USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=24 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 Set 1.1: A 99 LYS NZ :NH3+ 153:sc= -0.0889 (180deg=-0.998) USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 93 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-3.8!) USER MOD Set 2.2: A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 78:sc= 0.885 USER MOD Single : A 21 SER OG : rot 180:sc= -0.156 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 28 GLN : amide:sc= -0.726 K(o=-0.73,f=-0.088) USER MOD Single : A 35 GLN : amide:sc= 0.00224 X(o=0.0022,f=0) 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= -0.0599 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc=-0.000308 X(o=-0.00031,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.86 X(o=-2.9,f=-2.9) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.9) USER MOD Single : A 74 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.85) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.314 K(o=0.31,f=-2.3!) USER MOD Single : A 87 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-3.1!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-3.2!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 105 TYR OH : rot 130:sc= 0 USER MOD Single : A 116 THR OG1 : rot 68:sc= 0.598 USER MOD Single : A 117 THR OG1 : rot -17:sc= 0.747 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.0784 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 131 HIS : no HD1:sc= -0.565 K(o=-0.56,f=-0.024) USER MOD Single : A 132 THR OG1 : rot -29:sc= 1.16 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 MET CE :methyl -156:sc= -1.24 (180deg=-2.45) USER MOD Single : A 140 LYS NZ :NH3+ -152:sc= -0.152 (180deg=-1.08) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -3.65! C(o=-3.6!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 1.626 -19.639 -0.713 1.00 0.00 N ATOM 208 CA PRO A 16 1.383 -18.397 0.026 1.00 0.00 C ATOM 209 C PRO A 16 2.450 -18.133 1.083 1.00 0.00 C ATOM 210 O PRO A 16 2.703 -16.986 1.451 1.00 0.00 O ATOM 211 CB PRO A 16 0.024 -18.638 0.688 1.00 0.00 C ATOM 212 CG PRO A 16 -0.084 -20.120 0.804 1.00 0.00 C ATOM 213 CD PRO A 16 0.638 -20.681 -0.390 1.00 0.00 C ATOM 0 HA PRO A 16 1.406 -17.524 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.030 -18.159 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.787 -18.228 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.364 -20.473 1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.127 -20.436 0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.118 -21.632 -0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.042 -20.861 -1.222 1.00 0.00 H new ATOM 221 N ARG A 17 3.073 -19.203 1.568 1.00 0.00 N ATOM 222 CA ARG A 17 4.113 -19.087 2.583 1.00 0.00 C ATOM 223 C ARG A 17 4.910 -17.799 2.399 1.00 0.00 C ATOM 224 O ARG A 17 4.755 -16.847 3.163 1.00 0.00 O ATOM 225 CB ARG A 17 5.051 -20.293 2.524 1.00 0.00 C ATOM 226 CG ARG A 17 4.355 -21.619 2.787 1.00 0.00 C ATOM 227 CD ARG A 17 5.310 -22.639 3.386 1.00 0.00 C ATOM 228 NE ARG A 17 5.818 -22.215 4.689 1.00 0.00 N ATOM 229 CZ ARG A 17 6.327 -23.051 5.587 1.00 0.00 C ATOM 230 NH1 ARG A 17 6.397 -24.349 5.325 1.00 0.00 N ATOM 231 NH2 ARG A 17 6.769 -22.588 6.749 1.00 0.00 N ATOM 0 H ARG A 17 2.875 -20.160 1.274 1.00 0.00 H new ATOM 0 HA ARG A 17 3.631 -19.059 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.523 -20.328 1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.848 -20.159 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.516 -21.463 3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.944 -22.007 1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.799 -23.596 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.146 -22.796 2.705 1.00 0.00 H new ATOM 0 HE ARG A 17 5.780 -21.223 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.059 -24.708 4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.788 -24.988 6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.718 -21.590 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.160 -23.230 7.438 1.00 0.00 H new ATOM 245 N GLU A 18 5.765 -17.778 1.381 1.00 0.00 N ATOM 246 CA GLU A 18 6.588 -16.608 1.099 1.00 0.00 C ATOM 247 C GLU A 18 5.830 -15.606 0.234 1.00 0.00 C ATOM 248 O GLU A 18 5.434 -15.916 -0.890 1.00 0.00 O ATOM 249 CB GLU A 18 7.884 -17.025 0.400 1.00 0.00 C ATOM 250 CG GLU A 18 8.356 -16.032 -0.649 1.00 0.00 C ATOM 251 CD GLU A 18 8.848 -14.732 -0.042 1.00 0.00 C ATOM 252 OE1 GLU A 18 9.388 -14.769 1.083 1.00 0.00 O ATOM 253 OE2 GLU A 18 8.692 -13.678 -0.693 1.00 0.00 O ATOM 0 H GLU A 18 5.906 -18.558 0.738 1.00 0.00 H new ATOM 0 HA GLU A 18 6.833 -16.130 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.667 -17.150 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.736 -17.996 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.158 -16.482 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.538 -15.820 -1.338 1.00 0.00 H new ATOM 260 N GLU A 19 5.631 -14.403 0.765 1.00 0.00 N ATOM 261 CA GLU A 19 4.920 -13.357 0.042 1.00 0.00 C ATOM 262 C GLU A 19 5.431 -11.976 0.440 1.00 0.00 C ATOM 263 O GLU A 19 5.242 -11.535 1.574 1.00 0.00 O ATOM 264 CB GLU A 19 3.417 -13.453 0.310 1.00 0.00 C ATOM 265 CG GLU A 19 2.684 -14.375 -0.650 1.00 0.00 C ATOM 266 CD GLU A 19 2.376 -13.709 -1.978 1.00 0.00 C ATOM 267 OE1 GLU A 19 1.433 -12.893 -2.027 1.00 0.00 O ATOM 268 OE2 GLU A 19 3.078 -14.007 -2.967 1.00 0.00 O ATOM 0 H GLU A 19 5.953 -14.130 1.694 1.00 0.00 H new ATOM 0 HA GLU A 19 5.102 -13.499 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.260 -13.805 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.981 -12.456 