USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 GLN : amide:sc= 1.83 K(o=5.4,f=-8.3!) USER MOD Set 1.2: A 32 SER OG : rot 146:sc= 0.541 USER MOD Set 1.3: A 51 TYR OH : rot -78:sc= 0.0124 USER MOD Set 1.4: A 55 GLN : amide:sc= 2.33 K(o=5.4,f=-1.2) USER MOD Set 1.5: A 92 GLN : amide:sc= 0.653 K(o=5.4,f=-11!) USER MOD Set 2.1: A 50 SER OG : rot 1:sc= 1.26 USER MOD Set 2.2: A 53 GLN : amide:sc= 0.0723 K(o=1.3,f=-3.1!) USER MOD Set 3.1: A 43 HIS : no HD1:sc= 0.861 K(o=1.7,f=-7.2!) USER MOD Set 3.2: A 74 ASN : amide:sc= 0.835 K(o=1.7,f=-0.24) USER MOD Set 4.1: A 21 TYR OH : rot 180:sc= 1.05 USER MOD Set 4.2: A 23 LYS NZ :NH3+ 171:sc= 1.29 (180deg=0.0111) USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= 1.21 (180deg=1.16) USER MOD Single : A 31 SER OG : rot -42:sc= 1.1 USER MOD Single : A 35 HIS : no HE2:sc= -0.274 K(o=-0.27,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.24) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -134:sc= -0.0638 (180deg=-0.618) USER MOD Single : A 41 THR OG1 : rot -61:sc= 1.1 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0063 USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= 1.23 (180deg=0.818) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -114:sc= 1.24 (180deg=0.251) USER MOD Single : A 52 CYS SG : rot 73:sc= 0.789 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.0637 K(o=0.064,f=-0.9) USER MOD Single : A 61 SER OG : rot 172:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0.251 K(o=0.25,f=-4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -115:sc= 0 (180deg=-0.467) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 77.593 10.753 -12.775 1.00 0.00 N ATOM 291 CA TYR A 21 77.594 9.333 -12.430 1.00 0.00 C ATOM 292 C TYR A 21 76.531 9.021 -11.379 1.00 0.00 C ATOM 293 O TYR A 21 76.153 9.882 -10.584 1.00 0.00 O ATOM 294 CB TYR A 21 78.989 8.908 -11.930 1.00 0.00 C ATOM 295 CG TYR A 21 79.220 9.140 -10.449 1.00 0.00 C ATOM 296 CD1 TYR A 21 79.095 8.099 -9.534 1.00 0.00 C ATOM 297 CD2 TYR A 21 79.558 10.399 -9.967 1.00 0.00 C ATOM 298 CE1 TYR A 21 79.298 8.310 -8.185 1.00 0.00 C ATOM 299 CE2 TYR A 21 79.765 10.615 -8.617 1.00 0.00 C ATOM 300 CZ TYR A 21 79.633 9.568 -7.731 1.00 0.00 C ATOM 301 OH TYR A 21 79.833 9.780 -6.386 1.00 0.00 O ATOM 0 HA TYR A 21 77.353 8.764 -13.328 1.00 0.00 H new ATOM 0 HB2 TYR A 21 79.132 7.849 -12.146 1.00 0.00 H new ATOM 0 HB3 TYR A 21 79.746 9.454 -12.493 1.00 0.00 H new ATOM 0 HD1 TYR A 21 78.835 7.111 -9.885 1.00 0.00 H new ATOM 0 HD2 TYR A 21 79.661 11.222 -10.658 1.00 0.00 H new ATOM 0 HE1 TYR A 21 79.195 7.492 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 21 80.029 11.599 -8.259 1.00 0.00 H new ATOM 0 HH TYR A 21 80.063 10.720 -6.234 1.00 0.00 H new ATOM 311 N ILE A 22 76.043 7.787 -11.390 1.00 0.00 N ATOM 312 CA ILE A 22 75.031 7.357 -10.435 1.00 0.00 C ATOM 313 C ILE A 22 75.611 6.334 -9.458 1.00 0.00 C ATOM 314 O ILE A 22 76.361 5.443 -9.855 1.00 0.00 O ATOM 315 CB ILE A 22 73.795 6.743 -11.135 1.00 0.00 C ATOM 316 CG1 ILE A 22 73.685 7.220 -12.593 1.00 0.00 C ATOM 317 CG2 ILE A 22 72.532 7.088 -10.362 1.00 0.00 C ATOM 318 CD1 ILE A 22 73.124 8.623 -12.750 1.00 0.00 C ATOM 0 H ILE A 22 76.332 7.066 -12.051 1.00 0.00 H new ATOM 0 HA ILE A 22 74.713 8.247 -9.893 1.00 0.00 H new ATOM 0 HB ILE A 22 73.915 5.660 -11.150 1.00 0.00 H new ATOM 0 HG12 ILE A 22 74.673 7.183 -13.051 1.00 0.00 H new ATOM 0 HG13 ILE A 22 73.052 6.524 -13.144 1.00 0.00 H new ATOM 0 HG21 ILE A 22 71.668 6.651 -10.863 1.00 0.00 H new ATOM 0 HG22 ILE A 22 72.604 6.690 -9.350 1.00 0.00 H new ATOM 0 HG23 ILE A 22 72.417 8.171 -10.318 1.00 0.00 H new ATOM 0 HD11 ILE A 22 73.080 8.881 -13.808 1.00 0.00 H new ATOM 0 HD12 ILE A 22 72.121 8.664 -12.325 1.00 0.00 H new ATOM 0 HD13 ILE A 22 73.768 9.333 -12.230 1.00 0.00 H new ATOM 330 N LYS A 23 75.269 6.472 -8.182 1.00 0.00 N ATOM 331 CA LYS A 23 75.765 5.558 -7.152 1.00 0.00 C ATOM 332 C LYS A 23 75.103 4.183 -7.271 1.00 0.00 C ATOM 333 O LYS A 23 73.907 4.034 -7.019 1.00 0.00 O ATOM 334 CB LYS A 23 75.517 6.141 -5.754 1.00 0.00 C ATOM 335 CG LYS A 23 75.784 7.636 -5.654 1.00 0.00 C ATOM 336 CD LYS A 23 76.904 7.941 -4.671 1.00 0.00 C ATOM 337 CE LYS A 23 76.897 9.405 -4.254 1.00 0.00 C ATOM 338 NZ LYS A 23 77.344 10.303 -5.356 1.00 0.00 N ATOM 0 H LYS A 23 74.652 7.205 -7.833 1.00 0.00 H new ATOM 0 HA LYS A 23 76.838 5.436 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 23 74.483 5.946 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.150 5.620 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 23 76.046 8.026 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 23 74.874 8.148 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 23 76.797 7.310 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 23 77.864 7.695 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 23 75.892 9.688 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 23 77.549 9.539 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 77.181 11.294 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 78.358 10.156 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 76.806 10.087 -6.219 1.00 0.00 H new ATOM 352 N LEU A 24 75.889 3.182 -7.657 1.00 0.00 N ATOM 353 CA LEU A 24 75.380 1.819 -7.811 1.00 0.00 C ATOM 354 C LEU A 24 75.234 1.134 -6.453 1.00 0.00 C ATOM 355 O LEU A 24 76.216 0.929 -5.739 1.00 0.00 O ATOM 356 CB LEU A 24 76.311 1.001 -8.713 1.00 0.00 C ATOM 357 CG LEU A 24 75.755 0.656 -10.099 1.00 0.00 C ATOM 358 CD1 LEU A 24 74.399 -0.024 -9.985 1.00 0.00 C ATOM 359 CD2 LEU A 24 75.658 1.905 -10.962 1.00 0.00 C ATOM 0 H LEU A 24 76.881 3.287 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 24 74.396 1.877 -8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 24 77.241 1.554 -8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.561 0.072 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 24 76.443 -0.040 -10.578 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.025 -0.259 -10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.501 -0.944 -9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 24 73.699 0.643 -9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 24 75.261 1.640 -11.942 1.00 0.00 H new ATOM 0 HD22 LEU A 24 74.995 2.626 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 24 76.649 2.345 -11.078 1.00 0.00 H new ATOM 371 N LYS A 25 74.002 0.784 -6.101 1.00 0.00 N ATOM 372 CA LYS A 25 73.729 0.124 -4.826 1.00 0.00 C ATOM 373 C LYS A 25 73.246 -1.311 -5.036 1.00 0.00 C ATOM 374 O LYS A 25 72.235 -1.549 -5.692 1.00 0.00 O ATOM 375 CB LYS A 25 72.687 0.922 -4.033 1.00 0.00 C ATOM 376 CG LYS A 25 72.388 0.343 -2.657 1.00 0.00 C ATOM 377 CD LYS A 25 71.010 0.755 -2.161 1.00 0.00 C ATOM 378 CE LYS A 25 71.060 2.066 -1.387 1.00 0.00 C ATOM 379 NZ LYS A 25 70.348 1.970 -0.082 1.00 0.00 N ATOM 0 H LYS A 25 73.177 0.945 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 25 74.659 0.086 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 25 73.039 1.947 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.762 0.966 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 25 72.450 -0.744 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.145 0.679 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 25 70.334 0.859 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 25 70.603 -0.029 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 25 72.099 2.345 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 25 70.613 2.859 -1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 69.974 2.905 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 69.562 1.294 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 71.010 1.644 0.651 1.00 0.00 H new ATOM 393 N VAL A 26 73.983 -2.268 -4.483 1.00 0.00 N ATOM 394 CA VAL A 26 73.613 -3.678 -4.603 1.00 0.00 C ATOM 395 C VAL A 26 73.373 -4.292 -3.224 1.00 0.00 C ATOM 396 O VAL A 26 74.215 -4.185 -2.331 1.00 0.00 O ATOM 397 CB VAL A 26 74.700 -4.493 -5.344 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.250 -5.932 -5.551 1.00 0.00 C ATOM 399 CG2 VAL A 26 75.047 -3.850 -6.679 1.00 0.00 C ATOM 0 H VAL A 26 74.836 -2.097 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 26 72.693 -3.719 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 26 75.595 -4.497 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 26 75.030 -6.486 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 26 74.061 -6.397 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.336 -5.946 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.813 -4.442 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.155 -3.806 -7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.421 -2.840 -6.510 1.00 0.00 H new ATOM 409 N ILE A 27 72.217 -4.929 -3.054 1.00 0.00 N ATOM 410 CA ILE A 27 71.878 -5.562 -1.780 1.00 0.00 C ATOM 411 C ILE A 27 72.335 -7.022 -1.779 1.00 0.00 C ATOM 412 O ILE A 27 71.871 -7.831 -2.583 1.00 0.00 O ATOM 413 CB ILE A 27 70.357 -5.492 -1.479 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.906 -4.046 -1.230 1.00 0.00 C ATOM 415 CG2 ILE A 27 70.005 -6.363 -0.277 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.409 -3.851 -1.366 1.00 0.00 C ATOM 0 H ILE A 27 71.503 -5.021 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 27 72.398 -5.011 -0.997 1.00 0.00 