USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 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 96 THR OG1 : rot 180:sc= -0.192 USER MOD Set 1.2: A 97 ASN : amide:sc= 0 K(o=-0.19,f=0.43) USER MOD Set 2.1: A 79 SER OG : rot 178:sc= -0.161! USER MOD Set 2.2: A 82 THR OG1 : rot 141:sc= 0.0934 USER MOD Set 3.1: A 31 LYS NZ :NH3+ 146:sc= 1.15 (180deg=0) USER MOD Set 3.2: A 34 GLN : amide:sc= -2.91 K(o=-1.8,f=-13!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -170:sc= -1.45! USER MOD Single : A 23 TYR OH : rot 173:sc= -0.958 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -82:sc= 0.921 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.038 K(o=-0.038,f=-0.81) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -132:sc= 0 (180deg=-0.013) USER MOD Single : A 54 SER OG : rot 180:sc= -0.122 USER MOD Single : A 57 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.4!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= -0.408 (180deg=-1.57) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00473 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -110:sc= -0.924 (180deg=-6.11!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.7!) USER MOD Single : A 92 ASN : amide:sc= -0.976 K(o=-0.98,f=-2.7!) USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 108 MET CE :methyl -124:sc= -0.638 (180deg=-1.48) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-12!) USER MOD Single : B 9 SER OG : rot 127:sc= 1.19 USER MOD Single : B 10 SER OG : rot -170:sc= -0.453 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 0.460 -12.482 -5.024 1.00 0.00 N ATOM 223 CA ILE A 14 1.671 -11.596 -4.790 1.00 0.00 C ATOM 224 C ILE A 14 1.255 -10.205 -4.267 1.00 0.00 C ATOM 225 O ILE A 14 1.950 -9.617 -3.458 1.00 0.00 O ATOM 226 CB ILE A 14 2.392 -11.457 -6.152 1.00 0.00 C ATOM 227 CG1 ILE A 14 3.624 -10.541 -6.017 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.438 -10.848 -7.183 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.562 -11.055 -4.917 1.00 0.00 C ATOM 0 HA ILE A 14 2.323 -12.038 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 14 2.710 -12.448 -6.475 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.158 -10.498 -6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.305 -9.525 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.950 -10.752 -8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.568 -11.494 -7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.116 -9.864 -6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.426 -10.395 -4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.031 -11.074 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.897 -12.062 -5.166 1.00 0.00 H new ATOM 241 N GLU A 15 0.121 -9.679 -4.700 1.00 0.00 N ATOM 242 CA GLU A 15 -0.320 -8.329 -4.183 1.00 0.00 C ATOM 243 C GLU A 15 -0.332 -8.338 -2.641 1.00 0.00 C ATOM 244 O GLU A 15 -0.033 -7.342 -2.014 1.00 0.00 O ATOM 245 CB GLU A 15 -1.740 -8.079 -4.725 1.00 0.00 C ATOM 246 CG GLU A 15 -1.665 -7.157 -5.948 1.00 0.00 C ATOM 247 CD GLU A 15 -1.730 -7.993 -7.228 1.00 0.00 C ATOM 248 OE1 GLU A 15 -2.830 -8.228 -7.702 1.00 0.00 O ATOM 249 OE2 GLU A 15 -0.681 -8.385 -7.711 1.00 0.00 O ATOM 0 H GLU A 15 -0.507 -10.116 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 15 0.361 -7.543 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.209 -9.025 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.361 -7.626 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.487 -6.442 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.740 -6.581 -5.925 1.00 0.00 H new ATOM 256 N GLY A 16 -0.653 -9.462 -2.023 1.00 0.00 N ATOM 257 CA GLY A 16 -0.648 -9.518 -0.532 1.00 0.00 C ATOM 258 C GLY A 16 0.799 -9.369 -0.030 1.00 0.00 C ATOM 259 O GLY A 16 1.049 -8.698 0.953 1.00 0.00 O ATOM 0 H GLY A 16 -0.915 -10.330 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.272 -8.723 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.070 -10.463 -0.189 1.00 0.00 H new ATOM 263 N ARG A 17 1.762 -9.982 -0.701 1.00 0.00 N ATOM 264 CA ARG A 17 3.197 -9.850 -0.246 1.00 0.00 C ATOM 265 C ARG A 17 3.606 -8.372 -0.180 1.00 0.00 C ATOM 266 O ARG A 17 4.391 -7.993 0.667 1.00 0.00 O ATOM 267 CB ARG A 17 4.064 -10.592 -1.277 1.00 0.00 C ATOM 268 CG ARG A 17 4.250 -12.046 -0.837 1.00 0.00 C ATOM 269 CD ARG A 17 5.508 -12.621 -1.490 1.00 0.00 C ATOM 270 NE ARG A 17 5.557 -14.042 -1.044 1.00 0.00 N ATOM 271 CZ ARG A 17 6.298 -14.382 -0.025 1.00 0.00 C ATOM 272 NH1 ARG A 17 7.588 -14.505 -0.169 1.00 0.00 N ATOM 273 NH2 ARG A 17 5.747 -14.599 1.139 1.00 0.00 N ATOM 0 H ARG A 17 1.619 -10.559 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 17 3.325 -10.272 0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.591 -10.556 -2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.033 -10.103 -1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.334 -12.101 0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.379 -12.637 -1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.457 -12.550 -2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.399 -12.078 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 17 5.011 -14.749 -1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.018 -14.335 -1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.167 -14.771 0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.738 -14.503 1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.326 -14.865 1.936 1.00 0.00 H new ATOM 287 N TYR A 18 3.080 -7.524 -1.049 1.00 0.00 N ATOM 288 CA TYR A 18 3.459 -6.061 -0.989 1.00 0.00 C ATOM 289 C TYR A 18 3.241 -5.527 0.437 1.00 0.00 C ATOM 290 O TYR A 18 4.032 -4.749 0.938 1.00 0.00 O ATOM 291 CB TYR A 18 2.531 -5.316 -1.965 1.00 0.00 C ATOM 292 CG TYR A 18 3.223 -5.099 -3.287 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.803 -6.178 -3.963 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.273 -3.816 -3.841 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.434 -5.972 -5.197 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.904 -3.608 -5.071 1.00 0.00 C ATOM 297 CZ TYR A 18 4.485 -4.687 -5.751 1.00 0.00 C ATOM 298 OH TYR A 18 5.106 -4.483 -6.966 1.00 0.00 O ATOM 0 H TYR A 18 2.418 -7.774 -1.783 1.00 0.00 H new ATOM 0 HA TYR A 18 4.506 -5.918 -1.255 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.616 -5.889 -2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.239 -4.356 -1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.764 -7.168 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.824 -2.985 -3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.881 -6.804 -5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.944 -2.616 -5.497 1.00 0.00 H new ATOM 0 HH TYR A 18 5.051 -3.535 -7.206 1.00 0.00 H new ATOM 308 N ALA A 19 2.184 -5.955 1.100 1.00 0.00 N ATOM 309 CA ALA A 19 1.949 -5.475 2.505 1.00 0.00 C ATOM 310 C ALA A 19 2.927 -6.173 3.456 1.00 0.00 C ATOM 311 O ALA A 19 3.436 -5.559 4.376 1.00 0.00 O ATOM 312 CB ALA A 19 0.503 -5.840 2.876 1.00 0.00 C ATOM 0 H ALA A 19 1.487 -6.604 0.736 1.00 0.00 H new ATOM 0 HA ALA A 19 2.105 -4.399 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.293 -5.507 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.184 -5.352 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.373 -6.920 2.814 1.00 0.00 H new ATOM 318 N THR A 20 3.207 -7.447 3.248 1.00 0.00 N ATOM 319 CA THR A 20 4.169 -8.142 4.169 1.00 0.00 C ATOM 320 C THR A 20 5.606 -7.705 3.874 1.00 0.00 C ATOM 321 O THR A 20 6.412 -7.615 4.783 1.00 0.00 O ATOM 322 CB THR A 20 3.988 -9.657 3.978 1.00 0.00 C ATOM 323 OG1 THR A 20 3.152 -9.907 2.852 1.00 0.00 O ATOM 324 CG2 THR A 20 3.342 -10.238 5.240 1.00 0.00 C ATOM 0 H THR A 20 2.820 -8.021 2.499 1.00 0.00 H new ATOM 0 HA THR A 20 3.967 -7.877 5.207 1.00 0.00 H new ATOM 0 HB THR A 20 4.957 -10.125 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.911 -10.857 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.208 -11.313 5.118 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.986 -10.048 6.099 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.372 -9.767 5.402 1.00 0.00 H new ATOM 332 N ALA A 21 5.943 -7.393 2.637 1.00 0.00 N ATOM 333 CA ALA A 21 7.343 -6.922 2.368 1.00 0.00 C ATOM 334 C ALA A 21 7.507 -5.462 2.830 1.00 0.00 C ATOM 335 O ALA A 21 8.620 -4.996 3.001 1.00 0.00 O ATOM 336 CB ALA A 21 7.575 -7.045 0.855 1.00 0.00 C ATOM 0 H ALA A 21 5.327 -7.443 1.825 1.00 0.00 H new ATOM 0 HA ALA A 21 8.072 -7.520 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.584 -6.712 0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.454 -8.085 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.852 -6.426 0.324 1.00 0.00 H new ATOM 342 N LEU A 22 6.424 -4.738 3.071 1.00 0.00 N ATOM 343 CA LEU A 22 6.569 -3.329 3.558 1.00 0.00 C ATOM 344 C LEU A 22 6.357 -3.318 5.068 1.00 0.00 C ATOM 345 O LEU A 22 7.140 -2.740 5.800 1.00 0.00 O ATOM 346 CB LEU A 22 5.488 -2.506 2.851 1.00 0.00 C ATOM 347 CG LEU A 22 5.642 -1.022 3.226 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.176 -0.237 2.025 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.282 -0.450 3.646 1.00 0.00 C ATOM 0 H LEU A 22 5.465 -5.063 2.951 1.00 0.00 H new ATOM 0 HA LEU A 22 7.554 -2.914 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.571 -2.629 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.499 -2.863 3.138 1.00 0.00 H new ATOM 0 HG LEU A 22 6.344 -0.935 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.283 0.813 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.146 -0.637 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.479 -0.328 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.396 0.601 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.578 -0.542 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.905 -1.002 4.507 1.00 0.00 H new ATOM 361 N TYR A 23 5.329 -3.987 5.550 1.00 0.00 N ATOM 362 CA TYR A 23 5.125 -4.033 7.020 1.00 0.00 C ATOM 363 C TYR A 23 6.154 -5.001 7.656 1.00 0.00 C ATOM 364 O TYR A 23 6.350 -4.959 8.852 1.00 0.00 O ATOM 365 CB TYR A 23 3.632 -4.432 7.251 1.00 0.00 C ATOM 366 CG TYR A 23 3.487 -5.773 7.933 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.833 -5.911 9.275 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.017 -6.868 7.214 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.717 -7.150 9.904 1.00 0.00 C ATOM 370 CE2 TYR A 23 2.898 -8.108 7.833 1.00 0.00 C ATOM 371 CZ TYR A 23 3.250 -8.257 9.182 1.00 0.00 C ATOM 372 OH TYR A 23 3.133 -9.486 9.799 1.00 0.00 O ATOM 0 H TYR A 23 4.640 -4.491 4.992 1.00 0.00 H new ATOM 0 HA TYR A 23 5.299 -3.074 7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.145 -3.667 7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.114 -4.458 6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.192 -5.057 9.830 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.745 -6.755 6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.986 -7.256 10.944 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.534 -8.957 7.274 1.00 0.00 H new ATOM 0 HH TYR A 23 2.691 -10.116 9.192 1.00 0.00 H new ATOM 382 N SER A 24 6.839 -5.860 6.885 1.00 0.00 N ATOM 383 CA SER A 24 7.864 -6.776 7.524 1.00 0.00 C ATOM 384 C SER A 24 8.815 -5.927 8.384 1.00 0.00 C ATOM 385 O SER A 24 9.134 -6.285 9.503 1.00 0.00 O ATOM 386 CB SER A 24 8.631 -7.457 6.383 1.00 0.00 C ATOM 387 OG SER A 24 9.962 -7.726 6.805 1.00 0.00 O ATOM 0 H SER A 24 6.731 -5.958 5.875 1.00 0.00 H new ATOM 0 HA SER A 24 7.398 -7.527 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.134 -8.384 6.098 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.639 -6.816 5.502 1.00 0.00 H new ATOM 0 HG SER A 24 10.454 -8.162 6.078 1.00 0.00 H new ATOM 393 N ALA A 25 9.204 -4.763 7.894 1.00 0.00 N ATOM 394 CA ALA A 25 10.056 -3.861 8.732 1.00 0.00 C ATOM 395 C ALA A 25 9.142 -3.240 9.800 1.00 0.00 C ATOM 396 O ALA A 25 9.512 -3.132 10.954 1.00 0.00 O ATOM 397 CB ALA A 25 10.620 -2.777 7.799 1.00 0.00 C ATOM 0 H ALA A 25 8.970 -4.409 6.966 1.00 0.00 H new ATOM 0 HA ALA A 25 10.879 -4.384 9.219 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.249 -2.096 8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.213 -3.246 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.798 -2.220 7.349 1.00 0.00 H new ATOM 403 N ALA A 26 7.928 -2.854 9.425 1.00 0.00 N ATOM 404 CA ALA A 26 6.979 -2.267 10.442 1.00 0.00 C ATOM 405 C ALA A 26 6.781 -3.249 11.614 1.00 0.00 C ATOM 406 O ALA A 26 6.691 -2.841 12.755 1.00 0.00 O ATOM 407 CB ALA A 26 5.639 -2.048 9.719 1.00 0.00 C ATOM 0 H ALA A 26 7.562 -2.920 8.475 1.00 0.00 H new ATOM 0 HA ALA A 26 7.371 -1.334 10.847 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.915 -1.623 10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.784 -1.364 8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.267 -3.002 9.346 1.00 0.00 H new ATOM 413 N SER A 27 6.719 -4.546 11.346 1.00 0.00 N ATOM 414 CA SER A 27 6.533 -5.541 12.472 1.00 0.00 C ATOM 415 C SER A 27 7.640 -5.336 13.517 1.00 0.00 C ATOM 416 O SER A 27 7.382 -5.329 14.707 1.00 0.00 O ATOM 417 CB SER A 27 6.649 -6.941 11.851 1.00 0.00 C ATOM 418 OG SER A 27 8.022 -7.254 11.656 1.00 0.00 O ATOM 0 H SER A 27 6.788 -4.953 10.413 1.00 0.00 H new ATOM 0 HA SER A 27 5.568 -5.414 12.963 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.184 -7.681 12.503 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.117 -6.975 10.900 1.00 0.00 H new ATOM 0 HG SER A 27 8.336 -6.844 10.823 1.00 0.00 H new ATOM 424 N LYS A 28 8.870 -5.139 13.080 1.00 0.00 N ATOM 425 CA LYS A 28 9.980 -4.903 14.067 1.00 0.00 C ATOM 426 C LYS A 28 9.756 -3.546 14.751 1.00 0.00 C ATOM 427 O LYS A 28 9.942 -3.413 15.947 1.00 0.00 O ATOM 428 CB LYS A 28 11.295 -4.890 13.270 1.00 0.00 C ATOM 429 CG LYS A 28 12.472 -5.106 14.222 1.00 0.00 C ATOM 430 CD LYS A 28 13.582 -5.868 13.497 1.00 0.00 C ATOM 431 CE LYS A 28 14.670 -6.263 14.497 1.00 0.00 C ATOM 432 NZ LYS A 28 15.111 -7.620 14.069 1.00 0.00 N ATOM 0 H LYS A 28 9.148 -5.132 12.099 1.00 0.00 H new ATOM 0 HA LYS A 28 10.010 -5.676 14.834 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.280 -5.672 12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.406 -3.940 12.747 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.847 -4.146 14.577 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.146 -5.665 15.099 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.173 -6.758 13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.007 -5.248 12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.498 -5.555 14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.284 -6.276 15.