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.288 -15.265 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.753 -14.707 -0.190 1.00 0.00 H new ATOM 275 N SER A 20 6.082 -11.299 -0.501 1.00 0.00 N ATOM 276 CA SER A 20 6.626 -9.969 -0.247 1.00 0.00 C ATOM 277 C SER A 20 5.936 -8.925 -1.121 1.00 0.00 C ATOM 278 O SER A 20 5.698 -9.151 -2.306 1.00 0.00 O ATOM 279 CB SER A 20 8.134 -9.954 -0.508 1.00 0.00 C ATOM 280 OG SER A 20 8.784 -10.994 0.200 1.00 0.00 O ATOM 0 H SER A 20 6.246 -11.649 -1.445 1.00 0.00 H new ATOM 0 HA SER A 20 6.443 -9.721 0.799 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.323 -10.064 -1.576 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.549 -8.991 -0.208 1.00 0.00 H new ATOM 0 HG SER A 20 8.650 -11.843 -0.270 1.00 0.00 H new ATOM 286 N SER A 21 5.618 -7.781 -0.523 1.00 0.00 N ATOM 287 CA SER A 21 4.952 -6.702 -1.244 1.00 0.00 C ATOM 288 C SER A 21 5.252 -5.352 -0.600 1.00 0.00 C ATOM 289 O SER A 21 5.566 -5.275 0.588 1.00 0.00 O ATOM 290 CB SER A 21 3.441 -6.939 -1.278 1.00 0.00 C ATOM 291 OG SER A 21 3.136 -8.205 -1.838 1.00 0.00 O ATOM 0 H SER A 21 5.811 -7.577 0.458 1.00 0.00 H new ATOM 0 HA SER A 21 5.334 -6.691 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.037 -6.878 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.960 -6.154 -1.861 1.00 0.00 H new ATOM 0 HG SER A 21 2.164 -8.333 -1.847 1.00 0.00 H new ATOM 297 N ALA A 22 5.153 -4.290 -1.392 1.00 0.00 N ATOM 298 CA ALA A 22 5.412 -2.943 -0.900 1.00 0.00 C ATOM 299 C ALA A 22 4.165 -2.070 -1.009 1.00 0.00 C ATOM 300 O ALA A 22 3.717 -1.742 -2.108 1.00 0.00 O ATOM 301 CB ALA A 22 6.567 -2.314 -1.665 1.00 0.00 C ATOM 0 H ALA A 22 4.895 -4.337 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 22 5.684 -3.014 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.749 -1.308 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.464 -2.919 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.317 -2.263 -2.725 1.00 0.00 H new ATOM 307 N THR A 23 3.608 -1.697 0.140 1.00 0.00 N ATOM 308 CA THR A 23 2.413 -0.864 0.173 1.00 0.00 C ATOM 309 C THR A 23 2.756 0.576 0.540 1.00 0.00 C ATOM 310 O THR A 23 3.619 0.823 1.383 1.00 0.00 O ATOM 311 CB THR A 23 1.379 -1.406 1.179 1.00 0.00 C ATOM 312 OG1 THR A 23 0.338 -0.444 1.377 1.00 0.00 O ATOM 313 CG2 THR A 23 2.038 -1.728 2.512 1.00 0.00 C ATOM 0 H THR A 23 3.966 -1.959 1.059 1.00 0.00 H new ATOM 0 HA THR A 23 1.983 -0.888 -0.828 1.00 0.00 H new ATOM 0 HB THR A 23 0.954 -2.323 0.771 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.316 -0.797 2.016 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.289 -2.109 3.206 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.811 -2.482 2.363 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.487 -0.824 2.924 1.00 0.00 H new ATOM 321 N CYS A 24 2.075 1.521 -0.097 1.00 0.00 N ATOM 322 CA CYS A 24 2.308 2.938 0.162 1.00 0.00 C ATOM 323 C CYS A 24 1.007 3.643 0.533 1.00 0.00 C ATOM 324 O CYS A 24 -0.083 3.163 0.223 1.00 0.00 O ATOM 325 CB CYS A 24 2.933 3.606 -1.064 1.00 0.00 C ATOM 326 SG CYS A 24 3.015 5.409 -0.960 1.00 0.00 S ATOM 0 H CYS A 24 1.357 1.333 -0.797 1.00 0.00 H new ATOM 0 HA CYS A 24 2.998 3.021 1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.941 3.215 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.358 3.329 -1.948 1.00 0.00 H new ATOM 0 HG CYS A 24 3.560 5.882 -2.041 1.00 0.00 H new ATOM 332 N VAL A 25 1.131 4.786 1.203 1.00 0.00 N ATOM 333 CA VAL A 25 -0.034 5.558 1.617 1.00 0.00 C ATOM 334 C VAL A 25 -0.101 6.891 0.881 1.00 0.00 C ATOM 335 O VAL A 25 0.847 7.678 0.911 1.00 0.00 O ATOM 336 CB VAL A 25 -0.021 5.823 3.134 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.174 6.734 3.528 1.00 0.00 C ATOM 338 CG2 VAL A 25 -0.080 4.511 3.903 1.00 0.00 C ATOM 0 H VAL A 25 2.026 5.196 1.470 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.912 4.963 1.366 1.00 0.00 H new ATOM 0 HB VAL A 25 0.911 6.327 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.148 6.910 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.082 7.685 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.119 6.261 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.070 4.716 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.995 3.978 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.783 3.898 3.643 1.00 0.00 H new ATOM 348 N LEU A 26 -1.226 7.140 0.220 1.00 0.00 N ATOM 349 CA LEU A 26 -1.417 8.380 -0.526 1.00 0.00 C ATOM 350 C LEU A 26 -2.439 9.277 0.165 1.00 0.00 C ATOM 351 O LEU A 26 -3.599 8.901 0.327 1.00 0.00 O ATOM 352 CB LEU A 26 -1.872 8.074 -1.953 1.00 0.00 C ATOM 353 CG LEU A 26 -2.514 9.233 -2.716 1.00 0.00 C ATOM 354 CD1 LEU A 26 -1.563 10.418 -2.788 1.00 0.00 C ATOM 355 CD2 LEU A 26 -2.925 8.791 -4.113 1.00 0.00 C ATOM 0 H LEU A 26 -2.020 6.500 0.185 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.463 8.906 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.010 7.725 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.585 7.250 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.409 9.544 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.038 11.233 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.320 10.751 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.649 10.120 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.380 9.629 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.046 8.452 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.644 7.975 -4.040 1.00 0.00 H new ATOM 367 N GLU A 27 -1.999 10.466 0.566 1.00 0.00 N ATOM 368 CA GLU A 27 -2.878 11.418 1.238 1.00 0.00 C ATOM 369 C GLU A 27 -2.849 12.772 0.536 1.00 0.00 C ATOM 370 O GLU A 27 -1.826 13.174 -0.017 1.00 0.00 O ATOM 