USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=25 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 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 HIS :FLIP no HD1:sc= -9.84! C(o=-10!,f=-9.8!) USER MOD Set 2.1: A 61 LYS NZ :NH3+ -140:sc= 0.951 (180deg=-0.00578) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.785 K(o=0.17,f=-12!) USER MOD Set 3.1: A 31 HIS : no HD1:sc= 0.109 K(o=0.11,f=-1) USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -78:sc= 1.25 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -7.82! C(o=-8.6!,f=-7.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 57 ASN : amide:sc= -0.529 K(o=-0.53,f=-6!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -87:sc= 0.416 USER MOD Single : A 60 TYR OH : rot 130:sc= 0 USER MOD Single : A 73 TYR OH : rot 15:sc=-0.00505 USER MOD Single : A 78 SER OG : rot 180:sc= -0.243 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.74 K(o=-0.74,f=-2.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc=0.000873 X(o=0.00087,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -147:sc= -0.0969 (180deg=-0.9) 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+ 130:sc= 1.18 (180deg=0.548) USER MOD Single : A 112 THR OG1 : rot -111:sc= 1.13 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.23) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.0521 K(o=-0.052,f=-0.88) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 149:sc= 0.0343 (180deg=0) 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+ -140:sc= -0.143 (180deg=-2.56!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 287 N ALA A 21 4.724 7.439 7.507 1.00 0.00 N ATOM 288 CA ALA A 21 3.390 6.955 7.819 1.00 0.00 C ATOM 289 C ALA A 21 3.487 5.855 8.878 1.00 0.00 C ATOM 290 O ALA A 21 4.567 5.322 9.129 1.00 0.00 O ATOM 291 CB ALA A 21 2.709 6.472 6.538 1.00 0.00 C ATOM 0 HA ALA A 21 2.777 7.757 8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.708 6.109 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.639 7.298 5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.294 5.665 6.097 1.00 0.00 H new ATOM 297 N ALA A 22 2.343 5.546 9.472 1.00 0.00 N ATOM 298 CA ALA A 22 2.286 4.519 10.498 1.00 0.00 C ATOM 299 C ALA A 22 2.036 3.161 9.840 1.00 0.00 C ATOM 300 O ALA A 22 1.262 3.060 8.889 1.00 0.00 O ATOM 301 CB ALA A 22 1.206 4.879 11.520 1.00 0.00 C ATOM 0 H ALA A 22 1.449 5.989 9.262 1.00 0.00 H new ATOM 0 HA ALA A 22 3.234 4.457 11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.163 4.109 12.290 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.445 5.838 11.979 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.240 4.947 11.020 1.00 0.00 H new ATOM 307 N VAL A 23 2.707 2.149 10.371 1.00 0.00 N ATOM 308 CA VAL A 23 2.568 0.801 9.847 1.00 0.00 C ATOM 309 C VAL A 23 1.621 0.004 10.747 1.00 0.00 C ATOM 310 O VAL A 23 1.560 0.239 11.953 1.00 0.00 O ATOM 311 CB VAL A 23 3.945 0.150 9.704 1.00 0.00 C ATOM 312 CG1 VAL A 23 3.821 -1.366 9.542 1.00 0.00 C ATOM 313 CG2 VAL A 23 4.724 0.765 8.539 1.00 0.00 C ATOM 0 H VAL A 23 3.349 2.236 11.159 1.00 0.00 H new ATOM 0 HA VAL A 23 2.128 0.823 8.850 1.00 0.00 H new ATOM 0 HB VAL A 23 4.504 0.344 10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.814 -1.804 9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.325 -1.786 10.417 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.235 -1.590 8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.699 0.284 8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.170 0.617 7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.859 1.832 8.715 1.00 0.00 H new ATOM 323 N ASP A 24 0.905 -0.921 10.125 1.00 0.00 N ATOM 324 CA ASP A 24 -0.037 -1.754 10.854 1.00 0.00 C ATOM 325 C ASP A 24 0.729 -2.850 11.599 1.00 0.00 C ATOM 326 O ASP A 24 1.727 -3.365 11.097 1.00 0.00 O ATOM 327 CB ASP A 24 -1.025 -2.430 9.903 1.00 0.00 C ATOM 328 CG ASP A 24 -0.489 -3.673 9.189 1.00 0.00 C ATOM 329 OD1 ASP A 24 0.219 -3.484 8.177 1.00 0.00 O ATOM 330 OD2 ASP A 24 -0.799 -4.783 9.673 1.00 0.00 O ATOM 0 H ASP A 24 0.958 -1.112 9.124 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.584 -1.116 11.548 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.915 -2.709 10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.337 -1.704 9.152 1.00 0.00 H new ATOM 335 N PRO A 25 0.219 -3.183 12.815 1.00 0.00 N ATOM 336 CA PRO A 25 0.843 -4.208 13.633 1.00 0.00 C ATOM 337 C PRO A 25 0.542 -5.605 13.086 1.00 0.00 C ATOM 338 O PRO A 25 1.264 -6.558 13.376 1.00 0.00 O ATOM 339 CB PRO A 25 0.290 -3.986 15.031 1.00 0.00 C ATOM 340 CG PRO A 25 -0.967 -3.150 14.855 1.00 0.00 C ATOM 341 CD PRO A 25 -0.962 -2.594 13.440 1.00 0.00 C ATOM 0 HA PRO A 25 1.931 -4.141 13.634 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.063 -4.935 15.516 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.016 -3.472 15.661 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.856 -3.757 15.023 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.992 -2.340 15.584 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.871 -2.867 12.904 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.908 -1.505 13.442 1.00 0.00 H new ATOM 349 N ASP A 26 -0.525 -5.682 12.304 1.00 0.00 N ATOM 350 CA ASP A 26 -0.930 -6.947 11.714 1.00 0.00 C ATOM 351 C ASP A 26 0.178 -7.450 10.786 1.00 0.00 C ATOM 352 O ASP A 26 0.307 -8.652 10.563 1.00 0.00 O ATOM 353 CB ASP A 26 -2.204 -6.783 10.883 1.00 0.00 C ATOM 354 CG ASP A 26 -3.428 -7.526 11.424 1.00 0.00 C ATOM 355 OD1 ASP A 26 -3.222 -8.404 12.289 1.00 0.00 O ATOM 356 OD2 ASP A 26 -4.541 -7.199 10.958 1.00 0.00 O ATOM 0 H ASP A 26 -1.121 -4.889 12.065 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.115 -7.653 12.523 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.442 -5.721 10.816 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.006 -7.130 9.869 1.00 0.00 H new ATOM 361 N SER A 27 0.950 -6.504 10.272 1.00 0.00 N ATOM 362 CA SER A 27 2.043 -6.836 9.373 1.00 0.00 C ATOM 363 C SER A 27 3.245 -7.339 10.175 1.00 0.00 C ATOM 364 O SER A 27 4.067 -8.094 9.659 1.00 0.00 O ATOM 365 CB SER A 27 2.441 -5.630 8.521 1.00 0.00 C ATOM 366 OG SER A 27 3.056 -4.606 9.298 1.00 0.00 O ATOM 0 H SER A 27 0.841 -5.508 10.461 1.00 0.00 H new ATOM 0 HA SER A 27 1.706 -7.625 8.701 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.127 -5.951 7.737 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.557 -5.228 8.027 1.00 0.00 H new ATOM 0 HG SER A 27 2.367 -4.103 9.781 1.00 0.00 H new ATOM 372 N GLY A 28 3.309 -6.900 11.424 1.00 0.00 N ATOM 373 CA GLY A 28 4.396 -7.296 12.302 1.00 0.00 C ATOM 374 C GLY A 28 5.697 -6.589 11.916 1.00 0.00 C ATOM 375 O GLY A 28 6.782 -7.030 12.292 1.00 0.00 O ATOM 0 H GLY A 28 2.625 -6.274 11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.140 -7.057 13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.535 -8.376 12.250 1.00 0.00 H new ATOM 379 N LEU A 29 5.545 -5.504 11.172 1.00 0.00 N ATOM 380 CA LEU A 29 6.695 -4.732 10.731 1.00 0.00 C ATOM 381 C LEU A 29 6.567 -3.297 11.248 1.00 0.00 C ATOM 382 O LEU A 29 7.372 -2.434 10.898 1.00 0.00 O ATOM 383 CB LEU A 29 6.854 -4.827 9.213 1.00 0.00 C ATOM 384 CG LEU A 29 6.464 -6.164 8.580 1.00 0.00 C ATOM 385 CD1 LEU A 29 6.338 -6.035 7.060 1.00 0.00 C ATOM 386 CD2 LEU A 29 7.443 -7.268 8.982 1.00 0.00 C ATOM 0 H LEU A 29 4.643 -5.141 10.863 1.00 0.00 H new ATOM 0 HA LEU A 29 7.614 -5.142 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.253 -4.042 8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.894 -4.619 8.963 1.00 0.00 H new ATOM 0 HG LEU A 29 5.484 -6.449 8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.060 -6.999 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.572 -5.298 6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.292 -5.716 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.142 -8.208 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.446 -7.004 8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.439 -7.381 10.066 1.00 0.00 H new ATOM 398 N GLU A 30 5.551 -3.086 12.071 1.00 0.00 N ATOM 399 CA GLU A 30 5.308 -1.771 12.639 1.00 0.00 C ATOM 400 C GLU A 30 6.493 -1.340 13.506 1.00 0.00 C ATOM 401 O GLU A 30 6.678 -0.152 13.765 1.00 0.00 O ATOM 402 CB GLU A 30 4.006 -1.752 13.441 1.00 0.00 C ATOM 403 CG GLU A 30 4.086 -2.700 14.640 1.00 0.00 C ATOM 404 CD GLU A 30 3.332 -2.128 15.842 1.00 0.00 C ATOM 405 OE1 GLU A 30 2.417 -1.311 15.602 1.00 0.00 O ATOM 406 OE2 GLU A 30 3.688 -2.521 16.974 1.00 0.00 O ATOM 0 H GLU A 30 4.886 -3.804 12.358 1.00 0.00 H new ATOM 0 HA GLU A 30 5.203 -1.058 11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.803 -0.739 13.787 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.175 -2.042 12.798 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.666 -3.669 14.371 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.129 -2.868 14.907 1.00 0.00 H new ATOM 413 N HIS A 31 7.265 -2.330 13.931 1.00 0.00 N ATOM 414 CA HIS A 31 8.426 -2.068 14.764 1.00 0.00 C ATOM 415 C HIS A 31 9.688 -2.564 14.055 1.00 0.00 C ATOM 416 O HIS A 31 10.754 -2.646 14.663 1.00 0.00 O ATOM 417 CB HIS A 31 8.247 -2.682 16.154 1.00 0.00 C ATOM 418 CG HIS A 31 7.471 -3.978 16.158 1.00 0.00 C ATOM 419 ND1 HIS A 31 7.703 -4.993 15.247 1.00 0.00 N ATOM 420 CD2 HIS A 31 6.466 -4.412 16.971 1.00 0.00 C ATOM 421 CE1 HIS A 31 6.868 -5.989 15.509 1.00 0.00 C ATOM 422 NE2 HIS A 31 6.102 -5.626 16.578 1.00 0.00 N ATOM 0 H HIS A 31 7.109 -3.314 13.714 1.00 0.00 H new ATOM 0 HA HIS A 31 8.534 -0.994 14.916 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.230 -2.858 16.592 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.737 -1.963 16.795 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.038 -3.861 17.795 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.805 -6.923 14.971 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.370 -6.194 17.005 1.00 0.00 H new ATOM 430 N SER A 32 9.525 -2.881 12.779 1.00 0.00 N ATOM 431 CA SER A 32 10.638 -3.366 11.981 1.00 0.00 C ATOM 432 C SER A 32 10.751 -2.551 10.691 1.00 0.00 C ATOM 433 O SER A 32 11.777 -1.920 10.438 1.00 0.00 O ATOM 434 CB SER A 32 10.477 -4.852 11.657 1.00 0.00 C ATOM 435 OG SER A 32 10.201 -5.626 12.822 1.00 0.00 O ATOM 0 H SER A 32 8.639 -2.811 12.278 1.00 0.00 H new ATOM 0 HA SER A 32 11.553 -3.245 12.561 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.669 -4.980 10.937 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.387 -5.221 11.184 1.00 0.00 H new ATOM 0 HG SER A 32 10.103 -6.569 12.573 1.00 0.00 H new ATOM 441 N ALA A 33 9.683 -2.590 9.908 1.00 0.00 N ATOM 442 CA ALA A 33 9.649 -1.863 8.651 1.00 0.00 C ATOM 443 C ALA A 33 8.793 -0.606 8.816 1.00 0.00 C ATOM 444 O ALA A 33 8.150 -0.420 9.848 1.00 0.00 O ATOM 445 CB ALA A 33 9.127 -2.782 7.544 1.00 0.00 C ATOM 0 H ALA A 33 8.834 -3.114 10.120 1.00 0.00 H new ATOM 0 HA ALA A 33 10.651 -1.544 8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.101 -2.237 6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.786 -3.645 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.122 -3.120 7.795 1.00 0.00 H new ATOM 451 N HIS A 34 8.813 0.225 7.784 1.00 0.00 N ATOM 452 CA HIS A 34 8.047 1.459 7.802 1.00 0.00 C ATOM 453 C HIS A 34 7.490 1.739 6.405 1.00 0.00 C ATOM 454 O HIS A 34 7.996 1.212 5.415 1.00 0.00 O ATOM 455 CB HIS A 34 8.891 2.614 8.346 1.00 0.00 C ATOM 456 CG HIS A 34 10.030 3.021 7.443 1.00 0.00 C ATOM 457 ND1 HIS A 34 10.083 3.173 6.088 1.00 0.00 N flip ATOM 458 CD2 HIS A 34 11.295 3.320 7.919 1.00 0.00 C flip ATOM 459 CE1 HIS A 34 11.313 3.547 5.756 1.00 0.00 C flip ATOM 460 NE2 HIS A 34 12.065 3.638 6.890 1.00 0.00 N flip ATOM 0 H HIS A 34 9.348 0.068 6.930 1.00 0.00 H new ATOM 0 HA HIS A 34 7.199 1.354 8.479 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.245 3.477 8.510 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.295 2.329 9.317 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.602 3.298 8.954 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.661 3.746 4.753 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.048 3.904 6.937 1.00 0.00 H new ATOM 468 N VAL A 35 6.456 2.567 6.369 1.00 0.00 N ATOM 469 CA VAL A 35 5.825 2.922 5.110 1.00 0.00 C ATOM 470 C VAL A 35 6.895 3.399 4.125 1.00 0.00 C ATOM 471 O VAL A 35 7.712 4.257 4.458 1.00 0.00 O ATOM 472 CB VAL A 35 4.727 3.960 5.349 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.931 4.221 4.069 1.00 0.00 C ATOM 474 CG2 VAL A 35 3.805 3.529 6.491 1.00 0.00 C ATOM 0 H VAL A 35 6.040 3.002 7.192 1.00 0.00 H new ATOM 0 HA VAL A 35 5.340 2.052 4.667 1.00 0.00 H new ATOM 0 HB VAL A 35 5.207 4.894 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.157 4.963 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.601 4.593 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.467 3.293 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.033 4.284 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.337 2.577 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.387 3.419 7.406 1.00 0.00 H new ATOM 484 N LEU A 36 6.855 2.823 2.933 1.00 0.00 N