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.858 -7.960 14.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.303 -8.274 14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.480 -7.575 13.098 1.00 0.00 H new ATOM 446 N GLN A 29 9.334 -2.538 14.007 1.00 0.00 N ATOM 447 CA GLN A 29 9.076 -1.199 14.643 1.00 0.00 C ATOM 448 C GLN A 29 7.713 -1.177 15.373 1.00 0.00 C ATOM 449 O GLN A 29 7.395 -0.209 16.035 1.00 0.00 O ATOM 450 CB GLN A 29 9.082 -0.167 13.503 1.00 0.00 C ATOM 451 CG GLN A 29 10.447 -0.180 12.810 1.00 0.00 C ATOM 452 CD GLN A 29 10.761 1.222 12.274 1.00 0.00 C ATOM 453 OE1 GLN A 29 11.158 2.091 13.025 1.00 0.00 O ATOM 454 NE2 GLN A 29 10.602 1.487 11.001 1.00 0.00 N ATOM 0 H GLN A 29 9.160 -2.585 13.003 1.00 0.00 H new ATOM 0 HA GLN A 29 9.838 -0.978 15.390 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.295 -0.398 12.785 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.872 0.827 13.897 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.220 -0.494 13.511 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.445 -0.901 11.993 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.269 0.761 10.367 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.811 2.419 10.644 1.00 0.00 H new ATOM 463 N ASN A 30 6.893 -2.220 15.260 1.00 0.00 N ATOM 464 CA ASN A 30 5.557 -2.238 15.946 1.00 0.00 C ATOM 465 C ASN A 30 4.631 -1.205 15.300 1.00 0.00 C ATOM 466 O ASN A 30 3.891 -0.517 15.980 1.00 0.00 O ATOM 467 CB ASN A 30 5.803 -1.908 17.428 1.00 0.00 C ATOM 468 CG ASN A 30 4.863 -2.749 18.302 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.778 -3.097 17.879 1.00 0.00 O ATOM 470 ND2 ASN A 30 5.230 -3.095 19.512 1.00 0.00 N ATOM 0 H ASN A 30 7.103 -3.058 14.717 1.00 0.00 H new ATOM 0 HA ASN A 30 5.077 -3.212 15.855 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.841 -2.113 17.690 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.632 -0.847 17.609 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.606 -3.654 20.094 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.140 -2.805 19.871 1.00 0.00 H new ATOM 477 N LYS A 31 4.652 -1.100 13.986 1.00 0.00 N ATOM 478 CA LYS A 31 3.755 -0.121 13.303 1.00 0.00 C ATOM 479 C LYS A 31 2.605 -0.836 12.554 1.00 0.00 C ATOM 480 O LYS A 31 1.953 -0.232 11.726 1.00 0.00 O ATOM 481 CB LYS A 31 4.657 0.627 12.319 1.00 0.00 C ATOM 482 CG LYS A 31 5.695 1.441 13.094 1.00 0.00 C ATOM 483 CD LYS A 31 5.033 2.690 13.679 1.00 0.00 C ATOM 484 CE LYS A 31 5.786 3.128 14.938 1.00 0.00 C ATOM 485 NZ LYS A 31 5.839 4.613 14.856 1.00 0.00 N ATOM 0 H LYS A 31 5.249 -1.648 13.367 1.00 0.00 H new ATOM 0 HA LYS A 31 3.278 0.550 14.017 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.155 -0.081 11.656 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.059 1.286 11.690 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.124 0.836 13.893 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.515 1.726 12.435 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.036 3.494 12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.991 2.482 13.920 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.270 2.800 15.841 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.787 2.698 14.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.783 5.016 15.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.732 4.904 14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.039 4.958 14.288 1.00 0.00 H new ATOM 499 N LEU A 32 2.331 -2.107 12.841 1.00 0.00 N ATOM 500 CA LEU A 32 1.197 -2.829 12.140 1.00 0.00 C ATOM 501 C LEU A 32 -0.076 -1.966 12.163 1.00 0.00 C ATOM 502 O LEU A 32 -0.825 -1.943 11.206 1.00 0.00 O ATOM 503 CB LEU A 32 0.986 -4.137 12.936 1.00 0.00 C ATOM 504 CG LEU A 32 1.908 -5.266 12.416 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.299 -5.860 11.148 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.327 -4.745 12.120 1.00 0.00 C ATOM 0 H LEU A 32 2.840 -2.668 13.524 1.00 0.00 H new ATOM 0 HA LEU A 32 1.425 -3.030 11.093 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.186 -3.959 13.993 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.055 -4.449 12.857 1.00 0.00 H new ATOM 0 HG LEU A 32 1.991 -6.030 13.189 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.942 -6.657 10.774 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.313 -6.266 11.374 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.207 -5.082 10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.947 -5.565 11.757 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.277 -3.964 11.361 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.763 -4.337 13.032 1.00 0.00 H new ATOM 518 N GLU A 33 -0.308 -1.225 13.229 1.00 0.00 N ATOM 519 CA GLU A 33 -1.522 -0.337 13.259 1.00 0.00 C ATOM 520 C GLU A 33 -1.272 0.868 12.337 1.00 0.00 C ATOM 521 O GLU A 33 -2.140 1.268 11.584 1.00 0.00 O ATOM 522 CB GLU A 33 -1.704 0.125 14.714 1.00 0.00 C ATOM 523 CG GLU A 33 -3.189 0.352 14.996 1.00 0.00 C ATOM 524 CD GLU A 33 -3.465 0.146 16.487 1.00 0.00 C ATOM 525 OE1 GLU A 33 -2.620 0.522 17.283 1.00 0.00 O ATOM 526 OE2 GLU A 33 -4.516 -0.385 16.807 1.00 0.00 O ATOM 0 H GLU A 33 0.278 -1.196 14.063 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.417 -0.856 12.915 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.304 -0.624 15.397 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.146 1.045 14.887 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.476 1.361 14.699 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.791 -0.338 14.405 1.00 0.00 H new ATOM 533 N GLN A 34 -0.080 1.437 12.372 1.00 0.00 N ATOM 534 CA GLN A 34 0.222 2.605 11.466 1.00 0.00 C ATOM 535 C GLN A 34 0.124 2.187 9.990 1.00 0.00 C ATOM 536 O GLN A 34 -0.158 3.010 9.139 1.00 0.00 O ATOM 537 CB GLN A 34 1.654 3.063 11.797 1.00 0.00 C ATOM 538 CG GLN A 34 1.661 3.799 13.147 1.00 0.00 C ATOM 539 CD GLN A 34 2.416 5.130 13.015 1.00 0.00 C ATOM 540 OE1 GLN A 34 3.612 5.181 13.220 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.767 6.219 12.680 1.00 0.00 N ATOM 0 H GLN A 34 0.687 1.148 12.980 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.495 3.411 11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.322 2.202 11.837 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.027 3.720 11.011 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.638 3.983 13.476 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.134 3.177 13.907 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.763 6.181 12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.267 7.104 12.593 1.00 0.00 H new ATOM 550 N VAL A 35 0.363 0.930 9.666 1.00 0.00 N ATOM 551 CA VAL A 35 0.286 0.512 8.225 1.00 0.00 C ATOM 552 C VAL A 35 -1.020 -0.261 7.938 1.00 0.00 C ATOM 553 O VAL A 35 -1.593 -0.116 6.877 1.00 0.00 O ATOM 554 CB VAL A 35 1.510 -0.397 7.945 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.878 -0.294 6.466 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.740 0.004 8.786 1.00 0.00 C ATOM 0 H VAL A 35 0.604 0.190 10.325 1.00 0.00 H new ATOM 0 HA VAL A 35 0.291 1.391 7.581 1.00 0.00 H new ATOM 0 HB VAL A 35 1.233 -1.416 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.739 -0.931 6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.033 -0.617 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.125 0.740 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.572 -0.662 8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.021 1.031 8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.497 -0.074 9.846 1.00 0.00 H new ATOM 566 N GLU A 36 -1.492 -1.086 8.854 1.00 0.00 N ATOM 567 CA GLU A 36 -2.763 -1.860 8.579 1.00 0.00 C ATOM 568 C GLU A 36 -4.005 -0.948 8.560 1.00 0.00 C ATOM 569 O GLU A 36 -5.014 -1.310 7.981 1.00 0.00 O ATOM 570 CB GLU A 36 -2.906 -2.896 9.706 1.00 0.00 C ATOM 571 CG GLU A 36 -3.910 -3.972 9.286 1.00 0.00 C ATOM 572 CD GLU A 36 -5.310 -3.577 9.759 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.479 -3.383 10.951 1.00 0.00 O ATOM 574 OE2 GLU A 36 -6.191 -3.475 8.921 1.00 0.00 O ATOM 0 H GLU A 36 -1.064 -1.257 9.764 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.699 -2.328 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.939 -3.350 9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.241 -2.409 10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.901 -4.090 8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.628 -4.934 9.714 1.00 0.00 H new ATOM 581 N LYS A 37 -3.969 0.213 9.188 1.00 0.00 N ATOM 582 CA LYS A 37 -5.191 1.090 9.182 1.00 0.00 C ATOM 583 C LYS A 37 -5.120 2.139 8.069 1.00 0.00 C ATOM 584 O LYS A 37 -6.134 2.470 7.481 1.00 0.00 O ATOM 585 CB LYS A 37 -5.242 1.763 10.560 1.00 0.00 C ATOM 586 CG LYS A 37 -6.619 2.394 10.770 1.00 0.00 C ATOM 587 CD LYS A 37 -6.745 2.877 12.216 1.00 0.00 C ATOM 588 CE LYS A 37 -7.697 4.074 12.273 1.00 0.00 C ATOM 589 NZ LYS A 37 -9.033 3.489 12.574 1.00 0.00 N ATOM 0 H LYS A 37 -3.164 0.583 9.693 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.089 0.502 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.043 1.030 11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.466 2.525 10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.756 3.229 10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.401 1.668 10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.118 2.072 12.848 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.766 3.159 12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.394 4.783 13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.707 4.616 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.740 4.249 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.298 2.823 11.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.995 2.985 13.483 1.00 0.00 H new ATOM 603 N GLU A 38 -3.952 2.660 7.751 1.00 0.00 N ATOM 604 CA GLU A 38 -3.894 3.674 6.646 1.00 0.00 C ATOM 605 C GLU A 38 -4.029 2.957 5.294 1.00 0.00 C ATOM 606 O GLU A 38 -4.661 3.466 4.387 1.00 0.00 O ATOM 607 CB GLU A 38 -2.547 4.388 6.766 1.00 0.00 C ATOM 608 CG GLU A 38 -2.699 5.585 7.708 1.00 0.00 C ATOM 609 CD GLU A 38 -2.978 5.089 9.129 1.00 0.00 C ATOM 610 OE1 GLU A 38 -2.102 4.460 9.699 1.00 0.00 O ATOM 611 OE2 GLU A 38 -4.064 5.346 9.620 1.00 0.00 O ATOM 0 H GLU A 38 -3.062 2.434 8.195 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.704 4.400 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.790 3.702 7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.209 4.722 5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.791 6.189 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.513 6.226 7.369 1.00 0.00 H new ATOM 618 N LEU A 39 -3.467 1.766 5.149 1.00 0.00 N ATOM 619 CA LEU A 39 -3.616 1.028 3.839 1.00 0.00 C ATOM 620 C LEU A 39 -5.111 0.865 3.508 1.00 0.00 C ATOM 621 O LEU A 39 -5.506 0.968 2.363 1.00 0.00 O ATOM 622 CB LEU A 39 -2.962 -0.360 4.010 1.00 0.00 C ATOM 623 CG LEU A 39 -1.624 -0.394 3.269 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.654 0.601 3.909 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.035 -1.807 3.345 1.00 0.00 C ATOM 0 H LEU A 39 -2.924 1.283 5.865 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.139 1.577 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.808 -0.572 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.623 -1.135 3.622 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.781 -0.121 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.298 0.574 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.073 1.606 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.495 0.333 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.082 -1.833 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.880 -2.081 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.724 -2.514 2.883 1.00 0.00 H new ATOM 637 N LEU A 40 -5.951 0.621 4.504 1.00 0.00 N ATOM 638 CA LEU A 40 -7.424 0.470 4.212 1.00 0.00 C ATOM 639 C LEU A 40 -7.956 1.730 3.502 1.00 0.00 C ATOM 640 O LEU A 40 -8.815 1.640 2.645 1.00 0.00 O ATOM 641 CB LEU A 40 -8.130 0.291 5.567 1.00 0.00 C ATOM 642 CG LEU A 40 -9.606 -0.031 5.334 1.00 0.00 C ATOM 