371 CB GLU A 27 -2.464 11.581 2.702 1.00 0.00 C ATOM 372 CG GLU A 27 -3.349 12.539 3.481 1.00 0.00 C ATOM 373 CD GLU A 27 -2.742 12.946 4.809 1.00 0.00 C ATOM 374 OE1 GLU A 27 -2.243 12.057 5.531 1.00 0.00 O ATOM 375 OE2 GLU A 27 -2.764 14.153 5.127 1.00 0.00 O ATOM 0 H GLU A 27 -1.041 10.793 0.438 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.895 11.028 1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.484 10.605 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.434 11.936 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.530 13.430 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.318 12.071 3.657 1.00 0.00 H new ATOM 382 N GLN A 28 -3.980 13.470 0.563 1.00 0.00 N ATOM 383 CA GLN A 28 -4.085 14.779 -0.071 1.00 0.00 C ATOM 384 C GLN A 28 -4.875 15.745 0.804 1.00 0.00 C ATOM 385 O GLN A 28 -5.771 15.354 1.553 1.00 0.00 O ATOM 386 CB GLN A 28 -4.752 14.652 -1.442 1.00 0.00 C ATOM 387 CG GLN A 28 -6.241 14.356 -1.370 1.00 0.00 C ATOM 388 CD GLN A 28 -7.004 14.908 -2.556 1.00 0.00 C ATOM 389 OE1 GLN A 28 -7.469 16.049 -2.535 1.00 0.00 O ATOM 390 NE2 GLN A 28 -7.139 14.101 -3.602 1.00 0.00 N ATOM 0 H GLN A 28 -4.836 13.151 1.017 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.078 15.175 -0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.601 15.578 -1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.259 13.859 -2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.391 13.278 -1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.648 14.780 -0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.738 13.163 -3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.643 14.419 -4.430 1.00 0.00 H new ATOM 399 N PRO A 29 -4.537 17.040 0.710 1.00 0.00 N ATOM 400 CA PRO A 29 -5.203 18.090 1.487 1.00 0.00 C ATOM 401 C PRO A 29 -6.637 18.330 1.027 1.00 0.00 C ATOM 402 O PRO A 29 -6.876 18.735 -0.111 1.00 0.00 O ATOM 403 CB PRO A 29 -4.342 19.328 1.221 1.00 0.00 C ATOM 404 CG PRO A 29 -3.698 19.065 -0.097 1.00 0.00 C ATOM 405 CD PRO A 29 -3.480 17.578 -0.161 1.00 0.00 C ATOM 0 HA PRO A 29 -5.283 17.828 2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.948 20.233 1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.597 19.468 2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.333 19.402 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.754 19.602 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.570 17.202 -1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.487 17.302 0.194 1.00 0.00 H new ATOM 413 N GLY A 30 -7.591 18.078 1.920 1.00 0.00 N ATOM 414 CA GLY A 30 -8.989 18.273 1.586 1.00 0.00 C ATOM 415 C GLY A 30 -9.580 19.496 2.258 1.00 0.00 C ATOM 416 O GLY A 30 -8.852 20.390 2.687 1.00 0.00 O ATOM 0 H GLY A 30 -7.420 17.743 2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.091 18.371 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.556 17.390 1.881 1.00 0.00 H new ATOM 420 N ALA A 31 -10.906 19.537 2.348 1.00 0.00 N ATOM 421 CA ALA A 31 -11.595 20.660 2.973 1.00 0.00 C ATOM 422 C ALA A 31 -11.589 20.530 4.492 1.00 0.00 C ATOM 423 O ALA A 31 -11.032 21.374 5.195 1.00 0.00 O ATOM 424 CB ALA A 31 -13.022 20.757 2.455 1.00 0.00 C ATOM 0 H ALA A 31 -11.524 18.806 1.996 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.062 21.574 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.525 21.599 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.008 20.904 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.557 19.837 2.688 1.00 0.00 H new ATOM 430 N LEU A 32 -12.213 19.470 4.994 1.00 0.00 N ATOM 431 CA LEU A 32 -12.282 19.230 6.430 1.00 0.00 C ATOM 432 C LEU A 32 -10.885 19.055 7.020 1.00 0.00 C ATOM 433 O LEU A 32 -10.561 19.634 8.056 1.00 0.00 O ATOM 434 CB LEU A 32 -13.129 17.990 6.721 1.00 0.00 C ATOM 435 CG LEU A 32 -14.526 17.971 6.100 1.00 0.00 C ATOM 436 CD1 LEU A 32 -15.158 16.596 6.247 1.00 0.00 C ATOM 437 CD2 LEU A 32 -15.407 19.036 6.737 1.00 0.00 C ATOM 0 H LEU A 32 -12.679 18.762 4.426 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.748 20.098 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.585 17.113 6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.232 17.890 7.802 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.433 18.193 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.152 16.603 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.538 15.855 5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.238 16.344 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.398 19.008 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.493 18.845 7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.963 20.019 6.578 1.00 0.00 H new ATOM 449 N GLY A 33 -10.061 18.255 6.350 1.00 0.00 N ATOM 450 CA GLY A 33 -8.709 18.020 6.821 1.00 0.00 C ATOM 451 C GLY A 33 -7.851 17.312 5.792 1.00 0.00 C ATOM 452 O GLY A 33 -7.131 17.954 5.028 1.00 0.00 O ATOM 0 H GLY A 33 -10.306 17.766 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.247 18.973 7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.744 17.424 7.733 1.00 0.00 H new ATOM 456 N ALA A 34 -7.926 15.986 5.772 1.00 0.00 N ATOM 457 CA ALA A 34 -7.150 15.191 4.829 1.00 0.00 C ATOM 458 C ALA A 34 -7.793 13.826 4.601 1.00 0.00 C ATOM 459 O ALA A 34 -8.542 13.335 5.445 1.00 0.00 O ATOM 460 CB ALA A 34 -5.722 15.027 5.326 1.00 0.00 C ATOM 0 H ALA A 34 -8.517 15.439 6.399 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.133 15.719 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.154 14.431 4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.258 16.008 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.729 14.524 6.293 1.00 0.00 H new ATOM 466 N GLN A 35 -7.497 13.221 