USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 90:sc= 0.837 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.541 K(o=-0.54,f=-2.1!) USER MOD Single : A 25 SER OG : rot -165:sc= -0.568! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -65:sc= -0.89! USER MOD Single : A 34 LYS NZ :NH3+ -152:sc= -0.024 (180deg=-0.473) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -120:sc= -1.17! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 67:sc= -0.421 USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= 0.571 (180deg=0.178) USER MOD Single : A 69 ASN : amide:sc= -7.3 X(o=-7.3,f=-7.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.194 K(o=0.19,f=-6.3!) USER MOD Single : A 82 SER OG : rot -91:sc= 0.202 USER MOD Single : A 84 SER OG : rot -120:sc= -4.39! USER MOD Single : A 86 TYR OH : rot 39:sc= -1.39! USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -42:sc= 0.829 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 80.533 9.184 3.244 1.00 0.00 N ATOM 229 CA ALA A 15 79.135 8.716 3.024 1.00 0.00 C ATOM 230 C ALA A 15 79.104 7.624 1.953 1.00 0.00 C ATOM 231 O ALA A 15 78.192 6.824 1.896 1.00 0.00 O ATOM 232 CB ALA A 15 78.372 9.953 2.547 1.00 0.00 C ATOM 0 HA ALA A 15 78.698 8.289 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.331 9.689 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.420 10.728 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.821 10.324 1.626 1.00 0.00 H new ATOM 238 N ALA A 16 80.092 7.585 1.099 1.00 0.00 N ATOM 239 CA ALA A 16 80.109 6.545 0.033 1.00 0.00 C ATOM 240 C ALA A 16 80.264 5.149 0.643 1.00 0.00 C ATOM 241 O ALA A 16 79.810 4.169 0.090 1.00 0.00 O ATOM 242 CB ALA A 16 81.315 6.888 -0.839 1.00 0.00 C ATOM 0 H ALA A 16 80.885 8.227 1.094 1.00 0.00 H new ATOM 0 HA ALA A 16 79.182 6.533 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 16 81.395 6.164 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.190 7.887 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.222 6.858 -0.235 1.00 0.00 H new ATOM 248 N ARG A 17 80.898 5.050 1.778 1.00 0.00 N ATOM 249 CA ARG A 17 81.072 3.711 2.412 1.00 0.00 C ATOM 250 C ARG A 17 79.713 3.015 2.537 1.00 0.00 C ATOM 251 O ARG A 17 79.629 1.812 2.681 1.00 0.00 O ATOM 252 CB ARG A 17 81.674 3.993 3.793 1.00 0.00 C ATOM 253 CG ARG A 17 80.579 4.455 4.760 1.00 0.00 C ATOM 254 CD ARG A 17 81.022 5.743 5.456 1.00 0.00 C ATOM 255 NE ARG A 17 81.197 5.369 6.887 1.00 0.00 N ATOM 256 CZ ARG A 17 81.104 6.280 7.816 1.00 0.00 C ATOM 257 NH1 ARG A 17 79.988 6.937 7.977 1.00 0.00 N ATOM 258 NH2 ARG A 17 82.128 6.534 8.584 1.00 0.00 N ATOM 0 H ARG A 17 81.302 5.833 2.293 1.00 0.00 H new ATOM 0 HA ARG A 17 81.713 3.052 1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.155 3.094 4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 17 82.446 4.759 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 17 79.648 4.624 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 17 80.381 3.679 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 17 81.952 6.121 5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 17 80.276 6.529 5.342 1.00 0.00 H new ATOM 0 HE ARG A 17 81.390 4.400 7.141 1.00 0.00 H new ATOM 0 HH11 ARG A 17 79.188 6.738 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 17 79.916 7.649 8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 17 83.000 6.020 8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 17 82.056 7.246 9.311 1.00 0.00 H new ATOM 272 N THR A 18 78.649 3.768 2.483 1.00 0.00 N ATOM 273 CA THR A 18 77.294 3.163 2.599 1.00 0.00 C ATOM 274 C THR A 18 76.743 2.837 1.209 1.00 0.00 C ATOM 275 O THR A 18 76.964 3.562 0.259 1.00 0.00 O ATOM 276 CB THR A 18 76.443 4.241 3.273 1.00 0.00 C ATOM 277 OG1 THR A 18 77.292 5.161 3.943 1.00 0.00 O ATOM 278 CG2 THR A 18 75.497 3.592 4.283 1.00 0.00 C ATOM 0 H THR A 18 78.661 4.781 2.363 1.00 0.00 H new ATOM 0 HA THR A 18 77.300 2.231 3.165 1.00 0.00 H new ATOM 0 HB THR A 18 75.859 4.766 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.536 5.887 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 18 74.892 4.362 4.762 1.00 0.00 H new ATOM 0 HG22 THR A 18 74.845 2.886 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.078 3.065 5.039 1.00 0.00 H new ATOM 286 N LEU A 19 76.025 1.755 1.080 1.00 0.00 N ATOM 287 CA LEU A 19 75.459 1.388 -0.248 1.00 0.00 C ATOM 288 C LEU A 19 73.957 1.121 -0.127 1.00 0.00 C ATOM 289 O LEU A 19 73.534 0.213 0.557 1.00 0.00 O ATOM 290 CB LEU A 19 76.199 0.117 -0.664 1.00 0.00 C ATOM 291 CG LEU A 19 76.758 0.296 -2.076 1.00 0.00 C ATOM 292 CD1 LEU A 19 77.358 -1.026 -2.560 1.00 0.00 C ATOM 293 CD2 LEU A 19 75.629 0.719 -3.018 1.00 0.00 C ATOM 0 H LEU A 19 75.806 1.109 1.838 1.00 0.00 H new ATOM 0 HA LEU A 19 75.582 2.185 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 19 77.008 -0.092 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 19 75.523 -0.737 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 19 77.532 1.063 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 19 77.756 -0.898 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.161 -1.329 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.585 -1.794 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 19 76.025 0.847 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 19 74.856 -0.049 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 19 75.201 1.661 -2.674 1.00 0.00 H new ATOM 305 N LEU A 20 73.146 1.903 -0.787 1.00 0.00 N ATOM 306 CA LEU A 20 71.674 1.683 -0.703 1.00 0.00 C ATOM 307 C LEU A 20 71.256 0.558 -1.649 1.00 0.00 C ATOM 308 O LEU A 20 71.104 0.762 -2.837 1.00 0.00 O ATOM 309 CB LEU A 20 71.043 3.003 -1.143 1.00 0.00 C ATOM 310 CG LEU A 20 69.525 2.925 -0.963 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.194 2.741 0.519 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.885 4.217 -1.473 1.00 0.00 C ATOM 0 H LEU A 20 73.438 2.681 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 20 71.360 1.396 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.448 3.826 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 20 71.287 3.206 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 20 69.135 2.078 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.113 2.686 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.650 1.820 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.583 3.586 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.804 4.163 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 20 69.275 5.064 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 20 69.119 4.347 -2.530 1.00 0.00 H new ATOM 324 N ALA A 21 71.060 -0.627 -1.139 1.00 0.00 N ATOM 325 CA ALA A 21 70.645 -1.748 -2.027 1.00 0.00 C ATOM 326 C ALA A 21 69.163 -1.601 -2.378 1.00 0.00 C ATOM 327 O ALA A 21 68.312 -1.581 -1.513 1.00 0.00 O ATOM 328 CB ALA A 21 70.884 -3.017 -1.210 1.00 0.00 C ATOM 0 H ALA A 21 71.168 -0.866 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 21 71.200 -1.767 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.600 -3.888 -1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.939 -3.086 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.283 -2.983 -0.301 1.00 0.00 H new ATOM 334 N LYS A 22 68.846 -1.489 -3.640 1.00 0.00 N ATOM 335 CA LYS A 22 67.416 -1.332 -4.031 1.00 0.00 C ATOM 336 C LYS A 22 67.009 -2.421 -5.026 1.00 0.00 C ATOM 337 O LYS A 22 67.816 -3.222 -5.455 1.00 0.00 O ATOM 338 CB LYS A 22 67.335 0.045 -4.686 1.00 0.00 C ATOM 339 CG LYS A 22 65.868 0.437 -4.870 1.00 0.00 C ATOM 340 CD LYS A 22 65.699 1.931 -4.585 1.00 0.00 C ATOM 341 CE LYS A 22 64.449 2.448 -5.300 1.00 0.00 C ATOM 342 NZ LYS A 22 64.914 3.629 -6.079 1.00 0.00 N ATOM 0 H LYS A 22 69.511 -1.499 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 22 66.746 -1.421 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.845 0.784 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.842 0.031 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.545 0.211 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.238 -0.146 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.613 2.100 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 22 66.578 2.479 -4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.024 1.686 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.673 2.726 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.112 4.040 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 65.307 4.340 