H new ATOM 0 HB ILE A 27 69.829 -5.870 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 27 70.215 -3.744 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.416 -3.388 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.934 -6.300 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.275 -7.398 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.554 -6.014 0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 27 68.159 -2.807 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.097 -4.122 -2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 27 67.893 -4.484 -0.644 1.00 0.00 H new ATOM 428 N GLY A 28 73.257 -7.342 -0.875 1.00 0.00 N ATOM 429 CA GLY A 28 73.778 -8.698 -0.784 1.00 0.00 C ATOM 430 C GLY A 28 72.767 -9.698 -0.248 1.00 0.00 C ATOM 431 O GLY A 28 71.775 -9.321 0.379 1.00 0.00 O ATOM 0 H GLY A 28 73.654 -6.686 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 28 74.108 -9.020 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.657 -8.699 -0.139 1.00 0.00 H new ATOM 435 N GLN A 29 73.040 -10.981 -0.472 1.00 0.00 N ATOM 436 CA GLN A 29 72.151 -12.058 -0.023 1.00 0.00 C ATOM 437 C GLN A 29 72.064 -12.130 1.509 1.00 0.00 C ATOM 438 O GLN A 29 71.120 -12.693 2.060 1.00 0.00 O ATOM 439 CB GLN A 29 72.621 -13.403 -0.595 1.00 0.00 C ATOM 440 CG GLN A 29 73.810 -14.013 0.137 1.00 0.00 C ATOM 441 CD GLN A 29 75.143 -13.687 -0.511 1.00 0.00 C ATOM 442 OE1 GLN A 29 75.442 -12.532 -0.812 1.00 0.00 O ATOM 443 NE2 GLN A 29 75.959 -14.705 -0.725 1.00 0.00 N ATOM 0 H GLN A 29 73.873 -11.305 -0.964 1.00 0.00 H new ATOM 0 HA GLN A 29 71.151 -11.837 -0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 29 71.790 -14.108 -0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 29 72.886 -13.266 -1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 29 73.817 -13.655 1.167 1.00 0.00 H new ATOM 0 HG3 GLN A 29 73.688 -15.095 0.176 1.00 0.00 H new ATOM 0 HE21 GLN A 29 75.676 -15.649 -0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 29 76.871 -14.546 -1.153 1.00 0.00 H new ATOM 452 N ASP A 30 73.053 -11.555 2.188 1.00 0.00 N ATOM 453 CA ASP A 30 73.084 -11.548 3.648 1.00 0.00 C ATOM 454 C ASP A 30 72.721 -10.163 4.198 1.00 0.00 C ATOM 455 O ASP A 30 73.147 -9.790 5.290 1.00 0.00 O ATOM 456 CB ASP A 30 74.471 -11.964 4.146 1.00 0.00 C ATOM 457 CG ASP A 30 74.423 -13.199 5.025 1.00 0.00 C ATOM 458 OD1 ASP A 30 73.559 -13.255 5.926 1.00 0.00 O ATOM 459 OD2 ASP A 30 75.247 -14.113 4.810 1.00 0.00 O ATOM 0 H ASP A 30 73.846 -11.087 1.749 1.00 0.00 H new ATOM 0 HA ASP A 30 72.345 -12.263 4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.119 -12.155 3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.915 -11.141 4.705 1.00 0.00 H new ATOM 464 N SER A 31 71.937 -9.407 3.415 1.00 0.00 N ATOM 465 CA SER A 31 71.502 -8.052 3.791 1.00 0.00 C ATOM 466 C SER A 31 72.691 -7.084 3.838 1.00 0.00 C ATOM 467 O SER A 31 72.710 -6.132 4.620 1.00 0.00 O ATOM 468 CB SER A 31 70.764 -8.063 5.139 1.00 0.00 C ATOM 469 OG SER A 31 70.351 -6.758 5.508 1.00 0.00 O ATOM 0 H SER A 31 71.588 -9.715 2.508 1.00 0.00 H new ATOM 0 HA SER A 31 70.809 -7.704 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.895 -8.718 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 31 71.416 -8.473 5.910 1.00 0.00 H new ATOM 0 HG SER A 31 71.067 -6.119 5.308 1.00 0.00 H new ATOM 475 N SER A 32 73.673 -7.334 2.978 1.00 0.00 N ATOM 476 CA SER A 32 74.872 -6.501 2.905 1.00 0.00 C ATOM 477 C SER A 32 74.655 -5.286 2.007 1.00 0.00 C ATOM 478 O SER A 32 73.970 -5.370 0.987 1.00 0.00 O ATOM 479 CB SER A 32 76.049 -7.323 2.379 1.00 0.00 C ATOM 480 OG SER A 32 75.626 -8.601 1.926 1.00 0.00 O ATOM 0 H SER A 32 73.663 -8.111 2.317 1.00 0.00 H new ATOM 0 HA SER A 32 75.092 -6.146 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.533 -6.787 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 32 76.793 -7.442 3.167 1.00 0.00 H new ATOM 0 HG SER A 32 76.178 -8.878 1.165 1.00 0.00 H new ATOM 486 N GLU A 33 75.246 -4.158 2.386 1.00 0.00 N ATOM 487 CA GLU A 33 75.118 -2.929 1.610 1.00 0.00 C ATOM 488 C GLU A 33 76.458 -2.517 0.996 1.00 0.00 C ATOM 489 O GLU A 33 77.373 -2.089 1.702 1.00 0.00 O ATOM 490 CB GLU A 33 74.580 -1.797 2.492 1.00 0.00 C ATOM 491 CG GLU A 33 73.095 -1.517 2.295 1.00 0.00 C ATOM 492 CD GLU A 33 72.834 -0.277 1.461 1.00 0.00 C ATOM 493 OE1 GLU A 33 73.724 0.117 0.675 1.00 0.00 O ATOM 494 OE2 GLU A 33 71.732 0.305 1.585 1.00 0.00 O ATOM 0 H GLU A 33 75.818 -4.069 3.226 1.00 0.00 H new ATOM 0 HA GLU A 33 74.415 -3.119 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.757 -2.048 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 33 75.143 -0.887 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.629 -2.377 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.620 -1.400 3.269 1.00 0.00 H new ATOM 501 N ILE A 34 76.564 -2.655 -0.323 1.00 0.00 N ATOM 502 CA ILE A 34 77.789 -2.292 -1.039 1.00 0.00 C ATOM 503 C ILE A 34 77.499 -1.247 -2.120 1.00 0.00 C ATOM 504 O ILE A 34 76.587 -1.414 -2.930 1.00 0.00 O ATOM 505 CB ILE A 34 78.461 -3.524 -1.697 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.468 -4.727 -0.742 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.876 -3.185 -2.149 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.490 -4.624 0.374 1.00 0.00 C ATOM 0 H ILE A 34 75.819 -3.015 -0.919 1.00 0.00 H new ATOM 0 HA ILE A 34 78.472 -1.876 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 34 77.876 -3.798 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 34 77.476 -4.835 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 34 78.663 -5.633 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.331 -4.062 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 34 79.841 -2.372 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.469 -2.877 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 34 79.431 -5.512 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 34 80.490 -4.548 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 34 79.284 -3.738 0.975 1.00 0.00 H new ATOM 520 N HIS A 35 78.275 -0.166 -2.119 1.00 0.00 N ATOM 521 CA HIS A 35 78.100 0.905 -3.100 1.00 0.00 C ATOM 522 C HIS A 35 79.272 0.953 -4.080 1.00 0.00 C ATOM 523 O HIS A 35 80.432 0.876 -3.680 1.00 0.00 O ATOM 524 CB HIS A 35 77.955 2.257 -2.397 1.00 0.00 C ATOM 525 CG HIS A 35 76.568 2.527 -1.896 1.00 0.00 C ATOM 526 ND1 HIS A 35 75.744 3.490 -2.437 1.00 0.00 N ATOM 527 CD2 HIS A 35 75.862 1.953 -0.894 1.00 0.00 C ATOM 528 CE1 HIS A 35 74.593 3.496 -1.792 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.637 2.573 -0.849 1.00 0.00 N ATOM 0 H HIS A 35 79.030 -0.007 -1.452 1.00 0.00 H new ATOM 0 HA HIS A 35 77.190 0.695 -3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.650 2.297 -1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.243 3.049 -3.088 1.00 0.00 H new ATOM 0 HD1 HIS A 35 75.986 4.103 -3.215 1.00 0.00 H new ATOM 0 HD2 HIS A 35 76.199 1.155 -0.249 1.00 0.00 H new ATOM 0 HE1 HIS A 35 73.756 4.146 -2.000 1.00 0.00 H new ATOM 537 N PHE A 36 78.958 1.086 -5.365 1.00 0.00 N ATOM 538 CA PHE A 36 79.985 1.138 -6.403 1.00 0.00 C ATOM 539 C PHE A 36 79.948 2.460 -7.170 1.00 0.00 C ATOM 540 O PHE A 36 78.878 3.006 -7.452 1.00 0.00 O ATOM 541 CB PHE A 36 79.813 -0.030 -7.376 1.00 0.00 C ATOM 542 CG PHE A 36 80.280 -1.344 -6.822 1.00 0.00 C ATOM 543 CD1 PHE A 36 79.370 -2.337 -6.496 1.00 0.00 C ATOM 544 CD2 PHE A 36 81.630 -1.586 -6.624 1.00 0.00 C ATOM 545 CE1 PHE A 36 79.799 -3.546 -5.984 1.00 0.00 C ATOM 546 CE2 PHE A 36 82.065 -2.794 -6.110 1.00 0.00 C ATOM 547 CZ PHE A 36 81.147 -3.774 -5.790 1.00 0.00 C ATOM 0 H PHE A 36 78.002 1.160 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 36 80.954 1.062 -5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.761 -0.113 -7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.364 0.186 -8.291 1.00 0.00 H new ATOM 0 HD1 PHE A 36 78.314 -2.164 -6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.351 -0.822 -6.874 1.00 0.00 H new ATOM 0 HE1 PHE A 36 79.080 -4.313 -5.735 1.00 0.00 H new ATOM 0 HE2 PHE A 36 83.120 -2.970 -5.959 1.00 0.00 H new ATOM 0 HZ PHE A 36 81.483 -4.719 -5.388 1.00 0.00 H new ATOM 557 N LYS A 37 81.129 2.971 -7.507 1.00 0.00 N ATOM 558 CA LYS A 37 81.249 4.225 -8.247 1.00 0.00 C ATOM 559 C LYS A 37 81.544 3.955 -9.726 1.00 0.00 C ATOM 560 O LYS A 37 82.704 3.902 -10.142 1.00 0.00 O ATOM 561 CB LYS A 37 82.354 5.094 -7.639 1.00 0.00 C ATOM 562 CG LYS A 37 82.327 6.540 -8.108 1.00 0.00 C ATOM 563 CD LYS A 37 83.731 7.082 -8.335 1.00 0.00 C ATOM 564 CE LYS A 37 84.080 7.137 -9.815 1.00 0.00 C ATOM 565 NZ LYS A 37 84.612 5.837 -10.309 1.00 0.00 N ATOM 0 H LYS A 37 82.022 2.533 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 37 80.301 4.758 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 37 82.264 5.073 -6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 37 83.322 4.660 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 37 81.755 6.612 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 37 81.815 7.154 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 37 83.810 8.081 -7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 37 84.453 6.453 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 37 83.193 7.407 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 