USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 979 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -18:sc= 0.522 USER MOD Single : A 23 THR OG1 : rot 36:sc= 0.383 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.64 USER MOD Single : A 28 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.23) USER MOD Single : A 35 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.7!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00469 USER MOD Single : A 61 SER OG : rot -47:sc= 0.0599 USER MOD Single : A 63 GLN : amide:sc= -0.707 K(o=-0.71,f=-1.7!) USER MOD Single : A 65 GLN : amide:sc= -3.31! C(o=-3.3!,f=-8!) USER MOD Single : A 67 LYS NZ :NH3+ -147:sc= -0.337 (180deg=-2!) USER MOD Single : A 71 GLN : amide:sc= -0.715 K(o=-0.71,f=-2.9) USER MOD Single : A 74 GLN : amide:sc= -3.43! K(o=-3.4!,f=-0.85) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -1.6! C(o=-1.6!,f=-3.8!) USER MOD Single : A 93 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HE2:sc= -3.25! K(o=-3.2!,f=-2) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.0088) USER MOD Single : A 105 TYR OH : rot 130:sc= -0.466 USER MOD Single : A 116 THR OG1 : rot 7:sc= 0.565 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 127 GLN : amide:sc= -0.233 K(o=-0.23,f=-0.74) USER MOD Single : A 131 HIS : no HE2:sc= -0.268 K(o=-0.27,f=-1.6) USER MOD Single : A 132 THR OG1 : rot -7:sc= 1.01 USER MOD Single : A 136 SER OG : rot 180:sc= -0.754 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 MET CE :methyl -148:sc= -1.36 (180deg=-2.15!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 155:sc= -0.0667 (180deg=-0.431) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 2.130 -19.896 -0.762 1.00 0.00 N ATOM 208 CA PRO A 16 1.717 -18.719 0.009 1.00 0.00 C ATOM 209 C PRO A 16 2.751 -18.322 1.059 1.00 0.00 C ATOM 210 O PRO A 16 2.979 -17.137 1.301 1.00 0.00 O ATOM 211 CB PRO A 16 0.420 -19.174 0.682 1.00 0.00 C ATOM 212 CG PRO A 16 0.536 -20.656 0.766 1.00 0.00 C ATOM 213 CD PRO A 16 1.313 -21.081 -0.449 1.00 0.00 C ATOM 0 HA PRO A 16 1.600 -17.838 -0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.310 -18.729 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.453 -18.878 0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.047 -20.956 1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.448 -21.124 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.933 -21.954 -0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.654 -21.345 -1.276 1.00 0.00 H new ATOM 221 N ARG A 17 3.374 -19.320 1.677 1.00 0.00 N ATOM 222 CA ARG A 17 4.382 -19.074 2.700 1.00 0.00 C ATOM 223 C ARG A 17 5.236 -17.862 2.341 1.00 0.00 C ATOM 224 O ARG A 17 5.335 -16.910 3.114 1.00 0.00 O ATOM 225 CB ARG A 17 5.273 -20.306 2.874 1.00 0.00 C ATOM 226 CG ARG A 17 4.499 -21.581 3.167 1.00 0.00 C ATOM 227 CD ARG A 17 5.395 -22.649 3.775 1.00 0.00 C ATOM 228 NE ARG A 17 4.632 -23.635 4.535 1.00 0.00 N ATOM 229 CZ ARG A 17 5.186 -24.503 5.375 1.00 0.00 C ATOM 230 NH1 ARG A 17 6.498 -24.508 5.559 1.00 0.00 N ATOM 231 NH2 ARG A 17 4.425 -25.369 6.031 1.00 0.00 N ATOM 0 H ARG A 17 3.198 -20.307 1.487 1.00 0.00 H new ATOM 0 HA ARG A 17 3.868 -18.869 3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.862 -20.449 1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.977 -20.123 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.678 -21.361 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.055 -21.958 2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.949 -23.152 2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.130 -22.177 4.428 1.00 0.00 H new ATOM 0 HE ARG A 17 3.619 -23.659 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.086 -23.844 5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.920 -25.176 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.415 -25.369 5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.850 -26.035 6.676 1.00 0.00 H new ATOM 245 N GLU A 18 5.851 -17.906 1.163 1.00 0.00 N ATOM 246 CA GLU A 18 6.698 -16.811 0.703 1.00 0.00 C ATOM 247 C GLU A 18 5.891 -15.800 -0.106 1.00 0.00 C ATOM 248 O GLU A 18 5.612 -16.015 -1.285 1.00 0.00 O ATOM 249 CB GLU A 18 7.854 -17.351 -0.142 1.00 0.00 C ATOM 250 CG GLU A 18 8.875 -18.142 0.657 1.00 0.00 C ATOM 251 CD GLU A 18 9.789 -17.252 1.479 1.00 0.00 C ATOM 252 OE1 GLU A 18 10.309 -16.262 0.922 1.00 0.00 O ATOM 253 OE2 GLU A 18 9.982 -17.545 2.677 1.00 0.00 O ATOM 0 H GLU A 18 5.779 -18.687 0.511 1.00 0.00 H new ATOM 0 HA GLU A 18 7.103 -16.307 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.451 -17.987 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.356 -16.516 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.355 -18.834 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.476 -18.744 -0.024 1.00 0.00 H new ATOM 260 N GLU A 19 5.516 -14.699 0.538 1.00 0.00 N ATOM 261 CA GLU A 19 4.739 -13.656 -0.121 1.00 0.00 C ATOM 262 C GLU A 19 5.216 -12.270 0.304 1.00 0.00 C ATOM 263 O GLU A 19 5.071 -11.881 1.462 1.00 0.00 O ATOM 264 CB GLU A 19 3.252 -13.817 0.202 1.00 0.00 C ATOM 265 CG GLU A 19 2.513 -14.725 -0.765 1.00 0.00 C ATOM 266 CD GLU A 19 1.009 -14.535 -0.712 1.00 0.00 C ATOM 267 OE1 GLU A 19 0.495 -13.671 -1.452 1.00 0.00 O ATOM 268 OE2 GLU A 19 0.348 -15.250 0.070 1.00 0.00 O ATOM 0 H GLU A 19 5.738 -14.507 1.515 1.00 0.00 H new ATOM 0 HA GLU A 19 4.883 -13.756 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.149 -14.215 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.780 -12.835 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.864 -14.532 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.752 -15.764 -0.537 1.00 0.00 H new ATOM 275 N SER A 20 5.788 -11.532 -0.643 1.00 0.00 N ATOM 276 CA SER A 20 6.292 -10.192 -0.367 1.00 0.00 C ATOM 277 C SER A 20 5.561 -9.153 -1.211 1.00 0.00 C ATOM 278 O SER A 20 5.234 -9.398 -2.373 1.00 0.00 O ATOM 279 CB SER A 20 7.795 -10.122 -0.641 1.00 0.00 C ATOM 280 OG SER A 20 8.114 -10.721 -1.885 1.00 0.00 O ATOM 0 H SER A 20 5.914 -11.840 -1.607 1.00 0.00 H new ATOM 0 HA SER A 20 6.112 -9.973 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.120 -9.082 -0.641 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.338 -10.626 0.159 1.00 0.00 H new ATOM 0 HG SER A 20 9.080 -10.662 -2.038 1.00 0.00 H new ATOM 286 N SER A 21 5.306 -7.990 -0.619 1.00 0.00 N ATOM 287 CA SER A 21 4.611 -6.913 -1.313 1.00 0.00 C ATOM 288 C SER A 21 4.923 -5.564 -0.676 1.00 0.00 C ATOM 289 O SER A 21 5.297 -5.490 0.495 1.00 0.00 O ATOM 290 CB SER A 21 3.101 -7.161 -1.298 1.00 0.00 C ATOM 291 OG SER A 21 2.788 -8.434 -1.833 1.00 0.00 O ATOM 0 H SER A 21 5.571 -7.770 0.341 1.00 0.00 H new ATOM 0 HA SER A 21 4.960 -6.895 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.728 -7.091 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.596 -6.386 -1.875 1.00 0.00 H new ATOM 0 HG SER A 21 3.546 -8.763 -2.360 1.00 0.00 H new ATOM 297 N ALA A 22 4.767 -4.498 -1.454 1.00 0.00 N ATOM 298 CA ALA A 22 5.030 -3.151 -0.965 1.00 0.00 C ATOM 299 C ALA A 22 3.815 -2.250 -1.155 1.00 0.00 C ATOM 300 O ALA A 22 3.374 -2.011 -2.280 1.00 0.00 O ATOM 301 CB ALA A 22 6.242 -2.560 -1.673 1.00 0.00 C ATOM 0 H ALA A 22 4.460 -4.542 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 22 5.240 -3.214 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.427 -1.553 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.115 -3.184 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.052 -2.519 -2.746 1.00 0.00 H new ATOM 307 N THR A 23 3.273 -1.753 -0.047 1.00 0.00 N ATOM 308 CA THR A 23 2.106 -0.882 -0.091 1.00 0.00 C ATOM 309 C THR A 23 2.467 0.542 0.318 1.00 0.00 C ATOM 310 O THR A 23 3.392 0.756 1.103 1.00 0.00 O ATOM 311 CB THR A 23 0.983 -1.399 0.829 1.00 0.00 C ATOM 312 OG1 THR A 23 -0.214 -0.644 0.612 1.00 0.00 O ATOM 313 CG2 THR A 23 1.393 -1.300 2.290 1.00 0.00 C ATOM 0 H THR A 23 3.625 -1.939 0.892 1.00 0.00 H new ATOM 0 HA THR A 23 1.750 -0.883 -1.121 1.00 0.00 H new ATOM 0 HB THR A 23 0.800 -2.446 0.589 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.288 -0.415 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.585 -1.670 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.288 -1.899 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.600 -0.260 2.540 1.00 0.00 H new ATOM 321 N CYS A 24 1.733 1.510 -0.216 1.00 0.00 N ATOM 322 CA CYS A 24 1.977 2.916 0.094 1.00 0.00 C ATOM 323 C CYS A 24 0.701 3.594 0.580 1.00 0.00 C ATOM 324 O CYS A 24 -0.405 3.115 0.326 1.00 0.00 O ATOM 325 CB CYS A 24 2.520 3.644 -1.136 1.00 0.00 C ATOM 326 SG CYS A 24 3.329 5.217 -0.764 1.00 0.00 S ATOM 0 H CYS A 24 0.964 1.349 -0.866 1.00 0.00 H new ATOM 0 HA CYS A 24 2.718 2.964 0.891 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.231 2.994 -1.646 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.699 3.825 -1.830 1.00 0.00 H new ATOM 0 HG CYS A 24 3.757 5.756 -1.867 1.00 0.00 H new ATOM 332 N VAL A 25 0.861 4.711 1.282 1.00 0.00 N ATOM 333 CA VAL A 25 -0.278 5.456 1.805 1.00 0.00 C ATOM 334 C VAL A 25 -0.401 6.818 1.130 1.00 0.00 C ATOM 335 O VAL A 25 0.184 7.802 1.583 1.00 0.00 O ATOM 336 CB VAL A 25 -0.164 5.658 3.328 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.286 6.555 3.832 1.00 0.00 C ATOM 338 CG2 VAL A 25 -0.180 4.318 4.046 1.00 0.00 C ATOM 0 H VAL A 25 1.769 5.120 1.502 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.169 4.866 1.590 1.00 0.00 H new ATOM 0 HB VAL A 25 0.786 6.147 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.190 6.687 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.224 7.526 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.248 6.095 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.099 4.480 5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.113 3.799 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.660 3.713 3.706 1.00 0.00 H new ATOM 348 N LEU A 26 -1.166 6.867 0.045 1.00 0.00 N ATOM 349 CA LEU A 26 -1.367 8.109 -0.693 1.00 0.00 C ATOM 350 C LEU A 26 -2.384 9.002 0.010 1.00 0.00 C ATOM 351 O LEU A 26 -3.547 8.633 0.165 1.00 0.00 O ATOM 352 CB LEU A 26 -1.836 7.808 -2.118 1.00 0.00 C ATOM 353 CG LEU A 26 -2.363 8.999 -2.918 1.00 0.00 C ATOM 354 CD1 LEU A 26 -1.270 10.039 -3.109 1.00 0.00 C ATOM 355 CD2 LEU A 26 -2.908 8.541 -4.262 1.00 0.00 C ATOM 0 H LEU A 26 -1.657 6.062 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.414 8.637 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.004 7.367 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.621 7.053 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.177 9.457 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.663 10.880 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.928 10.391 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.434 9.593 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.279 9.403 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.114 8.057 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.723 7.834 -4.103 1.00 0.00 H new ATOM 367 N GLU A 27 -1.936 10.180 0.433 1.00 0.00 N ATOM 368 CA GLU A 27 -2.807 11.127 1.119 1.00 0.00 C ATOM 369 C GLU A 27 -2.666 12.525 0.524 1.00 0.00 C ATOM 370 O GLU A 27 -1.583 12.921 0.094 1.00 0.00 O ATOM 371 CB GLU A 27 -2.483 11.161 2.614 1.00 0.00 C ATOM 372 CG GLU A 27 -3.206 12.264 3.368 1.00 0.00 C ATOM 373 CD GLU A 27 -2.446 12.726 4.597 1.00 0.00 C ATOM 374 OE1 GLU A 27 -1.246 13.046 4.466 1.00 0.00 O ATOM 375 OE2 GLU A 27 -3.051 12.765 5.689 1.00 0.00 O ATOM 0 H GLU A 27 -0.975 10.501 0.313 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.837 10.797 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.744 10.199 3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.408 11.289 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.362 13.112 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.192 11.908 3.667 1.00 0.00 H new ATOM 382 N GLN A 28 -3.768 13.267 0.504 1.00 0.00 N ATOM 383 CA GLN A 28 -3.769 14.620 -0.038 1.00 0.00 C ATOM 384 C GLN A 28 -4.533 15.573 0.874 1.00 0.00 C ATOM 385 O GLN A 28 -5.480 15.188 1.561 1.00 0.00 O ATOM 386 CB GLN A 28 -4.384 14.632 -1.438 1.00 0.00 C ATOM 387 CG GLN A 28 -5.896 14.465 -1.439 1.00 0.00 C ATOM 388 CD GLN A 28 -6.560 15.162 -2.610 1.00 0.00 C ATOM 389 OE1 GLN A 28 -7.453 15.990 -2.429 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.124 14.832 -3.820 1.00 0.00 N ATOM 0 H GLN A 28 -4.672 12.954 0.857 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.735 14.958 -0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.130 15.571 -1.930 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.938 13.832 -2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.140 13.403 -1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.302 14.861 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.381 14.140 -3.923 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.532 15.270 -4.646 1.00 0.00 H new ATOM 399 N PRO A 29 -4.116 16.847 0.884 1.00 0.00 N ATOM 400 CA PRO A 29 -4.749 17.882 1.708 1.00 0.00 C ATOM 401 C PRO A 29 -6.146 18.241 1.217 1.00 0.00 C ATOM 402 O PRO A 29 -6.324 18.656 0.072 1.00 0.00 O ATOM 403 CB PRO A 29 -3.805 19.078 1.561 1.00 0.00 C ATOM 404 CG PRO A 29 -3.125 18.866 0.253 1.00 0.00 C ATOM 405 CD PRO A 29 -2.994 17.377 0.091 1.00 0.00 C ATOM 0 HA PRO A 29 -4.887 17.555 2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.354 20.019 1.574 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.086 19.117 2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.705 19.298 -0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.147 19.348 0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.065 17.079 -0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.035 17.015 0.461 1.00 0.00 H new ATOM 413 N GLY A 30 -7.136 18.079 2.089 1.00 0.00 N ATOM 414 CA GLY A 30 -8.505 18.391 1.724 1.00 0.00 C ATOM 415 C GLY A 30 -9.103 19.480 2.593 1.00 0.00 C ATOM 416 O GLY A 30 -8.545 19.830 3.632 1.00 0.00 O ATOM 0 H GLY A 30 -7.014 17.737 3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.537 18.704 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.114 17.490 1.805 1.00 0.00 H new ATOM 420 N ALA A 31 -10.241 20.016 2.167 1.00 0.00 N ATOM 421 CA ALA A 31 -10.917 21.070 2.914 1.00 0.00 C ATOM 422 C ALA A 31 -11.020 20.715 4.393 1.00 0.00 C ATOM 423 O ALA A 31 -10.574 21.472 5.257 1.00 0.00 O ATOM 424 CB ALA A 31 -12.299 21.328 2.333 1.00 0.00 C ATOM 0 H ALA A 31 -10.715 19.738 1.308 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.324 21.980 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.791 22.117 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.204 21.636 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.893 20.416 2.389 1.00 0.00 H new ATOM 430 N LEU A 32 -11.612 19.561 4.680 1.00 0.00 N ATOM 431 CA LEU A 32 -11.775 19.104 6.055 1.00 0.00 C ATOM 432 C LEU A 32 -10.420 18.936 6.737 1.00 0.00 C ATOM 433 O LEU A 32 -10.241 19.328 7.890 1.00 0.00 O ATOM 434 CB LEU A 32 -12.542 17.782 6.088 1.00 0.00 C ATOM 435 CG LEU A 32 -13.953 