USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 823 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 44 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -143:sc= 0.831 (180deg=-0.0151) USER MOD Set 1.3: A 63 GLN : amide:sc= -1.56! C(o=-0.73!,f=-14!) USER MOD Single : A 27 SER OG : rot -77:sc= 0.847 USER MOD Single : A 31 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-4.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -1.08 F(o=-2,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0635) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 57 ASN : amide:sc= -1.98! C(o=-2!,f=-8.2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 73 TYR OH : rot -125:sc= -0.0159 USER MOD Single : A 78 SER OG : rot 150:sc= -0.0295 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.039 F(o=-0.76,f=-0.039) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0.629 K(o=0.63,f=-0.02) USER MOD Single : A 94 MET CE :methyl -127:sc= -2.18! (180deg=-2.55!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00222) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -1.01 F(o=-2.9!,f=-1) USER MOD Single : A 105 MET CE :methyl -150:sc= -0.0809 (180deg=-1.12) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 157:sc= 1.42 (180deg=0.611) USER MOD Single : A 112 THR OG1 : rot -95:sc= 1.36 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.48) USER MOD Single : A 118 SER OG : rot 38:sc= -0.573 USER MOD Single : A 119 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00549) USER MOD Single : A 120 ASN : amide:sc= -0.272 K(o=-0.27,f=-7.8!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -114:sc= 0.783 (180deg=-0.0424) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -160:sc= -0.0491 (180deg=-0.363) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 287 N ALA A 21 4.025 7.595 7.252 1.00 0.00 N ATOM 288 CA ALA A 21 2.871 6.803 7.639 1.00 0.00 C ATOM 289 C ALA A 21 3.322 5.670 8.563 1.00 0.00 C ATOM 290 O ALA A 21 4.513 5.376 8.655 1.00 0.00 O ATOM 291 CB ALA A 21 2.162 6.286 6.386 1.00 0.00 C ATOM 0 HA ALA A 21 2.155 7.413 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.296 5.692 6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.835 7.130 5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.849 5.668 5.808 1.00 0.00 H new ATOM 297 N ALA A 22 2.346 5.065 9.224 1.00 0.00 N ATOM 298 CA ALA A 22 2.628 3.970 10.138 1.00 0.00 C ATOM 299 C ALA A 22 2.242 2.646 9.476 1.00 0.00 C ATOM 300 O ALA A 22 1.145 2.515 8.935 1.00 0.00 O ATOM 301 CB ALA A 22 1.885 4.201 11.456 1.00 0.00 C ATOM 0 H ALA A 22 1.359 5.312 9.145 1.00 0.00 H new ATOM 0 HA ALA A 22 3.693 3.926 10.367 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.096 3.380 12.141 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.216 5.139 11.901 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.813 4.248 11.266 1.00 0.00 H new ATOM 307 N VAL A 23 3.165 1.698 9.540 1.00 0.00 N ATOM 308 CA VAL A 23 2.936 0.389 8.953 1.00 0.00 C ATOM 309 C VAL A 23 1.839 -0.332 9.739 1.00 0.00 C ATOM 310 O VAL A 23 1.600 -0.023 10.905 1.00 0.00 O ATOM 311 CB VAL A 23 4.247 -0.397 8.898 1.00 0.00 C ATOM 312 CG1 VAL A 23 3.986 -1.879 8.621 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.199 0.196 7.858 1.00 0.00 C ATOM 0 H VAL A 23 4.074 1.810 9.990 1.00 0.00 H new ATOM 0 HA VAL A 23 2.589 0.487 7.924 1.00 0.00 H new ATOM 0 HB VAL A 23 4.726 -0.318 9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.934 -2.415 8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.363 -2.293 9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.474 -1.986 7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.123 -0.382 7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.730 0.162 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.423 1.231 8.118 1.00 0.00 H new ATOM 323 N ASP A 24 1.200 -1.279 9.068 1.00 0.00 N ATOM 324 CA ASP A 24 0.133 -2.046 9.689 1.00 0.00 C ATOM 325 C ASP A 24 0.743 -3.110 10.604 1.00 0.00 C ATOM 326 O ASP A 24 1.821 -3.632 10.324 1.00 0.00 O ATOM 327 CB ASP A 24 -0.717 -2.760 8.636 1.00 0.00 C ATOM 328 CG ASP A 24 -2.217 -2.796 8.932 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.829 -1.707 8.896 1.00 0.00 O ATOM 330 OD2 ASP A 24 -2.718 -3.913 9.188 1.00 0.00 O ATOM 0 H ASP A 24 1.400 -1.533 8.101 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.495 -1.356 10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.563 -2.271 7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.357 -3.784 8.534 1.00 0.00 H new ATOM 335 N PRO A 25 0.008 -3.406 11.709 1.00 0.00 N ATOM 336 CA PRO A 25 0.464 -4.398 12.668 1.00 0.00 C ATOM 337 C PRO A 25 0.279 -5.815 12.122 1.00 0.00 C ATOM 338 O PRO A 25 0.933 -6.751 12.579 1.00 0.00 O ATOM 339 CB PRO A 25 -0.350 -4.135 13.925 1.00 0.00 C ATOM 340 CG PRO A 25 -1.551 -3.317 13.479 1.00 0.00 C ATOM 341 CD PRO A 25 -1.273 -2.808 12.074 1.00 0.00 C ATOM 0 HA PRO A 25 1.531 -4.320 12.877 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.665 -5.070 14.389 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.239 -3.593 14.665 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.454 -3.927 13.492 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.719 -2.483 14.161 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.061 -3.106 11.382 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.223 -1.719 12.050 1.00 0.00 H new ATOM 349 N ASP A 26 -0.616 -5.929 11.152 1.00 0.00 N ATOM 350 CA ASP A 26 -0.896 -7.216 10.538 1.00 0.00 C ATOM 351 C ASP A 26 0.275 -7.612 9.637 1.00 0.00 C ATOM 352 O ASP A 26 0.508 -8.796 9.400 1.00 0.00 O ATOM 353 CB ASP A 26 -2.157 -7.151 9.673 1.00 0.00 C ATOM 354 CG ASP A 26 -3.430 -6.740 10.416 1.00 0.00 C ATOM 355 OD1 ASP A 26 -3.410 -6.819 11.663 1.00 0.00 O ATOM 356 OD2 ASP A 26 -4.394 -6.355 9.719 1.00 0.00 O ATOM 0 H ASP A 26 -1.157 -5.151 10.776 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.042 -7.945 11.335 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.985 -6.446 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.319 -8.129 9.219 1.00 0.00 H new ATOM 361 N SER A 27 0.982 -6.598 9.159 1.00 0.00 N ATOM 362 CA SER A 27 2.124 -6.826 8.290 1.00 0.00 C ATOM 363 C SER A 27 3.337 -7.251 9.119 1.00 0.00 C ATOM 364 O SER A 27 4.214 -7.958 8.625 1.00 0.00 O ATOM 365 CB SER A 27 2.452 -5.575 7.473 1.00 0.00 C ATOM 366 OG SER A 27 3.059 -4.561 8.269 1.00 0.00 O ATOM 0 H SER A 27 0.786 -5.617 9.357 1.00 0.00 H new ATOM 0 HA SER A 27 1.870 -7.626 7.594 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.120 -5.842 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.538 -5.185 7.024 1.00 0.00 H new ATOM 0 HG SER A 27 2.372 -4.109 8.803 1.00 0.00 H new ATOM 372 N GLY A 28 3.348 -6.803 10.366 1.00 0.00 N ATOM 373 CA GLY A 28 4.439 -7.129 11.269 1.00 0.00 C ATOM 374 C GLY A 28 5.654 -6.238 11.004 1.00 0.00 C ATOM 375 O GLY A 28 6.642 -6.296 11.734 1.00 0.00 O ATOM 0 H GLY A 28 2.619 -6.217 10.772 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.111 -7.005 12.301 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.717 -8.176 11.146 1.00 0.00 H new ATOM 379 N LEU A 29 5.542 -5.435 9.956 1.00 0.00 N ATOM 380 CA LEU A 29 6.619 -4.534 9.585 1.00 0.00 C ATOM 381 C LEU A 29 6.440 -3.202 10.317 1.00 0.00 C ATOM 382 O LEU A 29 6.995 -2.184 9.906 1.00 0.00 O ATOM 383 CB LEU A 29 6.701 -4.393 8.063 1.00 0.00 C ATOM 384 CG LEU A 29 7.102 -5.653 7.294 1.00 0.00 C ATOM 385 CD1 LEU A 29 7.649 -6.723 8.241 1.00 0.00 C ATOM 386 CD2 LEU A 29 5.937 -6.176 6.451 1.00 0.00 C ATOM 0 H LEU A 29 4.721 -5.390 9.352 1.00 0.00 H new ATOM 0 HA LEU A 29 7.580 -4.943 9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.730 -4.061 7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.417 -3.605 7.829 1.00 0.00 H new ATOM 0 HG LEU A 29 7.905 -5.391 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.926 -7.608 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.526 -6.336 8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.884 -6.988 8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.249 -7.072 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.096 -6.417 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.634 -5.412 5.735 1.00 0.00 H new ATOM 398 N GLU A 30 5.662 -3.253 11.388 1.00 0.00 N ATOM 399 CA GLU A 30 5.402 -2.064 12.181 1.00 0.00 C ATOM 400 C GLU A 30 6.515 -1.858 13.210 1.00 0.00 C ATOM 401 O GLU A 30 6.727 -0.744 13.686 1.00 0.00 O ATOM 402 CB GLU A 30 4.034 -2.146 12.862 1.00 0.00 C ATOM 403 CG GLU A 30 3.845 -3.500 13.550 1.00 0.00 C ATOM 404 CD GLU A 30 2.900 -3.379 14.747 1.00 0.00 C ATOM 405 OE1 GLU A 30 2.082 -2.433 14.731 1.00 0.00 O ATOM 406 OE2 GLU A 30 3.016 -4.234 15.650 1.00 0.00 O ATOM 0 H GLU A 30 5.203 -4.099 11.725 1.00 0.00 H new ATOM 0 HA GLU A 30 5.387 -1.203 11.513 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.940 -1.345 13.595 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.246 -1.996 12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.445 -4.221 12.838 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.811 -3.882 13.882 1.00 0.00 H new ATOM 413 N HIS A 31 7.196 -2.950 13.524 1.00 0.00 N ATOM 414 CA HIS A 31 8.282 -2.904 14.488 1.00 0.00 C ATOM 415 C HIS A 31 9.582 -3.354 13.818 1.00 0.00 C ATOM 416 O HIS A 31 10.589 -3.569 14.492 1.00 0.00 O ATOM 417 CB HIS A 31 7.940 -3.727 15.732 1.00 0.00 C ATOM 418 CG HIS A 31 7.331 -5.075 15.428 1.00 0.00 C ATOM 419 ND1 HIS A 31 7.521 -5.729 14.223 1.00 0.00 N ATOM 420 CD2 HIS A 31 6.536 -5.884 16.184 1.00 0.00 C ATOM 421 CE1 HIS A 31 6.864 -6.879 14.263 1.00 0.00 C ATOM 422 NE2 HIS A 31 6.254 -6.973 15.479 1.00 0.00 N ATOM 0 H HIS A 31 7.017 -3.873 13.128 1.00 0.00 H new ATOM 0 HA HIS A 31 8.426 -1.879 14.830 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.847 -3.873 16.319 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.247 -3.158 16.352 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.194 -5.675 17.187 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.819 -7.613 13.472 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.676 -7.752 15.795 1.00 0.00 H new ATOM 430 N SER A 32 9.519 -3.482 12.501 1.00 0.00 N ATOM 431 CA SER A 32 10.678 -3.902 11.733 1.00 0.00 C ATOM 432 C SER A 32 10.917 -2.934 10.573 1.00 0.00 C ATOM 433 O SER A 32 11.968 -2.299 10.496 1.00 0.00 O ATOM 434 CB SER A 32 10.503 -5.328 11.207 1.00 0.00 C ATOM 435 OG SER A 32 11.750 -6.004 11.070 1.00 0.00 O ATOM 0 H SER A 32 8.682 -3.302 11.946 1.00 0.00 H new ATOM 0 HA SER A 32 11.546 -3.890 12.392 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.860 -5.888 11.886 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.999 -5.299 10.241 1.00 0.00 H new ATOM 0 HG SER A 32 11.595 -6.911 10.734 1.00 0.00 H new ATOM 441 N ALA A 33 9.924 -2.850 9.700 1.00 0.00 N ATOM 442 CA ALA A 33 10.012 -1.969 8.548 1.00 0.00 C ATOM 443 C ALA A 33 9.165 -0.721 8.799 1.00 0.00 C ATOM 444 O ALA A 33 8.678 -0.510 9.909 1.00 0.00 O ATOM 445 CB ALA A 33 9.577 -2.727 7.292 1.00 0.00 C ATOM 0 H ALA A 33 9.054 -3.378 9.767 1.00 0.00 H new ATOM 0 HA ALA A 33 11.040 -1.642 8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.643 -2.067 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.229 -3.587 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.549 -3.068 7.411 1.00 0.00 H new ATOM 451 N HIS A 34 9.014 0.074 7.750 1.00 0.00 N ATOM 452 CA HIS A 34 8.233 1.296 7.843 1.00 0.00 C ATOM 453 C HIS A 34 7.680 1.658 6.463 1.00 0.00 C ATOM 454 O HIS A 34 8.219 1.231 5.443 1.00 0.00 O ATOM 455 CB HIS A 34 9.060 2.423 8.465 1.00 0.00 C ATOM 456 CG HIS A 34 10.250 2.842 7.634 1.00 0.00 C ATOM 457 ND1 HIS A 34 10.352 3.128 6.304 1.00 0.00 N flip ATOM 458 CD2 HIS A 34 11.516 3.005 8.168 1.00 0.00 C flip ATOM 459 CE1 HIS A 34 11.612 3.450 6.040 1.00 0.00 C flip ATOM 460 NE2 HIS A 34 12.336 3.373 7.194 1.00 0.00 N flip ATOM 0 H HIS A 34 9.419 -0.104 6.831 1.00 0.00 H new ATOM 0 HA HIS A 34 7.383 1.139 8.507 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.416 3.289 8.622 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.410 2.104 9.447 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.789 2.857 9.202 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.000 3.727 5.071 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.333 3.565 7.290 1.00 0.00 H new ATOM 468 N VAL A 35 6.612 2.441 6.476 1.00 0.00 N ATOM 469 CA VAL A 35 5.980 2.865 5.238 1.00 0.00 C ATOM 470 C VAL A 35 7.040 3.451 4.304 1.00 0.00 C ATOM 471 O VAL A 35 7.843 4.286 4.717 1.00 0.00 O ATOM 472 CB VAL A 35 4.843 3.844 5.540 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.263 4.425 4.249 1.00 0.00 C ATOM 474 CG2 VAL A 35 3.752 3.175 6.379 1.00 0.00 C ATOM 0 H VAL A 35 6.168 2.793 7.324 1.00 0.00 H new ATOM 0 HA VAL A 35 5.531 2.013 4.727 1.00 0.00 H new ATOM 0 HB VAL A 35 5.256 4.668 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.457 5.117 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.045 4.955 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.873 3.617 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.956 3.892 