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 180:sc= -2.11! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.059) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0256 USER MOD Single : A 27 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.93) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= -0.0499 (180deg=-0.562) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -106:sc= -0.239 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 180:sc= -0.528 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= -3.64! (180deg=-4.16!) USER MOD Single : A 74 GLN : amide:sc= -0.368 K(o=-0.37,f=-11!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.107 USER MOD Single : A 84 SER OG : rot -150:sc= -2.88! USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -10:sc= -4.1! USER MOD Single : A 88 THR OG1 : rot -59:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 78.972 8.570 4.036 1.00 0.00 N ATOM 229 CA ALA A 15 77.997 7.657 3.375 1.00 0.00 C ATOM 230 C ALA A 15 78.613 7.051 2.109 1.00 0.00 C ATOM 231 O ALA A 15 78.101 6.103 1.550 1.00 0.00 O ATOM 232 CB ALA A 15 76.805 8.544 3.013 1.00 0.00 C ATOM 0 HA ALA A 15 77.709 6.827 4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.041 7.943 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.391 8.985 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.132 9.337 2.341 1.00 0.00 H new ATOM 238 N ALA A 16 79.707 7.599 1.653 1.00 0.00 N ATOM 239 CA ALA A 16 80.355 7.064 0.422 1.00 0.00 C ATOM 240 C ALA A 16 80.701 5.582 0.591 1.00 0.00 C ATOM 241 O ALA A 16 80.670 4.816 -0.351 1.00 0.00 O ATOM 242 CB ALA A 16 81.628 7.895 0.253 1.00 0.00 C ATOM 0 H ALA A 16 80.180 8.395 2.081 1.00 0.00 H new ATOM 0 HA ALA A 16 79.700 7.133 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.165 7.562 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.364 8.947 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.264 7.769 1.130 1.00 0.00 H new ATOM 248 N ARG A 17 81.032 5.173 1.783 1.00 0.00 N ATOM 249 CA ARG A 17 81.381 3.741 2.008 1.00 0.00 C ATOM 250 C ARG A 17 80.118 2.928 2.304 1.00 0.00 C ATOM 251 O ARG A 17 80.176 1.863 2.887 1.00 0.00 O ATOM 252 CB ARG A 17 82.316 3.742 3.217 1.00 0.00 C ATOM 253 CG ARG A 17 81.634 4.438 4.396 1.00 0.00 C ATOM 254 CD ARG A 17 82.522 5.582 4.894 1.00 0.00 C ATOM 255 NE ARG A 17 83.677 4.910 5.552 1.00 0.00 N ATOM 256 CZ ARG A 17 84.887 5.100 5.100 1.00 0.00 C ATOM 257 NH1 ARG A 17 85.228 6.265 4.619 1.00 0.00 N ATOM 258 NH2 ARG A 17 85.755 4.126 5.128 1.00 0.00 N ATOM 0 H ARG A 17 81.076 5.767 2.611 1.00 0.00 H new ATOM 0 HA ARG A 17 81.850 3.290 1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.577 2.719 3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.246 4.253 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.661 4.824 4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.456 3.724 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 17 82.850 6.215 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 17 81.986 6.223 5.594 1.00 0.00 H new ATOM 0 HE ARG A 17 83.523 4.301 6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 17 84.549 7.026 4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 17 86.173 6.414 4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 17 85.488 3.216 5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 17 86.700 4.275 4.775 1.00 0.00 H new ATOM 272 N THR A 18 78.978 3.420 1.904 1.00 0.00 N ATOM 273 CA THR A 18 77.713 2.675 2.161 1.00 0.00 C ATOM 274 C THR A 18 76.671 3.023 1.093 1.00 0.00 C ATOM 275 O THR A 18 76.442 4.178 0.796 1.00 0.00 O ATOM 276 CB THR A 18 77.249 3.154 3.538 1.00 0.00 C ATOM 277 OG1 THR A 18 78.214 2.791 4.516 1.00 0.00 O ATOM 278 CG2 THR A 18 75.904 2.510 3.881 1.00 0.00 C ATOM 0 H THR A 18 78.868 4.306 1.410 1.00 0.00 H new ATOM 0 HA THR A 18 77.853 1.594 2.129 1.00 0.00 H new ATOM 0 HB THR A 18 77.136 4.238 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.918 3.099 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.576 2.853 4.862 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.164 2.792 3.132 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.012 1.425 3.893 1.00 0.00 H new ATOM 286 N LEU A 19 76.028 2.038 0.515 1.00 0.00 N ATOM 287 CA LEU A 19 74.997 2.344 -0.525 1.00 0.00 C ATOM 288 C LEU A 19 73.637 1.829 -0.065 1.00 0.00 C ATOM 289 O LEU A 19 73.510 1.214 0.975 1.00 0.00 O ATOM 290 CB LEU A 19 75.396 1.622 -1.832 1.00 0.00 C ATOM 291 CG LEU A 19 76.894 1.300 -1.897 1.00 0.00 C ATOM 292 CD1 LEU A 19 77.723 2.488 -1.414 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.186 0.069 -1.042 1.00 0.00 C ATOM 0 H LEU A 19 76.170 1.048 0.715 1.00 0.00 H new ATOM 0 HA LEU A 19 74.938 3.420 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 19 74.826 0.697 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 19 75.125 2.246 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 19 77.167 1.095 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.783 2.238 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 19 77.521 3.353 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.458 2.722 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.250 -0.161 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 19 76.901 0.268 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 19 76.615 -0.780 -1.419 1.00 0.00 H new ATOM 305 N LEU A 20 72.619 2.069 -0.839 1.00 0.00 N ATOM 306 CA LEU A 20 71.260 1.588 -0.459 1.00 0.00 C ATOM 307 C LEU A 20 70.782 0.520 -1.450 1.00 0.00 C ATOM 308 O LEU A 20 70.464 0.814 -2.583 1.00 0.00 O ATOM 309 CB LEU A 20 70.366 2.826 -0.531 1.00 0.00 C ATOM 310 CG LEU A 20 69.051 2.549 0.200 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.208 2.894 1.682 1.00 0.00 C ATOM 312 CD2 LEU A 20 67.940 3.409 -0.407 1.00 0.00 C ATOM 0 H LEU A 20 72.667 2.579 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 20 71.244 1.133 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.872 3.680 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.169 3.085 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 20 68.794 1.495 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.271 2.697 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.000 2.283 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.465 3.948 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.002 3.212 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.198 4.463 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 20 67.827 3.165 -1.463 1.00 0.00 H new ATOM 324 N ALA A 21 70.728 -0.716 -1.037 1.00 0.00 N ATOM 325 CA ALA A 21 70.264 -1.784 -1.968 1.00 0.00 C ATOM 326 C ALA A 21 68.808 -1.531 -2.363 1.00 0.00 C ATOM 327 O ALA A 21 68.021 -1.040 -1.580 1.00 0.00 O ATOM 328 CB ALA A 21 70.390 -3.087 -1.180 1.00 0.00 C ATOM 0 H ALA A 21 70.983 -1.032 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 21 70.847 -1.814 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.065 -3.921 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.429 -3.236 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 21 69.765 -3.035 -0.288 1.00 0.00 H new ATOM 334 N LYS A 22 68.444 -1.858 -3.572 1.00 0.00 N ATOM 335 CA LYS A 22 67.040 -1.630 -4.013 1.00 0.00 C ATOM 336 C LYS A 22 66.591 -2.753 -4.947 1.00 0.00 C ATOM 337 O LYS A 22 67.375 -3.586 -5.356 1.00 0.00 O ATOM 338 CB LYS A 22 67.068 -0.295 -4.758 1.00 0.00 C ATOM 339 CG LYS A 22 66.740 0.842 -3.787 1.00 0.00 C ATOM 340 CD LYS A 22 65.413 1.488 -4.188 1.00 0.00 C ATOM 341 CE LYS A 22 65.684 2.835 -4.862 1.00 0.00 C ATOM 342 NZ LYS A 22 64.853 3.814 -4.110 1.00 0.00 N ATOM 0 H LYS A 22 69.058 -2.273 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 22 66.343 -1.614 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.051 -0.135 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.347 -0.308 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 22 66.677 0.458 -2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 22 67.537 1.586 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 22 64.868 0.833 -4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.785 1.629 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 22 66.741 3.095 -4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 22 65.409 2.811 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.985 4.763 -4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.851 3.544 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 