37 84.819 7.920 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 85.143 5.991 -11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 85.243 5.425 -9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 83.822 5.185 -10.490 1.00 0.00 H new ATOM 579 N VAL A 38 80.487 3.785 -10.515 1.00 0.00 N ATOM 580 CA VAL A 38 80.632 3.511 -11.945 1.00 0.00 C ATOM 581 C VAL A 38 79.430 4.049 -12.735 1.00 0.00 C ATOM 582 O VAL A 38 78.365 4.295 -12.170 1.00 0.00 O ATOM 583 CB VAL A 38 80.806 1.989 -12.197 1.00 0.00 C ATOM 584 CG1 VAL A 38 79.475 1.256 -12.111 1.00 0.00 C ATOM 585 CG2 VAL A 38 81.480 1.730 -13.539 1.00 0.00 C ATOM 0 H VAL A 38 79.521 3.832 -10.191 1.00 0.00 H new ATOM 0 HA VAL A 38 81.527 4.026 -12.294 1.00 0.00 H new ATOM 0 HB VAL A 38 81.452 1.599 -11.411 1.00 0.00 H new ATOM 0 HG11 VAL A 38 79.633 0.193 -12.292 1.00 0.00 H new ATOM 0 HG12 VAL A 38 79.046 1.395 -11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 38 78.791 1.654 -12.861 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.589 0.656 -13.690 1.00 0.00 H new ATOM 0 HG22 VAL A 38 80.870 2.149 -14.339 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.463 2.200 -13.549 1.00 0.00 H new ATOM 595 N LYS A 39 79.617 4.248 -14.037 1.00 0.00 N ATOM 596 CA LYS A 39 78.547 4.751 -14.899 1.00 0.00 C ATOM 597 C LYS A 39 77.549 3.642 -15.243 1.00 0.00 C ATOM 598 O LYS A 39 77.861 2.456 -15.139 1.00 0.00 O ATOM 599 CB LYS A 39 79.134 5.340 -16.183 1.00 0.00 C ATOM 600 CG LYS A 39 79.467 6.820 -16.078 1.00 0.00 C ATOM 601 CD LYS A 39 80.298 7.290 -17.261 1.00 0.00 C ATOM 602 CE LYS A 39 81.786 7.259 -16.948 1.00 0.00 C ATOM 603 NZ LYS A 39 82.610 7.665 -18.119 1.00 0.00 N ATOM 0 H LYS A 39 80.498 4.069 -14.519 1.00 0.00 H new ATOM 0 HA LYS A 39 78.017 5.533 -14.355 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.038 4.790 -16.444 1.00 0.00 H new ATOM 0 HB3 LYS A 39 78.425 5.193 -16.998 1.00 0.00 H new ATOM 0 HG2 LYS A 39 78.545 7.399 -16.027 1.00 0.00 H new ATOM 0 HG3 LYS A 39 80.012 7.007 -15.152 1.00 0.00 H new ATOM 0 HD2 LYS A 39 80.094 6.656 -18.124 1.00 0.00 H new ATOM 0 HD3 LYS A 39 80.004 8.304 -17.533 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.994 7.924 -16.110 1.00 0.00 H new ATOM 0 HE3 LYS A 39 82.070 6.254 -16.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.617 7.630 -17.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.431 7.015 -18.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.358 8.634 -18.402 1.00 0.00 H new ATOM 617 N MET A 40 76.351 4.036 -15.665 1.00 0.00 N ATOM 618 CA MET A 40 75.303 3.073 -16.014 1.00 0.00 C ATOM 619 C MET A 40 75.541 2.437 -17.397 1.00 0.00 C ATOM 620 O MET A 40 74.952 1.410 -17.720 1.00 0.00 O ATOM 621 CB MET A 40 73.930 3.749 -15.977 1.00 0.00 C ATOM 622 CG MET A 40 73.483 4.129 -14.573 1.00 0.00 C ATOM 623 SD MET A 40 71.693 4.039 -14.349 1.00 0.00 S ATOM 624 CE MET A 40 71.099 5.072 -15.688 1.00 0.00 C ATOM 0 H MET A 40 76.079 5.013 -15.775 1.00 0.00 H new ATOM 0 HA MET A 40 75.335 2.274 -15.274 1.00 0.00 H new ATOM 0 HB2 MET A 40 73.957 4.645 -16.597 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.191 3.079 -16.417 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.967 3.469 -13.853 1.00 0.00 H new ATOM 0 HG3 MET A 40 73.820 5.142 -14.353 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.331 5.749 -15.312 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.927 5.652 -16.095 1.00 0.00 H new ATOM 0 HE3 MET A 40 70.677 4.444 -16.472 1.00 0.00 H new ATOM 634 N THR A 41 76.402 3.049 -18.213 1.00 0.00 N ATOM 635 CA THR A 41 76.699 2.513 -19.545 1.00 0.00 C ATOM 636 C THR A 41 77.886 1.533 -19.505 1.00 0.00 C ATOM 637 O THR A 41 78.882 1.698 -20.215 1.00 0.00 O ATOM 638 CB THR A 41 76.975 3.652 -20.559 1.00 0.00 C ATOM 639 OG1 THR A 41 77.478 3.119 -21.791 1.00 0.00 O ATOM 640 CG2 THR A 41 77.968 4.665 -19.998 1.00 0.00 C ATOM 0 H THR A 41 76.902 3.907 -17.979 1.00 0.00 H new ATOM 0 HA THR A 41 75.817 1.965 -19.876 1.00 0.00 H new ATOM 0 HB THR A 41 76.029 4.160 -20.746 1.00 0.00 H new ATOM 0 HG1 THR A 41 78.320 2.646 -21.623 1.00 0.00 H new ATOM 0 HG21 THR A 41 78.140 5.451 -20.733 1.00 0.00 H new ATOM 0 HG22 THR A 41 77.564 5.104 -19.086 1.00 0.00 H new ATOM 0 HG23 THR A 41 78.910 4.165 -19.774 1.00 0.00 H new ATOM 648 N THR A 42 77.769 0.503 -18.668 1.00 0.00 N ATOM 649 CA THR A 42 78.825 -0.500 -18.529 1.00 0.00 C ATOM 650 C THR A 42 78.254 -1.921 -18.483 1.00 0.00 C ATOM 651 O THR A 42 77.069 -2.115 -18.211 1.00 0.00 O ATOM 652 CB THR A 42 79.681 -0.253 -17.264 1.00 0.00 C ATOM 653 OG1 THR A 42 80.857 -1.072 -17.302 1.00 0.00 O ATOM 654 CG2 THR A 42 78.895 -0.548 -15.992 1.00 0.00 C ATOM 0 H THR A 42 76.954 0.341 -18.076 1.00 0.00 H new ATOM 0 HA THR A 42 79.459 -0.404 -19.410 1.00 0.00 H new ATOM 0 HB THR A 42 79.964 0.800 -17.253 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.395 -0.909 -16.499 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.527 -0.364 -15.123 1.00 0.00 H new ATOM 0 HG22 THR A 42 78.019 0.099 -15.947 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.576 -1.590 -15.995 1.00 0.00 H new ATOM 662 N HIS A 43 79.105 -2.908 -18.762 1.00 0.00 N ATOM 663 CA HIS A 43 78.698 -4.316 -18.743 1.00 0.00 C ATOM 664 C HIS A 43 78.324 -4.753 -17.323 1.00 0.00 C ATOM 665 O HIS A 43 79.078 -4.519 -16.378 1.00 0.00 O ATOM 666 CB HIS A 43 79.830 -5.196 -19.280 1.00 0.00 C ATOM 667 CG HIS A 43 79.644 -5.618 -20.706 1.00 0.00 C ATOM 668 ND1 HIS A 43 80.320 -6.676 -21.272 1.00 0.00 N ATOM 669 CD2 HIS A 43 78.846 -5.123 -21.684 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.951 -6.814 -22.531 1.00 0.00 C ATOM 671 NE2 HIS A 43 79.054 -5.886 -22.808 1.00 0.00 N ATOM 0 H HIS A 43 80.084 -2.759 -19.005 1.00 0.00 H new ATOM 0 HA HIS A 43 77.822 -4.430 -19.381 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.772 -4.655 -19.191 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.913 -6.086 -18.656 1.00 0.00 H new ATOM 0 HD2 HIS A 43 78.172 -4.284 -21.596 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.320 -7.560 -23.219 1.00 0.00 H new ATOM 0 HE2 HIS A 43 78.592 -5.757 -23.708 1.00 0.00 H new ATOM 679 N LEU A 44 77.172 -5.411 -17.176 1.00 0.00 N ATOM 680 CA LEU A 44 76.707 -5.840 -15.852 1.00 0.00 C ATOM 681 C LEU A 44 77.546 -6.978 -15.241 1.00 0.00 C ATOM 682 O LEU A 44 77.532 -7.161 -14.024 1.00 0.00 O ATOM 683 CB LEU A 44 75.230 -6.241 -15.907 1.00 0.00 C ATOM 684 CG LEU A 44 74.317 -5.545 -14.881 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.854 -4.172 -14.501 1.00 0.00 C ATOM 686 CD2 LEU A 44 72.903 -5.420 -15.422 1.00 0.00 C ATOM 0 H LEU A 44 76.550 -5.657 -17.946 1.00 0.00 H new ATOM 0 HA LEU A 44 76.832 -4.980 -15.194 1.00 0.00 H new ATOM 0 HB2 LEU A 44 74.851 -6.030 -16.907 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.158 -7.319 -15.760 1.00 0.00 H new ATOM 0 HG LEU A 44 74.300 -6.163 -13.983 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.186 -3.708 -13.775 1.00 0.00 H new ATOM 0 HD12 LEU A 44 75.847 -4.278 -14.064 1.00 0.00 H new ATOM 0 HD13 LEU A 44 74.914 -3.546 -15.391 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.273 -4.926 -14.683 1.00 0.00 H new ATOM 0 HD22 LEU A 44 72.915 -4.832 -16.340 1.00 0.00 H new ATOM 0 HD23 LEU A 44 72.505 -6.413 -15.632 1.00 0.00 H new ATOM 698 N LYS A 45 78.286 -7.732 -16.064 1.00 0.00 N ATOM 699 CA LYS A 45 79.113 -8.824 -15.545 1.00 0.00 C ATOM 700 C LYS A 45 80.247 -8.288 -14.664 1.00 0.00 C ATOM 701 O LYS A 45 80.715 -8.976 -13.754 1.00 0.00 O ATOM 702 CB LYS A 45 79.675 -9.680 -16.692 1.00 0.00 C ATOM 703 CG LYS A 45 80.746 -8.992 -17.529 1.00 0.00 C ATOM 704 CD LYS A 45 82.109 -9.639 -17.333 1.00 0.00 C ATOM 705 CE LYS A 45 83.235 -8.627 -17.466 1.00 0.00 C ATOM 706 NZ LYS A 45 84.423 -9.008 -16.651 1.00 0.00 N ATOM 0 H LYS A 45 78.328 -7.608 -17.076 1.00 0.00 H new ATOM 0 HA LYS A 45 78.477 -9.457 -14.927 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.092 -10.596 -16.274 1.00 0.00 H new ATOM 0 HB3 LYS A 45 78.854 -9.973 -17.346 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.470 -9.036 -18.582 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.800 -7.938 -17.257 1.00 0.00 H new ATOM 0 HD2 LYS A 45 82.153 -10.105 -16.349 1.00 0.00 H new ATOM 0 HD3 LYS A 45 82.244 -10.433 -18.068 1.00 0.00 H new ATOM 0 HE2 LYS A 45 83.525 -8.542 -18.513 1.00 0.00 H new ATOM 0 HE3 LYS A 45 82.880 -7.645 -17.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 84.944 -8.151 -16.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 84.111 -9.513 -15.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 85.044 -9.626 -17.211 1.00 0.00 H new ATOM 720 N LYS A 46 80.671 -7.051 -14.929 1.00 0.00 N ATOM 721 CA LYS A 46 81.731 -6.415 -14.150 1.00 0.00 C ATOM 722 C LYS A 46 81.227 -6.070 -12.749 1.00 0.00 C ATOM 723 O LYS A 46 81.936 -6.255 -11.759 1.00 0.00 O ATOM 724 CB LYS A 46 82.225 -5.150 -14.856 1.00 0.00 C ATOM 725 CG LYS A 46 83.638 -5.270 -15.405 1.00 0.00 C ATOM 726 CD LYS A 46 83.808 -4.475 -16.688 1.00 0.00 C ATOM 727 CE LYS A 46 85.166 -4.725 -17.324 1.00 0.00 C ATOM 728 NZ LYS A 46 85.592 -3.593 -18.191 1.00 0.00 N ATOM 0 H LYS A 46 80.295 -6.470 -15.679 1.00 0.00 H new ATOM 0 HA LYS A 46 82.562 -7.115 -14.062 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.545 -4.912 -15.674 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.186 -4.315 -14.156 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.350 -4.916 -14.660 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.868 -6.319 -15.593 1.00 0.00 H new ATOM 0 HD2 LYS A 46 83.021 -4.745 -17.392 1.00 0.00 H new ATOM 0 HD3 LYS A 46 83.695 -3.412 -16.476 1.00 0.00 H new ATOM 0 HE2 LYS A 46 85.909 -4.883 -16.542 1.00 0.00 H new ATOM 0 HE3 LYS A 46 85.127 -5.640 -17.