3.455 1.00 0.00 N ATOM 467 CA GLN A 35 -8.048 11.915 3.117 1.00 0.00 C ATOM 468 C GLN A 35 -6.992 11.031 2.462 1.00 0.00 C ATOM 469 O GLN A 35 -6.048 11.528 1.848 1.00 0.00 O ATOM 470 CB GLN A 35 -9.249 12.071 2.183 1.00 0.00 C ATOM 471 CG GLN A 35 -10.562 12.300 2.914 1.00 0.00 C ATOM 472 CD GLN A 35 -11.583 13.033 2.065 1.00 0.00 C ATOM 473 OE1 GLN A 35 -11.816 14.228 2.248 1.00 0.00 O ATOM 474 NE2 GLN A 35 -12.198 12.319 1.129 1.00 0.00 N ATOM 0 H GLN A 35 -6.879 13.615 2.746 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.374 11.437 4.041 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.068 12.908 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.337 11.177 1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.974 11.339 3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.373 12.872 3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.974 11.331 1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.894 12.759 0.527 1.00 0.00 H new ATOM 483 N ILE A 36 -7.156 9.720 2.599 1.00 0.00 N ATOM 484 CA ILE A 36 -6.217 8.767 2.021 1.00 0.00 C ATOM 485 C ILE A 36 -6.865 7.973 0.892 1.00 0.00 C ATOM 486 O ILE A 36 -8.069 8.080 0.654 1.00 0.00 O ATOM 487 CB ILE A 36 -5.684 7.787 3.082 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.759 7.506 4.134 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.428 8.345 3.735 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.349 6.467 5.154 1.00 0.00 C ATOM 0 H ILE A 36 -7.931 9.293 3.106 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.384 9.347 1.623 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.428 6.848 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.002 8.435 4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.668 7.173 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.063 7.641 4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.661 8.498 2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.659 9.296 4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.159 6.319 5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.134 5.526 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.458 6.807 5.682 1.00 0.00 H new ATOM 502 N LEU A 37 -6.059 7.176 0.198 1.00 0.00 N ATOM 503 CA LEU A 37 -6.554 6.362 -0.906 1.00 0.00 C ATOM 504 C LEU A 37 -6.687 4.901 -0.488 1.00 0.00 C ATOM 505 O LEU A 37 -5.787 4.338 0.136 1.00 0.00 O ATOM 506 CB LEU A 37 -5.617 6.476 -2.110 1.00 0.00 C ATOM 507 CG LEU A 37 -5.796 5.421 -3.202 1.00 0.00 C ATOM 508 CD1 LEU A 37 -6.975 5.773 -4.096 1.00 0.00 C ATOM 509 CD2 LEU A 37 -4.522 5.284 -4.024 1.00 0.00 C ATOM 0 H LEU A 37 -5.060 7.077 0.381 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.540 6.733 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.752 7.460 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.589 6.428 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.002 4.463 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.087 5.011 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.885 5.820 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.800 6.741 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.667 4.529 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.286 6.240 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.700 4.985 -3.374 1.00 0.00 H new ATOM 521 N LEU A 38 -7.815 4.292 -0.837 1.00 0.00 N ATOM 522 CA LEU A 38 -8.065 2.895 -0.501 1.00 0.00 C ATOM 523 C LEU A 38 -8.631 2.138 -1.699 1.00 0.00 C ATOM 524 O LEU A 38 -9.655 2.524 -2.262 1.00 0.00 O ATOM 525 CB LEU A 38 -9.034 2.800 0.680 1.00 0.00 C ATOM 526 CG LEU A 38 -8.866 1.583 1.591 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.437 1.493 2.103 1.00 0.00 C ATOM 528 CD2 LEU A 38 -9.848 1.645 2.751 1.00 0.00 C ATOM 0 H LEU A 38 -8.571 4.744 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.115 2.439 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.926 3.700 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.052 2.799 0.290 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.079 0.686 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.336 0.621 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.753 1.400 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.196 2.393 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.714 0.771 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.668 2.549 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.867 1.659 2.365 1.00 0.00 H new ATOM 540 N VAL A 39 -7.957 1.058 -2.081 1.00 0.00 N ATOM 541 CA VAL A 39 -8.395 0.245 -3.209 1.00 0.00 C ATOM 542 C VAL A 39 -8.993 -1.075 -2.738 1.00 0.00 C ATOM 543 O VAL A 39 -8.713 -1.533 -1.630 1.00 0.00 O ATOM 544 CB VAL A 39 -7.229 -0.048 -4.174 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.761 1.231 -4.850 1.00 0.00 C ATOM 546 CG2 VAL A 39 -6.083 -0.721 -3.435 1.00 0.00 C ATOM 0 H VAL A 39 -7.106 0.726 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.159 0.818 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.582 -0.730 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.938 1.004 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.585 1.667 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.424 1.940 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.268 -0.921 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.728 -0.066 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.430 -1.660 -3.004 1.00 0.00 H new ATOM 556 N GLN A 40 -9.818 -1.681 -3.585 1.00 0.00 N ATOM 557 CA GLN A 40 -10.456 -2.950 -3.253 1.00 0.00 C ATOM 558 C GLN A 40 -9.803 -4.102 -4.009 1.00 0.00 C ATOM 559 O GLN A 40 -9.342 -3.935 -5.139 1.00 0.00 O ATOM 560 CB GLN A 40 -11.950 -2.893 -3.578 1.00 0.00 