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.344 2.324 5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.177 2.832 7.322 1.00 0.00 H new ATOM 484 N LEU A 36 7.009 2.990 3.062 1.00 0.00 N ATOM 485 CA LEU A 36 7.957 3.458 2.066 1.00 0.00 C ATOM 486 C LEU A 36 7.659 4.921 1.731 1.00 0.00 C ATOM 487 O LEU A 36 6.532 5.384 1.905 1.00 0.00 O ATOM 488 CB LEU A 36 7.953 2.534 0.846 1.00 0.00 C ATOM 489 CG LEU A 36 8.710 3.042 -0.383 1.00 0.00 C ATOM 490 CD1 LEU A 36 10.193 3.244 -0.068 1.00 0.00 C ATOM 491 CD2 LEU A 36 8.499 2.112 -1.579 1.00 0.00 C ATOM 0 H LEU A 36 6.342 2.297 2.723 1.00 0.00 H new ATOM 0 HA LEU A 36 8.972 3.422 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.380 1.575 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.918 2.348 0.559 1.00 0.00 H new ATOM 0 HG LEU A 36 8.304 4.016 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.708 3.605 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.298 3.975 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.631 2.296 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.047 2.496 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.862 1.114 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.437 2.063 -1.819 1.00 0.00 H new ATOM 503 N GLU A 37 8.687 5.607 1.255 1.00 0.00 N ATOM 504 CA GLU A 37 8.549 7.008 0.894 1.00 0.00 C ATOM 505 C GLU A 37 9.343 7.309 -0.379 1.00 0.00 C ATOM 506 O GLU A 37 10.530 6.998 -0.462 1.00 0.00 O ATOM 507 CB GLU A 37 8.989 7.917 2.043 1.00 0.00 C ATOM 508 CG GLU A 37 7.796 8.319 2.912 1.00 0.00 C ATOM 509 CD GLU A 37 8.252 8.723 4.316 1.00 0.00 C ATOM 510 OE1 GLU A 37 8.774 7.833 5.021 1.00 0.00 O ATOM 511 OE2 GLU A 37 8.068 9.913 4.651 1.00 0.00 O ATOM 0 H GLU A 37 9.619 5.219 1.111 1.00 0.00 H new ATOM 0 HA GLU A 37 7.496 7.210 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.732 7.403 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.468 8.810 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.265 9.149 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.094 7.488 2.979 1.00 0.00 H new ATOM 518 N LYS A 38 8.656 7.910 -1.339 1.00 0.00 N ATOM 519 CA LYS A 38 9.283 8.257 -2.603 1.00 0.00 C ATOM 520 C LYS A 38 8.715 9.587 -3.101 1.00 0.00 C ATOM 521 O LYS A 38 7.542 9.886 -2.885 1.00 0.00 O ATOM 522 CB LYS A 38 9.134 7.111 -3.606 1.00 0.00 C ATOM 523 CG LYS A 38 10.042 7.323 -4.820 1.00 0.00 C ATOM 524 CD LYS A 38 10.468 5.985 -5.427 1.00 0.00 C ATOM 525 CE LYS A 38 10.948 6.165 -6.868 1.00 0.00 C ATOM 526 NZ LYS A 38 12.127 7.059 -6.914 1.00 0.00 N ATOM 0 H LYS A 38 7.671 8.166 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 38 10.356 8.398 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.381 6.166 -3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.096 7.040 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.519 7.917 -5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.925 7.889 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.265 5.546 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.631 5.288 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.202 5.196 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.145 6.581 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.552 7.024 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.832 8.034 -6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.826 6.748 -6.210 1.00 0.00 H new ATOM 540 N GLY A 39 9.575 10.352 -3.759 1.00 0.00 N ATOM 541 CA GLY A 39 9.174 11.644 -4.289 1.00 0.00 C ATOM 542 C GLY A 39 8.431 12.464 -3.232 1.00 0.00 C ATOM 543 O GLY A 39 7.434 13.116 -3.536 1.00 0.00 O ATOM 0 H GLY A 39 10.548 10.101 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.054 12.191 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.534 11.501 -5.160 1.00 0.00 H new ATOM 547 N GLY A 40 8.945 12.403 -2.013 1.00 0.00 N ATOM 548 CA GLY A 40 8.343 13.132 -0.910 1.00 0.00 C ATOM 549 C GLY A 40 6.883 12.720 -0.713 1.00 0.00 C ATOM 550 O GLY A 40 6.030 13.560 -0.430 1.00 0.00 O ATOM 0 H GLY A 40 9.772 11.860 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.905 12.943 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.399 14.203 -1.103 1.00 0.00 H new ATOM 554 N LYS A 41 6.639 11.427 -0.870 1.00 0.00 N ATOM 555 CA LYS A 41 5.297 10.894 -0.714 1.00 0.00 C ATOM 556 C LYS A 41 5.352 9.628 0.144 1.00 0.00 C ATOM 557 O LYS A 41 6.424 9.060 0.349 1.00 0.00 O ATOM 558 CB LYS A 41 4.641 10.683 -2.080 1.00 0.00 C ATOM 559 CG LYS A 41 4.094 12.000 -2.635 1.00 0.00 C ATOM 560 CD LYS A 41 2.634 12.203 -2.227 1.00 0.00 C ATOM 561 CE LYS A 41 1.689 11.834 -3.373 1.00 0.00 C ATOM 562 NZ LYS A 41 0.587 12.817 -3.473 1.00 0.00 N ATOM 0 H LYS A 41 7.349 10.733 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 41 4.663 11.608 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.368 10.265 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.832 9.958 -1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.697 12.831 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.175 12.002 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.408 11.592 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.474 13.242 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.242 11.802 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.281 10.837 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.045 12.552 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.050 12.828 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.981 13.763 -3.651 1.00 0.00 H new ATOM 576 N VAL A 42 4.184 9.223 0.621 1.00 0.00 N ATOM 577 CA VAL A 42 4.087 8.034 1.451 1.00 0.00 C ATOM 578 C VAL A 42 3.208 6.998 0.748 1.00 0.00 C ATOM 579 O VAL A 42 2.169 7.339 0.186 1.00 0.00 O ATOM 580 CB VAL A 42 3.573 8.409 2.843 1.00 0.00 C ATOM 581 CG1 VAL A 42 3.042 7.179 3.581 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.661 9.111 3.658 1.00 0.00 C ATOM 0 H VAL A 42 3.297 9.697 0.449 1.00 0.00 H new ATOM 0 HA VAL A 42 5.070 7.584 1.592 1.00 0.00 H new ATOM 0 HB VAL A 42 2.745 9.107 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.683 7.473 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.222 6.739 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.842 6.446 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.270 9.367 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.518 8.447 3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.971 10.020 3.143 1.00 0.00 H new ATOM 592 N PHE A 43 3.658 5.753 0.804 1.00 0.00 N ATOM 593 CA PHE A 43 2.925 4.664 0.180 1.00 0.00 C ATOM 594 C PHE A 43 1.832 4.135 1.110 1.00 0.00 C ATOM 595 O PHE A 43 1.795 2.944 1.416 1.00 0.00 O ATOM 596 CB PHE A 43 3.933 3.545 -0.092 1.00 0.00 C ATOM 597 CG PHE A 43 4.796 3.773 -1.335 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.440 4.958 -1.508 1.00 0.00 C ATOM 599 CD2 PHE A 43 4.919 2.790 -2.267 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.240 5.170 -2.661 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.719 3.001 -3.420 1.00 0.00 C ATOM 602 CZ PHE A 43 6.363 4.187 -3.593 1.00 0.00 C ATOM 0 H PHE A 43 4.521 5.474 1.272 1.00 0.00 H new ATOM 0 HA PHE A 43 2.447 5.013 -0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.584 3.438 0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.394 2.604 -0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.343 5.738 -0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.408 1.849 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.751 6.112 -2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.817 2.220 -4.160 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.972 4.348 -4.470 1.00 0.00 H new ATOM 612 N SER A 44 0.968 5.045 1.533 1.00 0.00 N ATOM 613 CA SER A 44 -0.124 4.685 2.422 1.00 0.00 C ATOM 614 C SER A 44 -1.445 5.231 1.876 1.00 0.00 C ATOM 615 O SER A 44 -1.765 6.402 2.072 1.00 0.00 O ATOM 616 CB SER A 44 0.123 5.210 3.837 1.00 0.00 C ATOM 617 OG SER A 44 -0.281 4.272 4.832 1.00 0.00 O ATOM 0 H SER A 44 1.002 6.032 1.277 1.00 0.00 H new ATOM 0 HA SER A 44 -0.181 3.598 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.182 5.436 3.960 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.421 6.144 3.977 1.00 0.00 H new ATOM 0 HG SER A 44 -0.411 4.736 5.685 1.00 0.00 H new ATOM 623 N ALA A 45 -2.177 4.356 1.202 1.00 0.00 N ATOM 624 CA ALA A 45 -3.456 4.735 0.627 1.00 0.00 C ATOM 625 C ALA A 45 -4.562 3.874 1.240 1.00 0.00 C ATOM 626 O ALA A 45 -4.350 2.697 1.526 1.00 0.00 O ATOM 627 CB ALA A 45 -3.391 4.603 -0.896 1.00 0.00 C ATOM 0 H ALA A 45 -1.908 3.385 1.041 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.685 5.776 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.351 4.887 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.610 5.257 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.165 3.570 -1.162 1.00 0.00 H new ATOM 633 N THR A 46 -5.718 4.495 1.424 1.00 0.00 N ATOM 634 CA THR A 46 -6.857 3.800 1.998 1.00 0.00 C ATOM 635 C THR A 46 -8.043 3.830 1.031 1.00 0.00 C ATOM 636 O THR A 46 -8.780 4.813 0.977 1.00 0.00 O ATOM 637 CB THR A 46 -7.164 4.436 3.355 1.00 0.00 C ATOM 638 OG1 THR A 46 -5.980 4.217 4.117 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.248 3.679 4.125 1.00 0.00 C ATOM 0 H THR A 46 -5.890 5.472 1.186 1.00 0.00 H new ATOM 0 HA THR A 46 -6.636 2.745 2.160 1.00 0.00 H new ATOM 0 HB THR A 46 -7.478 5.470 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.092 4.600 5.012 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.427 4.172 5.080 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.169 3.670 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.921 2.654 4.301 1.00 0.00 H new ATOM 647 N LEU A 47 -8.189 2.740 0.292 1.00 0.00 N ATOM 648 CA LEU A 47 -9.272 2.629 -0.670 1.00 0.00 C ATOM 649 C LEU A 47 -10.555 2.222 0.057 1.00 0.00 C ATOM 650 O LEU A 47 -10.504 1.522 1.068 1.00 0.00 O ATOM 651 CB LEU A 47 -8.883 1.682 -1.808 1.00 0.00 C ATOM 652 CG LEU A 47 -8.438 2.348 -3.111 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.761 3.692 -2.837 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.543 1.412 -3.926 1.00 0.00 C ATOM 0 H LEU A 47 -7.576 1.926 0.340 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.464 3.593 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.076 1.038 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.735 1.037 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.325 2.551 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.454 4.144 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.461 4.355 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.885 3.536 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.240 1.909 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.658 1.157 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.093 0.502 -4.168 1.00 0.00 H new ATOM 666 N GLY A 48 -11.675 2.676 -0.485 1.00 0.00 N ATOM 667 CA GLY A 48 -12.969 2.368 0.100 1.00 0.00 C ATOM 668 C GLY A 48 -14.084 2.493 -0.940 1.00 0.00 C ATOM 669 O GLY A 48 -14.171 3.497 -1.645 1.00 0.00 O ATOM 0 H GLY A 48 -11.713 3.255 -1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.957 1.357 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.166 3.043 0.933 1.00 0.00 H new ATOM 673 N LEU A 49 -14.910 1.458 -1.002 1.00 0.00 N ATOM 674 CA LEU A 49 -16.016 1.439 -1.944 1.00 0.00 C ATOM 675 C LEU A 49 -17.314 1.135 -1.193 1.00 0.00 C ATOM 676 O LEU A 49 -17.305 0.411 -0.199 1.00 0.00 O ATOM 677 CB LEU A 49 -15.727 0.468 -3.090 1.00 0.00 C ATOM 678 CG LEU A 49 -16.651 0.571 -4.305 1.00 0.00 C ATOM 679 CD1 LEU A 49 -15.966 1.314 -5.454 1.00 0.00 C ATOM 680 CD2 LEU A 49 -17.150 -0.811 -4.733 1.00 0.00 C ATOM 0 H LEU A 49 -14.835 0.627 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.137 2.417 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.701 0.626 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.783 -0.549 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 49 -17.526 1.156 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.645 1.373 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -15.702 2.321 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.063 0.778 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.805 -0.709 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.299 -1.440 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -17.702 -1.269 -3.912 1.00 0.00 H new ATOM 692 N VAL A 50 -18.399 1.704 -1.697 1.00 0.00 N ATOM 693 CA VAL A 50 -19.702 1.503 -1.087 1.00 0.00 C ATOM 694 C VAL A 50 -20.772 1.461 -2.180 1.00 0.00 C ATOM 695 O VAL A 50 -20.926 2.415 -2.940 1.00 0.00 O ATOM 696 CB VAL A 50 -19.962 2.586 -0.038 1.00 0.00 C ATOM 697 CG1 VAL A 50 -21.347 2.421 0.590 1.00 0.00 C ATOM 698 CG2 VAL A 50 -18.870 2.584 1.034 1.00 0.00 C ATOM 0 H VAL A 50 -18.402 2.305 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.734 0.548 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.936 3.552 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -21.506 3.204 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -22.109 2.496 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -21.414 