ATOM 485 CA LEU A 36 7.811 3.179 1.898 1.00 0.00 C ATOM 486 C LEU A 36 7.523 4.601 1.411 1.00 0.00 C ATOM 487 O LEU A 36 6.422 4.891 0.946 1.00 0.00 O ATOM 488 CB LEU A 36 7.805 2.134 0.781 1.00 0.00 C ATOM 489 CG LEU A 36 8.957 2.218 -0.223 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.501 2.874 -1.527 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.165 2.933 0.387 1.00 0.00 C ATOM 0 H LEU A 36 6.176 2.112 2.661 1.00 0.00 H new ATOM 0 HA LEU A 36 8.825 3.178 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.818 1.144 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.866 2.221 0.234 1.00 0.00 H new ATOM 0 HG LEU A 36 9.273 1.203 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.339 2.921 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.696 2.286 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.143 3.883 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.969 2.979 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.881 3.944 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.507 2.385 1.265 1.00 0.00 H new ATOM 503 N GLU A 37 8.533 5.450 1.534 1.00 0.00 N ATOM 504 CA GLU A 37 8.402 6.834 1.113 1.00 0.00 C ATOM 505 C GLU A 37 9.217 7.081 -0.158 1.00 0.00 C ATOM 506 O GLU A 37 10.315 6.548 -0.310 1.00 0.00 O ATOM 507 CB GLU A 37 8.826 7.790 2.230 1.00 0.00 C ATOM 508 CG GLU A 37 7.607 8.336 2.976 1.00 0.00 C ATOM 509 CD GLU A 37 7.954 8.660 4.431 1.00 0.00 C ATOM 510 OE1 GLU A 37 8.809 7.936 4.985 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.356 9.624 4.955 1.00 0.00 O ATOM 0 H GLU A 37 9.445 5.206 1.919 1.00 0.00 H new ATOM 0 HA GLU A 37 7.352 7.028 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.482 7.271 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.399 8.616 1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.243 9.234 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.800 7.604 2.945 1.00 0.00 H new ATOM 518 N LYS A 38 8.648 7.891 -1.040 1.00 0.00 N ATOM 519 CA LYS A 38 9.308 8.215 -2.293 1.00 0.00 C ATOM 520 C LYS A 38 8.846 9.594 -2.766 1.00 0.00 C ATOM 521 O LYS A 38 7.723 10.008 -2.481 1.00 0.00 O ATOM 522 CB LYS A 38 9.081 7.104 -3.321 1.00 0.00 C ATOM 523 CG LYS A 38 10.286 6.965 -4.253 1.00 0.00 C ATOM 524 CD LYS A 38 10.269 5.616 -4.974 1.00 0.00 C ATOM 525 CE LYS A 38 10.357 5.803 -6.490 1.00 0.00 C ATOM 526 NZ LYS A 38 9.013 5.703 -7.103 1.00 0.00 N ATOM 0 H LYS A 38 7.737 8.332 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 38 10.387 8.271 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.903 6.159 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.187 7.322 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.279 7.773 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.207 7.063 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.104 5.005 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.355 5.077 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.796 6.774 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.016 5.047 -6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.090 5.832 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.608 4.767 -6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.395 6.440 -6.707 1.00 0.00 H new ATOM 540 N GLY A 39 9.735 10.268 -3.481 1.00 0.00 N ATOM 541 CA GLY A 39 9.432 11.593 -3.996 1.00 0.00 C ATOM 542 C GLY A 39 8.632 12.407 -2.978 1.00 0.00 C ATOM 543 O GLY A 39 7.569 12.937 -3.298 1.00 0.00 O ATOM 0 H GLY A 39 10.665 9.922 -3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.359 12.114 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.866 11.506 -4.923 1.00 0.00 H new ATOM 547 N GLY A 40 9.175 12.483 -1.771 1.00 0.00 N ATOM 548 CA GLY A 40 8.525 13.224 -0.704 1.00 0.00 C ATOM 549 C GLY A 40 7.049 12.839 -0.588 1.00 0.00 C ATOM 550 O GLY A 40 6.201 13.688 -0.319 1.00 0.00 O ATOM 0 H GLY A 40 10.057 12.044 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.031 13.027 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.611 14.294 -0.895 1.00 0.00 H new ATOM 554 N LYS A 41 6.787 11.557 -0.798 1.00 0.00 N ATOM 555 CA LYS A 41 5.428 11.049 -0.720 1.00 0.00 C ATOM 556 C LYS A 41 5.407 9.793 0.153 1.00 0.00 C ATOM 557 O LYS A 41 6.453 9.209 0.433 1.00 0.00 O ATOM 558 CB LYS A 41 4.856 10.832 -2.123 1.00 0.00 C ATOM 559 CG LYS A 41 4.517 12.168 -2.789 1.00 0.00 C ATOM 560 CD LYS A 41 3.038 12.513 -2.603 1.00 0.00 C ATOM 561 CE LYS A 41 2.227 12.139 -3.845 1.00 0.00 C ATOM 562 NZ LYS A 41 1.105 13.085 -4.035 1.00 0.00 N ATOM 0 H LYS A 41 7.493 10.855 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 41 4.775 11.780 -0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.577 10.290 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.960 10.214 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.135 12.958 -2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.752 12.118 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.644 11.985 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.932 13.579 -2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.871 12.149 -4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.842 11.124 -3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.565 12.817 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.482 13.056 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.479 14.048 -4.153 1.00 0.00 H new ATOM 576 N VAL A 42 4.204 9.414 0.560 1.00 0.00 N ATOM 577 CA VAL A 42 4.033 8.237 1.395 1.00 0.00 C ATOM 578 C VAL A 42 3.205 7.196 0.640 1.00 0.00 C ATOM 579 O VAL A 42 2.235 7.539 -0.035 1.00 0.00 O ATOM 580 CB VAL A 42 3.414 8.634 2.737 1.00 0.00 C ATOM 581 CG1 VAL A 42 2.985 7.398 3.530 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.377 9.501 3.551 1.00 0.00 C ATOM 0 H VAL A 42 3.339 9.901 0.327 1.00 0.00 H new ATOM 0 HA VAL A 42 4.999 7.784 1.618 1.00 0.00 H new ATOM 0 HB VAL A 42 2.522 9.227 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.548 7.708 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.247 6.836 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.854 6.767 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.912 9.769 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.295 8.945 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.611 10.408 2.993 1.00 0.00 H new ATOM 592 N PHE A 43 3.618 5.945 0.778 1.00 0.00 N ATOM 593 CA PHE A 43 2.927 4.851 0.117 1.00 0.00 C ATOM 594 C PHE A 43 1.826 4.277 1.012 1.00 0.00 C ATOM 595 O PHE A 43 1.755 3.066 1.215 1.00 0.00 O ATOM 596 CB PHE A 43 3.967 3.763 -0.154 1.00 0.00 C ATOM 597 CG PHE A 43 4.831 4.021 -1.390 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.526 5.185 -1.502 1.00 0.00 C ATOM 599 CD2 PHE A 43 4.904 3.088 -2.376 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.328 5.425 -2.649 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.706 3.328 -3.523 1.00 0.00 C ATOM 602 CZ PHE A 43 6.401 4.491 -3.635 1.00 0.00 C ATOM 0 H PHE A 43 4.423 5.664 1.338 1.00 0.00 H new ATOM 0 HA PHE A 43 2.462 5.207 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.616 3.670 0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.456 2.808 -0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.468 5.926 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.352 2.164 -2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.880 6.349 -2.738 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.764 2.587 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.011 4.673 -4.507 1.00 0.00 H new ATOM 612 N SER A 44 0.995 5.174 1.523 1.00 0.00 N ATOM 613 CA SER A 44 -0.098 4.772 2.391 1.00 0.00 C ATOM 614 C SER A 44 -1.417 5.350 1.874 1.00 0.00 C ATOM 615 O SER A 44 -1.738 6.507 2.141 1.00 0.00 O ATOM 616 CB SER A 44 0.150 5.220 3.832 1.00 0.00 C ATOM 617 OG SER A 44 -1.047 5.219 4.605 1.00 0.00 O ATOM 0 H SER A 44 1.057 6.178 1.352 1.00 0.00 H new ATOM 0 HA SER A 44 -0.158 3.684 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.882 4.559 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.580 6.221 3.831 1.00 0.00 H new ATOM 0 HG SER A 44 -0.846 5.509 5.519 1.00 0.00 H new ATOM 623 N ALA A 45 -2.145 4.518 1.144 1.00 0.00 N ATOM 624 CA ALA A 45 -3.422 4.933 0.587 1.00 0.00 C ATOM 625 C ALA A 45 -4.530 4.034 1.141 1.00 0.00 C ATOM 626 O ALA A 45 -4.339 2.829 1.293 1.00 0.00 O ATOM 627 CB ALA A 45 -3.349 4.895 -0.940 1.00 0.00 C ATOM 0 H ALA A 45 -1.875 3.559 0.925 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.653 5.958 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.306 5.206 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.566 5.571 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.122 3.881 -1.268 1.00 0.00 H new ATOM 633 N THR A 46 -5.664 4.656 1.426 1.00 0.00 N ATOM 634 CA THR A 46 -6.803 3.928 1.959 1.00 0.00 C ATOM 635 C THR A 46 -8.014 4.082 1.036 1.00 0.00 C ATOM 636 O THR A 46 -8.732 5.078 1.109 1.00 0.00 O ATOM 637 CB THR A 46 -7.058 4.425 3.383 1.00 0.00 C ATOM 638 OG1 THR A 46 -5.886 4.045 4.098 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.184 3.658 4.079 1.00 0.00 C ATOM 0 H THR A 46 -5.819 5.656 1.298 1.00 0.00 H new ATOM 0 HA THR A 46 -6.602 2.858 2.004 1.00 0.00 H new ATOM 0 HB THR A 46 -7.304 5.487 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.966 4.331 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.323 4.051 5.086 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.108 3.775 3.513 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.924 2.601 4.135 1.00 0.00 H new ATOM 647 N LEU A 47 -8.203 3.081 0.189 1.00 0.00 N ATOM 648 CA LEU A 47 -9.314 3.092 -0.747 1.00 0.00 C ATOM 649 C LEU A 47 -10.573 2.580 -0.044 1.00 0.00 C ATOM 650 O LEU A 47 -10.496 2.034 1.056 1.00 0.00 O ATOM 651 CB LEU A 47 -8.956 2.312 -2.013 1.00 0.00 C ATOM 652 CG LEU A 47 -7.618 2.667 -2.665 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.240 1.642 -3.735 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.640 4.093 -3.219 1.00 0.00 C ATOM 0 H LEU A 47 -7.605 2.257 0.131 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.524 4.110 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.949 1.249 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.747 2.466 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.844 2.631 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.285 1.918 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.156 0.655 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.010 1.621 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.677 4.320 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.428 4.180 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.831 4.796 -2.408 1.00 0.00 H new ATOM 666 N GLY A 48 -11.703 2.773 -0.708 1.00 0.00 N ATOM 667 CA GLY A 48 -12.977 2.337 -0.160 1.00 0.00 C ATOM 668 C GLY A 48 -14.077 2.389 -1.223 1.00 0.00 C ATOM 669 O GLY A 48 -14.072 3.267 -2.084 1.00 0.00 O ATOM 0 H GLY A 48 -11.763 3.225 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.884 1.321 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.251 2.971 0.683 1.00 0.00 H new ATOM 673 N LEU A 49 -14.993 1.437 -1.126 1.00 0.00 N ATOM 674 CA LEU A 49 -16.097 1.364 -2.068 1.00 0.00 C ATOM 675 C LEU A 49 -17.365 0.930 -1.329 1.00 0.00 C ATOM 676 O LEU A 49 -17.294 0.186 -0.352 1.00 0.00 O ATOM 677 CB LEU A 49 -15.735 0.461 -3.249 1.00 0.00 C ATOM 678 CG LEU A 49 -16.735 0.436 -4.406 1.00 0.00 C ATOM 679 CD1 LEU A 49 -16.224 1.258 -5.591 1.00 0.00 C ATOM 680 CD2 LEU A 49 -17.073 -1.001 -4.808 1.00 0.00 C ATOM 0 H LEU A 49 -14.994 0.710 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.297 2.346 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.767 0.776 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.613 -0.557 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 49 -17.661 0.901 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.954 1.223 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.076 2.292 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.277 0.845 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.786 -0.990 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.164 -1.515 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -17.510 -1.524 -3.957 1.00 0.00 H new ATOM 692 N VAL A 50 -18.495 1.413 -1.823 1.00 0.00 N ATOM 693 CA VAL A 50 -19.776 1.085 -1.222 1.00 0.00 C ATOM 694 C VAL A 50 -20.823 0.913 -2.324 1.00 0.00 C ATOM 695 O VAL A 50 -20.873 1.703 -3.266 1.00 0.00 O ATOM 696 CB VAL A 50 -20.160 2.151 -0.193 1.00 0.00 C ATOM 697 CG1 VAL A 50 -21.508 1.827 0.455 1.00 0.00 C ATOM 698 CG2 VAL A 50 -19.067 2.311 0.865 1.00 0.00 C ATOM 0 H VAL A 50 -18.550 2.030 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.714 0.140 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 50 -20.260 3.102 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -21.757 2.600 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -22.281 1.788 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -21.447 0.862 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.365 3.074 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -18.920 