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 65.648 3.333 -6.754 1.00 0.00 H new ATOM 356 N ASN A 23 65.758 -2.452 -5.395 1.00 0.00 N ATOM 357 CA ASN A 23 65.289 -3.485 -6.362 1.00 0.00 C ATOM 358 C ASN A 23 65.475 -4.885 -5.774 1.00 0.00 C ATOM 359 O ASN A 23 65.404 -5.877 -6.473 1.00 0.00 O ATOM 360 CB ASN A 23 66.168 -3.299 -7.598 1.00 0.00 C ATOM 361 CG ASN A 23 65.540 -4.029 -8.788 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.335 -4.165 -8.864 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.311 -4.506 -9.725 1.00 0.00 N ATOM 0 H ASN A 23 65.039 -1.806 -5.068 1.00 0.00 H new ATOM 0 HA ASN A 23 64.230 -3.380 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.275 -2.238 -7.824 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.169 -3.687 -7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.903 -4.994 -10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.323 -4.391 -9.661 1.00 0.00 H new ATOM 370 N LEU A 24 65.709 -4.974 -4.494 1.00 0.00 N ATOM 371 CA LEU A 24 65.896 -6.312 -3.864 1.00 0.00 C ATOM 372 C LEU A 24 64.638 -7.162 -4.056 1.00 0.00 C ATOM 373 O LEU A 24 63.804 -6.871 -4.890 1.00 0.00 O ATOM 374 CB LEU A 24 66.126 -6.025 -2.379 1.00 0.00 C ATOM 375 CG LEU A 24 67.623 -5.863 -2.113 1.00 0.00 C ATOM 376 CD1 LEU A 24 68.368 -7.100 -2.614 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.138 -4.624 -2.849 1.00 0.00 C ATOM 0 H LEU A 24 65.779 -4.180 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 24 66.726 -6.864 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.595 -5.119 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.725 -6.839 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 24 67.792 -5.748 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.435 -6.984 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 24 68.000 -7.983 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.201 -7.217 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.205 -4.506 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 24 67.969 -4.740 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 24 67.607 -3.742 -2.492 1.00 0.00 H new ATOM 389 N SER A 25 64.494 -8.207 -3.291 1.00 0.00 N ATOM 390 CA SER A 25 63.287 -9.069 -3.431 1.00 0.00 C ATOM 391 C SER A 25 62.627 -9.280 -2.067 1.00 0.00 C ATOM 392 O SER A 25 63.096 -8.793 -1.058 1.00 0.00 O ATOM 393 CB SER A 25 63.809 -10.394 -3.988 1.00 0.00 C ATOM 394 OG SER A 25 62.836 -10.952 -4.861 1.00 0.00 O ATOM 0 H SER A 25 65.159 -8.502 -2.576 1.00 0.00 H new ATOM 0 HA SER A 25 62.534 -8.624 -4.081 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.745 -10.233 -4.523 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.022 -11.086 -3.173 1.00 0.00 H new ATOM 0 HG SER A 25 63.047 -11.895 -5.027 1.00 0.00 H new ATOM 400 N PHE A 26 61.542 -10.001 -2.029 1.00 0.00 N ATOM 401 CA PHE A 26 60.852 -10.242 -0.737 1.00 0.00 C ATOM 402 C PHE A 26 61.502 -11.420 -0.006 1.00 0.00 C ATOM 403 O PHE A 26 61.234 -11.668 1.154 1.00 0.00 O ATOM 404 CB PHE A 26 59.416 -10.575 -1.137 1.00 0.00 C ATOM 405 CG PHE A 26 58.578 -9.320 -1.102 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.894 -8.244 -1.942 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.484 -9.231 -0.234 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.117 -7.080 -1.913 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.706 -8.067 -0.205 1.00 0.00 C ATOM 410 CZ PHE A 26 57.024 -6.991 -1.045 1.00 0.00 C ATOM 0 H PHE A 26 61.104 -10.434 -2.842 1.00 0.00 H new ATOM 0 HA PHE A 26 60.905 -9.389 -0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.397 -11.009 -2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.002 -11.320 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.738 -8.313 -2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.240 -10.060 0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.361 -6.251 -2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 26 55.861 -7.998 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.425 -6.093 -1.022 1.00 0.00 H new ATOM 420 N ASN A 27 62.353 -12.148 -0.677 1.00 0.00 N ATOM 421 CA ASN A 27 63.019 -13.308 -0.029 1.00 0.00 C ATOM 422 C ASN A 27 64.472 -12.965 0.316 1.00 0.00 C ATOM 423 O ASN A 27 65.004 -13.414 1.312 1.00 0.00 O ATOM 424 CB ASN A 27 62.965 -14.427 -1.068 1.00 0.00 C ATOM 425 CG ASN A 27 62.227 -15.633 -0.481 1.00 0.00 C ATOM 426 OD1 ASN A 27 61.023 -15.736 -0.598 1.00 0.00 O ATOM 427 ND2 ASN A 27 62.904 -16.553 0.147 1.00 0.00 N ATOM 0 H ASN A 27 62.615 -11.987 -1.650 1.00 0.00 H new ATOM 0 HA ASN A 27 62.532 -13.593 0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.457 -14.079 -1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.975 -14.713 -1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 27 62.422 -17.361 0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 27 63.916 -16.465 0.244 1.00 0.00 H new ATOM 434 N ILE A 28 65.116 -12.176 -0.501 1.00 0.00 N ATOM 435 CA ILE A 28 66.534 -11.806 -0.220 1.00 0.00 C ATOM 436 C ILE A 28 66.717 -11.507 1.269 1.00 0.00 C ATOM 437 O ILE A 28 65.764 -11.283 1.987 1.00 0.00 O ATOM 438 CB ILE A 28 66.788 -10.549 -1.052 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.284 -10.227 -1.047 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.012 -9.375 -0.451 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.034 -11.281 -1.864 1.00 0.00 C ATOM 0 H ILE A 28 64.722 -11.772 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 28 67.227 -12.609 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 28 66.456 -10.718 -2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.455 -9.236 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.660 -10.209 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.192 -8.478 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 28 64.946 -9.604 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.344 -9.206 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.100 -11.053 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.872 -12.265 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.665 -11.277 -2.890 1.00 0.00 H new ATOM 453 N THR A 29 67.934 -11.502 1.739 1.00 0.00 N ATOM 454 CA THR A 29 68.168 -11.218 3.183 1.00 0.00 C ATOM 455 C THR A 29 69.632 -10.839 3.429 1.00 0.00 C ATOM 456 O THR A 29 70.450 -10.844 2.527 1.00 0.00 O ATOM 457 CB THR A 29 67.828 -12.525 3.903 1.00 0.00 C ATOM 458 OG1 THR A 29 68.263 -13.623 3.113 1.00 0.00 O ATOM 459 CG2 THR A 29 66.316 -12.614 4.117 1.00 0.00 C ATOM 0 H THR A 29 68.774 -11.682 1.188 1.00 0.00 H new ATOM 0 HA THR A 29 67.564 -10.383 3.537 1.00 0.00 H new ATOM 0 HB THR A 29 68.330 -12.550 4.870 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.748 -13.651 2.279 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.075 -13.545 4.630 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.984 -11.770 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.810 -12.590 3.152 1.00 0.00 H new ATOM 467 N GLU A 30 69.965 -10.513 4.648 1.00 0.00 N ATOM 468 CA GLU A 30 71.371 -10.136 4.963 1.00 0.00 C ATOM 469 C GLU A 30 72.325 -11.227 4.478 1.00 0.00 C ATOM 470 O GLU A 30 73.446 -10.960 4.097 1.00 0.00 O ATOM 471 CB GLU A 30 71.418 -10.017 6.487 1.00 0.00 C ATOM 472 CG GLU A 30 72.430 -8.941 6.885 1.00 0.00 C ATOM 473 CD GLU A 30 73.176 -9.383 8.145 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.424 -10.570 8.278 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.488 -8.526 8.956 1.00 0.00 O ATOM 0 H GLU A 30 69.323 -10.492 5.440 1.00 0.00 H new ATOM 0 HA GLU A 30 71.672 -9.209 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.431 -9.763 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.696 -10.974 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.136 -8.772 6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.919 -7.995 7.065 1.00 0.00 H new ATOM 482 N ASP A 31 71.886 -12.455 4.485 1.00 0.00 N ATOM 483 CA ASP A 31 72.769 -13.561 4.018 1.00 0.00 C ATOM 484 C ASP A 31 73.124 -13.358 2.545 1.00 0.00 C ATOM 485 O ASP A 31 74.273 -13.425 2.156 1.00 0.00 O ATOM 486 CB ASP A 31 71.944 -14.835 4.203 1.00 0.00 C ATOM 487 CG ASP A 31 72.119 -15.355 5.631 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.657 -14.623 6.446 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.714 -16.477 5.886 1.00 0.00 O ATOM 0 H ASP A 31 70.956 -12.740 4.793 1.00 0.00 H new ATOM 0 HA ASP A 31 73.708 -13.605 4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.892 -14.631 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.261 -15.593 3.487 1.00 0.00 H new ATOM 494 N GLU A 32 72.143 -13.103 1.729 1.00 0.00 N ATOM 495 CA GLU A 32 72.416 -12.887 0.280 1.00 0.00 C ATOM 496 C GLU A 32 73.176 -11.577 0.086 1.00 0.00 C ATOM 497 O GLU A 32 74.098 -11.485 -0.704 1.00 0.00 O ATOM 498 CB GLU A 32 71.038 -12.814 -0.379 1.00 0.00 C ATOM 499 CG GLU A 32 70.454 -14.223 -0.502 1.00 0.00 C ATOM 500 CD GLU A 32 69.889 -14.663 0.849 1.00 0.00 C ATOM 501 OE1 GLU A 32 70.674 -15.043 1.702 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.680 -14.614 1.009 1.00 0.00 O ATOM 0 H GLU A 32 71.162 -13.034 2.001 1.00 0.00 H new ATOM 0 HA GLU A 32 73.027 -13.680 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.374 -12.184 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.119 -12.355 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.669 -14.238 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.225 -14.920 -0.830 1.00 0.00 H new ATOM 509 N LEU A 33 72.810 -10.565 0.821 1.00 0.00 N ATOM 510 CA LEU A 33 73.522 -9.270 0.696 1.00 0.00 C ATOM 511 C LEU A 33 74.899 -9.417 1.322 1.00 0.00 C ATOM 512 O LEU A 33 75.883 -8.911 0.821 1.00 0.00 O ATOM 513 CB LEU A 33 72.674 -8.262 1.472 1.00 0.00 C ATOM 514 CG LEU A 33 71.630 -7.648 0.538 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.446 -8.606 0.392 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.140 -6.321 1.125 1.00 0.00 C ATOM 0 H LEU A 33 72.050 -10.581 1.501 1.00 0.00 H new ATOM 0 HA LEU A 33 73.654 -8.950 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.182 -8.754 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.309 -7.480 1.889 1.00 0.00 H new ATOM 0 HG LEU A 33 72.078 -7.473 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.703 -8.167 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.793 -9.552 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.998 -8.782 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.396 -5.882 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.693 -6.499 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.982 -5.637 1.230 1.00 0.00 H new ATOM 528 N LYS A 34 74.978 -10.133 2.409 1.00 0.00 N ATOM 529 CA LYS A 34 76.294 -10.337 3.055 1.00 0.00 C ATOM 530 C LYS A 34 77.103 -11.321 2.220 1.00 0.00 C ATOM 531 O LYS A 34 78.317 -11.350 2.261 1.00 0.00 O ATOM 532 CB LYS A 34 75.989 -10.910 4.439 1.00 0.00 C ATOM 533 CG LYS A 34 77.293 -11.070 5.225 1.00 0.00 C ATOM 534 CD LYS A 34 77.720 -12.539 5.212 1.00 0.00 C ATOM 535 CE LYS A 34 77.959 -13.015 6.647 1.00 0.00 C ATOM 536 NZ LYS A 34 79.115 -12.210 7.130 1.00 0.00 N ATOM 0 H LYS A 34 74.188 -10.582 2.873 1.00 0.00 H new ATOM 0 HA LYS A 34 76.874 -9.418 3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.308 -10.250 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.489 -11.874 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 34 78.074 -10.449 4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.156 -10.729 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.950 -13.148 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 34 78.628 -12.659 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 34 77.078 -12.854 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.180 -14.082 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.635 -12.748 7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.748 -11.999 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.770 -11.320 7.543 1.00 0.00 H new ATOM 550 N GLU A 35 76.423 -12.113 1.447 1.00 0.00 N ATOM 551 CA GLU A 35 77.118 -13.093 0.576 1.00 0.00 C ATOM 552 C GLU A 35 77.615 -12.382 -0.682 1.00 0.00 C ATOM 553 O GLU A 35 78.663 -12.689 -1.212 1.00 0.00 O ATOM 554 CB GLU A 35 76.059 -14.138 0.224 1.00 0.00 C ATOM 555 CG GLU A 35 76.633 -15.124 -0.796 1.00 0.00 C ATOM 556 CD GLU A 35 75.914 -16.468 -0.670 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.953 -16.536 0.079 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.336 -17.407 -1.325 1.00 0.00 O ATOM 0 H GLU A 35 75.405 -12.124 1.381 1.00 0.00 H new ATOM 0 HA GLU A 35 77.982 -13.550 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.745 -14.670 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.174 -13.651 -0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.514 -14.730 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.702 -15.255 -0.629 1.00 0.00 H new ATOM 565 N VAL A 36 76.870 -11.417 -1.150 1.00 0.00 N ATOM 566 CA VAL A 36 77.299 -10.667 -2.362 1.00 0.00 C ATOM 567 C VAL A 36 78.176 -9.487 -1.946 1.00 0.00 C ATOM 568 O VAL A 36 79.175 -9.189 -2.571 1.00 0.00 O ATOM 569 CB VAL A 36 76.003 -10.174 -3.005 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.334 -9.269 -4.193 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.187 -11.374 -3.492 1.00 0.00 C ATOM 0 H VAL A 36 75.983 -11.117 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 36 77.881 -11.279 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 36 75.424 -9.613 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.410 -8.918 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.916 -8.414 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.913 -9.829 -4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.263 -11.023 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.766 -11.934 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.950 -12.020 -2.647 1.00 0.00 H new ATOM 581 N PHE A 37 77.810 -8.813 -0.889 1.00 0.00 N ATOM 582 CA PHE A 37 78.613 -7.659 -0.424 1.00 0.00 C ATOM 583 C PHE A 37 79.706 -8.131 0.538 1.00 0.00 C ATOM 584 O PHE A 37 79.987 -7.496 1.535 1.00 0.00 O ATOM 585 CB PHE A 37 77.608 -6.769 0.299 1.00 0.00 C ATOM 586 CG PHE A 37 76.492 -6.388 -0.646 1.00 0.00 C ATOM 587 CD1 PHE A 37 76.738 -6.291 -2.021 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.210 -6.132 -0.144 1.00 0.00 C ATOM 589 CE1 PHE A 37 75.701 -5.937 -2.893 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.174 -5.779 -1.016 1.00 0.00 C ATOM 591 CZ PHE A 37 74.419 -5.681 -2.391 1.00 0.00 C ATOM 0 H PHE A 37 76.983 -9.018 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 37 79.116 -7.138 -1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.202 -7.292 1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.104 -5.873 0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 37 77.726 -6.489 -2.409 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.021 -6.207 0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 37 75.890 -5.861 -3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.185 -5.582 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.620 -5.408 -3.064 1.00 0.00 H new ATOM 601 N GLU A 38 80.323 -9.246 0.250 1.00 0.00 N ATOM 602 CA GLU A 38 81.394 -9.763 1.151 1.00 0.00 C ATOM 603 C GLU A 38 82.454 -8.686 1.396 1.00 0.00 C ATOM 604 O GLU A 38 83.224 -8.762 2.333 1.00 0.00 O ATOM 605 CB GLU A 38 81.999 -10.950 0.402 1.00 0.00 C ATOM 606 CG GLU A 38 81.479 -12.255 1.008 1.00 0.00 C ATOM 607 CD GLU A 38 82.391 -12.685 2.158 1.00 0.00 C ATOM 608 OE1 GLU A 38 83.250 -11.901 2.531 1.00 0.00 O ATOM 609 OE2 GLU A 38 82.217 -13.789 2.646 1.00 0.00 O ATOM 0 H GLU A 38 80.132 -9.821 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 38 81.006 -10.049 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.738 -10.898 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 38 83.087 -10.916 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 38 80.460 -12.119 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.446 -13.034 0.246 1.00 0.00 H new ATOM 616 N ASP A 39 82.503 -7.683 0.562 1.00 0.00 N ATOM 617 CA ASP A 39 83.517 -6.605 0.753 1.00 0.00 C ATOM 618 C ASP A 39 82.940 -5.484 1.619 1.00 0.00 C ATOM 619 O ASP A 39 83.494 -4.405 1.704 1.00 0.00 O ATOM 620 CB ASP A 39 83.823 -6.095 -0.655 1.00 0.00 C ATOM 621 CG ASP A 39 85.254 -5.557 -0.704 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.170 -6.360 -0.627 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.410 -4.353 -0.818 1.00 0.00 O ATOM 0 H ASP A 39 81.887 -7.563 -0.242 1.00 0.00 H new ATOM 0 HA ASP A 39 84.413 -6.965 1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.701 -6.900 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.119 -5.310 -0.930 1.00 0.00 H new ATOM 628 N ALA A 40 81.832 -5.726 2.264 1.00 0.00 N ATOM 629 CA ALA A 40 81.225 -4.669 3.122 1.00 0.00 C ATOM 630 C ALA A 40 81.351 -5.048 4.601 1.00 0.00 C ATOM 631 O