17.811 5.499 1.00 0.00 C ATOM 436 CD1 LEU A 32 -14.514 16.401 5.390 1.00 0.00 C ATOM 437 CD2 LEU A 32 -14.866 18.687 6.343 1.00 0.00 C ATOM 0 H LEU A 32 -11.988 18.924 3.977 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.344 19.860 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.960 17.034 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.609 17.449 7.124 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.900 18.238 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.519 16.441 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.873 15.803 4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.553 15.947 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.866 18.696 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.915 18.291 7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.473 19.703 6.369 1.00 0.00 H new ATOM 449 N GLY A 33 -9.468 18.352 6.016 1.00 0.00 N ATOM 450 CA GLY A 33 -8.142 18.144 6.567 1.00 0.00 C ATOM 451 C GLY A 33 -7.252 17.331 5.647 1.00 0.00 C ATOM 452 O GLY A 33 -6.291 17.852 5.083 1.00 0.00 O ATOM 0 H GLY A 33 -9.592 18.019 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.676 19.111 6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.227 17.636 7.528 1.00 0.00 H new ATOM 456 N ALA A 34 -7.573 16.050 5.496 1.00 0.00 N ATOM 457 CA ALA A 34 -6.797 15.165 4.638 1.00 0.00 C ATOM 458 C ALA A 34 -7.562 13.881 4.338 1.00 0.00 C ATOM 459 O ALA A 34 -8.460 13.495 5.086 1.00 0.00 O ATOM 460 CB ALA A 34 -5.458 14.843 5.286 1.00 0.00 C ATOM 0 H ALA A 34 -8.365 15.603 5.957 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.618 15.680 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.888 14.181 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.899 15.765 5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.626 14.352 6.244 1.00 0.00 H new ATOM 466 N GLN A 35 -7.202 13.226 3.239 1.00 0.00 N ATOM 467 CA GLN A 35 -7.858 11.986 2.840 1.00 0.00 C ATOM 468 C GLN A 35 -6.863 11.028 2.193 1.00 0.00 C ATOM 469 O GLN A 35 -5.934 11.453 1.505 1.00 0.00 O ATOM 470 CB GLN A 35 -9.004 12.279 1.871 1.00 0.00 C ATOM 471 CG GLN A 35 -10.339 12.513 2.562 1.00 0.00 C ATOM 472 CD GLN A 35 -10.593 13.978 2.858 1.00 0.00 C ATOM 473 OE1 GLN A 35 -10.963 14.341 3.976 1.00 0.00 O ATOM 474 NE2 GLN A 35 -10.396 14.828 1.859 1.00 0.00 N ATOM 0 H GLN A 35 -6.460 13.533 2.609 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.261 11.513 3.736 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.752 13.158 1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.105 11.445 1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.142 12.129 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.366 11.948 3.494 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.089 14.484 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.551 15.826 2.001 1.00 0.00 H new ATOM 483 N ILE A 36 -7.063 9.734 2.417 1.00 0.00 N ATOM 484 CA ILE A 36 -6.184 8.716 1.855 1.00 0.00 C ATOM 485 C ILE A 36 -6.901 7.900 0.786 1.00 0.00 C ATOM 486 O ILE A 36 -8.092 8.092 0.537 1.00 0.00 O ATOM 487 CB ILE A 36 -5.658 7.763 2.945 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.781 7.395 3.917 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.494 8.400 3.690 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.460 6.199 4.786 1.00 0.00 C ATOM 0 H ILE A 36 -7.826 9.365 2.984 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.342 9.240 1.404 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.302 6.850 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.993 8.252 4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.689 7.189 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.134 7.714 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.688 8.616 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.825 9.327 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.300 5.996 5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.277 5.329 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.571 6.409 5.380 1.00 0.00 H new ATOM 502 N LEU A 37 -6.169 6.988 0.155 1.00 0.00 N ATOM 503 CA LEU A 37 -6.735 6.141 -0.889 1.00 0.00 C ATOM 504 C LEU A 37 -6.830 4.692 -0.420 1.00 0.00 C ATOM 505 O LEU A 37 -5.949 4.195 0.282 1.00 0.00 O ATOM 506 CB LEU A 37 -5.885 6.223 -2.157 1.00 0.00 C ATOM 507 CG LEU A 37 -6.221 5.216 -3.257 1.00 0.00 C ATOM 508 CD1 LEU A 37 -7.582 5.519 -3.862 1.00 0.00 C ATOM 509 CD2 LEU A 37 -5.143 5.221 -4.332 1.00 0.00 C ATOM 0 H LEU A 37 -5.182 6.816 0.348 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.740 6.500 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.981 7.227 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.839 6.091 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.258 4.221 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.803 4.791 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.346 5.462 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.574 6.521 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.399 4.498 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.073 6.216 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.185 4.953 -3.887 1.00 0.00 H new ATOM 521 N LEU A 38 -7.906 4.018 -0.816 1.00 0.00 N ATOM 522 CA LEU A 38 -8.115 2.624 -0.439 1.00 0.00 C ATOM 523 C LEU A 38 -8.692 1.827 -1.603 1.00 0.00 C ATOM 524 O LEU A 38 -9.765 2.145 -2.118 1.00 0.00 O ATOM 525 CB LEU A 38 -9.052 2.538 0.768 1.00 0.00 C ATOM 526 CG LEU A 38 -8.874 1.315 1.669 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.500 1.329 2.320 1.00 0.00 C ATOM 528 CD2 LEU A 38 -9.967 1.269 2.727 1.00 0.00 C ATOM 0 H LEU A 38 -8.645 4.414 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.149 2.195 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.915 3.434 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.080 2.552 0.406 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.954 0.419 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.391 0.452 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.731 1.314 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.392 2.231 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.825 0.392 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.919 2.170 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.941 1.212 2.241 1.00 0.00 H new ATOM 540 N VAL A 39 -7.975 0.786 -2.015 1.00 0.00 N ATOM 541 CA VAL A 39 -8.416 -0.060 -3.117 1.00 0.00 C ATOM 542 C VAL A 39 -8.797 -1.451 -2.624 1.00 0.00 C ATOM 543 O VAL A 39 -8.150 -2.004 -1.735 1.00 0.00 O ATOM 544 CB VAL A 39 -7.326 -0.191 -4.196 1.00 0.00 C ATOM 545 CG1 VAL A 39 -7.053 1.157 -4.847 1.00 0.00 C ATOM 546 CG2 VAL A 39 -6.052 -0.771 -3.599 1.00 0.00 C ATOM 0 H VAL A 39 -7.085 0.508 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.292 0.421 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.683 -0.874 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.280 1.044 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.967 1.529 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.717 1.865 -4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.292 -0.857 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.689 -0.115 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.260 -1.758 -3.185 1.00 0.00 H new ATOM 556 N GLN A 40 -9.853 -2.011 -3.206 1.00 0.00 N ATOM 557 CA GLN A 40 -10.319 -3.339 -2.825 1.00 0.00 C ATOM 558 C GLN A 40 -9.705 -4.411 -3.720 1.00 0.00 C ATOM 559 O GLN A 40 -9.184 -4.111 -4.795 1.00 0.00 O ATOM 560 CB GLN A 40 -11.845 -3.408 -2.901 1.00 0.00 C ATOM 561 CG GLN A 40 -12.384 -3.416 -4.323 1.00 0.00 C ATOM 562 CD GLN A 40 -13.867 -3.107 -4.387 1.00 0.00 C ATOM 563 OE1 GLN A 40 -14.291 -2.186 -5.085 1.00 0.00 O ATOM 564 NE2 GLN A 40 -14.664 -3.877 -3.656 1.00 0.00 N ATOM 0 H GLN A 40 -10.401 -1.566 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.004 -3.525 -1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.186 -4.307 -2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.266 -2.556 -2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.838 -2.684 -4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.201 -4.392 -4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.269 -4.630 -3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.671 -3.716 -3.658 1.00 0.00 H new ATOM 573 N ARG A 41 -9.771 -5.659 -3.270 1.00 0.00 N ATOM 574 CA ARG A 41 -9.220 -6.775 -4.030 1.00 0.00 C ATOM 575 C ARG A 41 -10.328 -7.559 -4.727 1.00 0.00 C ATOM 576 O ARG A 41 -11.376 -7.847 -4.148 1.00 0.00 O ATOM 577 CB ARG A 41 -8.425 -7.703 -3.110 1.00 0.00 C ATOM 578 CG ARG A 41 -6.977 -7.279 -2.920 1.00 0.00 C ATOM 579 CD ARG A 41 -6.092 -8.464 -2.563 1.00 0.00 C ATOM 580 NE ARG A 41 -5.694 -9.225 -3.743 1.00 0.00 N ATOM 581 CZ ARG A 41 -5.330 -10.502 -3.706 1.00 0.00 C ATOM 582 NH1 ARG A 41 -5.314 -11.157 -2.553 1.00 0.00 N ATOM 583 NH2 ARG A 41 -4.980 -11.127 -4.823 1.00 0.00 N ATOM 0 H ARG A 41 -10.200 -5.923 -2.383 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.553 -6.369 -4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.914 -7.742 -2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.448 -8.713 -3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.610 -6.812 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.917 -6.528 -2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.202 -8.108 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.624 -9.118 -1.872 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.695 -8.750 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.582 -10.680 -1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.034 -12.138 -2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.990 -10.627 -5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.701 -12.108 -4.793 1.00 0.00 H new ATOM 698 N LEU A 50 -11.683 -7.369 0.315 1.00 0.00 N ATOM 699 CA LEU A 50 -11.594 -6.389 1.392 1.00 0.00 C ATOM 700 C LEU A 50 -10.855 -5.137 0.931 1.00 0.00 C ATOM 701 O LEU A 50 -10.032 -5.192 0.017 1.00 0.00 O ATOM 702 CB LEU A 50 -10.883 -6.997 2.603 1.00 0.00 C ATOM 703 CG LEU A 50 -11.726 -7.923 3.482 1.00 0.00 C ATOM 704 CD1 LEU A 50 -12.869 -7.153 4.124 1.00 0.00 C ATOM 705 CD2 LEU A 50 -12.259 -9.092 2.667 1.00 0.00 C ATOM 0 HA LEU A 50 -12.607 -6.106 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.017 -7.555 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.506 -6.184 3.224 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.091 -8.319 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.458 -7.827 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.466 -6.350 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.504 -6.729 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.856 -9.740 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.879 -8.716 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.424 -9.659 2.255 1.00 0.00 H new ATOM 717 N TRP A 51 -11.154 -4.012 1.569 1.00 0.00 N ATOM 718 CA TRP A 51 -10.516 -2.746 1.224 1.00 0.00 C ATOM 719 C TRP A 51 -9.139 -2.638 1.867 1.00 0.00 C ATOM 720 O TRP A 51 -8.977 -2.904 3.058 1.00 0.00 O ATOM 721 CB TRP A 51 -11.393 -1.573 1.667 1.00 0.00 C ATOM 722 CG TRP A 51 -12.651 -1.436 0.866 1.00 0.00 C ATOM 723 CD1 TRP A 51 -13.889 -1.910 1.196 1.00 0.00 C ATOM 724 CD2 TRP A 51 -12.795 -0.785 -0.402 1.00 0.00 C ATOM 725 NE1 TRP A 51 -14.793 -1.592 0.211 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.146 -0.902 -0.780 1.00 0.00 C ATOM 727 CE3 TRP A 51 -11.913 -0.114 -1.253 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -14.634 -0.372 -1.972 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -12.398 0.411 -2.435 1.00 0.00 C ATOM 730 CH2 TRP A 51 -13.748 0.281 -2.785 1.00 0.00 C ATOM 0 H TRP A 51 -11.833 -3.950 2.327 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.394 -2.712 0.141 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.652 -1.699 2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.819 -0.650 1.589 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -14.123 -2.455 2.099 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -15.785 -1.831 0.217 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -10.871 -0.008 -0.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -15.674 -0.473 -2.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -11.725 0.931 -3.101 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -14.097 0.705 -3.715 1.00 0.00 H new ATOM 741 N GLU A 52 -8.147 -2.246 1.072 1.00 0.00 N ATOM 742 CA GLU A 52 -6.783 -2.104 1.566 1.00 0.00 C ATOM 743 C GLU A 52 -5.950 -1.242 0.623 1.00 0.00 C ATOM 744 O GLU A 52 -6.215 -1.181 -0.578 1.00 0.00 O ATOM 745 CB GLU A 52 -6.130 -3.479 1.728 1.00 0.00 C ATOM 746 CG GLU A 52 -5.863 -4.185 0.411 1.00 0.00 C ATOM 747 CD GLU A 52 -5.833 -5.695 0.554 1.00 0.00 C ATOM 748 OE1 GLU A 52 -6.623 -6.231 1.359 1.00 0.00 O ATOM 749 OE2 GLU A 52 -5.019 -6.339 -0.140 1.00 0.00 O ATOM 0 H GLU A 52 -8.263 -2.021 0.084 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.825 -1.613 2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.189 -3.364 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.774 -4.107 2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.633 -3.907 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.910 -3.843 0.006 1.00 0.00 H new ATOM 756 N PHE A 53 -4.941 -0.576 1.174 1.00 0.00 N ATOM 757 CA PHE A 53 -4.069 0.285 0.383 1.00 0.00 C ATOM 758 C PHE A 53 -3.423 -0.496 -0.757 1.00 0.00 C ATOM 759 O PHE A 53 -3.154 -1.692 -0.649 1.00 0.00 O ATOM 760 CB PHE A 53 -2.987 0.902 1.270 1.00 0.00 C ATOM 761 CG PHE A 53 -3.517 1.470 2.556 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.652 2.265 2.563 1.00 0.00 C ATOM 763 CD2 PHE A 53 -2.879 1.209 3.758 1.00 0.00 C ATOM 764 CE1 PHE A 53 -5.142 2.787 3.744 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.365 1.729 4.943 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.497 2.520 4.936 1.00 0.00 C ATOM 0 H PHE A 53 -4.707 -0.616 2.166 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.677 1.082 -0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.239 0.143 1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.480 1.692 0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.159 2.479 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.992 0.593 3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.029 3.403 3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.860 1.517 5.874 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.877 2.929 5.860 1.00 0.00 H new ATOM 776 N PRO A 54 -3.170 0.195 -1.879 1.00 0.00 N ATOM 777 CA PRO A 54 -2.554 -0.412 -3.061 1.00 0.00 C ATOM 778 C PRO A 54 -1.089 -0.768 -2.834 1.00 0.00 C ATOM 779 O PRO A 54 -0.352 -0.022 -2.188 1.00 0.00 O ATOM 780 CB PRO A 54 -2.679 0.679 -4.128 1.00 0.00 C ATOM 781 CG PRO A 54 -2.752 1.953 -3.359 1.00 0.00 C ATOM 782 CD PRO A 54 -3.467 1.624 -2.078 1.00 0.00 C ATOM 0 HA PRO A 54 -3.036 -1.351 -3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.823 0.672 -4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.569 