1.445 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.079 3.363 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -18.850 1.614 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -17.903 2.774 0.568 1.00 0.00 H new ATOM 708 N ASP A 51 -21.484 0.344 -2.225 1.00 0.00 N ATOM 709 CA ASP A 51 -22.534 0.165 -3.212 1.00 0.00 C ATOM 710 C ASP A 51 -23.871 0.606 -2.613 1.00 0.00 C ATOM 711 O ASP A 51 -24.227 0.197 -1.509 1.00 0.00 O ATOM 712 CB ASP A 51 -22.661 -1.304 -3.621 1.00 0.00 C ATOM 713 CG ASP A 51 -22.341 -1.596 -5.088 1.00 0.00 C ATOM 714 OD1 ASP A 51 -22.869 -0.853 -5.944 1.00 0.00 O ATOM 715 OD2 ASP A 51 -21.576 -2.557 -5.322 1.00 0.00 O ATOM 0 H ASP A 51 -21.354 -0.446 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.279 0.762 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.997 -1.899 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.678 -1.637 -3.413 1.00 0.00 H new ATOM 720 N ILE A 52 -24.577 1.436 -3.369 1.00 0.00 N ATOM 721 CA ILE A 52 -25.867 1.937 -2.927 1.00 0.00 C ATOM 722 C ILE A 52 -26.965 0.970 -3.373 1.00 0.00 C ATOM 723 O ILE A 52 -27.965 0.797 -2.678 1.00 0.00 O ATOM 724 CB ILE A 52 -26.078 3.373 -3.410 1.00 0.00 C ATOM 725 CG1 ILE A 52 -27.469 3.882 -3.028 1.00 0.00 C ATOM 726 CG2 ILE A 52 -25.818 3.489 -4.914 1.00 0.00 C ATOM 727 CD1 ILE A 52 -27.382 5.230 -2.311 1.00 0.00 C ATOM 0 H ILE A 52 -24.279 1.773 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.905 1.983 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 52 -25.353 4.012 -2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -28.082 3.981 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.962 3.154 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -25.975 4.520 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -24.791 3.195 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -26.503 2.835 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.385 5.569 -2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.788 5.122 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.911 5.962 -2.967 1.00 0.00 H new ATOM 739 N VAL A 53 -26.742 0.365 -4.531 1.00 0.00 N ATOM 740 CA VAL A 53 -27.700 -0.580 -5.079 1.00 0.00 C ATOM 741 C VAL A 53 -27.531 -1.932 -4.383 1.00 0.00 C ATOM 742 O VAL A 53 -28.493 -2.485 -3.852 1.00 0.00 O ATOM 743 CB VAL A 53 -27.541 -0.665 -6.598 1.00 0.00 C ATOM 744 CG1 VAL A 53 -27.714 0.711 -7.245 1.00 0.00 C ATOM 745 CG2 VAL A 53 -26.193 -1.283 -6.974 1.00 0.00 C ATOM 0 H VAL A 53 -25.911 0.511 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.719 -0.243 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 53 -28.326 -1.316 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -27.596 0.623 -8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -28.708 1.097 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.961 1.395 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -26.105 -1.332 -8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -25.387 -0.669 -6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -26.125 -2.289 -6.559 1.00 0.00 H new ATOM 755 N LYS A 54 -26.302 -2.425 -4.409 1.00 0.00 N ATOM 756 CA LYS A 54 -25.994 -3.702 -3.787 1.00 0.00 C ATOM 757 C LYS A 54 -26.105 -3.564 -2.267 1.00 0.00 C ATOM 758 O LYS A 54 -26.377 -4.541 -1.570 1.00 0.00 O ATOM 759 CB LYS A 54 -24.632 -4.214 -4.260 1.00 0.00 C ATOM 760 CG LYS A 54 -24.754 -4.933 -5.605 1.00 0.00 C ATOM 761 CD LYS A 54 -25.389 -6.314 -5.433 1.00 0.00 C ATOM 762 CE LYS A 54 -24.874 -7.290 -6.493 1.00 0.00 C ATOM 763 NZ LYS A 54 -25.893 -8.323 -6.785 1.00 0.00 N ATOM 0 H LYS A 54 -25.507 -1.963 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.717 -4.459 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.937 -3.379 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.217 -4.894 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -25.357 -4.334 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.768 -5.036 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -25.165 -6.700 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -26.473 -6.231 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.626 -6.748 -7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -23.957 -7.764 -6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -25.527 -8.977 -7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -26.110 -8.852 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -26.758 -7.867 -7.138 1.00 0.00 H new ATOM 777 N GLY A 55 -25.889 -2.344 -1.798 1.00 0.00 N ATOM 778 CA GLY A 55 -25.962 -2.066 -0.374 1.00 0.00 C ATOM 779 C GLY A 55 -24.807 -2.735 0.375 1.00 0.00 C ATOM 780 O GLY A 55 -25.003 -3.295 1.452 1.00 0.00 O ATOM 0 H GLY A 55 -25.663 -1.537 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.933 -0.989 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.913 -2.424 0.022 1.00 0.00 H new ATOM 784 N THR A 56 -23.629 -2.654 -0.226 1.00 0.00 N ATOM 785 CA THR A 56 -22.443 -3.245 0.371 1.00 0.00 C ATOM 786 C THR A 56 -21.391 -2.168 0.643 1.00 0.00 C ATOM 787 O THR A 56 -21.397 -1.114 0.008 1.00 0.00 O ATOM 788 CB THR A 56 -21.950 -4.356 -0.559 1.00 0.00 C ATOM 789 OG1 THR A 56 -22.073 -3.797 -1.864 1.00 0.00 O ATOM 790 CG2 THR A 56 -22.890 -5.563 -0.579 1.00 0.00 C ATOM 0 H THR A 56 -23.470 -2.188 -1.120 1.00 0.00 H new ATOM 0 HA THR A 56 -22.667 -3.689 1.341 1.00 0.00 H new ATOM 0 HB THR A 56 -20.956 -4.676 -0.247 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.773 -4.451 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.494 -6.322 -1.254 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.971 -5.978 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.876 -5.251 -0.923 1.00 0.00 H new ATOM 798 N ASN A 57 -20.512 -2.470 1.587 1.00 0.00 N ATOM 799 CA ASN A 57 -19.456 -1.542 1.952 1.00 0.00 C ATOM 800 C ASN A 57 -18.115 -2.279 1.960 1.00 0.00 C ATOM 801 O ASN A 57 -17.861 -3.104 2.836 1.00 0.00 O ATOM 802 CB ASN A 57 -19.687 -0.965 3.350 1.00 0.00 C ATOM 803 CG ASN A 57 -20.820 0.063 3.339 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.770 -0.031 2.580 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.667 1.046 4.221 1.00 0.00 N ATOM 0 H ASN A 57 -20.510 -3.345 2.111 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.454 -0.731 1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.928 -1.770 4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.771 -0.498 3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.370 1.782 4.292 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.847 1.064 4.827 1.00 0.00 H new ATOM 812 N SER A 58 -17.292 -1.954 0.974 1.00 0.00 N ATOM 813 CA SER A 58 -15.983 -2.575 0.856 1.00 0.00 C ATOM 814 C SER A 58 -14.888 -1.550 1.158 1.00 0.00 C ATOM 815 O SER A 58 -15.077 -0.353 0.943 1.00 0.00 O ATOM 816 CB SER A 58 -15.780 -3.172 -0.538 1.00 0.00 C ATOM 817 OG SER A 58 -16.704 -4.223 -0.808 1.00 0.00 O ATOM 0 H SER A 58 -17.506 -1.269 0.249 1.00 0.00 H new ATOM 0 HA SER A 58 -15.923 -3.386 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.892 -2.389 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.762 -3.553 -0.625 1.00 0.00 H new ATOM 0 HG SER A 58 -16.543 -4.577 -1.708 1.00 0.00 H new ATOM 823 N TYR A 59 -13.768 -2.056 1.653 1.00 0.00 N ATOM 824 CA TYR A 59 -12.643 -1.199 1.987 1.00 0.00 C ATOM 825 C TYR A 59 -11.315 -1.915 1.734 1.00 0.00 C ATOM 826 O TYR A 59 -11.103 -3.026 2.216 1.00 0.00 O ATOM 827 CB TYR A 59 -12.771 -0.899 3.482 1.00 0.00 C ATOM 828 CG TYR A 59 -12.194 -1.990 4.386 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.845 -2.004 4.677 1.00 0.00 C ATOM 830 CD2 TYR A 59 -13.024 -2.961 4.912 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.303 -3.031 5.529 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.481 -3.988 5.763 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.148 -3.972 6.030 1.00 0.00 C ATOM 834 OH TYR A 59 -10.635 -4.942 6.834 1.00 0.00 O ATOM 0 H TYR A 59 -13.615 -3.049 1.831 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.654 -0.296 1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.266 0.042 3.698 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.824 -0.759 3.725 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.196 -1.245 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.080 -2.950 4.685 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.249 -3.054 5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.118 -4.754 6.180 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.353 -5.544 7.119 1.00 0.00 H new ATOM 844 N TYR A 60 -10.455 -1.248 0.978 1.00 0.00 N ATOM 845 CA TYR A 60 -9.153 -1.806 0.655 1.00 0.00 C ATOM 846 C TYR A 60 -8.027 -0.907 1.171 1.00 0.00 C ATOM 847 O TYR A 60 -8.021 0.295 0.913 1.00 0.00 O ATOM 848 CB TYR A 60 -9.085 -1.863 -0.872 1.00 0.00 C ATOM 849 CG TYR A 60 -7.832 -2.552 -1.415 1.00 0.00 C ATOM 850 CD1 TYR A 60 -6.668 -1.830 -1.590 1.00 0.00 C ATOM 851 CD2 TYR A 60 -7.864 -3.895 -1.729 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.488 -2.479 -2.101 1.00 0.00 C ATOM 853 CE2 TYR A 60 -6.684 -4.544 -2.239 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.555 -3.803 -2.400 1.00 0.00 C ATOM 855 OH TYR A 60 -4.440 -4.416 -2.882 1.00 0.00 O ATOM 0 H TYR A 60 -10.635 -0.326 0.580 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.031 -2.786 1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.965 -2.387 -1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.128 -0.847 -1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.642 -0.779 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.774 -4.460 -1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.571 -1.926 -2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.695 -5.595 -2.488 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.634 -5.362 -3.051 1.00 0.00 H new ATOM 865 N LYS A 61 -7.102 -1.525 1.890 1.00 0.00 N ATOM 866 CA LYS A 61 -5.974 -0.796 2.444 1.00 0.00 C ATOM 867 C LYS A 61 -4.684 -1.278 1.778 1.00 0.00 C ATOM 868 O LYS A 61 -4.527 -2.468 1.510 1.00 0.00 O ATOM 869 CB LYS A 61 -5.959 -0.912 3.970 1.00 0.00 C ATOM 870 CG LYS A 61 -6.138 0.459 4.626 1.00 0.00 C ATOM 871 CD LYS A 61 -4.785 1.124 4.885 1.00 0.00 C ATOM 872 CE LYS A 61 -4.524 1.269 6.386 1.00 0.00 C ATOM 873 NZ LYS A 61 -4.262 -0.054 6.997 1.00 0.00 N ATOM 0 H LYS A 61 -7.111 -2.523 2.102 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.065 0.269 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.755 -1.581 4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.018 -1.355 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.744 1.097 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.679 0.348 5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.991 0.531 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.762 2.106 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.671 1.928 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.384 1.735 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.687 -0.088 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.679 -0.799 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.236 -0.205 7.071 1.00 0.00 H new ATOM 887 N LEU A 62 -3.794 -0.328 1.530 1.00 0.00 N ATOM 888 CA LEU A 62 -2.522 -0.641 0.900 1.00 0.00 C ATOM 889 C LEU A 62 -1.412 0.168 1.574 1.00 0.00 C ATOM 890 O LEU A 62 -1.547 1.376 1.764 1.00 0.00 O ATOM 891 CB LEU A 62 -2.607 -0.428 -0.612 1.00 0.00 C ATOM 892 CG LEU A 62 -1.550 -1.149 -1.452 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.962 -2.597 -1.725 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.259 -0.382 -2.743 1.00 0.00 C ATOM 0 H LEU A 62 -3.928 0.658 1.754 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.277 -1.694 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.592 -0.750 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.535 0.641 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.622 -1.180 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.194 -3.087 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.078 -3.127 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.908 -2.610 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.505 -0.916 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.174 -0.297 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.891 0.615 -2.499 1.00 0.00 H new ATOM 906 N GLN A 63 -0.339 -0.530 1.916 1.00 0.00 N ATOM 907 CA GLN A 63 0.794 0.108 2.564 1.00 0.00 C ATOM 908 C GLN A 63 2.085 -0.647 2.241 1.00 0.00 C ATOM 909 O GLN A 63 2.188 -1.846 2.497 1.00 0.00 O ATOM 910 CB GLN A 63 0.578 0.203 4.076 1.00 0.00 C ATOM 911 CG GLN A 63 -0.794 0.799 4.398 1.00 0.00 C ATOM 912 CD GLN A 63 -0.944 1.049 5.900 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.892 0.619 6.536 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.042 1.767 6.430 1.00 0.00 N ATOM 0 H GLN A 63 -0.230 -1.532 1.756 1.00 0.00 H new ATOM 0 HA GLN A 63 0.884 1.123 2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.661 -0.788 4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.359 0.819 4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.924 1.735 