C ATOM 561 CG GLN A 40 -12.623 -4.257 -3.587 1.00 0.00 C ATOM 562 CD GLN A 40 -14.004 -4.221 -4.212 1.00 0.00 C ATOM 563 OE1 GLN A 40 -14.185 -4.602 -5.369 1.00 0.00 O ATOM 564 NE2 GLN A 40 -14.988 -3.765 -3.446 1.00 0.00 N ATOM 0 H GLN A 40 -10.061 -1.315 -4.506 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.329 -3.123 -2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.448 -2.256 -2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.084 -2.425 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.998 -4.963 -4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.700 -4.627 -2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.792 -3.460 -2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.939 -3.720 -3.811 1.00 0.00 H new ATOM 573 N ARG A 41 -9.767 -5.271 -3.379 1.00 0.00 N ATOM 574 CA ARG A 41 -9.168 -6.452 -3.992 1.00 0.00 C ATOM 575 C ARG A 41 -10.179 -7.178 -4.874 1.00 0.00 C ATOM 576 O ARG A 41 -11.391 -7.086 -4.677 1.00 0.00 O ATOM 577 CB ARG A 41 -8.641 -7.400 -2.914 1.00 0.00 C ATOM 578 CG ARG A 41 -7.207 -7.112 -2.497 1.00 0.00 C ATOM 579 CD ARG A 41 -6.798 -7.952 -1.297 1.00 0.00 C ATOM 580 NE ARG A 41 -6.471 -9.324 -1.677 1.00 0.00 N ATOM 581 CZ ARG A 41 -6.476 -10.344 -0.824 1.00 0.00 C ATOM 582 NH1 ARG A 41 -6.791 -10.146 0.448 1.00 0.00 N ATOM 583 NH2 ARG A 41 -6.167 -11.563 -1.244 1.00 0.00 N ATOM 0 H ARG A 41 -10.145 -5.427 -2.445 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.336 -6.125 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.286 -7.334 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.705 -8.425 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.536 -7.316 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.102 -6.054 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.936 -7.495 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.608 -7.961 -0.567 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.226 -9.510 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.030 -9.210 0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.794 -10.930 1.101 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.925 -11.719 -2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.171 -12.345 -0.589 1.00 0.00 H new ATOM 698 N LEU A 50 -12.135 -7.105 -0.271 1.00 0.00 N ATOM 699 CA LEU A 50 -11.917 -6.213 0.862 1.00 0.00 C ATOM 700 C LEU A 50 -11.284 -4.901 0.410 1.00 0.00 C ATOM 701 O LEU A 50 -10.983 -4.721 -0.770 1.00 0.00 O ATOM 702 CB LEU A 50 -11.026 -6.890 1.906 1.00 0.00 C ATOM 703 CG LEU A 50 -11.734 -7.818 2.893 1.00 0.00 C ATOM 704 CD1 LEU A 50 -12.776 -7.052 3.692 1.00 0.00 C ATOM 705 CD2 LEU A 50 -12.376 -8.987 2.160 1.00 0.00 C ATOM 0 HA LEU A 50 -12.886 -5.991 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.261 -7.464 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.511 -6.114 2.473 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.992 -8.213 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.270 -7.729 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.291 -6.249 4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.516 -6.628 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.875 -9.637 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.106 -8.610 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.607 -9.552 1.633 1.00 0.00 H new ATOM 717 N TRP A 51 -11.082 -3.991 1.356 1.00 0.00 N ATOM 718 CA TRP A 51 -10.482 -2.697 1.055 1.00 0.00 C ATOM 719 C TRP A 51 -9.130 -2.550 1.744 1.00 0.00 C ATOM 720 O TRP A 51 -9.025 -2.698 2.960 1.00 0.00 O ATOM 721 CB TRP A 51 -11.415 -1.565 1.489 1.00 0.00 C ATOM 722 CG TRP A 51 -12.739 -1.583 0.786 1.00 0.00 C ATOM 723 CD1 TRP A 51 -13.838 -2.319 1.128 1.00 0.00 C ATOM 724 CD2 TRP A 51 -13.101 -0.835 -0.380 1.00 0.00 C ATOM 725 NE1 TRP A 51 -14.861 -2.073 0.245 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.435 -1.165 -0.688 1.00 0.00 C ATOM 727 CE3 TRP A 51 -12.429 0.084 -1.190 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -15.107 -0.609 -1.773 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -13.097 0.634 -2.267 1.00 0.00 C ATOM 730 CH2 TRP A 51 -14.425 0.287 -2.552 1.00 0.00 C ATOM 0 H TRP A 51 -11.325 -4.125 2.337 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.328 -2.638 -0.022 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.582 -1.633 2.564 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.926 -0.609 1.302 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -13.894 -2.995 1.969 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -15.788 -2.498 0.279 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -11.406 0.359 -0.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -16.130 -0.875 -1.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -12.587 1.344 -2.901 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -14.919 0.735 -3.402 1.00 0.00 H new ATOM 741 N GLU A 52 -8.098 -2.257 0.958 1.00 0.00 N ATOM 742 CA GLU A 52 -6.752 -2.091 1.494 1.00 0.00 C ATOM 743 C GLU A 52 -5.920 -1.175 0.602 1.00 0.00 C ATOM 744 O GLU A 52 -6.198 -1.029 -0.588 1.00 0.00 O ATOM 745 CB GLU A 52 -6.063 -3.450 1.633 1.00 0.00 C ATOM 746 CG GLU A 52 -6.484 -4.457 0.575 1.00 0.00 C ATOM 747 CD GLU A 52 -7.817 -5.110 0.888 1.00 0.00 C ATOM 748 OE1 GLU A 52 -8.031 -5.486 2.060 1.00 0.00 O ATOM 749 OE2 GLU A 52 -8.644 -5.244 -0.037 1.00 0.00 O ATOM 0 H GLU A 52 -8.169 -2.130 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.835 -1.632 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.984 -3.308 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.281 -3.859 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.546 -3.958 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.718 -5.227 0.487 1.00 0.00 H new ATOM 756 N PHE A 53 -4.899 -0.558 1.187 1.00 0.00 N ATOM 757 CA PHE A 53 -4.026 0.345 0.447 1.00 0.00 C ATOM 758 C PHE A 53 -3.373 -0.372 -0.731 1.00 0.00 C ATOM 759 O PHE A 53 -3.076 -1.566 -0.676 1.00 0.00 O ATOM 760 CB PHE A 53 -2.949 0.918 1.370 1.00 0.00 C ATOM 761 CG PHE A 53 -3.503 1.587 2.596 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.485 2.559 2.487 1.00 0.00 C ATOM 763 CD2 PHE A 53 -3.043 1.242 3.856 1.00 0.00 C ATOM 764 CE1 PHE A 53 -4.997 3.175 3.613 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.553 1.854 4.985 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.529 2.823 4.865 1.00 0.00 C ATOM 0 H PHE A 53 -4.656 -0.667 2.172 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.635 1.162 0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.279 0.114 1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.350 1.638 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.854 2.838 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.278 0.487 3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.762 3.931 3.515 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.188 1.574 5.962 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.926 3.304 5.747 1.00 0.00 H new ATOM 776 N PRO A 54 -3.144 0.371 -1.823 1.00 0.00 N ATOM 777 CA PRO A 54 -2.524 -0.172 -3.035 1.00 0.00 C ATOM 778 C PRO A 54 -1.049 -0.506 -2.833 1.00 0.00 C ATOM 779 O PRO A 54 -0.319 0.239 -2.180 1.00 0.00 O ATOM 780 CB PRO A 54 -2.681 0.960 -4.053 1.00 0.00 C ATOM 781 CG PRO A 54 -2.773 2.199 -3.230 1.00 0.00 C ATOM 782 CD PRO A 54 -3.471 1.801 -1.959 1.00 0.00 C ATOM 0 HA PRO A 54 -2.988 -1.109 -3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.832 1.000 -4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.574 0.823 -4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.782 2.603 -3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.330 2.975 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.113 2.378 -1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.547 1.963 -2.024 1.00 0.00 H new ATOM 790 N SER A 55 -0.618 -1.629 -3.398 1.00 0.00 N ATOM 791 CA SER A 55 0.769 -2.062 -3.277 1.00 0.00 C ATOM 792 C SER A 55 1.228 -2.778 -4.543 1.00 0.00 C ATOM 793 O SER A 55 0.412 -3.170 -5.379 1.00 0.00 O ATOM 794 CB SER A 55 0.932 -2.986 -2.068 1.00 0.00 C ATOM 795 OG SER A 55 0.266 -4.219 -2.274 1.00 0.00 O ATOM 0 H SER A 55 -1.209 -2.256 -3.944 1.00 0.00 H new ATOM 0 HA SER A 55 1.389 -1.177 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.991 -3.168 -1.886 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.534 -2.499 -1.178 1.00 0.00 H new ATOM 0 HG SER A 55 0.387 -4.792 -1.488 1.00 0.00 H new ATOM 801 N VAL A 56 2.539 -2.945 -4.680 1.00 0.00 N ATOM 802 CA VAL A 56 3.108 -3.614 -5.844 1.00 0.00 C ATOM 803 C VAL A 56 4.023 -4.760 -5.426 1.00 0.00 C ATOM 804 O VAL A 56 4.331 -4.924 -4.245 1.00 0.00 O ATOM 805 CB VAL A 56 3.903 -2.631 -6.723 1.00 0.00 C ATOM 806 CG1 VAL A 56 3.099 -1.362 -6.967 1.00 0.00 C ATOM 807 CG2 VAL A 56 5.244 -2.307 -6.083 1.00 0.00 C ATOM 0 H VAL A 56 3.228 -2.626 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 56 2.273 -4.012 -6.421 1.00 0.00 H new ATOM 0 HB VAL A 56 4.092 -3.104 -7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.677 -0.679 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.167 -1.614 -7.473 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.877 -0.883 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.792 -1.611 -6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.081 -1.854 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.822 -3.224 -5.966 1.00 0.00 H new ATOM 817 N THR A 57 4.456 -5.550 -6.403 1.00 0.00 N ATOM 818 CA THR A 57 5.336 -6.681 -6.138 1.00 0.00 C ATOM 819 C THR A 57 6.603 -6.234 -5.416 1.00 0.00 C ATOM 820 O THR A 57 7.027 -5.086 -5.540 1.00 0.00 O ATOM 821 CB THR A 57 5.730 -7.404 -7.440 1.00 0.00 C ATOM 822 OG1 THR A 57 6.708 -8.413 -7.164 1.00 0.00 O ATOM 823 CG2 THR A 57 6.281 -6.420 -8.460 1.00 0.00 C ATOM 0 H THR A 57 4.211 -5.427 -7.386 1.00 0.00 H new ATOM 0 HA THR A 57 4.781 -7.370 -5.502 1.00 0.00 H new ATOM 0 HB THR A 57 4.837 -7.870 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.952 -8.869 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.552 -6.954 -9.371 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.523 -5.672 -8.690 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.164 -5.928 -8.051 1.00 0.00 H new ATOM 831 N TRP A 58 7.202 -7.150 -4.662 1.00 0.00 N ATOM 832 CA TRP A 58 8.421 -6.849 -3.920 1.00 0.00 C ATOM 833 C TRP A 58 9.592 -6.620 -4.869 1.00 0.00 C ATOM 834 O TRP A 58 9.714 -7.291 -5.893 1.00 0.00 O ATOM 835 CB TRP A 58 8.747 -7.990 -2.953 1.00 0.00 C ATOM 836 CG TRP A 58 9.988 -7.749 -2.149 1.00 0.00 C ATOM 837 CD1 TRP A 58 10.097 -6.988 -1.019 1.00 0.00 C ATOM 838 CD2 TRP A 58 11.295 -8.268 -2.413 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.395 -7.004 -0.566 1.00 0.00 N ATOM 840 CE2 TRP A 58 12.149 -7.782 -1.403 1.00 0.00 C ATOM 841 CE3 TRP A 58 11.829 -9.097 -3.404 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.503 -8.100 -1.357 1.00 0.00 C ATOM 843 CZ3 TRP A 58 13.174 -9.410 -3.358 1.00 0.00 C ATOM 844 CH2 TRP A 58 13.999 -8.914 -2.340 1.00 0.00 C ATOM 0 H TRP A 58 6.864 -8.106 -4.549 1.00 0.00 H new ATOM 0 HA TRP A 58 8.255 -5.935 -3.350 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.906 -8.134 -2.275 1.00 0.00 H new ATOM 0 HB3 TRP A 58 8.863 -8.915 -3.519 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.284 -6.453 -0.551 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.740 -6.515 0.260 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.201 -9.486 -4.