0.534 -4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.755 2.346 -3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.289 2.717 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.103 2.229 -1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.539 1.804 -2.158 1.00 0.00 H new ATOM 790 N SER A 55 -0.673 -1.913 -3.367 1.00 0.00 N ATOM 791 CA SER A 55 0.705 -2.368 -3.218 1.00 0.00 C ATOM 792 C SER A 55 1.221 -2.972 -4.521 1.00 0.00 C ATOM 793 O SER A 55 0.443 -3.301 -5.417 1.00 0.00 O ATOM 794 CB SER A 55 0.805 -3.397 -2.091 1.00 0.00 C ATOM 795 OG SER A 55 0.262 -4.644 -2.489 1.00 0.00 O ATOM 0 H SER A 55 -1.269 -2.542 -3.905 1.00 0.00 H new ATOM 0 HA SER A 55 1.322 -1.505 -2.968 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.849 -3.526 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.276 -3.030 -1.212 1.00 0.00 H new ATOM 0 HG SER A 55 0.340 -5.285 -1.752 1.00 0.00 H new ATOM 801 N VAL A 56 2.539 -3.115 -4.619 1.00 0.00 N ATOM 802 CA VAL A 56 3.160 -3.680 -5.811 1.00 0.00 C ATOM 803 C VAL A 56 4.087 -4.836 -5.452 1.00 0.00 C ATOM 804 O VAL A 56 4.243 -5.180 -4.280 1.00 0.00 O ATOM 805 CB VAL A 56 3.961 -2.615 -6.585 1.00 0.00 C ATOM 806 CG1 VAL A 56 3.078 -1.424 -6.923 1.00 0.00 C ATOM 807 CG2 VAL A 56 5.177 -2.177 -5.783 1.00 0.00 C ATOM 0 H VAL A 56 3.197 -2.847 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 56 2.353 -4.048 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 56 4.309 -3.055 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.661 -0.682 -7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.242 -1.754 -7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.698 -0.980 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.731 -1.425 -6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.853 -1.754 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.820 -3.038 -5.597 1.00 0.00 H new ATOM 817 N THR A 57 4.702 -5.432 -6.469 1.00 0.00 N ATOM 818 CA THR A 57 5.613 -6.550 -6.261 1.00 0.00 C ATOM 819 C THR A 57 6.873 -6.103 -5.529 1.00 0.00 C ATOM 820 O THR A 57 7.410 -5.028 -5.798 1.00 0.00 O ATOM 821 CB THR A 57 6.013 -7.204 -7.597 1.00 0.00 C ATOM 822 OG1 THR A 57 6.404 -6.197 -8.537 1.00 0.00 O ATOM 823 CG2 THR A 57 4.861 -8.017 -8.168 1.00 0.00 C ATOM 0 H THR A 57 4.585 -5.159 -7.445 1.00 0.00 H new ATOM 0 HA THR A 57 5.083 -7.282 -5.651 1.00 0.00 H new ATOM 0 HB THR A 57 6.853 -7.874 -7.411 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.659 -6.621 -9.383 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.167 -8.469 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.584 -8.801 -7.463 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.005 -7.364 -8.339 1.00 0.00 H new ATOM 831 N TRP A 58 7.341 -6.935 -4.605 1.00 0.00 N ATOM 832 CA TRP A 58 8.540 -6.624 -3.835 1.00 0.00 C ATOM 833 C TRP A 58 9.694 -6.244 -4.755 1.00 0.00 C ATOM 834 O TRP A 58 9.668 -6.535 -5.950 1.00 0.00 O ATOM 835 CB TRP A 58 8.936 -7.820 -2.965 1.00 0.00 C ATOM 836 CG TRP A 58 10.076 -7.526 -2.038 1.00 0.00 C ATOM 837 CD1 TRP A 58 10.000 -6.941 -0.806 1.00 0.00 C ATOM 838 CD2 TRP A 58 11.461 -7.805 -2.267 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.255 -6.837 -0.256 1.00 0.00 N ATOM 840 CE2 TRP A 58 12.168 -7.361 -1.132 1.00 0.00 C ATOM 841 CE3 TRP A 58 12.173 -8.387 -3.320 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.552 -7.482 -1.024 1.00 0.00 C ATOM 843 CZ3 TRP A 58 13.545 -8.505 -3.212 1.00 0.00 C ATOM 844 CH2 TRP A 58 14.223 -8.055 -2.071 1.00 0.00 C ATOM 0 H TRP A 58 6.909 -7.829 -4.371 1.00 0.00 H new ATOM 0 HA TRP A 58 8.319 -5.773 -3.191 1.00 0.00 H new ATOM 0 HB2 TRP A 58 8.073 -8.136 -2.379 1.00 0.00 H new ATOM 0 HB3 TRP A 58 9.207 -8.656 -3.610 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.087 -6.609 -0.333 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.471 -6.435 0.656 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.659 -8.738 -4.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 14.077 -7.136 -0.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 14.105 -8.952 -4.021 1.00 0.00 H new ATOM 0 HH2 TRP A 58 15.296 -8.162 -2.016 1.00 0.00 H new ATOM 855 N GLU A 59 10.707 -5.594 -4.190 1.00 0.00 N ATOM 856 CA GLU A 59 11.871 -5.174 -4.961 1.00 0.00 C ATOM 857 C GLU A 59 13.113 -5.102 -4.078 1.00 0.00 C ATOM 858 O GLU A 59 13.112 -4.486 -3.012 1.00 0.00 O ATOM 859 CB GLU A 59 11.615 -3.814 -5.613 1.00 0.00 C ATOM 860 CG GLU A 59 10.615 -3.866 -6.756 1.00 0.00 C ATOM 861 CD GLU A 59 11.171 -4.559 -7.986 1.00 0.00 C ATOM 862 OE1 GLU A 59 11.565 -5.739 -7.875 1.00 0.00 O ATOM 863 OE2 GLU A 59 11.210 -3.921 -9.058 1.00 0.00 O ATOM 0 H GLU A 59 10.745 -5.347 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 59 12.044 -5.916 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.252 -3.120 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.559 -3.415 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.717 -4.387 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.316 -2.851 -7.019 1.00 0.00 H new ATOM 870 N PRO A 60 14.199 -5.747 -4.529 1.00 0.00 N ATOM 871 CA PRO A 60 15.468 -5.771 -3.795 1.00 0.00 C ATOM 872 C PRO A 60 16.158 -4.412 -3.787 1.00 0.00 C ATOM 873 O PRO A 60 16.887 -4.081 -2.852 1.00 0.00 O ATOM 874 CB PRO A 60 16.306 -6.792 -4.569 1.00 0.00 C ATOM 875 CG PRO A 60 15.741 -6.778 -5.948 1.00 0.00 C ATOM 876 CD PRO A 60 14.272 -6.503 -5.791 1.00 0.00 C ATOM 0 HA PRO A 60 15.327 -6.024 -2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.361 -6.518 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 60 16.234 -7.783 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.219 -6.011 -6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.908 -7.732 -6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.880 -5.926 -6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.694 -7.426 -5.741 1.00 0.00 H new ATOM 884 N SER A 61 15.922 -3.627 -4.834 1.00 0.00 N ATOM 885 CA SER A 61 16.525 -2.304 -4.949 1.00 0.00 C ATOM 886 C SER A 61 15.592 -1.232 -4.392 1.00 0.00 C ATOM 887 O SER A 61 14.402 -1.207 -4.705 1.00 0.00 O ATOM 888 CB SER A 61 16.859 -1.998 -6.409 1.00 0.00 C ATOM 889 OG SER A 61 17.982 -1.140 -6.507 1.00 0.00 O ATOM 0 H SER A 61 15.318 -3.884 -5.614 1.00 0.00 H new ATOM 0 HA SER A 61 17.445 -2.299 -4.365 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.060 -2.927 -6.942 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.999 -1.533 -6.892 1.00 0.00 H new ATOM 0 HG SER A 61 17.880 -0.394 -5.879 1.00 0.00 H new ATOM 895 N GLU A 62 16.143 -0.348 -3.565 1.00 0.00 N ATOM 896 CA GLU A 62 15.361 0.725 -2.964 1.00 0.00 C ATOM 897 C GLU A 62 14.616 1.519 -4.034 1.00 0.00 C ATOM 898 O GLU A 62 13.482 1.950 -3.824 1.00 0.00 O ATOM 899 CB GLU A 62 16.267 1.658 -2.159 1.00 0.00 C ATOM 900 CG GLU A 62 17.230 2.462 -3.017 1.00 0.00 C ATOM 901 CD GLU A 62 18.373 1.623 -3.553 1.00 0.00 C ATOM 902 OE1 GLU A 62 19.151 1.089 -2.735 1.00 0.00 O ATOM 903 OE2 GLU A 62 18.490 1.501 -4.790 1.00 0.00 O ATOM 0 H GLU A 62 17.127 -0.354 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 62 14.629 0.275 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.647 2.345 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.838 1.067 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.685 2.903 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.634 3.286 -2.429 1.00 0.00 H new ATOM 910 N GLN A 63 15.263 1.709 -5.179 1.00 0.00 N ATOM 911 CA GLN A 63 14.664 2.453 -6.280 1.00 0.00 C ATOM 912 C GLN A 63 13.557 1.642 -6.947 1.00 0.00 C ATOM 913 O GLN A 63 12.382 2.005 -6.882 1.00 0.00 O ATOM 914 CB GLN A 63 15.730 2.827 -7.311 1.00 0.00 C ATOM 915 CG GLN A 63 15.181 3.591 -8.505 1.00 0.00 C ATOM 916 CD GLN A 63 16.263 4.305 -9.291 1.00 0.00 C ATOM 917 OE1 GLN A 63 17.353 4.558 -8.778 1.00 0.00 O ATOM 918 NE2 GLN A 63 15.968 4.634 -10.542 1.00 0.00 N ATOM 0 H GLN A 63 16.202 1.358 -5.368 1.00 0.00 H new ATOM 0 HA GLN A 63 14.227 3.365 -5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.497 3.431 -6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.216 1.918 -7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.656 2.899 -9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.448 4.320 -8.159 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.052 4.405 -10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.658 5.116 -11.119 1.00 0.00 H new ATOM 927 N LEU A 64 13.940 0.543 -7.587 1.00 0.00 N ATOM 928 CA LEU A 64 12.980 -0.320 -8.266 1.00 0.00 C ATOM 929 C LEU A 64 11.672 -0.399 -7.486 1.00 0.00 C ATOM 930 O LEU A 64 10.589 -0.360 -8.068 1.00 0.00 O ATOM 931 CB LEU A 64 13.565 -1.722 -8.447 1.00 0.00 C ATOM 932 CG LEU A 64 14.457 -1.924 -9.673 1.00 0.00 C ATOM 933 CD1 LEU A 64 15.571 -0.889 -9.698 1.00 0.00 C ATOM 934 CD2 LEU A 64 15.034 -3.332 -9.687 1.00 0.00 C ATOM 0 H LEU A 64 14.908 0.228 -7.650 1.00 0.00 H new ATOM 0 HA LEU A 64 12.771 0.110 -9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.143 -1.970 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.741 -2.434 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 64 13.848 -1.794 -10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.196 -1.048 -10.577 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.138 0.111 -9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.179 -0.987 -8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.666 -3.458 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.628 -3.491 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.221 -4.058 -9.718 1.00 0.00 H new ATOM 946 N GLN A 65 11.782 -0.509 -6.166 1.00 0.00 N ATOM 947 CA GLN A 65 10.607 -0.592 -5.306 1.00 0.00 C ATOM 948 C GLN A 65 9.705 0.621 -5.499 1.00 0.00 C ATOM 949 O GLN A 65 8.493 0.485 -5.672 1.00 0.00 O ATOM 950 CB GLN A 65 11.029 -0.702 -3.839 1.00 0.00 C ATOM 951 CG GLN A 65 9.936 -1.243 -2.932 1.00 0.00 C ATOM 952 CD GLN A 65 9.621 -2.701 -3.203 1.00 0.00 C ATOM 953 OE1 GLN A 65 10.118 -3.594 -2.517 1.00 0.00 O ATOM 954 NE2 GLN A 65 8.789 -2.949 -4.208 1.00 0.00 N ATOM 0 H GLN A 65 12.672 -0.543 -5.669 1.00 0.00 H new ATOM 0 HA GLN A 65 10.047 -1.485 -5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.903 -1.350 -3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.332 0.282 -3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.242 -1.129 -1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.032 -0.649 -3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.400 -2.178 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.539 -3.911 -4.437 1.00 0.00 H new ATOM 963 N ARG A 66 10.302 1.808 -5.467 1.00 0.00 N ATOM 964 CA ARG A 66 9.552 3.046 -5.637 1.00 0.00 C ATOM 965 C ARG A 66 9.103 3.216 -7.086 1.00 0.00 C ATOM 966 O ARG A 66 8.047 3.788 -7.357 1.00 0.00 O ATOM 967 CB ARG A 66 10.402 4.245 -5.212 1.00 0.00 C ATOM 968 CG ARG A 66 11.103 4.052 -3.877 1.00 0.00 C ATOM 969 CD ARG A 66 12.339 4.931 -3.765 1.00 0.00 C ATOM 970 NE ARG A 66 12.004 6.353 -3.787 1.00 0.00 N ATOM 971 CZ ARG A 66 12.783 7.299 -3.277 1.00 0.00 C ATOM 972 NH1 ARG A 66 13.937 6.978 -2.709 1.00 0.00 N ATOM 973 NH2 ARG A 66 12.409 8.571 -3.336 1.00 0.00 N ATOM 0 H ARG A 66 11.304 1.938 -5.325 1.00 0.00 H new ATOM 0 HA ARG A 66 8.666 2.994 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.150 4.440 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.766 5.128 -5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.414 4.286 -3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.387 3.006 -3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.867 4.697 -2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.019 4.706 -4.586 1.00 0.00 H new ATOM 0 HE ARG A 66 11.123 6.634 -4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.229 6.002 -2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.533 7.707 -2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.522 8.822 -3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.008 9.297 -2.944 1.00 0.00 H new ATOM 987 N LYS A 67 9.911 2.715 -8.012 1.00 0.00 N ATOM 988 CA LYS A 67 9.599 2.809 -9.433 1.00 0.00 C ATOM 989 C LYS A 67 8.258 2.149 -9.741 1.00 0.00 C ATOM 990 O LYS A 67 7.336 2.797 -10.236 1.00 0.00 O ATOM 991 CB LYS A 67 10.704 2.153 -10.265 1.00 0.00 C ATOM 992 CG LYS A 67 11.814 3.110 -10.664 1.00 0.00 C ATOM 993 CD LYS A 67 12.975 2.377 -11.315 1.00 0.00 C ATOM 994 CE LYS A 67 12.746 2.186 -12.807 1.00 0.00 C ATOM 995 NZ LYS A 67 11.784 1.085 -13.084 1.00 0.00 N ATOM 0 H LYS A 67 10.789 2.239 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 67 9.534 3.865 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.134 1.328 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.264 1.725 -11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.421 3.857 -11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.168 3.645 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.896 2.938 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.107 1.406 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.370 3.114 -13.238 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.696 1.969 -13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.044 0.613 -13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.811 0.396 -12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.824 1.476 -13.167 1.00 0.00 H new ATOM 1009 N ALA A 68 8.156 0.858 -9.442 1.00 0.00 N ATOM 1010 CA ALA A 68 6.927 0.114 -9.683 1.00 0.00 C ATOM 1011 C ALA A 68 5.829 0.538 -8.714 1.00 0.00 C ATOM 1012 O ALA A 68 4.660 0.641 -9.090 1.00 0.00 O ATOM 1013 CB ALA A 68 7.185 -1.382 -9.567 1.00 0.00 C ATOM 0 H ALA A 68 8.910 0.306 -9.033 1.00 0.00 H new ATOM 0 HA ALA A 68 6.589 0.337 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.258 -1.926 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.932 -1.681 -10.303 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.550 -1.612 -8.566 1.00 0.00 H new ATOM 1019 N LEU A 69 6.210 0.783 -7.465 1.00 0.00 N ATOM 1020 CA LEU A 69 5.257 1.197 -6.441 1.00 0.00 C ATOM 1021 C LEU A 69 4.424 2.381 -6.920 1.00 0.00 C ATOM 1022 O LEU A 69 3.192 2.337 -6.898 1.00 0.00 O ATOM 1023 CB LEU A 69 5.992 1.564 -5.150 1.00 0.00 C ATOM 1024 CG LEU A 69 5.131 2.153 -4.033 1.00 0.00 C ATOM 1025 CD1 LEU A 69 4.044 1.172 -3.622 1.00 0.00 C ATOM 1026 CD2 LEU A 69 5.993 2.527 -2.837 1.00 0.00 C ATOM 0 H LEU A 69 7.172 0.702 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 69 4.586 0.361 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.484 0.669 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.777 2.281 -5.393 1.00 0.00 H new ATOM 0 HG LEU A 69 4.652 3.057 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.441 1.609 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.408 0.953 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.502 0.250 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.364 2.945 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.500 1.638 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.734 3.267 -3.140 1.00 0.00 H new ATOM 