3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.578 0.122 4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.807 2.096 5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.034 1.988 7.426 1.00 0.00 H new ATOM 923 N LEU A 64 3.037 0.086 1.683 1.00 0.00 N ATOM 924 CA LEU A 64 4.317 -0.499 1.322 1.00 0.00 C ATOM 925 C LEU A 64 5.338 -0.200 2.422 1.00 0.00 C ATOM 926 O LEU A 64 5.497 0.949 2.831 1.00 0.00 O ATOM 927 CB LEU A 64 4.751 -0.023 -0.066 1.00 0.00 C ATOM 928 CG LEU A 64 6.202 -0.318 -0.452 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.645 -1.682 0.081 1.00 0.00 C ATOM 930 CD2 LEU A 64 6.401 -0.202 -1.965 1.00 0.00 C ATOM 0 H LEU A 64 2.948 1.080 1.472 1.00 0.00 H new ATOM 0 HA LEU A 64 4.234 -1.583 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.098 -0.484 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.592 1.054 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 64 6.839 0.433 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.680 -1.867 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.564 -1.692 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.007 -2.461 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.441 -0.416 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.752 -0.916 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.152 0.809 -2.288 1.00 0.00 H new ATOM 942 N LEU A 65 6.004 -1.255 2.869 1.00 0.00 N ATOM 943 CA LEU A 65 7.005 -1.120 3.913 1.00 0.00 C ATOM 944 C LEU A 65 8.379 -1.487 3.348 1.00 0.00 C ATOM 945 O LEU A 65 8.496 -2.413 2.547 1.00 0.00 O ATOM 946 CB LEU A 65 6.609 -1.937 5.145 1.00 0.00 C ATOM 947 CG LEU A 65 5.114 -2.222 5.307 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.275 -1.031 4.843 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.722 -3.515 4.588 1.00 0.00 C ATOM 0 H LEU A 65 5.870 -2.207 2.527 1.00 0.00 H new ATOM 0 HA LEU A 65 7.065 -0.085 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.139 -2.889 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.957 -1.410 6.033 1.00 0.00 H new ATOM 0 HG LEU A 65 4.907 -2.367 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.217 -1.260 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.529 -0.153 5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.480 -0.829 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.655 -3.695 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.947 -3.423 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.284 -4.349 5.007 1.00 0.00 H new ATOM 961 N GLU A 66 9.383 -0.743 3.787 1.00 0.00 N ATOM 962 CA GLU A 66 10.743 -0.979 3.335 1.00 0.00 C ATOM 963 C GLU A 66 11.646 -1.320 4.522 1.00 0.00 C ATOM 964 O GLU A 66 11.541 -0.705 5.583 1.00 0.00 O ATOM 965 CB GLU A 66 11.282 0.228 2.565 1.00 0.00 C ATOM 966 CG GLU A 66 11.658 1.364 3.519 1.00 0.00 C ATOM 967 CD GLU A 66 11.987 2.643 2.747 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.946 2.591 1.947 1.00 0.00 O ATOM 969 OE2 GLU A 66 11.273 3.643 2.974 1.00 0.00 O ATOM 0 H GLU A 66 9.282 0.024 4.451 1.00 0.00 H new ATOM 0 HA GLU A 66 10.736 -1.830 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.155 -0.068 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.531 0.577 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.835 1.553 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.516 1.068 4.122 1.00 0.00 H new ATOM 976 N ASP A 67 12.512 -2.299 4.305 1.00 0.00 N ATOM 977 CA ASP A 67 13.432 -2.729 5.344 1.00 0.00 C ATOM 978 C ASP A 67 14.338 -1.559 5.732 1.00 0.00 C ATOM 979 O ASP A 67 15.068 -1.030 4.895 1.00 0.00 O ATOM 980 CB ASP A 67 14.321 -3.874 4.853 1.00 0.00 C ATOM 981 CG ASP A 67 14.884 -4.773 5.955 1.00 0.00 C ATOM 982 OD1 ASP A 67 14.057 -5.386 6.665 1.00 0.00 O ATOM 983 OD2 ASP A 67 16.128 -4.828 6.063 1.00 0.00 O ATOM 0 H ASP A 67 12.596 -2.807 3.424 1.00 0.00 H new ATOM 0 HA ASP A 67 12.844 -3.070 6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.746 -4.489 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.153 -3.452 4.289 1.00 0.00 H new ATOM 988 N ASP A 68 14.263 -1.190 7.002 1.00 0.00 N ATOM 989 CA ASP A 68 15.068 -0.093 7.512 1.00 0.00 C ATOM 990 C ASP A 68 16.431 -0.629 7.956 1.00 0.00 C ATOM 991 O ASP A 68 16.902 -0.309 9.047 1.00 0.00 O ATOM 992 CB ASP A 68 14.401 0.564 8.722 1.00 0.00 C ATOM 993 CG ASP A 68 15.024 1.890 9.163 1.00 0.00 C ATOM 994 OD1 ASP A 68 15.524 2.607 8.270 1.00 0.00 O ATOM 995 OD2 ASP A 68 14.987 2.156 10.384 1.00 0.00 O ATOM 0 H ASP A 68 13.657 -1.631 7.693 1.00 0.00 H new ATOM 0 HA ASP A 68 15.176 0.644 6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.349 0.733 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.435 -0.133 9.560 1.00 0.00 H new ATOM 1051 N ARG A 72 15.215 -4.799 1.610 1.00 0.00 N ATOM 1052 CA ARG A 72 14.062 -5.682 1.657 1.00 0.00 C ATOM 1053 C ARG A 72 12.773 -4.865 1.773 1.00 0.00 C ATOM 1054 O ARG A 72 12.780 -3.762 2.316 1.00 0.00 O ATOM 1055 CB ARG A 72 14.155 -6.647 2.840 1.00 0.00 C ATOM 1056 CG ARG A 72 14.304 -8.092 2.359 1.00 0.00 C ATOM 1057 CD ARG A 72 13.750 -9.074 3.393 1.00 0.00 C ATOM 1058 NE ARG A 72 14.811 -10.016 3.815 1.00 0.00 N ATOM 1059 CZ ARG A 72 15.794 -9.706 4.671 1.00 0.00 C ATOM 1060 NH1 ARG A 72 15.858 -8.477 5.201 1.00 0.00 N ATOM 1061 NH2 ARG A 72 16.713 -10.625 4.997 1.00 0.00 N ATOM 0 HA ARG A 72 14.048 -6.260 0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.006 -6.379 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.262 -6.556 3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.779 -8.220 1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.355 -8.310 2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.371 -8.529 4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.910 -9.625 2.970 1.00 0.00 H new ATOM 0 HE ARG A 72 14.793 -10.960 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.158 -7.777 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.606 -8.241 5.853 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.664 -11.561 4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.461 -10.389 5.649 1.00 0.00 H new ATOM 1075 N TYR A 73 11.698 -5.439 1.254 1.00 0.00 N ATOM 1076 CA TYR A 73 10.404 -4.779 1.293 1.00 0.00 C ATOM 1077 C TYR A 73 9.271 -5.799 1.420 1.00 0.00 C ATOM 1078 O TYR A 73 9.474 -6.990 1.185 1.00 0.00 O ATOM 1079 CB TYR A 73 10.266 -4.044 -0.041 1.00 0.00 C ATOM 1080 CG TYR A 73 11.108 -2.770 -0.140 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.475 -2.858 -0.307 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.501 -1.533 -0.062 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.268 -1.660 -0.401 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.294 -0.335 -0.155 1.00 0.00 C ATOM 1085 CZ TYR A 73 12.638 -0.457 -0.320 1.00 0.00 C ATOM 1086 OH TYR A 73 13.387 0.675 -0.408 1.00 0.00 O ATOM 0 H TYR A 73 11.696 -6.354 0.804 1.00 0.00 H new ATOM 0 HA TYR A 73 10.341 -4.107 2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.552 -4.719 -0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.218 -3.788 -0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.950 -3.826 -0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.431 -1.464 0.069 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.339 -1.715 -0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.831 0.639 -0.095 1.00 0.00 H new ATOM 0 HH TYR A 73 13.218 1.241 0.374 1.00 0.00 H new ATOM 1096 N TRP A 74 8.103 -5.295 1.790 1.00 0.00 N ATOM 1097 CA TRP A 74 6.937 -6.148 1.950 1.00 0.00 C ATOM 1098 C TRP A 74 5.770 -5.498 1.204 1.00 0.00 C ATOM 1099 O TRP A 74 5.877 -4.362 0.746 1.00 0.00 O ATOM 1100 CB TRP A 74 6.638 -6.395 3.430 1.00 0.00 C ATOM 1101 CG TRP A 74 7.481 -7.506 4.059 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.236 -8.823 4.068 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.723 -7.341 4.775 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.225 -9.517 4.734 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.159 -8.587 5.178 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.455 -6.178 5.072 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.340 -8.790 5.901 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.634 -6.397 5.796 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.086 -7.645 6.209 1.00 0.00 C ATOM 0 H TRP A 74 7.939 -4.307 1.984 1.00 0.00 H new ATOM 0 HA TRP A 74 7.118 -7.134 1.521 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.804 -5.470 3.983 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.583 -6.647 3.540 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.373 -9.284 3.611 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.264 -10.526 4.875 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.134 -5.193 4.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.659 -9.776 6.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.234 -5.536 6.051 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.008 -7.731 6.765 1.00 0.00 H new ATOM 1120 N ILE A 75 4.682 -6.248 1.106 1.00 0.00 N ATOM 1121 CA ILE A 75 3.496 -5.759 0.424 1.00 0.00 C ATOM 1122 C ILE A 75 2.251 -6.195 1.198 1.00 0.00 C ATOM 1123 O ILE A 75 1.859 -7.360 1.145 1.00 0.00 O ATOM 1124 CB ILE A 75 3.497 -6.205 -1.040 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.495 -5.387 -1.862 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.087 -6.152 -1.631 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.933 -4.000 -2.183 1.00 0.00 C ATOM 0 H ILE A 75 4.597 -7.190 1.487 1.00 0.00 H new ATOM 0 HA ILE A 75 3.492 -4.669 0.401 1.00 0.00 H new ATOM 0 HB ILE A 75 3.823 -7.244 -1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.430 -5.286 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.727 -5.913 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.116 -6.474 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.430 -6.813 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.708 -5.131 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.662 -3.439 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.011 -4.104 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.725 -3.468 -1.255 1.00 0.00 H new ATOM 1139 N PHE A 76 1.663 -5.237 1.900 1.00 0.00 N ATOM 1140 CA PHE A 76 0.471 -5.508 2.684 1.00 0.00 C ATOM 1141 C PHE A 76 -0.783 -5.001 1.969 1.00 0.00 C ATOM 1142 O PHE A 76 -0.836 -3.848 1.543 1.00 0.00 O ATOM 1143 CB PHE A 76 0.626 -4.757 4.008 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.537 -4.963 4.981 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.677 -6.150 5.630 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.429 -3.960 5.196 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.757 -6.341 6.533 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.509 -4.152 6.099 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.650 -5.338 6.748 1.00 0.00 C ATOM 0 H PHE A 76 1.991 -4.272 1.942 1.00 0.00 H new ATOM 0 HA PHE A 76 0.362 -6.582 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.550 -5.077 4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.728 -3.692 3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.032 -6.946 5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.317 -3.018 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.869 -7.283 7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.218 -3.355 6.270 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.471 -5.484 7.434 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.762 -5.887 1.858 1.00 0.00 N ATOM 1160 CA ARG A 77 -3.012 -5.545 1.202 1.00 0.00 C ATOM 1161 C ARG A 77 -4.196 -6.125 1.977 1.00 0.00 C ATOM 1162 O ARG A 77 -4.323 -7.342 2.104 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.043 -6.073 -0.234 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.906 -7.069 -0.476 1.00 0.00 C ATOM 1165 CD ARG A 77 -2.068 -7.767 -1.828 1.00 0.00 C ATOM 1166 NE ARG A 77 -3.298 -8.590 -1.829 1.00 0.00 N ATOM 1167 CZ ARG A 77 -3.488 -9.655 -2.619 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -2.530 -10.033 -3.476 1.00 0.00 N ATOM 1169 NH2 ARG A 77 -4.636 -10.343 -2.552 1.00 0.00 N ATOM 0 H ARG A 77 -1.714 -6.842 2.212 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.087 -4.458 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.001 -6.555 -0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.958 -5.241 -0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.949 -6.549 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.892 -7.812 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.116 -7.026 -2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.200 -8.395 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.048 -8.330 -1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.656 -9.510 -3.527 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.675 -10.844 -4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.365 -10.056 -1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.780 -11.154 -3.154 1.00 0.00 H new ATOM 1183 N SER A 78 -5.032 -5.227 2.477 1.00 0.00 N ATOM 1184 CA SER A 78 -6.201 -5.635 3.237 1.00 0.00 C ATOM 1185 C SER A 78 -7.473 -5.341 2.439 1.00 0.00 C ATOM 1186 O SER A 78 -7.522 -4.378 1.675 1.00 0.00 O ATOM 1187 CB SER A 78 -6.251 -4.928 4.593 1.00 0.00 C ATOM 1188 OG SER A 78 -7.528 -4.349 4.847 1.00 0.00 O ATOM 0 H SER A 78 -4.923 -4.218 2.371 1.00 0.00 H new ATOM 0 HA SER A 78 -6.133 -6.708 3.419 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.013 -5.641 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.488 -4.150 4.625 1.00 0.00 H new ATOM 0 HG SER A 78 -7.698 -4.343 5.812 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.470 -6.190 2.643 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.739 -6.033 1.951 1.00 0.00 C ATOM 1196 C TRP A 79 -10.840 -6.599 2.850 1.00 0.00 C ATOM 1197 O TRP A 79 -10.576 -7.003 3.981 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.696 -6.692 0.571 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.458 -8.203 0.610 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.372 -9.181 0.675 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -8.180 -8.873 0.583 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.779 -10.427 0.693 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.404 -10.233 0.634 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.878 -8.346 0.517 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.373 -11.181 0.626 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.859 -9.306 0.509 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -6.067 -10.679 0.561 1.00 0.00 C ATOM 0 H TRP A 79 -8.425 -6.988 3.277 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.949 -4.980 1.764 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.637 -6.496 0.057 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.907 -6.225 -0.019 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.439 -9.015 0.709 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -10.261 -11.325 0.741 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.680 -7.285 0.