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 86.522 -3.804 -18.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 84.897 -3.458 -18.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 85.655 -2.725 -17.622 1.00 0.00 H new ATOM 742 N LEU A 47 79.990 -5.578 -12.679 1.00 0.00 N ATOM 743 CA LEU A 47 79.370 -5.222 -11.404 1.00 0.00 C ATOM 744 C LEU A 47 79.140 -6.471 -10.552 1.00 0.00 C ATOM 745 O LEU A 47 79.398 -6.470 -9.347 1.00 0.00 O ATOM 746 CB LEU A 47 78.039 -4.502 -11.645 1.00 0.00 C ATOM 747 CG LEU A 47 77.997 -3.044 -11.186 1.00 0.00 C ATOM 748 CD1 LEU A 47 77.462 -2.152 -12.297 1.00 0.00 C ATOM 749 CD2 LEU A 47 77.147 -2.907 -9.933 1.00 0.00 C ATOM 0 H LEU A 47 79.397 -5.417 -13.493 1.00 0.00 H new ATOM 0 HA LEU A 47 80.044 -4.553 -10.869 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.812 -4.538 -12.711 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.249 -5.051 -11.132 1.00 0.00 H new ATOM 0 HG LEU A 47 79.012 -2.725 -10.949 1.00 0.00 H new ATOM 0 HD11 LEU A 47 77.439 -1.118 -11.954 1.00 0.00 H new ATOM 0 HD12 LEU A 47 78.110 -2.230 -13.170 1.00 0.00 H new ATOM 0 HD13 LEU A 47 76.454 -2.469 -12.564 1.00 0.00 H new ATOM 0 HD21 LEU A 47 77.127 -1.863 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 47 76.131 -3.242 -10.144 1.00 0.00 H new ATOM 0 HD23 LEU A 47 77.572 -3.517 -9.136 1.00 0.00 H new ATOM 761 N LYS A 48 78.661 -7.537 -11.196 1.00 0.00 N ATOM 762 CA LYS A 48 78.406 -8.807 -10.514 1.00 0.00 C ATOM 763 C LYS A 48 79.706 -9.400 -9.962 1.00 0.00 C ATOM 764 O LYS A 48 79.775 -9.793 -8.797 1.00 0.00 O ATOM 765 CB LYS A 48 77.755 -9.806 -11.478 1.00 0.00 C ATOM 766 CG LYS A 48 76.282 -9.535 -11.748 1.00 0.00 C ATOM 767 CD LYS A 48 75.861 -10.046 -13.117 1.00 0.00 C ATOM 768 CE LYS A 48 75.034 -11.319 -13.012 1.00 0.00 C ATOM 769 NZ LYS A 48 74.995 -12.064 -14.303 1.00 0.00 N ATOM 0 H LYS A 48 78.441 -7.546 -12.192 1.00 0.00 H new ATOM 0 HA LYS A 48 77.728 -8.613 -9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 48 78.297 -9.788 -12.424 1.00 0.00 H new ATOM 0 HB3 LYS A 48 77.860 -10.811 -11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 48 75.676 -10.013 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.091 -8.464 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.283 -9.278 -13.630 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.747 -10.236 -13.723 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.451 -11.960 -12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 48 74.018 -11.068 -12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 74.024 -12.061 -14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 75.631 -11.606 -14.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 75.303 -13.045 -14.147 1.00 0.00 H new ATOM 783 N GLU A 49 80.738 -9.444 -10.807 1.00 0.00 N ATOM 784 CA GLU A 49 82.042 -9.984 -10.416 1.00 0.00 C ATOM 785 C GLU A 49 82.681 -9.174 -9.284 1.00 0.00 C ATOM 786 O GLU A 49 83.328 -9.736 -8.398 1.00 0.00 O ATOM 787 CB GLU A 49 82.984 -10.006 -11.625 1.00 0.00 C ATOM 788 CG GLU A 49 83.079 -11.363 -12.306 1.00 0.00 C ATOM 789 CD GLU A 49 83.074 -11.263 -13.821 1.00 0.00 C ATOM 790 OE1 GLU A 49 83.799 -10.396 -14.365 1.00 0.00 O ATOM 791 OE2 GLU A 49 82.355 -12.054 -14.466 1.00 0.00 O ATOM 0 H GLU A 49 80.695 -9.111 -11.770 1.00 0.00 H new ATOM 0 HA GLU A 49 81.880 -10.999 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.644 -9.268 -12.352 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.980 -9.701 -11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.992 -11.864 -11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.243 -11.985 -11.985 1.00 0.00 H new ATOM 798 N SER A 50 82.489 -7.856 -9.310 1.00 0.00 N ATOM 799 CA SER A 50 83.058 -6.982 -8.283 1.00 0.00 C ATOM 800 C SER A 50 82.332 -7.144 -6.948 1.00 0.00 C ATOM 801 O SER A 50 82.959 -7.205 -5.891 1.00 0.00 O ATOM 802 CB SER A 50 83.011 -5.518 -8.727 1.00 0.00 C ATOM 803 OG SER A 50 84.159 -4.814 -8.280 1.00 0.00 O ATOM 0 H SER A 50 81.947 -7.371 -10.026 1.00 0.00 H new ATOM 0 HA SER A 50 84.098 -7.277 -8.146 1.00 0.00 H new ATOM 0 HB2 SER A 50 82.948 -5.466 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 50 82.112 -5.043 -8.333 1.00 0.00 H new ATOM 0 HG SER A 50 84.750 -5.427 -7.794 1.00 0.00 H new ATOM 809 N TYR A 51 81.003 -7.207 -7.005 1.00 0.00 N ATOM 810 CA TYR A 51 80.183 -7.381 -5.798 1.00 0.00 C ATOM 811 C TYR A 51 80.537 -8.683 -5.059 1.00 0.00 C ATOM 812 O TYR A 51 80.634 -8.701 -3.829 1.00 0.00 O ATOM 813 CB TYR A 51 78.683 -7.341 -6.154 1.00 0.00 C ATOM 814 CG TYR A 51 77.810 -8.222 -5.286 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.486 -7.856 -3.984 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.310 -9.420 -5.775 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.687 -8.665 -3.196 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.513 -10.231 -4.993 1.00 0.00 C ATOM 819 CZ TYR A 51 76.204 -9.850 -3.706 1.00 0.00 C ATOM 820 OH TYR A 51 75.404 -10.654 -2.925 1.00 0.00 O ATOM 0 H TYR A 51 80.468 -7.141 -7.871 1.00 0.00 H new ATOM 0 HA TYR A 51 80.401 -6.553 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.331 -6.312 -6.076 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.561 -7.642 -7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.863 -6.927 -3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.548 -9.723 -6.784 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.443 -8.369 -2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.133 -11.161 -5.389 1.00 0.00 H new ATOM 0 HH TYR A 51 75.960 -11.148 -2.287 1.00 0.00 H new ATOM 830 N CYS A 52 80.747 -9.766 -5.808 1.00 0.00 N ATOM 831 CA CYS A 52 81.088 -11.062 -5.207 1.00 0.00 C ATOM 832 C CYS A 52 82.497 -11.048 -4.614 1.00 0.00 C ATOM 833 O CYS A 52 82.765 -11.709 -3.607 1.00 0.00 O ATOM 834 CB CYS A 52 80.969 -12.202 -6.228 1.00 0.00 C ATOM 835 SG CYS A 52 79.349 -12.316 -7.022 1.00 0.00 S ATOM 0 H CYS A 52 80.688 -9.775 -6.826 1.00 0.00 H new ATOM 0 HA CYS A 52 80.372 -11.236 -4.404 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.730 -12.068 -6.997 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.184 -13.147 -5.728 1.00 0.00 H new ATOM 0 HG CYS A 52 79.212 -11.340 -7.870 1.00 0.00 H new ATOM 841 N GLN A 53 83.392 -10.281 -5.239 1.00 0.00 N ATOM 842 CA GLN A 53 84.775 -10.171 -4.776 1.00 0.00 C ATOM 843 C GLN A 53 84.865 -9.381 -3.463 1.00 0.00 C ATOM 844 O GLN A 53 85.802 -9.564 -2.684 1.00 0.00 O ATOM 845 CB GLN A 53 85.647 -9.525 -5.867 1.00 0.00 C ATOM 846 CG GLN A 53 86.061 -8.087 -5.577 1.00 0.00 C ATOM 847 CD GLN A 53 86.648 -7.386 -6.788 1.00 0.00 C ATOM 848 OE1 GLN A 53 86.031 -6.497 -7.371 1.00 0.00 O ATOM 849 NE2 GLN A 53 87.852 -7.780 -7.175 1.00 0.00 N ATOM 0 H GLN A 53 83.182 -9.726 -6.069 1.00 0.00 H new ATOM 0 HA GLN A 53 85.149 -11.175 -4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.545 -10.128 -6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.103 -9.550 -6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 53 85.194 -7.528 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 53 86.793 -8.081 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 53 88.334 -8.521 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 53 88.297 -7.342 -7.982 1.00 0.00 H new ATOM 858 N ARG A 54 83.886 -8.506 -3.224 1.00 0.00 N ATOM 859 CA ARG A 54 83.852 -7.698 -2.004 1.00 0.00 C ATOM 860 C ARG A 54 83.553 -8.565 -0.781 1.00 0.00 C ATOM 861 O ARG A 54 84.199 -8.432 0.259 1.00 0.00 O ATOM 862 CB ARG A 54 82.800 -6.592 -2.130 1.00 0.00 C ATOM 863 CG ARG A 54 83.376 -5.187 -2.032 1.00 0.00 C ATOM 864 CD ARG A 54 84.016 -4.754 -3.340 1.00 0.00 C ATOM 865 NE ARG A 54 85.233 -3.975 -3.122 1.00 0.00 N ATOM 866 CZ ARG A 54 86.078 -3.643 -4.084 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.857 -4.012 -5.323 1.00 0.00 N ATOM 868 NH2 ARG A 54 87.149 -2.941 -3.806 1.00 0.00 N ATOM 0 H ARG A 54 83.106 -8.339 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 54 84.834 -7.244 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.286 -6.699 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.052 -6.724 -1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 54 82.585 -4.487 -1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.118 -5.152 -1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.251 -5.635 -3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.304 -4.161 -3.913 1.00 0.00 H new ATOM 0 HE ARG A 54 85.443 -3.669 -2.172 1.00 0.00 H new ATOM 0 HH11 ARG A 54 85.028 -4.560 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.515 -3.751 -6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 54 87.333 -2.649 -2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.799 -2.686 -4.550 1.00 0.00 H new ATOM 882 N GLN A 55 82.564 -9.445 -0.911 1.00 0.00 N ATOM 883 CA GLN A 55 82.188 -10.348 0.180 1.00 0.00 C ATOM 884 C GLN A 