1038 N LEU A 70 5.101 3.438 -7.354 1.00 0.00 N ATOM 1039 CA LEU A 70 4.424 4.635 -7.841 1.00 0.00 C ATOM 1040 C LEU A 70 3.620 4.330 -9.101 1.00 0.00 C ATOM 1041 O LEU A 70 2.441 4.670 -9.194 1.00 0.00 O ATOM 1042 CB LEU A 70 5.440 5.741 -8.125 1.00 0.00 C ATOM 1043 CG LEU A 70 6.088 6.387 -6.901 1.00 0.00 C ATOM 1044 CD1 LEU A 70 7.196 7.340 -7.323 1.00 0.00 C ATOM 1045 CD2 LEU A 70 5.045 7.116 -6.067 1.00 0.00 C ATOM 0 H LEU A 70 6.119 3.491 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 70 3.736 4.974 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.229 5.329 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.946 6.521 -8.704 1.00 0.00 H new ATOM 0 HG LEU A 70 6.528 5.599 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.645 7.790 -6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.957 6.791 -7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.780 8.123 -7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.525 7.570 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.575 7.893 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.286 6.408 -5.733 1.00 0.00 H new ATOM 1057 N GLN A 71 4.266 3.686 -10.068 1.00 0.00 N ATOM 1058 CA GLN A 71 3.611 3.334 -11.322 1.00 0.00 C ATOM 1059 C GLN A 71 2.153 2.956 -11.087 1.00 0.00 C ATOM 1060 O GLN A 71 1.258 3.437 -11.780 1.00 0.00 O ATOM 1061 CB GLN A 71 4.348 2.179 -12.001 1.00 0.00 C ATOM 1062 CG GLN A 71 5.448 2.631 -12.948 1.00 0.00 C ATOM 1063 CD GLN A 71 4.931 3.522 -14.060 1.00 0.00 C ATOM 1064 OE1 GLN A 71 3.722 3.690 -14.226 1.00 0.00 O ATOM 1065 NE2 GLN A 71 5.846 4.100 -14.829 1.00 0.00 N ATOM 0 H GLN A 71 5.242 3.397 -10.007 1.00 0.00 H new ATOM 0 HA GLN A 71 3.640 4.206 -11.975 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.781 1.535 -11.235 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.629 1.576 -12.555 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.211 3.167 -12.383 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.930 1.756 -13.383 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.837 3.933 -14.656 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.558 4.711 -15.593 1.00 0.00 H new ATOM 1074 N GLU A 72 1.923 2.089 -10.106 1.00 0.00 N ATOM 1075 CA GLU A 72 0.573 1.645 -9.780 1.00 0.00 C ATOM 1076 C GLU A 72 -0.268 2.802 -9.247 1.00 0.00 C ATOM 1077 O GLU A 72 -1.318 3.128 -9.802 1.00 0.00 O ATOM 1078 CB GLU A 72 0.618 0.515 -8.749 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.754 0.085 -8.257 1.00 0.00 C ATOM 1080 CD GLU A 72 -1.538 -0.676 -9.309 1.00 0.00 C ATOM 1081 OE1 GLU A 72 -0.906 -1.244 -10.224 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -2.783 -0.704 -9.216 1.00 0.00 O ATOM 0 H GLU A 72 2.654 1.680 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 72 0.110 1.274 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.124 -0.345 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.216 0.836 -7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.639 -0.540 -7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.320 0.966 -7.954 1.00 0.00 H new ATOM 1089 N LEU A 73 0.201 3.418 -8.168 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.506 4.538 -7.559 1.00 0.00 C ATOM 1091 C LEU A 73 -1.081 5.464 -8.625 1.00 0.00 C ATOM 1092 O LEU A 73 -2.279 5.744 -8.636 1.00 0.00 O ATOM 1093 CB LEU A 73 0.435 5.321 -6.640 1.00 0.00 C ATOM 1094 CG LEU A 73 0.534 4.822 -5.198 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.574 5.621 -4.427 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.821 4.903 -4.511 1.00 0.00 C ATOM 0 H LEU A 73 1.068 3.161 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.331 4.138 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.433 5.306 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.110 6.361 -6.622 1.00 0.00 H new ATOM 0 HG LEU A 73 0.848 3.778 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.631 5.252 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.547 5.511 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.291 6.674 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.731 4.544 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.164 5.938 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.540 4.286 -5.050 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.218 5.934 -9.521 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.642 6.827 -10.593 1.00 0.00 C ATOM 1110 C GLN A 74 -1.883 6.284 -11.295 1.00 0.00 C ATOM 1111 O GLN A 74 -2.775 7.043 -11.675 1.00 0.00 O ATOM 1112 CB GLN A 74 0.489 7.016 -11.604 1.00 0.00 C ATOM 1113 CG GLN A 74 1.764 7.575 -10.993 1.00 0.00 C ATOM 1114 CD GLN A 74 2.960 7.442 -11.915 1.00 0.00 C ATOM 1115 OE1 GLN A 74 3.134 8.233 -12.843 1.00 0.00 O ATOM 1116 NE2 GLN A 74 3.793 6.440 -11.663 1.00 0.00 N ATOM 0 H GLN A 74 0.777 5.711 -9.526 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.890 7.792 -10.152 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.711 6.057 -12.072 1.00 0.00 H new ATOM 0 HB3 GLN A 74 0.151 7.686 -12.394 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.614 8.626 -10.748 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.972 7.056 -10.057 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.610 5.808 -10.883 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.616 6.302 -12.249 1.00 0.00 H new ATOM 1125 N ARG A 75 -1.931 4.967 -11.464 1.00 0.00 N ATOM 1126 CA ARG A 75 -3.062 4.324 -12.123 1.00 0.00 C ATOM 1127 C ARG A 75 -4.375 4.698 -11.441 1.00 0.00 C ATOM 1128 O ARG A 75 -5.420 4.776 -12.085 1.00 0.00 O ATOM 1129 CB ARG A 75 -2.887 2.804 -12.115 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.545 2.343 -12.662 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.609 2.096 -14.160 1.00 0.00 C ATOM 1132 NE ARG A 75 -0.312 2.286 -14.803 1.00 0.00 N ATOM 1133 CZ ARG A 75 -0.132 2.257 -16.118 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -1.162 2.049 -16.927 1.00 0.00 N ATOM 1135 NH2 ARG A 75 1.079 2.440 -16.628 1.00 0.00 N ATOM 0 H ARG A 75 -1.201 4.325 -11.154 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.096 4.675 -13.154 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.998 2.439 -11.094 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.685 2.352 -12.704 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.786 3.096 -12.448 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.239 1.428 -12.154 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.960 1.081 -14.345 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.338 2.772 -14.608 1.00 0.00 H new ATOM 0 HE ARG A 75 0.501 2.450 -14.209 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.095 1.911 -16.539 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.021 2.027 -17.937 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.874 2.603 -16.010 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.216 2.417 -17.639 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.311 4.929 -10.135 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.494 5.295 -9.365 1.00 0.00 C ATOM 1151 C TRP A 76 -5.696 6.806 -9.362 1.00 0.00 C ATOM 1152 O TRP A 76 -6.610 7.322 -10.004 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.374 4.781 -7.929 1.00 0.00 C ATOM 1154 CG TRP A 76 -5.092 3.311 -7.846 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -3.985 2.718 -7.312 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -5.932 2.250 -8.314 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -4.085 1.351 -7.419 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.270 1.039 -8.030 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.178 2.204 -8.944 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -5.815 -0.201 -8.356 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -7.718 0.973 -9.267 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.037 -0.215 -8.972 1.00 0.00 C ATOM 0 H TRP A 76 -3.453 4.869 -9.587 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.361 4.832 -9.837 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.578 5.326 -7.421 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.299 4.997 -7.395 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -3.152 3.245 -6.870 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.390 0.679 -7.096 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.710 3.115 -9.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.292 -1.119 -8.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -8.681 0.927 -9.755 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.485 -1.161 -9.236 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.835 7.512 -8.634 1.00 0.00 N ATOM 1174 CA ALA A 77 -4.918 8.964 -8.550 1.00 0.00 C ATOM 1175 C ALA A 77 -4.416 9.618 -9.833 1.00 0.00 C ATOM 1176 O ALA A 77 -5.201 10.139 -10.625 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.126 9.469 -7.353 1.00 0.00 C ATOM 0 H ALA A 77 -4.073 7.101 -8.095 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.965 9.237 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.197 10.556 -7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.532 9.036 -6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.081 9.178 -7.459 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.101 9.589 -10.032 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.517 10.183 -11.219 1.00 0.00 C ATOM 1185 C GLY A 78 -1.107 10.687 -10.982 1.00 0.00 C ATOM 1186 O GLY A 78 -0.138 9.929 -11.029 1.00 0.00 O ATOM 0 H GLY A 78 -2.430 9.164 -9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.506 9.446 -12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.144 11.010 -11.554 1.00 0.00 H new ATOM 1190 N PRO A 79 -0.977 11.996 -10.722 1.00 0.00 N ATOM 1191 CA PRO A 79 0.321 12.630 -10.473 1.00 0.00 C ATOM 1192 C PRO A 79 0.926 12.205 -9.139 1.00 0.00 C ATOM 1193 O PRO A 79 0.453 12.606 -8.075 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.011 14.124 -10.459 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.448 14.190 -10.071 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.089 12.959 -10.651 1.00 0.00 C ATOM 0 HA PRO A 79 1.062 12.352 -11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.616 14.662 -9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 79 0.156 14.576 -11.437 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.559 14.214 -8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.916 15.094 -10.460 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.898 12.592 -10.020 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.515 13.154 -11.635 1.00 0.00 H new ATOM 1204 N LEU A 80 1.975 11.393 -9.204 1.00 0.00 N ATOM 1205 CA LEU A 80 2.646 10.914 -8.000 1.00 0.00 C ATOM 1206 C LEU A 80 4.106 11.357 -7.979 1.00 0.00 C ATOM 1207 O LEU A 80 4.864 11.130 -8.922 1.00 0.00 O ATOM 1208 CB LEU A 80 2.564 9.389 -7.919 1.00 0.00 C ATOM 1209 CG LEU A 80 1.351 8.820 -7.182 1.00 0.00 C ATOM 1210 CD1 LEU A 80 1.380 9.224 -5.716 1.00 0.00 C ATOM 1211 CD2 LEU A 80 0.061 9.287 -7.839 1.00 0.00 C ATOM 0 H LEU A 80 2.379 11.053 -10.076 1.00 0.00 H new ATOM 0 HA LEU A 80 2.141 11.345 -7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.567 8.991 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.466 9.022 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 80 1.392 7.732 -7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.509 8.810 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.288 8.841 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.363 10.311 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.792 8.873 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.012 10.376 -7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.037 8.948 -8.875 1.00 0.00 H new ATOM 1223 N PRO A 81 4.512 12.003 -6.875 1.00 0.00 N ATOM 1224 CA PRO A 81 5.884 12.489 -6.702 1.00 0.00 C ATOM 1225 C PRO A 81 6.884 11.352 -6.522 1.00 0.00 C ATOM 1226 O PRO A 81 6.513 10.178 -6.541 1.00 0.00 O ATOM 1227 CB PRO A 81 5.803 13.336 -5.429 1.00 0.00 C ATOM 1228 CG PRO A 81 4.647 12.775 -4.675 1.00 0.00 C ATOM 1229 CD PRO A 81 3.662 12.308 -5.712 1.00 0.00 C ATOM 0 HA PRO A 81 6.234 13.039 -7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.724 13.269 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.649 14.389 -5.663 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.961 11.950 -4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.202 13.529 -4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.110 11.430 -5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.926 13.078 -5.943 1.00 0.00 H new ATOM 1237 N ALA A 82 8.152 11.708 -6.347 1.00 0.00 N ATOM 1238 CA ALA A 82 9.205 10.717 -6.162 1.00 0.00 C ATOM 1239 C ALA A 82 9.913 10.911 -4.825 1.00 0.00 C ATOM 1240 O ALA A 82 9.735 10.124 -3.895 1.00 0.00 O ATOM 1241 CB ALA A 82 10.205 10.788 -7.307 1.00 0.00 C ATOM 0 H ALA A 82 8.475 12.675 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 82 8.744 9.730 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.985 10.042 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.694 10.592 -8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.653 11.781 -7.338 1.00 0.00 H new ATOM 1247 N THR A 83 10.718 11.965 -4.736 1.00 0.00 N ATOM 1248 CA THR A 83 11.454 12.264 -3.514 1.00 0.00 C ATOM 1249 C THR A 83 10.536 12.239 -2.298 1.00 0.00 C ATOM 1250 O THR A 83 10.837 11.595 -1.293 1.00 0.00 O ATOM 1251 CB THR A 83 12.144 13.639 -3.594 1.00 0.00 C ATOM 1252 OG1 THR A 83 12.978 13.701 -4.757 1.00 0.00 O ATOM 1253 CG2 THR A 83 12.980 13.899 -2.350 1.00 0.00 C ATOM 0 H THR A 83 10.877 12.626 -5.496 1.00 0.00 H new ATOM 0 HA THR A 83 12.214 11.490 -3.408 1.00 0.00 H new ATOM 0 HB THR A 83 11.372 14.405 -3.659 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.412 14.579 -4.802 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.457 14.876 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.338 13.880 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.745 13.128 -2.258 1.00 0.00 H new ATOM 1261 N HIS A 84 9.413 12.944 -2.396 1.00 0.00 N ATOM 1262 CA HIS A 84 8.448 13.001 -1.304 1.00 0.00 C ATOM 1263 C HIS A 84 8.314 11.641 -0.625 1.00 0.00 C ATOM 1264 O HIS A 84 8.141 11.557 0.591 1.00 0.00 O ATOM 1265 CB HIS A 84 7.086 13.463 -1.822 1.00 0.00 C ATOM 1266 CG HIS A 84 7.026 14.927 -2.128 1.00 0.00 C ATOM 1267 ND1 HIS A 84 6.176 15.798 -1.480 1.00 0.00 N ATOM 1268 CD2 HIS A 84 7.720 15.674 -3.019 1.00 0.00 C ATOM 1269 CE1 HIS A 84 6.347 17.017 -1.960 1.00 0.00 C ATOM 1270 NE2 HIS A 84 7.280 16.969 -2.896 1.00 0.00 N ATOM 0 H HIS A 84 9.149 13.484 -3.220 1.00 0.00 H new ATOM 0 HA HIS A 84 8.811 13.719 -0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.840 12.902 -2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.324 13.224 -1.080 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.479 15.318 -3.700 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.815 17.902 -1.642 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.618 17.764 -3.438 1.00 0.00 H new ATOM 1279 N LEU A 85 8.395 10.579 -1.419 1.00 0.00 N ATOM 1280 