ALA A 40 81.615 -6.185 4.940 1.00 0.00 O ATOM 632 CB ALA A 40 79.755 -4.616 2.706 1.00 0.00 C ATOM 0 H ALA A 40 81.321 -6.608 2.234 1.00 0.00 H new ATOM 0 HA ALA A 40 81.719 -3.705 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.237 -3.859 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.685 -4.364 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.293 -5.588 2.879 1.00 0.00 H new ATOM 638 N LEU A 41 81.167 -4.103 5.484 1.00 0.00 N ATOM 639 CA LEU A 41 81.278 -4.409 6.937 1.00 0.00 C ATOM 640 C LEU A 41 79.960 -4.990 7.444 1.00 0.00 C ATOM 641 O LEU A 41 79.933 -5.965 8.169 1.00 0.00 O ATOM 642 CB LEU A 41 81.558 -3.075 7.648 1.00 0.00 C ATOM 643 CG LEU A 41 82.338 -2.125 6.739 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.927 -0.990 7.577 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.469 -2.888 6.045 1.00 0.00 C ATOM 0 H LEU A 41 80.945 -3.133 5.260 1.00 0.00 H new ATOM 0 HA LEU A 41 82.069 -5.134 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.617 -2.611 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.124 -3.257 8.562 1.00 0.00 H new ATOM 0 HG LEU A 41 81.667 -1.712 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.484 -0.311 6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 41 82.121 -0.444 8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.597 -1.404 8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.023 -2.208 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.142 -3.303 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.049 -3.697 5.447 1.00 0.00 H new ATOM 657 N GLU A 42 78.867 -4.389 7.070 1.00 0.00 N ATOM 658 CA GLU A 42 77.542 -4.894 7.533 1.00 0.00 C ATOM 659 C GLU A 42 76.452 -4.533 6.526 1.00 0.00 C ATOM 660 O GLU A 42 76.655 -3.738 5.629 1.00 0.00 O ATOM 661 CB GLU A 42 77.296 -4.188 8.867 1.00 0.00 C ATOM 662 CG GLU A 42 77.911 -5.008 10.001 1.00 0.00 C ATOM 663 CD GLU A 42 76.889 -5.170 11.128 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.232 -4.194 11.450 1.00 0.00 O ATOM 665 OE2 GLU A 42 76.779 -6.268 11.649 1.00 0.00 O ATOM 0 H GLU A 42 78.832 -3.570 6.464 1.00 0.00 H new ATOM 0 HA GLU A 42 77.528 -5.979 7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.733 -3.190 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.226 -4.064 9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.218 -5.986 9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.807 -4.514 10.377 1.00 0.00 H new ATOM 672 N ILE A 43 75.295 -5.115 6.667 1.00 0.00 N ATOM 673 CA ILE A 43 74.186 -4.813 5.718 1.00 0.00 C ATOM 674 C ILE A 43 72.868 -4.642 6.474 1.00 0.00 C ATOM 675 O ILE A 43 72.684 -5.160 7.558 1.00 0.00 O ATOM 676 CB ILE A 43 74.123 -6.029 4.791 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.222 -5.915 3.734 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.757 -6.092 4.101 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.668 -7.315 3.308 1.00 0.00 C ATOM 0 H ILE A 43 75.068 -5.788 7.399 1.00 0.00 H new ATOM 0 HA ILE A 43 74.353 -3.887 5.168 1.00 0.00 H new ATOM 0 HB ILE A 43 74.268 -6.936 5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.855 -5.360 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.069 -5.358 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.721 -6.960 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.973 -6.174 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.604 -5.186 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.451 -7.234 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.052 -7.854 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.819 -7.856 2.891 1.00 0.00 H new ATOM 691 N ARG A 44 71.952 -3.920 5.898 1.00 0.00 N ATOM 692 CA ARG A 44 70.637 -3.705 6.558 1.00 0.00 C ATOM 693 C ARG A 44 69.516 -3.838 5.524 1.00 0.00 C ATOM 694 O ARG A 44 69.758 -3.828 4.333 1.00 0.00 O ATOM 695 CB ARG A 44 70.709 -2.283 7.110 1.00 0.00 C ATOM 696 CG ARG A 44 71.256 -2.320 8.537 1.00 0.00 C ATOM 697 CD ARG A 44 70.144 -1.959 9.524 1.00 0.00 C ATOM 698 NE ARG A 44 70.767 -2.094 10.870 1.00 0.00 N ATOM 699 CZ ARG A 44 70.023 -2.045 11.941 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.875 -2.664 11.968 1.00 0.00 N ATOM 701 NH2 ARG A 44 70.429 -1.377 12.986 1.00 0.00 N ATOM 0 H ARG A 44 72.058 -3.466 4.991 1.00 0.00 H new ATOM 0 HA ARG A 44 70.430 -4.431 7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.350 -1.668 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.719 -1.826 7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.647 -3.312 8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 44 72.086 -1.620 8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.781 -0.945 9.357 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.288 -2.626 9.416 1.00 0.00 H new ATOM 0 HE ARG A 44 71.775 -2.225 10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.558 -3.187 11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 44 68.294 -2.625 12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 44 71.327 -0.894 12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 44 69.848 -1.338 13.824 1.00 0.00 H new ATOM 715 N LEU A 45 68.295 -3.970 5.961 1.00 0.00 N ATOM 716 CA LEU A 45 67.173 -4.110 4.990 1.00 0.00 C ATOM 717 C LEU A 45 66.262 -2.885 5.052 1.00 0.00 C ATOM 718 O LEU A 45 66.292 -2.124 5.997 1.00 0.00 O ATOM 719 CB LEU A 45 66.418 -5.364 5.432 1.00 0.00 C ATOM 720 CG LEU A 45 66.327 -6.343 4.261 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.433 -7.522 4.648 1.00 0.00 C ATOM 722 CD2 LEU A 45 65.728 -5.629 3.046 1.00 0.00 C ATOM 0 H LEU A 45 68.025 -3.987 6.945 1.00 0.00 H new ATOM 0 HA LEU A 45 67.526 -4.189 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.930 -5.832 6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.419 -5.098 5.776 1.00 0.00 H new ATOM 0 HG LEU A 45 67.324 -6.708 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.369 -8.219 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 45 65.857 -8.031 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.436 -7.157 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 45 65.663 -6.326 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 45 64.731 -5.264 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.363 -4.788 2.768 1.00 0.00 H new ATOM 734 N VAL A 46 65.453 -2.687 4.048 1.00 0.00 N ATOM 735 CA VAL A 46 64.544 -1.508 4.050 1.00 0.00 C ATOM 736 C VAL A 46 63.332 -1.760 3.144 1.00 0.00 C ATOM 737 O VAL A 46 63.461 -2.108 1.977 1.00 0.00 O ATOM 738 CB VAL A 46 65.394 -0.354 3.522 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.503 0.862 3.269 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.461 0.003 4.560 1.00 0.00 C ATOM 0 H VAL A 46 65.383 -3.290 3.228 1.00 0.00 H new ATOM 0 HA VAL A 46 64.145 -1.296 5.042 1.00 0.00 H new ATOM 0 HB VAL A 46 65.875 -0.651 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.110 1.685 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.740 0.607 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.023 1.162 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.070 0.826 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 46 65.978 0.301 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.096 -0.864 4.742 1.00 0.00 H new ATOM 750 N SER A 47 62.155 -1.586 3.688 1.00 0.00 N ATOM 751 CA SER A 47 60.909 -1.807 2.901 1.00 0.00 C ATOM 752 C SER A 47 59.998 -0.581 3.000 1.00 0.00 C ATOM 753 O SER A 47 60.406 0.472 3.447 1.00 0.00 O ATOM 754 CB SER A 47 60.250 -3.019 3.556 1.00 0.00 C ATOM 755 OG SER A 47 59.815 -2.668 4.862 1.00 0.00 O ATOM 0 H SER A 47 62.005 -1.297 4.655 1.00 0.00 H new ATOM 0 HA SER A 47 61.107 -1.968 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.404 -3.356 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.955 -3.848 3.606 1.00 0.00 H new ATOM 0 HG SER A 47 59.390 -3.443 5.285 1.00 0.00 H new ATOM 819 N SER A 52 57.842 -5.184 2.475 1.00 0.00 N ATOM 820 CA SER A 52 59.115 -5.272 1.700 1.00 0.00 C ATOM 821 C SER A 52 59.056 -4.385 0.459 1.00 0.00 C ATOM 822 O SER A 52 58.120 -4.432 -0.314 1.00 0.00 O ATOM 823 CB SER A 52 59.244 -6.737 1.300 1.00 0.00 C ATOM 824 OG SER A 52 59.812 -6.821 0.001 1.00 0.00 O ATOM 0 HA SER A 52 59.968 -4.932 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 52 59.869 -7.268 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.265 -7.217 1.313 1.00 0.00 H new ATOM 0 HG SER A 52 59.186 -7.274 -0.601 1.00 0.00 H new ATOM 830 N LYS A 53 60.056 -3.578 0.271 1.00 0.00 N ATOM 831 