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.574 -12.241 0.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.839 -8.955 0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.226 -11.356 0.551 1.00 0.00 H new ATOM 1218 N GLY A 80 -12.051 -6.609 2.313 1.00 0.00 N ATOM 1219 CA GLY A 80 -13.194 -7.118 3.052 1.00 0.00 C ATOM 1220 C GLY A 80 -14.223 -6.014 3.300 1.00 0.00 C ATOM 1221 O GLY A 80 -13.885 -4.832 3.290 1.00 0.00 O ATOM 0 H GLY A 80 -12.266 -6.273 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.657 -7.933 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.861 -7.530 4.005 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.459 -6.439 3.516 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.541 -5.501 3.766 1.00 0.00 C ATOM 1227 C ARG A 81 -16.277 -4.718 5.054 1.00 0.00 C ATOM 1228 O ARG A 81 -15.511 -5.161 5.908 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.883 -6.227 3.884 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.683 -6.113 2.584 1.00 0.00 C ATOM 1231 CD ARG A 81 -18.249 -7.180 1.578 1.00 0.00 C ATOM 1232 NE ARG A 81 -18.920 -8.464 1.881 1.00 0.00 N ATOM 1233 CZ ARG A 81 -20.132 -8.804 1.424 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -20.815 -7.958 0.640 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -20.663 -9.991 1.750 1.00 0.00 N ATOM 0 H ARG A 81 -15.736 -7.421 3.523 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.586 -4.813 2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.713 -7.277 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.458 -5.804 4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.747 -6.220 2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.542 -5.122 2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.498 -6.860 0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.167 -7.308 1.615 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.428 -9.132 2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -20.412 -7.055 0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -21.738 -8.217 0.292 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.144 -10.635 2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.586 -10.250 1.402 1.00 0.00 H new ATOM 1328 N SER A 88 -9.783 -9.732 5.558 1.00 0.00 N ATOM 1329 CA SER A 88 -8.505 -10.413 5.675 1.00 0.00 C ATOM 1330 C SER A 88 -7.377 -9.493 5.205 1.00 0.00 C ATOM 1331 O SER A 88 -7.632 -8.428 4.645 1.00 0.00 O ATOM 1332 CB SER A 88 -8.498 -11.715 4.871 1.00 0.00 C ATOM 1333 OG SER A 88 -8.665 -12.858 5.705 1.00 0.00 O ATOM 0 HA SER A 88 -8.347 -10.665 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.296 -11.687 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.558 -11.799 4.325 1.00 0.00 H new ATOM 0 HG SER A 88 -8.657 -13.669 5.154 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.153 -9.936 5.452 1.00 0.00 N ATOM 1340 CA ASN A 89 -4.985 -9.166 5.061 1.00 0.00 C ATOM 1341 C ASN A 89 -3.920 -10.111 4.500 1.00 0.00 C ATOM 1342 O ASN A 89 -3.752 -11.225 4.993 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.382 -8.432 6.260 1.00 0.00 C ATOM 1344 CG ASN A 89 -4.338 -9.339 7.492 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -3.313 -10.187 7.503 1.00 0.00 O flip ATOM 1346 ND2 ASN A 89 -5.179 -9.274 8.373 1.00 0.00 N flip ATOM 0 H ASN A 89 -5.945 -10.819 5.918 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.297 -8.438 4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.375 -8.095 6.016 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.971 -7.542 6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.941 -8.599 8.302 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.121 -9.894 9.181 1.00 0.00 H new ATOM 1353 N LYS A 90 -3.228 -9.631 3.477 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.185 -10.419 2.844 1.00 0.00 C ATOM 1355 C LYS A 90 -0.867 -9.643 2.891 1.00 0.00 C ATOM 1356 O LYS A 90 -0.850 -8.428 2.699 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.606 -10.831 1.432 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.464 -11.544 0.705 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.646 -13.063 0.756 1.00 0.00 C ATOM 1360 CE LYS A 90 -1.379 -13.693 -0.613 1.00 0.00 C ATOM 1361 NZ LYS A 90 -1.026 -15.122 -0.465 1.00 0.00 N ATOM 0 H LYS A 90 -3.370 -8.706 3.071 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.028 -11.350 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.474 -11.488 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.907 -9.949 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.426 -11.213 -0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.512 -11.273 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.968 -13.490 1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.660 -13.301 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.262 -13.594 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.569 -13.162 -1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.848 -15.535 -1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.170 -15.209 0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.811 -15.628 -0.008 1.00 0.00 H new ATOM 1375 N LEU A 91 0.206 -10.377 3.147 1.00 0.00 N ATOM 1376 CA LEU A 91 1.526 -9.773 3.221 1.00 0.00 C ATOM 1377 C LEU A 91 2.522 -10.637 2.444 1.00 0.00 C ATOM 1378 O LEU A 91 2.504 -11.862 2.553 1.00 0.00 O ATOM 1379 CB LEU A 91 1.925 -9.535 4.679 1.00 0.00 C ATOM 1380 CG LEU A 91 3.284 -8.868 4.902 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.191 -7.354 4.705 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.855 -9.234 6.273 1.00 0.00 C ATOM 0 H LEU A 91 0.188 -11.384 3.306 1.00 0.00 H new ATOM 0 HA LEU A 91 1.522 -8.790 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.159 -8.919 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.924 -10.494 5.197 1.00 0.00 H new ATOM 0 HG LEU A 91 3.978 -9.247 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.170 -6.905 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.859 -7.139 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.477 -6.938 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.821 -8.747 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.170 -8.901 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.981 -10.315 6.338 1.00 0.00 H new ATOM 1394 N GLU A 92 3.367 -9.964 1.678 1.00 0.00 N ATOM 1395 CA GLU A 92 4.369 -10.654 0.883 1.00 0.00 C ATOM 1396 C GLU A 92 5.697 -9.897 0.928 1.00 0.00 C ATOM 1397 O GLU A 92 5.714 -8.668 0.979 1.00 0.00 O ATOM 1398 CB GLU A 92 3.892 -10.840 -0.559 1.00 0.00 C ATOM 1399 CG GLU A 92 2.676 -11.766 -0.620 1.00 0.00 C ATOM 1400 CD GLU A 92 2.134 -11.866 -2.047 1.00 0.00 C ATOM 1401 OE1 GLU A 92 2.975 -11.941 -2.969 1.00 0.00 O ATOM 1402 OE2 GLU A 92 0.892 -11.865 -2.184 1.00 0.00 O ATOM 0 H GLU A 92 3.379 -8.948 1.591 1.00 0.00 H new ATOM 0 HA GLU A 92 4.524 -11.645 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.638 -9.871 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.700 -11.255 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.951 -12.758 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.896 -11.392 0.044 1.00 0.00 H new ATOM 1409 N GLN A 93 6.779 -10.662 0.909 1.00 0.00 N ATOM 1410 CA GLN A 93 8.109 -10.078 0.948 1.00 0.00 C ATOM 1411 C GLN A 93 8.630 -9.850 -0.473 1.00 0.00 C ATOM 1412 O GLN A 93 8.782 -10.798 -1.242 1.00 0.00 O ATOM 1413 CB GLN A 93 9.071 -10.957 1.750 1.00 0.00 C ATOM 1414 CG GLN A 93 10.468 -10.337 1.800 1.00 0.00 C ATOM 1415 CD GLN A 93 11.500 -11.256 1.143 1.00 0.00 C ATOM 1416 OE1 GLN A 93 11.795 -12.341 1.617 1.00 0.00 O ATOM 1417 NE2 GLN A 93 12.032 -10.762 0.028 1.00 0.00 N ATOM 0 H GLN A 93 6.762 -11.681 0.867 1.00 0.00 H new ATOM 0 HA GLN A 93 8.046 -9.113 1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.691 -11.088 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.125 -11.948 1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.460 -9.372 1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.750 -10.150 2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.740 -9.846 -0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.732 -11.299 -0.485 1.00 0.00 H new ATOM 1426 N MET A 94 8.889 -8.587 -0.778 1.00 0.00 N ATOM 1427 CA MET A 94 9.390 -8.222 -2.092 1.00 0.00 C ATOM 1428 C MET A 94 10.912 -8.361 -2.157 1.00 0.00 C ATOM 1429 O MET A 94 11.601 -8.150 -1.161 1.00 0.00 O ATOM 1430 CB MET A 94 8.995 -6.778 -2.406 1.00 0.00 C ATOM 1431 CG MET A 94 7.635 -6.435 -1.795 1.00 0.00 C ATOM 1432 SD MET A 94 6.464 -7.737 -2.144 1.00 0.00 S ATOM 1433 CE MET A 94 6.237 -7.487 -3.897 1.00 0.00 C ATOM 0 H MET A 94 8.761 -7.804 -0.138 1.00 0.00 H new ATOM 0 HA MET A 94 8.951 -8.896 -2.827 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.753 -6.098 -2.019 1.00 0.00 H new ATOM 0 HB3 MET A 94 8.959 -6.634 -3.486 1.00 0.00 H new ATOM 0 HG2 MET A 94 7.734 -6.303 -0.718 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.273 -5.490 -2.200 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.173 -7.393 -4.116 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.753 -6.577 -4.205 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.646 -8.338 -4.442 1.00 0.00 H new ATOM 1443 N PRO A 95 11.404 -8.725 -3.372 1.00 0.00 N ATOM 1444 CA PRO A 95 12.832 -8.895 -3.580 1.00 0.00 C ATOM 1445 C PRO A 95 13.539 -7.541 -3.661 1.00 0.00 C ATOM 1446 O PRO A 95 14.444 -7.262 -2.876 1.00 0.00 O ATOM 1447 CB PRO A 95 12.949 -9.704 -4.862 1.00 0.00 C ATOM 1448 CG PRO A 95 11.612 -9.559 -5.569 1.00 0.00 C ATOM 1449 CD PRO A 95 10.618 -8.984 -4.574 1.00 0.00 C ATOM 0 HA PRO A 95 13.319 -9.411 -2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.763 -9.333 -5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 95 13.165 -10.750 -4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.707 -8.904 -6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.268 -10.526 -5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.162 -8.070 -4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.808 -9.685 -4.374 1.00 0.00 H new ATOM 1457 N SER A 96 13.100 -6.736 -4.617 1.00 0.00 N ATOM 1458 CA SER A 96 13.680 -5.418 -4.810 1.00 0.00 C ATOM 1459 C SER A 96 12.668 -4.339 -4.421 1.00 0.00 C ATOM 1460 O SER A 96 11.473 -4.613 -4.313 1.00 0.00 O ATOM 1461 CB SER A 96 14.133 -5.223 -6.259 1.00 0.00 C ATOM 1462 OG SER A 96 15.248 -4.341 -6.355 1.00 0.00 O ATOM 0 H SER A 96 12.349 -6.971 -5.266 1.00 0.00 H new ATOM 0 HA SER A 96 14.557 -5.333 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.397 -6.189 -6.690 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.305 -4.827 -6.847 1.00 0.00 H new ATOM 0 HG SER A 96 15.508 -4.244 -7.295 1.00 0.00 H new ATOM 1468 N LYS A 97 13.183 -3.135 -4.219 1.00 0.00 N ATOM 1469 CA LYS A 97 12.339 -2.013 -3.844 1.00 0.00 C ATOM 1470 C LYS A 97 11.309 -1.763 -4.948 1.00 0.00 C ATOM 1471 O LYS A 97 10.131 -1.551 -4.666 1.00 0.00 O ATOM 1472 CB LYS A 97 13.193 -0.788 -3.510 1.00 0.00 C ATOM 1473 CG LYS A 97 12.326 0.467 -3.385 1.00 0.00 C ATOM 1474 CD LYS A 97 12.939 1.635 -4.160 1.00 0.00 C ATOM 1475 CE LYS A 97 13.298 2.788 -3.220 1.00 0.00 C ATOM 1476 NZ LYS A 97 13.749 3.966 -3.993 1.00 0.00 N ATOM 0 H LYS A 