643 CD1 LEU A 40 -9.793 -1.548 5.253 1.00 0.00 C ATOM 644 CD2 LEU A 40 -10.437 0.520 6.495 1.00 0.00 C ATOM 0 H LEU A 40 -5.686 0.522 5.484 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.607 -0.383 3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.657 -0.512 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.034 1.199 6.162 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.933 0.426 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.846 -1.776 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.201 -1.944 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.465 -2.005 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.490 0.291 6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.108 0.062 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.306 1.600 6.556 1.00 0.00 H new ATOM 656 N ARG A 41 -7.454 2.905 3.845 1.00 0.00 N ATOM 657 CA ARG A 41 -7.951 4.157 3.166 1.00 0.00 C ATOM 658 C ARG A 41 -7.723 4.061 1.649 1.00 0.00 C ATOM 659 O ARG A 41 -8.571 4.455 0.870 1.00 0.00 O ATOM 660 CB ARG A 41 -7.144 5.329 3.747 1.00 0.00 C ATOM 661 CG ARG A 41 -7.729 6.651 3.245 1.00 0.00 C ATOM 662 CD ARG A 41 -8.732 7.187 4.269 1.00 0.00 C ATOM 663 NE ARG A 41 -9.801 7.833 3.458 1.00 0.00 N ATOM 664 CZ ARG A 41 -10.045 9.107 3.596 1.00 0.00 C ATOM 665 NH1 ARG A 41 -10.095 9.636 4.788 1.00 0.00 N ATOM 666 NH2 ARG A 41 -10.238 9.852 2.543 1.00 0.00 N ATOM 0 H ARG A 41 -6.734 3.049 4.553 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.019 4.295 3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.170 5.298 4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.098 5.246 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.932 7.377 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.220 6.502 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.135 6.383 4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.263 7.902 4.945 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.343 7.279 2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.943 9.053 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.286 10.632 4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.198 9.438 1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.429 10.848 2.651 1.00 0.00 H new ATOM 680 N VAL A 42 -6.590 3.535 1.219 1.00 0.00 N ATOM 681 CA VAL A 42 -6.342 3.421 -0.264 1.00 0.00 C ATOM 682 C VAL A 42 -7.421 2.528 -0.902 1.00 0.00 C ATOM 683 O VAL A 42 -7.886 2.801 -1.993 1.00 0.00 O ATOM 684 CB VAL A 42 -4.944 2.799 -0.436 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.629 2.628 -1.925 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.898 3.720 0.197 1.00 0.00 C ATOM 0 H VAL A 42 -5.841 3.187 1.817 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.387 4.394 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.923 1.824 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.639 2.188 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.372 1.974 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.652 3.601 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.907 3.282 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.926 4.693 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.115 3.841 1.258 1.00 0.00 H new ATOM 696 N GLY A 43 -7.832 1.467 -0.232 1.00 0.00 N ATOM 697 CA GLY A 43 -8.885 0.579 -0.808 1.00 0.00 C ATOM 698 C GLY A 43 -10.186 1.380 -0.970 1.00 0.00 C ATOM 699 O GLY A 43 -10.803 1.357 -2.019 1.00 0.00 O ATOM 0 H GLY A 43 -7.481 1.186 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.561 0.189 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.051 -0.279 -0.157 1.00 0.00 H new ATOM 703 N GLN A 44 -10.607 2.098 0.055 1.00 0.00 N ATOM 704 CA GLN A 44 -11.875 2.908 -0.071 1.00 0.00 C ATOM 705 C GLN A 44 -11.737 3.920 -1.221 1.00 0.00 C ATOM 706 O GLN A 44 -12.672 4.147 -1.964 1.00 0.00 O ATOM 707 CB GLN A 44 -12.065 3.649 1.263 1.00 0.00 C ATOM 708 CG GLN A 44 -13.554 3.914 1.494 1.00 0.00 C ATOM 709 CD GLN A 44 -13.822 4.067 2.996 1.00 0.00 C ATOM 710 OE1 GLN A 44 -13.742 3.106 3.736 1.00 0.00 O ATOM 711 NE2 GLN A 44 -14.138 5.241 3.488 1.00 0.00 N ATOM 0 H GLN A 44 -10.138 2.159 0.959 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.730 2.268 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.660 3.055 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.515 4.590 1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.859 4.817 0.966 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.147 3.093 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.206 6.051 2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.315 5.344 4.487 1.00 0.00 H new ATOM 720 N ILE A 45 -10.573 4.525 -1.383 1.00 0.00 N ATOM 721 CA ILE A 45 -10.392 5.518 -2.508 1.00 0.00 C ATOM 722 C ILE A 45 -10.686 4.828 -3.850 1.00 0.00 C ATOM 723 O ILE A 45 -11.329 5.401 -4.710 1.00 0.00 O ATOM 724 CB ILE A 45 -8.922 5.998 -2.426 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.727 6.799 -1.134 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.570 6.892 -3.619 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.260 6.731 -0.699 1.00 0.00 C ATOM 0 H ILE A 45 -9.752 4.378 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.072 6.366 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.272 5.123 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.022 7.837 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.368 6.400 -0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.532 7.216 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.704 6.333 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.223 7.765 -3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.126 7.302 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.980 5.692 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.628 7.151 -1.482 1.00 0.00 H new ATOM 739 N LEU A 46 -10.253 3.597 -4.028 1.00 0.00 N ATOM 740 CA LEU A 46 -10.560 2.892 -5.317 1.00 0.00 C ATOM 741 C LEU A 46 -11.983 2.312 -5.265 1.00 0.00 C ATOM 742 O LEU A 46 -12.657 2.245 -6.276 1.00 0.00 O ATOM 743 CB LEU A 46 -9.525 1.771 -5.480 1.00 0.00 C ATOM 744 CG LEU A 46 -9.757 1.056 -6.816 1.00 0.00 C ATOM 745 CD1 LEU A 46 -9.575 2.047 -7.972 1.00 0.00 C ATOM 746 CD2 LEU A 46 -8.755 -0.088 -6.961 1.00 0.00 C ATOM 0 H LEU A 46 -9.711 3.060 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.510 3.578 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.517 2.184 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.607 1.062 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.771 0.657 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.741 1.535 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.292 2.861 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.563 2.450 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.919 -0.597 -7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.741 0.311 -6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.889 -0.795 -6.142 1.00 0.00 H new ATOM 758 N LYS A 47 -12.467 1.924 -4.097 1.00 0.00 N ATOM 759 CA LYS A 47 -13.865 1.391 -4.018 1.00 0.00 C ATOM 760 C LYS A 47 -14.854 2.555 -4.176 1.00 0.00 C ATOM 761 O LYS A 47 -15.957 2.366 -4.656 1.00 0.00 O ATOM 762 CB LYS A 47 -14.021 0.740 -2.635 1.00 0.00 C ATOM 763 CG LYS A 47 -15.414 0.120 -2.515 1.00 0.00 C ATOM 764 CD LYS A 47 -15.503 -0.688 -1.219 1.00 0.00 C ATOM 765 CE LYS A 47 -16.969 -0.822 -0.802 1.00 0.00 C ATOM 766 NZ LYS A 47 -16.953 -1.738 0.373 1.00 0.00 N ATOM 0 H LYS A 47 -11.959 1.955 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.063 0.662 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.258 -0.025 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.874 1.485 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.173 0.902 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.612 -0.524 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.063 -1.675 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.933 -0.196 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.395 0.147 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.574 -1.229 -1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.924 -1.879 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.548 -2.654 0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.375 -1.321 1.130 1.00 0.00 H new ATOM 780 N GLU A 48 -14.480 3.768 -3.782 1.00 0.00 N ATOM 781 CA GLU A 48 -15.431 4.925 -3.931 1.00 0.00 C ATOM 782 C GLU A 48 -15.936 5.014 -5.388 1.00 0.00 C ATOM 783 O GLU A 48 -15.153 4.887 -6.306 1.00 0.00 O ATOM 784 CB GLU A 48 -14.637 6.191 -3.572 1.00 0.00 C ATOM 785 CG GLU A 48 -14.781 6.478 -2.077 1.00 0.00 C ATOM 786 CD GLU A 48 -14.467 7.950 -1.807 1.00 0.00 C ATOM 787 OE1 GLU A 48 -15.265 8.787 -2.196 1.00 0.00 O ATOM 788 OE2 GLU A 48 -13.435 8.217 -1.214 1.00 0.00 O ATOM 0 H GLU A 48 -13.574 3.997 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.301 4.806 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.586 6.058 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.002 7.038 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.793 6.245 -1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.105 5.841 -1.507 1.00 0.00 H new ATOM 795 N PRO A 49 -17.225 5.220 -5.562 1.00 0.00 N ATOM 796 CA PRO A 49 -17.791 5.308 -6.936 1.00 0.00 C ATOM 797 C PRO A 49 -17.366 6.613 -7.632 1.00 0.00 C ATOM 798 O PRO A 49 -17.152 6.630 -8.830 1.00 0.00 O ATOM 799 CB PRO A 49 -19.299 5.279 -6.709 1.00 0.00 C ATOM 800 CG PRO A 49 -19.488 5.787 -5.317 1.00 0.00 C ATOM 801 CD PRO A 49 -18.265 5.391 -4.534 1.00 0.00 C ATOM 0 HA PRO A 49 -17.444 4.503 -7.584 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.820 5.906 -7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.696 4.270 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.613 6.870 -5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.387 5.362 -4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.989 6.158 -3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.430 4.470 -3.975 1.00 0.00 H new ATOM 809 N LYS A 50 -17.221 7.702 -6.901 1.00 0.00 N ATOM 810 CA LYS A 50 -16.783 8.984 -7.559 1.00 0.00 C ATOM 811 C LYS A 50 -15.265 8.940 -7.792 1.00 0.00 C ATOM 812 O LYS A 50 -14.771 9.449 -8.781 1.00 0.00 O ATOM 813 CB LYS A 50 -17.146 10.123 -6.594 1.00 0.00 C ATOM 814 CG LYS A 50 -18.642 10.431 -6.706 1.00 0.00 C ATOM 815 CD LYS A 50 -18.922 11.122 -8.042 1.00 0.00 C ATOM 816 CE LYS A 50 -20.137 12.042 -7.896 1.00 0.00 C ATOM 817 NZ LYS A 50 -20.883 11.899 -9.176 1.00 0.00 N ATOM 0 H LYS A 50 -17.384 7.759 -5.896 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.270 9.130 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.898 9.840 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.562 11.013 -6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.220 9.510 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.955 11.071 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.051 11.698 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.107 10.378 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.753 11.751 -7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.832 13.075 -7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -21.731 12.501 -9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.274 12.190 -9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.166 10.906 -9.304 1.00 0.00 H new ATOM 831 N MET A 51 -14.519 8.321 -6.897 1.00 0.00 N ATOM 832 CA MET A 51 -13.034 8.232 -7.085 1.00 0.00 C ATOM 833 C MET A 51 -12.668 7.015 -7.961 1.00 0.00 C ATOM 834 O MET A 51 -11.666 7.037 -8.652 1.00 0.00 O ATOM 835 CB MET A 51 -12.444 8.082 -5.679 1.00 0.00 C ATOM 836 CG MET A 51 -10.924 8.051 -5.764 1.00 0.00 C ATOM 837 SD MET A 51 -10.310 9.667 -6.302 1.00 0.00 S ATOM 838 CE MET A 51 -8.596 9.170 -6.601 1.00 0.00 C ATOM 0 H MET A 51 -14.876 7.877 -6.051 1.00 0.00 H new ATOM 0 HA MET A 51 -12.642 9.114 -7.592 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.766 8.910 -5.048 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.811 7.166 -5.215 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.501 7.795 -4.792 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.605 7.279 -6.464 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.922 9.886 -6.130 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.425 8.180 -6.179 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.406 9.145 -7.674 1.00 0.00 H new ATOM 848 N ALA A 52 -13.460 5.954 -7.949 1.00 0.00 N ATOM 849 CA ALA A 52 -13.117 4.756 -8.803 1.00 0.00 C ATOM 850 C ALA A 52 -12.988 5.172 -10.279 1.00 0.00 C ATOM 851 O ALA A 52 -12.127 4.684 -10.988 1.00 0.00 O ATOM 852 CB ALA A 52 -14.270 3.752 -8.640 1.00 0.00 C ATOM 0 H ALA A 52 -14.313 5.867 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.166 4.319 -8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.068 2.865 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.359 3.468 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.201 4.211 -8.972 1.00 0.00 H new ATOM 858 N ALA A 53 -13.832 6.069 -10.749 1.00 0.00 N ATOM 859 CA ALA A 53 -13.735 6.501 -12.193 1.00 0.00 C ATOM 860 C ALA A 53 -12.342 7.085 -12.488 1.00 0.00 C ATOM 861 O ALA A 53 -11.812 6.900 -13.568 1.00 0.00 O ATOM 862 CB ALA A 53 -14.810 7.579 -12.407 1.00 0.00 C ATOM 0 H ALA A 53 -14.573 6.515 -10.208 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.886 5.653 -12.860 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.779 7.924 -13.441 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.793 7.160 -12.194 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.621 8.419 -11.738 1.00 0.00 H new ATOM 868 N SER A 54 -11.740 7.789 -11.546 1.00 0.00 N ATOM 869 CA SER A 54 -10.376 8.375 -11.811 1.00 0.00 C ATOM 870 C SER A 54 -9.302 7.275 -11.763 1.00 0.00 C ATOM 871 O SER A 54 -8.481 7.173 -12.655 1.00 0.00 O ATOM 872 CB SER A 54 -10.121 9.413 -10.708 1.00 0.00 C ATOM 873 OG SER A 54 -9.313 10.461 -11.228 1.00 0.00 O ATOM 0 H SER A 54 -12.126 7.980 -10.622 1.00 0.00 H new ATOM 0 HA SER A 54 -10.333 8.832 -12.800 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.067 9.814 -10.344 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.626 8.944 -9.858 1.00 0.00 H new ATOM 0 HG SER A 54 -9.149 11.126 -10.527 1.00 0.00 H new ATOM 879 N LEU A 55 -9.295 6.452 -10.734 1.00 0.00 N ATOM 880 CA LEU A 55 -8.250 5.362 -10.655 1.00 0.00 C ATOM 881 C LEU A 55 -8.286 4.478 -11.916 1.00 0.00 C ATOM 882 O LEU A 55 -7.264 3.971 -12.343 1.00 0.00 O ATOM 883 CB LEU A 55 -8.579 4.516 -9.412 1.00 0.00 C ATOM 884 CG LEU A 55 -7.753 5.015 -8.220 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.612 5.005 -6.956 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.542 4.101 -8.016 1.00 0.00 C ATOM 0 H LEU A 55 -9.954 6.483 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.252 5.795 -10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.643 4.583 -9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.360 3.466 -9.605 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.414 6.031 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.021 5.360 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.473 5.658 -7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.955 3.990 -6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.956 4.457 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.882 3.084 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.924 4.110 -8.914 1.00 0.00 H new ATOM 898 N LEU A 56 -9.443 4.283 -12.516 1.00 0.00 N ATOM 899 CA LEU A 56 -9.510 3.424 -13.748 1.00 0.00 C ATOM 900 C LEU A 56 -9.501 4.274 -15.037 1.00 0.00 C ATOM 901 O LEU A 56 -9.074 3.802 -16.075 1.00 0.00 O ATOM 902 CB LEU A 56 -10.823 2.636 -13.636 1.00 0.00 C ATOM 903 CG LEU A 56 -10.945 1.669 -14.816 1.00 0.00 C ATOM 904 CD1 LEU A 56 -11.635 0.383 -14.356 1.00 0.00 C ATOM 905 CD2 LEU A 56 -11.772 2.323 -15.927 1.00 0.00 C ATOM 0 H LEU A 56 -10.333 4.676 -12.210 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.642 2.768 -13.810 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.848 2.084 -12.697 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.670 3.322 -13.626 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.951 1.431 -15.194 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.721 -0.305 -15.197 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.047 -0.083 -13.565 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.629 0.619 -13.977 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.860 1.635 -16.768 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.766 2.562 -15.548 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.280 3.238 -16.256 1.00 0.00 H new ATOM 917 N ASN A 57 -9.974 5.510 -15.002 1.00 0.00 N ATOM 918 CA ASN A 57 -9.985 6.347 -16.261 1.00 0.00 C ATOM 919 C ASN A 57 -8.598 6.364 -16.928 1.00 0.00 C ATOM 920 O ASN A 57 -7.593 6.310 -16.250 1.00 0.00 O ATOM 921 CB ASN A 57 -10.375 7.777 -15.844 1.00 0.00 C ATOM 922 CG ASN A 57 -11.875 7.992 -16.081 1.00 0.00 C ATOM 923 OD1 ASN A 57 -12.452 7.382 -16.959 1.00 0.00 O ATOM 924 ND2 ASN A 57 -12.541 8.838 -15.332 1.00 0.00 N ATOM 0 H ASN A 57 -10.347 5.969 -14.171 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.689 5.932 -16.982 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.136 7.938 -14.793 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.798 8.503 -16.417 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.539 8.981 -15.488 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.061 9.353 -14.594 1.00 0.00 H new ATOM 931 N PRO A 58 -8.586 6.462 -18.246 1.00 0.00 N ATOM 932 CA PRO A 58 -7.301 6.513 -18.984 1.00 0.00 C ATOM 933 C PRO A 58 -6.674 7.930 -18.950 1.00 0.00 C ATOM 934 O PRO A 58 -5.602 8.136 -19.490 1.00 0.00 O ATOM 935 CB PRO A 58 -7.693 6.143 -20.410 1.00 0.00 C ATOM 936 CG PRO A 58 -9.137 6.518 -20.540 1.00 0.00 C ATOM 937 CD PRO A 58 -9.740 6.529 -19.158 1.00 0.00 C ATOM 0 HA PRO A 58 -6.552 5.850 -18.551 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.082 6.679 -21.136 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.546 5.079 -20.593 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.236 7.498 -21.007 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.660 5.806 -21.179 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.326 7.432 -18.989 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.410 5.682 -19.012 1.00 0.00 H new ATOM 945 N TYR A 59 -7.314 8.908 -18.327 1.00 0.00 N ATOM 946 CA TYR A 59 -6.722 10.287 -18.281 1.00 0.00 C ATOM 947 C TYR A 59 -5.820 10.438 -17.046 1.00 0.00 C ATOM 948 O TYR A 59 -4.806 11.110 -17.101 1.00 0.00 O ATOM 949 CB TYR A 59 -7.917 11.249 -18.199 1.00 0.00 C ATOM 950 CG TYR A 59 -8.765 11.087 -19.439 1.00 0.00 C ATOM 951 CD1 TYR A 59 -9.810 10.154 -19.459 1.00 0.00 C ATOM 952 CD2 TYR A 59 -8.498 11.862 -20.574 1.00 0.00 C ATOM 953 CE1 TYR A 59 -10.585 9.996 -20.612 1.00 0.00 C ATOM 954 CE2 TYR A 59 -9.275 11.704 -21.728 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.319 10.772 -21.746 1.00 0.00 C ATOM 956 OH TYR A 59 -11.083 10.614 -22.885 1.00 0.00 O ATOM 0 H TYR A 59 -8.212 8.806 -17.854 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.103 10.492 -19.155 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.509 11.039 -17.308 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.567 12.278 -18.114 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.017 9.557 -18.583 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.693 12.582 -20.559 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.389 9.275 -20.628 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.069 12.301 -22.604 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.767 11.230 -23.579 1.00 0.00 H new ATOM 966 N VAL A 60 -6.167 9.821 -15.930 1.00 0.00 N ATOM 967 CA VAL A 60 -5.290 9.951 -14.704 1.00 0.00 C ATOM 968 C VAL A 60 -3.845 9.499 -15.020 1.00 0.00 C ATOM 969 O VAL A 60 -2.904 9.987 -14.422 1.00 0.00 O ATOM 970 CB VAL A 60 -5.911 9.058 -13.614 1.00 0.00 C ATOM 971 CG1 VAL A 60 -5.050 9.104 -12.348 1.00 0.00 C ATOM 972 CG2 VAL A 60 -7.315 9.569 -13.280 1.00 0.00 C ATOM 0 H VAL A 60 -7.001 9.245 -15.814 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.237 10.988 -14.372 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.964 8.033 -13.980 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.496 8.470 -11.582 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.047 8.745 -12.577 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.994 10.130 -11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.758 8.939 -12.509 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.252 10.595 -12.918 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.936 9.537 -14.175 1.00 0.00 H new ATOM 982 N LYS A 61 -3.652 8.577 -15.950 1.00 0.00 N ATOM 983 CA LYS A 61 -2.265 8.112 -16.288 1.00 0.00 C ATOM 984 C LYS A 61 -1.558 7.567 -15.036 1.00 0.00 C ATOM 985 O LYS A 61 -2.107 7.595 -13.950 1.00 0.00 O ATOM 986 CB LYS A 61 -1.530 9.348 -16.828 1.00 0.00 C ATOM 987 CG LYS A 61 -0.742 8.972 -18.086 1.00 0.00 C ATOM 988 CD LYS A 61 -1.659 9.052 -19.308 1.00 0.00 C ATOM 989 CE LYS A 61 -0.860 9.543 -20.517 1.00 0.00 C ATOM 990 NZ LYS A 61 -1.886 9.911 -21.532 1.00 0.00 N ATOM 0 H LYS A 61 -4.397 8.131 -16.485 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.280 7.304 -17.019 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.246 10.137 -17.058 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.855 9.742 -16.069 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.107 9.645 -18.211 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.338 7.964 -17.987 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.090 8.073 -19.517 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.489 9.729 -19.109 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.237 10.399 -20.257 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.194 8.766 -20.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.415 10.258 -22.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.460 9.075 -21.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.501 10.657 -21.149 1.00 0.00 H new ATOM 1004 N ARG A 62 -0.343 7.072 -15.176 1.00 0.00 N ATOM 1005 CA ARG A 62 0.386 6.531 -13.983 1.00 0.00 C ATOM 1006 C ARG A 62 1.428 7.550 -13.500 1.00 0.00 C ATOM 1007 O ARG A 62 1.468 7.889 -12.332 1.00 0.00 O ATOM 1008 CB ARG A 62 1.070 5.243 -14.456 1.00 0.00 C ATOM 1009 CG ARG A 62 1.811 4.596 -13.282 1.00 0.00 C ATOM 1010 CD ARG A 62 2.284 3.197 -13.683 1.00 0.00 C ATOM 1011 NE ARG A 62 3.667 3.392 -14.200 1.00 0.00 N ATOM 1012 CZ ARG A 62 3.909 3.281 -15.477 1.00 0.00 C ATOM 1013 NH1 ARG A 62 3.390 2.295 -16.157 1.00 0.00 N ATOM 1014 NH2 ARG A 62 4.672 4.156 -16.074 1.00 0.00 N ATOM 0 H ARG A 62 0.168 7.021 -16.058 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.288 6.336 -13.149 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.329 4.552 -14.857 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.769 5.465 -15.263 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.664 5.211 -12.994 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.155 4.534 -12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.273 2.517 -12.831 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.635 2.764 -14.444 1.00 0.00 H new ATOM 0 HE ARG A 62 4.426 3.613 -13.555 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.795 1.611 -15.690 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.580 2.209 -17.156 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.078 4.926 -15.542 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.862 4.070 -17.072 1.00 0.00 H new ATOM 1028 N SER A 63 2.270 8.054 -14.386 1.00 0.00 N ATOM 1029 CA SER A 63 3.299 9.067 -13.943 1.00 0.00 C ATOM 1030 C SER A 63 2.590 10.270 -13.303 1.00 0.00 C ATOM 1031 O SER A 63 3.013 10.768 -12.278 1.00 0.00 O ATOM 1032 CB SER A 63 4.064 9.506 -15.200 1.00 0.00 C ATOM 1033 OG SER A 63 5.347 9.987 -14.825 1.00 0.00 O ATOM 0 H SER A 63 2.290 7.814 -15.377 1.00 0.00 H new ATOM 0 HA SER A 63 3.982 8.645 -13.206 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.165 8.668 -15.890 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.510 10.285 -15.724 1.00 0.00 H new ATOM 0 HG SER A 63 5.838 10.266 -15.626 1.00 0.00 H new ATOM 1039 N VAL A 64 1.499 10.725 -13.888 1.00 0.00 N ATOM 1040 CA VAL A 64 0.759 11.883 -13.276 1.00 0.00 C ATOM 1041 C VAL A 64 0.119 11.424 -11.958 1.00 0.00 C ATOM 1042 O VAL A 64 0.148 12.137 -10.973 1.00 0.00 O ATOM 1043 CB VAL A 64 -0.323 12.302 -14.286 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -1.103 13.501 -13.739 1.00 0.00 C ATOM 1045 CG2 VAL A 64 0.343 12.689 -15.608 1.00 0.00 C ATOM 0 H VAL A 64 1.096 10.352 -14.747 1.00 0.00 H new ATOM 0 HA VAL A 64 1.421 12.722 -13.060 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.008 11.470 -14.449 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.869 13.795 -14.457 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.576 13.228 -12.796 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.420 14.335 -13.574 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.421 12.987 -16.327 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.028 13.520 -15.441 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.897 11.836 -16.000 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.446 10.230 -11.926 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.068 9.739 -10.646 1.00 0.00 C ATOM 1057 C LYS A 65 -0.003 9.668 -9.538 1.00 0.00 C ATOM 1058 O LYS A 65 -0.291 9.939 -8.387 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.625 8.335 -10.930 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.413 7.846 -9.714 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.447 6.811 -10.159 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.446 6.569 -9.026 1.00 0.00 C ATOM 1063 NZ LYS A 65 -5.440 7.672 -9.144 1.00 0.00 N ATOM 0 H LYS A 65 -0.502 9.587 -12.716 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.857 10.412 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.269 8.358 -11.809 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.810 7.646 -11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.736 7.407 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.909 8.686 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.969 7.162 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.951 5.878 -10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.925 5.595 -9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.952 6.585 -8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.846 7.875 -8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.971 8.525 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.199 