55 83.151 -11.539 0.276 1.00 0.00 C ATOM 885 O GLN A 55 83.604 -11.893 1.364 1.00 0.00 O ATOM 886 CB GLN A 55 80.752 -10.862 0.003 1.00 0.00 C ATOM 887 CG GLN A 55 79.745 -9.804 -0.428 1.00 0.00 C ATOM 888 CD GLN A 55 78.309 -10.254 -0.224 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.501 -9.548 0.372 1.00 0.00 O ATOM 890 NE2 GLN A 55 77.984 -11.436 -0.719 1.00 0.00 N ATOM 0 H GLN A 55 82.007 -9.554 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 55 82.247 -9.774 1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.756 -11.663 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.419 -11.299 0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 55 79.920 -8.888 0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.902 -9.564 -1.480 1.00 0.00 H new ATOM 0 HE21 GLN A 55 78.684 -11.994 -1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 55 77.033 -11.790 -0.612 1.00 0.00 H new ATOM 899 N GLY A 56 83.460 -12.154 -0.866 1.00 0.00 N ATOM 900 CA GLY A 56 84.361 -13.295 -0.876 1.00 0.00 C ATOM 901 C GLY A 56 83.649 -14.606 -1.165 1.00 0.00 C ATOM 902 O GLY A 56 83.941 -15.628 -0.541 1.00 0.00 O ATOM 0 H GLY A 56 83.103 -11.882 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.135 -13.134 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.863 -13.364 0.089 1.00 0.00 H new ATOM 906 N VAL A 57 82.721 -14.576 -2.121 1.00 0.00 N ATOM 907 CA VAL A 57 81.955 -15.769 -2.496 1.00 0.00 C ATOM 908 C VAL A 57 81.937 -15.961 -4.018 1.00 0.00 C ATOM 909 O VAL A 57 82.090 -14.996 -4.771 1.00 0.00 O ATOM 910 CB VAL A 57 80.496 -15.707 -1.979 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.357 -16.469 -0.671 1.00 0.00 C ATOM 912 CG2 VAL A 57 80.028 -14.266 -1.813 1.00 0.00 C ATOM 0 H VAL A 57 82.480 -13.739 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 57 82.456 -16.616 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 57 79.858 -16.181 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.325 -16.413 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.631 -17.512 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 57 81.015 -16.029 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 57 79.001 -14.257 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.671 -13.755 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 57 80.077 -13.755 -2.774 1.00 0.00 H new ATOM 922 N PRO A 58 81.753 -17.210 -4.497 1.00 0.00 N ATOM 923 CA PRO A 58 81.722 -17.519 -5.932 1.00 0.00 C ATOM 924 C PRO A 58 80.409 -17.105 -6.604 1.00 0.00 C ATOM 925 O PRO A 58 79.339 -17.168 -5.998 1.00 0.00 O ATOM 926 CB PRO A 58 81.878 -19.050 -5.987 1.00 0.00 C ATOM 927 CG PRO A 58 82.146 -19.488 -4.581 1.00 0.00 C ATOM 928 CD PRO A 58 81.571 -18.424 -3.692 1.00 0.00 C ATOM 0 HA PRO A 58 82.501 -16.974 -6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.975 -19.520 -6.377 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.697 -19.335 -6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 58 81.684 -20.454 -4.380 1.00 0.00 H new ATOM 0 HG3 PRO A 58 83.216 -19.604 -4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.521 -18.608 -3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.097 -18.363 -2.739 1.00 0.00 H new ATOM 936 N MET A 59 80.499 -16.707 -7.872 1.00 0.00 N ATOM 937 CA MET A 59 79.321 -16.284 -8.635 1.00 0.00 C ATOM 938 C MET A 59 78.489 -17.481 -9.114 1.00 0.00 C ATOM 939 O MET A 59 77.395 -17.315 -9.648 1.00 0.00 O ATOM 940 CB MET A 59 79.749 -15.438 -9.836 1.00 0.00 C ATOM 941 CG MET A 59 78.930 -14.168 -10.005 1.00 0.00 C ATOM 942 SD MET A 59 78.258 -13.988 -11.668 1.00 0.00 S ATOM 943 CE MET A 59 79.544 -13.018 -12.449 1.00 0.00 C ATOM 0 H MET A 59 81.374 -16.668 -8.394 1.00 0.00 H new ATOM 0 HA MET A 59 78.696 -15.688 -7.969 1.00 0.00 H new ATOM 0 HB2 MET A 59 80.800 -15.171 -9.727 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.665 -16.038 -10.742 1.00 0.00 H new ATOM 0 HG2 MET A 59 78.111 -14.170 -9.285 1.00 0.00 H new ATOM 0 HG3 MET A 59 79.554 -13.305 -9.775 1.00 0.00 H new ATOM 0 HE1 MET A 59 79.273 -12.823 -13.487 1.00 0.00 H new ATOM 0 HE2 MET A 59 79.658 -12.072 -11.920 1.00 0.00 H new ATOM 0 HE3 MET A 59 80.485 -13.567 -12.416 1.00 0.00 H new ATOM 953 N ASN A 60 79.012 -18.689 -8.917 1.00 0.00 N ATOM 954 CA ASN A 60 78.316 -19.910 -9.321 1.00 0.00 C ATOM 955 C ASN A 60 77.380 -20.416 -8.216 1.00 0.00 C ATOM 956 O ASN A 60 76.906 -21.553 -8.262 1.00 0.00 O ATOM 957 CB ASN A 60 79.328 -21.002 -9.686 1.00 0.00 C ATOM 958 CG ASN A 60 80.574 -20.450 -10.353 1.00 0.00 C ATOM 959 OD1 ASN A 60 81.464 -19.917 -9.692 1.00 0.00 O ATOM 960 ND2 ASN A 60 80.649 -20.572 -11.668 1.00 0.00 N ATOM 0 H ASN A 60 79.919 -18.849 -8.478 1.00 0.00 H new ATOM 0 HA ASN A 60 77.710 -19.671 -10.195 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.614 -21.542 -8.784 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.854 -21.722 -10.352 1.00 0.00 H new ATOM 0 HD21 ASN A 60 81.465 -20.218 -12.167 1.00 0.00 H new ATOM 0 HD22 ASN A 60 79.891 -21.020 -12.183 1.00 0.00 H new ATOM 967 N SER A 61 77.124 -19.572 -7.219 1.00 0.00 N ATOM 968 CA SER A 61 76.245 -19.942 -6.112 1.00 0.00 C ATOM 969 C SER A 61 75.117 -18.925 -5.920 1.00 0.00 C ATOM 970 O SER A 61 73.996 -19.285 -5.551 1.00 0.00 O ATOM 971 CB SER A 61 77.050 -20.088 -4.814 1.00 0.00 C ATOM 972 OG SER A 61 76.306 -19.650 -3.689 1.00 0.00 O ATOM 0 H SER A 61 77.511 -18.631 -7.155 1.00 0.00 H new ATOM 0 HA SER A 61 75.791 -20.901 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.337 -21.131 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.972 -19.511 -4.889 1.00 0.00 H new ATOM 0 HG SER A 61 76.790 -19.878 -2.868 1.00 0.00 H new ATOM 978 N LEU A 62 75.414 -17.655 -6.181 1.00 0.00 N ATOM 979 CA LEU A 62 74.425 -16.590 -6.034 1.00 0.00 C ATOM 980 C LEU A 62 74.179 -15.879 -7.365 1.00 0.00 C ATOM 981 O LEU A 62 75.112 -15.612 -8.121 1.00 0.00 O ATOM 982 CB LEU A 62 74.878 -15.590 -4.966 1.00 0.00 C ATOM 983 CG LEU A 62 76.369 -15.242 -4.982 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.565 -13.735 -4.998 1.00 0.00 C ATOM 985 CD2 LEU A 62 77.071 -15.858 -3.782 1.00 0.00 C ATOM 0 H LEU A 62 76.331 -17.338 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 62 73.485 -17.040 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.306 -14.670 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.627 -15.993 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 62 76.810 -15.655 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.631 -13.507 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.095 -13.316 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.110 -13.299 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.130 -15.601 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.627 -15.473 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.960 -16.942 -3.812 1.00 0.00 H new ATOM 997 N ARG A 63 72.917 -15.573 -7.638 1.00 0.00 N ATOM 998 CA ARG A 63 72.542 -14.910 -8.885 1.00 0.00 C ATOM 999 C ARG A 63 71.979 -13.510 -8.644 1.00 0.00 C ATOM 1000 O ARG A 63 71.346 -13.246 -7.620 1.00 0.00 O ATOM 1001 CB ARG A 63 71.508 -15.748 -9.647 1.00 0.00 C ATOM 1002 CG ARG A 63 70.501 -16.452 -8.750 1.00 0.00 C ATOM 1003 CD ARG A 63 69.110 -16.454 -9.367 1.00 0.00 C ATOM 1004 NE ARG A 63 68.086 -16.875 -8.412 1.00 0.00 N ATOM 1005 CZ ARG A 63 66.834 -17.136 -8.743 1.00 0.00 C ATOM 1006 NH1 ARG A 63 66.436 -17.028 -9.987 1.00 0.00 N ATOM 1007 NH2 ARG A 63 65.974 -17.507 -7.826 1.00 0.00 N ATOM 0 H ARG A 63 72.135 -15.772 -7.015 1.00 0.00 H new ATOM 0 HA ARG A 63 73.451 -14.813 -9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.971 -15.101 -10.341 1.00 0.00 H new ATOM 0 HB3 ARG A 63 72.030 -16.494 -10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.824 -17.478 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 63 70.469 -15.957 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.875 -15.455 -9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 63 69.097 -17.121 -10.229 1.00 0.00 H new ATOM 0 HE ARG A 63 68.354 -16.973 -7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.095 -16.740 -10.710 1.00 0.00 H new ATOM 0 HH12 ARG A 63 65.467 -17.232 -10.232 1.00 0.00 H new ATOM 0 HH21 ARG A 63 66.271 -17.595 -6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 63 65.008 -17.708 -8.084 1.00 0.00 H new ATOM 1021 N LEU A 64 72.214 -12.620 -9.603 1.00 0.00 N ATOM 1022 CA LEU A 64 71.721 -11.245 -9.522 1.00 0.00 C ATOM 1023 C LEU A 64 70.541 -11.061 -10.474 1.00 0.00 C ATOM 1024 O LEU A 64 70.619 -11.427 -11.646 1.00 0.00 O ATOM 1025 CB LEU A 64 72.831 -10.246 -9.873 1.00 0.00 C ATOM 1026 CG LEU A 64 73.632 -9.714 -8.682 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.903 -10.524 -8.484 1.00 0.00 C ATOM 1028 CD2 LEU A 64 73.961 -8.242 -8.878 1.00 0.00 C ATOM 0 H LEU A 64 72.745 -12.825 -10.449 1.00 0.00 H new ATOM 0 HA LEU A 64 71.396 -11.055 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.520 -10.724 -10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.384 -9.401 -10.396 1.00 0.00 H new ATOM 0 HG LEU A 64 73.021 -9.815 -7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.457 -10.129 -7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.645 -11.566 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.520 -10.458 -9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.531 -7.879 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.552 -8.119 -9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 64 73.037 -7.671 -8.967 1.00 0.00 H new ATOM 1040 N LEU A 65 69.447 -10.498 -9.971 1.00 0.00 N ATOM 1041 CA LEU A 65 68.263 -10.294 -10.800 1.00 0.00 C ATOM 1042 C LEU A 65 67.604 -8.939 -10.534 1.00 0.00 C ATOM 1043 O LEU A 65 67.793 -8.330 -9.480 1.00 0.00 O ATOM 1044 CB LEU A 65 67.245 -11.465 -10.662 1.00 0.00 C ATOM 1045 CG LEU A 65 66.779 -11.905 -9.251 1.00 0.00 C ATOM 1046 CD1 LEU A 65 67.917 -12.514 -8.442 1.00 0.00 C ATOM 1047 CD2 LEU A 65 66.116 -10.768 -8.491 1.00 0.00 C ATOM 0 H LEU A 65 69.355 -10.178 -9.007 1.00 0.00 H new ATOM 0 HA LEU A 65 68.604 -10.287 -11.835 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.355 -11.194 -11.231 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.681 -12.337 -11.149 1.00 0.00 H new ATOM 0 HG LEU A 65 66.028 -12.681 -9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 65 67.548 -12.809 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 65 68.305 -13.390 -8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 65 68.714 -11.779 -8.325 1.00 0.00 H new ATOM 0 HD21 LEU A 65 65.805 -11.120 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 65 66.823 -9.947 -8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 65 65.244 -10.420 -9.044 1.00 0.00 H new ATOM 1059 N PHE A 66 66.843 -8.462 -11.513 1.00 0.00 N ATOM 1060 CA PHE A 66 66.151 -7.182 -11.392 1.00 0.00 C ATOM 1061 C PHE A 66 64.678 -7.331 -11.766 1.00 0.00 C ATOM 1062 O PHE A 66 64.357 -7.835 -12.839 1.00 0.00 O ATOM 1063 CB PHE A 66 66.816 -6.125 -12.281 1.00 0.00 C ATOM 1064 CG PHE A 66 66.136 -4.784 -12.236 1.00 0.00 C ATOM 1065 CD1 PHE A 66 66.081 -4.061 -11.054 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.545 -4.255 -13.371 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.449 -2.833 -11.008 1.00 0.00 C ATOM 1068 CE2 PHE A 66 64.913 -3.027 -13.331 1.00 0.00 C ATOM 1069 CZ PHE A 66 64.865 -2.315 -12.148 1.00 0.00 C ATOM 0 H PHE A 66 66.689 -8.942 -12.400 1.00 0.00 H new ATOM 0 HA PHE A 66 66.216 -6.856 -10.354 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.855 -6.006 -11.974 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.827 -6.483 -13.310 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.537 -4.462 -10.161 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.578 -4.808 -14.298 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.412 -2.279 -10.082 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.457 -2.624 -14.223 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.372 -1.355 -12.114 1.00 0.00 H new ATOM 1079 N GLU A 67 63.796 -6.911 -10.850 1.00 0.00 N ATOM 1080 CA GLU A 67 62.333 -6.976 -11.036 1.00 0.00 C ATOM 1081 C GLU A 67 61.834 -8.396 -11.375 1.00 0.00 C ATOM 1082 O GLU A 67 60.709 -8.577 -11.847 1.00 0.00 O ATOM 1083 CB GLU A 67 61.872 -5.944 -12.091 1.00 0.00 C ATOM 1084 CG GLU A 67 61.838 -6.455 -13.528 1.00 0.00 C ATOM 1085 CD GLU A 67 61.904 -5.342 -14.553 1.00 0.00 C ATOM 1086 OE1 GLU A 67 61.208 -4.320 -14.372 1.00 0.00 O ATOM 1087 OE2 GLU A 67 62.651 -5.496 -15.544 1.00 0.00 O ATOM 0 H GLU A 67 64.075 -6.514 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 67 61.878 -6.719 -10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.875 -5.595 -11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.535 -5.080 -12.045 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.674 -7.137 -13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 67 60.925 -7.030 -13.682 1.00 0.00 H new ATOM 1094 N GLY A 68 62.660 -9.405 -11.092 1.00 0.00 N ATOM 1095 CA GLY A 68 62.279 -10.781 -11.367 1.00 0.00 C ATOM 1096 C GLY A 68 62.854 -11.334 -12.666 1.00 0.00 C ATOM 1097 O GLY A 68 62.558 -12.469 -13.038 1.00 0.00 O ATOM 0 H GLY A 68 63.585 -9.292 -10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 68 62.606 -11.410 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 68 61.192 -10.846 -11.406 1.00 0.00 H new ATOM 1101 N GLN A 69 63.677 -10.549 -13.360 1.00 0.00 N ATOM 1102 CA GLN A 69 64.270 -11.006 -14.619 1.00 0.00 C ATOM 1103 C GLN A 69 65.774 -11.268 -14.480 1.00 0.00 C ATOM 1104 O GLN A 69 66.450 -10.661 -13.648 1.00 0.00 O ATOM 1105 CB GLN A 69 63.992 -10.002 -15.748 1.00 0.00 C ATOM 1106 CG GLN A 69 64.960 -8.829 -15.805 1.00 0.00 C ATOM 1107 CD GLN A 69 64.980 -8.152 -17.164 1.00 0.00 C ATOM 1108 OE1 GLN A 69 65.608 -8.634 -18.104 1.00 0.00 O ATOM 1109 NE2 GLN A 69 64.290 -7.029 -17.280 1.00 0.00 N ATOM 0 H GLN A 69 63.946 -9.606 -13.078 1.00 0.00 H new ATOM 0 HA GLN A 69 63.798 -11.954 -14.876 1.00 0.00 H new ATOM 0 HB2 GLN A 69 64.024 -10.529 -16.701 1.00 0.00 H new ATOM 0 HB3 GLN A 69 62.980 -9.615 -15.632 1.00 0.00 H new ATOM 0 HG2 GLN A 69 64.685 -8.099 -15.044 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.964 -9.179 -15.563 1.00 0.00 H new ATOM 0 HE21 GLN A 69 63.780 -6.658 -16.478 1.00 0.00 H new ATOM 0 HE22 GLN A 69 64.268 -6.534 -18.172 1.00 0.00 H new ATOM 1118 N ARG A 70 66.281 -12.186 -15.308 1.00 0.00 N ATOM 1119 CA ARG A 70 67.700 -12.553 -15.293 1.00 0.00 C ATOM 1120 C ARG A 70 68.591 -11.430 -15.831 1.00 0.00 C ATOM 1121 O ARG A 70 68.172 -10.629 -16.669 1.00 0.00 O ATOM 1122 CB ARG A 70 67.924 -13.843 -16.097 1.00 0.00 C ATOM 1123 CG ARG A 70 67.817 -13.670 -17.606 1.00 0.00 C ATOM 1124 CD ARG A 70 67.389 -14.961 -18.285 1.00 0.00 C ATOM 1125 NE ARG A 70 65.935 -15.065 -18.399 1.00 0.00 N ATOM 1126 CZ ARG A 70 65.273 -16.210 -18.396 1.00 0.00 C ATOM 1127 NH1 ARG A 70 65.912 -17.351 -18.289 1.00 0.00 N ATOM 1128 NH2 ARG A 70 63.967 -16.216 -18.502 1.00 0.00 N ATOM 0 H ARG A 70 65.727 -12.691 -16.000 1.00 0.00 H new ATOM 0 HA ARG A 70 67.982 -12.722 -14.254 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.911 -14.239 -15.858 1.00 0.00 H new ATOM 0 HB3 ARG A 70 67.196 -14.588 -15.776 1.00 0.00 H new ATOM 0 HG2 ARG A 70 67.098 -12.883 -17.833 1.00 0.00 H new ATOM 0 HG3 ARG A 70 68.779 -13.349 -18.006 1.00 0.00 H new ATOM 0 HD2 ARG A 70 67.835 -15.013 -19.278 1.00 0.00 H new ATOM 0 HD3 ARG A 70 67.770 -15.811 -17.719 1.00 0.00 H new ATOM 0 HE ARG A 70 65.399 -14.202 -18.486 1.00 0.00 H new ATOM 0 HH11 ARG A 70 66.929 -17.360 -18.207 1.00 0.00 H new ATOM 0 HH12 ARG A 70 65.392 -18.229 -18.288 1.00 0.00 H new ATOM 0 HH21 ARG A 70 63.458 -15.336 -18.587 1.00 0.00 H new ATOM 0 HH22 ARG A 70 63.459 -17.101 -18.499 1.00 0.00 H new ATOM 1142 N ILE A 71 69.828 -11.383 -15.346 1.00 0.00 N ATOM 1143 CA ILE A 71 70.775 -10.358 -15.772 1.00 0.00 C ATOM 1144 C ILE A 71 72.005 -10.978 -16.445 1.00 0.00 C ATOM 1145 O ILE A 71 72.741 -11.763 -15.838 1.00 0.00 O ATOM 1146 CB ILE A 71 71.204 -9.463 -14.577 1.00 0.00 C ATOM 1147 CG1 ILE A 71 70.214 -8.309 -14.402 1.00 0.00 C ATOM 1148 CG2 ILE A 71 72.613 -8.913 -14.762 1.00 0.00 C ATOM 1149 CD1 ILE A 71 70.107 -7.817 -12.977 1.00 0.00 C ATOM 0 H ILE A 71 70.197 -12.041 -14.660 1.00 0.00 H new ATOM 0 HA ILE A 71 70.268 -9.732 -16.506 1.00 0.00 H new ATOM 0 HB ILE A 71 71.202 -10.084 -13.682 1.00 0.00 H new ATOM 0 HG12 ILE A 71 70.517 -7.481 -15.042 1.00 0.00 H new ATOM 0 HG13 ILE A 71 69.230 -8.631 -14.742 1.00 0.00 H new ATOM 0 HG21 ILE A 71 72.877 -8.292 -13.906 1.00 0.00 H new ATOM 0 HG22 ILE A 71 73.319 -9.740 -14.842 1.00 0.00 H new ATOM 0 HG23 ILE A 71 72.653 -8.313 -15.671 1.00 0.00 H new ATOM 0 HD11 ILE A 71 69.388 -6.999 -12.927 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.774 -8.632 -12.335 1.00 0.00 H new ATOM 0 HD13 ILE A 71 71.082 -7.464 -12.640 1.00 0.00 H new ATOM 1161 N ALA A 72 72.196 -10.640 -17.718 1.00 0.00 N ATOM 1162 CA ALA A 72 73.335 -11.134 -18.490 1.00 0.00 C ATOM 1163 C ALA A 72 74.545 -10.191 -18.381 1.00 0.00 C ATOM 1164 O ALA A 72 74.653 -9.402 -17.446 1.00 0.00 O ATOM 1165 CB ALA A 72 72.930 -11.321 -19.947 1.00 0.00 C ATOM 0 H ALA A 72 71.574 -10.023 -18.240 1.00 0.00 H new ATOM 0 HA ALA A 72 73.635 -12.096 -18.075 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.783 -11.689 -20.517 1.00 0.00 H new ATOM 0 HB2 ALA A 72 72.114 -12.041 -20.008 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.603 -10.366 -20.359 1.00 0.00 H new ATOM 1171 N ASP A 73 75.448 -10.274 -19.357 1.00 0.00 N ATOM 1172 CA ASP A 73 76.657 -9.448 -19.369 1.00 0.00 C ATOM 1173 C ASP A 73 76.465 -8.155 -20.168 1.00 0.00 C ATOM 1174 O ASP A 73 76.924 -7.090 -19.755 1.00 0.00 O ATOM 1175 CB ASP A 73 77.828 -10.244 -19.956 1.00 0.00 C ATOM 1176 CG ASP A 73 77.760 -11.725 -19.619 1.00 0.00 C ATOM 1177 OD1 ASP A 73 78.317 -12.122 -18.576 1.00 0.00 O ATOM 1178 OD2 ASP A 73 77.142 -12.480 -20.398 1.00 0.00 O ATOM 0 H ASP A 73 75.366 -10.907 -20.153 1.00 0.00 H new ATOM 0 HA ASP A 73 76.872 -9.172 -18.337 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.838 -10.122 -21.039 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.765 -9.833 -19.581 1.00 0.00 H new ATOM 1183 N ASN A 74 75.768 -8.245 -21.303 1.00 0.00 N ATOM 1184 CA ASN A 74 75.536 -7.078 -22.164 1.00 0.00 C ATOM 1185 C ASN A 74 74.316 -6.262 -21.715 1.00 0.00 C ATOM 1186 O ASN A 74 73.670 -5.595 -22.522 1.00 0.00 O ATOM 1187 CB ASN A 74 75.368 -7.511 -23.627 1.00 0.00 C ATOM 1188 CG ASN A 74 75.922 -6.488 -24.601 1.00 0.00 C ATOM 1189 OD1 ASN A 74 77.121 -6.215 -24.618 1.00 0.00 O ATOM 1190 