CA LEU A 85 8.281 9.223 -0.896 1.00 0.00 C ATOM 1281 C LEU A 85 9.436 8.905 0.049 1.00 0.00 C ATOM 1282 O LEU A 85 10.603 9.087 -0.297 1.00 0.00 O ATOM 1283 CB LEU A 85 8.254 8.213 -2.044 1.00 0.00 C ATOM 1284 CG LEU A 85 8.156 6.740 -1.641 1.00 0.00 C ATOM 1285 CD1 LEU A 85 6.750 6.409 -1.170 1.00 0.00 C ATOM 1286 CD2 LEU A 85 8.558 5.842 -2.802 1.00 0.00 C ATOM 0 H LEU A 85 8.539 10.631 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 85 7.348 9.153 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.408 8.449 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.157 8.347 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 85 8.845 6.562 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.699 5.357 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.499 7.029 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.041 6.603 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.482 4.798 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.895 6.022 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.585 6.062 -3.093 1.00 0.00 H new ATOM 1298 N ARG A 86 9.102 8.427 1.244 1.00 0.00 N ATOM 1299 CA ARG A 86 10.110 8.083 2.239 1.00 0.00 C ATOM 1300 C ARG A 86 9.674 6.873 3.059 1.00 0.00 C ATOM 1301 O ARG A 86 8.804 6.977 3.925 1.00 0.00 O ATOM 1302 CB ARG A 86 10.371 9.273 3.163 1.00 0.00 C ATOM 1303 CG ARG A 86 10.816 10.528 2.430 1.00 0.00 C ATOM 1304 CD ARG A 86 11.732 11.382 3.293 1.00 0.00 C ATOM 1305 NE ARG A 86 12.522 12.316 2.494 1.00 0.00 N ATOM 1306 CZ ARG A 86 12.092 13.519 2.132 1.00 0.00 C ATOM 1307 NH1 ARG A 86 10.886 13.933 2.494 1.00 0.00 N ATOM 1308 NH2 ARG A 86 12.870 14.312 1.404 1.00 0.00 N ATOM 0 H ARG A 86 8.141 8.269 1.546 1.00 0.00 H new ATOM 0 HA ARG A 86 11.032 7.831 1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.462 9.493 3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.135 8.997 3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.334 10.250 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.942 11.110 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.135 11.938 4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.401 10.736 3.862 1.00 0.00 H new ATOM 0 HE ARG A 86 13.455 12.028 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.285 13.327 3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.559 14.858 2.214 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.798 13.997 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.539 15.236 1.126 1.00 0.00 H new ATOM 1322 N HIS A 87 10.284 5.725 2.781 1.00 0.00 N ATOM 1323 CA HIS A 87 9.959 4.494 3.494 1.00 0.00 C ATOM 1324 C HIS A 87 9.797 4.758 4.988 1.00 0.00 C ATOM 1325 O HIS A 87 10.664 5.368 5.618 1.00 0.00 O ATOM 1326 CB HIS A 87 11.045 3.445 3.264 1.00 0.00 C ATOM 1327 CG HIS A 87 11.008 2.317 4.249 1.00 0.00 C ATOM 1328 ND1 HIS A 87 11.911 2.191 5.283 1.00 0.00 N ATOM 1329 CD2 HIS A 87 10.167 1.261 4.354 1.00 0.00 C ATOM 1330 CE1 HIS A 87 11.627 1.105 5.982 1.00 0.00 C ATOM 1331 NE2 HIS A 87 10.574 0.524 5.439 1.00 0.00 N ATOM 0 H HIS A 87 11.006 5.621 2.068 1.00 0.00 H new ATOM 0 HA HIS A 87 9.013 4.117 3.105 1.00 0.00 H new ATOM 0 HB2 HIS A 87 10.940 3.041 2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.021 3.928 3.314 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.332 1.040 3.706 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.165 0.753 6.850 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.134 -0.334 5.771 1.00 0.00 H new ATOM 1340 N LEU A 88 8.686 4.297 5.549 1.00 0.00 N ATOM 1341 CA LEU A 88 8.411 4.483 6.970 1.00 0.00 C ATOM 1342 C LEU A 88 8.163 3.145 7.657 1.00 0.00 C ATOM 1343 O LEU A 88 7.028 2.675 7.732 1.00 0.00 O ATOM 1344 CB LEU A 88 7.200 5.399 7.159 1.00 0.00 C ATOM 1345 CG LEU A 88 7.195 6.686 6.331 1.00 0.00 C ATOM 1346 CD1 LEU A 88 5.949 7.505 6.626 1.00 0.00 C ATOM 1347 CD2 LEU A 88 8.449 7.502 6.608 1.00 0.00 C ATOM 0 H LEU A 88 7.960 3.791 5.042 1.00 0.00 H new ATOM 0 HA LEU A 88 9.285 4.947 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.300 4.833 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.135 5.669 8.213 1.00 0.00 H new ATOM 0 HG LEU A 88 7.186 6.416 5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.963 8.416 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.063 6.921 6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.927 7.765 7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.429 8.414 6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.488 7.762 7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.330 6.916 6.346 1.00 0.00 H new ATOM 1359 N GLY A 89 9.233 2.536 8.160 1.00 0.00 N ATOM 1360 CA GLY A 89 9.109 1.258 8.837 1.00 0.00 C ATOM 1361 C GLY A 89 8.556 0.174 7.933 1.00 0.00 C ATOM 1362 O GLY A 89 8.433 0.369 6.724 1.00 0.00 O ATOM 0 H GLY A 89 10.183 2.905 8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.086 0.952 9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.458 1.371 9.704 1.00 0.00 H new ATOM 1366 N GLU A 90 8.223 -0.971 8.519 1.00 0.00 N ATOM 1367 CA GLU A 90 7.682 -2.090 7.757 1.00 0.00 C ATOM 1368 C GLU A 90 6.672 -2.876 8.587 1.00 0.00 C ATOM 1369 O GLU A 90 6.524 -2.646 9.787 1.00 0.00 O ATOM 1370 CB GLU A 90 8.812 -3.015 7.298 1.00 0.00 C ATOM 1371 CG GLU A 90 9.360 -3.902 8.403 1.00 0.00 C ATOM 1372 CD GLU A 90 10.265 -3.150 9.359 1.00 0.00 C ATOM 1373 OE1 GLU A 90 10.912 -2.176 8.920 1.00 0.00 O ATOM 1374 OE2 GLU A 90 10.327 -3.535 10.545 1.00 0.00 O ATOM 0 H GLU A 90 8.318 -1.148 9.519 1.00 0.00 H new ATOM 0 HA GLU A 90 7.172 -1.688 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.448 -3.644 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.623 -2.410 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.530 -4.337 8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.914 -4.729 7.959 1.00 0.00 H new ATOM 1381 N VAL A 91 5.977 -3.805 7.938 1.00 0.00 N ATOM 1382 CA VAL A 91 4.980 -4.627 8.614 1.00 0.00 C ATOM 1383 C VAL A 91 5.027 -6.068 8.120 1.00 0.00 C ATOM 1384 O VAL A 91 4.778 -6.341 6.946 1.00 0.00 O ATOM 1385 CB VAL A 91 3.559 -4.070 8.405 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.523 -5.015 8.996 1.00 0.00 C ATOM 1387 CG2 VAL A 91 3.435 -2.682 9.015 1.00 0.00 C ATOM 0 H VAL A 91 6.086 -4.007 6.944 1.00 0.00 H new ATOM 0 HA VAL A 91 5.219 -4.604 9.677 1.00 0.00 H new ATOM 0 HB VAL A 91 3.374 -3.989 7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.525 -4.605 8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.597 -5.987 8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.704 -5.131 10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.425 -2.304 8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.640 -2.735 10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.151 -2.011 8.541 1.00 0.00 H new ATOM 1397 N VAL A 92 5.349 -6.987 9.025 1.00 0.00 N ATOM 1398 CA VAL A 92 5.428 -8.402 8.681 1.00 0.00 C ATOM 1399 C VAL A 92 4.632 -9.251 9.666 1.00 0.00 C ATOM 1400 O VAL A 92 5.047 -9.454 10.806 1.00 0.00 O ATOM 1401 CB VAL A 92 6.887 -8.894 8.661 1.00 0.00 C ATOM 1402 CG1 VAL A 92 6.939 -10.408 8.530 1.00 0.00 C ATOM 1403 CG2 VAL A 92 7.658 -8.227 7.531 1.00 0.00 C ATOM 0 H VAL A 92 5.559 -6.777 10.001 1.00 0.00 H new ATOM 0 HA VAL A 92 5.002 -8.510 7.684 1.00 0.00 H new ATOM 0 HB VAL A 92 7.358 -8.619 9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.978 -10.737 8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.424 -10.864 9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.452 -10.710 7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.687 -8.586 7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.189 -8.470 6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.651 -7.146 7.674 1.00 0.00 H new ATOM 1413 N HIS A 93 3.483 -9.747 9.216 1.00 0.00 N ATOM 1414 CA HIS A 93 2.627 -10.577 10.057 1.00 0.00 C ATOM 1415 C HIS A 93 2.842 -12.057 9.757 1.00 0.00 C ATOM 1416 O HIS A 93 2.414 -12.560 8.717 1.00 0.00 O ATOM 1417 CB HIS A 93 1.157 -10.209 9.846 1.00 0.00 C ATOM 1418 CG HIS A 93 0.217 -10.968 10.730 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.254 -10.473 11.928 1.00 0.00 N ATOM 1420 CD2 HIS A 93 -0.341 -12.192 10.585 1.00 0.00 C ATOM 1421 CE1 HIS A 93 -1.060 -11.361 12.481 1.00 0.00 C ATOM 1422 NE2 HIS A 93 -1.131 -12.413 11.686 1.00 0.00 N ATOM 0 H HIS A 93 3.124 -9.589 8.275 1.00 0.00 H new ATOM 0 HA HIS A 93 2.893 -10.393 11.098 1.00 0.00 H new ATOM 0 HB2 HIS A 93 1.029 -9.141 10.025 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.891 -10.392 8.805 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.193 -12.869 9.757 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.574 -11.246 13.424 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.683 -13.253 11.861 1.00 0.00 H new ATOM 1431 N THR A 94 3.506 -12.751 10.675 1.00 0.00 N ATOM 1432 CA THR A 94 3.779 -14.174 10.508 1.00 0.00 C ATOM 1433 C THR A 94 2.557 -15.013 10.861 1.00 0.00 C ATOM 1434 O THR A 94 2.262 -15.237 12.035 1.00 0.00 O ATOM 1435 CB THR A 94 4.967 -14.624 11.380 1.00 0.00 C ATOM 1436 OG1 THR A 94 4.939 -13.939 12.636 1.00 0.00 O ATOM 1437 CG2 THR A 94 6.288 -14.352 10.677 1.00 0.00 C ATOM 0 H THR A 94 3.865 -12.352 11.542 1.00 0.00 H new ATOM 0 HA THR A 94 4.030 -14.327 9.458 1.00 0.00 H new ATOM 0 HB THR A 94 4.879 -15.697 11.550 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.696 -14.232 13.185 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.112 -14.678 11.312 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.318 -14.899 9.734 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.382 -13.284 10.480 1.00 0.00 H new ATOM 1445 N PHE A 95 1.847 -15.477 9.837 1.00 0.00 N ATOM 1446 CA PHE A 95 0.656 -16.293 10.040 1.00 0.00 C ATOM 1447 C PHE A 95 1.028 -17.680 10.555 1.00 0.00 C ATOM 1448 O PHE A 95 2.203 -17.987 10.751 1.00 0.00 O ATOM 1449 CB PHE A 95 -0.131 -16.416 8.734 1.00 0.00 C ATOM 1450 CG PHE A 95 -0.849 -15.155 8.344 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -2.012 -14.776 8.995 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -0.360 -14.349 7.329 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.675 -13.616 8.640 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.019 -13.187 6.970 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.177 -12.821 7.626 1.00 0.00 C ATOM 0 H PHE A 95 2.076 -15.302 8.859 1.00 0.00 H new ATOM 0 HA PHE A 95 0.033 -15.803 10.788 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.552 -16.698 7.933 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.858 -17.223 8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.405 -15.394 9.789 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.546 -14.631 6.812 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.581 -13.332 9.155 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.628 -12.567 6.177 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.693 -11.914 7.347 1.00 0.00 H new ATOM 1465 N SER A 96 0.016 -18.513 10.774 1.00 0.00 N ATOM 1466 CA SER A 96 0.235 -19.867 11.270 1.00 0.00 C ATOM 1467 C SER A 96 1.336 -20.566 10.478 1.00 0.00 C ATOM 1468 O SER A 96 2.416 -20.840 11.003 1.00 0.00 O ATOM 1469 CB SER A 96 -1.061 -20.678 11.191 1.00 0.00 C ATOM 1470 OG SER A 96 -1.013 -21.801 12.054 1.00 0.00 O ATOM 0 H SER A 96 -0.963 -18.275 10.616 1.00 0.00 H new ATOM 0 HA SER A 96 0.550 -19.799 12.311 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.907 -20.045 11.459 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.224 -21.010 10.166 1.00 0.00 H new ATOM 0 HG SER A 96 -1.853 -22.302 11.987 1.00 0.00 H new ATOM 1476 N HIS A 97 1.054 -20.852 9.212 1.00 0.00 N ATOM 1477 CA HIS A 97 2.019 -21.518 8.345 1.00 0.00 C ATOM 1478 C HIS A 97 2.351 -20.651 7.134 1.00 0.00 C ATOM 1479 O HIS A 97 2.698 -21.163 6.069 1.00 0.00 O ATOM 1480 CB HIS A 97 1.475 -22.871 7.885 1.00 0.00 C ATOM 1481 CG HIS A 97 0.438 -22.765 6.808 1.00 0.00 C ATOM 1482 ND1 HIS A 97 0.312 -23.688 5.792 1.00 0.00 N ATOM 1483 CD2 HIS A 97 -0.524 -21.838 6.595 1.00 0.00 C ATOM 1484 CE1 HIS A 97 -0.683 -23.333 5.000 1.00 0.00 C ATOM 1485 NE2 HIS A 97 -1.207 -22.213 5.464 1.00 0.00 N ATOM 0 H HIS A 97 0.165 -20.633 8.763 1.00 0.00 H new ATOM 0 HA HIS A 97 2.933 -21.678 8.916 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.302 -23.482 7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.046 -23.391 8.741 1.00 0.00 H new ATOM 0 HD1 HIS A 97 0.896 -24.516 5.671 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -0.719 -20.966 7.201 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.013 -23.868 4.122 1.00 0.00 H new ATOM 1494 N ILE A 98 2.241 -19.339 7.304 1.00 0.00 N ATOM 1495 CA ILE A 98 2.531 -18.402 6.225 1.00 0.00 C ATOM 1496 C ILE A 98 3.174 -17.127 6.761 1.00 0.00 C ATOM 1497 O ILE A 98 2.870 -16.683 7.869 1.00 0.00 O ATOM 1498 CB ILE A 98 1.255 -18.031 5.445 1.00 0.00 C ATOM 1499 CG1 ILE A 98 0.619 -19.284 4.840 1.00 0.00 C ATOM 1500 CG2 ILE A 98 1.575 -17.016 4.359 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -0.825 -19.092 4.433 1.00 0.00 C ATOM 0 H ILE A 98 1.953 -18.900 8.178 1.00 0.00 H new ATOM 0 HA ILE A 98 3.228 -18.902 5.552 1.00 0.00 H new ATOM 0 HB ILE A 98 0.542 -17.582 6.136 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.196 -19.590 3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.679 -20.097 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.664 -16.764 3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.988 -16.115 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.303 -17.440 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.211 -20.021 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.416 -18.816 5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.890 -18.301 3.686 1.00 0.00 H new ATOM 1513 N LYS A 99 4.062 -16.541 5.967 1.00 0.00 N ATOM 1514 CA LYS A 99 4.749 -15.315 6.358 1.00 0.00 C ATOM 1515 C LYS A 99 4.594 -14.240 5.287 1.00 0.00 C ATOM 1516 O LYS A 99 5.040 -14.412 4.152 1.00 0.00 O ATOM 1517 CB LYS A 99 6.232 -15.593 6.607 1.00 0.00 C ATOM 1518 CG LYS A 99 7.044 -14.343 6.901 1.00 0.00 C ATOM 1519 CD LYS A 99 8.379 -14.683 7.543 1.00 0.00 C ATOM 1520 CE LYS A 99 9.358 -13.523 7.444 1.00 0.00 C ATOM 1521 NZ LYS A 99 10.159 -13.581 6.190 1.00 0.00 N ATOM 0 H LYS A 99 4.324 -16.895 5.047 1.00 0.00 H new ATOM 0 HA LYS A 99 4.295 -14.952 7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.328 -16.284 7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.651 -16.091 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.214 -13.793 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.478 -13.687 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.225 -14.941 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.804 -15.561 7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.811 -12.581 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.028 -13.538 8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.814 -12.774 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.701 -14.468 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.522 -13.541 5.369 1.00 0.00 H new ATOM 1535 N LEU A 100 3.962 -13.131 5.655 1.00 0.00 N ATOM 1536 CA LEU A 100 3.751 -12.026 4.727 1.00 0.00 C ATOM 1537 C LEU A 100 4.688 -10.864 5.039 1.00 0.00 C ATOM 1538 O LEU A 100 4.936 -10.547 6.203 1.00 0.00 O ATOM 1539 CB LEU A 100 2.297 -11.554 4.786 1.00 0.00 C ATOM 1540 CG LEU A 100 1.333 -12.226 3.807 1.00 0.00 C ATOM 1541 CD1 LEU A 100 1.657 -11.824 2.377 1.00 0.00 C ATOM 1542 CD2 LEU A 100 1.383 -13.738 3.963 1.00 0.00 C ATOM 0 H LEU A 100 3.587 -12.973 6.590 1.00 0.00 H new ATOM 0 HA LEU A 100 3.970 -12.384 3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.925 -11.713 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.277 -10.479 4.605 1.00 0.00 H new ATOM 0 HG LEU A 100 0.321 -11.891 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.961 -12.312 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.568 -10.743 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.675 -12.129 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.691 -14.200 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.394 -14.091 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.100 -14.008 4.980 1.00 0.00 H new ATOM 1554 N THR A 101 5.206 -10.229 3.992 1.00 0.00 N ATOM 1555 CA THR A 101 6.115 -9.102 4.155 1.00 0.00 C ATOM 1556 C THR A 101 5.594 -7.867 3.429 1.00 0.00 C ATOM 1557 O THR A 101 5.590 -7.812 2.199 1.00 0.00 O ATOM 1558 CB THR A 101 7.524 -9.436 3.629 1.00 0.00 C ATOM 1559 OG1 THR A 101 8.038 -10.589 4.305 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.469 -8.260 3.831 1.00 0.00 C ATOM 0 H THR A 101 5.011 -10.477 3.022 1.00 0.00 H new ATOM 0 HA THR A 101 6.174 -8.895 5.224 1.00 0.00 H new ATOM 0 HB THR A 101 7.450 -9.644 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.933 -10.796 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.458 -8.519 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.090 -7.392 3.292 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.537 -8.026 4.893 1.00 0.00 H new ATOM 1568 N TYR A 102 5.156 -6.876 4.198 1.00 0.00 N ATOM 1569 CA TYR A 102 4.631 -5.640 3.628 1.00 0.00 C ATOM 1570 C TYR A 102 5.594 -4.480 3.861 1.00 0.00 C ATOM 1571 O TYR A 102 6.182 -4.355 4.935 1.00 0.00 O ATOM 1572 CB TYR A 102 3.265 -5.315 4.235 1.00 0.00 C ATOM 1573 CG TYR A 102 2.137 -6.149 3.670 1.00 0.00 C ATOM 1574 CD1 TYR A 102 1.864 -7.414 4.174 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.344 -5.671 2.635 1.00 0.00 C ATOM 1576 CE1 TYR A 102 0.835 -8.181 3.661 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.312 -6.429 2.117 1.00 0.00 C ATOM 1578 CZ TYR A 102 0.062 -7.684 2.633 1.00 0.00 C ATOM 1579 OH TYR A 102 -0.965 -8.444 2.121 1.00 0.00 O ATOM 0 H TYR A 102 5.154 -6.904 5.218 1.00 0.00 H new ATOM 0 HA TYR A 102 4.519 -5.784 2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.311 -5.465 5.314 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.045 -4.261 4.069 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.466 -7.805 4.981 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.538 -4.690 2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.638 -9.164 4.063 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.296 -6.042 1.313 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.412 -7.949 1.403 1.00 0.00 H new ATOM 1589 N GLN A 103 5.747 -3.634 2.847 1.00 0.00 N ATOM 1590 CA GLN A 103 6.639 -2.484 2.941 1.00 0.00 C ATOM 1591 C GLN A 103 5.846 -1.198 3.151 1.00 0.00 C ATOM 1592 O GLN A 103 5.151 -0.731 2.250 1.00 0.00 O ATOM 1593 CB GLN A 103 7.493 -2.370 1.677 1.00 0.00 C ATOM 1594 CG GLN A 103 8.339 -3.603 1.402 1.00 0.00 C ATOM 1595 CD GLN A 103 9.481 -3.759 2.384 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.376 -2.914 2.454 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.460 -4.842 3.152 1.00 0.00 N ATOM 0 H GLN A 103 5.266 -3.723 1.952 1.00 0.00 H new ATOM 0 HA GLN A 103 7.293 -2.631 3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.841 -2.189 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.148 -1.503 1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.706 -4.489 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.741 -3.545 0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.700 -5.517 3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.204 -4.999 3.832 1.00 0.00 H new ATOM 1606 N VAL A 104 5.956 -0.631 4.349 1.00 0.00 N ATOM 1607 CA VAL A 104 5.251 0.603 4.678 1.00 0.00 C ATOM 1608 C VAL A 104 5.837 1.790 3.921 1.00 0.00 C ATOM 1609 O VAL A 104 7.033 2.068 4.012 1.00 0.00 O ATOM 1610 CB VAL A 104 5.305 0.894 6.189 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.571 2.187 6.510 1.00 0.00 C ATOM 1612 CG2 VAL A 104 4.722 -0.270 6.977 1.00 0.00 C ATOM 0 H VAL A 104 6.526 -1.006 5.107 1.00 0.00 H new ATOM 0 HA VAL A 104 4.212 0.463 4.379 1.00 0.00 H new ATOM 0 HB VAL A 104 6.348 1.014 6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.620 2.376 7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.038 3.013 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.529 2.099 6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.768 -0.047 8.043 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.684 -0.424 6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.296 -1.173 6.770 1.00 0.00 H new ATOM 1622 N TYR A 105 4.987 2.487 3.176 1.00 0.00 N ATOM 1623 CA TYR A 105 5.421 3.644 2.401 1.00 0.00 C ATOM 1624 C TYR A 105 4.457 4.812 2.582 1.00 0.00 C ATOM 1625 O TYR A 105 3.249 4.672 2.391 1.00 0.00 O ATOM 1626 CB TYR A 105 5.529 3.281 0.920 1.00 0.00 C ATOM 1627 CG TYR A 105 6.825 2.591 0.558 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.004 3.314 0.421 1.00 0.00 C ATOM 1629 CD2 TYR A 105 6.871 1.217 0.355 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.190 2.688 0.089 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.053 0.583 0.026 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.210 1.323 -0.107 1.00 0.00 C ATOM 1633 OH TYR A 105 10.389 0.696 -0.435 1.00 0.00 O ATOM 0 H TYR A 105 3.994 2.272 3.092 1.00 0.00 H new ATOM 0 HA TYR A 105 6.403 3.947 2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.695 2.633 0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.432 4.189 0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.993 4.383 0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 105 5.967 0.635 0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.097 3.265 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.072 -0.486 -0.126 1.00 0.00 H new ATOM 0 HH TYR A 105 10.528 -0.071 0.159 1.00 0.00 H new ATOM 1643 N GLY A 106 5.000 5.968 2.951 1.00 0.00 N ATOM 1644 CA GLY A 106 4.175 7.145 3.150 1.00 0.00 C ATOM 1645 C GLY A 106 4.384 8.189 2.072 1.00 0.00 C ATOM 1646 O GLY A 106 5.492 8.697 1.893 1.00 0.00 O ATOM 0 H GLY A 106 5.997 6.110 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.126 6.851 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.400 7.582 4.123 1.00 0.00 H new ATOM 1650 N LEU A 107 3.317 8.510 1.347 1.00 0.00 N ATOM 1651 CA LEU A 107 3.388 9.499 0.277 1.00 0.00 C ATOM 1652 C LEU A 107 2.203 10.456 0.341 1.00 0.00 C ATOM 1653 O LEU A 107 1.067 10.075 0.056 1.00 0.00 O ATOM 1654 CB LEU A 107 3.424 8.804 -1.085 1.00 0.00 C ATOM 1655 CG LEU A 107 3.786 9.688 -2.280 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.770 10.809 -2.441 1.00 0.00 C ATOM 1657 CD2 LEU A 107 5.189 10.255 -2.119 1.00 0.00 C ATOM 0 H LEU A 107 2.393 8.100 1.481 1.00 0.00 H new ATOM 0 HA LEU A 107 4.304 10.075 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.141 7.985 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.446 8.360 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 107 3.766 9.075 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.043 11.428 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.780 10.382 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.758 11.421 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.429 10.881 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.237 10.853 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.907 9.437 -2.054 1.00 0.00 H new ATOM 1669 N ALA A 108 2.474 11.702 0.716 1.00 0.00 N ATOM 1670 CA ALA A 108 1.430 12.715 0.813 1.00 0.00 C ATOM 1671 C ALA A 108 1.766 13.932 -0.041 1.00 0.00 C ATOM 1672 O ALA A 108 2.919 14.361 -0.105 1.00 0.00 O ATOM 1673 CB ALA A 108 1.226 13.126 2.264 1.00 0.00 C ATOM 0 H ALA A 108 3.408 12.034 0.958 1.00 0.00 H new ATOM 0 HA ALA A 108 0.503 12.283 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.444 13.883 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.933 12.256 2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.156 13.534 2.661 1.00 0.00 H new ATOM 1679 N LEU A 109 0.752 14.487 -0.697 1.00 0.00 N ATOM 1680 CA LEU A 109 0.940 15.656 -1.549 1.00 0.00 C ATOM 1681 C LEU A 109 1.046 16.927 -0.713 1.00 0.00 C ATOM 1682 O LEU A 109 0.039 17.464 -0.251 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.218 15.780 -2.541 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.337 14.661 -3.576 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -1.652 14.771 -4.333 1.00 0.00 C ATOM 1686 CD2 LEU A 109 0.840 14.699 -4.540 1.00 0.00 C ATOM 0 H LEU A 109 -0.208 14.146 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 109 1.871 15.527 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.150 15.827 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.117 16.728 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.322 13.705 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.719 13.966 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.483 14.694 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.698 15.732 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.739 13.896 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.856 15.659 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.769 14.570 -3.985 1.00 0.00 H new ATOM 1698 N GLU A 110 2.272 17.405 -0.524 1.00 0.00 N ATOM 1699 CA GLU A 110 2.509 18.615 0.256 1.00 0.00 C ATOM 1700 C GLU A 110 2.054 19.853 -0.511 1.00 0.00 C ATOM 1701 O GLU A 110 1.280 20.662 -0.002 1.00 0.00 O ATOM 1702 CB GLU A 110 3.992 18.736 0.611 1.00 0.00 C ATOM 1703 CG GLU A 110 4.321 19.970 1.435 1.00 0.00 C ATOM 1704 CD GLU A 110 3.646 19.962 2.793 1.00 0.00 C ATOM 1705 OE1 GLU A 110 3.625 18.892 3.437 1.00 0.00 O ATOM 1706 OE2 GLU A 110 3.138 21.023 3.211 1.00 0.00 O ATOM 0 H GLU A 110 3.116 16.973 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 110 1.928 18.545 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.298 17.848 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.577 18.757 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.401 20.035 1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.015 20.861 0.886 1.00 0.00 H new ATOM 1751 N PRO A 114 -3.608 18.271 -7.212 1.00 0.00 N ATOM 1752 CA PRO A 114 -4.574 17.300 -6.688 1.00 0.00 C ATOM 1753 C PRO A 114 -5.137 16.396 -7.780 1.00 0.00 C ATOM 1754 O PRO A 114 -4.970 16.664 -8.969 1.00 0.00 O ATOM 1755 CB PRO A 114 -5.678 18.180 -6.099 1.00 0.00 C ATOM 1756 CG PRO A 114 -5.587 19.460 -6.856 1.00 0.00 C ATOM 1757 CD PRO A 114 -4.130 19.647 -7.178 1.00 0.00 C ATOM 0 HA PRO A 114 -4.120 16.623 -5.965 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -6.658 17.718 -6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -5.529 18.340 -5.031 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.186 19.419 -7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.966 20.292 -6.263 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.992 20.153 -8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.626 20.249 -6.422 1.00 0.00 H new ATOM 1765 N VAL A 115 -5.806 15.325 -7.366 1.00 0.00 N ATOM 1766 CA VAL A 115 -6.396 14.382 -8.309 1.00 0.00 C ATOM 1767 C VAL A 115 -7.859 14.716 -8.577 1.00 0.00 C ATOM 1768 O VAL A 115 -8.305 14.727 -9.725 1.00 0.00 O ATOM 1769 CB VAL A 115 -6.299 12.935 -7.791 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -7.053 12.785 -6.478 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -6.826 11.960 -8.832 1.00 0.00 C ATOM 0 H VAL A 115 -5.953 15.089 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.830 14.467 -9.237 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.250 12.703 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.973 11.756 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.624 13.456 -5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.103 13.036 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -6.750 10.942 -8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.869 12.189 -9.049 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.237 12.049 -9.745 1.00 0.00 H new ATOM 1781 N THR A 116 -8.604 14.990 -7.510 1.00 0.00 N ATOM 1782 CA THR A 116 -10.017 15.325 -7.630 1.00 0.00 C ATOM 1783 C THR A 116 -10.732 14.364 -8.574 1.00 0.00 C ATOM 1784 O THR A 116 -11.699 14.735 -9.240 1.00 0.00 O ATOM 1785 CB THR A 116 -10.212 16.765 -8.138 1.00 0.00 C ATOM 1786 OG1 THR A 116 -9.754 16.875 -9.490 1.00 0.00 O ATOM 1787 CG2 THR A 116 -9.461 17.755 -7.260 1.00 0.00 C ATOM 0 H THR A 116 -8.251 14.986 -6.553 1.00 0.00 H new ATOM 0 HA THR A 116 -10.448 15.238 -6.632 1.00 0.00 H new ATOM 0 HB THR A 116 -11.275 17.000 -8.096 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.525 15.985 -9.831 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.614 18.766 -7.639 1.00 0.00 H new ATOM 0 HG22 THR A 116 -9.834 17.690 -6.238 1.00 0.00 H new ATOM 0 HG23 THR A 116 -8.397 17.519 -7.274 1.00 0.00 H new ATOM 1795 N THR A 117 -10.250 13.126 -8.628 1.00 0.00 N ATOM 1796 CA THR A 117 -10.842 12.112 -9.491 1.00 0.00 C ATOM 1797 C THR A 117 -10.270 10.732 -9.189 1.00 0.00 C ATOM 1798 O THR A 117 -9.128 10.604 -8.749 1.00 0.00 O ATOM 1799 CB THR A 117 -10.612 12.437 -10.979 1.00 0.00 C ATOM 1800 OG1 THR A 117 -11.503 11.666 -11.792 1.00 0.00 O ATOM 1801 CG2 THR A 117 -9.173 12.146 -11.380 1.00 0.00 C ATOM 0 H THR A 117 -9.451 12.802 -8.084 1.00 0.00 H new ATOM 0 HA THR A 117 -11.913 12.110 -9.289 1.00 0.00 H new ATOM 0 HB THR A 117 -10.808 13.498 -11.131 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.352 11.880 -12.736 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.034 12.383 -12.435 1.00 0.00 H new ATOM 0 HG22 THR A 117 -8.498 12.755 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.955 11.091 -11.213 1.00 0.00 H new ATOM 1809 N VAL A 118 -11.072 9.699 -9.430 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.645 8.327 -9.186 1.00 0.00 C ATOM 1811 C VAL A 118 -11.415 7.347 -10.064 1.00 0.00 C ATOM 1812 O VAL A 118 -12.630 7.452 -10.237 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.835 7.933 -7.709 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -12.303 8.012 -7.319 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -10.280 6.541 -7.453 1.00 0.00 C ATOM 0 H VAL A 118 -12.021 9.787 -9.794 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.585 8.278 -9.434 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.282 