CA LYS A 53 60.083 -2.677 -0.915 1.00 0.00 C ATOM 832 C LYS A 53 61.304 -2.998 -1.772 1.00 0.00 C ATOM 833 O LYS A 53 61.392 -2.614 -2.921 1.00 0.00 O ATOM 834 CB LYS A 53 60.185 -1.264 -0.340 1.00 0.00 C ATOM 835 CG LYS A 53 60.117 -0.243 -1.478 1.00 0.00 C ATOM 836 CD LYS A 53 58.816 -0.435 -2.260 1.00 0.00 C ATOM 837 CE LYS A 53 58.150 0.924 -2.488 1.00 0.00 C ATOM 838 NZ LYS A 53 58.781 1.458 -3.727 1.00 0.00 N ATOM 0 H LYS A 53 60.863 -3.501 0.890 1.00 0.00 H new ATOM 0 HA LYS A 53 59.203 -2.790 -1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.375 -1.089 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.119 -1.150 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.166 0.769 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 53 60.973 -0.364 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 53 59.022 -0.916 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 53 58.143 -1.094 -1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 53 57.072 0.820 -2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 53 58.314 1.591 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 58.376 2.390 -3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 59.806 1.552 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 58.602 0.805 -4.517 1.00 0.00 H new ATOM 852 N GLY A 54 62.247 -3.710 -1.220 1.00 0.00 N ATOM 853 CA GLY A 54 63.460 -4.068 -1.996 1.00 0.00 C ATOM 854 C GLY A 54 64.584 -3.073 -1.698 1.00 0.00 C ATOM 855 O GLY A 54 65.458 -2.860 -2.514 1.00 0.00 O ATOM 0 H GLY A 54 62.227 -4.059 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.780 -5.078 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.234 -4.065 -3.062 1.00 0.00 H new ATOM 859 N ILE A 55 64.586 -2.466 -0.539 1.00 0.00 N ATOM 860 CA ILE A 55 65.680 -1.503 -0.228 1.00 0.00 C ATOM 861 C ILE A 55 66.556 -2.069 0.892 1.00 0.00 C ATOM 862 O ILE A 55 66.092 -2.818 1.727 1.00 0.00 O ATOM 863 CB ILE A 55 64.980 -0.217 0.219 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.761 0.044 -0.672 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.951 0.958 0.096 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.218 0.245 -2.117 1.00 0.00 C ATOM 0 H ILE A 55 63.888 -2.593 0.194 1.00 0.00 H new ATOM 0 HA ILE A 55 66.330 -1.318 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 55 64.658 -0.324 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 55 63.068 -0.795 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.225 0.926 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.455 1.875 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.821 0.779 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.270 1.059 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.351 0.431 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.895 1.098 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.735 -0.650 -2.463 1.00 0.00 H new ATOM 878 N ALA A 56 67.816 -1.732 0.916 1.00 0.00 N ATOM 879 CA ALA A 56 68.702 -2.270 1.986 1.00 0.00 C ATOM 880 C ALA A 56 69.791 -1.254 2.335 1.00 0.00 C ATOM 881 O ALA A 56 70.227 -0.485 1.500 1.00 0.00 O ATOM 882 CB ALA A 56 69.320 -3.534 1.390 1.00 0.00 C ATOM 0 H ALA A 56 68.268 -1.111 0.245 1.00 0.00 H new ATOM 0 HA ALA A 56 68.156 -2.477 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.988 -3.991 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.529 -4.238 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.884 -3.276 0.494 1.00 0.00 H new ATOM 888 N TYR A 57 70.240 -1.250 3.560 1.00 0.00 N ATOM 889 CA TYR A 57 71.305 -0.291 3.958 1.00 0.00 C ATOM 890 C TYR A 57 72.638 -1.029 4.072 1.00 0.00 C ATOM 891 O TYR A 57 72.896 -1.724 5.036 1.00 0.00 O ATOM 892 CB TYR A 57 70.867 0.255 5.318 1.00 0.00 C ATOM 893 CG TYR A 57 70.500 1.713 5.181 1.00 0.00 C ATOM 894 CD1 TYR A 57 69.879 2.173 4.014 1.00 0.00 C ATOM 895 CD2 TYR A 57 70.780 2.605 6.223 1.00 0.00 C ATOM 896 CE1 TYR A 57 69.539 3.524 3.889 1.00 0.00 C ATOM 897 CE2 TYR A 57 70.440 3.958 6.097 1.00 0.00 C ATOM 898 CZ TYR A 57 69.819 4.417 4.930 1.00 0.00 C ATOM 899 OH TYR A 57 69.484 5.750 4.806 1.00 0.00 O ATOM 0 H TYR A 57 69.914 -1.870 4.302 1.00 0.00 H new ATOM 0 HA TYR A 57 71.440 0.512 3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.014 -0.312 5.692 1.00 0.00 H new ATOM 0 HB3 TYR A 57 71.671 0.138 6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 57 69.662 1.485 3.210 1.00 0.00 H new ATOM 0 HD2 TYR A 57 71.258 2.250 7.124 1.00 0.00 H new ATOM 0 HE1 TYR A 57 69.060 3.879 2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 57 70.657 4.647 6.900 1.00 0.00 H new ATOM 0 HH TYR A 57 69.747 6.230 5.619 1.00 0.00 H new ATOM 909 N ILE A 58 73.481 -0.892 3.090 1.00 0.00 N ATOM 910 CA ILE A 58 74.796 -1.592 3.131 1.00 0.00 C ATOM 911 C ILE A 58 75.884 -0.627 3.609 1.00 0.00 C ATOM 912 O ILE A 58 75.986 0.487 3.140 1.00 0.00 O ATOM 913 CB ILE A 58 75.062 -2.032 1.686 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.760 -2.505 1.030 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.067 -3.183 1.679 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.271 -3.773 1.729 1.00 0.00 C ATOM 0 H ILE A 58 73.318 -0.325 2.258 1.00 0.00 H new ATOM 0 HA ILE A 58 74.794 -2.440 3.816 1.00 0.00 H new ATOM 0 HB ILE A 58 75.461 -1.185 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.002 -1.725 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.924 -2.701 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.256 -3.495 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.001 -2.854 2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.663 -4.022 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.345 -4.111 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.028 -4.553 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 58 73.091 -3.561 2.783 1.00 0.00 H new ATOM 928 N GLU A 59 76.697 -1.043 4.539 1.00 0.00 N ATOM 929 CA GLU A 59 77.774 -0.146 5.041 1.00 0.00 C ATOM 930 C GLU A 59 79.139 -0.771 4.756 1.00 0.00 C ATOM 931 O GLU A 59 79.633 -1.583 5.514 1.00 0.00 O ATOM 932 CB GLU A 59 77.542 -0.004 6.555 1.00 0.00 C ATOM 933 CG GLU A 59 76.808 -1.230 7.115 1.00 0.00 C ATOM 934 CD GLU A 59 76.717 -1.119 8.638 1.00 0.00 C ATOM 935 OE1 GLU A 59 77.644 -0.592 9.230 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.722 -1.562 9.186 1.00 0.00 O ATOM 0 H GLU A 59 76.662 -1.965 4.973 1.00 0.00 H new ATOM 0 HA GLU A 59 77.754 0.828 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.499 0.116 7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 59 76.960 0.896 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.809 -1.297 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.337 -2.142 6.837 1.00 0.00 H new ATOM 943 N PHE A 60 79.748 -0.405 3.662 1.00 0.00 N ATOM 944 CA PHE A 60 81.078 -0.982 3.320 1.00 0.00 C ATOM 945 C PHE A 60 82.172 -0.369 4.192 1.00 0.00 C ATOM 946 O PHE A 60 81.916 0.448 5.053 1.00 0.00 O ATOM 947 CB PHE A 60 81.306 -0.628 1.852 1.00 0.00 C ATOM 948 CG PHE A 60 80.494 -1.555 0.981 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.163 -1.247 0.676 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.075 -2.726 0.478 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.412 -2.111 -0.130 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.324 -3.589 -0.328 1.00 0.00 C ATOM 953 CZ PHE A 60 78.992 -3.282 -0.633 1.00 0.00 C ATOM 0 H PHE A 60 79.382 0.269 2.990 1.00 0.00 H new ATOM 0 HA PHE A 60 81.107 -2.058 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.019 0.407 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.364 -0.714 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.716 -0.343 1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.102 -2.963 0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.385 -1.874 -0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.772 -4.492 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.413 -3.948 -1.256 1.00 0.00 H new ATOM 963 N LYS A 61 83.390 -0.769 3.971 1.00 0.00 N ATOM 964 CA LYS A 61 84.519 -0.227 4.782 1.00 0.00 C ATOM 965 C LYS A 61 84.913 1.161 4.276 1.00 0.00 C ATOM 966 O LYS A 61 85.544 1.932 4.972 1.00 0.00 O ATOM 967 CB LYS A 61 85.665 -1.217 4.576 1.00 0.00 C ATOM 968 CG LYS A 61 86.697 -1.044 5.692 1.00 0.00 C ATOM 969 CD LYS A 61 87.867 -0.203 5.179 1.00 0.00 C ATOM 970 CE LYS A 61 89.187 -0.856 5.596 1.00 0.00 C ATOM 971 NZ LYS A 61 90.226 -0.192 4.760 1.00 0.00 N ATOM 0 H LYS A 61 83.657 -1.451 3.261 1.00 0.00 H new