65.142 3.819 -3.111 1.00 0.00 H new ATOM 356 N ASN A 23 65.334 -2.783 -5.288 1.00 0.00 N ATOM 357 CA ASN A 23 64.833 -3.854 -6.194 1.00 0.00 C ATOM 358 C ASN A 23 65.074 -5.231 -5.570 1.00 0.00 C ATOM 359 O ASN A 23 64.971 -6.248 -6.228 1.00 0.00 O ATOM 360 CB ASN A 23 65.644 -3.697 -7.481 1.00 0.00 C ATOM 361 CG ASN A 23 64.923 -4.408 -8.627 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.049 -3.843 -9.254 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.256 -5.633 -8.931 1.00 0.00 N ATOM 0 H ASN A 23 64.631 -2.112 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 23 63.761 -3.773 -6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 23 65.771 -2.640 -7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.641 -4.116 -7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.783 -6.116 -9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.990 -6.108 -8.405 1.00 0.00 H new ATOM 370 N LEU A 24 65.388 -5.273 -4.304 1.00 0.00 N ATOM 371 CA LEU A 24 65.629 -6.587 -3.640 1.00 0.00 C ATOM 372 C LEU A 24 64.382 -7.466 -3.769 1.00 0.00 C ATOM 373 O LEU A 24 63.522 -7.220 -4.593 1.00 0.00 O ATOM 374 CB LEU A 24 65.891 -6.254 -2.168 1.00 0.00 C ATOM 375 CG LEU A 24 67.333 -5.788 -1.979 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.692 -4.763 -3.056 1.00 0.00 C ATOM 377 CD2 LEU A 24 67.477 -5.145 -0.598 1.00 0.00 C ATOM 0 H LEU A 24 65.488 -4.456 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 24 66.462 -7.129 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.204 -5.476 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.701 -7.132 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 24 68.004 -6.644 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.722 -4.434 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.587 -5.218 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.024 -3.905 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 24 68.505 -4.810 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 24 66.804 -4.291 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 24 67.225 -5.875 0.171 1.00 0.00 H new ATOM 389 N SER A 25 64.271 -8.481 -2.958 1.00 0.00 N ATOM 390 CA SER A 25 63.073 -9.365 -3.032 1.00 0.00 C ATOM 391 C SER A 25 62.541 -9.640 -1.624 1.00 0.00 C ATOM 392 O SER A 25 63.208 -9.395 -0.640 1.00 0.00 O ATOM 393 CB SER A 25 63.569 -10.656 -3.680 1.00 0.00 C ATOM 394 OG SER A 25 62.572 -11.660 -3.548 1.00 0.00 O ATOM 0 H SER A 25 64.957 -8.737 -2.248 1.00 0.00 H new ATOM 0 HA SER A 25 62.259 -8.915 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.793 -10.485 -4.733 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.495 -10.982 -3.206 1.00 0.00 H new ATOM 0 HG SER A 25 62.886 -12.490 -3.964 1.00 0.00 H new ATOM 400 N PHE A 26 61.343 -10.147 -1.519 1.00 0.00 N ATOM 401 CA PHE A 26 60.775 -10.436 -0.176 1.00 0.00 C ATOM 402 C PHE A 26 61.447 -11.677 0.419 1.00 0.00 C ATOM 403 O PHE A 26 61.245 -12.015 1.569 1.00 0.00 O ATOM 404 CB PHE A 26 59.293 -10.694 -0.437 1.00 0.00 C ATOM 405 CG PHE A 26 58.495 -9.456 -0.098 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.488 -8.367 -0.978 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.762 -9.398 1.094 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.749 -7.220 -0.668 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.023 -8.250 1.404 1.00 0.00 C ATOM 410 CZ PHE A 26 57.016 -7.161 0.523 1.00 0.00 C ATOM 0 H PHE A 26 60.735 -10.373 -2.306 1.00 0.00 H new ATOM 0 HA PHE A 26 60.930 -9.624 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.139 -10.963 -1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 26 58.949 -11.536 0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.054 -8.412 -1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.767 -10.238 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.744 -6.381 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.458 -8.204 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.445 -6.276 0.763 1.00 0.00 H new ATOM 420 N ASN A 27 62.244 -12.358 -0.359 1.00 0.00 N ATOM 421 CA ASN A 27 62.928 -13.575 0.151 1.00 0.00 C ATOM 422 C ASN A 27 64.391 -13.268 0.490 1.00 0.00 C ATOM 423 O ASN A 27 64.911 -13.719 1.490 1.00 0.00 O ATOM 424 CB ASN A 27 62.847 -14.585 -0.995 1.00 0.00 C ATOM 425 CG ASN A 27 63.822 -15.735 -0.732 1.00 0.00 C ATOM 426 OD1 ASN A 27 64.030 -16.124 0.399 1.00 0.00 O ATOM 427 ND2 ASN A 27 64.433 -16.298 -1.739 1.00 0.00 N ATOM 0 H ASN A 27 62.450 -12.121 -1.329 1.00 0.00 H new ATOM 0 HA ASN A 27 62.466 -13.951 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.831 -14.969 -1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.088 -14.099 -1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 27 65.085 -17.065 -1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 27 64.258 -15.971 -2.689 1.00 0.00 H new ATOM 434 N ILE A 28 65.058 -12.506 -0.336 1.00 0.00 N ATOM 435 CA ILE A 28 66.487 -12.177 -0.057 1.00 0.00 C ATOM 436 C ILE A 28 66.676 -11.853 1.425 1.00 0.00 C ATOM 437 O ILE A 28 65.729 -11.578 2.136 1.00 0.00 O ATOM 438 CB ILE A 28 66.791 -10.952 -0.924 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.306 -10.782 -1.056 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.194 -9.699 -0.279 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.857 -11.843 -2.011 1.00 0.00 C ATOM 0 H ILE A 28 64.677 -12.098 -1.190 1.00 0.00 H new ATOM 0 HA ILE A 28 67.154 -13.008 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 28 66.351 -11.094 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.540 -9.785 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.780 -10.876 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.413 -8.830 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.114 -9.816 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.629 -9.557 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.936 -11.722 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.636 -12.836 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.392 -11.728 -2.990 1.00 0.00 H new ATOM 453 N THR A 29 67.889 -11.882 1.899 1.00 0.00 N ATOM 454 CA THR A 29 68.129 -11.575 3.338 1.00 0.00 C ATOM 455 C THR A 29 69.570 -11.104 3.556 1.00 0.00 C ATOM 456 O THR A 29 70.412 -11.217 2.684 1.00 0.00 O ATOM 457 CB THR A 29 67.882 -12.895 4.068 1.00 0.00 C ATOM 458 OG1 THR A 29 68.502 -13.953 3.350 1.00 0.00 O ATOM 459 CG2 THR A 29 66.378 -13.153 4.164 1.00 0.00 C ATOM 0 H THR A 29 68.723 -12.104 1.356 1.00 0.00 H new ATOM 0 HA THR A 29 67.481 -10.777 3.700 1.00 0.00 H new ATOM 0 HB THR A 29 68.303 -12.841 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.347 -14.800 3.817 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.203 -14.094 4.685 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.904 -12.340 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.954 -13.208 3.162 1.00 0.00 H new ATOM 467 N GLU A 30 69.861 -10.581 4.716 1.00 0.00 N ATOM 468 CA GLU A 30 71.247 -10.115 4.988 1.00 0.00 C ATOM 469 C GLU A 30 72.233 -11.213 4.595 1.00 0.00 C ATOM 470 O GLU A 30 73.349 -10.947 4.199 1.00 0.00 O ATOM 471 CB GLU A 30 71.293 -9.856 6.493 1.00 0.00 C ATOM 472 CG GLU A 30 71.683 -8.400 6.748 1.00 0.00 C ATOM 473 CD GLU A 30 73.003 -8.353 7.522 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.157 -9.144 8.438 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.835 -7.527 7.186 1.00 0.00 O ATOM 0 H GLU A 30 69.201 -10.457 5.483 1.00 0.00 H new ATOM 0 HA GLU A 30 71.512 -9.221 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.321 -10.067 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 30 72.012 -10.525 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 30 71.785 -7.869 5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 30 70.899 -7.896 7.314 1.00 0.00 H new ATOM 482 N ASP A 31 71.820 -12.447 4.689 1.00 0.00 N ATOM 483 CA ASP A 31 72.727 -13.564 4.303 1.00 0.00 C ATOM 484 C ASP A 31 73.161 -13.377 2.852 1.00 0.00 C ATOM 485 O ASP A 31 74.330 -13.228 2.552 1.00 0.00 O ATOM 486 CB ASP A 31 71.888 -14.833 4.459 1.00 0.00 C ATOM 487 CG ASP A 31 72.801 -16.059 4.402 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.854 -16.017 5.017 1.00 0.00 O ATOM 489 OD2 ASP A 31 72.432 -17.019 3.746 1.00 0.00 O ATOM 0 H ASP A 31 70.896 -12.730 5.016 1.00 0.00 H new ATOM 0 HA ASP A 31 73.630 -13.608 4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.349 -14.811 