1.363 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -18.136 2.610 0.384 1.00 0.00 H new ATOM 708 N ASP A 51 -21.633 -0.124 -2.170 1.00 0.00 N ATOM 709 CA ASP A 51 -22.676 -0.410 -3.141 1.00 0.00 C ATOM 710 C ASP A 51 -23.965 0.298 -2.721 1.00 0.00 C ATOM 711 O ASP A 51 -24.351 0.252 -1.554 1.00 0.00 O ATOM 712 CB ASP A 51 -22.963 -1.911 -3.215 1.00 0.00 C ATOM 713 CG ASP A 51 -23.271 -2.442 -4.616 1.00 0.00 C ATOM 714 OD1 ASP A 51 -23.982 -1.723 -5.352 1.00 0.00 O ATOM 715 OD2 ASP A 51 -22.788 -3.554 -4.921 1.00 0.00 O ATOM 0 H ASP A 51 -21.588 -0.777 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.335 -0.060 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -22.102 -2.450 -2.820 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.807 -2.137 -2.564 1.00 0.00 H new ATOM 720 N ILE A 52 -24.596 0.937 -3.695 1.00 0.00 N ATOM 721 CA ILE A 52 -25.835 1.654 -3.441 1.00 0.00 C ATOM 722 C ILE A 52 -27.012 0.682 -3.542 1.00 0.00 C ATOM 723 O ILE A 52 -28.006 0.830 -2.834 1.00 0.00 O ATOM 724 CB ILE A 52 -25.954 2.863 -4.371 1.00 0.00 C ATOM 725 CG1 ILE A 52 -27.279 3.596 -4.149 1.00 0.00 C ATOM 726 CG2 ILE A 52 -25.763 2.452 -5.832 1.00 0.00 C ATOM 727 CD1 ILE A 52 -27.062 5.109 -4.073 1.00 0.00 C ATOM 0 H ILE A 52 -24.273 0.973 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.841 2.058 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 52 -25.154 3.562 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -27.968 3.364 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.743 3.245 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -25.852 3.330 -6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -24.775 2.009 -5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -26.525 1.723 -6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.019 5.606 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.392 5.339 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.620 5.460 -5.005 1.00 0.00 H new ATOM 739 N VAL A 53 -26.859 -0.291 -4.429 1.00 0.00 N ATOM 740 CA VAL A 53 -27.898 -1.288 -4.632 1.00 0.00 C ATOM 741 C VAL A 53 -27.776 -2.371 -3.558 1.00 0.00 C ATOM 742 O VAL A 53 -28.703 -2.584 -2.778 1.00 0.00 O ATOM 743 CB VAL A 53 -27.817 -1.844 -6.054 1.00 0.00 C ATOM 744 CG1 VAL A 53 -28.542 -3.188 -6.159 1.00 0.00 C ATOM 745 CG2 VAL A 53 -28.372 -0.841 -7.068 1.00 0.00 C ATOM 0 H VAL A 53 -26.032 -0.410 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.886 -0.838 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 53 -26.766 -2.011 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -28.469 -3.562 -7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -28.082 -3.904 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -29.591 -3.057 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -28.302 -1.262 -8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -29.415 -0.628 -6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -27.794 0.082 -7.021 1.00 0.00 H new ATOM 755 N LYS A 54 -26.625 -3.027 -3.552 1.00 0.00 N ATOM 756 CA LYS A 54 -26.370 -4.082 -2.587 1.00 0.00 C ATOM 757 C LYS A 54 -26.301 -3.478 -1.183 1.00 0.00 C ATOM 758 O LYS A 54 -26.359 -4.201 -0.189 1.00 0.00 O ATOM 759 CB LYS A 54 -25.121 -4.875 -2.977 1.00 0.00 C ATOM 760 CG LYS A 54 -25.310 -5.563 -4.331 1.00 0.00 C ATOM 761 CD LYS A 54 -25.417 -7.080 -4.165 1.00 0.00 C ATOM 762 CE LYS A 54 -26.866 -7.504 -3.917 1.00 0.00 C ATOM 763 NZ LYS A 54 -26.946 -8.962 -3.675 1.00 0.00 N ATOM 0 H LYS A 54 -25.858 -2.848 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 54 -27.189 -4.802 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -24.261 -4.207 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.906 -5.621 -2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -26.210 -5.182 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -24.471 -5.323 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -25.038 -7.575 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.792 -7.403 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -27.267 -6.965 -3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -27.481 -7.238 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -27.936 -9.232 -3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -26.583 -9.472 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -26.375 -9.207 -2.841 1.00 0.00 H new ATOM 777 N GLY A 55 -26.178 -2.160 -1.146 1.00 0.00 N ATOM 778 CA GLY A 55 -26.100 -1.450 0.119 1.00 0.00 C ATOM 779 C GLY A 55 -24.992 -2.027 1.004 1.00 0.00 C ATOM 780 O GLY A 55 -25.077 -1.966 2.229 1.00 0.00 O ATOM 0 H GLY A 55 -26.130 -1.564 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.910 -0.392 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -27.056 -1.517 0.637 1.00 0.00 H new ATOM 784 N THR A 56 -23.979 -2.573 0.348 1.00 0.00 N ATOM 785 CA THR A 56 -22.856 -3.159 1.059 1.00 0.00 C ATOM 786 C THR A 56 -21.721 -2.143 1.195 1.00 0.00 C ATOM 787 O THR A 56 -21.715 -1.118 0.514 1.00 0.00 O ATOM 788 CB THR A 56 -22.444 -4.435 0.322 1.00 0.00 C ATOM 789 OG1 THR A 56 -22.472 -4.066 -1.054 1.00 0.00 O ATOM 790 CG2 THR A 56 -23.495 -5.541 0.432 1.00 0.00 C ATOM 0 H THR A 56 -23.913 -2.622 -0.669 1.00 0.00 H new ATOM 0 HA THR A 56 -23.131 -3.429 2.078 1.00 0.00 H new ATOM 0 HB THR A 56 -21.496 -4.794 0.722 1.00 0.00 H new ATOM 0 HG1 THR A 56 -22.216 -4.835 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 56 -23.152 -6.423 -0.108 1.00 0.00 H new ATOM 0 HG22 THR A 56 -23.648 -5.795 1.481 1.00 0.00 H new ATOM 0 HG23 THR A 56 -24.435 -5.194 0.002 1.00 0.00 H new ATOM 798 N ASN A 57 -20.787 -2.461 2.079 1.00 0.00 N ATOM 799 CA ASN A 57 -19.649 -1.588 2.313 1.00 0.00 C ATOM 800 C ASN A 57 -18.358 -2.340 1.983 1.00 0.00 C ATOM 801 O ASN A 57 -18.212 -3.512 2.328 1.00 0.00 O ATOM 802 CB ASN A 57 -19.581 -1.153 3.778 1.00 0.00 C ATOM 803 CG ASN A 57 -20.817 -0.339 4.166 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.912 -0.550 3.671 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.582 0.600 5.078 1.00 0.00 N ATOM 0 H ASN A 57 -20.795 -3.311 2.642 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.764 -0.708 1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.504 -2.031 4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.683 -0.558 3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.343 1.196 5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.641 0.724 5.452 1.00 0.00 H new ATOM 812 N SER A 58 -17.454 -1.636 1.318 1.00 0.00 N ATOM 813 CA SER A 58 -16.181 -2.222 0.937 1.00 0.00 C ATOM 814 C SER A 58 -15.039 -1.265 1.285 1.00 0.00 C ATOM 815 O SER A 58 -15.175 -0.052 1.137 1.00 0.00 O ATOM 816 CB SER A 58 -16.154 -2.560 -0.555 1.00 0.00 C ATOM 817 OG SER A 58 -17.313 -3.283 -0.959 1.00 0.00 O ATOM 0 H SER A 58 -17.578 -0.664 1.033 1.00 0.00 H new ATOM 0 HA SER A 58 -16.052 -3.150 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.081 -1.639 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.264 -3.148 -0.778 1.00 0.00 H new ATOM 0 HG SER A 58 -17.259 -3.478 -1.918 1.00 0.00 H new ATOM 823 N TYR A 59 -13.939 -1.847 1.741 1.00 0.00 N ATOM 824 CA TYR A 59 -12.775 -1.061 2.111 1.00 0.00 C ATOM 825 C TYR A 59 -11.481 -1.788 1.738 1.00 0.00 C ATOM 826 O TYR A 59 -11.402 -3.012 1.836 1.00 0.00 O ATOM 827 CB TYR A 59 -12.838 -0.905 3.632 1.00 0.00 C ATOM 828 CG TYR A 59 -12.215 -2.071 4.403 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.843 -2.170 4.514 1.00 0.00 C ATOM 830 CD2 TYR A 59 -13.026 -3.023 4.988 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.257 -3.267 5.240 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.440 -4.120 5.714 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.084 -4.188 5.804 1.00 0.00 C ATOM 834 OH TYR A 59 -10.531 -5.224 6.490 1.00 0.00 O ATOM 0 H TYR A 59 -13.830 -2.854 1.862 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.778 -0.103 1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.329 0.017 3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.880 -0.799 3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.209 -1.425 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.100 -2.945 4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.185 -3.356 5.335 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.063 -4.872 6.176 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.323 -5.953 5.869 1.00 0.00 H new ATOM 844 N TYR A 60 -10.500 -1.004 1.318 1.00 0.00 N ATOM 845 CA TYR A 60 -9.214 -1.557 0.930 1.00 0.00 C ATOM 846 C TYR A 60 -8.064 -0.687 1.444 1.00 0.00 C ATOM 847 O TYR A 60 -8.175 0.537 1.478 1.00 0.00 O ATOM 848 CB TYR A 60 -9.197 -1.552 -0.600 1.00 0.00 C ATOM 849 CG TYR A 60 -7.960 -2.213 -1.211 1.00 0.00 C ATOM 850 CD1 TYR A 60 -7.925 -3.581 -1.388 1.00 0.00 C ATOM 851 CD2 TYR A 60 -6.879 -1.441 -1.586 1.00 0.00 C ATOM 852 CE1 TYR A 60 -6.761 -4.204 -1.963 1.00 0.00 C ATOM 853 CE2 TYR A 60 -5.715 -2.064 -2.161 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.713 -3.414 -2.321 1.00 0.00 C ATOM 855 OH TYR A 60 -4.614 -4.002 -2.864 1.00 0.00 O ATOM 0 H TYR A 60 -10.570 0.010 1.238 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.085 -2.556 1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.087 -2.064 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.256 -0.522 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.771 -4.185 -1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.906 -0.370 -1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.721 -5.274 -2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.862 -1.472 -2.459 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.368 -3.536 -3.690 1.00 0.00 H new ATOM 865 N LYS A 61 -6.987 -1.355 1.831 1.00 0.00 N ATOM 866 CA LYS A 61 -5.819 -0.658 2.341 1.00 0.00 C ATOM 867 C LYS A 61 -4.584 -1.094 1.550 1.00 0.00 C ATOM 868 O LYS A 61 -4.446 -2.267 1.205 1.00 0.00 O ATOM 869 CB LYS A 61 -5.687 -0.867 3.851 1.00 0.00 C ATOM 870 CG LYS A 61 -5.950 0.435 4.610 1.00 0.00 C ATOM 871 CD LYS A 61 -4.654 1.222 4.814 1.00 0.00 C ATOM 872 CE LYS A 61 -4.361 1.420 6.302 1.00 0.00 C ATOM 873 NZ LYS A 61 -4.021 0.128 6.940 1.00 0.00 N ATOM 0 H LYS A 61 -6.899 -2.371 1.802 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.926 0.417 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.391 -1.632 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.687 -1.233 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.666 1.044 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.400 0.212 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.825 0.693 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.732 2.192 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.536 2.122 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.229 1.858 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.461 0.079 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.374 -0.653 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.988 0.049 7.036 1.00 0.00 H new ATOM 887 N LEU A 62 -3.718 -0.127 1.286 1.00 0.00 N ATOM 888 CA LEU A 62 -2.499 -0.397 0.542 1.00 0.00 C ATOM 889 C LEU A 62 -1.333 0.350 1.193 1.00 0.00 C ATOM 890 O LEU A 62 -1.315 1.580 1.216 1.00 0.00 O ATOM 891 CB LEU A 62 -2.691 -0.065 -0.940 1.00 0.00 C ATOM 892 CG LEU A 62 -1.656 -0.657 -1.899 1.00 0.00 C ATOM 893 CD1 LEU A 62 -2.108 -2.022 -2.419 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.345 0.317 -3.038 1.00 0.00 C ATOM 0 H LEU A 62 -3.836 0.844 1.574 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.258 -1.459 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.679 -0.411 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.684 1.019 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.729 -0.814 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.354 -2.420 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.238 -2.706 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.054 -1.914 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.607 -0.128 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.258 0.528 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.949 1.245 -2.625 1.00 0.00 H new ATOM 906 N GLN A 63 -0.388 -0.424 1.705 1.00 0.00 N ATOM 907 CA GLN A 63 0.778 0.149 2.355 1.00 0.00 C ATOM 908 C GLN A 63 2.030 -0.657 2.005 1.00 0.00 C ATOM 909 O GLN A 63 2.085 -1.862 2.247 1.00 0.00 O ATOM 910 CB GLN A 63 0.580 0.225 3.870 1.00 0.00 C ATOM 911 CG GLN A 63 -0.503 1.243 4.231 1.00 0.00 C ATOM 912 CD GLN A 63 -0.700 1.321 5.746 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.669 0.827 6.299 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.272 1.966 6.386 1.00 0.00 N ATOM 0 H GLN A 63 -0.406 -1.444 1.683 1.00 0.00 H new ATOM 0 HA GLN A 63 0.911 1.167 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.303 -0.757 4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.519 0.502 4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.227 2.225 3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.442 0.965 3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.056 2.356 5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.233 