ATOM 0 HA LYS A 61 84.257 -0.119 5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.282 -2.238 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.132 -1.051 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 61 86.238 -0.560 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 61 87.054 -2.018 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.819 -0.117 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.806 0.808 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.382 -0.709 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.168 -1.932 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 91.160 -0.587 4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 90.018 -0.355 3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 90.226 0.830 4.953 1.00 0.00 H new ATOM 985 N SER A 62 84.545 1.484 3.069 1.00 0.00 N ATOM 986 CA SER A 62 84.898 2.821 2.516 1.00 0.00 C ATOM 987 C SER A 62 84.268 2.999 1.133 1.00 0.00 C ATOM 988 O SER A 62 83.776 2.060 0.538 1.00 0.00 O ATOM 989 CB SER A 62 86.422 2.820 2.415 1.00 0.00 C ATOM 990 OG SER A 62 86.893 1.478 2.419 1.00 0.00 O ATOM 0 H SER A 62 84.015 0.880 2.441 1.00 0.00 H new ATOM 0 HA SER A 62 84.534 3.637 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 62 86.738 3.325 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 62 86.854 3.371 3.250 1.00 0.00 H new ATOM 0 HG SER A 62 86.610 1.029 1.595 1.00 0.00 H new ATOM 996 N GLU A 63 84.280 4.196 0.620 1.00 0.00 N ATOM 997 CA GLU A 63 83.682 4.435 -0.723 1.00 0.00 C ATOM 998 C GLU A 63 84.218 3.416 -1.730 1.00 0.00 C ATOM 999 O GLU A 63 83.504 2.954 -2.597 1.00 0.00 O ATOM 1000 CB GLU A 63 84.119 5.849 -1.105 1.00 0.00 C ATOM 1001 CG GLU A 63 83.724 6.133 -2.555 1.00 0.00 C ATOM 1002 CD GLU A 63 84.908 6.759 -3.294 1.00 0.00 C ATOM 1003 OE1 GLU A 63 85.686 7.444 -2.650 1.00 0.00 O ATOM 1004 OE2 GLU A 63 85.016 6.545 -4.490 1.00 0.00 O ATOM 0 H GLU A 63 84.678 5.020 1.072 1.00 0.00 H new ATOM 0 HA GLU A 63 82.597 4.332 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.652 6.577 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.197 5.953 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.421 5.209 -3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 63 82.867 6.806 -2.584 1.00 0.00 H new ATOM 1011 N ALA A 64 85.469 3.062 -1.625 1.00 0.00 N ATOM 1012 CA ALA A 64 86.039 2.077 -2.580 1.00 0.00 C ATOM 1013 C ALA A 64 85.338 0.731 -2.415 1.00 0.00 C ATOM 1014 O ALA A 64 85.013 0.067 -3.377 1.00 0.00 O ATOM 1015 CB ALA A 64 87.520 1.968 -2.210 1.00 0.00 C ATOM 0 H ALA A 64 86.118 3.412 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 64 85.908 2.380 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.010 1.256 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 64 87.993 2.944 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 64 87.613 1.626 -1.179 1.00 0.00 H new ATOM 1021 N ASP A 65 85.083 0.331 -1.200 1.00 0.00 N ATOM 1022 CA ASP A 65 84.381 -0.961 -0.986 1.00 0.00 C ATOM 1023 C ASP A 65 82.957 -0.835 -1.517 1.00 0.00 C ATOM 1024 O ASP A 65 82.506 -1.624 -2.326 1.00 0.00 O ATOM 1025 CB ASP A 65 84.379 -1.174 0.529 1.00 0.00 C ATOM 1026 CG ASP A 65 85.786 -1.552 0.995 1.00 0.00 C ATOM 1027 OD1 ASP A 65 86.730 -0.937 0.526 1.00 0.00 O ATOM 1028 OD2 ASP A 65 85.896 -2.450 1.814 1.00 0.00 O ATOM 0 H ASP A 65 85.330 0.841 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 65 84.857 -1.797 -1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.049 -0.266 1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 65 83.673 -1.961 0.795 1.00 0.00 H new ATOM 1033 N ALA A 66 82.253 0.172 -1.080 1.00 0.00 N ATOM 1034 CA ALA A 66 80.863 0.376 -1.568 1.00 0.00 C ATOM 1035 C ALA A 66 80.881 0.668 -3.072 1.00 0.00 C ATOM 1036 O ALA A 66 80.067 0.165 -3.820 1.00 0.00 O ATOM 1037 CB ALA A 66 80.345 1.583 -0.788 1.00 0.00 C ATOM 0 H ALA A 66 82.582 0.863 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 66 80.232 -0.500 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.321 1.800 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.369 1.364 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 66 80.975 2.448 -0.995 1.00 0.00 H new ATOM 1043 N GLU A 67 81.812 1.471 -3.524 1.00 0.00 N ATOM 1044 CA GLU A 67 81.882 1.782 -4.978 1.00 0.00 C ATOM 1045 C GLU A 67 82.360 0.551 -5.751 1.00 0.00 C ATOM 1046 O GLU A 67 81.776 0.163 -6.745 1.00 0.00 O ATOM 1047 CB GLU A 67 82.902 2.916 -5.094 1.00 0.00 C ATOM 1048 CG GLU A 67 83.101 3.275 -6.568 1.00 0.00 C ATOM 1049 CD GLU A 67 84.454 3.966 -6.748 1.00 0.00 C ATOM 1050 OE1 GLU A 67 85.403 3.543 -6.107 1.00 0.00 O ATOM 1051 OE2 GLU A 67 84.520 4.906 -7.522 1.00 0.00 O ATOM 0 H GLU A 67 82.523 1.922 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 67 80.913 2.065 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.556 3.789 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 67 83.851 2.613 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 67 83.056 2.375 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.298 3.931 -6.905 1.00 0.00 H new ATOM 1058 N LYS A 68 83.410 -0.078 -5.294 1.00 0.00 N ATOM 1059 CA LYS A 68 83.911 -1.290 -5.999 1.00 0.00 C ATOM 1060 C LYS A 68 82.787 -2.316 -6.081 1.00 0.00 C ATOM 1061 O LYS A 68 82.600 -2.975 -7.084 1.00 0.00 O ATOM 1062 CB LYS A 68 85.060 -1.813 -5.134 1.00 0.00 C ATOM 1063 CG LYS A 68 85.642 -3.078 -5.769 1.00 0.00 C ATOM 1064 CD LYS A 68 86.332 -2.717 -7.086 1.00 0.00 C ATOM 1065 CE LYS A 68 87.297 -3.837 -7.480 1.00 0.00 C ATOM 1066 NZ LYS A 68 86.693 -4.455 -8.693 1.00 0.00 N ATOM 0 H LYS A 68 83.940 0.195 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 68 84.245 -1.083 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 68 85.834 -1.051 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.702 -2.030 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.355 -3.544 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.850 -3.805 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.589 -2.570 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.873 -1.777 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.292 -3.445 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.405 -4.566 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 87.440 -4.894 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 86.005 -5.180 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 86.211 -3.723 -9.253 1.00 0.00 H new ATOM 1080 N ASN A 69 82.025 -2.441 -5.031 1.00 0.00 N ATOM 1081 CA ASN A 69 80.896 -3.408 -5.045 1.00 0.00 C ATOM 1082 C ASN A 69 79.749 -2.835 -5.879 1.00 0.00 C ATOM 1083 O ASN A 69 79.255 -3.463 -6.791 1.00 0.00 O ATOM 1084 CB ASN A 69 80.483 -3.554 -3.582 1.00 0.00 C ATOM 1085 CG ASN A 69 81.084 -4.839 -3.010 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.374 -5.671 -2.480 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.370 -5.036 -3.096 1.00 0.00 N ATOM 0 H ASN A 69 82.136 -1.915 -4.164 1.00 0.00 H new ATOM 0 HA ASN A 69 81.166 -4.370 -5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 69 80.825 -2.693 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.396 -3.580 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.782 -5.889 -2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.964 -4.337 -3.541 1.00 0.00 H new ATOM 1094 N LEU A 70 79.330 -1.637 -5.578 1.00 0.00 N ATOM 1095 CA LEU A 70 78.222 -1.019 -6.360 1.00 0.00 C ATOM 1096 C LEU A 70 78.569 -1.025 -7.849 1.00 0.00 C ATOM 1097 O LEU A 70 77.703 -0.963 -8.698 1.00 0.00 O ATOM 1098 CB LEU A 70 78.119 0.415 -5.834 1.00 0.00 C ATOM 1099 CG LEU A 70 77.308 1.265 -6.815 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.714 2.469 -6.080 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.220 1.759 -7.940 1.00 0.00 C ATOM 0 H LEU A 70 79.706 -1.060 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 70 77.281 -1.559 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 70 77.643 0.420 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.115 0.839 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 70 76.504 0.661 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 70 76.137 3.074 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.063 2.121 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.519 3.071 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.642 2.364 -8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 70 79.025 2.361 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.644 