97 14.174 -2.912 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 97 11.783 -2.242 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.730 -0.958 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.943 -0.640 -4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.325 0.261 -3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.221 0.738 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.832 1.298 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.236 1.983 -4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.432 3.054 -2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.084 2.474 -2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.972 4.745 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.598 3.718 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.994 4.265 -4.643 1.00 0.00 H new ATOM 1490 N GLU A 98 11.792 -1.796 -6.181 1.00 0.00 N ATOM 1491 CA GLU A 98 10.928 -1.576 -7.329 1.00 0.00 C ATOM 1492 C GLU A 98 9.812 -2.622 -7.362 1.00 0.00 C ATOM 1493 O GLU A 98 8.635 -2.276 -7.460 1.00 0.00 O ATOM 1494 CB GLU A 98 11.732 -1.590 -8.631 1.00 0.00 C ATOM 1495 CG GLU A 98 12.818 -0.513 -8.617 1.00 0.00 C ATOM 1496 CD GLU A 98 12.987 0.113 -10.002 1.00 0.00 C ATOM 1497 OE1 GLU A 98 12.032 0.791 -10.439 1.00 0.00 O ATOM 1498 OE2 GLU A 98 14.068 -0.100 -10.594 1.00 0.00 O ATOM 0 H GLU A 98 12.770 -1.972 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 98 10.472 -0.591 -7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.189 -2.570 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.064 -1.427 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.559 0.260 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.763 -0.949 -8.293 1.00 0.00 H new ATOM 1505 N ASP A 99 10.220 -3.879 -7.278 1.00 0.00 N ATOM 1506 CA ASP A 99 9.269 -4.978 -7.297 1.00 0.00 C ATOM 1507 C ASP A 99 8.200 -4.739 -6.230 1.00 0.00 C ATOM 1508 O ASP A 99 7.065 -5.192 -6.371 1.00 0.00 O ATOM 1509 CB ASP A 99 9.958 -6.308 -6.987 1.00 0.00 C ATOM 1510 CG ASP A 99 10.990 -6.759 -8.023 1.00 0.00 C ATOM 1511 OD1 ASP A 99 10.586 -6.914 -9.196 1.00 0.00 O ATOM 1512 OD2 ASP A 99 12.159 -6.939 -7.619 1.00 0.00 O ATOM 0 H ASP A 99 11.197 -4.162 -7.197 1.00 0.00 H new ATOM 0 HA ASP A 99 8.827 -5.025 -8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.450 -6.228 -6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.196 -7.082 -6.895 1.00 0.00 H new ATOM 1517 N ALA A 100 8.599 -4.029 -5.185 1.00 0.00 N ATOM 1518 CA ALA A 100 7.689 -3.724 -4.095 1.00 0.00 C ATOM 1519 C ALA A 100 6.829 -2.518 -4.475 1.00 0.00 C ATOM 1520 O ALA A 100 5.645 -2.466 -4.146 1.00 0.00 O ATOM 1521 CB ALA A 100 8.490 -3.488 -2.812 1.00 0.00 C ATOM 0 H ALA A 100 9.541 -3.656 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 100 7.017 -4.562 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.807 -3.259 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.060 -4.385 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.174 -2.652 -2.959 1.00 0.00 H new ATOM 1527 N ILE A 101 7.458 -1.577 -5.164 1.00 0.00 N ATOM 1528 CA ILE A 101 6.764 -0.374 -5.593 1.00 0.00 C ATOM 1529 C ILE A 101 5.797 -0.725 -6.725 1.00 0.00 C ATOM 1530 O ILE A 101 4.616 -0.386 -6.664 1.00 0.00 O ATOM 1531 CB ILE A 101 7.768 0.721 -5.960 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.407 1.321 -4.706 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.116 1.790 -6.839 1.00 0.00 C ATOM 1534 CD1 ILE A 101 9.859 1.725 -4.970 1.00 0.00 C ATOM 0 H ILE A 101 8.440 -1.623 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 101 6.167 0.033 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 101 8.569 0.269 -6.544 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.836 2.192 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.370 0.597 -3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.851 2.556 -7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.748 1.332 -7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.284 2.245 -6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.290 2.149 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.432 0.847 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.891 2.467 -5.767 1.00 0.00 H new ATOM 1546 N GLU A 102 6.333 -1.400 -7.732 1.00 0.00 N ATOM 1547 CA GLU A 102 5.531 -1.800 -8.875 1.00 0.00 C ATOM 1548 C GLU A 102 4.239 -2.473 -8.409 1.00 0.00 C ATOM 1549 O GLU A 102 3.146 -2.063 -8.798 1.00 0.00 O ATOM 1550 CB GLU A 102 6.324 -2.721 -9.805 1.00 0.00 C ATOM 1551 CG GLU A 102 7.668 -2.095 -10.182 1.00 0.00 C ATOM 1552 CD GLU A 102 7.941 -2.244 -11.680 1.00 0.00 C ATOM 1553 OE1 GLU A 102 6.949 -2.238 -12.441 1.00 0.00 O ATOM 1554 OE2 GLU A 102 9.135 -2.361 -12.031 1.00 0.00 O ATOM 0 H GLU A 102 7.313 -1.680 -7.779 1.00 0.00 H new ATOM 0 HA GLU A 102 5.268 -0.906 -9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.490 -3.681 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.745 -2.919 -10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.670 -1.039 -9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.467 -2.571 -9.614 1.00 0.00 H new ATOM 1561 N HIS A 103 4.406 -3.493 -7.580 1.00 0.00 N ATOM 1562 CA HIS A 103 3.266 -4.226 -7.056 1.00 0.00 C ATOM 1563 C HIS A 103 2.327 -3.262 -6.329 1.00 0.00 C ATOM 1564 O HIS A 103 1.118 -3.274 -6.559 1.00 0.00 O ATOM 1565 CB HIS A 103 3.726 -5.386 -6.171 1.00 0.00 C ATOM 1566 CG HIS A 103 2.734 -6.520 -6.080 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.313 -7.253 -5.009 1.00 0.00 N flip ATOM 1568 CD2 HIS A 103 2.055 -7.013 -7.181 1.00 0.00 C flip ATOM 1569 CE1 HIS A 103 1.425 -8.143 -5.432 1.00 0.00 C flip ATOM 1570 NE2 HIS A 103 1.264 -7.997 -6.779 1.00 0.00 N flip ATOM 0 H HIS A 103 5.314 -3.829 -7.258 1.00 0.00 H new ATOM 0 HA HIS A 103 2.707 -4.673 -7.878 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.669 -5.772 -6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.923 -5.008 -5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.153 -6.656 -8.196 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.914 -8.865 -4.812 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.644 -8.548 -7.372 1.00 0.00 H new ATOM 1578 N PHE A 104 2.917 -2.450 -5.465 1.00 0.00 N ATOM 1579 CA PHE A 104 2.148 -1.482 -4.702 1.00 0.00 C ATOM 1580 C PHE A 104 1.451 -0.483 -5.628 1.00 0.00 C ATOM 1581 O PHE A 104 0.302 -0.112 -5.395 1.00 0.00 O ATOM 1582 CB PHE A 104 3.137 -0.728 -3.810 1.00 0.00 C ATOM 1583 CG PHE A 104 2.502 0.396 -2.988 1.00 0.00 C ATOM 1584 CD1 PHE A 104 2.004 0.134 -1.750 1.00 0.00 C ATOM 1585 CD2 PHE A 104 2.435 1.656 -3.495 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.414 1.177 -0.987 1.00 0.00 C ATOM 1587 CE2 PHE A 104 1.846 2.698 -2.732 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.348 2.437 -1.494 1.00 0.00 C ATOM 0 H PHE A 104 3.919 -2.442 -5.276 1.00 0.00 H new ATOM 0 HA PHE A 104 1.381 -1.992 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.612 -1.437 -3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.925 -0.307 -4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.057 -0.867 -1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.830 1.864 -4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.018 0.969 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.793 3.699 -3.135 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.900 3.230 -0.914 1.00 0.00 H new ATOM 1598 N MET A 105 2.176 -0.076 -6.659 1.00 0.00 N ATOM 1599 CA MET A 105 1.642 0.873 -7.622 1.00 0.00 C ATOM 1600 C MET A 105 0.613 0.205 -8.537 1.00 0.00 C ATOM 1601 O MET A 105 -0.339 0.846 -8.978 1.00 0.00 O ATOM 1602 CB MET A 105 2.784 1.442 -8.466 1.00 0.00 C ATOM 1603 CG MET A 105 3.384 2.686 -7.810 1.00 0.00 C ATOM 1604 SD MET A 105 3.504 4.008 -9.003 1.00 0.00 S ATOM 1605 CE MET A 105 4.430 3.183 -10.287 1.00 0.00 C ATOM 0 H MET A 105 3.129 -0.386 -6.849 1.00 0.00 H new ATOM 0 HA MET A 105 1.147 1.677 -7.076 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.558 0.685 -8.594 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.416 1.693 -9.461 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.764 2.999 -6.970 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.371 2.456 -7.410 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.037 3.912 -10.823 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.078 2.429 -9.841 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.741 2.704 -10.982 1.00 0.00 H new ATOM 1615 N LYS A 106 0.840 -1.075 -8.794 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.054 -1.837 -9.649 1.00 0.00 C ATOM 1617 C LYS A 106 -1.290 -2.250 -8.846 1.00 0.00 C ATOM 1618 O LYS A 106 -2.417 -2.104 -9.316 1.00 0.00 O ATOM 1619 CB LYS A 106 0.686 -3.014 -10.286 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.241 -4.218 -10.456 1.00 0.00 C ATOM 1621 CD LYS A 106 0.523 -5.427 -11.000 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.214 -6.730 -10.683 1.00 0.00 C ATOM 1623 NZ LYS A 106 0.279 -7.827 -11.546 1.00 0.00 N ATOM 0 H LYS A 106 1.630 -1.604 -8.425 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.402 -1.223 -10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.083 -2.716 -11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.538 -3.291 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.694 -4.471 -9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.054 -3.962 -11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.647 -5.328 -12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 106 1.522 -5.455 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.069 -6.991 -9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.285 -6.595 -10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.231 -8.704 -11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.119 -7.582 -12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.297 -7.966 -11.383 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.036 -2.758 -7.649 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.113 -3.193 -6.777 1.00 0.00 C ATOM 1639 C LEU A 107 -3.151 -2.075 -6.658 1.00 0.00 C ATOM 1640 O LEU A 107 -4.320 -2.271 -6.984 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.557 -3.661 -5.431 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.228 -5.152 -5.323 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -0.752 -5.508 -3.913 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.419 -6.009 -5.759 1.00 0.00 C ATOM 0 H LEU A 107 -0.100 -2.878 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.622 -4.057 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.652 -3.093 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.281 -3.412 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.406 -5.371 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.525 -6.573 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.144 -4.935 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.536 -5.270 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.159 -7.064 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.276 -5.793 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.672 -5.781 -6.795 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.685 -0.926 -6.189 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.558 0.223 -6.023 1.00 0.00 C ATOM 1658 C TYR A 108 -4.103 0.698 -7.372 1.00 0.00 C ATOM 1659 O TYR A 108 -4.994 1.544 -7.422 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.689 1.329 -5.420 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.449 2.621 -5.114 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -4.076 2.780 -3.895 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.508 3.627 -6.057 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.791 3.996 -3.606 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.224 4.843 -5.768 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.830 4.967 -4.557 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.506 6.115 -4.285 1.00 0.00 O ATOM 0 H TYR A 108 -1.714 -0.767 -5.919 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.410 -0.031 -5.392 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.236 0.960 -4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.875 1.553 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.030 1.992 -3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.018 3.503 -7.011 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.285 4.134 -2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.278 5.638 -6.497 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.448 6.719 -5.055 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.545 0.131 -8.431 1.00 0.00 N ATOM 1678 CA GLU A 109 -3.964 0.485 -9.777 1.00 0.00 C ATOM 1679 C GLU A 109 -5.027 -0.495 -10.277 1.00 0.00 C ATOM 1680 O GLU A 109 -5.770 -0.188 -11.208 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.768 0.530 -10.730 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.229 0.634 -12.185 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.035 0.787 -13.129 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.050 0.045 -12.923 