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 14.140 -7.718 -0.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.597 -10.048 -4.120 1.00 0.00 H new ATOM 0 HH2 TRP A 58 15.046 -9.179 -2.330 1.00 0.00 H new ATOM 855 N GLU A 59 10.452 -5.668 -4.520 1.00 0.00 N ATOM 856 CA GLU A 59 11.613 -5.349 -5.342 1.00 0.00 C ATOM 857 C GLU A 59 12.898 -5.425 -4.522 1.00 0.00 C ATOM 858 O GLU A 59 13.005 -4.860 -3.434 1.00 0.00 O ATOM 859 CB GLU A 59 11.467 -3.954 -5.953 1.00 0.00 C ATOM 860 CG GLU A 59 10.318 -3.839 -6.939 1.00 0.00 C ATOM 861 CD GLU A 59 10.654 -4.419 -8.298 1.00 0.00 C ATOM 862 OE1 GLU A 59 11.666 -5.145 -8.400 1.00 0.00 O ATOM 863 OE2 GLU A 59 9.906 -4.149 -9.261 1.00 0.00 O ATOM 0 H GLU A 59 10.366 -5.105 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 59 11.670 -6.084 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.321 -3.229 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.396 -3.689 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.445 -4.352 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.046 -2.790 -7.053 1.00 0.00 H new ATOM 870 N PRO A 60 13.898 -6.144 -5.055 1.00 0.00 N ATOM 871 CA PRO A 60 15.193 -6.313 -4.390 1.00 0.00 C ATOM 872 C PRO A 60 16.004 -5.021 -4.364 1.00 0.00 C ATOM 873 O PRO A 60 16.884 -4.847 -3.521 1.00 0.00 O ATOM 874 CB PRO A 60 15.896 -7.369 -5.245 1.00 0.00 C ATOM 875 CG PRO A 60 15.270 -7.245 -6.591 1.00 0.00 C ATOM 876 CD PRO A 60 13.840 -6.847 -6.348 1.00 0.00 C ATOM 0 HA PRO A 60 15.080 -6.599 -3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.970 -7.191 -5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.756 -8.369 -4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.786 -6.498 -7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.326 -8.188 -7.136 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.462 -6.201 -7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.183 -7.715 -6.304 1.00 0.00 H new ATOM 884 N SER A 61 15.701 -4.119 -5.292 1.00 0.00 N ATOM 885 CA SER A 61 16.404 -2.845 -5.378 1.00 0.00 C ATOM 886 C SER A 61 15.641 -1.753 -4.635 1.00 0.00 C ATOM 887 O SER A 61 14.419 -1.656 -4.738 1.00 0.00 O ATOM 888 CB SER A 61 16.599 -2.443 -6.840 1.00 0.00 C ATOM 889 OG SER A 61 17.681 -1.539 -6.981 1.00 0.00 O ATOM 0 H SER A 61 14.973 -4.247 -5.995 1.00 0.00 H new ATOM 0 HA SER A 61 17.381 -2.965 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.783 -3.332 -7.443 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.686 -1.984 -7.219 1.00 0.00 H new ATOM 0 HG SER A 61 17.786 -1.299 -7.925 1.00 0.00 H new ATOM 895 N GLU A 62 16.372 -0.932 -3.886 1.00 0.00 N ATOM 896 CA GLU A 62 15.764 0.153 -3.126 1.00 0.00 C ATOM 897 C GLU A 62 15.015 1.110 -4.048 1.00 0.00 C ATOM 898 O GLU A 62 14.093 1.806 -3.620 1.00 0.00 O ATOM 899 CB GLU A 62 16.832 0.916 -2.341 1.00 0.00 C ATOM 900 CG GLU A 62 16.270 2.026 -1.468 1.00 0.00 C ATOM 901 CD GLU A 62 15.899 1.543 -0.079 1.00 0.00 C ATOM 902 OE1 GLU A 62 16.799 1.061 0.641 1.00 0.00 O ATOM 903 OE2 GLU A 62 14.710 1.647 0.288 1.00 0.00 O ATOM 0 H GLU A 62 17.385 -0.998 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 62 15.051 -0.283 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.380 0.214 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.549 1.344 -3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.005 2.827 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.389 2.451 -1.949 1.00 0.00 H new ATOM 910 N GLN A 63 15.416 1.139 -5.314 1.00 0.00 N ATOM 911 CA GLN A 63 14.783 2.012 -6.296 1.00 0.00 C ATOM 912 C GLN A 63 13.560 1.341 -6.914 1.00 0.00 C ATOM 913 O GLN A 63 12.437 1.824 -6.773 1.00 0.00 O ATOM 914 CB GLN A 63 15.780 2.388 -7.393 1.00 0.00 C ATOM 915 CG GLN A 63 15.129 2.988 -8.629 1.00 0.00 C ATOM 916 CD GLN A 63 16.116 3.732 -9.506 1.00 0.00 C ATOM 917 OE1 GLN A 63 17.100 3.161 -9.977 1.00 0.00 O ATOM 918 NE2 GLN A 63 15.858 5.016 -9.732 1.00 0.00 N ATOM 0 H GLN A 63 16.176 0.568 -5.684 1.00 0.00 H new ATOM 0 HA GLN A 63 14.458 2.917 -5.783 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.499 3.101 -6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.340 1.499 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.660 2.194 -9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.336 3.670 -8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.031 5.450 -9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.487 5.568 -10.316 1.00 0.00 H new ATOM 927 N LEU A 64 13.787 0.224 -7.597 1.00 0.00 N ATOM 928 CA LEU A 64 12.703 -0.515 -8.237 1.00 0.00 C ATOM 929 C LEU A 64 11.461 -0.533 -7.352 1.00 0.00 C ATOM 930 O LEU A 64 10.338 -0.424 -7.843 1.00 0.00 O ATOM 931 CB LEU A 64 13.147 -1.946 -8.542 1.00 0.00 C ATOM 932 CG LEU A 64 13.961 -2.139 -9.823 1.00 0.00 C ATOM 933 CD1 LEU A 64 14.909 -0.968 -10.033 1.00 0.00 C ATOM 934 CD2 LEU A 64 14.732 -3.449 -9.773 1.00 0.00 C ATOM 0 H LEU A 64 14.711 -0.190 -7.722 1.00 0.00 H new ATOM 0 HA LEU A 64 12.454 -0.012 -9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.739 -2.308 -7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.259 -2.576 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 64 13.272 -2.179 -10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 64 15.480 -1.122 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.335 -0.045 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.592 -0.897 -9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.305 -3.569 -10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.411 -3.439 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.033 -4.279 -9.670 1.00 0.00 H new ATOM 946 N GLN A 65 11.671 -0.669 -6.047 