2.070 7.400 1.00 0.00 H new ATOM 923 N LEU A 64 3.006 0.040 1.441 1.00 0.00 N ATOM 924 CA LEU A 64 4.254 -0.597 1.056 1.00 0.00 C ATOM 925 C LEU A 64 5.269 -0.448 2.191 1.00 0.00 C ATOM 926 O LEU A 64 5.895 0.601 2.335 1.00 0.00 O ATOM 927 CB LEU A 64 4.745 -0.046 -0.284 1.00 0.00 C ATOM 928 CG LEU A 64 5.713 -0.939 -1.063 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.098 -0.298 -2.398 1.00 0.00 C ATOM 930 CD2 LEU A 64 6.941 -1.285 -0.218 1.00 0.00 C ATOM 0 H LEU A 64 2.958 1.039 1.242 1.00 0.00 H new ATOM 0 HA LEU A 64 4.104 -1.665 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.877 0.151 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.232 0.913 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 64 5.204 -1.876 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.787 -0.954 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.202 -0.146 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.580 0.662 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.613 -1.920 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.460 -0.368 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.626 -1.813 0.682 1.00 0.00 H new ATOM 942 N LEU A 65 5.401 -1.514 2.967 1.00 0.00 N ATOM 943 CA LEU A 65 6.330 -1.515 4.085 1.00 0.00 C ATOM 944 C LEU A 65 7.750 -1.737 3.562 1.00 0.00 C ATOM 945 O LEU A 65 7.971 -2.579 2.693 1.00 0.00 O ATOM 946 CB LEU A 65 5.896 -2.534 5.140 1.00 0.00 C ATOM 947 CG LEU A 65 4.447 -2.429 5.619 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.147 -3.476 6.694 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.128 -1.011 6.096 1.00 0.00 C ATOM 0 H LEU A 65 4.881 -2.383 2.844 1.00 0.00 H new ATOM 0 HA LEU A 65 6.323 -0.548 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.052 -3.534 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.552 -2.433 6.005 1.00 0.00 H new ATOM 0 HG LEU A 65 3.792 -2.639 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.110 -3.379 7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.308 -4.474 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.808 -3.322 7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.092 -0.964 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.789 -0.748 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.276 -0.309 5.275 1.00 0.00 H new ATOM 961 N GLU A 66 8.677 -0.968 4.114 1.00 0.00 N ATOM 962 CA GLU A 66 10.070 -1.070 3.715 1.00 0.00 C ATOM 963 C GLU A 66 10.972 -1.147 4.948 1.00 0.00 C ATOM 964 O GLU A 66 10.588 -0.707 6.031 1.00 0.00 O ATOM 965 CB GLU A 66 10.470 0.102 2.816 1.00 0.00 C ATOM 966 CG GLU A 66 10.832 1.333 3.649 1.00 0.00 C ATOM 967 CD GLU A 66 12.302 1.711 3.457 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.782 1.564 2.313 1.00 0.00 O ATOM 969 OE2 GLU A 66 12.913 2.139 4.460 1.00 0.00 O ATOM 0 H GLU A 66 8.490 -0.271 4.835 1.00 0.00 H new ATOM 0 HA GLU A 66 10.196 -1.987 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.319 -0.184 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.649 0.344 2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.197 2.171 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.639 1.133 4.703 1.00 0.00 H new ATOM 976 N ASP A 67 12.153 -1.711 4.743 1.00 0.00 N ATOM 977 CA ASP A 67 13.113 -1.852 5.825 1.00 0.00 C ATOM 978 C ASP A 67 13.672 -0.474 6.188 1.00 0.00 C ATOM 979 O ASP A 67 14.112 0.271 5.314 1.00 0.00 O ATOM 980 CB ASP A 67 14.285 -2.743 5.410 1.00 0.00 C ATOM 981 CG ASP A 67 14.683 -3.807 6.435 1.00 0.00 C ATOM 982 OD1 ASP A 67 15.323 -3.419 7.436 1.00 0.00 O ATOM 983 OD2 ASP A 67 14.339 -4.984 6.194 1.00 0.00 O ATOM 0 H ASP A 67 12.467 -2.076 3.844 1.00 0.00 H new ATOM 0 HA ASP A 67 12.600 -2.304 6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.031 -3.239 4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.150 -2.110 5.211 1.00 0.00 H new ATOM 988 N ASP A 68 13.636 -0.178 7.479 1.00 0.00 N ATOM 989 CA ASP A 68 14.134 1.097 7.968 1.00 0.00 C ATOM 990 C ASP A 68 15.568 1.302 7.475 1.00 0.00 C ATOM 991 O ASP A 68 16.016 2.437 7.316 1.00 0.00 O ATOM 992 CB ASP A 68 14.150 1.131 9.498 1.00 0.00 C ATOM 993 CG ASP A 68 15.008 2.240 10.110 1.00 0.00 C ATOM 994 OD1 ASP A 68 14.920 3.376 9.595 1.00 0.00 O ATOM 995 OD2 ASP A 68 15.731 1.928 11.080 1.00 0.00 O ATOM 0 H ASP A 68 13.270 -0.799 8.201 1.00 0.00 H new ATOM 0 HA ASP A 68 13.475 1.882 7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.126 1.245 9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.510 0.170 9.864 1.00 0.00 H new ATOM 1051 N ARG A 72 14.911 -5.145 2.876 1.00 0.00 N ATOM 1052 CA ARG A 72 13.800 -6.022 2.545 1.00 0.00 C ATOM 1053 C ARG A 72 12.480 -5.251 2.602 1.00 0.00 C ATOM 1054 O ARG A 72 12.259 -4.458 3.517 1.00 0.00 O ATOM 1055 CB ARG A 72 13.731 -7.210 3.507 1.00 0.00 C ATOM 1056 CG ARG A 72 14.716 -8.306 3.095 1.00 0.00 C ATOM 1057 CD ARG A 72 14.946 -9.294 4.241 1.00 0.00 C ATOM 1058 NE ARG A 72 16.193 -10.057 4.008 1.00 0.00 N ATOM 1059 CZ ARG A 72 16.467 -11.240 4.575 1.00 0.00 C ATOM 1060 NH1 ARG A 72 15.584 -11.802 5.412 1.00 0.00 N ATOM 1061 NH2 ARG A 72 17.623 -11.860 4.306 1.00 0.00 N ATOM 0 HA ARG A 72 13.963 -6.396 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.956 -6.876 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.718 -7.613 3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.332 -8.837 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.665 -7.856 2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.010 -8.757 5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.101 -9.978 4.318 1.00 0.00 H new ATOM 0 HE ARG A 72 16.887 -9.657 3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.704 -11.329 5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.792 -12.702 5.844 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.295 -11.432 3.669 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.831 -12.760 4.738 1.00 0.00 H new ATOM 1075 N TYR A 73 11.637 -5.510 1.613 1.00 0.00 N ATOM 1076 CA TYR A 73 10.345 -4.850 1.540 1.00 0.00 C ATOM 1077 C TYR A 73 9.205 -5.871 1.563 1.00 0.00 C ATOM 1078 O TYR A 73 9.391 -7.022 1.172 1.00 0.00 O ATOM 1079 CB TYR A 73 10.324 -4.111 0.200 1.00 0.00 C ATOM 1080 CG TYR A 73 11.441 -3.077 0.043 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.691 -3.472 -0.390 1.00 0.00 C ATOM 1082 CD2 TYR A 73 11.199 -1.750 0.333 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.742 -2.499 -0.538 1.00 0.00 C ATOM 1084 CE2 TYR A 73 12.250 -0.777 0.185 1.00 0.00 C ATOM 1085 CZ TYR A 73 13.470 -1.199 -0.243 1.00 0.00 C ATOM 1086 OH TYR A 73 14.462 -0.280 -0.383 1.00 0.00 O ATOM 0 H TYR A 73 11.824 -6.168 0.856 1.00 0.00 H new ATOM 0 HA TYR A 73 10.208 -4.181 2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.401 -4.840 -0.607 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.362 -3.612 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.880 -4.511 -0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.221 -1.441 0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.724 -2.795 -0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.073 0.265 0.409 1.00 0.00 H new ATOM 0 HH TYR A 73 15.192 -0.664 -0.912 1.00 0.00 H new ATOM 1096 N TRP A 74 8.052 -5.412 2.025 1.00 0.00 N ATOM 1097 CA TRP A 74 6.882 -6.271 2.104 1.00 0.00 C ATOM 1098 C TRP A 74 5.709 -5.534 1.455 1.00 0.00 C ATOM 1099 O TRP A 74 5.758 -4.318 1.276 1.00 0.00 O ATOM 1100 CB TRP A 74 6.603 -6.685 3.550 1.00 0.00 C ATOM 1101 CG TRP A 74 7.651 -7.631 4.140 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.616 -8.969 4.196 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.898 -7.253 4.760 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.745 -9.480 4.804 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.549 -8.403 5.157 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.458 -5.982 4.977 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.795 -8.396 5.797 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.703 -5.992 5.617 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.371 -7.141 6.024 1.00 0.00 C ATOM 0 H TRP A 74 7.902 -4.456 2.349 1.00 0.00 H new ATOM 0 HA TRP A 74 7.049 -7.202 1.562 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.547 -5.790 4.169 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.626 -7.167 3.597 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.806 -9.572 3.813 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.951 -10.466 4.965 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.966 -5.069 4.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 11.285 -9.310 6.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.177 -5.041 5.808 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.331 -7.065 6.513 1.00 0.00 H new ATOM 1120 N ILE A 75 4.682 -6.301 1.121 1.00 0.00 N ATOM 1121 CA ILE A 75 3.498 -5.735 0.497 1.00 0.00 C ATOM 1122 C ILE A 75 2.267 -6.084 1.337 1.00 0.00 C ATOM 1123 O ILE A 75 1.719 -7.178 1.218 1.00 0.00 O ATOM 1124 CB ILE A 75 3.394 -6.187 -0.962 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.322 -5.364 -1.858 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.944 -6.144 -1.447 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.692 -4.014 -2.207 1.00 0.00 C ATOM 0 H ILE A 75 4.645 -7.309 1.271 1.00 0.00 H new ATOM 0 HA ILE A 75 3.566 -4.648 0.467 1.00 0.00 H new ATOM 0 HB ILE A 75 3.723 -7.224 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.275 -5.205 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.535 -5.917 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.898 -6.470 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.335 -6.806 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.564 -5.125 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.372 -3.449 -2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.752 -4.177 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.503 -3.453 -1.292 1.00 0.00 H new ATOM 1139 N PHE A 76 1.870 -5.132 2.168 1.00 0.00 N ATOM 1140 CA PHE A 76 0.714 -5.324 3.028 1.00 0.00 C ATOM 1141 C PHE A 76 -0.569 -4.868 2.332 1.00 0.00 C ATOM 1142 O PHE A 76 -0.786 -3.672 2.142 1.00 0.00 O ATOM 1143 CB PHE A 76 0.937 -4.465 4.275 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.186 -4.567 5.309 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.218 -5.613 6.177 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.152 -3.611 5.360 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.259 -5.708 7.137 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.194 -3.706 6.320 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.226 -4.752 7.189 1.00 0.00 C ATOM 0 H PHE A 76 2.328 -4.226 2.264 1.00 0.00 H new ATOM 0 HA PHE A 76 0.605 -6.380 3.275 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.876 -4.759 4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.045 -3.424 3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.549 -6.372 6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.127 -2.780 4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.284 -6.539 7.826 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.962 -2.947 6.360 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.018 -4.824 7.920 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.387 -5.845 1.970 1.00 0.00 N ATOM 1160 CA ARG A 77 -2.644 -5.559 1.298 1.00 0.00 C ATOM 1161 C ARG A 77 -3.819 -6.086 2.125 1.00 0.00 C ATOM 1162 O ARG A 77 -3.895 -7.279 2.412 1.00 0.00 O ATOM 1163 CB ARG A 77 -2.682 -6.195 -0.093 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.292 -6.204 -0.730 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.313 -5.527 -2.102 1.00 0.00 C ATOM 1166 NE ARG A 77 -0.190 -4.570 -2.211 1.00 0.00 N ATOM 1167 CZ ARG A 77 0.040 -3.578 -1.339 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -0.774 -3.408 -0.288 1.00 0.00 N ATOM 1169 NH2 ARG A 77 1.083 -2.757 -1.518 1.00 0.00 N ATOM 0 H ARG A 77 -1.204 -6.836 2.129 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.725 -4.477 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.059 -7.215 -0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.374 -5.644 -0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.586 -5.690 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.942 -7.231 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.239 -6.278 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.260 -5.007 -2.246 1.00 0.00 H new ATOM 0 HE ARG A 77 0.449 -4.671 -2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.568 -4.033 -0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.599 -2.653 0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.703 -2.886 -2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.258 -2.002 -0.854 1.00 0.00 H new ATOM 1183 N SER A 78 -4.706 -5.169 2.484 1.00 0.00 N ATOM 1184 CA SER A 78 -5.874 -5.526 3.272 1.00 0.00 C ATOM 1185 C SER A 78 -7.149 -5.253 2.471 1.00 0.00 C ATOM 1186 O SER A 78 -7.223 -4.272 1.732 1.00 0.00 O ATOM 1187 CB SER A 78 -5.902 -4.757 4.594 1.00 0.00 C ATOM 1188 OG SER A 78 -7.155 -4.115 4.812 1.00 0.00 O ATOM 0 H SER A 78 -4.639 -4.180 2.244 1.00 0.00 H new ATOM 0 HA SER A 78 -5.819 -6.590 3.503 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.698 -5.443 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.107 -4.011 4.596 1.00 0.00 H new ATOM 0 HG SER A 78 -7.133 -3.636 5.667 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.120 -6.137 2.646 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.388 -6.003 1.949 1.00 0.00 C ATOM 1196 C TRP A 79 -10.487 -6.558 2.857 1.00 0.00 C ATOM 1197 O TRP A 79 -10.245 -6.842 4.029 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.338 -6.689 0.583 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.002 -8.181 0.647 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -9.833 -9.204 0.889 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -7.702 -8.779 0.457 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.167 -10.412 0.868 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -7.830 -10.145 0.597 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.460 -8.184 0.175 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -6.755 -11.033 0.473 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.395 -9.085 0.054 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.507 -10.463 0.193 1.00 0.00 C ATOM 0 H TRP A 79 -8.054 -6.949 3.260 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.605 -4.955 1.740 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.302 -6.565 0.090 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.596 -6.186 -0.038 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -10.891 -9.096 1.077 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.580 -11.332 1.023 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.337 -7.117 0.