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.134 1.641 -14.036 1.00 0.00 O ATOM 0 H GLU A 109 -2.806 -0.571 -8.385 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.402 1.483 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.134 1.382 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.161 -0.366 -10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.798 -0.256 -12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.898 1.487 -12.298 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.064 -1.655 -9.638 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.023 -2.682 -10.006 1.00 0.00 C ATOM 1694 C GLU A 110 -7.384 -2.391 -9.369 1.00 0.00 C ATOM 1695 O GLU A 110 -8.421 -2.556 -10.009 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.519 -4.071 -9.610 1.00 0.00 C ATOM 1697 CG GLU A 110 -6.078 -4.491 -8.249 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.600 -5.894 -7.869 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.366 -6.068 -7.779 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.481 -6.760 -7.677 1.00 0.00 O ATOM 0 H GLU A 110 -4.445 -1.906 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.140 -2.669 -11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.813 -4.798 -10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.430 -4.070 -9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.764 -3.777 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.167 -4.469 -8.277 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.335 -1.963 -8.116 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.551 -1.648 -7.385 1.00 0.00 C ATOM 1709 C LYS A 111 -9.219 -0.426 -8.019 1.00 0.00 C ATOM 1710 O LYS A 111 -10.328 -0.522 -8.541 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.252 -1.481 -5.894 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.707 -2.780 -5.296 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.822 -3.813 -5.119 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.243 -5.211 -4.895 1.00 0.00 C ATOM 1715 NZ LYS A 111 -8.972 -5.906 -3.810 1.00 0.00 N ATOM 0 H LYS A 111 -6.473 -1.827 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.261 -2.472 -7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.528 -0.679 -5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.160 -1.187 -5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.931 -3.185 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.241 -2.574 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.449 -3.535 -4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.462 -3.818 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.310 -5.791 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.186 -5.137 -4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.858 -6.934 -3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.589 -5.610 -2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.982 -5.663 -3.859 1.00 0.00 H new ATOM 1729 N THR A 112 -8.515 0.695 -7.951 1.00 0.00 N ATOM 1730 CA THR A 112 -9.026 1.934 -8.512 1.00 0.00 C ATOM 1731 C THR A 112 -9.069 1.851 -10.039 1.00 0.00 C ATOM 1732 O THR A 112 -9.873 2.528 -10.679 1.00 0.00 O ATOM 1733 CB THR A 112 -8.160 3.082 -7.990 1.00 0.00 C ATOM 1734 OG1 THR A 112 -6.927 2.932 -8.689 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.778 2.905 -6.519 1.00 0.00 C ATOM 0 H THR A 112 -7.595 0.771 -7.516 1.00 0.00 H new ATOM 0 HA THR A 112 -10.054 2.115 -8.199 1.00 0.00 H new ATOM 0 HB THR A 112 -8.693 4.025 -8.116 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.300 2.416 -8.140 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.164 3.747 -6.199 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.682 2.863 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.216 1.979 -6.398 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.195 1.015 -10.579 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.123 0.835 -12.019 1.00 0.00 C ATOM 1745 C GLY A 113 -7.264 1.924 -12.665 1.00 0.00 C ATOM 1746 O GLY A 113 -6.919 1.830 -13.842 1.00 0.00 O ATOM 0 H GLY A 113 -7.531 0.455 -10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.705 -0.146 -12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.127 0.859 -12.443 1.00 0.00 H new ATOM 1750 N ASN A 114 -6.944 2.932 -11.868 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.132 4.038 -12.347 1.00 0.00 C ATOM 1752 C ASN A 114 -4.729 3.933 -11.746 1.00 0.00 C ATOM 1753 O ASN A 114 -4.566 3.467 -10.619 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.729 5.382 -11.926 1.00 0.00 C ATOM 1755 CG ASN A 114 -7.642 5.943 -13.018 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -7.225 6.688 -13.889 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -8.907 5.546 -12.922 1.00 0.00 N ATOM 0 H ASN A 114 -7.232 3.006 -10.892 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.097 3.985 -13.435 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.294 5.259 -11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.927 6.091 -11.718 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.595 5.867 -13.603 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.189 4.921 -12.167 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.752 4.375 -12.524 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.369 4.337 -12.083 1.00 0.00 C ATOM 1766 C ALA A 115 -2.208 5.223 -10.846 1.00 0.00 C ATOM 1767 O ALA A 115 -2.872 6.252 -10.725 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.454 4.767 -13.231 1.00 0.00 C ATOM 0 H ALA A 115 -3.891 4.761 -13.458 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.084 3.323 -11.802 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.416 4.738 -12.899 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.584 4.088 -14.074 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.709 5.781 -13.539 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.323 4.793 -9.959 1.00 0.00 N ATOM 1775 CA TRP A 116 -1.067 5.534 -8.737 1.00 0.00 C ATOM 1776 C TRP A 116 -0.708 6.971 -9.121 1.00 0.00 C ATOM 1777 O TRP A 116 -0.847 7.887 -8.312 1.00 0.00 O ATOM 1778 CB TRP A 116 0.017 4.852 -7.898 1.00 0.00 C ATOM 1779 CG TRP A 116 0.639 5.756 -6.832 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.485 6.780 -7.009 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.429 5.674 -5.406 1.00 0.00 C ATOM 1782 NE1 TRP A 116 1.834 7.362 -5.807 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.171 6.668 -4.802 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.363 4.789 -4.653 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.195 6.871 -3.417 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.327 5.005 -3.270 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.415 6.001 -2.646 1.00 0.00 C ATOM 0 H TRP A 116 -0.774 3.940 -10.063 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.955 5.553 -8.106 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.412 3.976 -7.412 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.805 4.495 -8.561 1.00 0.00 H new ATOM 0 HD1 TRP A 116 1.848 7.109 -7.971 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.463 8.155 -5.680 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -0.952 4.005 -5.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 1.784 7.657 -2.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.917 4.352 -2.644 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.390 6.103 -1.571 1.00 0.00 H new ATOM 1798 N HIS A 117 -0.255 7.124 -10.357 1.00 0.00 N ATOM 1799 CA HIS A 117 0.123 8.434 -10.859 1.00 0.00 C ATOM 1800 C HIS A 117 -0.234 8.538 -12.343 1.00 0.00 C ATOM 1801 O HIS A 117 0.568 8.182 -13.205 1.00 0.00 O ATOM 1802 CB HIS A 117 1.602 8.714 -10.585 1.00 0.00 C ATOM 1803 CG HIS A 117 1.848 9.588 -9.378 1.00 0.00 C ATOM 1804 ND1 HIS A 117 2.895 9.374 -8.498 1.00 0.00 N ATOM 1805 CD2 HIS A 117 1.174 10.679 -8.916 1.00 0.00 C ATOM 1806 CE1 HIS A 117 2.842 10.300 -7.552 1.00 0.00 C ATOM 1807 NE2 HIS A 117 1.774 11.108 -7.813 1.00 0.00 N ATOM 0 H HIS A 117 -0.141 6.362 -11.026 1.00 0.00 H new ATOM 0 HA HIS A 117 -0.438 9.205 -10.331 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.121 7.766 -10.446 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.039 9.191 -11.462 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.299 11.120 -9.371 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.524 10.398 -6.720 1.00 0.00 H new ATOM 0 HE2 HIS A 117 1.485 11.910 -7.253 1.00 0.00 H new ATOM 1815 N SER A 118 -1.440 9.027 -12.595 1.00 0.00 N ATOM 1816 CA SER A 118 -1.914 9.183 -13.960 1.00 0.00 C ATOM 1817 C SER A 118 -2.950 10.306 -14.029 1.00 0.00 C ATOM 1818 O SER A 118 -4.152 10.050 -13.986 1.00 0.00 O ATOM 1819 CB SER A 118 -2.510 7.877 -14.488 1.00 0.00 C ATOM 1820 OG SER A 118 -1.600 7.177 -15.332 1.00 0.00 O ATOM 0 H SER A 118 -2.103 9.320 -11.877 1.00 0.00 H new ATOM 0 HA SER A 118 -1.064 9.443 -14.590 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.789 7.240 -13.648 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.424 8.093 -15.041 1.00 0.00 H new ATOM 0 HG SER A 118 -0.690 7.271 -14.981 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.446 11.527 -14.134 1.00 0.00 N ATOM 1827 CA LYS A 119 -3.314 12.690 -14.210 1.00 0.00 C ATOM 1828 C LYS A 119 -4.435 12.553 -13.178 1.00 0.00 C ATOM 1829 O LYS A 119 -4.355 11.721 -12.276 1.00 0.00 O ATOM 1830 CB LYS A 119 -3.816 12.892 -15.641 1.00 0.00 C ATOM 1831 CG LYS A 119 -3.156 14.113 -16.286 1.00 0.00 C ATOM 1832 CD LYS A 119 -4.135 15.287 -16.365 1.00 0.00 C ATOM 1833 CE LYS A 119 -3.442 16.603 -16.005 1.00 0.00 C ATOM 1834 NZ LYS A 119 -2.450 16.967 -17.041 1.00 0.00 N ATOM 0 H LYS A 119 -1.448 11.736 -14.168 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.760 13.595 -13.961 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.602 12.003 -16.234 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.899 13.019 -15.636 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.279 14.404 -15.708 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.808 13.857 -17.287 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.549 15.353 -17.371 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.971 15.115 -15.687 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.183 17.396 -15.908 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.948 16.508 -15.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.026 17.887 -16.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.705 16.242 -17.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.921 17.028 -17.966 1.00 0.00 H new ATOM 1848 N ASN A 120 -5.455 13.381 -13.346 1.00 0.00 N ATOM 1849 CA ASN A 120 -6.592 13.362 -12.441 1.00 0.00 C ATOM 1850 C ASN A 120 -7.090 11.924 -12.284 1.00 0.00 C ATOM 1851 O ASN A 120 -6.618 11.022 -12.974 1.00 0.00 O ATOM 1852 CB ASN A 120 -7.746 14.206 -12.987 1.00 0.00 C ATOM 1853 CG ASN A 120 -7.278 15.623 -13.323 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -6.165 15.848 -13.771 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -8.187 16.564 -13.084 1.00 0.00 N ATOM 0 H ASN A 120 -5.518 14.070 -14.096 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.268 13.772 -11.484 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -8.156 13.734 -13.880 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -8.549 14.249 -12.251 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.971 17.542 -13.276 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.100 16.307 -12.708 1.00 0.00 H new ATOM 1862 N PHE A 121 -8.037 11.756 -11.373 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.604 10.443 -11.117 1.00 0.00 C ATOM 1864 C PHE A 121 -10.054 10.368 -11.601 1.00 0.00 C ATOM 1865 O PHE A 121 -10.794 11.345 -11.507 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.573 10.229 -9.603 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.149 8.885 -9.152 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.565 7.725 -9.556 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.244 8.851 -8.347 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -9.099 6.478 -9.137 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.779 7.604 -7.928 1.00 0.00 C ATOM 1872 CZ PHE A 121 -10.195 6.444 -8.332 1.00 0.00 C ATOM 0 H PHE A 121 -8.426 12.507 -10.803 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.032 9.681 -11.647 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.542 10.305 -9.257 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.131 11.032 -9.121 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.695 7.752 -10.195 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.707 9.772 -8.026 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.635 5.557 -9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.649 7.577 -7.289 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.602 5.495 -8.014 1.00 0.00 H new ATOM 1882 N THR A 122 -10.415 9.198 -12.108 1.00 0.00 N ATOM 1883 CA THR A 122 -11.762 8.983 -12.607 1.00 0.00 C ATOM 1884 C THR A 122 -12.486 7.937 -11.756 1.00 0.00 C ATOM 1885 O THR A 122 -12.125 6.762 -11.772 1.00 0.00 O ATOM 1886 CB THR A 122 -11.664 8.601 -14.085 1.00 0.00 C ATOM 1887 OG1 THR A 122 -11.308 9.818 -14.736 1.00 0.00 O ATOM 1888 CG2 THR A 122 -13.023 8.240 -14.689 1.00 0.00 C ATOM 0 H THR A 122 -9.798 8.389 -12.184 1.00 0.00 H new ATOM 0 HA THR A 122 -12.361 9.890 -12.530 1.00 0.00 H new ATOM 0 HB THR A 122 -10.982 7.758 -14.196 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.222 9.661 -15.699 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.896 7.977 -15.739 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.446 7.392 -14.151 1.00 0.00 H new ATOM 0 HG23 THR A 122 -13.696 9.094 -14.608 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.493 8.404 -11.032 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.270 7.524 -10.176 1.00 0.00 C ATOM 1898 C LYS A 123 -15.066 6.547 -11.044 1.00 0.00 C ATOM 1899 O LYS A 123 -16.174 6.859 -11.479 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.137 8.339 -9.215 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.116 7.734 -7.810 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.115 6.580 -7.696 1.00 0.00 C ATOM 1903 CE LYS A 123 -16.701 6.501 -6.285 1.00 0.00 C ATOM 1904 NZ LYS A 123 -17.282 5.161 -6.039 1.00 0.00 N ATOM 0 H LYS A 123 -13.788 9.380 -11.021 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.611 6.927 -9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.777 9.367 -9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.162 8.374 -9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.113 7.376 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -15.357 8.502 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -16.918 6.716 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -15.620 5.640 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -15.923 6.707 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.468 7.265 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -18.312 5.245 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -17.072 4.538 -6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -16.870 4.758 -5.173 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.471 5.385 -11.271 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.110 4.361 -12.079 1.00 0.00 C ATOM 1920 C TYR A 124 -16.069 3.517 -11.236 1.00 0.00 C ATOM 1921 O TYR A 124 -16.043 3.582 -10.009 1.00 0.00 O ATOM 1922 CB TYR A 124 -13.982 3.467 -12.597 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.386 3.927 -13.929 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.217 4.258 -14.980 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.017 4.010 -14.080 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -13.656 4.691 -16.233 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.455 4.442 -15.333 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.302 4.762 -16.348 1.00 0.00 C ATOM 1929 OH TYR A 124 -11.772 5.170 -17.532 1.00 0.00 O ATOM 0 H TYR A 124 -13.552 5.130 -10.909 1.00 0.00 H new ATOM 0 HA TYR A 124 -15.688 4.813 -12.885 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.189 3.430 -11.850 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.361 2.451 -12.711 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.289 4.192 -14.862 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.367 3.751 -13.258 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.295 4.954 -17.063 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.385 4.510 -15.464 1.00 0.00 H new ATOM 0 HH TYR A 124 -10.794 5.174 -17.469 1.00 0.00 H new ATOM 1939 N PRO A 125 -16.913 2.723 -11.948 1.00 0.00 N ATOM 1940 CA PRO A 125 -17.878 1.867 -11.280 1.00 0.00 C ATOM 1941 C PRO A 125 -17.192 0.645 -10.665 1.00 0.00 C ATOM 1942 O PRO A 125 -16.524 -0.114 -11.365 1.00 0.00 O ATOM 1943 CB PRO A 125 -18.891 1.503 -12.352 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.209 1.783 -13.682 1.00 0.00 C ATOM 1945 CD PRO A 125 -16.972 2.621 -13.404 1.00 0.00 C ATOM 0 HA PRO A 125 -18.368 2.360 -10.441 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.182 0.455 -12.275 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.800 2.095 -12.247 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -17.935 0.850 -14.174 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -18.885 2.312 -14.354 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.075 2.148 -13.805 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.048 3.605 -13.867 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.382 0.493 -9.362 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.791 -0.623 -8.645 1.00 0.00 C ATOM 1955 C LYS A 126 -15.377 -0.246 -8.198 1.00 0.00 C ATOM 1956 O LYS A 126 -14.985 -0.523 -7.066 1.00 0.00 O ATOM 1957 CB LYS A 126 -16.848 -1.896 -9.493 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.206 -2.033 -10.184 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.553 -3.503 -10.426 1.00 0.00 C ATOM 1960 CE LYS A 126 -17.888 -4.020 -11.703 1.00 0.00 C ATOM 1961 NZ LYS A 126 -18.473 -5.320 -12.102 1.00 0.00 N ATOM 0 H LYS A 126 -17.937 1.125 -8.785 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.363 -0.842 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.056 -1.875 -10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.667 -2.766 -8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -18.979 -1.570 -9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.190 -1.498 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.229 -4.102 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -19.634 -3.617 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.017 -3.295 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -16.816 -4.131 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -18.011 -5.657 -12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -18.328 -6.014 -11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.492 -5.204 -12.275 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.650 0.381 -9.112 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.288 0.800 -8.826 1.00 0.00 C ATOM 1977 C LYS A 127 -13.247 1.489 -7.461 1.00 0.00 C ATOM 1978 O LYS A 127 -14.136 2.272 -7.130 1.00 0.00 O ATOM 1979 CB LYS A 127 -12.742 1.661 -9.967 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.671 0.863 -11.270 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.540 -0.166 -11.223 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.604 -1.107 -12.428 1.00 0.00 C ATOM 1983 NZ LYS A 127 -12.805 -1.968 -12.349 1.00 0.00 N ATOM 0 H LYS A 127 -14.978 0.609 -10.050 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.628 -0.065 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.379 2.534 -10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.749 2.029 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.621 0.357 -11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.515 1.542 -12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.578 0.346 -11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -11.608 -0.744 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.626 -0.526 -13.350 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.707 -1.726 -12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -12.673 -2.804 -12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -12.951 -2.271 -11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.637 -1.434 -12.673 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.205 1.174 -6.706 1.00 0.00 N ATOM 1998 CA PHE A 128 -12.036 1.754 -5.384 1.00 0.00 C ATOM 1999 C PHE A 128 -11.373 3.130 -5.469 1.00 0.00 C ATOM 2000 O PHE A 128 -10.534 3.366 -6.337 1.00 0.00 O ATOM 2001 CB PHE A 128 -11.126 0.811 -4.595 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.743 -0.561 -4.317 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.730 -1.521 -5.280 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -12.303 -0.822 -3.105 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.303 -2.794 -5.022 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.876 -2.095 -2.847 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.864 -3.054 -3.811 1.00 0.00 C ATOM 0 H PHE A 128 -11.469 0.525 -6.984 1.00 0.00 H new ATOM 0 HA PHE A 128 -13.007 1.878 -4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.196 0.675 -5.146 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.868 1.281 -3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -11.284 -1.315 -6.242 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -12.312 -0.061 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.293 -3.556 -5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -13.321 -2.302 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.300 -4.022 -3.615 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.775 4.003 -4.557 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.231 5.350 -4.519 1.00 0.00 C ATOM 2019 C TYR A 129 -10.576 5.638 -3.166 1.00 0.00 C ATOM 2020 O TYR A 129 -10.806 4.918 -2.195 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.422 6.291 -4.706 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.580 6.031 -3.741 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.581 6.616 -2.491 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -14.623 5.210 -4.120 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.671 6.371 -1.582 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -15.712 4.965 -3.211 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.683 5.557 -1.987 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.712 5.326 -1.129 1.00 0.00 O ATOM 0 H TYR A 129 -12.471 3.804 -3.839 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.471 5.479 -5.290 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.082 7.319 -4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.787 6.199 -5.729 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.764 7.258 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.622 4.752 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.685 6.823 -0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.534 4.325 -3.495 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.363 4.728 -1.552 1.00 0.00 H new ATOM 2038 N PRO A 130 -9.752 6.720 -3.145 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.063 7.112 -1.928 1.00 0.00 C ATOM 2040 C PRO A 130 -10.025 7.782 -0.945 1.00 0.00 C ATOM 2041 O PRO A 130 -10.689 8.759 -1.289 1.00 0.00 O ATOM 2042 CB PRO A 130 -7.946 8.034 -2.388 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.333 8.493 -3.785 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.456 7.594 -4.276 1.00 0.00 C ATOM 0 HA PRO A 130 -8.658 6.261 -1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -7.838 8.884 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -6.989 7.513 -2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -8.656 9.534 -3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.477 8.436 -4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.331 8.176 -4.566 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.150 7.020 -5.151 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.069 7.231 0.259 1.00 0.00 N ATOM 2053 CA LEU A 131 -10.938 7.763 1.295 1.00 0.00 C ATOM 2054 C LEU A 131 -10.254 8.955 1.967 1.00 0.00 C ATOM 2055 O LEU A 131 -10.838 10.032 2.075 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.348 6.659 2.271 1.00 0.00 C ATOM 2057 CG LEU A 131 -11.865 5.364 1.640 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.219 4.334 2.715 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.042 5.642 0.703 1.00 0.00 C ATOM 0 H LEU A 131 -9.517 6.421 0.540 1.00 0.00 H new ATOM 0 HA LEU A 131 -11.867 8.132 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.489 6.417 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.122 7.053 2.930 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.066 4.936 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.584 3.423 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.332 4.105 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.994 4.739 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.390 4.705 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -13.853 6.105 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -12.722 6.315 -0.093 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.024 8.722 2.401 1.00 0.00 N ATOM 2072 CA GLU A 132 -8.253 9.763 3.060 1.00 0.00 C ATOM 2073 C GLU A 132 -7.769 10.793 2.037 1.00 0.00 C ATOM 2074 O GLU A 132 -6.575 10.877 1.752 1.00 0.00 O ATOM 2075 CB GLU A 132 -7.077 9.167 3.836 1.00 0.00 C ATOM 2076 CG GLU A 132 -7.115 9.596 5.304 1.00 0.00 C ATOM 2077 CD GLU A 132 -5.757 10.141 5.751 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -5.272 11.077 5.080 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -5.235 9.609 6.755 1.00 0.00 O ATOM 0 H GLU A 132 -8.542 7.828 2.309 1.00 0.00 H new ATOM 0 HA GLU A 132 -8.900 10.268 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.107 8.079 3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.138 9.488 3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.881 10.359 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.393 8.747 5.928 1.00 0.00 H new