ND2 ASN A 74 75.055 -5.911 -25.415 1.00 0.00 N ATOM 0 H ASN A 74 75.354 -9.111 -21.649 1.00 0.00 H new ATOM 0 HA ASN A 74 76.413 -6.437 -22.077 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.872 -8.465 -23.781 1.00 0.00 H new ATOM 0 HB3 ASN A 74 74.310 -7.672 -23.836 1.00 0.00 H new ATOM 0 HD21 ASN A 74 75.373 -5.213 -26.087 1.00 0.00 H new ATOM 0 HD22 ASN A 74 74.068 -6.164 -25.371 1.00 0.00 H new ATOM 1197 N HIS A 75 74.000 -6.323 -20.428 1.00 0.00 N ATOM 1198 CA HIS A 75 72.866 -5.583 -19.880 1.00 0.00 C ATOM 1199 C HIS A 75 73.339 -4.328 -19.153 1.00 0.00 C ATOM 1200 O HIS A 75 74.347 -4.352 -18.449 1.00 0.00 O ATOM 1201 CB HIS A 75 72.073 -6.457 -18.910 1.00 0.00 C ATOM 1202 CG HIS A 75 70.896 -7.147 -19.532 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.500 -8.422 -19.185 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.016 -6.729 -20.474 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.431 -8.757 -19.885 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.116 -7.748 -20.673 1.00 0.00 N ATOM 0 H HIS A 75 74.512 -6.877 -19.742 1.00 0.00 H new ATOM 0 HA HIS A 75 72.225 -5.294 -20.712 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.739 -7.209 -18.487 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.723 -5.839 -18.083 1.00 0.00 H new ATOM 0 HD2 HIS A 75 70.021 -5.772 -20.975 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.904 -9.698 -19.822 1.00 0.00 H new ATOM 0 HE2 HIS A 75 68.332 -7.727 -21.325 1.00 0.00 H new ATOM 1214 N THR A 76 72.611 -3.237 -19.331 1.00 0.00 N ATOM 1215 CA THR A 76 72.951 -1.975 -18.680 1.00 0.00 C ATOM 1216 C THR A 76 71.761 -1.441 -17.883 1.00 0.00 C ATOM 1217 O THR A 76 70.611 -1.615 -18.288 1.00 0.00 O ATOM 1218 CB THR A 76 73.386 -0.902 -19.700 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.348 -0.688 -20.665 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.668 -1.306 -20.413 1.00 0.00 C ATOM 0 H THR A 76 71.780 -3.197 -19.921 1.00 0.00 H new ATOM 0 HA THR A 76 73.786 -2.181 -18.010 1.00 0.00 H new ATOM 0 HB THR A 76 73.572 0.022 -19.153 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.634 -0.004 -21.306 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.948 -0.530 -21.125 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.466 -1.433 -19.682 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.509 -2.245 -20.944 1.00 0.00 H new ATOM 1228 N PRO A 77 72.020 -0.808 -16.721 1.00 0.00 N ATOM 1229 CA PRO A 77 70.964 -0.230 -15.872 1.00 0.00 C ATOM 1230 C PRO A 77 70.022 0.703 -16.643 1.00 0.00 C ATOM 1231 O PRO A 77 68.820 0.738 -16.379 1.00 0.00 O ATOM 1232 CB PRO A 77 71.751 0.559 -14.825 1.00 0.00 C ATOM 1233 CG PRO A 77 73.060 -0.143 -14.733 1.00 0.00 C ATOM 1234 CD PRO A 77 73.357 -0.639 -16.121 1.00 0.00 C ATOM 0 HA PRO A 77 70.314 -1.000 -15.457 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.879 1.599 -15.126 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.236 0.566 -13.864 1.00 0.00 H new ATOM 0 HG2 PRO A 77 73.842 0.531 -14.383 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.011 -0.970 -14.024 1.00 0.00 H new ATOM 0 HD2 PRO A 77 73.961 0.075 -16.681 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.910 -1.578 -16.102 1.00 0.00 H new ATOM 1242 N LYS A 78 70.572 1.446 -17.604 1.00 0.00 N ATOM 1243 CA LYS A 78 69.776 2.371 -18.417 1.00 0.00 C ATOM 1244 C LYS A 78 68.825 1.620 -19.361 1.00 0.00 C ATOM 1245 O LYS A 78 67.787 2.147 -19.755 1.00 0.00 O ATOM 1246 CB LYS A 78 70.692 3.314 -19.215 1.00 0.00 C ATOM 1247 CG LYS A 78 71.462 2.638 -20.342 1.00 0.00 C ATOM 1248 CD LYS A 78 71.892 3.637 -21.404 1.00 0.00 C ATOM 1249 CE LYS A 78 72.055 2.970 -22.760 1.00 0.00 C ATOM 1250 NZ LYS A 78 72.465 3.942 -23.811 1.00 0.00 N ATOM 0 H LYS A 78 71.564 1.427 -17.840 1.00 0.00 H new ATOM 0 HA LYS A 78 69.166 2.966 -17.737 1.00 0.00 H new ATOM 0 HB2 LYS A 78 70.088 4.118 -19.635 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.404 3.775 -18.530 1.00 0.00 H new ATOM 0 HG2 LYS A 78 72.341 2.139 -19.934 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.840 1.867 -20.797 1.00 0.00 H new ATOM 0 HD2 LYS A 78 71.153 4.435 -21.476 1.00 0.00 H new ATOM 0 HD3 LYS A 78 72.833 4.101 -21.109 1.00 0.00 H new ATOM 0 HE2 LYS A 78 72.800 2.178 -22.688 1.00 0.00 H new ATOM 0 HE3 LYS A 78 71.115 2.499 -23.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 72.565 3.448 -24.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 71.742 4.684 -23.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 73.374 4.373 -23.549 1.00 0.00 H new ATOM 1264 N GLU A 79 69.184 0.384 -19.714 1.00 0.00 N ATOM 1265 CA GLU A 79 68.357 -0.436 -20.596 1.00 0.00 C ATOM 1266 C GLU A 79 67.319 -1.218 -19.792 1.00 0.00 C ATOM 1267 O GLU A 79 66.178 -1.382 -20.221 1.00 0.00 O ATOM 1268 CB GLU A 79 69.229 -1.402 -21.401 1.00 0.00 C ATOM 1269 CG GLU A 79 68.662 -1.744 -22.771 1.00 0.00 C ATOM 1270 CD GLU A 79 68.913 -3.188 -23.166 1.00 0.00 C ATOM 1271 OE1 GLU A 79 68.933 -4.059 -22.268 1.00 0.00 O ATOM 1272 OE2 GLU A 79 69.089 -3.449 -24.375 1.00 0.00 O ATOM 0 H GLU A 79 70.043 -0.069 -19.401 1.00 0.00 H new ATOM 0 HA GLU A 79 67.836 0.228 -21.285 1.00 0.00 H new ATOM 0 HB2 GLU A 79 70.219 -0.964 -21.527 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.357 -2.322 -20.831 1.00 0.00 H new ATOM 0 HG2 GLU A 79 67.589 -1.552 -22.774 1.00 0.00 H new ATOM 0 HG3 GLU A 79 69.105 -1.085 -23.518 1.00 0.00 H new ATOM 1279 N LEU A 80 67.731 -1.705 -18.620 1.00 0.00 N ATOM 1280 CA LEU A 80 66.839 -2.465 -17.740 1.00 0.00 C ATOM 1281 C LEU A 80 65.802 -1.570 -17.046 1.00 0.00 C ATOM 1282 O LEU A 80 64.786 -2.059 -16.556 1.00 0.00 O ATOM 1283 CB LEU A 80 67.657 -3.223 -16.688 1.00 0.00 C ATOM 1284 CG LEU A 80 68.432 -4.433 -17.214 1.00 0.00 C ATOM 1285 CD1 LEU A 80 69.170 -5.125 -16.081 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.499 -5.408 -17.916 1.00 0.00 C ATOM 0 H LEU A 80 68.677 -1.587 -18.257 1.00 0.00 H new ATOM 0 HA LEU A 80 66.295 -3.172 -18.366 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.363 -2.530 -16.231 1.00 0.00 H new ATOM 0 HB3 LEU A 80 66.983 -3.558 -15.899 1.00 0.00 H new ATOM 0 HG LEU A 80 69.164 -4.080 -17.940 1.00 0.00 H new ATOM 0 HD11 LEU A 80 69.716 -5.983 -16.473 1.00 0.00 H new ATOM 0 HD12 LEU A 80 69.871 -4.427 -15.624 1.00 0.00 H new ATOM 0 HD13 LEU A 80 68.453 -5.462 -15.332 1.00 0.00 H new ATOM 0 HD21 LEU A 80 68.072 -6.260 -18.282 1.00 0.00 H new ATOM 0 HD22 LEU A 80 66.740 -5.755 -17.214 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.016 -4.909 -18.756 1.00 0.00 H new ATOM 1298 N GLY A 81 66.058 -0.262 -17.007 1.00 0.00 N ATOM 1299 CA GLY A 81 65.127 0.658 -16.379 1.00 0.00 C ATOM 1300 C GLY A 81 65.441 0.944 -14.918 1.00 0.00 C ATOM 1301 O GLY A 81 64.530 1.070 -14.098 1.00 0.00 O ATOM 0 H GLY A 81 66.893 0.174 -17.399 1.00 0.00 H new ATOM 0 HA2 GLY A 81 65.129 1.597 -16.932 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.120 0.248 -16.451 1.00 0.00 H new ATOM 1305 N MET A 82 66.724 1.057 -14.582 1.00 0.00 N ATOM 1306 CA MET A 82 67.117 1.351 -13.206 1.00 0.00 C ATOM 1307 C MET A 82 67.402 2.845 -13.049 1.00 0.00 C ATOM 1308 O MET A 82 68.362 3.370 -13.610 1.00 0.00 O ATOM 1309 CB MET A 82 68.352 0.535 -12.813 1.00 0.00 C ATOM 1310 CG MET A 82 68.058 -0.589 -11.835 1.00 0.00 C ATOM 1311 SD MET A 82 69.503 -1.615 -11.498 1.00 0.00 S ATOM 1312 CE MET A 82 69.491 -2.702 -12.920 1.00 0.00 C ATOM 0 H MET A 82 67.501 0.951 -15.235 1.00 0.00 H new ATOM 0 HA MET A 82 66.296 1.075 -12.545 1.00 0.00 H new ATOM 0 HB2 MET A 82 68.799 0.113 -13.713 1.00 0.00 H new ATOM 0 HB3 MET A 82 69.092 1.203 -12.373 1.00 0.00 H new ATOM 0 HG2 MET A 82 67.693 -0.165 -10.900 1.00 0.00 H new ATOM 0 HG3 MET A 82 67.259 -1.214 -12.235 1.00 0.00 H new ATOM 0 HE1 MET A 82 69.307 -3.726 -12.594 1.00 0.00 H new ATOM 0 HE2 MET A 82 68.704 -2.393 -13.607 1.00 0.00 H new ATOM 0 HE3 MET A 82 70.455 -2.650 -13.426 1.00 0.00 H new ATOM 1322 N GLU A 83 66.563 3.522 -12.274 1.00 0.00 N ATOM 1323 CA GLU A 83 66.705 4.958 -12.056 1.00 0.00 C ATOM 1324 C GLU A 83 66.498 5.341 -10.592 1.00 0.00 C ATOM 1325 O GLU A 83 65.769 4.662 -9.866 1.00 0.00 O ATOM 1326 CB GLU A 83 65.720 5.729 -12.935 1.00 0.00 C ATOM 1327 CG GLU A 83 66.195 7.129 -13.291 1.00 0.00 C ATOM 1328 CD GLU A 83 65.116 7.972 -13.947 1.00 0.00 C ATOM 1329 OE1 GLU A 83 64.375 7.434 -14.799 1.00 0.00 O ATOM 1330 OE2 GLU A 83 65.015 9.172 -13.613 1.00 0.00 O ATOM 0 H GLU A 83 65.775 3.099 -11.784 1.00 0.00 H new ATOM 0 HA GLU A 83 67.726 5.225 -12.329 1.00 0.00 H new ATOM 0 HB2 GLU A 83 65.548 5.168 -13.853 1.00 0.00 H new ATOM 0 HB3 GLU A 83 64.762 5.799 -12.419 1.00 0.00 H new ATOM 0 HG2 GLU A 83 66.541 7.630 -12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 83 67.051 7.057 -13.963 1.00 0.00 H new ATOM 1337 N GLU A 84 67.137 6.445 -10.188 1.00 0.00 N ATOM 1338 CA GLU A 84 67.052 7.006 -8.823 1.00 0.00 C ATOM 1339 C GLU A 84 67.598 6.072 -7.737 1.00 0.00 C ATOM 1340 O GLU A 84 68.480 6.460 -6.972 1.00 0.00 O ATOM 1341 CB GLU A 84 65.607 7.397 -8.493 1.00 0.00 C ATOM 1342 CG GLU A 84 65.103 8.599 -9.276 1.00 0.00 C ATOM 1343 CD GLU A 84 63.713 8.385 -9.846 1.00 0.00 C ATOM 1344 OE1 GLU A 84 62.728 8.718 -9.151 1.00 0.00 O ATOM 1345 OE2 GLU A 84 63.611 7.880 -10.984 1.00 0.00 O ATOM 0 H GLU A 84 67.740 