7.387 -9.796 1.00 0.00 H new ATOM 1077 N VAL A 66 1.230 9.312 -9.867 1.00 0.00 N ATOM 1078 CA VAL A 66 2.295 9.240 -8.797 1.00 0.00 C ATOM 1079 C VAL A 66 2.418 10.603 -8.094 1.00 0.00 C ATOM 1080 O VAL A 66 2.579 10.665 -6.889 1.00 0.00 O ATOM 1081 CB VAL A 66 3.616 8.872 -9.503 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.759 8.832 -8.483 1.00 0.00 C ATOM 1083 CG2 VAL A 66 3.479 7.492 -10.163 1.00 0.00 C ATOM 0 H VAL A 66 1.539 9.073 -10.809 1.00 0.00 H new ATOM 0 HA VAL A 66 2.047 8.497 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 66 3.835 9.623 -10.262 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.689 8.571 -8.989 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.863 9.811 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.540 8.085 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.413 7.233 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.255 6.745 -9.401 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.672 7.517 -10.895 1.00 0.00 H new ATOM 1093 N LYS A 67 2.331 11.697 -8.828 1.00 0.00 N ATOM 1094 CA LYS A 67 2.434 13.043 -8.160 1.00 0.00 C ATOM 1095 C LYS A 67 1.202 13.264 -7.272 1.00 0.00 C ATOM 1096 O LYS A 67 1.316 13.751 -6.162 1.00 0.00 O ATOM 1097 CB LYS A 67 2.484 14.095 -9.280 1.00 0.00 C ATOM 1098 CG LYS A 67 3.077 15.396 -8.735 1.00 0.00 C ATOM 1099 CD LYS A 67 3.867 16.099 -9.840 1.00 0.00 C ATOM 1100 CE LYS A 67 4.808 17.133 -9.218 1.00 0.00 C ATOM 1101 NZ LYS A 67 5.951 17.233 -10.168 1.00 0.00 N ATOM 0 H LYS A 67 2.196 11.717 -9.839 1.00 0.00 H new ATOM 0 HA LYS A 67 3.322 13.112 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.087 13.728 -10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.482 14.275 -9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.281 16.047 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.728 15.184 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.439 15.369 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.184 16.586 -10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.311 18.095 -9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.142 16.818 -8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.640 17.924 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.408 16.304 -10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.603 17.541 -11.098 1.00 0.00 H new ATOM 1115 N SER A 68 0.023 12.896 -7.740 1.00 0.00 N ATOM 1116 CA SER A 68 -1.206 13.083 -6.888 1.00 0.00 C ATOM 1117 C SER A 68 -1.069 12.270 -5.589 1.00 0.00 C ATOM 1118 O SER A 68 -1.496 12.711 -4.537 1.00 0.00 O ATOM 1119 CB SER A 68 -2.398 12.569 -7.709 1.00 0.00 C ATOM 1120 OG SER A 68 -2.359 13.147 -9.007 1.00 0.00 O ATOM 0 H SER A 68 -0.139 12.482 -8.658 1.00 0.00 H new ATOM 0 HA SER A 68 -1.342 14.130 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.363 11.482 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.334 12.825 -7.212 1.00 0.00 H new ATOM 0 HG SER A 68 -3.118 12.819 -9.534 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.474 11.090 -5.643 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.321 10.274 -4.384 1.00 0.00 C ATOM 1128 C LEU A 69 0.500 11.063 -3.353 1.00 0.00 C ATOM 1129 O LEU A 69 0.131 11.142 -2.196 1.00 0.00 O ATOM 1130 CB LEU A 69 0.417 8.981 -4.770 1.00 0.00 C ATOM 1131 CG LEU A 69 -0.603 7.886 -5.086 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -1.263 8.173 -6.436 1.00 0.00 C ATOM 1133 CD2 LEU A 69 0.110 6.535 -5.148 1.00 0.00 C ATOM 0 H LEU A 69 -0.095 10.664 -6.489 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.292 10.046 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.055 9.159 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.067 8.663 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.366 7.864 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.989 7.392 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.769 9.138 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.502 8.194 -7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.614 5.752 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.871 6.561 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.582 6.328 -4.187 1.00 0.00 H new ATOM 1145 N SER A 70 1.606 11.657 -3.761 1.00 0.00 N ATOM 1146 CA SER A 70 2.427 12.448 -2.776 1.00 0.00 C ATOM 1147 C SER A 70 1.647 13.704 -2.358 1.00 0.00 C ATOM 1148 O SER A 70 1.602 14.045 -1.190 1.00 0.00 O ATOM 1149 CB SER A 70 3.730 12.839 -3.488 1.00 0.00 C ATOM 1150 OG SER A 70 4.498 11.670 -3.738 1.00 0.00 O ATOM 0 H SER A 70 1.970 11.630 -4.714 1.00 0.00 H new ATOM 0 HA SER A 70 2.643 11.868 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.507 13.349 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.298 13.537 -2.873 1.00 0.00 H new ATOM 0 HG SER A 70 5.330 11.916 -4.194 1.00 0.00 H new ATOM 1156 N ASP A 71 1.017 14.383 -3.296 1.00 0.00 N ATOM 1157 CA ASP A 71 0.222 15.607 -2.918 1.00 0.00 C ATOM 1158 C ASP A 71 -1.050 15.213 -2.138 1.00 0.00 C ATOM 1159 O ASP A 71 -1.608 16.029 -1.428 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.152 16.317 -4.228 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.688 17.716 -3.916 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -1.815 17.809 -3.459 1.00 0.00 O ATOM 1163 OD2 ASP A 71 0.039 18.670 -4.140 1.00 0.00 O ATOM 0 H ASP A 71 1.017 14.150 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 71 0.806 16.261 -2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.720 16.387 -4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.904 15.739 -4.765 1.00 0.00 H new ATOM 1168 N MET A 72 -1.499 13.971 -2.225 1.00 0.00 N ATOM 1169 CA MET A 72 -2.710 13.563 -1.438 1.00 0.00 C ATOM 1170 C MET A 72 -2.223 13.085 -0.070 1.00 0.00 C ATOM 1171 O MET A 72 -2.759 13.459 0.955 1.00 0.00 O ATOM 1172 CB MET A 72 -3.375 12.417 -2.214 1.00 0.00 C ATOM 1173 CG MET A 72 -4.790 12.191 -1.678 1.00 0.00 C ATOM 1174 SD MET A 72 -5.491 10.702 -2.431 1.00 0.00 S ATOM 1175 CE MET A 72 -4.391 9.505 -1.636 1.00 0.00 C ATOM 0 H MET A 72 -1.083 13.237 -2.799 1.00 0.00 H new ATOM 0 HA MET A 72 -3.424 14.375 -1.299 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.411 12.656 -3.277 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.786 11.505 -2.112 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.767 12.086 -0.593 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.417 13.054 -1.902 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.714 9.083 -2.379 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.811 10.004 -0.859 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.984 8.706 -1.190 1.00 0.00 H new ATOM 1185 N THR A 73 -1.173 12.284 -0.048 1.00 0.00 N ATOM 1186 CA THR A 73 -0.612 11.814 1.264 1.00 0.00 C ATOM 1187 C THR A 73 -0.227 13.050 2.117 1.00 0.00 C ATOM 1188 O THR A 73 -0.408 13.050 3.320 1.00 0.00 O ATOM 1189 CB THR A 73 0.620 10.942 0.892 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.182 9.626 0.594 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.634 10.885 2.032 1.00 0.00 C ATOM 0 H THR A 73 -0.687 11.940 -0.876 1.00 0.00 H new ATOM 0 HA THR A 73 -1.317 11.234 1.858 1.00 0.00 H new ATOM 0 HB THR A 73 1.107 11.392 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.954 9.070 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.481 10.267 1.735 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.982 11.892 2.260 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.163 10.455 2.916 1.00 0.00 H new ATOM 1199 N ALA A 74 0.289 14.107 1.505 1.00 0.00 N ATOM 1200 CA ALA A 74 0.657 15.328 2.312 1.00 0.00 C ATOM 1201 C ALA A 74 -0.589 15.861 3.043 1.00 0.00 C ATOM 1202 O ALA A 74 -0.512 16.265 4.189 1.00 0.00 O ATOM 1203 CB ALA A 74 1.177 16.380 1.321 1.00 0.00 C ATOM 0 H ALA A 74 0.467 14.175 0.503 1.00 0.00 H new ATOM 0 HA ALA A 74 1.414 15.093 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.456 17.284 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.049 15.987 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.396 16.617 0.599 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.741 15.848 2.398 1.00 0.00 N ATOM 1210 CA LYS A 75 -2.987 16.340 3.082 1.00 0.00 C ATOM 1211 C LYS A 75 -3.639 15.189 3.870 1.00 0.00 C ATOM 1212 O LYS A 75 -4.182 15.401 4.939 1.00 0.00 O ATOM 1213 CB LYS A 75 -3.928 16.830 1.972 1.00 0.00 C ATOM 1214 CG LYS A 75 -3.440 18.181 1.447 1.00 0.00 C ATOM 1215 CD LYS A 75 -3.940 19.299 2.364 1.00 0.00 C ATOM 1216 CE LYS A 75 -3.898 20.633 1.615 1.00 0.00 C ATOM 1217 NZ LYS A 75 -4.375 21.642 2.601 1.00 0.00 N ATOM 0 H LYS A 75 -1.870 15.522 1.440 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.767 17.141 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.960 16.103 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.944 16.923 2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.351 18.193 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.803 18.340 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.957 19.086 2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.321 19.353 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.889 20.862 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.537 20.611 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.375 22.584 2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.340 21.402 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.744 21.645 3.427 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.583 13.968 3.365 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.201 12.816 4.120 1.00 0.00 C ATOM 1233 C GLU A 76 -3.483 12.572 5.465 1.00 0.00 C ATOM 1234 O GLU A 76 -4.025 11.918 6.335 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.065 11.574 3.224 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.270 11.487 2.285 1.00 0.00 C ATOM 1237 CD GLU A 76 -5.563 10.020 1.965 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -4.775 9.420 1.253 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.571 9.521 2.437 1.00 0.00 O ATOM 0 H GLU A 76 -3.144 13.722 2.478 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.244 13.036 4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.143 11.629 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.003 10.675 3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.141 11.950 2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.069 12.038 1.366 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.270 13.074 5.658 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.547 12.842 6.951 1.00 0.00 C ATOM 1248 C LYS A 77 -1.321 11.338 7.153 1.00 0.00 C ATOM 1249 O LYS A 77 -1.558 10.811 8.224 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.445 13.413 8.059 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.580 14.110 9.110 1.00 0.00 C ATOM 1252 CD LYS A 77 -2.466 14.583 10.266 1.00 0.00 C ATOM 1253 CE LYS A 77 -1.743 15.685 11.045 1.00 0.00 C ATOM 1254 NZ LYS A 77 -2.154 16.954 10.384 1.00 0.00 N ATOM 0 H LYS A 77 -1.759 13.631 4.973 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.570 13.324 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.159 14.119 7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.023 12.613 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.816 13.426 9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.060 14.958 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.415 14.957 9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.697 13.747 10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.028 15.677 12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.662 15.552 11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.699 17.758 10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.864 16.935 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.187 17.057 10.442 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.865 10.638 6.129 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.624 9.154 6.281 1.00 0.00 C ATOM 1270 C PHE A 78 0.349 8.891 7.441 1.00 0.00 C ATOM 1271 O PHE A 78 0.701 9.796 8.176 1.00 0.00 O ATOM 1272 CB PHE A 78 -0.040 8.648 4.943 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.144 7.988 4.147 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.868 6.932 4.714 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.460 8.442 2.860 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.907 6.329 3.995 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.496 7.834 2.139 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.220 6.777 2.708 1.00 0.00 C ATOM 0 H PHE A 78 -0.652 11.022 5.208 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.551 8.628 6.511 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.387 9.478 4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.767 7.939 5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.625 6.583 5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.906 9.260 2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.467 5.517 4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.737 8.180 1.145 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.019 6.309 2.153 1.00 0.00 H new ATOM 1288 N SER A 79 0.785 7.663 7.621 1.00 0.00 N ATOM 1289 CA SER A 79 1.722 7.359 8.737 1.00 0.00 C ATOM 1290 C SER A 79 3.136 7.227 8.178 1.00 0.00 C ATOM 1291 O SER A 79 3.345 7.450 7.001 1.00 0.00 O ATOM 1292 CB SER A 79 1.238 6.028 9.332 1.00 0.00 C ATOM 1293 