8.639 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -12.417 7.730 -6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.663 9.031 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -12.882 7.332 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.423 6.279 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.803 5.820 -8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.216 6.524 -7.689 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.695 6.369 -10.632 1.00 0.00 N ATOM 1826 CA PRO A 119 -11.291 5.349 -11.502 1.00 0.00 C ATOM 1827 C PRO A 119 -12.181 4.380 -10.732 1.00 0.00 C ATOM 1828 O PRO A 119 -12.207 4.367 -9.501 1.00 0.00 O ATOM 1829 CB PRO A 119 -10.074 4.618 -12.075 1.00 0.00 C ATOM 1830 CG PRO A 119 -8.998 4.823 -11.066 1.00 0.00 C ATOM 1831 CD PRO A 119 -9.243 6.182 -10.470 1.00 0.00 C ATOM 0 HA PRO A 119 -11.939 5.787 -12.261 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -10.282 3.558 -12.222 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -9.789 5.024 -13.045 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.030 4.049 -10.299 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.013 4.772 -11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.947 6.220 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.678 6.956 -10.989 1.00 0.00 H new ATOM 1839 N PRO A 120 -12.929 3.546 -11.471 1.00 0.00 N ATOM 1840 CA PRO A 120 -13.833 2.558 -10.879 1.00 0.00 C ATOM 1841 C PRO A 120 -13.082 1.426 -10.187 1.00 0.00 C ATOM 1842 O PRO A 120 -12.351 0.671 -10.826 1.00 0.00 O ATOM 1843 CB PRO A 120 -14.613 2.024 -12.083 1.00 0.00 C ATOM 1844 CG PRO A 120 -13.711 2.248 -13.248 1.00 0.00 C ATOM 1845 CD PRO A 120 -12.947 3.507 -12.944 1.00 0.00 C ATOM 0 HA PRO A 120 -14.464 2.995 -10.105 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -14.851 0.967 -11.964 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -15.559 2.551 -12.207 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -13.034 1.405 -13.386 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -14.283 2.352 -14.170 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -11.939 3.476 -13.358 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -13.437 4.386 -13.364 1.00 0.00 H new ATOM 1853 N GLY A 121 -13.266 1.314 -8.875 1.00 0.00 N ATOM 1854 CA GLY A 121 -12.600 0.270 -8.118 1.00 0.00 C ATOM 1855 C GLY A 121 -11.850 0.815 -6.918 1.00 0.00 C ATOM 1856 O GLY A 121 -11.648 0.107 -5.932 1.00 0.00 O ATOM 0 H GLY A 121 -13.865 1.928 -8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.338 -0.458 -7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.904 -0.259 -8.769 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.436 2.074 -7.002 1.00 0.00 N ATOM 1861 CA ALA A 122 -10.705 2.712 -5.914 1.00 0.00 C ATOM 1862 C ALA A 122 -11.632 3.565 -5.056 1.00 0.00 C ATOM 1863 O ALA A 122 -12.606 4.131 -5.551 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.567 3.558 -6.467 1.00 0.00 C ATOM 0 H ALA A 122 -11.594 2.673 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.287 1.929 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.030 4.028 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.883 2.924 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.972 4.328 -7.123 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.322 3.652 -3.767 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.130 4.435 -2.838 1.00 0.00 C ATOM 1872 C ARG A 123 -11.286 5.507 -2.155 1.00 0.00 C ATOM 1873 O ARG A 123 -10.126 5.276 -1.816 1.00 0.00 O ATOM 1874 CB ARG A 123 -12.764 3.524 -1.787 1.00 0.00 C ATOM 1875 CG ARG A 123 -13.064 4.227 -0.472 1.00 0.00 C ATOM 1876 CD ARG A 123 -13.966 3.385 0.417 1.00 0.00 C ATOM 1877 NE ARG A 123 -14.792 4.209 1.295 1.00 0.00 N ATOM 1878 CZ ARG A 123 -15.664 3.711 2.163 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -15.824 2.398 2.270 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -16.380 4.525 2.929 1.00 0.00 N ATOM 0 H ARG A 123 -10.518 3.191 -3.342 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.920 4.926 -3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.690 3.111 -2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -12.096 2.684 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -12.131 4.438 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -13.541 5.186 -0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.608 2.761 -0.205 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.356 2.712 1.020 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.694 5.223 1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.276 1.768 1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.495 2.019 2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.261 5.535 2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.050 4.140 3.595 1.00 0.00 H new ATOM 1894 N TRP A 124 -11.878 6.681 -1.957 1.00 0.00 N ATOM 1895 CA TRP A 124 -11.180 7.789 -1.315 1.00 0.00 C ATOM 1896 C TRP A 124 -11.865 8.178 -0.009 1.00 0.00 C ATOM 1897 O TRP A 124 -12.909 8.831 -0.014 1.00 0.00 O ATOM 1898 CB TRP A 124 -11.122 8.994 -2.254 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.903 9.010 -3.126 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.781 8.471 -4.374 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.633 9.593 -2.813 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.512 8.683 -4.857 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.789 9.370 -3.917 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -8.128 10.284 -1.708 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.469 9.812 -3.947 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.818 10.722 -1.738 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -6.001 10.485 -2.851 1.00 0.00 C ATOM 0 H TRP A 124 -12.838 6.889 -2.232 1.00 0.00 H new ATOM 0 HA TRP A 124 -10.164 7.465 -1.089 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -12.011 8.997 -2.885 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -11.148 9.909 -1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.567 7.954 -4.904 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.165 8.379 -5.767 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.751 10.472 -0.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.837 9.630 -4.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -6.417 11.256 -0.889 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.981 10.841 -2.844 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.270 7.775 1.109 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.822 8.083 2.423 1.00 0.00 C ATOM 1920 C LEU A 125 -10.784 8.776 3.302 1.00 0.00 C ATOM 1921 O LEU A 125 -9.604 8.843 2.953 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.311 6.804 3.105 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.390 5.589 2.993 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -10.172 5.760 3.888 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -12.142 4.315 3.349 1.00 0.00 C ATOM 0 H LEU A 125 -10.405 7.234 1.131 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.665 8.760 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.470 7.018 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.281 6.540 2.684 1.00 0.00 H new ATOM 0 HG LEU A 125 -11.049 5.508 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.527 4.886 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.621 6.651 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.494 5.866 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.471 3.460 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.512 4.385 4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -12.982 4.186 2.667 1.00 0.00 H new ATOM 1937 N THR A 126 -11.230 9.289 4.444 1.00 0.00 N ATOM 1938 CA THR A 126 -10.341 9.975 5.372 1.00 0.00 C ATOM 1939 C THR A 126 -9.523 8.980 6.188 1.00 0.00 C ATOM 1940 O THR A 126 -9.870 7.802 6.274 1.00 0.00 O ATOM 1941 CB THR A 126 -11.128 10.885 6.334 1.00 0.00 C ATOM 1942 OG1 THR A 126 -11.839 10.090 7.289 1.00 0.00 O ATOM 1943 CG2 THR A 126 -12.106 11.765 5.570 1.00 0.00 C ATOM 0 H THR A 126 -12.202 9.242 4.748 1.00 0.00 H new ATOM 0 HA THR A 126 -9.669 10.587 4.771 1.00 0.00 H new ATOM 0 HB THR A 126 -10.417 11.527 6.854 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.335 10.676 7.898 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.650 12.398 6.271 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.558 12.391 4.865 1.00 0.00 H new ATOM 0 HG23 THR A 126 -12.812 11.137 5.026 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.438 9.461 6.784 1.00 0.00 N ATOM 1952 CA GLN A 127 -7.571 8.612 7.592 1.00 0.00 C ATOM 1953 C GLN A 127 -8.378 7.843 8.632 1.00 0.00 C ATOM 1954 O GLN A 127 -8.164 6.649 8.840 1.00 0.00 O ATOM 1955 CB GLN A 127 -6.497 9.454 8.283 1.00 0.00 C ATOM 1956 CG GLN A 127 -5.278 9.719 7.414 1.00 0.00 C ATOM 1957 CD GLN A 127 -4.174 10.442 8.161 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -4.400 11.006 9.231 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -2.971 10.427 7.598 1.00 0.00 N ATOM 0 H GLN A 127 -8.138 10.434 6.723 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.089 7.894 6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -6.932 10.407 8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.180 8.947 9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -4.895 8.772 7.034 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.575 10.312 6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -2.830 9.947 6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -2.188 10.896 8.054 1.00 0.00 H new ATOM 1968 N GLU A 128 -9.307 8.536 9.283 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.145 7.917 10.303 1.00 0.00 C ATOM 1970 C GLU A 128 -11.062 6.863 9.689 1.00 0.00 C ATOM 1971 O GLU A 128 -11.181 5.752 10.205 1.00 0.00 O ATOM 1972 CB GLU A 128 -10.981 8.979 11.022 1.00 0.00 C ATOM 1973 CG GLU A 128 -10.150 9.975 11.812 1.00 0.00 C ATOM 1974 CD GLU A 128 -9.349 9.318 12.920 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -9.968 8.839 13.894 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -8.105 9.284 12.814 1.00 0.00 O ATOM 0 H GLU A 128 -9.498 9.525 9.122 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.491 7.428 11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.578 9.519 10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.679 8.484 11.697 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -9.470 10.493 11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -10.807 10.730 12.243 1.00 0.00 H new ATOM 1983 N GLU A 129 -11.708 7.222 8.583 1.00 0.00 N ATOM 1984 CA GLU A 129 -12.615 6.308 7.899 1.00 0.00 C ATOM 1985 C GLU A 129 -11.946 4.958 7.656 1.00 0.00 C ATOM 1986 O GLU A 129 -12.539 3.906 7.893 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.074 6.910 6.569 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.262 7.848 6.704 1.00 0.00 C ATOM 1989 CD GLU A 129 -15.589 7.114 6.691 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -16.085 6.805 5.587 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -16.130 6.849 7.784 1.00 0.00 O ATOM 0 H GLU A 129 -11.620 8.138 8.143 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.484 6.153 8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.243 7.453 6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.335 6.102 5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -14.172 8.411 7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.243 8.572 5.889 1.00 0.00 H new ATOM 1998 N PHE A 130 -10.706 4.998 7.178 1.00 0.00 N ATOM 1999 CA PHE A 130 -9.955 3.779 6.899 1.00 0.00 C ATOM 2000 C PHE A 130 -9.980 2.838 8.100 1.00 0.00 C ATOM 2001 O PHE A 130 -10.351 1.670 7.982 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.510 4.117 6.532 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.567 2.955 6.668 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.549 1.947 5.718 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -6.702 2.870 7.747 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.684 0.876 5.840 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -5.834 1.802 7.874 1.00 0.00 C ATOM 2008 CZ PHE A 130 -5.826 0.803 6.920 1.00 0.00 C ATOM 0 H PHE A 130 -10.201 5.861 6.976 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.428 3.276 6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.480 4.480 5.505 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.164 4.932 7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -8.219 1.999 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -6.706 3.647 8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.679 0.097 5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.163 1.749 8.718 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.150 -0.034 7.018 1.00 0.00 H new ATOM 2018 N HIS A 131 -9.581 3.356 9.258 1.00 0.00 N ATOM 2019 CA HIS A 131 -9.557 2.564 10.482 1.00 0.00 C ATOM 2020 C HIS A 131 -10.813 1.705 10.598 1.00 0.00 C ATOM 2021 O HIS A 131 -10.732 0.489 10.781 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.436 3.476 11.704 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.020 3.754 12.105 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -7.160 2.776 12.561 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -7.313 4.909 12.115 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -5.987 3.317 12.835 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.053 4.610 12.574 1.00 0.00 N ATOM 0 H HIS A 131 -9.270 4.321 9.374 1.00 0.00 H new ATOM 0 HA HIS A 131 -8.689 1.906 10.442 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -9.938 4.421 11.493 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -9.959 3.017 12.543 1.00 0.00 H new ATOM 0 HD1 HIS A 131 -7.394 1.789 12.670 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -7.672 5.883 11.818 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.121 2.791 13.209 1.00 0.00 H new ATOM 2036 N THR A 132 -11.974 2.344 10.492 1.00 0.00 N ATOM 2037 CA THR A 132 -13.245 1.639 10.586 1.00 0.00 C ATOM 2038 C THR A 132 -13.486 0.772 9.356 1.00 0.00 C ATOM 2039 O THR A 132 -14.085 -0.301 9.448 1.00 0.00 O ATOM 2040 CB THR A 132 -14.422 2.620 10.747 1.00 0.00 C ATOM 2041 OG1 THR A 132 -14.423 3.563 9.669 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.332 3.360 12.072 1.00 0.00 C ATOM 0 H THR A 132 -12.059 3.349 10.341 1.00 0.00 H new ATOM 0 HA THR A 132 -13.188 1.003 11.470 1.00 0.00 H new ATOM 0 HB THR A 132 -15.349 2.047 10.731 1.00 0.00 H new ATOM 0 HG1 THR A 132 -13.613 3.445 9.130 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.174 4.047 12.163 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.359 2.642 12.892 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.399 3.922 12.112 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.016 1.242 8.206 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.179 0.507 6.956 1.00 0.00 C ATOM 2052 C ALA A 133 -12.682 -0.928 7.096 1.00 0.00 C ATOM 2053 O ALA A 133 -11.653 -1.181 7.721 