.674 -1.931 1.00 0.00 C ATOM 1289 CG2 ILE A 128 -4.177 -0.172 -1.764 1.00 0.00 C ATOM 1290 CD1 ILE A 128 -4.395 -2.800 -3.431 1.00 0.00 C ATOM 0 H ILE A 128 -6.741 -2.658 0.551 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.008 -1.597 0.589 1.00 0.00 H new ATOM 0 HB ILE A 128 -5.941 -1.370 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -3.194 -2.653 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.677 -3.560 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -4.125 -0.117 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -4.698 0.705 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -3.168 -0.203 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -3.891 -3.705 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -5.452 -2.853 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -3.945 -1.932 -3.913 1.00 0.00 H new ATOM 1302 N GLN A 129 -4.946 0.514 1.487 1.00 0.00 N ATOM 1303 CA GLN A 129 -5.476 1.743 2.066 1.00 0.00 C ATOM 1304 C GLN A 129 -4.383 2.799 2.194 1.00 0.00 C ATOM 1305 O GLN A 129 -3.238 2.573 1.801 1.00 0.00 O ATOM 1306 CB GLN A 129 -6.093 1.461 3.436 1.00 0.00 C ATOM 1307 CG GLN A 129 -7.133 0.353 3.418 1.00 0.00 C ATOM 1308 CD GLN A 129 -8.163 0.502 4.521 1.00 0.00 C ATOM 1309 OE1 GLN A 129 -7.860 0.994 5.609 1.00 0.00 O ATOM 1310 NE2 GLN A 129 -9.391 0.076 4.246 1.00 0.00 N ATOM 0 H GLN A 129 -3.972 0.323 1.721 1.00 0.00 H new ATOM 0 HA GLN A 129 -6.249 2.126 1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -5.300 1.192 4.134 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -6.554 2.374 3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -7.638 0.350 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -6.634 -0.611 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.599 -0.325 3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.126 0.150 4.949 1.00 0.00 H new ATOM 1319 N TYR A 130 -4.744 3.952 2.745 1.00 0.00 N ATOM 1320 CA TYR A 130 -3.794 5.044 2.924 1.00 0.00 C ATOM 1321 C TYR A 130 -3.076 4.929 4.265 1.00 0.00 C ATOM 1322 O TYR A 130 -3.380 4.050 5.070 1.00 0.00 O ATOM 1323 CB TYR A 130 -4.511 6.392 2.830 1.00 0.00 C ATOM 1324 CG TYR A 130 -4.945 6.752 1.427 1.00 0.00 C ATOM 1325 CD1 TYR A 130 -5.806 5.928 0.712 1.00 0.00 C ATOM 1326 CD2 TYR A 130 -4.494 7.915 0.817 1.00 0.00 C ATOM 1327 CE1 TYR A 130 -6.205 6.252 -0.570 1.00 0.00 C ATOM 1328 CE2 TYR A 130 -4.888 8.248 -0.465 1.00 0.00 C ATOM 1329 CZ TYR A 130 -5.742 7.413 -1.154 1.00 0.00 C ATOM 1330 OH TYR A 130 -6.138 7.741 -2.432 1.00 0.00 O ATOM 0 H TYR A 130 -5.687 4.155 3.076 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.051 4.979 2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -5.387 6.374 3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -3.850 7.172 3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.169 5.018 1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -3.824 8.570 1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.875 5.601 -1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -4.529 9.157 -0.925 1.00 0.00 H new ATOM 0 HH TYR A 130 -6.154 8.716 -2.529 1.00 0.00 H new ATOM 1340 N SER A 131 -2.123 5.826 4.497 1.00 0.00 N ATOM 1341 CA SER A 131 -1.358 5.824 5.740 1.00 0.00 C ATOM 1342 C SER A 131 -1.771 6.991 6.632 1.00 0.00 C ATOM 1343 O SER A 131 -2.089 8.076 6.147 1.00 0.00 O ATOM 1344 CB SER A 131 0.140 5.901 5.440 1.00 0.00 C ATOM 1345 OG SER A 131 0.879 6.196 6.613 1.00 0.00 O ATOM 0 H SER A 131 -1.862 6.563 3.842 1.00 0.00 H new ATOM 0 HA SER A 131 -1.568 4.894 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.480 4.954 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.325 6.667 4.687 1.00 0.00 H new ATOM 0 HG SER A 131 1.834 6.238 6.396 1.00 0.00 H new