0.904 -8.466 1.00 0.00 H new ATOM 1113 N GLU A 71 79.830 -1.096 -8.173 1.00 0.00 N ATOM 1114 CA GLU A 71 80.229 -1.104 -9.610 1.00 0.00 C ATOM 1115 C GLU A 71 80.323 -2.543 -10.129 1.00 0.00 C ATOM 1116 O GLU A 71 79.831 -2.862 -11.192 1.00 0.00 O ATOM 1117 CB GLU A 71 81.603 -0.432 -9.641 1.00 0.00 C ATOM 1118 CG GLU A 71 81.429 1.087 -9.592 1.00 0.00 C ATOM 1119 CD GLU A 71 81.331 1.637 -11.016 1.00 0.00 C ATOM 1120 OE1 GLU A 71 81.899 1.024 -11.906 1.00 0.00 O ATOM 1121 OE2 GLU A 71 80.692 2.661 -11.193 1.00 0.00 O ATOM 0 H GLU A 71 80.601 -1.149 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 71 79.506 -0.588 -10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.203 -0.767 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.139 -0.718 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.531 1.343 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.271 1.543 -9.072 1.00 0.00 H new ATOM 1128 N GLU A 72 80.960 -3.410 -9.390 1.00 0.00 N ATOM 1129 CA GLU A 72 81.097 -4.817 -9.843 1.00 0.00 C ATOM 1130 C GLU A 72 79.991 -5.695 -9.247 1.00 0.00 C ATOM 1131 O GLU A 72 79.990 -6.899 -9.411 1.00 0.00 O ATOM 1132 CB GLU A 72 82.469 -5.262 -9.334 1.00 0.00 C ATOM 1133 CG GLU A 72 82.649 -6.759 -9.593 1.00 0.00 C ATOM 1134 CD GLU A 72 84.102 -7.038 -9.981 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.982 -6.575 -9.275 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.310 -7.710 -10.977 1.00 0.00 O ATOM 0 H GLU A 72 81.392 -3.201 -8.490 1.00 0.00 H new ATOM 0 HA GLU A 72 81.009 -4.906 -10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.255 -4.698 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.558 -5.053 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.384 -7.328 -8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 72 81.980 -7.084 -10.390 1.00 0.00 H new ATOM 1143 N LYS A 73 79.053 -5.109 -8.553 1.00 0.00 N ATOM 1144 CA LYS A 73 77.959 -5.927 -7.951 1.00 0.00 C ATOM 1145 C LYS A 73 76.588 -5.405 -8.395 1.00 0.00 C ATOM 1146 O LYS A 73 75.592 -6.084 -8.263 1.00 0.00 O ATOM 1147 CB LYS A 73 78.126 -5.775 -6.439 1.00 0.00 C ATOM 1148 CG LYS A 73 79.599 -5.949 -6.062 1.00 0.00 C ATOM 1149 CD LYS A 73 80.001 -7.415 -6.235 1.00 0.00 C ATOM 1150 CE LYS A 73 79.971 -8.118 -4.876 1.00 0.00 C ATOM 1151 NZ LYS A 73 81.032 -9.160 -4.957 1.00 0.00 N ATOM 0 H LYS A 73 78.996 -4.106 -8.377 1.00 0.00 H new ATOM 0 HA LYS A 73 78.014 -6.970 -8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.773 -4.794 -6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.518 -6.516 -5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 73 80.223 -5.313 -6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.761 -5.636 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.320 -7.910 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 73 80.999 -7.480 -6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.167 -7.417 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 73 78.995 -8.563 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 81.072 -9.685 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.815 -9.817 -5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 81.951 -8.707 -5.134 1.00 0.00 H new ATOM 1165 N GLN A 74 76.535 -4.203 -8.914 1.00 0.00 N ATOM 1166 CA GLN A 74 75.233 -3.625 -9.368 1.00 0.00 C ATOM 1167 C GLN A 74 74.364 -4.701 -10.020 1.00 0.00 C ATOM 1168 O GLN A 74 74.440 -4.945 -11.208 1.00 0.00 O ATOM 1169 CB GLN A 74 75.610 -2.554 -10.394 1.00 0.00 C ATOM 1170 CG GLN A 74 74.339 -1.887 -10.925 1.00 0.00 C ATOM 1171 CD GLN A 74 73.898 -0.787 -9.957 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.000 -0.983 -9.164 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.496 0.373 -9.991 1.00 0.00 N ATOM 0 H GLN A 74 77.343 -3.594 -9.043 1.00 0.00 H new ATOM 0 HA GLN A 74 74.658 -3.216 -8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 74 76.260 -1.809 -9.936 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.169 -3.003 -11.215 1.00 0.00 H new ATOM 0 HG2 GLN A 74 74.523 -1.465 -11.913 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.547 -2.627 -11.037 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.251 0.538 -10.657 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.209 1.114 -9.352 1.00 0.00 H new ATOM 1182 N GLY A 75 73.542 -5.346 -9.245 1.00 0.00 N ATOM 1183 CA GLY A 75 72.665 -6.413 -9.806 1.00 0.00 C ATOM 1184 C GLY A 75 73.142 -7.776 -9.301 1.00 0.00 C ATOM 1185 O GLY A 75 72.445 -8.463 -8.580 1.00 0.00 O ATOM 0 H GLY A 75 73.438 -5.182 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.630 -6.244 -9.508 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.691 -6.386 -10.895 1.00 0.00 H new ATOM 1189 N ALA A 76 74.329 -8.168 -9.676 1.00 0.00 N ATOM 1190 CA ALA A 76 74.873 -9.483 -9.225 1.00 0.00 C ATOM 1191 C ALA A 76 73.853 -10.601 -9.451 1.00 0.00 C ATOM 1192 O ALA A 76 73.932 -11.650 -8.842 1.00 0.00 O ATOM 1193 CB ALA A 76 75.157 -9.306 -7.734 1.00 0.00 C ATOM 0 H ALA A 76 74.951 -7.630 -10.280 1.00 0.00 H new ATOM 0 HA ALA A 76 75.767 -9.764 -9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 76 75.561 -10.233 -7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.881 -8.503 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.232 -9.055 -7.215 1.00 0.00 H new ATOM 1199 N GLU A 77 72.912 -10.383 -10.331 1.00 0.00 N ATOM 1200 CA GLU A 77 71.875 -11.423 -10.628 1.00 0.00 C ATOM 1201 C GLU A 77 71.576 -12.278 -9.390 1.00 0.00 C ATOM 1202 O GLU A 77 72.143 -13.337 -9.207 1.00 0.00 O ATOM 1203 CB GLU A 77 72.488 -12.285 -11.732 1.00 0.00 C ATOM 1204 CG GLU A 77 71.569 -12.278 -12.955 1.00 0.00 C ATOM 1205 CD GLU A 77 71.614 -13.648 -13.635 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.648 -13.978 -14.191 1.00 0.00 O ATOM 1207 OE2 GLU A 77 70.611 -14.343 -13.589 1.00 0.00 O ATOM 0 H GLU A 77 72.814 -9.519 -10.865 1.00 0.00 H new ATOM 0 HA GLU A 77 70.928 -10.973 -10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.473 -11.903 -12.002 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.629 -13.305 -11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.548 -12.043 -12.655 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.882 -11.503 -13.654 1.00 0.00 H new ATOM 1214 N ILE A 78 70.697 -11.829 -8.536 1.00 0.00 N ATOM 1215 CA ILE A 78 70.376 -12.624 -7.316 1.00 0.00 C ATOM 1216 C ILE A 78 68.867 -12.652 -7.089 1.00 0.00 C ATOM 1217 O ILE A 78 68.120 -11.955 -7.743 1.00 0.00 O ATOM 1218 CB ILE A 78 71.059 -11.893 -6.161 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.455 -11.425 -6.583 1.00 0.00 C ATOM 1220 CG2 ILE A 78 71.184 -12.840 -4.966 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.972 -10.408 -5.567 1.00 0.00 C ATOM 0 H ILE A 78 70.189 -10.950 -8.629 1.00 0.00 H new ATOM 0 HA ILE A 78 70.715 -13.656 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 78 70.460 -11.025 -5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 78 73.134 -12.275 -6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.417 -10.978 -7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.671 -12.321 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 78 70.192 -13.166 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.779 -13.708 -5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.966 -10.071 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.296 -9.554 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 78 73.024 -10.872 -4.582 1.00 0.00 H new ATOM 1233 N ASP A 79 68.414 -13.445 -6.158 1.00 0.00 N ATOM 1234 CA ASP A 79 66.951 -13.512 -5.881 1.00 0.00 C ATOM 1235 C ASP A 79 66.165 -13.489 -7.195 1.00 0.00 C ATOM 1236 O ASP A 79 65.105 -12.904 -7.287 1.00 0.00 O ATOM 1237 CB ASP A 79 66.647 -12.265 -5.052 1.00 0.00 C ATOM 1238 CG ASP A 79 65.615 -12.608 -3.977 1.00 0.00 C ATOM 1239 OD1 ASP A 79 64.474 -12.853 -4.335 1.00 0.00 O ATOM 1240 OD2 ASP A 79 65.981 -12.622 -2.814 1.00 0.00 O ATOM 0 H ASP A 79 68.994 -14.050 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 79 66.670 -14.426 -5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 79 67.560 -11.891 -4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.268 -11.471 -5.695 1.00 0.00 H new ATOM 1245 N GLY A 80 66.680 -14.122 -8.214 1.00 0.00 N ATOM 1246 CA GLY A 80 65.971 -14.135 -9.519 1.00 0.00 C ATOM 1247 C GLY A 80 65.819 -12.704 -10.037 1.00 0.00 C ATOM 1248 O GLY A 80 64.855 -12.372 -10.697 1.00 0.00 O ATOM 0 H GLY A 80 67.564 -14.631 