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.881 -12.100 0.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.417 -8.680 -0.163 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -4.635 -11.092 0.086 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.673 -6.695 2.281 1.00 0.00 N ATOM 1219 CA GLY A 80 -12.810 -7.211 3.024 1.00 0.00 C ATOM 1220 C GLY A 80 -13.893 -6.141 3.181 1.00 0.00 C ATOM 1221 O GLY A 80 -13.592 -4.949 3.219 1.00 0.00 O ATOM 0 H GLY A 80 -11.871 -6.458 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.223 -8.078 2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.483 -7.550 4.007 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.130 -6.606 3.270 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.259 -5.704 3.422 1.00 0.00 C ATOM 1227 C ARG A 81 -16.320 -5.168 4.854 1.00 0.00 C ATOM 1228 O ARG A 81 -15.516 -5.554 5.700 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.576 -6.410 3.093 1.00 0.00 C ATOM 1230 CG ARG A 81 -17.831 -6.419 1.584 1.00 0.00 C ATOM 1231 CD ARG A 81 -19.022 -7.313 1.234 1.00 0.00 C ATOM 1232 NE ARG A 81 -19.346 -7.185 -0.204 1.00 0.00 N ATOM 1233 CZ ARG A 81 -20.201 -7.984 -0.855 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -20.824 -8.974 -0.201 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -20.434 -7.794 -2.161 1.00 0.00 N ATOM 0 H ARG A 81 -15.376 -7.596 3.240 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.119 -4.877 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.547 -7.434 3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.399 -5.908 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.020 -5.403 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.941 -6.773 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.790 -8.351 1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -19.886 -7.033 1.836 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.890 -6.442 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -20.647 -9.119 0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -21.475 -9.582 -0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.960 -7.041 -2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.085 -8.403 -2.657 1.00 0.00 H new ATOM 1328 N SER A 88 -9.561 -9.754 5.642 1.00 0.00 N ATOM 1329 CA SER A 88 -8.280 -10.439 5.613 1.00 0.00 C ATOM 1330 C SER A 88 -7.196 -9.499 5.083 1.00 0.00 C ATOM 1331 O SER A 88 -7.497 -8.409 4.597 1.00 0.00 O ATOM 1332 CB SER A 88 -8.351 -11.704 4.755 1.00 0.00 C ATOM 1333 OG SER A 88 -8.579 -12.870 5.542 1.00 0.00 O ATOM 0 HA SER A 88 -8.028 -10.737 6.631 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.150 -11.600 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.420 -11.818 4.199 1.00 0.00 H new ATOM 0 HG SER A 88 -8.620 -13.656 4.958 1.00 0.00 H new ATOM 1339 N ASN A 89 -5.956 -9.954 5.194 1.00 0.00 N ATOM 1340 CA ASN A 89 -4.826 -9.167 4.732 1.00 0.00 C ATOM 1341 C ASN A 89 -3.845 -10.077 3.991 1.00 0.00 C ATOM 1342 O ASN A 89 -4.082 -11.277 3.862 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.082 -8.528 5.907 1.00 0.00 C ATOM 1344 CG ASN A 89 -4.090 -9.450 7.127 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -5.127 -9.814 7.656 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -2.878 -9.807 7.543 1.00 0.00 N ATOM 0 H ASN A 89 -5.710 -10.858 5.597 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.207 -8.383 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.054 -8.312 5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.548 -7.576 6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.777 -10.422 8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.050 -9.466 7.054 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.763 -9.472 3.523 1.00 0.00 N ATOM 1354 CA LYS A 90 -1.745 -10.213 2.798 1.00 0.00 C ATOM 1355 C LYS A 90 -0.376 -9.586 3.066 1.00 0.00 C ATOM 1356 O LYS A 90 -0.237 -8.364 3.063 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.101 -10.300 1.313 1.00 0.00 C ATOM 1358 CG LYS A 90 -0.946 -10.897 0.506 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.429 -12.060 -0.363 1.00 0.00 C ATOM 1360 CE LYS A 90 -0.998 -13.403 0.230 1.00 0.00 C ATOM 1361 NZ LYS A 90 -1.962 -13.847 1.262 1.00 0.00 N ATOM 0 H LYS A 90 -2.569 -8.477 3.632 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.699 -11.243 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.994 -10.912 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.339 -9.306 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.502 -10.127 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.165 -11.244 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.515 -12.028 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.027 -11.957 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.931 -14.151 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.004 -13.312 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.655 -14.760 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.006 -13.140 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.904 -13.954 0.834 1.00 0.00 H new ATOM 1375 N LEU A 91 0.602 -10.452 3.293 1.00 0.00 N ATOM 1376 CA LEU A 91 1.956 -9.998 3.563 1.00 0.00 C ATOM 1377 C LEU A 91 2.939 -10.808 2.714 1.00 0.00 C ATOM 1378 O LEU A 91 3.185 -11.980 2.992 1.00 0.00 O ATOM 1379 CB LEU A 91 2.250 -10.052 5.063 1.00 0.00 C ATOM 1380 CG LEU A 91 3.527 -9.345 5.522 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.380 -7.826 5.417 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.921 -9.786 6.933 1.00 0.00 C ATOM 0 H LEU A 91 0.483 -11.465 3.295 1.00 0.00 H new ATOM 0 HA LEU A 91 2.072 -8.953 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.405 -9.615 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.309 -11.098 5.364 1.00 0.00 H new ATOM 0 HG LEU A 91 4.338 -9.637 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.301 -7.347 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.181 -7.550 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.553 -7.496 6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.832 -9.269 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.118 -9.542 7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.095 -10.862 6.943 1.00 0.00 H new ATOM 1394 N GLU A 92 3.474 -10.149 1.697 1.00 0.00 N ATOM 1395 CA GLU A 92 4.424 -10.793 0.806 1.00 0.00 C ATOM 1396 C GLU A 92 5.744 -10.019 0.790 1.00 0.00 C ATOM 1397 O GLU A 92 5.757 -8.809 0.570 1.00 0.00 O ATOM 1398 CB GLU A 92 3.850 -10.925 -0.606 1.00 0.00 C ATOM 1399 CG GLU A 92 2.857 -12.087 -0.687 1.00 0.00 C ATOM 1400 CD GLU A 92 2.468 -12.375 -2.138 1.00 0.00 C ATOM 1401 OE1 GLU A 92 2.338 -11.391 -2.897 1.00 0.00 O ATOM 1402 OE2 GLU A 92 2.311 -13.574 -2.456 1.00 0.00 O ATOM 0 H GLU A 92 3.268 -9.176 1.470 1.00 0.00 H new ATOM 0 HA GLU A 92 4.618 -11.799 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.353 -9.997 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.660 -11.083 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.298 -12.979 -0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.965 -11.849 -0.108 1.00 0.00 H new ATOM 1409 N GLN A 93 6.824 -10.750 1.027 1.00 0.00 N ATOM 1410 CA GLN A 93 8.146 -10.147 1.042 1.00 0.00 C ATOM 1411 C GLN A 93 8.648 -9.930 -0.387 1.00 0.00 C ATOM 1412 O GLN A 93 8.806 -10.886 -1.145 1.00 0.00 O ATOM 1413 CB GLN A 93 9.129 -11.003 1.844 1.00 0.00 C ATOM 1414 CG GLN A 93 10.477 -10.295 1.994 1.00 0.00 C ATOM 1415 CD GLN A 93 11.633 -11.236 1.647 1.00 0.00 C ATOM 1416 OE1 GLN A 93 12.154 -11.955 2.484 1.00 0.00 O ATOM 1417 NE2 GLN A 93 12.002 -11.190 0.370 1.00 0.00 N ATOM 0 H GLN A 93 6.810 -11.753 1.210 1.00 0.00 H new ATOM 0 HA GLN A 93 8.075 -9.176 1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.713 -11.214 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.271 -11.962 1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.507 -9.421 1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.591 -9.935 3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.522 -10.565 -0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.765 -11.780 0.038 1.00 0.00 H new ATOM 1426 N MET A 94 8.884 -8.668 -0.712 1.00 0.00 N ATOM 1427 CA MET A 94 9.365 -8.313 -2.036 1.00 0.00 C ATOM 1428 C MET A 94 10.873 -8.544 -2.153 1.00 0.00 C ATOM 1429 O MET A 94 11.609 -8.360 -1.185 1.00 0.00 O ATOM 1430 CB MET A 94 9.049 -6.843 -2.317 1.00 0.00 C ATOM 1431 CG MET A 94 7.599 -6.670 -2.774 1.00 0.00 C ATOM 1432 SD MET A 94 7.462 -7.032 -4.517 1.00 0.00 S ATOM 1433 CE MET A 94 6.131 -8.221 -4.483 1.00 0.00 C ATOM 0 H MET A 94 8.751 -7.878 -0.081 1.00 0.00 H new ATOM 0 HA MET A 94 8.863 -8.947 -2.766 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.223 -6.252 -1.418 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.723 -6.463 -3.084 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.948 -7.333 -2.204 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.266 -5.651 -2.578 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.915 -8.554 -5.498 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.423 -9.077 -3.875 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.241 -7.759 -4.056 1.00 0.00 H new ATOM 1443 N PRO A 95 11.299 -8.954 -3.378 1.00 0.00 N ATOM 1444 CA PRO A 95 12.706 -9.211 -3.633 1.00 0.00 C ATOM 1445 C PRO A 95 13.488 -7.903 -3.761 1.00 0.00 C ATOM 1446 O PRO A 95 14.528 -7.733 -3.127 1.00 0.00 O ATOM 1447 CB PRO A 95 12.729 -10.043 -4.905 1.00 0.00 C ATOM 1448 CG PRO A 95 11.377 -9.830 -5.567 1.00 0.00 C ATOM 1449 CD PRO A 95 10.455 -9.182 -4.547 1.00 0.00 C ATOM 0 HA PRO A 95 13.191 -9.743 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.540 -9.729 -5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.892 -11.097 -4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.479 -9.195 -6.447 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.964 -10.780 -5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.041 -8.247 -4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.612 -9.830 -4.307 1.00 0.00 H new ATOM 1457 N SER A 96 12.957 -7.011 -4.585 1.00 0.00 N ATOM 1458 CA SER A 96 13.593 -5.723 -4.804 1.00 0.00 C ATOM 1459 C SER A 96 12.634 -4.594 -4.421 1.00 0.00 C ATOM 1460 O SER A 96 11.420 -4.792 -4.383 1.00 0.00 O ATOM 1461 CB SER A 96 14.040 -5.570 -6.259 1.00 0.00 C ATOM 1462 OG SER A 96 15.252 -4.827 -6.370 1.00 0.00 O ATOM 0 H SER A 96 12.094 -7.155 -5.109 1.00 0.00 H new ATOM 0 HA SER A 96 14.480 -5.667 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.178 -6.557 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.256 -5.072 -6.829 1.00 0.00 H new ATOM 0 HG SER A 96 15.505 -4.753 -7.314 1.00 0.00 H new ATOM 1468 N LYS A 97 13.214 -3.435 -4.148 1.00 0.00 N ATOM 1469 CA LYS A 97 12.425 -2.274 -3.771 1.00 0.00 C ATOM 1470 C LYS A 97 11.417 -1.965 -4.879 1.00 0.00 C ATOM 1471 O LYS A 97 10.245 -1.712 -4.604 1.00 0.00 O ATOM 1472 CB LYS A 97 13.338 -1.096 -3.424 1.00 0.00 C ATOM 1473 CG LYS A 97 12.519 0.156 -3.101 1.00 0.00 C ATOM 1474 CD LYS A 97 13.176 1.407 -3.688 1.00 0.00 C ATOM 1475 CE LYS A 97 13.595 2.376 -2.581 1.00 0.00 C ATOM 1476 NZ LYS A 97 14.781 3.156 -2.998 1.00 0.00 N ATOM 0 H LYS A 97 14.221 -3.275 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 97 11.852 -2.481 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.964 -1.356 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.007 -0.892 -4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.511 0.049 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.424 0.264 -2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.048 1.122 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.482 1.903 -4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.771 3.051 -2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.819 1.822 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.053 3.809 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.570 2.508 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.555 3.700 -3.855 1.00 0.00 H new ATOM 1490 N GLU A 98 11.910 -1.996 -6.109 1.00 0.00 N ATOM 1491 CA GLU A 98 11.066 -1.722 -7.260 1.00 0.00 C ATOM 1492 C GLU A 98 9.911 -2.724 -7.322 1.00 0.00 C ATOM 1493 O GLU A 98 8.746 -2.332 -7.358 1.00 0.00 O ATOM 1494 CB GLU A 98 11.881 -1.745 -8.555 1.00 0.00 C ATOM 1495 CG GLU A 98 12.917 -0.618 -8.570 1.00 0.00 C ATOM 1496 CD GLU A 98 12.824 0.193 -9.864 1.00 0.00 C ATOM 1497 OE1 GLU A 98 11.935 1.070 -9.922 1.00 0.00 O ATOM 1498 OE2 GLU A 98 13.645 -0.081 -10.766 1.00 0.00 O ATOM 0 H GLU A 98 12.882 -2.207 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 98 10.648 -0.721 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.383 -2.707 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.214 -1.642 -9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.759 0.037 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.918 -1.038 -8.470 1.00 0.00 H new ATOM 1505 N ASP A 99 10.275 -3.998 -7.332 1.00 0.00 N ATOM 1506 CA ASP A 99 9.283 -5.059 -7.389 1.00 0.00 C ATOM 1507 C ASP A 99 8.169 -4.763 -6.384 1.00 0.00 C ATOM 1508 O ASP A 99 7.031 -5.191 -6.570 1.00 0.00 O ATOM 1509 CB ASP A 99 9.901 -6.410 -7.026 1.00 0.00 C ATOM 1510 CG ASP A 99 10.872 -6.977 -8.064 1.00 0.00 C ATOM 1511 OD1 ASP A 99 11.773 -6.214 -8.474 1.00 0.00 O ATOM 1512 OD2 ASP A 99 10.692 -8.160 -8.423 1.00 0.00 O ATOM 0 H ASP A 99 11.243 -4.320 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 99 8.893 -5.103 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.426 -6.309 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.098 -7.130 -6.871 1.00 0.00 H new ATOM 1517 N ALA A 100 8.534 -4.033 -5.340 1.00 0.00 N ATOM 1518 CA ALA A 100 7.579 -3.676 -4.306 1.00 0.00 C ATOM 1519 C ALA A 100 6.737 -2.491 -4.783 1.00 0.00 C ATOM 1520 O ALA A 100 5.511 -2.518 -4.687 1.00 0.00 O ATOM 1521 CB ALA A 100 8.325 -3.374 -3.004 1.00 0.00 C ATOM 0 H ALA A 100 9.479 -3.679 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 100 6.900 -4.505 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.608 -3.106 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.885 -4.256 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.014 -2.545 -3.163 1.00 0.00 H new ATOM 1527 N ILE A 101 7.428 -1.479 -5.286 1.00 0.00 N ATOM 1528 CA ILE A 101 6.759 -0.287 -5.778 1.00 0.00 C ATOM 1529 C ILE A 101 5.759 -0.681 -6.868 1.00 0.00 C ATOM 1530 O ILE A 101 4.596 -0.287 -6.820 1.00 0.00 O ATOM 1531 CB ILE A 101 7.784 0.755 -6.231 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.493 1.384 -5.031 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.134 1.808 -7.130 1.00 0.00 C ATOM 1534 CD1 ILE A 101 10.011 1.377 -5.226 1.00 0.00 C ATOM 0 H ILE A 101 8.445 -1.460 -5.363 1.00 0.00 H new ATOM 0 HA ILE A 101 6.189 0.187 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 101 8.545 0.250 -6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.145 2.408 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.237 0.836 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.884 2.537 -7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.714 1.324 -8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.340 2.315 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.491 1.830 -4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.359 0.350 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.266 1.946 -6.120 1.00 0.00 H new ATOM 1546 N GLU A 102 6.251 -1.455 -7.824 1.00 0.00 N ATOM 1547 CA GLU A 102 5.416 -1.907 -8.924 1.00 0.00 C ATOM 1548 C GLU A 102 4.118 -2.518 -8.389 1.00 0.00 C ATOM 1549 O GLU A 102 3.034 -2.207 -8.880 1.00 0.00 O ATOM 1550 CB GLU A 102 6.167 -2.904 -9.809 1.00 0.00 C ATOM 1551 CG GLU A 102 7.540 -2.359 -10.206 1.00 0.00 C ATOM 1552 CD GLU A 102 7.915 -2.798 -11.623 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.289 -2.268 -12.566 1.00 0.00 O ATOM 1554 OE2 GLU A 102 8.820 -3.653 -11.731 1.00 0.00 O ATOM 0 H GLU A 102 7.217 -1.781 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 102 5.162 -1.044 -9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.286 -3.849 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.582 -3.113 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.534 -1.271 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.293 -2.711 -9.501 1.00 0.00 H new ATOM 1561 N HIS A 103 4.273 -3.375 -7.391 1.00 0.00 N ATOM 1562 CA HIS A 103 3.127 -4.031 -6.785 1.00 0.00 C ATOM 1563 C HIS A 103 2.195 -2.981 -6.179 1.00 0.00 C ATOM 1564 O HIS A 103 1.005 -2.948 -6.491 1.00 0.00 O ATOM 1565 CB HIS A 103 3.579 -5.080 -5.766 1.00 0.00 C ATOM 1566 CG HIS A 103 2.704 -6.311 -5.724 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.402 -7.154 -4.695 1.00 0.00 N flip ATOM 1568 CD2 HIS A 103 2.030 -6.790 -6.833 1.00 0.00 C flip ATOM 1569 CE1 HIS A 103 1.586 -8.097 -5.151 1.00 0.00 C flip ATOM 1570 NE2 HIS A 103 1.355 -7.873 -6.477 1.00 0.00 N flip ATOM 0 H HIS A 103 5.174 -3.630 -6.987 1.00 0.00 H new ATOM 0 HA HIS A 103 2.565 -4.568 -7.549 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.601 -5.381 -5.998 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.597 -4.626 -4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.051 -6.355 -7.821 1.00 0.00 H new ATOM 0 HE1 HIS A 103 1.173 -8.907 -4.569 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.766 -8.440 -7.087 1.00 0.00 H new ATOM 1578 N PHE A 104 2.770 -2.147 -5.325 1.00 0.00 N ATOM 1579 CA PHE A 104 2.005 -1.098 -4.673 1.00 0.00 C ATOM 1580 C PHE A 104 1.434 -0.117 -5.700 1.00 0.00 C ATOM 1581 O PHE A 104 0.420 0.531 -5.447 1.00 0.00 O ATOM 1582 CB PHE A 104 2.968 -0.349 -3.750 1.00 0.00 C ATOM 1583 CG PHE A 104 2.350 0.870 -3.063 1.00 0.00 C ATOM 1584 CD1 PHE A 104 2.409 2.090 -3.660 1.00 0.00 C ATOM 1585 CD2 PHE A 104 1.743 0.734 -1.854 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.836 3.222 -3.022 1.00 0.00 C ATOM 1587 CE2 PHE A 104 1.170 1.865 -1.215 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.228 3.085 -1.813 1.00 0.00 C ATOM 0 H PHE A 104 3.757 -2.177 -5.070 1.00 0.00 H new ATOM 0 HA PHE A 104 1.171 -1.533 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.333 -1.037 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.833 -0.027 -4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.892 2.198 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.697 -0.235 -1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.883 4.191 -3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 104 0.688 1.756 -0.254 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.791 3.945 -1.328 1.00 0.00 H new ATOM 1598 N MET A 105 2.112 -0.038 -6.836 1.00 0.00 N ATOM 1599 CA MET A 105 1.685 0.853 -7.901 1.00 0.00 C ATOM 1600 C MET A 105 0.622 0.189 -8.778 1.00 0.00 C ATOM 1601 O MET A 105 -0.339 0.836 -9.192 1.00 0.00 O ATOM 1602 CB MET A 105 2.892 1.234 -8.762 1.00 0.00 C ATOM 1603 CG MET A 105 3.544 2.521 -8.253 1.00 0.00 C ATOM 1604 SD MET A 105 3.544 3.756 -9.541 1.00 0.00 S ATOM 1605 CE MET A 105 4.505 2.907 -10.784 1.00 0.00 C ATOM 0 H MET A 105 2.954 -0.576 -7.042 1.00 0.00 H new ATOM 0 HA MET A 105 1.252 1.746 -7.451 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.621 0.424 -8.751 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.578 1.366 -9.797 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.004 2.892 -7.382 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.566 2.318 -7.932 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.088 3.632 -11.352 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.178 2.198 -10.302 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.836 2.372 -11.458 1.00 0.00 H new ATOM 1615 N LYS A 106 0.830 -1.094 -9.036 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.100 -1.852 -9.856 1.00 0.00 C ATOM 1617 C LYS A 106 -1.352 -2.173 -9.038 1.00 0.00 C ATOM 1618 O LYS A 106 -2.472 -1.992 -9.513 1.00 0.00 O ATOM 1619 CB LYS A 106 0.587 -3.089 -10.440 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.390 -4.262 -10.543 1.00 0.00 C ATOM 1621 CD LYS A 106 0.317 -5.523 -11.042 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.170 -5.906 -12.441 1.00 0.00 C ATOM 1623 NZ LYS A 106 -1.246 -6.918 -12.356 1.00 0.00 N ATOM 0 H LYS A 106 1.628 -1.627 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.422 -1.260 -10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.986 -2.856 -11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.433 -3.370 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.838 -4.454 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.203 -4.004 -11.222 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.394 -5.357 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.133 -6.345 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.536 -5.020 -12.960 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.661 -6.298 -13.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.565 -7.167 -13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.885 -7.769 -11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -2.045 -6.530 -11.815 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.120 -2.644 -7.821 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.215 -2.991 -6.932 1.00 0.00 C ATOM 1639 C LEU A 107 -3.231 -1.848 -6.910 1.00 0.00 C ATOM 1640 O LEU A 107 -4.388 -2.033 -7.284 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.682 -3.368 -5.548 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.270 -4.829 -5.362 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -2.490 -5.752 -5.393 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -0.217 -5.237 -6.395 1.00 0.00 C ATOM 0 H LEU A 107 -0.190 -2.793 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.738 -3.874 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.820 -2.738 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.447 -3.130 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.814 -4.932 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.168 -6.785 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.174 -5.478 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.998 -5.652 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.059 -6.280 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.625 -5.114 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.666 -4.608 -6.282 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.762 -0.690 -6.468 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.615 0.484 -6.392 1.00 0.00 C ATOM 1658 C TYR A 108 -4.189 0.833 -7.766 1.00 0.00 C ATOM 1659 O TYR A 108 -5.113 1.639 -7.870 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.716 1.629 -5.922 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.467 2.929 -5.630 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.694 3.838 -6.644 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.917 3.194 -4.353 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.400 5.062 -6.369 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.624 4.419 -4.078 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.831 5.292 -5.099 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.498 6.448 -4.840 1.00 0.00 O ATOM 0 H TYR A 108 -1.802 -0.540 -6.159 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.453 0.307 -5.718 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.188 1.316 -5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.961 1.821 -6.684 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.342 3.631 -7.644 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.739 2.483 -3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.583 5.782 -7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.981 4.639 -3.083 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.746 6.477 -3.892 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.619 0.210 -8.787 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.062 0.445 -10.150 1.00 0.00 C ATOM 1679 C GLU A 109 -5.070 -0.626 -10.573 1.00 0.00 C ATOM 1680 O GLU A 109 -5.820 -0.435 -11.529 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.874 0.491 -11.113 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.343 0.403 -12.567 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.154 0.433 -13.530 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.157 1.100 -13.179 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.269 -0.212 -14.594 1.00 0.00 O ATOM 0 H GLU A 109 -2.853 -0.458 -8.697 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.556 