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.444 1.216 5.828 1.00 0.00 C ATOM 0 H ALA A 133 -12.519 2.128 8.113 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.242 0.474 6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.574 0.657 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -12.848 2.221 5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.383 1.279 6.068 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.420 -1.864 6.508 1.00 0.00 N ATOM 2061 CA ALA A 134 -13.053 -3.274 6.565 1.00 0.00 C ATOM 2062 C ALA A 134 -11.631 -3.493 6.058 1.00 0.00 C ATOM 2063 O ALA A 134 -11.402 -3.608 4.854 1.00 0.00 O ATOM 2064 CB ALA A 134 -14.037 -4.109 5.759 1.00 0.00 C ATOM 0 H ALA A 134 -14.275 -1.671 5.987 1.00 0.00 H new ATOM 0 HA ALA A 134 -13.092 -3.592 7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.751 -5.159 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -15.040 -3.986 6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -14.027 -3.781 4.720 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.679 -3.547 6.984 1.00 0.00 N ATOM 2071 CA VAL A 135 -9.280 -3.751 6.630 1.00 0.00 C ATOM 2072 C VAL A 135 -8.643 -4.824 7.506 1.00 0.00 C ATOM 2073 O VAL A 135 -8.867 -4.867 8.715 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.471 -2.447 6.764 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -7.163 -2.550 5.993 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -9.291 -1.261 6.283 1.00 0.00 C ATOM 0 H VAL A 135 -10.851 -3.452 7.985 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.261 -4.076 5.590 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.234 -2.292 7.817 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.604 -1.620 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.572 -3.376 6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.375 -2.728 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.704 -0.348 6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.560 -1.405 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -10.198 -1.178 6.882 1.00 0.00 H new ATOM 2086 N SER A 136 -7.846 -5.690 6.887 1.00 0.00 N ATOM 2087 CA SER A 136 -7.179 -6.766 7.609 1.00 0.00 C ATOM 2088 C SER A 136 -6.174 -6.205 8.612 1.00 0.00 C ATOM 2089 O SER A 136 -5.697 -5.079 8.468 1.00 0.00 O ATOM 2090 CB SER A 136 -6.470 -7.704 6.630 1.00 0.00 C ATOM 2091 OG SER A 136 -5.179 -7.220 6.303 1.00 0.00 O ATOM 0 H SER A 136 -7.647 -5.667 5.887 1.00 0.00 H new ATOM 0 HA SER A 136 -7.937 -7.328 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 136 -6.388 -8.698 7.069 1.00 0.00 H new ATOM 0 HB3 SER A 136 -7.065 -7.804 5.722 1.00 0.00 H new ATOM 0 HG SER A 136 -4.747 -7.838 5.677 1.00 0.00 H new ATOM 2097 N THR A 137 -5.855 -7.000 9.629 1.00 0.00 N ATOM 2098 CA THR A 137 -4.909 -6.586 10.656 1.00 0.00 C ATOM 2099 C THR A 137 -3.629 -6.036 10.035 1.00 0.00 C ATOM 2100 O THR A 137 -3.247 -4.893 10.288 1.00 0.00 O ATOM 2101 CB THR A 137 -4.550 -7.753 11.594 1.00 0.00 C ATOM 2102 OG1 THR A 137 -5.741 -8.317 12.152 1.00 0.00 O ATOM 2103 CG2 THR A 137 -3.631 -7.285 12.713 1.00 0.00 C ATOM 0 H THR A 137 -6.239 -7.935 9.763 1.00 0.00 H new ATOM 0 HA THR A 137 -5.396 -5.801 11.235 1.00 0.00 H new ATOM 0 HB THR A 137 -4.028 -8.512 11.011 1.00 0.00 H new ATOM 0 HG1 THR A 137 -5.504 -9.060 12.746 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.391 -8.127 13.363 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.712 -6.883 12.285 1.00 0.00 H new ATOM 0 HG23 THR A 137 -4.130 -6.509 13.294 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.973 -6.855 9.220 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.737 -6.449 8.562 1.00 0.00 C ATOM 2113 C ALA A 138 -1.867 -5.050 7.968 1.00 0.00 C ATOM 2114 O ALA A 138 -1.256 -4.100 8.457 1.00 0.00 O ATOM 2115 CB ALA A 138 -1.363 -7.450 7.479 1.00 0.00 C ATOM 0 H ALA A 138 -3.277 -7.803 8.999 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.945 -6.427 9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -0.438 -7.135 6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -1.222 -8.434 7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -2.161 -7.500 6.738 1.00 0.00 H new ATOM 2121 N MET A 139 -2.663 -4.931 6.911 1.00 0.00 N ATOM 2122 CA MET A 139 -2.871 -3.648 6.252 1.00 0.00 C ATOM 2123 C MET A 139 -3.134 -2.548 7.275 1.00 0.00 C ATOM 2124 O MET A 139 -2.558 -1.463 7.198 1.00 0.00 O ATOM 2125 CB MET A 139 -4.041 -3.738 5.270 1.00 0.00 C ATOM 2126 CG MET A 139 -3.933 -4.903 4.300 1.00 0.00 C ATOM 2127 SD MET A 139 -2.315 -4.999 3.508 1.00 0.00 S ATOM 2128 CE MET A 139 -2.063 -3.287 3.046 1.00 0.00 C ATOM 0 H MET A 139 -3.175 -5.708 6.493 1.00 0.00 H new ATOM 0 HA MET A 139 -1.963 -3.399 5.702 1.00 0.00 H new ATOM 0 HB2 MET A 139 -4.970 -3.829 5.832 1.00 0.00 H new ATOM 0 HB3 MET A 139 -4.101 -2.809 4.703 1.00 0.00 H new ATOM 0 HG2 MET A 139 -4.128 -5.834 4.833 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.703 -4.806 3.535 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.480 -3.240 2.126 1.00 0.00 H new ATOM 0 HE2 MET A 139 -3.029 -2.807 2.888 1.00 0.00 H new ATOM 0 HE3 MET A 139 -1.527 -2.770 3.842 1.00 0.00 H new ATOM 2138 N LYS A 140 -4.010 -2.834 8.233 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.349 -1.870 9.273 1.00 0.00 C ATOM 2140 C LYS A 140 -3.102 -1.423 10.029 1.00 0.00 C ATOM 2141 O LYS A 140 -3.022 -0.288 10.499 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.360 -2.476 10.249 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.784 -2.493 9.719 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.777 -2.879 10.802 1.00 0.00 C ATOM 2145 CE LYS A 140 -9.187 -2.429 10.450 1.00 0.00 C ATOM 2146 NZ LYS A 140 -10.186 -2.912 11.443 1.00 0.00 N ATOM 0 H LYS A 140 -4.498 -3.726 8.310 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.794 -0.998 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -5.057 -3.496 10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.335 -1.912 11.181 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -7.038 -1.509 9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.856 -3.197 8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -7.763 -3.960 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.477 -2.431 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -9.220 -1.341 10.402 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -9.450 -2.800 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.134 -2.585 11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -10.173 -3.952 11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -9.949 -2.537 12.384 1.00 0.00 H new ATOM 2160 N LYS A 141 -2.130 -2.322 10.141 1.00 0.00 N ATOM 2161 CA LYS A 141 -0.885 -2.020 10.838 1.00 0.00 C ATOM 2162 C LYS A 141 -0.008 -1.090 10.005 1.00 0.00 C ATOM 2163 O LYS A 141 0.603 -0.160 10.531 1.00 0.00 O ATOM 2164 CB LYS A 141 -0.125 -3.311 11.150 1.00 0.00 C ATOM 2165 CG LYS A 141 -0.850 -4.222 12.124 1.00 0.00 C ATOM 2166 CD LYS A 141 -0.383 -5.662 11.994 1.00 0.00 C ATOM 2167 CE LYS A 141 0.766 -5.964 12.944 1.00 0.00 C ATOM 2168 NZ LYS A 141 0.333 -5.917 14.369 1.00 0.00 N ATOM 0 H LYS A 141 -2.180 -3.266 9.758 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.133 -1.517 11.773 1.00 0.00 H new ATOM 0 HB2 LYS A 141 0.051 -3.853 10.221 1.00 0.00 H new ATOM 0 HB3 LYS A 141 0.852 -3.057 11.561 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.681 -3.874 13.143 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.924 -4.169 11.943 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -1.215 -6.335 12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.068 -5.852 10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 141 1.173 -6.950 12.720 1.00 0.00 H new ATOM 0 HE3 LYS A 141 1.569 -5.244 12.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 0.965 -6.511 14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 0.373 -4.936 14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -0.642 -6.272 14.448 1.00 0.00 H new ATOM 2182 N VAL A 142 0.048 -1.346 8.701 1.00 0.00 N ATOM 2183 CA VAL A 142 0.848 -0.530 7.796 1.00 0.00 C ATOM 2184 C VAL A 142 0.490 0.946 7.925 1.00 0.00 C ATOM 2185 O VAL A 142 1.231 1.817 7.467 1.00 0.00 O ATOM 2186 CB VAL A 142 0.659 -0.968 6.331 1.00 0.00 C ATOM 2187 CG1 VAL A 142 1.335 0.016 5.389 1.00 0.00 C ATOM 2188 CG2 VAL A 142 1.196 -2.375 6.121 1.00 0.00 C ATOM 0 H VAL A 142 -0.451 -2.112 8.249 1.00 0.00 H new ATOM 0 HA VAL A 142 1.891 -0.673 8.078 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.408 -0.975 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.191 -0.309 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.898 1.006 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.401 0.058 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.054 -2.667 5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.259 -2.399 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.661 -3.069 6.769 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.648 1.221 8.552 1.00 0.00 N ATOM 2199 CA PHE A 143 -1.105 2.592 8.742 1.00 0.00 C ATOM 2200 C PHE A 143 -0.430 3.228 9.953 1.00 0.00 C ATOM 2201 O PHE A 143 0.406 4.122 9.814 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.625 2.626 8.914 1.00 0.00 C ATOM 2203 CG PHE A 143 -3.180 4.015 9.061 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -3.343 4.831 7.954 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.539 4.503 10.308 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -3.854 6.109 8.086 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -4.050 5.779 10.446 1.00 0.00 C ATOM 2208 CZ PHE A 143 -4.207 6.584 9.335 1.00 0.00 C ATOM 0 H PHE A 143 -1.271 0.512 8.938 1.00 0.00 H new ATOM 0 HA PHE A 143 -0.834 3.165 7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -3.091 2.146 8.053 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.897 2.040 9.792 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -3.068 4.465 6.976 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.418 3.879 11.181 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -3.977 6.735 7.215 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.327 6.147 11.423 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.605 7.582 9.442 1.00 0.00 H new ATOM 2218 N ARG A 144 -0.799 2.761 11.142 1.00 0.00 N ATOM 2219 CA ARG A 144 -0.231 3.285 12.378 1.00 0.00 C ATOM 2220 C ARG A 144 1.263 3.551 12.220 1.00 0.00 C ATOM 2221 O ARG A 144 1.817 4.445 12.861 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.466 2.303 13.528 1.00 0.00 C ATOM 2223 CG ARG A 144 0.502 1.132 13.536 1.00 0.00 C ATOM 2224 CD ARG A 144 -0.059 -0.049 14.312 1.00 0.00 C ATOM 2225 NE ARG A 144 0.154 0.089 15.750 1.00 0.00 N ATOM 2226 CZ ARG A 144 -0.391 -0.715 16.656 1.00 0.00 C ATOM 2227 NH1 ARG A 144 -1.179 -1.711 16.273 1.00 0.00 N ATOM 2228 NH2 ARG A 144 -0.149 -0.524 17.946 1.00 0.00 N ATOM 0 H ARG A 144 -1.488 2.021 11.275 1.00 0.00 H new ATOM 0 HA ARG A 144 -0.728 4.228 12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -0.384 2.838 14.474 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -1.485 1.921 13.466 1.00 0.00 H new ATOM 0 HG2 ARG A 144 0.715 0.827 12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 144 1.448 1.444 13.979 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -1.126 -0.140 14.111 1.00 0.00 H new ATOM 0 HD3 ARG A 144 0.411 -0.968 13.963 1.00 0.00 H new ATOM 0 HE ARG A 144 0.755 0.845 16.077 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -1.367 -1.860 15.282 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -1.597 -2.328 16.970 1.00 0.00 H new ATOM 0 HH21 ARG A 144 0.456 0.241 18.244 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -0.568 -1.142 18.641 1.00 0.00 H new ATOM 2242 N VAL A 145 1.911 2.769 11.362 1.00 0.00 N ATOM 2243 CA VAL A 145 3.341 2.920 11.119 1.00 0.00 C ATOM 2244 C VAL A 145 3.637 4.214 10.370 1.00 0.00 C ATOM 2245 O VAL A 145 4.581 4.932 10.698 1.00 0.00 O ATOM 2246 CB VAL A 145 3.902 1.733 10.314 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.379 1.942 10.015 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.681 0.429 11.064 1.00 0.00 C ATOM 0 H VAL A 145 1.468 2.024 10.824 1.00 0.00 H new ATOM 0 HA VAL A 145 3.827 2.949 12.094 1.00 0.00 H new ATOM 0 HB VAL A 145 3.368 1.675 9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.759 1.094 9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.507 2.855 9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 145 5.931 2.027 10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 145 4.084 -0.399 10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 145 4.187 0.473 12.028 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.613 0.276 11.222 1.00 0.00 H new ATOM 2258 N TYR A 146 2.823 4.507 9.361 1.00 0.00 N ATOM 2259 CA TYR A 146 2.998 5.714 8.563 1.00 0.00 C ATOM 2260 C TYR A 146 2.744 6.963 9.401 1.00 0.00 C ATOM 2261 O TYR A 146 3.520 7.918 9.361 1.00 0.00 O ATOM 2262 CB TYR A 146 2.057 5.695 7.358 1.00 0.00 C ATOM 2263 CG TYR A 146 1.633 7.071 6.898 1.00 0.00 C ATOM 2264 CD1 TYR A 146 2.479 7.860 6.128 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.385 7.584 7.236 1.00 0.00 C ATOM 2266 CE1 TYR A 146 2.095 9.119 5.708 1.00 0.00 C ATOM 2267 CE2 TYR A 146 -0.006 8.841 6.818 1.00 0.00 C ATOM 2268 CZ TYR A 146 0.852 9.604 6.054 1.00 0.00 C ATOM 2269 OH TYR A 146 0.465 10.857 5.638 1.00 0.00 O ATOM 0 H TYR A 146 2.035 3.924 9.077 1.00 0.00 H new ATOM 0 HA TYR A 146 4.029 5.739 8.210 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.548 5.181 6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.169 5.116 7.611 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.453 7.483 5.853 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.289 6.990 7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.765 9.720 5.112 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -0.979 9.224 7.088 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.439 11.046 5.966 1.00 0.00 H new ATOM 2279 N GLN A 147 1.654 6.946 10.160 1.00 0.00 N ATOM 2280 CA GLN A 147 1.296 8.078 11.008 1.00 0.00 C ATOM 2281 C GLN A 147 2.536 8.686 11.655 1.00 0.00 C ATOM 2282 O GLN A 147 2.795 9.881 11.522 1.00 0.00 O ATOM 2283 CB GLN A 147 0.306 7.640 12.088 1.00 0.00 C ATOM 2284 CG GLN A 147 -1.066 7.276 11.545 1.00 0.00 C ATOM 2285 CD GLN A 147 -2.161 7.415 12.583 1.00 0.00 C ATOM 2286 OE1 GLN A 147 -2.359 6.530 13.415 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -2.880 8.531 12.542 1.00 0.00 N ATOM 0 H GLN A 147 1.003 6.162 10.206 1.00 0.00 H new ATOM 0 HA GLN A 147 0.827 8.836 10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 147 0.717 6.781 12.619 1.00 0.00 H new ATOM 0 HB3 GLN A 147 0.198 8.443 12.817 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -1.296 7.915 10.692 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -1.047 6.250 11.178 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -2.682 9.239 11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -3.630 8.680 13.217 1.00 0.00 H new