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.526 -14.736 -10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.990 -14.597 -9.407 1.00 0.00 H new ATOM 1252 N ARG A 81 66.765 -11.853 -9.743 1.00 0.00 N ATOM 1253 CA ARG A 81 66.675 -10.442 -10.219 1.00 0.00 C ATOM 1254 C ARG A 81 67.945 -9.676 -9.836 1.00 0.00 C ATOM 1255 O ARG A 81 68.582 -9.968 -8.844 1.00 0.00 O ATOM 1256 CB ARG A 81 65.457 -9.857 -9.505 1.00 0.00 C ATOM 1257 CG ARG A 81 65.589 -10.082 -7.998 1.00 0.00 C ATOM 1258 CD ARG A 81 64.206 -10.342 -7.395 1.00 0.00 C ATOM 1259 NE ARG A 81 63.442 -9.086 -7.632 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.678 -8.977 -8.685 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.619 -9.730 -8.803 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.972 -8.114 -9.618 1.00 0.00 N ATOM 0 H ARG A 81 67.596 -12.074 -9.194 1.00 0.00 H new ATOM 0 HA ARG A 81 66.578 -10.376 -11.303 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.375 -8.791 -9.718 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.546 -10.327 -9.875 1.00 0.00 H new ATOM 0 HG2 ARG A 81 66.247 -10.929 -7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.044 -9.210 -7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.722 -11.195 -7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.275 -10.568 -6.331 1.00 0.00 H new ATOM 0 HE ARG A 81 63.516 -8.312 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 81 61.388 -10.404 -8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.022 -9.645 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 81 63.799 -7.524 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 81 62.375 -8.029 -10.441 1.00 0.00 H new ATOM 1276 N SER A 82 68.320 -8.700 -10.614 1.00 0.00 N ATOM 1277 CA SER A 82 69.550 -7.925 -10.286 1.00 0.00 C ATOM 1278 C SER A 82 69.258 -6.901 -9.186 1.00 0.00 C ATOM 1279 O SER A 82 68.327 -6.126 -9.276 1.00 0.00 O ATOM 1280 CB SER A 82 69.932 -7.219 -11.585 1.00 0.00 C ATOM 1281 OG SER A 82 68.801 -7.173 -12.446 1.00 0.00 O ATOM 0 H SER A 82 67.831 -8.406 -11.459 1.00 0.00 H new ATOM 0 HA SER A 82 70.352 -8.565 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.284 -6.209 -11.374 1.00 0.00 H new ATOM 0 HB3 SER A 82 70.752 -7.747 -12.071 1.00 0.00 H new ATOM 0 HG SER A 82 68.798 -7.964 -13.024 1.00 0.00 H new ATOM 1287 N VAL A 83 70.054 -6.890 -8.153 1.00 0.00 N ATOM 1288 CA VAL A 83 69.832 -5.911 -7.049 1.00 0.00 C ATOM 1289 C VAL A 83 70.566 -4.603 -7.357 1.00 0.00 C ATOM 1290 O VAL A 83 71.650 -4.605 -7.903 1.00 0.00 O ATOM 1291 CB VAL A 83 70.413 -6.577 -5.801 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.849 -7.023 -6.081 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.407 -5.578 -4.644 1.00 0.00 C ATOM 0 H VAL A 83 70.849 -7.516 -8.024 1.00 0.00 H new ATOM 0 HA VAL A 83 68.779 -5.663 -6.918 1.00 0.00 H new ATOM 0 HB VAL A 83 69.809 -7.445 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.263 -7.498 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.855 -7.734 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.455 -6.156 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.821 -6.051 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 83 71.012 -4.711 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.384 -5.259 -4.444 1.00 0.00 H new ATOM 1303 N SER A 84 69.981 -3.489 -7.017 1.00 0.00 N ATOM 1304 CA SER A 84 70.646 -2.184 -7.300 1.00 0.00 C ATOM 1305 C SER A 84 71.514 -1.755 -6.114 1.00 0.00 C ATOM 1306 O SER A 84 71.270 -2.129 -4.985 1.00 0.00 O ATOM 1307 CB SER A 84 69.500 -1.196 -7.508 1.00 0.00 C ATOM 1308 OG SER A 84 68.326 -1.907 -7.874 1.00 0.00 O ATOM 0 H SER A 84 69.073 -3.424 -6.556 1.00 0.00 H new ATOM 0 HA SER A 84 71.305 -2.239 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.325 -0.628 -6.595 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.761 -0.478 -8.285 1.00 0.00 H new ATOM 0 HG SER A 84 68.021 -1.603 -8.754 1.00 0.00 H new ATOM 1314 N LEU A 85 72.523 -0.968 -6.368 1.00 0.00 N ATOM 1315 CA LEU A 85 73.411 -0.504 -5.263 1.00 0.00 C ATOM 1316 C LEU A 85 73.663 1.000 -5.396 1.00 0.00 C ATOM 1317 O LEU A 85 74.368 1.441 -6.282 1.00 0.00 O ATOM 1318 CB LEU A 85 74.713 -1.281 -5.450 1.00 0.00 C ATOM 1319 CG LEU A 85 74.490 -2.750 -5.094 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.501 -3.616 -5.848 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.678 -2.941 -3.587 1.00 0.00 C ATOM 0 H LEU A 85 72.772 -0.625 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 85 72.974 -0.673 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 85 75.055 -1.194 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.494 -0.858 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 85 73.479 -3.044 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.343 -4.664 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.369 -3.478 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.512 -3.323 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.519 -3.988 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 85 75.690 -2.648 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.959 -2.323 -3.049 1.00 0.00 H new ATOM 1333 N TYR A 86 73.087 1.794 -4.536 1.00 0.00 N ATOM 1334 CA TYR A 86 73.293 3.264 -4.634 1.00 0.00 C ATOM 1335 C TYR A 86 73.867 3.829 -3.334 1.00 0.00 C ATOM 1336 O TYR A 86 73.138 4.206 -2.438 1.00 0.00 O ATOM 1337 CB TYR A 86 71.901 3.833 -4.866 1.00 0.00 C ATOM 1338 CG TYR A 86 71.260 3.157 -6.052 1.00 0.00 C ATOM 1339 CD1 TYR A 86 71.915 3.143 -7.288 1.00 0.00 C ATOM 1340 CD2 TYR A 86 70.008 2.548 -5.915 1.00 0.00 C ATOM 1341 CE1 TYR A 86 71.317 2.519 -8.389 1.00 0.00 C ATOM 1342 CE2 TYR A 86 69.409 1.923 -7.014 1.00 0.00 C ATOM 1343 CZ TYR A 86 70.064 1.908 -8.252 1.00 0.00 C ATOM 1344 OH TYR A 86 69.473 1.294 -9.338 1.00 0.00 O ATOM 0 H TYR A 86 72.484 1.488 -3.772 1.00 0.00 H new ATOM 0 HA TYR A 86 73.997 3.518 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 86 71.287 3.687 -3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 86 71.962 4.908 -5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 86 72.882 3.613 -7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.504 2.560 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 86 71.822 2.509 -9.344 1.00 0.00 H new ATOM 0 HE2 TYR A 86 68.443 1.453 -6.908 1.00 0.00 H new ATOM 0 HH TYR A 86 70.157 0.826 -9.861 1.00 0.00 H new ATOM 1354 N TYR A 87 75.162 3.892 -3.218 1.00 0.00 N ATOM 1355 CA TYR A 87 75.767 4.429 -1.998 1.00 0.00 C ATOM 1356 C TYR A 87 75.404 5.903 -1.806 1.00 0.00 C ATOM 1357 O TYR A 87 74.649 6.473 -2.568 1.00 0.00 O ATOM 1358 CB TYR A 87 77.266 4.228 -2.204 1.00 0.00 C ATOM 1359 CG TYR A 87 77.718 4.623 -3.598 1.00 0.00 C ATOM 1360 CD1 TYR A 87 76.956 5.496 -4.388 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.924 4.108 -4.092 1.00 0.00 C ATOM 1362 CE1 TYR A 87 77.403 5.848 -5.669 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.367 4.461 -5.371 1.00 0.00 C ATOM 1364 CZ TYR A 87 78.607 5.331 -6.160 1.00 0.00 C ATOM 1365 OH TYR A 87 79.044 5.679 -7.421 1.00 0.00 O ATOM 0 H TYR A 87 75.824 3.588 -3.932 1.00 0.00 H new ATOM 0 HA TYR A 87 75.412 3.931 -1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 87 77.813 4.817 -1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 87 77.517 3.182 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 87 76.027 5.896 -4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.513 3.437 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 87 76.817 6.520 -6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.296 4.062 -5.750 1.00 0.00 H new ATOM 0 HH TYR A 87 79.897 5.234 -7.606 1.00 0.00 H new ATOM 1375 N THR A 88 75.917 6.516 -0.778 1.00 0.00 N ATOM 1376 CA THR A 88 75.579 7.947 -0.523 1.00 0.00 C ATOM 1377 C THR A 88 76.853 8.793 -0.421 1.00 0.00 C ATOM 1378 O THR A 88 76.961 9.667 0.415 1.00 0.00 O ATOM 1379 CB THR A 88 74.827 7.947 0.813 1.00 0.00 C ATOM 1380 OG1 THR A 88 75.763 7.917 1.880 1.00 0.00 O ATOM 1381 CG2 THR A 88 73.913 6.719 0.898 1.00 0.00 C ATOM 0 H THR A 88 76.554 6.092 -0.104 1.00 0.00 H new ATOM 0 HA THR A 88 74.983 8.375 -1.329 1.00 0.00 H new ATOM 0 HB THR A 88 74.219 8.849 0.884 1.00 0.00 H new ATOM 0 HG1 THR A 88 76.483 7.288 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 88 73.382 6.726 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 88 73.193 6.744 0.080 1.00 0.00 H new ATOM 0 HG23 THR A 88 74.514 5.812 0.824 1.00 0.00 H new