1.416 -10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.315 1.415 -10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.193 -0.332 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.912 -0.515 -12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.015 1.233 -12.787 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.054 -1.730 -9.840 1.00 0.00 N ATOM 1693 CA GLU A 110 -5.956 -2.832 -10.127 1.00 0.00 C ATOM 1694 C GLU A 110 -7.292 -2.624 -9.411 1.00 0.00 C ATOM 1695 O GLU A 110 -8.334 -3.065 -9.893 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.328 -4.171 -9.738 1.00 0.00 C ATOM 1697 CG GLU A 110 -5.782 -4.605 -8.343 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.215 -5.980 -7.985 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.648 -6.616 -8.900 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -5.362 -6.365 -6.805 1.00 0.00 O ATOM 0 H GLU A 110 -4.430 -1.885 -9.048 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.141 -2.854 -11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.605 -4.932 -10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.241 -4.087 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.457 -3.871 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.871 -4.635 -8.304 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.218 -1.952 -8.271 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.408 -1.681 -7.483 1.00 0.00 C ATOM 1709 C LYS A 111 -9.128 -0.460 -8.059 1.00 0.00 C ATOM 1710 O LYS A 111 -10.237 -0.577 -8.578 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.050 -1.541 -6.002 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.562 -2.873 -5.428 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.687 -3.910 -5.417 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.321 -5.106 -4.535 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.305 -5.263 -3.440 1.00 0.00 N ATOM 0 H LYS A 111 -6.352 -1.587 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.102 -2.519 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.276 -0.783 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -8.921 -1.198 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.726 -3.244 -6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.191 -2.722 -4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.606 -3.451 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.883 -4.250 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.291 -6.014 -5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.324 -4.966 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.633 -6.249 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.859 -5.016 -2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.116 -4.634 -3.609 1.00 0.00 H new ATOM 1729 N THR A 112 -8.468 0.683 -7.949 1.00 0.00 N ATOM 1730 CA THR A 112 -9.032 1.924 -8.453 1.00 0.00 C ATOM 1731 C THR A 112 -9.110 1.893 -9.980 1.00 0.00 C ATOM 1732 O THR A 112 -9.898 2.622 -10.580 1.00 0.00 O ATOM 1733 CB THR A 112 -8.189 3.080 -7.910 1.00 0.00 C ATOM 1734 OG1 THR A 112 -6.967 2.991 -8.638 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.772 2.868 -6.454 1.00 0.00 C ATOM 0 H THR A 112 -7.548 0.776 -7.518 1.00 0.00 H new ATOM 0 HA THR A 112 -10.058 2.061 -8.110 1.00 0.00 H new ATOM 0 HB THR A 112 -8.752 4.010 -7.994 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.247 2.711 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.176 3.717 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.661 2.780 -5.830 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.181 1.956 -6.374 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.281 1.041 -10.566 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.246 0.906 -12.012 1.00 0.00 C ATOM 1745 C GLY A 113 -7.414 2.022 -12.648 1.00 0.00 C ATOM 1746 O GLY A 113 -7.166 2.007 -13.852 1.00 0.00 O ATOM 0 H GLY A 113 -7.629 0.438 -10.065 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.826 -0.063 -12.280 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.261 0.934 -12.408 1.00 0.00 H new ATOM 1750 N ASN A 114 -7.006 2.963 -11.809 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.207 4.084 -12.273 1.00 0.00 C ATOM 1752 C ASN A 114 -4.802 3.985 -11.677 1.00 0.00 C ATOM 1753 O ASN A 114 -4.637 3.561 -10.534 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.817 5.416 -11.830 1.00 0.00 C ATOM 1755 CG ASN A 114 -7.932 5.853 -12.782 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -7.771 6.746 -13.598 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -9.067 5.176 -12.633 1.00 0.00 N ATOM 0 H ASN A 114 -7.214 2.972 -10.810 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.174 4.047 -13.362 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.214 5.320 -10.819 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -6.042 6.182 -11.797 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.871 5.393 -13.222 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.133 4.440 -11.930 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.825 4.385 -12.478 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.439 4.347 -12.043 1.00 0.00 C ATOM 1766 C ALA A 115 -2.278 5.206 -10.788 1.00 0.00 C ATOM 1767 O ALA A 115 -3.055 6.133 -10.563 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.532 4.809 -13.186 1.00 0.00 C ATOM 0 H ALA A 115 -3.966 4.737 -13.425 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.146 3.329 -11.785 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.492 4.781 -12.860 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.662 4.148 -14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.795 5.828 -13.470 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.266 4.868 -10.003 1.00 0.00 N ATOM 1775 CA TRP A 116 -0.994 5.597 -8.776 1.00 0.00 C ATOM 1776 C TRP A 116 -0.582 7.022 -9.154 1.00 0.00 C ATOM 1777 O TRP A 116 -1.090 7.989 -8.590 1.00 0.00 O ATOM 1778 CB TRP A 116 0.058 4.876 -7.931 1.00 0.00 C ATOM 1779 CG TRP A 116 0.739 5.767 -6.891 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.672 6.707 -7.094 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.501 5.764 -5.467 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.051 7.307 -5.910 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.316 6.716 -4.890 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.375 4.983 -4.693 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.337 6.975 -3.514 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.343 5.254 -3.320 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.472 6.209 -2.723 1.00 0.00 C ATOM 0 H TRP A 116 -0.624 4.098 -10.193 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.886 5.646 -8.151 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.414 4.036 -7.421 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.818 4.461 -8.593 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.077 6.963 -8.062 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.744 8.048 -5.804 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.022 4.233 -5.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 1.985 7.725 -3.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.997 4.681 -2.680 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.438 6.359 -1.654 1.00 0.00 H new ATOM 1798 N HIS A 117 0.335 7.105 -10.107 1.00 0.00 N ATOM 1799 CA HIS A 117 0.821 8.395 -10.568 1.00 0.00 C ATOM 1800 C HIS A 117 0.267 8.683 -11.964 1.00 0.00 C ATOM 1801 O HIS A 117 0.952 8.471 -12.964 1.00 0.00 O ATOM 1802 CB HIS A 117 2.349 8.451 -10.513 1.00 0.00 C ATOM 1803 CG HIS A 117 2.891 9.434 -9.503 1.00 0.00 C ATOM 1804 ND1 HIS A 117 4.129 9.285 -8.903 1.00 0.00 N ATOM 1805 CD2 HIS A 117 2.352 10.579 -8.995 1.00 0.00 C ATOM 1806 CE1 HIS A 117 4.316 10.301 -8.073 1.00 0.00 C ATOM 1807 NE2 HIS A 117 3.213 11.101 -8.131 1.00 0.00 N ATOM 0 H HIS A 117 0.754 6.300 -10.573 1.00 0.00 H new ATOM 0 HA HIS A 117 0.463 9.181 -9.904 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.731 7.457 -10.279 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.729 8.714 -11.500 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.387 10.991 -9.252 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.189 10.466 -7.459 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.073 11.959 -7.598 1.00 0.00 H new ATOM 1815 N SER A 118 -0.968 9.163 -11.989 1.00 0.00 N ATOM 1816 CA SER A 118 -1.622 9.482 -13.246 1.00 0.00 C ATOM 1817 C SER A 118 -2.493 10.730 -13.081 1.00 0.00 C ATOM 1818 O SER A 118 -2.692 11.209 -11.965 1.00 0.00 O ATOM 1819 CB SER A 118 -2.468 8.307 -13.742 1.00 0.00 C ATOM 1820 OG SER A 118 -2.072 7.875 -15.041 1.00 0.00 O ATOM 0 H SER A 118 -1.533 9.339 -11.158 1.00 0.00 H new ATOM 0 HA SER A 118 -0.851 9.680 -13.991 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.381 7.476 -13.042 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.518 8.599 -13.761 1.00 0.00 H new ATOM 0 HG SER A 118 -2.634 7.123 -15.321 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.987 11.221 -14.208 1.00 0.00 N ATOM 1827 CA LYS A 119 -3.831 12.404 -14.202 1.00 0.00 C ATOM 1828 C LYS A 119 -5.008 12.180 -13.250 1.00 0.00 C ATOM 1829 O LYS A 119 -5.044 11.188 -12.523 1.00 0.00 O ATOM 1830 CB LYS A 119 -4.254 12.768 -15.627 1.00 0.00 C ATOM 1831 CG LYS A 119 -3.051 13.224 -16.455 1.00 0.00 C ATOM 1832 CD LYS A 119 -3.488 14.149 -17.593 1.00 0.00 C ATOM 1833 CE LYS A 119 -4.001 13.344 -18.788 1.00 0.00 C ATOM 1834 NZ LYS A 119 -4.878 14.180 -19.638 1.00 0.00 N ATOM 0 H LYS A 119 -2.819 10.821 -15.131 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.277 13.265 -13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.722 11.906 -16.103 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.001 13.561 -15.597 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.339 13.742 -15.813 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.537 12.355 -16.865 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.270 14.821 -17.240 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.649 14.772 -17.903 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.159 12.976 -19.375 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.550 12.471 -18.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.218 13.618 -20.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.691 14.510 -19.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.343 15.000 -19.988 1.00 0.00 H new ATOM 1848 N ASN A 120 -5.943 13.119 -13.285 1.00 0.00 N ATOM 1849 CA ASN A 120 -7.118 13.037 -12.434 1.00 0.00 C ATOM 1850 C ASN A 120 -7.604 11.587 -12.382 1.00 0.00 C ATOM 1851 O ASN A 120 -7.412 10.829 -13.332 1.00 0.00 O ATOM 1852 CB ASN A 120 -8.257 13.898 -12.984 1.00 0.00 C ATOM 1853 CG ASN A 120 -7.851 15.372 -13.040 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -6.979 15.831 -12.321 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -8.532 16.086 -13.932 1.00 0.00 N ATOM 0 H ASN A 120 -5.910 13.940 -13.889 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.842 13.395 -11.442 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -8.529 13.554 -13.982 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -9.140 13.784 -12.356 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.336 17.081 -14.046 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.250 15.639 -14.502 1.00 0.00 H new ATOM 1862 N PHE A 121 -8.225 11.244 -11.263 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.740 9.899 -11.074 1.00 0.00 C ATOM 1864 C PHE A 121 -10.177 9.785 -11.588 1.00 0.00 C ATOM 1865 O PHE A 121 -11.003 10.659 -11.330 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.725 9.621 -9.570 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.415 8.315 -9.171 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.968 7.130 -9.669 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.475 8.338 -8.320 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -9.608 5.918 -9.299 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -11.115 7.125 -7.950 1.00 0.00 C ATOM 1872 CZ PHE A 121 -10.668 5.941 -8.447 1.00 0.00 C ATOM 0 H PHE A 121 -8.383 11.875 -10.477 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.128 9.185 -11.625 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.691 9.593 -9.227 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.210 10.449 -9.053 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.126 7.112 -10.346 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.830 9.278 -7.925 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -9.253 4.978 -9.694 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.957 7.143 -7.274 1.00 0.00 H new ATOM 0 HZ PHE A 121 -11.155 5.019 -8.165 1.00 0.00 H new ATOM 1882 N THR A 122 -10.431 8.700 -12.305 1.00 0.00 N ATOM 1883 CA THR A 122 -11.754 8.461 -12.856 1.00 0.00 C ATOM 1884 C THR A 122 -12.521 7.461 -11.989 1.00 0.00 C ATOM 1885 O THR A 122 -12.189 6.277 -11.959 1.00 0.00 O ATOM 1886 CB THR A 122 -11.585 8.003 -14.306 1.00 0.00 C ATOM 1887 OG1 THR A 122 -11.056 9.146 -14.972 1.00 0.00 O ATOM 1888 CG2 THR A 122 -12.925 7.754 -15.001 1.00 0.00 C ATOM 0 H THR A 122 -9.743 7.977 -12.517 1.00 0.00 H new ATOM 0 HA THR A 122 -12.354 9.371 -12.854 1.00 0.00 H new ATOM 0 HB THR A 122 -10.988 7.091 -14.331 1.00 0.00 H new ATOM 0 HG1 THR A 122 -10.914 8.936 -15.919 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.748 7.431 -16.027 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.474 6.979 -14.466 1.00 0.00 H new ATOM 0 HG23 THR A 122 -13.509 8.674 -15.006 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.532 7.975 -11.303 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.348 7.142 -10.437 1.00 0.00 C ATOM 1898 C LYS A 123 -15.152 6.159 -11.292 1.00 0.00 C ATOM 1899 O LYS A 123 -16.229 6.494 -11.782 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.213 8.009 -9.520 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.336 7.383 -8.129 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.255 6.159 -8.158 1.00 0.00 C ATOM 1903 CE LYS A 123 -16.833 5.876 -6.771 1.00 0.00 C ATOM 1904 NZ LYS A 123 -17.153 4.438 -6.627 1.00 0.00 N ATOM 0 H LYS A 123 -13.804 8.958 -11.330 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.718 6.548 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.777 9.005 -9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.204 8.130 -9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.349 7.093 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -15.728 8.120 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -17.066 6.325 -8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -15.698 5.290 -8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -16.118 6.174 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.732 6.472 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -17.034 4.154 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -18.137 4.270 -6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -16.513 3.878 -7.226 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.597 4.966 -11.444 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.248 3.932 -12.230 1.00 0.00 C ATOM 1920 C TYR A 124 -16.161 3.071 -11.356 1.00 0.00 C ATOM 1921 O TYR A 124 -16.099 3.142 -10.129 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.125 3.058 -12.790 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.592 3.522 -14.147 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.472 3.857 -15.156 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.232 3.606 -14.362 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -13.971 4.294 -16.434 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.730 4.043 -15.639 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.624 4.366 -16.612 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.151 4.778 -17.818 1.00 0.00 O ATOM 0 H TYR A 124 -13.703 4.692 -11.036 1.00 0.00 H new ATOM 0 HA TYR A 124 -15.862 4.376 -13.013 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.302 3.040 -12.075 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.488 2.035 -12.885 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.537 3.792 -14.987 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.543 3.344 -13.572 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.649 4.558 -17.232 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.668 4.113 -15.820 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.171 4.782 -17.801 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.010 2.256 -12.038 1.00 0.00 N ATOM 1940 CA PRO A 125 -17.935 1.382 -11.336 1.00 0.00 C ATOM 1941 C PRO A 125 -17.204 0.178 -10.738 1.00 0.00 C ATOM 1942 O PRO A 125 -16.533 -0.563 -11.454 1.00 0.00 O ATOM 1943 CB PRO A 125 -18.972 0.992 -12.376 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.338 1.281 -13.727 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.111 2.146 -13.490 1.00 0.00 C ATOM 0 HA PRO A 125 -18.409 1.868 -10.483 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.237 -0.061 -12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.890 1.564 -12.245 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.060 0.352 -14.225 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.046 1.793 -14.379 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.217 1.690 -13.916 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.221 3.126 -13.955 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.360 0.021 -9.432 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.724 -1.081 -8.730 1.00 0.00 C ATOM 1955 C LYS A 126 -15.316 -0.662 -8.303 1.00 0.00 C ATOM 1956 O LYS A 126 -14.861 -1.017 -7.217 1.00 0.00 O ATOM 1957 CB LYS A 126 -16.756 -2.350 -9.583 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.123 -2.529 -10.248 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.446 -4.012 -10.446 1.00 0.00 C ATOM 1960 CE LYS A 126 -19.943 -4.275 -10.270 1.00 0.00 C ATOM 1961 NZ LYS A 126 -20.174 -5.237 -9.169 1.00 0.00 N ATOM 0 H LYS A 126 -17.917 0.638 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.275 -1.323 -7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -15.980 -2.299 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.534 -3.217 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -18.894 -2.064 -9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.132 -2.019 -11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.132 -4.326 -11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.881 -4.610 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -20.460 -3.339 -10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -20.361 -4.667 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -21.195 -5.404 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -19.697 -6.135 -9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.793 -4.848 -8.283 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.664 0.086 -9.181 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.316 0.557 -8.909 1.00 0.00 C ATOM 1977 C LYS A 127 -13.306 1.324 -7.585 1.00 0.00 C ATOM 1978 O LYS A 127 -14.117 2.226 -7.380 1.00 0.00 O ATOM 1979 CB LYS A 127 -12.782 1.366 -10.093 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.700 0.503 -11.354 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.399 -0.301 -11.385 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.053 -0.730 -12.812 1.00 0.00 C ATOM 1983 NZ LYS A 127 -9.900 -1.657 -12.809 1.00 0.00 N ATOM 0 H LYS A 127 -15.044 0.378 -10.081 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.634 -0.285 -8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.431 2.222 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.795 1.760 -9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.552 -0.176 -11.390 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.760 1.138 -12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.587 0.299 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -11.496 -1.182 -10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.915 -1.214 -13.272 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.820 0.147 -13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.273 -1.434 -13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.374 -1.554 -11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.241 -2.635 -12.899 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.379 0.938 -6.721 1.00 0.00 N ATOM 1998 CA PHE A 128 -12.252 1.578 -5.423 1.00 0.00 C ATOM 1999 C PHE A 128 -11.681 2.990 -5.562 1.00 0.00 C ATOM 2000 O PHE A 128 -10.893 3.259 -6.467 1.00 0.00 O ATOM 2001 CB PHE A 128 -11.285 0.728 -4.598 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.846 -0.636 -4.190 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -12.635 -0.744 -3.087 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -11.556 -1.740 -4.930 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -13.157 -2.009 -2.709 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.078 -3.005 -4.551 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.867 -3.113 -3.449 1.00 0.00 C ATOM 0 H PHE A 128 -11.708 0.189 -6.895 1.00 0.00 H new ATOM 0 HA PHE A 128 -13.230 1.656 -4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.371 0.576 -5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -11.009 1.279 -3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -12.864 0.132 -2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -10.929 -1.654 -5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -13.784 -2.095 -1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -11.848 -3.882 -5.138 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.264 -4.075 -3.161 1.00 0.00 H new ATOM 2017 N TYR A 129 -12.101 3.856 -4.650 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.641 5.234 -4.660 1.00 0.00 C ATOM 2019 C TYR A 129 -10.918 5.580 -3.356 1.00 0.00 C ATOM 2020 O TYR A 129 -11.031 4.855 -2.369 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.899 6.098 -4.776 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.985 5.756 -3.754 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.904 6.253 -2.469 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -15.045 4.951 -4.117 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.926 5.932 -1.507 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -16.068 4.630 -3.155 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.958 5.136 -1.898 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.923 4.833 -0.989 1.00 0.00 O ATOM 0 H TYR A 129 -12.754 3.630 -3.900 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.943 5.400 -5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.620 7.145 -4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -13.311 5.989 -5.779 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -13.074 6.883 -2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -15.108 4.562 -5.122 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.875 6.314 -0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.903 4.002 -3.426 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.597 4.258 -1.407 1.00 0.00 H new ATOM 2038 N PRO A 130 -10.173 6.717 -3.396 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.432 7.167 -2.230 1.00 0.00 C ATOM 2040 C PRO A 130 -10.370 7.778 -1.187 1.00 0.00 C ATOM 2041 O PRO A 130 -11.083 8.738 -1.474 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.416 8.161 -2.769 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.928 8.579 -4.138 1.00 0.00 C ATOM 2044 CD PRO A 130 -10.016 7.600 -4.548 1.00 0.00 C ATOM 0 HA PRO A 130 -8.933 6.351 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.323 9.022 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.428 7.708 -2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -9.322 9.595 -4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -8.117 8.575 -4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.947 8.117 -4.780 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.731 7.041 -5.439 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.340 7.195 0.003 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.179 7.669 1.090 1.00 0.00 C ATOM 2054 C LEU A 131 -10.610 8.982 1.632 1.00 0.00 C ATOM 2055 O LEU A 131 -11.205 10.043 1.449 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.340 6.583 2.156 1.00 0.00 C ATOM 2057 CG LEU A 131 -11.859 5.231 1.662 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -11.998 4.241 2.820 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.169 5.396 0.889 1.00 0.00 C ATOM 0 H LEU A 131 -9.748 6.399 0.238 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.185 7.881 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.374 6.426 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.020 6.953 2.923 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.126 4.816 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.369 3.288 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.026 4.092 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.699 4.637 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.516 4.420 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -13.921 5.843 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.004 6.043 0.027 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.464 8.867 2.288 1.00 0.00 N ATOM 2072 CA GLU A 132 -8.808 10.032 2.858 1.00 0.00 C ATOM 2073 C GLU A 132 -8.288 10.945 1.745 1.00 0.00 C ATOM 2074 O GLU A 132 -7.343 10.594 1.041 1.00 0.00 O ATOM 2075 CB GLU A 132 -7.677 9.618 3.801 1.00 0.00 C ATOM 2076 CG GLU A 132 -7.547 10.600 4.966 1.00 0.00 C ATOM 2077 CD GLU A 132 -7.031 9.895 6.223 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -5.792 9.842 6.374 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -7.888 9.426 7.003 1.00 0.00 O ATOM 0 H GLU A 132 -8.973 7.985 2.437 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.540 10.587 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.868 8.616 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.737 9.575 3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -6.867 11.407 4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.516 11.056 5.172 1.00 0.00 H new