5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.140 -14.887 3.668 1.00 0.00 H new ATOM 494 N GLU A 32 72.221 -13.363 1.951 1.00 0.00 N ATOM 495 CA GLU A 32 72.569 -13.162 0.518 1.00 0.00 C ATOM 496 C GLU A 32 73.273 -11.816 0.359 1.00 0.00 C ATOM 497 O GLU A 32 74.214 -11.671 -0.403 1.00 0.00 O ATOM 498 CB GLU A 32 71.232 -13.170 -0.223 1.00 0.00 C ATOM 499 CG GLU A 32 70.536 -14.514 -0.002 1.00 0.00 C ATOM 500 CD GLU A 32 69.311 -14.612 -0.913 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.483 -14.511 -2.117 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.223 -14.787 -0.391 1.00 0.00 O ATOM 0 H GLU A 32 71.227 -13.482 2.144 1.00 0.00 H new ATOM 0 HA GLU A 32 73.239 -13.929 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.600 -12.358 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.393 -13.002 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 32 71.225 -15.331 -0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.235 -14.612 1.041 1.00 0.00 H new ATOM 509 N LEU A 33 72.841 -10.838 1.103 1.00 0.00 N ATOM 510 CA LEU A 33 73.496 -9.509 1.027 1.00 0.00 C ATOM 511 C LEU A 33 74.896 -9.646 1.600 1.00 0.00 C ATOM 512 O LEU A 33 75.821 -8.975 1.194 1.00 0.00 O ATOM 513 CB LEU A 33 72.641 -8.585 1.893 1.00 0.00 C ATOM 514 CG LEU A 33 71.368 -8.206 1.133 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.210 -8.046 2.121 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.592 -6.885 0.395 1.00 0.00 C ATOM 0 H LEU A 33 72.063 -10.904 1.759 1.00 0.00 H new ATOM 0 HA LEU A 33 73.577 -9.120 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.384 -9.081 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.204 -7.688 2.152 1.00 0.00 H new ATOM 0 HG LEU A 33 71.127 -8.990 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.304 -7.776 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.050 -8.986 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.450 -7.262 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.686 -6.613 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.833 -6.103 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.417 -6.997 -0.309 1.00 0.00 H new ATOM 528 N LYS A 34 75.055 -10.540 2.537 1.00 0.00 N ATOM 529 CA LYS A 34 76.392 -10.756 3.132 1.00 0.00 C ATOM 530 C LYS A 34 77.231 -11.585 2.169 1.00 0.00 C ATOM 531 O LYS A 34 78.446 -11.529 2.164 1.00 0.00 O ATOM 532 CB LYS A 34 76.140 -11.517 4.434 1.00 0.00 C ATOM 533 CG LYS A 34 77.389 -11.448 5.316 1.00 0.00 C ATOM 534 CD LYS A 34 77.246 -10.297 6.313 1.00 0.00 C ATOM 535 CE LYS A 34 77.332 -10.845 7.739 1.00 0.00 C ATOM 536 NZ LYS A 34 76.129 -11.709 7.892 1.00 0.00 N ATOM 0 H LYS A 34 74.312 -11.128 2.913 1.00 0.00 H new ATOM 0 HA LYS A 34 76.929 -9.827 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.287 -11.088 4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.891 -12.556 4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.524 -12.390 5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 34 78.275 -11.301 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 34 78.031 -9.559 6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 34 76.293 -9.789 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.249 -11.415 7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 34 77.335 -10.039 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 75.785 -11.655 8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 75.383 -11.383 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 76.377 -12.693 7.666 1.00 0.00 H new ATOM 550 N GLU A 35 76.577 -12.342 1.339 1.00 0.00 N ATOM 551 CA GLU A 35 77.302 -13.173 0.346 1.00 0.00 C ATOM 552 C GLU A 35 77.751 -12.288 -0.813 1.00 0.00 C ATOM 553 O GLU A 35 78.819 -12.460 -1.366 1.00 0.00 O ATOM 554 CB GLU A 35 76.286 -14.214 -0.127 1.00 0.00 C ATOM 555 CG GLU A 35 77.025 -15.461 -0.618 1.00 0.00 C ATOM 556 CD GLU A 35 76.134 -16.690 -0.436 1.00 0.00 C ATOM 557 OE1 GLU A 35 75.899 -17.063 0.702 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.703 -17.239 -1.436 1.00 0.00 O ATOM 0 H GLU A 35 75.561 -12.421 1.306 1.00 0.00 H new ATOM 0 HA GLU A 35 78.191 -13.649 0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.611 -14.475 0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.673 -13.802 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.294 -15.347 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.954 -15.588 -0.063 1.00 0.00 H new ATOM 565 N VAL A 36 76.945 -11.325 -1.171 1.00 0.00 N ATOM 566 CA VAL A 36 77.325 -10.409 -2.278 1.00 0.00 C ATOM 567 C VAL A 36 78.283 -9.348 -1.740 1.00 0.00 C ATOM 568 O VAL A 36 79.193 -8.913 -2.416 1.00 0.00 O ATOM 569 CB VAL A 36 76.010 -9.770 -2.732 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.295 -8.464 -3.481 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.272 -10.732 -3.662 1.00 0.00 C ATOM 0 H VAL A 36 76.039 -11.135 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 36 77.826 -10.919 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 36 75.396 -9.557 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.355 -8.015 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.821 -7.774 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.913 -8.673 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.335 -10.278 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.893 -10.944 -4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 36 75.061 -11.661 -3.132 1.00 0.00 H new ATOM 581 N PHE A 37 78.077 -8.928 -0.522 1.00 0.00 N ATOM 582 CA PHE A 37 78.957 -7.899 0.069 1.00 0.00 C ATOM 583 C PHE A 37 79.966 -8.542 1.023 1.00 0.00 C ATOM 584 O PHE A 37 79.995 -8.247 2.202 1.00 0.00 O ATOM 585 CB PHE A 37 78.004 -6.985 0.829 1.00 0.00 C ATOM 586 CG PHE A 37 77.181 -6.189 -0.153 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.807 -5.289 -1.020 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.791 -6.353 -0.198 1.00 0.00 C ATOM 589 CE1 PHE A 37 77.046 -4.549 -1.933 1.00 0.00 C ATOM 590 CE2 PHE A 37 75.028 -5.614 -1.110 1.00 0.00 C ATOM 591 CZ PHE A 37 75.656 -4.712 -1.978 1.00 0.00 C ATOM 0 H PHE A 37 77.330 -9.260 0.088 1.00 0.00 H new ATOM 0 HA PHE A 37 79.540 -7.363 -0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.352 -7.576 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.567 -6.313 1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.879 -5.164 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.308 -7.050 0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 37 77.531 -3.853 -2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.956 -5.739 -1.144 1.00 0.00 H new ATOM 0 HZ PHE A 37 75.068 -4.142 -2.682 1.00 0.00 H new ATOM 601 N GLU A 38 80.796 -9.419 0.526 1.00 0.00 N ATOM 602 CA GLU A 38 81.801 -10.078 1.409 1.00 0.00 C ATOM 603 C GLU A 38 82.979 -9.133 1.665 1.00 0.00 C ATOM 604 O GLU A 38 83.954 -9.497 2.291 1.00 0.00 O ATOM 605 CB GLU A 38 82.261 -11.313 0.634 1.00 0.00 C ATOM 606 CG GLU A 38 83.057 -10.877 -0.598 1.00 0.00 C ATOM 607 CD GLU A 38 83.559 -12.113 -1.346 1.00 0.00 C ATOM 608 OE1 GLU A 38 82.746 -12.774 -1.971 1.00 0.00 O ATOM 609 OE2 GLU A 38 84.748 -12.380 -1.278 1.00 0.00 O ATOM 0 H GLU A 38 80.822 -9.707 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 38 81.387 -10.340 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.877 -11.947 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.399 -11.907 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.430 -10.272 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 38 83.899 -10.254 -0.298 1.00 0.00 H new ATOM 616 N ASP A 39 82.896 -7.922 1.185 1.00 0.00 N ATOM 617 CA ASP A 39 84.010 -6.956 1.400 1.00 0.00 C ATOM 618 C ASP A 39 83.521 -5.751 2.207 1.00 0.00 C ATOM 619 O ASP A 39 84.301 -4.931 2.647 1.00 0.00 O ATOM 620 CB ASP A 39 84.437 -6.524 -0.002 1.00 0.00 C ATOM 621 CG ASP A 39 85.965 -6.468 -0.077 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.564 -5.973 0.864 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.507 -6.919 -1.071 1.00 0.00 O ATOM 0 H ASP A 39 82.104 -7.560 0.653 1.00 0.00 H new ATOM 0 HA ASP A 39 84.835 -7.398 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 39 84.052 -7.224 -0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 39 84.015 -5.547 -0.237 1.00 0.00 H new ATOM 628 N ALA A 40 82.236 -5.635 2.403 1.00 0.00 N ATOM 629 CA ALA A 40 81.710 -4.478 3.179 1.00 0.00 C ATOM 630 C ALA A 40 81.608 -4.836 4.665 1.00 0.00 C ATOM 631 O ALA A 40 81.865 -5.954 5.063 1.00 0.00 O ATOM 632 CB ALA A 40 80.324 -4.207 2.596 1.00 0.00 C ATOM 0 H ALA A 40 81.531 -6.288 2.061 1.00 0.00 H new ATOM 0 HA ALA A 40 82.360 -3.606 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.868 -3.365 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.415 -3.972 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.698 -5.091 2.719 1.00 0.00 H new ATOM 638 N LEU A 41 81.233 -3.893 5.488 1.00 0.00 N ATOM 639 CA LEU A 41 81.114 -4.177 6.942 1.00 0.00 C ATOM 640 C LEU A 41 79.860 -5.005 7.209 1.00 0.00 C ATOM 641 O LEU A 41 79.883 -5.978 7.935 1.00 0.00 O ATOM 642 CB LEU A 41 80.982 -2.809 7.608 1.00 0.00 C ATOM 643 CG LEU A 41 82.211 -1.962 7.294 1.00 0.00 C ATOM 644 CD1 LEU A 41 81.941 -0.512 7.696 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.408 -2.499 8.080 1.00 0.00 C ATOM 0 H LEU A 41 81.004 -2.938 5.213 1.00 0.00 H new ATOM 0 HA LEU A 41 81.968 -4.738 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.082 -2.307 7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 41 80.876 -2.928 8.686 1.00 0.00 H new ATOM 0 HG LEU A 41 82.428 -2.008 6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.817 0.097 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.085 -0.133 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 41 81.728 -0.464 8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.289 -1.896 7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.194 -2.450 9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.596 -3.534 7.795 1.00 0.00 H new ATOM 657 N GLU A 42 78.763 -4.612 6.630 1.00 0.00 N ATOM 658 CA GLU A 42 77.496 -5.361 6.849 1.00 0.00 C ATOM 659 C GLU A 42 76.374 -4.758 6.006 1.00 0.00 C ATOM 660 O GLU A 42 76.498 -3.672 5.471 1.00 0.00 O ATOM 661 CB GLU A 42 77.199 -5.200 8.341 1.00 0.00 C ATOM 662 CG GLU A 42 76.808 -3.751 8.633 1.00 0.00 C ATOM 663 CD GLU A 42 76.169 -3.664 10.020 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.877 -3.877 10.991 1.00 0.00 O ATOM 665 OE2 GLU A 42 74.984 -3.385 10.089 1.00 0.00 O ATOM 0 H GLU A 42 78.688 -3.803 6.013 1.00 0.00 H new ATOM 0 HA GLU A 42 77.577 -6.409 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.393 -5.871 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 42 78.075 -5.476 8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.688 -3.109 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 42 76.110 -3.392 7.876 1.00 0.00 H new ATOM 672 N ILE A 43 75.282 -5.456 5.880 1.00 0.00 N ATOM 673 CA ILE A 43 74.154 -4.928 5.066 1.00 0.00 C ATOM 674 C ILE A 43 72.906 -4.745 5.933 1.00 0.00 C ATOM 675 O ILE A 43 72.716 -5.419 6.926 1.00 0.00 O ATOM 676 CB ILE A 43 73.912 -5.990 3.994 1.00 0.00 C ATOM 677 CG1 ILE A 43 74.976 -5.860 2.903 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.524 -5.799 3.375 1.00 0.00 C ATOM 679 CD1 ILE A 43 76.206 -6.682 3.289 1.00 0.00 C ATOM 0 H ILE A 43 75.122 -6.369 6.305 1.00 0.00 H new ATOM 0 HA ILE A 43 74.380 -3.953 4.634 1.00 0.00 H new ATOM 0 HB ILE A 43 73.969 -6.979 4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.578 -6.207 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.251 -4.814 2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.358 -6.559 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.764 -5.892 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.461 -4.810 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.964 -6.589 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.608 -6.314 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.924 -7.729 3.398 1.00 0.00 H new ATOM 691 N ARG A 44 72.052 -3.843 5.547 1.00 0.00 N ATOM 692 CA ARG A 44 70.803 -3.603 6.318 1.00 0.00 C ATOM 693 C ARG A 44 69.598 -3.761 5.388 1.00 0.00 C ATOM 694 O ARG A 44 69.744 -3.820 4.183 1.00 0.00 O ATOM 695 CB ARG A 44 70.919 -2.164 6.822 1.00 0.00 C ATOM 696 CG ARG A 44 71.470 -2.168 8.248 1.00 0.00 C ATOM 697 CD ARG A 44 70.343 -1.850 9.233 1.00 0.00 C ATOM 698 NE ARG A 44 70.700 -2.586 10.478 1.00 0.00 N ATOM 699 CZ ARG A 44 69.760 -3.006 11.279 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.906 -2.159 11.783 1.00 0.00 N ATOM 701 NH2 ARG A 44 69.676 -4.273 11.579 1.00 0.00 N ATOM 0 H ARG A 44 72.167 -3.255 4.721 1.00 0.00 H new ATOM 0 HA ARG A 44 70.670 -4.303 7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.576 -1.590 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.943 -1.679 6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.905 -3.141 8.478 1.00 0.00 H new ATOM 0 HG3 ARG A 44 72.268 -1.432 8.343 1.00 0.00 H new ATOM 0 HD2 ARG A 44 70.269 -0.778 9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.377 -2.175 8.846 1.00 0.00 H new ATOM 0 HE ARG A 44 71.679 -2.761 10.704 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.973 -1.168 11.551 1.00 0.00 H new ATOM 0 HH12 ARG A 44 68.171 -2.488 12.409 1.00 0.00 H new ATOM 0 HH21 ARG A 44 70.345 -4.935 11.187 1.00 0.00 H new ATOM 0 HH22 ARG A 44 68.941 -4.601 12.205 1.00 0.00 H new ATOM 715 N LEU A 45 68.413 -3.831 5.924 1.00 0.00 N ATOM 716 CA LEU A 45 67.220 -3.990 5.047 1.00 0.00 C ATOM 717 C LEU A 45 66.361 -2.726 5.073 1.00 0.00 C ATOM 718 O LEU A 45 66.451 -1.918 5.976 1.00 0.00 O ATOM 719 CB LEU A 45 66.451 -5.173 5.634 1.00 0.00 C ATOM 720 CG LEU A 45 66.431 -6.321 4.624 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.470 -7.407 5.107 1.00 0.00 C ATOM 722 CD2 LEU A 45 65.960 -5.795 3.266 1.00 0.00 C ATOM 0 H LEU A 45 68.219 -3.785 6.924 1.00 0.00 H new ATOM 0 HA LEU A 45 67.498 -4.158 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.919 -5.500 6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.432 -4.873 5.879 1.00 0.00 H new ATOM 0 HG LEU A 45 67.434 -6.738 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.455 -8.226 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 45 65.801 -7.781 6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.468 -6.990 5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 45 65.945 -6.612 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 45 64.957 -5.380 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.642 -5.018 2.920 1.00 0.00 H new ATOM 734 N VAL A 46 65.528 -2.550 4.085 1.00 0.00 N ATOM 735 CA VAL A 46 64.663 -1.342 4.049 1.00 0.00 C ATOM 736 C VAL A 46 63.394 -1.617 3.231 1.00 0.00 C ATOM 737 O VAL A 46 63.440 -2.151 2.127 1.00 0.00 O ATOM 738 CB VAL A 46 65.520 -0.258 3.394 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.672 0.991 3.156 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.688 0.089 4.322 1.00 0.00 C ATOM 0 H VAL A 46 65.410 -3.192 3.301 1.00 0.00 H new ATOM 0 HA VAL A 46 64.329 -1.042 5.042 1.00 0.00 H new ATOM 0 HB VAL A 46 65.903 -0.622 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.284 1.763 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.837 0.744 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.290 1.358 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.303 0.862 3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.301 0.454 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.293 -0.801 4.494 1.00 0.00 H new ATOM 750 N SER A 47 62.261 -1.261 3.781 1.00 0.00 N ATOM 751 CA SER A 47 60.967 -1.491 3.081 1.00 0.00 C ATOM 752 C SER A 47 60.151 -0.198 3.035 1.00 0.00 C ATOM 753 O SER A 47 60.691 0.890 3.075 1.00 0.00 O ATOM 754 CB SER A 47 60.253 -2.543 3.927 1.00 0.00 C ATOM 755 OG SER A 47 59.592 -1.905 5.012 1.00 0.00 O ATOM 0 H SER A 47 62.180 -0.816 4.695 1.00 0.00 H new ATOM 0 HA SER A 47 61.104 -1.814 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.533 -3.088 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.971 -3.273 4.302 1.00 0.00 H new ATOM 0 HG SER A 47 59.131 -2.578 5.556 1.00 0.00 H new ATOM 819 N SER A 52 58.089 -5.123 3.330 1.00 0.00 N ATOM 820 CA SER A 52 59.310 -5.228 2.481 1.00 0.00 C ATOM 821 C SER A 52 59.085 -4.559 1.128 1.00 0.00 C ATOM 822 O SER A 52 58.133 -4.841 0.426 1.00 0.00 O ATOM 823 CB SER A 52 59.554 -6.722 2.313 1.00 0.00 C ATOM 824 OG SER A 52 59.745 -7.024 0.937 1.00 0.00 O ATOM 0 HA SER A 52 60.165 -4.727 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 52 60.430 -7.024 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.707 -7.285 2.705 1.00 0.00 H new ATOM 0 HG SER A 52 58.946 -7.469 0.586 1.00 0.00 H new ATOM 830 N LYS A 53 59.963 -3.675 0.764 1.00 0.00 N ATOM 831 CA LYS A 53 59.828 -2.970 -0.538 1.00 0.00 C ATOM 832 C LYS A 53 60.991 -3.350 -1.447 1.00 0.00 C ATOM 833 