6.987 -10.807 1.00 0.00 H new ATOM 0 HA GLU A 84 67.689 7.890 -8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 84 64.956 6.546 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 84 65.533 7.612 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 84 65.094 9.474 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 84 65.796 8.814 -10.090 1.00 0.00 H new ATOM 1352 N GLU A 85 67.083 4.856 -7.669 1.00 0.00 N ATOM 1353 CA GLU A 85 67.542 3.893 -6.679 1.00 0.00 C ATOM 1354 C GLU A 85 68.680 3.059 -7.252 1.00 0.00 C ATOM 1355 O GLU A 85 69.649 2.763 -6.553 1.00 0.00 O ATOM 1356 CB GLU A 85 66.393 2.985 -6.229 1.00 0.00 C ATOM 1357 CG GLU A 85 66.307 2.813 -4.721 1.00 0.00 C ATOM 1358 CD GLU A 85 64.899 2.514 -4.245 1.00 0.00 C ATOM 1359 OE1 GLU A 85 64.526 1.322 -4.200 1.00 0.00 O ATOM 1360 OE2 GLU A 85 64.168 3.471 -3.916 1.00 0.00 O ATOM 0 H GLU A 85 66.348 4.511 -8.286 1.00 0.00 H new ATOM 0 HA GLU A 85 67.905 4.439 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 85 65.452 3.397 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 85 66.513 2.005 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 85 66.969 2.004 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 85 66.665 3.720 -4.235 1.00 0.00 H new ATOM 1367 N ASP A 86 68.560 2.705 -8.544 1.00 0.00 N ATOM 1368 CA ASP A 86 69.579 1.906 -9.247 1.00 0.00 C ATOM 1369 C ASP A 86 69.990 0.628 -8.476 1.00 0.00 C ATOM 1370 O ASP A 86 71.044 0.048 -8.741 1.00 0.00 O ATOM 1371 CB ASP A 86 70.804 2.782 -9.524 1.00 0.00 C ATOM 1372 CG ASP A 86 71.511 2.431 -10.820 1.00 0.00 C ATOM 1373 OD1 ASP A 86 71.071 1.485 -11.503 1.00 0.00 O ATOM 1374 OD2 ASP A 86 72.503 3.112 -11.154 1.00 0.00 O ATOM 0 H ASP A 86 67.762 2.962 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 86 69.138 1.565 -10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 86 70.495 3.827 -9.558 1.00 0.00 H new ATOM 0 HB3 ASP A 86 71.507 2.684 -8.697 1.00 0.00 H new ATOM 1379 N VAL A 87 69.158 0.202 -7.525 1.00 0.00 N ATOM 1380 CA VAL A 87 69.458 -0.963 -6.689 1.00 0.00 C ATOM 1381 C VAL A 87 69.117 -2.304 -7.363 1.00 0.00 C ATOM 1382 O VAL A 87 68.097 -2.441 -8.043 1.00 0.00 O ATOM 1383 CB VAL A 87 68.715 -0.861 -5.332 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.205 -0.871 -5.527 1.00 0.00 C ATOM 1385 CG2 VAL A 87 69.140 -1.979 -4.390 1.00 0.00 C ATOM 0 H VAL A 87 68.266 0.649 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 87 70.536 -0.951 -6.530 1.00 0.00 H new ATOM 0 HB VAL A 87 68.990 0.091 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.712 -0.798 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 87 66.913 -0.024 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 87 66.907 -1.798 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.603 -1.883 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.909 -2.943 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 87 70.212 -1.912 -4.206 1.00 0.00 H new ATOM 1395 N ILE A 88 70.004 -3.287 -7.174 1.00 0.00 N ATOM 1396 CA ILE A 88 69.815 -4.635 -7.718 1.00 0.00 C ATOM 1397 C ILE A 88 69.666 -5.650 -6.577 1.00 0.00 C ATOM 1398 O ILE A 88 70.195 -5.444 -5.481 1.00 0.00 O ATOM 1399 CB ILE A 88 70.984 -5.078 -8.633 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.753 -3.868 -9.181 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.456 -5.936 -9.775 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.838 -4.229 -10.178 1.00 0.00 C ATOM 0 H ILE A 88 70.867 -3.171 -6.643 1.00 0.00 H new ATOM 0 HA ILE A 88 68.908 -4.603 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 88 71.678 -5.669 -8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 88 71.048 -3.187 -9.657 1.00 0.00 H new ATOM 0 HG13 ILE A 88 72.204 -3.329 -8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 88 71.285 -6.243 -10.413 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.964 -6.820 -9.369 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.740 -5.360 -10.362 1.00 0.00 H new ATOM 0 HD11 ILE A 88 73.335 -3.321 -10.519 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.567 -4.885 -9.701 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.393 -4.741 -11.031 1.00 0.00 H new ATOM 1414 N GLU A 89 68.956 -6.749 -6.834 1.00 0.00 N ATOM 1415 CA GLU A 89 68.740 -7.775 -5.804 1.00 0.00 C ATOM 1416 C GLU A 89 69.501 -9.066 -6.121 1.00 0.00 C ATOM 1417 O GLU A 89 69.537 -9.521 -7.266 1.00 0.00 O ATOM 1418 CB GLU A 89 67.243 -8.074 -5.637 1.00 0.00 C ATOM 1419 CG GLU A 89 66.880 -8.636 -4.270 1.00 0.00 C ATOM 1420 CD GLU A 89 66.321 -7.583 -3.332 1.00 0.00 C ATOM 1421 OE1 GLU A 89 65.234 -7.042 -3.624 1.00 0.00 O ATOM 1422 OE2 GLU A 89 66.972 -7.298 -2.303 1.00 0.00 O ATOM 0 H GLU A 89 68.524 -6.954 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 89 69.128 -7.377 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.678 -7.157 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 89 66.935 -8.784 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 89 66.147 -9.433 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.766 -9.084 -3.820 1.00 0.00 H new ATOM 1429 N VAL A 90 70.112 -9.652 -5.090 1.00 0.00 N ATOM 1430 CA VAL A 90 70.876 -10.891 -5.244 1.00 0.00 C ATOM 1431 C VAL A 90 70.250 -12.039 -4.444 1.00 0.00 C ATOM 1432 O VAL A 90 69.731 -11.831 -3.346 1.00 0.00 O ATOM 1433 CB VAL A 90 72.341 -10.707 -4.785 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.213 -11.847 -5.289 1.00 0.00 C ATOM 1435 CG2 VAL A 90 72.893 -9.367 -5.256 1.00 0.00 C ATOM 0 H VAL A 90 70.092 -9.288 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 90 70.856 -11.140 -6.305 1.00 0.00 H new ATOM 0 HB VAL A 90 72.355 -10.720 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.239 -11.696 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.839 -12.792 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.187 -11.871 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 90 73.925 -9.261 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.858 -9.322 -6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.291 -8.559 -4.840 1.00 0.00 H new ATOM 1445 N TYR A 91 70.305 -13.248 -5.001 1.00 0.00 N ATOM 1446 CA TYR A 91 69.750 -14.428 -4.333 1.00 0.00 C ATOM 1447 C TYR A 91 70.739 -15.595 -4.369 1.00 0.00 C ATOM 1448 O TYR A 91 71.301 -15.916 -5.416 1.00 0.00 O ATOM 1449 CB TYR A 91 68.424 -14.847 -4.982 1.00 0.00 C ATOM 1450 CG TYR A 91 67.219 -14.139 -4.403 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.581 -13.127 -5.109 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.720 -14.482 -3.154 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.482 -12.476 -4.585 1.00 0.00 C ATOM 1454 CE2 TYR A 91 65.620 -13.836 -2.623 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.004 -12.834 -3.342 1.00 0.00 C ATOM 1456 OH TYR A 91 63.910 -12.186 -2.817 1.00 0.00 O ATOM 0 H TYR A 91 70.727 -13.438 -5.910 1.00 0.00 H new ATOM 0 HA TYR A 91 69.564 -14.162 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.473 -14.647 -6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.295 -15.923 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.951 -12.845 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.199 -15.267 -2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.999 -11.690 -5.146 1.00 0.00 H new ATOM 0 HE2 TYR A 91 65.245 -14.115 -1.649 1.00 0.00 H new ATOM 0 HH TYR A 91 63.701 -12.559 -1.935 1.00 0.00 H new ATOM 1466 N GLN A 92 70.942 -16.234 -3.220 1.00 0.00 N ATOM 1467 CA GLN A 92 71.868 -17.363 -3.117 1.00 0.00 C ATOM 1468 C GLN A 92 71.121 -18.697 -3.136 1.00 0.00 C ATOM 1469 O GLN A 92 70.123 -18.873 -2.435 1.00 0.00 O ATOM 1470 CB GLN A 92 72.706 -17.239 -1.835 1.00 0.00 C ATOM 1471 CG GLN A 92 73.495 -18.496 -1.486 1.00 0.00 C ATOM 1472 CD GLN A 92 74.734 -18.210 -0.656 1.00 0.00 C ATOM 1473 OE1 GLN A 92 74.881 -17.135 -0.081 1.00 0.00 O ATOM 1474 NE2 GLN A 92 75.634 -19.176 -0.588 1.00 0.00 N ATOM 0 H GLN A 92 70.478 -15.990 -2.345 1.00 0.00 H new ATOM 0 HA GLN A 92 72.531 -17.339 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.400 -16.406 -1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.045 -16.995 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 92 72.849 -19.183 -0.939 1.00 0.00 H new ATOM 0 HG3 GLN A 92 73.790 -19.000 -2.406 1.00 0.00 H new ATOM 0 HE21 GLN A 92 75.476 -20.056 -1.080 1.00 0.00 H new ATOM 0 HE22 GLN A 92 76.486 -19.042 -0.044 1.00 0.00 H new ATOM 1483 N GLU A 93 71.606 -19.632 -3.950 1.00 0.00 N ATOM 1484 CA GLU A 93 70.989 -20.954 -4.054 1.00 0.00 C ATOM 1485 C GLU A 93 71.724 -21.970 -3.174 1.00 0.00 C ATOM 1486 O GLU A 93 71.232 -22.362 -2.117 1.00 0.00 O ATOM 1487 CB GLU A 93 70.983 -21.424 -5.512 1.00 0.00 C ATOM 1488 CG GLU A 93 69.714 -21.057 -6.265 1.00 0.00 C ATOM 1489 CD GLU A 93 69.495 -21.919 -7.495 1.00 0.00 C ATOM 1490 OE1 GLU A 93 70.141 -21.656 -8.529 1.00 0.00 O ATOM 1491 OE2 GLU A 93 68.677 -22.862 -7.422 1.00 0.00 O ATOM 0 H GLU A 93 72.423 -19.500 -4.546 1.00 0.00 H new ATOM 0 HA GLU A 93 69.960 -20.878 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 93 71.840 -20.991 -6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 93 71.110 -22.506 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.858 -21.158 -5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 93 69.763 -20.010 -6.564 1.00 0.00 H new