OG SER A 79 -0.109 5.788 8.945 1.00 0.00 O ATOM 0 H SER A 79 0.529 6.864 7.041 1.00 0.00 H new ATOM 0 HA SER A 79 1.741 8.140 9.497 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.875 5.213 8.989 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.314 6.056 10.419 1.00 0.00 H new ATOM 0 HG SER A 79 -0.402 4.923 9.300 1.00 0.00 H new ATOM 1299 N PRO A 80 4.077 6.861 9.022 1.00 0.00 N ATOM 1300 CA PRO A 80 5.465 6.706 8.540 1.00 0.00 C ATOM 1301 C PRO A 80 5.633 5.444 7.673 1.00 0.00 C ATOM 1302 O PRO A 80 6.654 5.281 7.028 1.00 0.00 O ATOM 1303 CB PRO A 80 6.283 6.617 9.815 1.00 0.00 C ATOM 1304 CG PRO A 80 5.341 6.117 10.860 1.00 0.00 C ATOM 1305 CD PRO A 80 3.960 6.563 10.463 1.00 0.00 C ATOM 0 HA PRO A 80 5.775 7.530 7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.128 5.940 9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.691 7.590 10.088 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.388 5.030 10.933 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.607 6.514 11.840 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.221 5.784 10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.647 7.442 11.027 1.00 0.00 H new ATOM 1313 N LEU A 81 4.652 4.556 7.617 1.00 0.00 N ATOM 1314 CA LEU A 81 4.797 3.351 6.759 1.00 0.00 C ATOM 1315 C LEU A 81 3.747 3.355 5.638 1.00 0.00 C ATOM 1316 O LEU A 81 3.526 2.336 5.008 1.00 0.00 O ATOM 1317 CB LEU A 81 4.559 2.163 7.691 1.00 0.00 C ATOM 1318 CG LEU A 81 5.910 1.604 8.157 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.802 1.129 9.604 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.312 0.426 7.265 1.00 0.00 C ATOM 0 H LEU A 81 3.772 4.625 8.128 1.00 0.00 H new ATOM 0 HA LEU A 81 5.776 3.313 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.965 2.474 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.991 1.389 7.175 1.00 0.00 H new ATOM 0 HG LEU A 81 6.664 2.388 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.764 0.733 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.520 1.967 10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.045 0.348 9.675 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.272 0.029 7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.555 -0.355 7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.396 0.764 6.232 1.00 0.00 H new ATOM 1332 N THR A 82 3.084 4.472 5.378 1.00 0.00 N ATOM 1333 CA THR A 82 2.056 4.477 4.304 1.00 0.00 C ATOM 1334 C THR A 82 2.352 5.508 3.192 1.00 0.00 C ATOM 1335 O THR A 82 1.556 5.658 2.283 1.00 0.00 O ATOM 1336 CB THR A 82 0.739 4.776 5.023 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.823 4.290 6.358 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.395 4.053 4.291 1.00 0.00 C ATOM 0 H THR A 82 3.217 5.360 5.862 1.00 0.00 H new ATOM 0 HA THR A 82 2.031 3.522 3.779 1.00 0.00 H new ATOM 0 HB THR A 82 0.548 5.849 5.034 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.390 4.926 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.341 4.257 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.447 4.407 3.261 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.206 2.980 4.297 1.00 0.00 H new ATOM 1346 N SER A 83 3.495 6.177 3.204 1.00 0.00 N ATOM 1347 CA SER A 83 3.807 7.120 2.089 1.00 0.00 C ATOM 1348 C SER A 83 4.964 6.526 1.265 1.00 0.00 C ATOM 1349 O SER A 83 5.855 7.218 0.815 1.00 0.00 O ATOM 1350 CB SER A 83 4.208 8.438 2.751 1.00 0.00 C ATOM 1351 OG SER A 83 5.522 8.316 3.280 1.00 0.00 O ATOM 0 H SER A 83 4.208 6.106 3.930 1.00 0.00 H new ATOM 0 HA SER A 83 2.966 7.282 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.170 9.250 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.505 8.688 3.546 1.00 0.00 H new ATOM 0 HG SER A 83 5.784 9.160 3.704 1.00 0.00 H new ATOM 1357 N ASN A 84 4.921 5.230 1.058 1.00 0.00 N ATOM 1358 CA ASN A 84 5.963 4.515 0.256 1.00 0.00 C ATOM 1359 C ASN A 84 5.220 3.408 -0.494 1.00 0.00 C ATOM 1360 O ASN A 84 5.126 3.421 -1.707 1.00 0.00 O ATOM 1361 CB ASN A 84 6.946 3.935 1.275 1.00 0.00 C ATOM 1362 CG ASN A 84 8.383 4.169 0.793 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.935 5.232 0.999 1.00 0.00 O ATOM 1364 ND2 ASN A 84 9.021 3.219 0.155 1.00 0.00 N ATOM 0 H ASN A 84 4.186 4.624 1.422 1.00 0.00 H new ATOM 0 HA ASN A 84 6.502 5.140 -0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.797 4.404 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.764 2.868 1.405 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.977 3.373 -0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.562 2.325 -0.020 1.00 0.00 H new ATOM 1371 N LEU A 85 4.596 2.499 0.242 1.00 0.00 N ATOM 1372 CA LEU A 85 3.751 1.456 -0.425 1.00 0.00 C ATOM 1373 C LEU A 85 2.689 2.179 -1.287 1.00 0.00 C ATOM 1374 O LEU A 85 2.257 1.656 -2.299 1.00 0.00 O ATOM 1375 CB LEU A 85 3.076 0.644 0.709 1.00 0.00 C ATOM 1376 CG LEU A 85 2.055 -0.340 0.125 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.786 -1.442 -0.644 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.237 -0.967 1.260 1.00 0.00 C ATOM 0 H LEU A 85 4.639 2.441 1.259 1.00 0.00 H new ATOM 0 HA LEU A 85 4.330 0.793 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.832 0.100 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.581 1.321 1.405 1.00 0.00 H new ATOM 0 HG LEU A 85 1.388 0.194 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.059 -2.140 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.365 -0.998 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.456 -1.974 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.512 -1.666 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.904 -1.498 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.712 -0.183 1.806 1.00 0.00 H new ATOM 1390 N ILE A 86 2.268 3.390 -0.906 1.00 0.00 N ATOM 1391 CA ILE A 86 1.249 4.109 -1.743 1.00 0.00 C ATOM 1392 C ILE A 86 1.803 4.327 -3.163 1.00 0.00 C ATOM 1393 O ILE A 86 1.081 4.192 -4.134 1.00 0.00 O ATOM 1394 CB ILE A 86 0.945 5.456 -1.044 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.219 6.148 -1.762 1.00 0.00 C ATOM 1396 CG2 ILE A 86 2.173 6.376 -1.070 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.106 6.849 -0.736 1.00 0.00 C ATOM 0 H ILE A 86 2.584 3.887 -0.073 1.00 0.00 H new ATOM 0 HA ILE A 86 0.332 3.528 -1.837 1.00 0.00 H new ATOM 0 HB ILE A 86 0.682 5.256 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.163 6.871 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.801 5.416 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.934 7.316 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.001 5.892 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.457 6.574 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.934 7.341 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.499 6.115 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.520 7.592 -0.196 1.00 0.00 H new ATOM 1409 N ASN A 87 3.081 4.637 -3.300 1.00 0.00 N ATOM 1410 CA ASN A 87 3.648 4.830 -4.679 1.00 0.00 C ATOM 1411 C ASN A 87 3.656 3.476 -5.396 1.00 0.00 C ATOM 1412 O ASN A 87 3.191 3.359 -6.512 1.00 0.00 O ATOM 1413 CB ASN A 87 5.083 5.355 -4.507 1.00 0.00 C ATOM 1414 CG ASN A 87 5.057 6.881 -4.368 1.00 0.00 C ATOM 1415 OD1 ASN A 87 4.232 7.539 -4.971 1.00 0.00 O ATOM 1416 ND2 ASN A 87 5.931 7.484 -3.597 1.00 0.00 N ATOM 0 H ASN A 87 3.741 4.762 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 87 3.059 5.534 -5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.542 4.907 -3.626 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.692 5.068 -5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.916 8.500 -3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.626 6.937 -3.089 1.00 0.00 H new ATOM 1423 N LEU A 88 4.164 2.437 -4.751 1.00 0.00 N ATOM 1424 CA LEU A 88 4.179 1.073 -5.401 1.00 0.00 C ATOM 1425 C LEU A 88 2.773 0.718 -5.908 1.00 0.00 C ATOM 1426 O LEU A 88 2.621 0.158 -6.977 1.00 0.00 O ATOM 1427 CB LEU A 88 4.607 0.071 -4.317 1.00 0.00 C ATOM 1428 CG LEU A 88 6.131 -0.060 -4.312 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.590 -0.601 -2.957 1.00 0.00 C ATOM 1430 CD2 LEU A 88 6.561 -1.025 -5.419 1.00 0.00 C ATOM 0 H LEU A 88 4.564 2.474 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 88 4.861 1.052 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.257 0.405 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.149 -0.900 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 88 6.582 0.917 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.676 -0.695 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.281 0.085 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.140 -1.579 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.647 -1.120 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.111 -2.002 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.232 -0.641 -6.385 1.00 0.00 H new ATOM 1442 N LEU A 89 1.738 1.057 -5.158 1.00 0.00 N ATOM 1443 CA LEU A 89 0.346 0.742 -5.635 1.00 0.00 C ATOM 1444 C LEU A 89 0.090 1.472 -6.960 1.00 0.00 C ATOM 1445 O LEU A 89 -0.477 0.913 -7.880 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.621 1.243 -4.552 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.811 0.148 -3.504 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.615 0.701 -2.324 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.565 -1.022 -4.135 1.00 0.00 C ATOM 0 H LEU A 89 1.797 1.528 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 89 0.210 -0.326 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.227 2.146 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.580 1.507 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 89 0.161 -0.192 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.750 -0.081 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.078 1.539 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.590 1.040 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.704 -1.808 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.538 -0.680 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.991 -1.414 -4.975 1.00 0.00 H new ATOM 1461 N ALA A 90 0.529 2.710 -7.076 1.00 0.00 N ATOM 1462 CA ALA A 90 0.333 3.452 -8.356 1.00 0.00 C ATOM 1463 C ALA A 90 1.674 3.571 -9.108 1.00 0.00 C ATOM 1464 O ALA A 90 1.896 4.528 -9.825 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.184 4.838 -7.951 1.00 0.00 C ATOM 0 H ALA A 90 1.010 3.229 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.364 2.944 -9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.351 5.440 -8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.121 4.731 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.552 5.329 -7.315 1.00 0.00 H new ATOM 1471 N GLU A 91 2.574 2.608 -8.956 1.00 0.00 N ATOM 1472 CA GLU A 91 3.888 2.699 -9.679 1.00 0.00 C ATOM 1473 C GLU A 91 3.883 1.796 -10.924 1.00 0.00 C ATOM 1474 O GLU A 91 4.339 2.199 -11.978 1.00 0.00 O ATOM 1475 CB GLU A 91 4.954 2.228 -8.679 1.00 0.00 C ATOM 1476 CG GLU A 91 6.342 2.331 -9.317 1.00 0.00 C ATOM 1477 CD GLU A 91 6.661 1.031 -10.058 1.00 0.00 C ATOM 1478 OE1 GLU A 91 6.472 -0.023 -9.475 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.089 1.112 -11.198 1.00 0.00 O ATOM 0 H GLU A 91 2.453 1.780 -8.372 1.00 0.00 H new ATOM 0 HA GLU A 91 4.083 3.715 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.913 2.836 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.756 1.199 -8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.375 3.173 -10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.093 2.519 -8.550 1.00 0.00 H new ATOM 1486 N ASN A 92 3.382 0.580 -10.819 1.00 0.00 N ATOM 1487 CA ASN A 92 3.369 -0.322 -12.013 1.00 0.00 C ATOM 1488 C ASN A 92 1.930 -0.703 -12.404 1.00 0.00 C ATOM 1489 O ASN A 92 1.696 -1.790 -12.902 1.00 0.00 O ATOM 1490 CB ASN A 92 4.144 -1.564 -11.575 1.00 0.00 C ATOM 1491 CG ASN A 92 5.614 -1.428 -11.992 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.918 -0.760 -12.961 1.00 0.00 O ATOM 1493 ND2 ASN A 92 6.549 -2.037 -11.303 1.00 0.00 N ATOM 0 H ASN A 92 2.987 0.182 -9.967 1.00 0.00 H new ATOM 0 HA ASN A 92 3.810 0.159 -12.886 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.072 -1.687 -10.494 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.708 -2.455 -12.027 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.526 -1.949 -11.581 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.299 -2.599 -10.489 1.00 0.00 H new ATOM 1500 N GLY A 93 0.960 0.166 -12.185 1.00 0.00 N ATOM 1501 CA GLY A 93 -0.443 -0.178 -12.547 1.00 0.00 C ATOM 1502 C GLY A 93 -0.976 -1.170 -11.515 1.00 0.00 C ATOM 1503 O GLY A 93 -1.561 -2.179 -11.864 1.00 0.00 O ATOM 0 H GLY A 93 1.088 1.090 -11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.061 0.720 -12.565 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.482 -0.612 -13.546 1.00 0.00 H new ATOM 1507 N ARG A 94 -0.770 -0.902 -10.240 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.263 -1.849 -9.197 1.00 0.00 C ATOM 1509 C ARG A 94 -2.503 -1.286 -8.481 1.00 0.00 C ATOM 1510 O ARG A 94 -2.709 -1.554 -7.311 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.102 -2.016 -8.212 1.00 0.00 C ATOM 1512 CG ARG A 94 -0.156 -3.413 -7.580 1.00 0.00 C ATOM 1513 CD ARG A 94 0.868 -4.328 -8.259 1.00 0.00 C ATOM 1514 NE ARG A 94 0.206 -4.784 -9.514 1.00 0.00 N ATOM 1515 CZ ARG A 94 0.789 -4.596 -10.667 1.00 0.00 C ATOM 1516 NH1 ARG A 94 2.075 -4.791 -10.790 1.00 0.00 N ATOM 1517 NH2 ARG A 94 0.086 -4.213 -11.698 1.00 0.00 N ATOM 0 H ARG A 94 -0.287 -0.076 -9.887 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.564 -2.801 -9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.848 -1.876 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.158 -1.253 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.052 -3.348 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.157 -3.831 -7.684 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.794 -3.794 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.127 -5.172 -7.620 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.704 -5.244 -9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.625 -5.090 -9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.529 -4.644 -11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.918 -4.061 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.541 -4.066 -12.599 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.347 -0.539 -9.168 1.00 0.00 N ATOM 1532 CA LEU A 95 -4.580 -0.011 -8.499 1.00 0.00 C ATOM 1533 C LEU A 95 -5.817 -0.802 -8.972 1.00 0.00 C ATOM 1534 O LEU A 95 -6.918 -0.287 -8.989 1.00 0.00 O ATOM 1535 CB LEU A 95 -4.677 1.463 -8.904 1.00 0.00 C ATOM 1536 CG LEU A 95 -3.576 2.259 -8.198 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -3.311 3.559 -8.963 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.015 2.588 -6.765 1.00 0.00 C ATOM 0 H LEU A 95 -3.234 -0.278 -10.148 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.535 -0.115 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.576 1.562 -9.985 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.656 1.861 -8.638 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.664 1.663 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.527 4.124 -8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.994 3.325 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.224 4.154 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.230 3.155 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.929 3.181 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.199 1.663 -6.219 1.00 0.00 H new ATOM 1550 N THR A 96 -5.645 -2.062 -9.318 1.00 0.00 N ATOM 1551 CA THR A 96 -6.804 -2.904 -9.744 1.00 0.00 C ATOM 1552 C THR A 96 -7.074 -3.906 -8.616 1.00 0.00 C ATOM 1553 O THR A 96 -8.169 -3.980 -8.091 1.00 0.00 O ATOM 1554 CB THR A 96 -6.354 -3.623 -11.021 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.219 -4.427 -10.735 1.00 0.00 O ATOM 1556 CG2 THR A 96 -5.995 -2.590 -12.089 1.00 0.00 C ATOM 0 H THR A 96 -4.744 -2.540 -9.322 1.00 0.00 H new ATOM 0 HA THR A 96 -7.713 -2.334 -9.935 1.00 0.00 H new ATOM 0 HB THR A 96 -7.163 -4.255 -11.388 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.931 -4.889 -11.550 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.675 -3.101 -12.997 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.868 -1.974 -12.308 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.186 -1.957 -11.725 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.057 -4.639 -8.195 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.231 -5.583 -7.057 1.00 0.00 C ATOM 1566 C ASN A 97 -5.611 -4.959 -5.789 1.00 0.00 C ATOM 1567 O ASN A 97 -5.043 -5.655 -4.968 1.00 0.00 O ATOM 1568 CB ASN A 97 -5.472 -6.855 -7.456 1.00 0.00 C ATOM 1569 CG ASN A 97 -6.129 -7.477 -8.693 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -7.155 -8.120 -8.587 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -5.583 -7.315 -9.875 1.00 0.00 N ATOM 0 H ASN A 97 -5.120 -4.616 -8.597 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.279 -5.799 -6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.429 -6.618 -7.666 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.477 -7.568 -6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.020 -7.728 -10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.722 -6.776 -9.970 1.00 0.00 H new ATOM 1578 N THR A 98 -5.715 -3.642 -5.616 1.00 0.00 N ATOM 1579 CA THR A 98 -5.124 -3.000 -4.394 1.00 0.00 C ATOM 1580 C THR A 98 -5.826 -3.432 -3.082 1.00 0.00 C ATOM 1581 O THR A 98 -5.151 -3.528 -2.074 1.00 0.00 O ATOM 1582 CB THR A 98 -5.199 -1.469 -4.592 1.00 0.00 C ATOM 1583 OG1 THR A 98 -4.467 -0.828 -3.557 1.00 0.00 O ATOM 1584 CG2 THR A 98 -6.650 -0.987 -4.556 1.00 0.00 C ATOM 0 H THR A 98 -6.178 -3.003 -6.263 1.00 0.00 H new ATOM 0 HA THR A 98 -4.090 -3.328 -4.284 1.00 0.00 H new ATOM 0 HB THR A 98 -4.774 -1.221 -5.565 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.510 0.143 -3.679 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.678 0.093 -4.697 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.214 -1.472 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.093 -1.238 -3.592 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.135 -3.691 -3.082 1.00 0.00 N ATOM 1593 CA PRO A 99 -7.787 -4.108 -1.809 1.00 0.00 C ATOM 1594 C PRO A 99 -7.195 -5.444 -1.323 1.00 0.00 C ATOM 1595 O PRO A 99 -7.030 -5.647 -0.134 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.266 -4.231 -2.169 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.272 -4.450 -3.640 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.124 -3.644 -4.184 1.00 0.00 C ATOM 0 HA PRO A 99 -7.633 -3.403 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.735 -5.061 -1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.817 -3.330 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.154 -5.507 -3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.217 -4.129 -4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.726 -4.076 -5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.422 -2.622 -4.416 1.00 0.00 H new ATOM 1606 N ALA A 100 -6.848 -6.348 -2.224 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.236 -7.654 -1.771 1.00 0.00 C ATOM 1608 C ALA A 100 -4.979 -7.374 -0.919 1.00 0.00 C ATOM 1609 O ALA A 100 -4.704 -8.084 0.030 1.00 0.00 O ATOM 1610 CB ALA A 100 -5.848 -8.425 -3.042 1.00 0.00 C ATOM 0 H ALA A 100 -6.959 -6.243 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.935 -8.228 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.400 -9.379 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.738 -8.603 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.131 -7.840 -3.618 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.219 -6.340 -1.243 1.00 0.00 N ATOM 1617 CA VAL A 101 -2.990 -6.030 -0.423 1.00 0.00 C ATOM 1618 C VAL A 101 -3.404 -5.698 1.021 1.00 0.00 C ATOM 1619 O VAL A 101 -2.742 -6.094 1.962 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.308 -4.807 -1.075 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.040 -4.437 -0.292 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -1.933 -5.133 -2.527 1.00 0.00 C ATOM 0 H VAL A 101 -4.393 -5.709 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.309 -6.881 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.001 -3.966 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.564 -3.574 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.306 -4.194 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.349 -5.280 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.452 -4.267 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.247 -5.980 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.833 -5.384 -3.088 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.493 -4.973 1.209 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.924 -4.632 2.612 1.00 0.00 C ATOM 1634 C ILE A 102 -5.452 -5.892 3.316 1.00 0.00 C ATOM 1635 O ILE A 102 -5.164 -6.118 4.478 1.00 0.00 O ATOM 1636 CB ILE A 102 -6.042 -3.579 2.489 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.509 -2.348 1.749 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -6.515 -3.165 3.885 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.620 -1.742 0.889 1.00 0.00 C ATOM 0 H ILE A 102 -5.091 -4.610 0.466 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.091 -4.246 3.200 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.877 -4.006 1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.147 -1.610 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.662 -2.627 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -7.306 -2.420 3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.897 -4.038 4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.679 -2.741 4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.237 -0.867 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.962 -2.480 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.454 -1.447 1.526 1.00 0.00 H new ATOM 1651 N SER A 103 -6.219 -6.719 2.630 1.00 0.00 N ATOM 1652 CA SER A 103 -6.747 -7.965 3.294 1.00 0.00 C ATOM 1653 C SER A 103 -5.573 -8.865 3.702 1.00 0.00 C ATOM 1654 O SER A 103 -5.502 -9.319 4.828 1.00 0.00 O ATOM 1655 CB SER A 103 -7.634 -8.680 2.264 1.00 0.00 C ATOM 1656 OG SER A 103 -8.345 -9.731 2.905 1.00 0.00 O ATOM 0 H SER A 103 -6.498 -6.589 1.658 1.00 0.00 H new ATOM 0 HA SER A 103 -7.318 -7.726 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.333 -7.973 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.022 -9.080 1.455 1.00 0.00 H new ATOM 0 HG SER A 103 -8.913 -10.188 2.251 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.640 -9.119 2.803 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.462 -9.986 3.175 1.00 0.00 C ATOM 1664 C ALA A 104 -2.733 -9.388 4.393 1.00 0.00 C ATOM 1665 O ALA A 104 -2.246 -10.111 5.242 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.524 -10.008 1.958 1.00 0.00 C ATOM 0 H ALA A 104 -4.641 -8.771 1.844 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.784 -10.994 3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.654 -10.625 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.052 -10.422 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.200 -8.993 1.730 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.658 -8.071 4.493 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.960 -7.445 5.675 1.00 0.00 C ATOM 1674 C PHE A 105 -2.610 -7.925 6.980 1.00 0.00 C ATOM 1675 O PHE A 105 -1.924 -8.231 7.938 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.142 -5.923 5.532 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.142 -5.198 6.401 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.205 -5.306 7.796 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.150 -4.407 5.809 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.282 -4.628 8.591 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.773 -3.729 6.609 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.705 -3.841 8.000 1.00 0.00 C ATOM 0 H PHE A 105 -3.044 -7.412 3.817 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.905 -7.719 5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.011 -5.629 4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.156 -5.641 5.818 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.969 -5.915 8.256 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.098 -4.321 4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.332 -4.713 9.667 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.538 -3.119 6.153 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.419 -3.317 8.618 1.00 0.00 H new ATOM 1692 N SER A 106 -3.926 -7.995 7.030 1.00 0.00 N ATOM 1693 CA SER A 106 -4.593 -8.462 8.297 1.00 0.00 C ATOM 1694 C SER A 106 -4.264 -9.941 8.548 1.00 0.00 C ATOM 1695 O SER A 106 -4.042 -10.340 9.676 1.00 0.00 O ATOM 1696 CB SER A 106 -6.106 -8.279 8.099 1.00 0.00 C ATOM 1697 OG SER A 106 -6.757 -8.347 9.361 1.00 0.00 O ATOM 0 H SER A 106 -4.556 -7.754 6.265 1.00 0.00 H new ATOM 0 HA SER A 106 -4.244 -7.892 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.309 -7.319 7.624 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.494 -9.052 7.435 1.00 0.00 H new ATOM 0 HG SER A 106 -7.722 -8.229 9.238 1.00 0.00 H new ATOM 1703 N THR A 107 -4.220 -10.758 7.513 1.00 0.00 N ATOM 1704 CA THR A 107 -3.890 -12.209 7.732 1.00 0.00 C ATOM 1705 C THR A 107 -2.401 -12.360 8.065 1.00 0.00 C ATOM 1706 O THR A 107 -2.038 -13.168 8.900 1.00 0.00 O ATOM 1707 CB THR A 107 -4.226 -12.949 6.427 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.455 -12.457 5.910 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.351 -14.448 6.706 1.00 0.00 C ATOM 0 H THR A 107 -4.395 -10.489 6.545 1.00 0.00 H new ATOM 0 HA THR A 107 -4.461 -12.621 8.564 1.00 0.00 H new ATOM 0 HB THR A 107 -3.432 -12.783 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.671 -12.926 5.077 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.589 -14.972 5.780 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.408 -14.824 7.103 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.145 -14.618 7.433 1.00 0.00 H new ATOM 1717 N MET A 108 -1.534 -11.582 7.446 1.00 0.00 N ATOM 1718 CA MET A 108 -0.077 -11.703 7.784 1.00 0.00 C ATOM 1719 C MET A 108 0.173 -11.090 9.168 1.00 0.00 C ATOM 1720 O MET A 108 0.984 -11.587 9.926 1.00 0.00 O ATOM 1721 CB MET A 108 0.699 -10.937 6.711 1.00 0.00 C ATOM 1722 CG MET A 108 0.534 -11.636 5.359 1.00 0.00 C ATOM 1723 SD MET A 108 1.345 -13.254 5.407 1.00 0.00 S ATOM 1724 CE MET A 108 -0.149 -14.251 5.629 1.00 0.00 C ATOM 0 H MET A 108 -1.767 -10.885 6.738 1.00 0.00 H new ATOM 0 HA MET A 108 0.242 -12.745 7.810 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.336 -9.911 6.648 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.754 -10.885 6.979 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.524 -11.755 5.127 1.00 0.00 H new ATOM 0 HG3 MET A 108 0.967 -11.025 4.567 1.00 0.00 H new ATOM 0 HE1 MET A 108 -0.048 -14.863 6.525 1.00 0.00 H new ATOM 0 HE2 MET A 108 -1.013 -13.594 5.733 1.00 0.00 H new ATOM 0 HE3 MET A 108 -0.287 -14.897 4.762 1.00 0.00 H new ATOM 1734 N MET A 109 -0.527 -10.021 9.520 1.00 0.00 N ATOM 1735 CA MET A 109 -0.313 -9.411 10.879 1.00 0.00 C ATOM 1736 C MET A 109 -0.586 -10.469 11.960 1.00 0.00 C ATOM 1737 O MET A 109 0.127 -10.546 12.936 1.00 0.00 O ATOM 1738 CB MET A 109 -1.308 -8.246 11.011 1.00 0.00 C ATOM 1739 CG MET A 109 -1.103 -7.545 12.356 1.00 0.00 C ATOM 1740 SD MET A 109 -2.203 -8.273 13.597 1.00 0.00 S ATOM 1741 CE MET A 109 -2.592 -6.742 14.481 1.00 0.00 C ATOM 0 H MET A 109 -1.222 -9.557 8.935 1.00 0.00 H new ATOM 0 HA MET A 109 0.710 -9.055 11.000 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.165 -7.538 10.195 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.330 -8.617 10.935 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.065 -7.643 12.674 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.306 -6.479 12.256 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.271 -6.960 15.305 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.674 -6.305 14.874 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.065 -6.037 13.797 1.00 0.00 H new ATOM 1751 N SER A 110 -1.590 -11.308 11.795 1.00 0.00 N ATOM 1752 CA SER A 110 -1.839 -12.362 12.851 1.00 0.00 C ATOM 1753 C SER A 110 -0.584 -13.236 13.041 1.00 0.00 C ATOM 1754 O SER A 110 -0.321 -13.705 14.132 1.00 0.00 O ATOM 1755 CB SER A 110 -3.016 -13.217 12.364 1.00 0.00 C ATOM 1756 OG SER A 110 -4.223 -12.479 12.502 1.00 0.00 O ATOM 0 H SER A 110 -2.232 -11.314 11.002 1.00 0.00 H new ATOM 0 HA SER A 110 -2.067 -11.901 13.812 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.867 -13.501 11.322 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.073 -14.140 12.941 1.00 0.00 H new ATOM 0 HG SER A 110 -4.976 -13.023 12.190 1.00 0.00 H new ATOM 1762 N VAL A 111 0.205 -13.448 12.002 1.00 0.00 N ATOM 1763 CA VAL A 111 1.447 -14.281 12.173 1.00 0.00 C ATOM 1764 C VAL A 111 2.591 -13.456 12.808 1.00 0.00 C ATOM 1765 O VAL A 111 3.597 -14.017 13.202 1.00 0.00 O ATOM 1766 CB VAL A 111 1.847 -14.764 10.767 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.083 -15.662 10.861 1.00 0.00 C ATOM 1768 CG2 VAL A 111 0.691 -15.560 10.153 1.00 0.00 C ATOM 0 H VAL A 111 0.045 -13.087 11.061 1.00 0.00 H new ATOM 0 HA VAL A 111 1.258 -15.120 12.842 1.00 0.00 H new ATOM 0 HB VAL A 111 2.073 -13.900 10.142 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.363 -16.002 9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.909 -15.100 11.298 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.859 -16.525 11.489 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.973 -15.902 9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.467 -16.421 10.783 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.191 -14.924 10.081 1.00 0.00 H new ATOM 1778 N HIS A 112 2.458 -12.142 12.937 1.00 0.00 N ATOM 1779 CA HIS A 112 3.547 -11.346 13.570 1.00 0.00 C ATOM 1780 C HIS A 112 3.334 -11.294 15.106 1.00 0.00 C ATOM 1781 O HIS A 112 4.277 -11.090 15.849 1.00 0.00 O ATOM 1782 CB HIS A 112 3.483 -9.951 12.881 1.00 0.00 C ATOM 1783 CG HIS A 112 2.871 -8.895 13.771 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.563 -8.942 14.212 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.405 -7.775 14.316 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.360 -7.874 14.997 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.456 -7.123 15.097 1.00 0.00 N ATOM 0 H HIS A 112 1.647 -11.605 12.631 1.00 0.00 H new ATOM 0 HA HIS A 112 4.539 -11.777 13.436 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.489 -9.643 12.596 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.902 -10.029 11.962 1.00 0.00 H new ATOM 0 HD1 HIS A 112 0.876 -9.660 13.982 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.420 -7.438 14.166 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.424 -7.650 15.487 1.00 0.00 H new ATOM 1795 N ARG A 113 2.112 -11.479 15.590 1.00 0.00 N ATOM 1796 CA ARG A 113 1.891 -11.436 17.072 1.00 0.00 C ATOM 1797 C ARG A 113 1.981 -12.854 17.666 1.00 0.00 C ATOM 1798 O ARG A 113 2.469 -13.033 18.766 1.00 0.00 O ATOM 1799 CB ARG A 113 0.484 -10.857 17.279 1.00 0.00 C ATOM 1800 CG ARG A 113 0.462 -10.004 18.548 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.757 -9.079 18.525 1.00 0.00 C ATOM 1802 NE ARG A 113 -1.278 -9.093 19.919 1.00 0.00 N ATOM 1803 CZ ARG A 113 -1.392 -7.978 20.586 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -2.024 -6.963 20.058 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -0.874 -7.874 21.780 1.00 0.00 N ATOM 0 H ARG A 113 1.279 -11.654 15.028 1.00 0.00 H new ATOM 0 HA ARG A 113 2.646 -10.828 17.570 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.198 -10.253 16.418 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.244 -11.664 17.358 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.428 -10.645 19.429 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.377 -9.415 18.618 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.481 -8.070 18.217 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.508 -9.434 17.819 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.546 -9.976 20.353 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.428 -7.043 19.125 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.113 -6.091 20.579 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.380 -8.665 22.192 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -0.964 -7.001 22.301 1.00 0.00 H new ATOM 1819 N GLY A 114 1.519 -13.865 16.953 1.00 0.00 N ATOM 1820 CA GLY A 114 1.588 -15.258 17.491 1.00 0.00 C ATOM 1821 C GLY A 114 3.054 -15.691 17.662 1.00 0.00 C ATOM 1822 O GLY A 114 3.377 -16.422 18.581 1.00 0.00 O ATOM 0 H GLY A 114 1.100 -13.779 16.027 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.072 -15.311 18.449 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.076 -15.942 16.815 1.00 0.00 H new ATOM 2000 N GLU B 7 8.678 -9.722 -6.201 1.00 0.00 N ATOM 2001 CA GLU B 7 8.954 -9.312 -4.784 1.00 0.00 C ATOM 2002 C GLU B 7 9.672 -7.953 -4.755 1.00 0.00 C ATOM 2003 O GLU B 7 10.593 -7.752 -3.985 1.00 0.00 O ATOM 2004 CB GLU B 7 9.852 -10.411 -4.202 1.00 0.00 C ATOM 2005 CG GLU B 7 9.401 -10.745 -2.778 1.00 0.00 C ATOM 2006 CD GLU B 7 10.266 -11.876 -2.220 1.00 0.00 C ATOM 2007 OE1 GLU B 7 11.427 -11.625 -1.942 1.00 0.00 O ATOM 2008 OE2 GLU B 7 9.753 -12.974 -2.080 1.00 0.00 O ATOM 0 HA GLU B 7 8.036 -9.200 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU B 7 9.804 -11.302 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU B 7 10.891 -10.081 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU B 7 9.483 -9.863 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU B 7 8.352 -11.041 -2.778 1.00 0.00 H new ATOM 2015 N VAL B 8 9.257 -7.018 -5.587 1.00 0.00 N ATOM 2016 CA VAL B 8 9.933 -5.670 -5.588 1.00 0.00 C ATOM 2017 C VAL B 8 9.771 -5.011 -4.208 1.00 0.00 C ATOM 2018 O VAL B 8 10.698 -4.414 -3.694 1.00 0.00 O ATOM 2019 CB VAL B 8 9.251 -4.823 -6.676 1.00 0.00 C ATOM 2020 CG1 VAL B 8 9.895 -3.435 -6.728 1.00 0.00 C ATOM 2021 CG2 VAL B 8 9.422 -5.510 -8.032 1.00 0.00 C ATOM 0 H VAL B 8 8.493 -7.125 -6.255 1.00 0.00 H new ATOM 0 HA VAL B 8 11.000 -5.761 -5.792 1.00 0.00 H new ATOM 0 HB VAL B 8 8.191 -4.722 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.410 -2.837 -7.500 1.00 0.00 H new ATOM 0 HG12 VAL B 8 9.779 -2.944 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL B 8 10.956 -3.534 -6.959 1.00 0.00 H new ATOM 0 HG21 VAL B 8 8.940 -4.913 -8.806 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.484 -5.609 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL B 8 8.964 -6.499 -7.999 1.00 0.00 H new ATOM 2031 N SER B 9 8.607 -5.121 -3.597 1.00 0.00 N ATOM 2032 CA SER B 9 8.422 -4.497 -2.234 1.00 0.00 C ATOM 2033 C SER B 9 9.481 -5.037 -1.255 1.00 0.00 C ATOM 2034 O SER B 9 9.939 -4.322 -0.384 1.00 0.00 O ATOM 2035 CB SER B 9 7.014 -4.884 -1.756 1.00 0.00 C ATOM 2036 OG SER B 9 6.073 -4.590 -2.780 1.00 0.00 O ATOM 0 H SER B 9 7.791 -5.605 -3.972 1.00 0.00 H new ATOM 0 HA SER B 9 8.535 -3.414 -2.281 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.980 -5.945 -1.509 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.763 -4.337 -0.847 1.00 0.00 H new ATOM 0 HG SER B 9 5.535 -5.387 -2.968 1.00 0.00 H new ATOM 2042 N SER B 10 9.884 -6.289 -1.393 1.00 0.00 N ATOM 2043 CA SER B 10 10.927 -6.839 -0.458 1.00 0.00 C ATOM 2044 C SER B 10 12.260 -6.118 -0.696 1.00 0.00 C ATOM 2045 O SER B 10 12.827 -5.546 0.216 1.00 0.00 O ATOM 2046 CB SER B 10 11.070 -8.332 -0.782 1.00 0.00 C ATOM 2047 OG SER B 10 10.099 -9.068 -0.048 1.00 0.00 O ATOM 0 H SER B 10 9.542 -6.940 -2.099 1.00 0.00 H new ATOM 0 HA SER B 10 10.643 -6.694 0.584 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.937 -8.498 -1.851 1.00 0.00 H new ATOM 0 HB3 SER B 10 12.072 -8.677 -0.528 1.00 0.00 H new ATOM 0 HG SER B 10 10.286 -10.027 -0.128 1.00 0.00 H new ATOM 2053 N ILE B 11 12.764 -6.129 -1.917 1.00 0.00 N ATOM 2054 CA ILE B 11 14.068 -5.418 -2.182 1.00 0.00 C ATOM 2055 C ILE B 11 13.932 -3.921 -1.841 1.00 0.00 C ATOM 2056 O ILE B 11 14.878 -3.306 -1.386 1.00 0.00 O ATOM 2057 CB ILE B 11 14.415 -5.614 -3.673 1.00 0.00 C ATOM 2058 CG1 ILE B 11 13.333 -4.991 -4.565 1.00 0.00 C ATOM 2059 CG2 ILE B 11 14.522 -7.109 -3.982 1.00 0.00 C ATOM 2060 CD1 ILE B 11 13.815 -4.978 -6.017 1.00 0.00 C ATOM 0 H ILE B 11 12.341 -6.588 -2.724 1.00 0.00 H new ATOM 0 HA ILE B 11 14.864 -5.826 -1.559 1.00 0.00 H new ATOM 0 HB ILE B 11 15.367 -5.123 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE B 11 12.407 -5.560 -4.483 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.114 -3.976 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE B 11 14.767 -7.246 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE B 11 15.305 -7.553 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE B 11 13.571 -7.594 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE B 11 13.047 -4.536 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.730 -4.390 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.012 -5.999 -6.344 1.00 0.00 H new ATOM 2072 N LEU B 12 12.766 -3.327 -2.039 1.00 0.00 N ATOM 2073 CA LEU B 12 12.611 -1.867 -1.694 1.00 0.00 C ATOM 2074 C LEU B 12 12.763 -1.674 -0.177 1.00 0.00 C ATOM 2075 O LEU B 12 13.347 -0.702 0.266 1.00 0.00 O ATOM 2076 CB LEU B 12 11.202 -1.431 -2.144 1.00 0.00 C ATOM 2077 CG LEU B 12 11.297 -0.680 -3.476 1.00 0.00 C ATOM 2078 CD1 LEU B 12 11.801 -1.629 -4.567 1.00 0.00 C ATOM 2079 CD2 LEU B 12 9.913 -0.153 -3.861 1.00 0.00 C ATOM 0 H LEU B 12 11.933 -3.780 -2.416 1.00 0.00 H new ATOM 0 HA LEU B 12 13.373 -1.268 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU B 12 10.558 -2.303 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.749 -0.792 -1.386 1.00 0.00 H new ATOM 0 HG LEU B 12 11.991 0.154 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU B 12 11.868 -1.093 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU B 12 12.786 -2.007 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU B 12 11.108 -2.464 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU B 12 9.978 0.382 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU B 12 9.221 -0.989 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU B 12 9.553 0.524 -3.086 1.00 0.00 H new ATOM 2091 N GLU B 13 12.249 -2.587 0.630 1.00 0.00 N ATOM 2092 CA GLU B 13 12.388 -2.423 2.124 1.00 0.00 C ATOM 2093 C GLU B 13 13.876 -2.356 2.508 1.00 0.00 C ATOM 2094 O GLU B 13 14.265 -1.566 3.349 1.00 0.00 O ATOM 2095 CB GLU B 13 11.731 -3.652 2.772 1.00 0.00 C ATOM 2096 CG GLU B 13 11.697 -3.473 4.291 1.00 0.00 C ATOM 2097 CD GLU B 13 12.943 -4.110 4.909 1.00 0.00 C ATOM 2098 OE1 GLU B 13 13.326 -5.175 4.456 1.00 0.00 O ATOM 2099 OE2 GLU B 13 13.493 -3.521 5.825 1.00 0.00 O ATOM 0 H GLU B 13 11.749 -3.422 0.326 1.00 0.00 H new ATOM 0 HA GLU B 13 11.912 -1.503 2.463 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.719 -3.781 2.388 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.287 -4.553 2.514 1.00 0.00 H new ATOM 0 HG2 GLU B 13 11.655 -2.413 4.542 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.799 -3.933 4.702 1.00 0.00 H new ATOM 2106 N GLU B 14 14.715 -3.170 1.894 1.00 0.00 N ATOM 2107 CA GLU B 14 16.181 -3.123 2.239 1.00 0.00 C ATOM 2108 C GLU B 14 16.769 -1.760 1.837 1.00 0.00 C ATOM 2109 O GLU B 14 17.581 -1.200 2.550 1.00 0.00 O ATOM 2110 CB GLU B 14 16.862 -4.248 1.442 1.00 0.00 C ATOM 2111 CG GLU B 14 16.762 -5.561 2.222 1.00 0.00 C ATOM 2112 CD GLU B 14 17.340 -6.699 1.380 1.00 0.00 C ATOM 2113 OE1 GLU B 14 16.828 -6.926 0.296 1.00 0.00 O ATOM 2114 OE2 GLU B 14 18.282 -7.327 1.833 1.00 0.00 O ATOM 0 H GLU B 14 14.454 -3.852 1.182 1.00 0.00 H new ATOM 0 HA GLU B 14 16.338 -3.254 3.310 1.00 0.00 H new ATOM 0 HB2 GLU B 14 16.387 -4.355 0.467 1.00 0.00 H new ATOM 0 HB3 GLU B 14 17.908 -3.999 1.262 1.00 0.00 H new ATOM 0 HG2 GLU B 14 17.305 -5.479 3.164 1.00 0.00 H new ATOM 0 HG3 GLU B 14 15.722 -5.770 2.471 1.00 0.00 H new