O LYS A 53 60.982 -3.089 -2.633 1.00 0.00 O ATOM 834 CB LYS A 53 59.877 -1.480 -0.194 1.00 0.00 C ATOM 835 CG LYS A 53 59.725 -0.657 -1.475 1.00 0.00 C ATOM 836 CD LYS A 53 58.507 -1.152 -2.258 1.00 0.00 C ATOM 837 CE LYS A 53 58.108 -0.103 -3.298 1.00 0.00 C ATOM 838 NZ LYS A 53 58.811 -0.513 -4.544 1.00 0.00 N ATOM 0 H LYS A 53 60.777 -3.407 1.317 1.00 0.00 H new ATOM 0 HA LYS A 53 58.908 -3.230 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.081 -1.231 0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 53 60.820 -1.240 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 53 59.609 0.399 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 53 60.624 -0.745 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 53 58.737 -2.097 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 53 57.676 -1.340 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 53 57.028 -0.081 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 53 58.408 0.897 -2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 58.587 0.159 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 59.838 -0.518 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 58.500 -1.466 -4.820 1.00 0.00 H new ATOM 852 N GLY A 54 61.990 -3.974 -0.895 1.00 0.00 N ATOM 853 CA GLY A 54 63.152 -4.384 -1.716 1.00 0.00 C ATOM 854 C GLY A 54 64.303 -3.394 -1.520 1.00 0.00 C ATOM 855 O GLY A 54 65.097 -3.175 -2.414 1.00 0.00 O ATOM 0 H GLY A 54 62.049 -4.217 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.472 -5.387 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.869 -4.423 -2.768 1.00 0.00 H new ATOM 859 N ILE A 55 64.414 -2.792 -0.364 1.00 0.00 N ATOM 860 CA ILE A 55 65.531 -1.830 -0.148 1.00 0.00 C ATOM 861 C ILE A 55 66.442 -2.331 0.976 1.00 0.00 C ATOM 862 O ILE A 55 66.041 -3.126 1.801 1.00 0.00 O ATOM 863 CB ILE A 55 64.855 -0.514 0.240 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.669 -0.255 -0.693 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.860 0.632 0.111 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.044 1.101 -0.361 1.00 0.00 C ATOM 0 H ILE A 55 63.787 -2.924 0.430 1.00 0.00 H new ATOM 0 HA ILE A 55 66.157 -1.712 -1.032 1.00 0.00 H new ATOM 0 HB ILE A 55 64.503 -0.577 1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.000 -0.270 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 55 62.927 -1.046 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.379 1.570 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.707 0.450 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.211 0.694 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.200 1.285 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.698 1.099 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.788 1.887 -0.493 1.00 0.00 H new ATOM 878 N ALA A 56 67.666 -1.880 1.012 1.00 0.00 N ATOM 879 CA ALA A 56 68.595 -2.335 2.084 1.00 0.00 C ATOM 880 C ALA A 56 69.755 -1.347 2.223 1.00 0.00 C ATOM 881 O ALA A 56 70.077 -0.622 1.303 1.00 0.00 O ATOM 882 CB ALA A 56 69.105 -3.699 1.617 1.00 0.00 C ATOM 0 H ALA A 56 68.062 -1.217 0.346 1.00 0.00 H new ATOM 0 HA ALA A 56 68.108 -2.397 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.798 -4.101 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.263 -4.381 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.618 -3.588 0.662 1.00 0.00 H new ATOM 888 N TYR A 57 70.386 -1.311 3.364 1.00 0.00 N ATOM 889 CA TYR A 57 71.524 -0.367 3.552 1.00 0.00 C ATOM 890 C TYR A 57 72.844 -1.138 3.601 1.00 0.00 C ATOM 891 O TYR A 57 73.086 -1.917 4.501 1.00 0.00 O ATOM 892 CB TYR A 57 71.252 0.322 4.890 1.00 0.00 C ATOM 893 CG TYR A 57 70.989 1.791 4.656 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.062 2.672 4.473 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.675 2.270 4.619 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.818 4.034 4.253 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.432 3.631 4.400 1.00 0.00 C ATOM 898 CZ TYR A 57 70.503 4.514 4.217 1.00 0.00 C ATOM 899 OH TYR A 57 70.265 5.855 4.001 1.00 0.00 O ATOM 0 H TYR A 57 70.164 -1.892 4.172 1.00 0.00 H new ATOM 0 HA TYR A 57 71.606 0.351 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.394 -0.138 5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.106 0.196 5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.076 2.302 4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.848 1.590 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.645 4.714 4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.417 4.000 4.372 1.00 0.00 H new ATOM 0 HH TYR A 57 69.299 6.021 4.005 1.00 0.00 H new ATOM 909 N ILE A 58 73.703 -0.922 2.645 1.00 0.00 N ATOM 910 CA ILE A 58 75.011 -1.643 2.644 1.00 0.00 C ATOM 911 C ILE A 58 76.109 -0.702 3.134 1.00 0.00 C ATOM 912 O ILE A 58 76.324 0.349 2.567 1.00 0.00 O ATOM 913 CB ILE A 58 75.290 -2.043 1.187 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.984 -2.234 0.409 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.073 -3.355 1.166 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.177 -3.359 1.047 1.00 0.00 C ATOM 0 H ILE A 58 73.559 -0.280 1.866 1.00 0.00 H new ATOM 0 HA ILE A 58 74.985 -2.516 3.296 1.00 0.00 H new ATOM 0 HB ILE A 58 75.865 -1.246 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.407 -1.310 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.199 -2.471 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.273 -3.643 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.017 -3.224 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.489 -4.135 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.247 -3.497 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.756 -4.282 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 58 72.951 -3.103 2.082 1.00 0.00 H new ATOM 928 N GLU A 59 76.812 -1.067 4.170 1.00 0.00 N ATOM 929 CA GLU A 59 77.897 -0.180 4.674 1.00 0.00 C ATOM 930 C GLU A 59 79.250 -0.874 4.511 1.00 0.00 C ATOM 931 O GLU A 59 79.600 -1.762 5.266 1.00 0.00 O ATOM 932 CB GLU A 59 77.582 0.069 6.155 1.00 0.00 C ATOM 933 CG GLU A 59 76.963 -1.181 6.790 1.00 0.00 C ATOM 934 CD GLU A 59 76.807 -0.963 8.296 1.00 0.00 C ATOM 935 OE1 GLU A 59 77.807 -1.035 8.992 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.691 -0.727 8.728 1.00 0.00 O ATOM 0 H GLU A 59 76.683 -1.937 4.687 1.00 0.00 H new ATOM 0 HA GLU A 59 77.949 0.759 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.494 0.340 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 59 76.896 0.910 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.993 -1.389 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.595 -2.049 6.601 1.00 0.00 H new ATOM 943 N PHE A 60 80.010 -0.481 3.525 1.00 0.00 N ATOM 944 CA PHE A 60 81.336 -1.122 3.307 1.00 0.00 C ATOM 945 C PHE A 60 82.345 -0.637 4.343 1.00 0.00 C ATOM 946 O PHE A 60 82.031 0.143 5.219 1.00 0.00 O ATOM 947 CB PHE A 60 81.779 -0.682 1.915 1.00 0.00 C ATOM 948 CG PHE A 60 81.059 -1.493 0.866 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.672 -1.380 0.722 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.782 -2.353 0.032 1.00 0.00 C ATOM 951 CE1 PHE A 60 79.007 -2.129 -0.256 1.00 0.00 C ATOM 952 CE2 PHE A 60 81.118 -3.099 -0.947 1.00 0.00 C ATOM 953 CZ PHE A 60 79.731 -2.988 -1.091 1.00 0.00 C ATOM 0 H PHE A 60 79.769 0.256 2.862 1.00 0.00 H new ATOM 0 HA PHE A 60 81.272 -2.206 3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.568 0.378 1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.856 -0.810 1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.115 -0.715 1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.853 -2.441 0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.936 -2.044 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 60 81.676 -3.761 -1.592 1.00 0.00 H new ATOM 0 HZ PHE A 60 79.219 -3.565 -1.847 1.00 0.00 H new ATOM 963 N LYS A 61 83.562 -1.086 4.233 1.00 0.00 N ATOM 964 CA LYS A 61 84.611 -0.647 5.195 1.00 0.00 C ATOM 965 C LYS A 61 85.371 0.544 4.609 1.00 0.00 C ATOM 966 O LYS A 61 86.107 1.226 5.294 1.00 0.00 O ATOM 967 CB LYS A 61 85.537 -1.853 5.354 1.00 0.00 C ATOM 968 CG LYS A 61 86.567 -1.565 6.448 1.00 0.00 C ATOM 969 CD LYS A 61 87.854 -2.337 6.153 1.00 0.00 C ATOM 970 CE LYS A 61 88.034 -3.445 7.192 1.00 0.00 C ATOM 971 NZ LYS A 61 88.257 -4.685 6.396 1.00 0.00 N ATOM 0 H LYS A 61 83.878 -1.740 3.517 1.00 0.00 H new ATOM 0 HA LYS A 61 84.198 -0.331 6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 61 84.957 -2.739 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.042 -2.064 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 61 86.774 -0.496 6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.171 -1.856 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.812 -2.766 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.709 -1.661 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.880 -3.239 7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 61 87.154 -3.537 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 88.389 -5.491 7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 87.432 -4.860 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.105 -4.571 5.805 1.00 0.00 H new ATOM 985 N SER A 62 85.192 0.796 3.341 1.00 0.00 N ATOM 986 CA SER A 62 85.895 1.941 2.696 1.00 0.00 C ATOM 987 C SER A 62 85.118 2.405 1.460 1.00 0.00 C ATOM 988 O SER A 62 84.503 1.615 0.766 1.00 0.00 O ATOM 989 CB SER A 62 87.267 1.395 2.294 1.00 0.00 C ATOM 990 OG SER A 62 87.481 0.140 2.926 1.00 0.00 O ATOM 0 H SER A 62 84.587 0.256 2.722 1.00 0.00 H new ATOM 0 HA SER A 62 85.981 2.800 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.323 1.283 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 62 88.049 2.098 2.583 1.00 0.00 H new ATOM 0 HG SER A 62 88.359 -0.211 2.668 1.00 0.00 H new ATOM 996 N GLU A 63 85.139 3.679 1.180 1.00 0.00 N ATOM 997 CA GLU A 63 84.403 4.191 -0.010 1.00 0.00 C ATOM 998 C GLU A 63 84.793 3.387 -1.252 1.00 0.00 C ATOM 999 O GLU A 63 83.954 2.993 -2.037 1.00 0.00 O ATOM 1000 CB GLU A 63 84.842 5.649 -0.152 1.00 0.00 C ATOM 1001 CG GLU A 63 84.464 6.164 -1.543 1.00 0.00 C ATOM 1002 CD GLU A 63 84.272 7.680 -1.491 1.00 0.00 C ATOM 1003 OE1 GLU A 63 84.355 8.231 -0.406 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.046 8.266 -2.538 1.00 0.00 O ATOM 0 H GLU A 63 85.633 4.387 1.723 1.00 0.00 H new ATOM 0 HA GLU A 63 83.322 4.103 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.366 6.259 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.918 5.732 -0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 63 85.244 5.910 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.548 5.682 -1.884 1.00 0.00 H new ATOM 1011 N ALA A 64 86.061 3.138 -1.435 1.00 0.00 N ATOM 1012 CA ALA A 64 86.499 2.359 -2.622 1.00 0.00 C ATOM 1013 C ALA A 64 85.872 0.966 -2.585 1.00 0.00 C ATOM 1014 O ALA A 64 85.550 0.391 -3.605 1.00 0.00 O ATOM 1015 CB ALA A 64 88.021 2.271 -2.507 1.00 0.00 C ATOM 0 H ALA A 64 86.810 3.441 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 64 86.196 2.824 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.418 1.708 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.445 3.275 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.287 1.767 -1.578 1.00 0.00 H new ATOM 1021 N ASP A 65 85.677 0.428 -1.413 1.00 0.00 N ATOM 1022 CA ASP A 65 85.050 -0.917 -1.315 1.00 0.00 C ATOM 1023 C ASP A 65 83.583 -0.803 -1.721 1.00 0.00 C ATOM 1024 O ASP A 65 83.118 -1.479 -2.619 1.00 0.00 O ATOM 1025 CB ASP A 65 85.181 -1.316 0.156 1.00 0.00 C ATOM 1026 CG ASP A 65 85.706 -2.749 0.252 1.00 0.00 C ATOM 1027 OD1 ASP A 65 86.421 -3.159 -0.646 1.00 0.00 O ATOM 1028 OD2 ASP A 65 85.384 -3.413 1.225 1.00 0.00 O ATOM 0 H ASP A 65 85.924 0.861 -0.523 1.00 0.00 H new ATOM 0 HA ASP A 65 85.518 -1.657 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.859 -0.634 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.214 -1.238 0.652 1.00 0.00 H new ATOM 1033 N ALA A 66 82.855 0.069 -1.077 1.00 0.00 N ATOM 1034 CA ALA A 66 81.421 0.249 -1.440 1.00 0.00 C ATOM 1035 C ALA A 66 81.318 0.743 -2.885 1.00 0.00 C ATOM 1036 O ALA A 66 80.452 0.332 -3.634 1.00 0.00 O ATOM 1037 CB ALA A 66 80.892 1.305 -0.469 1.00 0.00 C ATOM 0 H ALA A 66 83.190 0.662 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 66 80.851 -0.678 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.838 1.493 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.004 0.947 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.456 2.229 -0.594 1.00 0.00 H new ATOM 1043 N GLU A 67 82.203 1.618 -3.288 1.00 0.00 N ATOM 1044 CA GLU A 67 82.160 2.129 -4.683 1.00 0.00 C ATOM 1045 C GLU A 67 82.555 1.016 -5.655 1.00 0.00 C ATOM 1046 O GLU A 67 81.974 0.862 -6.713 1.00 0.00 O ATOM 1047 CB GLU A 67 83.182 3.267 -4.722 1.00 0.00 C ATOM 1048 CG GLU A 67 83.407 3.705 -6.171 1.00 0.00 C ATOM 1049 CD GLU A 67 84.908 3.741 -6.466 1.00 0.00 C ATOM 1050 OE1 GLU A 67 85.587 2.795 -6.101 1.00 0.00 O ATOM 1051 OE2 GLU A 67 85.353 4.713 -7.053 1.00 0.00 O ATOM 0 H GLU A 67 82.952 1.998 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 67 81.166 2.470 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.827 4.109 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.123 2.940 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 67 82.908 3.016 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.969 4.689 -6.337 1.00 0.00 H new ATOM 1058 N LYS A 68 83.530 0.227 -5.295 1.00 0.00 N ATOM 1059 CA LYS A 68 83.952 -0.883 -6.189 1.00 0.00 C ATOM 1060 C LYS A 68 82.785 -1.848 -6.365 1.00 0.00 C ATOM 1061 O LYS A 68 82.434 -2.222 -7.465 1.00 0.00 O ATOM 1062 CB LYS A 68 85.112 -1.563 -5.462 1.00 0.00 C ATOM 1063 CG LYS A 68 85.527 -2.822 -6.226 1.00 0.00 C ATOM 1064 CD LYS A 68 86.590 -2.461 -7.266 1.00 0.00 C ATOM 1065 CE LYS A 68 87.914 -3.134 -6.896 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.012 -4.313 -7.801 1.00 0.00 N ATOM 0 H LYS A 68 84.051 0.304 -4.421 1.00 0.00 H new ATOM 0 HA LYS A 68 84.251 -0.542 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 68 85.956 -0.878 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.816 -1.823 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 68 85.919 -3.568 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.660 -3.266 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 68 86.270 -2.784 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.719 -1.380 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.755 -2.456 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.924 -3.438 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 88.895 -4.827 -7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.202 -4.944 -7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 88.008 -3.993 -8.790 1.00 0.00 H new ATOM 1080 N ASN A 69 82.167 -2.236 -5.286 1.00 0.00 N ATOM 1081 CA ASN A 69 81.008 -3.161 -5.390 1.00 0.00 C ATOM 1082 C ASN A 69 79.875 -2.471 -6.151 1.00 0.00 C ATOM 1083 O ASN A 69 79.193 -3.073 -6.956 1.00 0.00 O ATOM 1084 CB ASN A 69 80.596 -3.446 -3.947 1.00 0.00 C ATOM 1085 CG ASN A 69 81.046 -4.856 -3.559 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.237 -5.683 -3.186 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.310 -5.165 -3.631 1.00 0.00 N ATOM 0 H ASN A 69 82.414 -1.953 -4.338 1.00 0.00 H new ATOM 0 HA ASN A 69 81.247 -4.080 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.044 -2.712 -3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.515 -3.355 -3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.621 -6.102 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.988 -4.470 -3.944 1.00 0.00 H new ATOM 1094 N LEU A 70 79.681 -1.204 -5.905 1.00 0.00 N ATOM 1095 CA LEU A 70 78.603 -0.461 -6.617 1.00 0.00 C ATOM 1096 C LEU A 70 78.875 -0.463 -8.122 1.00 0.00 C ATOM 1097 O LEU A 70 77.971 -0.561 -8.928 1.00 0.00 O ATOM 1098 CB LEU A 70 78.675 0.964 -6.061 1.00 0.00 C ATOM 1099 CG LEU A 70 77.348 1.689 -6.302 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.888 1.464 -7.743 1.00 0.00 C ATOM 1101 CD2 LEU A 70 76.287 1.148 -5.342 1.00 0.00 C ATOM 0 H LEU A 70 80.223 -0.651 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 70 77.620 -0.908 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.895 0.936 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.489 1.509 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 70 77.488 2.756 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.943 1.982 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 70 77.640 1.852 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.752 0.397 -7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 70 75.343 1.665 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 70 76.153 0.080 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 70 76.609 1.313 -4.314 1.00 0.00 H new ATOM 1113 N GLU A 71 80.114 -0.343 -8.506 1.00 0.00 N ATOM 1114 CA GLU A 71 80.449 -0.323 -9.956 1.00 0.00 C ATOM 1115 C GLU A 71 80.970 -1.695 -10.413 1.00 0.00 C ATOM 1116 O GLU A 71 81.267 -1.894 -11.573 1.00 0.00 O ATOM 1117 CB GLU A 71 81.534 0.755 -10.069 1.00 0.00 C ATOM 1118 CG GLU A 71 82.441 0.478 -11.270 1.00 0.00 C ATOM 1119 CD GLU A 71 81.644 0.645 -12.565 1.00 0.00 C ATOM 1120 OE1 GLU A 71 80.426 0.638 -12.493 1.00 0.00 O ATOM 1121 OE2 GLU A 71 82.265 0.777 -13.607 1.00 0.00 O ATOM 0 H GLU A 71 80.912 -0.258 -7.876 1.00 0.00 H new ATOM 0 HA GLU A 71 79.587 -0.110 -10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.071 1.736 -10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.128 0.779 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.290 1.162 -11.263 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.845 -0.532 -11.208 1.00 0.00 H new ATOM 1128 N GLU A 72 81.093 -2.639 -9.518 1.00 0.00 N ATOM 1129 CA GLU A 72 81.603 -3.973 -9.920 1.00 0.00 C ATOM 1130 C GLU A 72 80.503 -5.036 -9.833 1.00 0.00 C ATOM 1131 O GLU A 72 80.636 -6.118 -10.370 1.00 0.00 O ATOM 1132 CB GLU A 72 82.731 -4.289 -8.940 1.00 0.00 C ATOM 1133 CG GLU A 72 83.503 -5.516 -9.427 1.00 0.00 C ATOM 1134 CD GLU A 72 82.971 -6.767 -8.727 1.00 0.00 C ATOM 1135 OE1 GLU A 72 81.968 -6.657 -8.042 1.00 0.00 O ATOM 1136 OE2 GLU A 72 83.576 -7.814 -8.885 1.00 0.00 O ATOM 0 H GLU A 72 80.862 -2.540 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 72 81.948 -3.971 -10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.402 -3.435 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.322 -4.474 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.398 -5.619 -10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 72 84.566 -5.395 -9.220 1.00 0.00 H new ATOM 1143 N LYS A 73 79.420 -4.750 -9.163 1.00 0.00 N ATOM 1144 CA LYS A 73 78.334 -5.764 -9.055 1.00 0.00 C ATOM 1145 C LYS A 73 77.013 -5.179 -9.550 1.00 0.00 C ATOM 1146 O LYS A 73 76.487 -5.582 -10.568 1.00 0.00 O ATOM 1147 CB LYS A 73 78.249 -6.095 -7.565 1.00 0.00 C ATOM 1148 CG LYS A 73 77.133 -7.114 -7.333 1.00 0.00 C ATOM 1149 CD LYS A 73 75.816 -6.379 -7.071 1.00 0.00 C ATOM 1150 CE LYS A 73 75.184 -6.906 -5.781 1.00 0.00 C ATOM 1151 NZ LYS A 73 75.731 -6.038 -4.703 1.00 0.00 N ATOM 0 H LYS A 73 79.241 -3.865 -8.689 1.00 0.00 H new ATOM 0 HA LYS A 73 78.534 -6.649 -9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 73 79.201 -6.496 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 73 78.054 -5.189 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.032 -7.763 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.380 -7.753 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 73 75.996 -5.307 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 73 75.134 -6.524 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 73 74.096 -6.847 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 73 75.441 -7.952 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 75.232 -6.235 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 76.745 -6.232 -4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 75.598 -5.039 -4.961 1.00 0.00 H new ATOM 1165 N GLN A 74 76.484 -4.225 -8.834 1.00 0.00 N ATOM 1166 CA GLN A 74 75.192 -3.592 -9.243 1.00 0.00 C ATOM 1167 C GLN A 74 74.249 -4.631 -9.863 1.00 0.00 C ATOM 1168 O GLN A 74 74.306 -4.902 -11.046 1.00 0.00 O ATOM 1169 CB GLN A 74 75.581 -2.538 -10.280 1.00 0.00 C ATOM 1170 CG GLN A 74 74.318 -1.921 -10.881 1.00 0.00 C ATOM 1171 CD GLN A 74 73.802 -0.815 -9.959 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.349 -1.082 -8.865 1.00 0.00 O ATOM 1173 NE2 GLN A 74 73.853 0.426 -10.358 1.00 0.00 N ATOM 0 H GLN A 74 76.892 -3.852 -7.977 1.00 0.00 H new ATOM 0 HA GLN A 74 74.663 -3.160 -8.393 1.00 0.00 H new ATOM 0 HB2 GLN A 74 76.191 -1.763 -9.815 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.186 -2.991 -11.065 1.00 0.00 H new ATOM 0 HG2 GLN A 74 74.534 -1.514 -11.869 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.553 -2.687 -11.012 1.00 0.00 H new ATOM 0 HE21 GLN A 74 74.234 0.651 -11.277 1.00 0.00 H new ATOM 0 HE22 GLN A 74 73.512 1.171 -9.751 1.00 0.00 H new ATOM 1182 N GLY A 75 73.380 -5.212 -9.080 1.00 0.00 N ATOM 1183 CA GLY A 75 72.442 -6.226 -9.641 1.00 0.00 C ATOM 1184 C GLY A 75 72.767 -7.609 -9.069 1.00 0.00 C ATOM 1185 O GLY A 75 72.158 -8.055 -8.117 1.00 0.00 O ATOM 0 H GLY A 75 73.279 -5.030 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.414 -5.956 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.520 -6.245 -10.728 1.00 0.00 H new ATOM 1189 N ALA A 76 73.718 -8.292 -9.644 1.00 0.00 N ATOM 1190 CA ALA A 76 74.071 -9.649 -9.133 1.00 0.00 C ATOM 1191 C ALA A 76 72.909 -10.618 -9.374 1.00 0.00 C ATOM 1192 O ALA A 76 71.831 -10.448 -8.841 1.00 0.00 O ATOM 1193 CB ALA A 76 74.313 -9.463 -7.633 1.00 0.00 C ATOM 0 H ALA A 76 74.265 -7.972 -10.443 1.00 0.00 H new ATOM 0 HA ALA A 76 74.945 -10.065 -9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.578 -10.421 -7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.127 -8.754 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.407 -9.082 -7.163 1.00 0.00 H new ATOM 1199 N GLU A 77 73.118 -11.629 -10.174 1.00 0.00 N ATOM 1200 CA GLU A 77 72.023 -12.605 -10.450 1.00 0.00 C ATOM 1201 C GLU A 77 71.544 -13.247 -9.145 1.00 0.00 C ATOM 1202 O GLU A 77 71.916 -14.355 -8.813 1.00 0.00 O ATOM 1203 CB GLU A 77 72.652 -13.655 -11.366 1.00 0.00 C ATOM 1204 CG GLU A 77 71.609 -14.718 -11.718 1.00 0.00 C ATOM 1205 CD GLU A 77 72.261 -15.813 -12.565 1.00 0.00 C ATOM 1206 OE1 GLU A 77 73.464 -15.983 -12.452 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.547 -16.462 -13.311 1.00 0.00 O ATOM 0 H GLU A 77 74.000 -11.822 -10.649 1.00 0.00 H new ATOM 0 HA GLU A 77 71.154 -12.133 -10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.026 -13.183 -12.274 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.506 -14.118 -10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 77 71.191 -15.148 -10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.782 -14.264 -12.265 1.00 0.00 H new ATOM 1214 N ILE A 78 70.726 -12.555 -8.400 1.00 0.00 N ATOM 1215 CA ILE A 78 70.226 -13.116 -7.111 1.00 0.00 C ATOM 1216 C ILE A 78 68.752 -12.761 -6.933 1.00 0.00 C ATOM 1217 O ILE A 78 68.158 -12.142 -7.786 1.00 0.00 O ATOM 1218 CB ILE A 78 71.062 -12.437 -6.028 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.533 -12.400 -6.447 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.929 -13.215 -4.718 1.00 0.00 C ATOM 1221 CD1 ILE A 78 73.282 -11.423 -5.548 1.00 0.00 C ATOM 0 H ILE A 78 70.381 -11.623 -8.628 1.00 0.00 H new ATOM 0 HA ILE A 78 70.312 -14.202 -7.072 1.00 0.00 H new ATOM 0 HB ILE A 78 70.703 -11.417 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.972 -13.395 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.620 -12.094 -7.490 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.526 -12.731 -3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.883 -13.234 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.283 -14.236 -4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 78 74.332 -11.391 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.847 -10.429 -5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 78 73.204 -11.750 -4.511 1.00 0.00 H new ATOM 1233 N ASP A 79 68.164 -13.138 -5.829 1.00 0.00 N ATOM 1234 CA ASP A 79 66.723 -12.817 -5.591 1.00 0.00 C ATOM 1235 C ASP A 79 65.927 -12.925 -6.898 1.00 0.00 C ATOM 1236 O ASP A 79 64.949 -12.234 -7.102 1.00 0.00 O ATOM 1237 CB ASP A 79 66.707 -11.380 -5.051 1.00 0.00 C ATOM 1238 CG ASP A 79 67.473 -10.455 -5.997 1.00 0.00 C ATOM 1239 OD1 ASP A 79 68.688 -10.411 -5.895 1.00 0.00 O ATOM 1240 OD2 ASP A 79 66.833 -9.802 -6.804 1.00 0.00 O ATOM 0 H ASP A 79 68.620 -13.656 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 79 66.260 -13.510 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 79 65.679 -11.034 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 79 67.157 -11.351 -4.058 1.00 0.00 H new ATOM 1245 N GLY A 80 66.338 -13.801 -7.776 1.00 0.00 N ATOM 1246 CA GLY A 80 65.614 -13.977 -9.062 1.00 0.00 C ATOM 1247 C GLY A 80 65.797 -12.745 -9.954 1.00 0.00 C ATOM 1248 O GLY A 80 64.985 -12.472 -10.814 1.00 0.00 O ATOM 0 H GLY A 80 67.151 -14.405 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 80 65.984 -14.864 -9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.554 -14.140 -8.870 1.00 0.00 H new ATOM 1252 N ARG A 81 66.857 -12.004 -9.762 1.00 0.00 N ATOM 1253 CA ARG A 81 67.089 -10.794 -10.604 1.00 0.00 C ATOM 1254 C ARG A 81 68.309 -10.027 -10.090 1.00 0.00 C ATOM 1255 O ARG A 81 68.985 -10.457 -9.175 1.00 0.00 O ATOM 1256 CB ARG A 81 65.824 -9.940 -10.459 1.00 0.00 C ATOM 1257 CG ARG A 81 65.464 -9.790 -8.979 1.00 0.00 C ATOM 1258 CD ARG A 81 63.969 -9.494 -8.847 1.00 0.00 C ATOM 1259 NE ARG A 81 63.716 -8.370 -9.790 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.501 -7.936 -9.977 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.483 -8.696 -9.679 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.301 -6.742 -10.464 1.00 0.00 N ATOM 0 H ARG A 81 67.572 -12.185 -9.058 1.00 0.00 H new ATOM 0 HA ARG A 81 67.281 -11.053 -11.645 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.984 -8.958 -10.905 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.998 -10.404 -10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.714 -10.703 -8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.046 -8.984 -8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.369 -10.367 -9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.710 -9.218 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 81 64.494 -7.939 -10.290 1.00 0.00 H new ATOM 0 HH11 ARG A 81 61.638 -9.630 -9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.533 -8.356 -9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 81 63.096 -6.147 -10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.350 -6.403 -10.610 1.00 0.00 H new ATOM 1276 N SER A 82 68.596 -8.893 -10.669 1.00 0.00 N ATOM 1277 CA SER A 82 69.769 -8.101 -10.211 1.00 0.00 C ATOM 1278 C SER A 82 69.329 -7.047 -9.194 1.00 0.00 C ATOM 1279 O SER A 82 68.400 -6.297 -9.423 1.00 0.00 O ATOM 1280 CB SER A 82 70.307 -7.435 -11.472 1.00 0.00 C ATOM 1281 OG SER A 82 69.276 -7.380 -12.450 1.00 0.00 O ATOM 0 H SER A 82 68.068 -8.482 -11.439 1.00 0.00 H new ATOM 0 HA SER A 82 70.522 -8.719 -9.722 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.661 -6.430 -11.243 1.00 0.00 H new ATOM 0 HB3 SER A 82 71.160 -7.994 -11.857 1.00 0.00 H new ATOM 0 HG SER A 82 69.618 -6.951 -13.262 1.00 0.00 H new ATOM 1287 N VAL A 83 69.989 -6.982 -8.072 1.00 0.00 N ATOM 1288 CA VAL A 83 69.610 -5.975 -7.040 1.00 0.00 C ATOM 1289 C VAL A 83 70.137 -4.594 -7.437 1.00 0.00 C ATOM 1290 O VAL A 83 71.235 -4.456 -7.937 1.00 0.00 O ATOM 1291 CB VAL A 83 70.273 -6.462 -5.752 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.788 -6.533 -5.950 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.952 -5.490 -4.615 1.00 0.00 C ATOM 0 H VAL A 83 70.775 -7.583 -7.824 1.00 0.00 H new ATOM 0 HA VAL A 83 68.530 -5.879 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 83 69.894 -7.453 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.259 -6.880 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 83 72.017 -7.226 -6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.169 -5.543 -6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.424 -5.836 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 83 70.330 -4.499 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 83 68.873 -5.441 -4.472 1.00 0.00 H new ATOM 1303 N SER A 84 69.358 -3.569 -7.222 1.00 0.00 N ATOM 1304 CA SER A 84 69.812 -2.199 -7.593 1.00 0.00 C ATOM 1305 C SER A 84 70.561 -1.554 -6.427 1.00 0.00 C ATOM 1306 O SER A 84 70.123 -1.597 -5.296 1.00 0.00 O ATOM 1307 CB SER A 84 68.529 -1.426 -7.899 1.00 0.00 C ATOM 1308 OG SER A 84 67.632 -2.268 -8.609 1.00 0.00 O ATOM 0 H SER A 84 68.428 -3.621 -6.806 1.00 0.00 H new ATOM 0 HA SER A 84 70.496 -2.208 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.068 -1.083 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.757 -0.539 -8.489 1.00 0.00 H new ATOM 0 HG SER A 84 67.071 -1.724 -9.201 1.00 0.00 H new ATOM 1314 N LEU A 85 71.686 -0.954 -6.694 1.00 0.00 N ATOM 1315 CA LEU A 85 72.459 -0.305 -5.598 1.00 0.00 C ATOM 1316 C LEU A 85 72.254 1.210 -5.640 1.00 0.00 C ATOM 1317 O LEU A 85 72.520 1.853 -6.636 1.00 0.00 O ATOM 1318 CB LEU A 85 73.919 -0.655 -5.882 1.00 0.00 C ATOM 1319 CG LEU A 85 74.039 -2.149 -6.174 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.517 -2.532 -6.274 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.381 -2.941 -5.042 1.00 0.00 C ATOM 0 H LEU A 85 72.104 -0.884 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 85 72.144 -0.644 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.283 -0.078 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.540 -0.390 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 85 73.541 -2.378 -7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.603 -3.598 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.986 -1.966 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.016 -2.305 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.465 -4.008 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 85 73.880 -2.713 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.328 -2.667 -4.970 1.00 0.00 H new ATOM 1333 N TYR A 86 71.789 1.787 -4.568 1.00 0.00 N ATOM 1334 CA TYR A 86 71.578 3.260 -4.556 1.00 0.00 C ATOM 1335 C TYR A 86 72.600 3.922 -3.639 1.00 0.00 C ATOM 1336 O TYR A 86 72.378 4.086 -2.455 1.00 0.00 O ATOM 1337 CB TYR A 86 70.172 3.470 -4.011 1.00 0.00 C ATOM 1338 CG TYR A 86 69.185 3.515 -5.149 1.00 0.00 C ATOM 1339 CD1 TYR A 86 68.907 2.354 -5.880 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.545 4.717 -5.473 1.00 0.00 C ATOM 1341 CE1 TYR A 86 67.989 2.395 -6.934 1.00 0.00 C ATOM 1342 CE2 TYR A 86 67.628 4.758 -6.528 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.348 3.597 -7.259 1.00 0.00 C ATOM 1344 OH TYR A 86 66.443 3.638 -8.300 1.00 0.00 O ATOM 0 H TYR A 86 71.547 1.304 -3.703 1.00 0.00 H new ATOM 0 HA TYR A 86 71.694 3.696 -5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 86 69.914 2.663 -3.325 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.128 4.399 -3.442 1.00 0.00 H new ATOM 0 HD1 TYR A 86 69.401 1.427 -5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.759 5.612 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 86 67.774 1.499 -7.498 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.135 5.686 -6.779 1.00 0.00 H new ATOM 0 HH TYR A 86 66.090 4.548 -8.391 1.00 0.00 H new ATOM 1354 N TYR A 87 73.717 4.295 -4.181 1.00 0.00 N ATOM 1355 CA TYR A 87 74.772 4.948 -3.361 1.00 0.00 C ATOM 1356 C TYR A 87 74.169 6.054 -2.496 1.00 0.00 C ATOM 1357 O TYR A 87 72.981 6.304 -2.515 1.00 0.00 O ATOM 1358 CB TYR A 87 75.742 5.546 -4.377 1.00 0.00 C ATOM 1359 CG TYR A 87 77.093 5.778 -3.740 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.865 4.691 -3.313 1.00 0.00 C ATOM 1361 CD2 TYR A 87 77.578 7.083 -3.591 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.122 4.910 -2.736 1.00 0.00 C ATOM 1363 CE2 TYR A 87 78.835 7.301 -3.015 1.00 0.00 C ATOM 1364 CZ TYR A 87 79.607 6.215 -2.588 1.00 0.00 C ATOM 1365 OH TYR A 87 80.847 6.430 -2.022 1.00 0.00 O ATOM 0 H TYR A 87 73.950 4.176 -5.167 1.00 0.00 H new ATOM 0 HA TYR A 87 75.259 4.245 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 87 75.845 4.875 -5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 87 75.346 6.487 -4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.491 3.684 -3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 87 76.982 7.921 -3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.717 4.072 -2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 87 79.209 8.308 -2.900 1.00 0.00 H new ATOM 0 HH TYR A 87 81.178 5.594 -1.633 1.00 0.00 H new ATOM 1375 N THR A 88 74.990 6.720 -1.747 1.00 0.00 N ATOM 1376 CA THR A 88 74.482 7.822 -0.876 1.00 0.00 C ATOM 1377 C THR A 88 75.644 8.673 -0.356 1.00 0.00 C ATOM 1378 O THR A 88 75.654 9.098 0.782 1.00 0.00 O ATOM 1379 CB THR A 88 73.774 7.118 0.282 1.00 0.00 C ATOM 1380 OG1 THR A 88 73.428 8.074 1.276 1.00 0.00 O ATOM 1381 CG2 THR A 88 74.702 6.065 0.888 1.00 0.00 C ATOM 0 H THR A 88 75.995 6.554 -1.695 1.00 0.00 H new ATOM 0 HA THR A 88 73.815 8.495 -1.415 1.00 0.00 H new ATOM 0 HB THR A 88 72.871 6.633 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 88 74.238 8.526 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 88 74.195 5.565 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 88 74.966 5.331 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 88 75.607 6.547 1.257 1.00 0.00 H new