1.00 0.00 N ATOM 947 CA GLN A 65 10.568 -0.700 -5.095 1.00 0.00 C ATOM 948 C GLN A 65 9.724 0.567 -5.198 1.00 0.00 C ATOM 949 O GLN A 65 8.510 0.500 -5.389 1.00 0.00 O ATOM 950 CB GLN A 65 11.100 -0.857 -3.670 1.00 0.00 C ATOM 951 CG GLN A 65 10.033 -1.251 -2.661 1.00 0.00 C ATOM 952 CD GLN A 65 9.559 -2.681 -2.842 1.00 0.00 C ATOM 953 OE1 GLN A 65 9.982 -3.583 -2.118 1.00 0.00 O ATOM 954 NE2 GLN A 65 8.678 -2.894 -3.811 1.00 0.00 N ATOM 0 H GLN A 65 12.595 -0.759 -5.625 1.00 0.00 H new ATOM 0 HA GLN A 65 9.938 -1.556 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.887 -1.611 -3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.556 0.082 -3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.428 -1.128 -1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.183 -0.576 -2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.355 -2.116 -4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.324 -3.835 -3.980 1.00 0.00 H new ATOM 963 N ARG A 66 10.375 1.718 -5.071 1.00 0.00 N ATOM 964 CA ARG A 66 9.685 2.999 -5.149 1.00 0.00 C ATOM 965 C ARG A 66 9.112 3.224 -6.545 1.00 0.00 C ATOM 966 O ARG A 66 7.927 3.521 -6.702 1.00 0.00 O ATOM 967 CB ARG A 66 10.638 4.140 -4.788 1.00 0.00 C ATOM 968 CG ARG A 66 11.218 4.028 -3.387 1.00 0.00 C ATOM 969 CD ARG A 66 12.142 5.194 -3.071 1.00 0.00 C ATOM 970 NE ARG A 66 11.518 6.481 -3.367 1.00 0.00 N ATOM 971 CZ ARG A 66 12.204 7.597 -3.589 1.00 0.00 C ATOM 972 NH1 ARG A 66 13.529 7.582 -3.548 1.00 0.00 N ATOM 973 NH2 ARG A 66 11.565 8.729 -3.852 1.00 0.00 N ATOM 0 H ARG A 66 11.380 1.790 -4.914 1.00 0.00 H new ATOM 0 HA ARG A 66 8.862 2.983 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.455 4.162 -5.510 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.107 5.088 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.408 3.997 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.768 3.091 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.422 5.160 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.061 5.095 -3.648 1.00 0.00 H new ATOM 0 HE ARG A 66 10.500 6.525 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.023 6.713 -3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.054 8.440 -3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.546 8.744 -3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.093 9.585 -4.022 1.00 0.00 H new ATOM 987 N LYS A 67 9.960 3.081 -7.558 1.00 0.00 N ATOM 988 CA LYS A 67 9.540 3.267 -8.941 1.00 0.00 C ATOM 989 C LYS A 67 8.209 2.573 -9.204 1.00 0.00 C ATOM 990 O LYS A 67 7.190 3.226 -9.430 1.00 0.00 O ATOM 991 CB LYS A 67 10.607 2.727 -9.897 1.00 0.00 C ATOM 992 CG LYS A 67 11.662 3.752 -10.273 1.00 0.00 C ATOM 993 CD LYS A 67 12.681 3.175 -11.242 1.00 0.00 C ATOM 994 CE LYS A 67 12.103 3.040 -12.642 1.00 0.00 C ATOM 995 NZ LYS A 67 12.315 4.273 -13.450 1.00 0.00 N ATOM 0 H LYS A 67 10.944 2.836 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 67 9.412 4.335 -9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.095 1.868 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.121 2.368 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.182 4.621 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.170 4.099 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.562 3.817 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.010 2.198 -10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.566 2.191 -13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.036 2.828 -12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.907 4.141 -14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.852 5.078 -12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.334 4.461 -13.535 1.00 0.00 H new ATOM 1009 N ALA A 68 8.223 1.244 -9.170 1.00 0.00 N ATOM 1010 CA ALA A 68 7.015 0.461 -9.401 1.00 0.00 C ATOM 1011 C ALA A 68 5.919 0.838 -8.409 1.00 0.00 C ATOM 1012 O ALA A 68 4.767 1.047 -8.792 1.00 0.00 O ATOM 1013 CB ALA A 68 7.324 -1.026 -9.308 1.00 0.00 C ATOM 0 H ALA A 68 9.057 0.687 -8.985 1.00 0.00 H new ATOM 0 HA ALA A 68 6.654 0.684 -10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.413 -1.599 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.068 -1.291 -10.059 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.712 -1.256 -8.316 1.00 0.00 H new ATOM 1019 N LEU A 69 6.283 0.922 -7.135 1.00 0.00 N ATOM 1020 CA LEU A 69 5.330 1.273 -6.088 1.00 0.00 C ATOM 1021 C LEU A 69 4.434 2.425 -6.532 1.00 0.00 C ATOM 1022 O LEU A 69 3.221 2.399 -6.318 1.00 0.00 O ATOM 1023 CB LEU A 69 6.070 1.654 -4.804 1.00 0.00 C ATOM 1024 CG LEU A 69 5.306 2.552 -3.831 1.00 0.00 C ATOM 1025 CD1 LEU A 69 3.914 1.997 -3.573 1.00 0.00 C ATOM 1026 CD2 LEU A 69 6.074 2.698 -2.525 1.00 0.00 C ATOM 0 H LEU A 69 7.232 0.752 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 69 4.703 0.402 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.346 0.738 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.998 2.156 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 69 5.204 3.539 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.385 2.649 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.363 1.945 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.994 0.998 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.515 3.340 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.208 1.717 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.050 3.142 -2.724 1.00 0.00 H new ATOM 1038 N LEU A 70 5.036 3.432 -7.153 1.00 0.00 N ATOM 1039 CA LEU A 70 4.292 4.592 -7.630 1.00 0.00 C ATOM 1040 C LEU A 70 3.522 4.260 -8.905 1.00 0.00 C ATOM 1041 O LEU A 70 2.332 4.551 -9.016 1.00 0.00 O ATOM 1042 CB LEU A 70 5.243 5.763 -7.886 1.00 0.00 C ATOM 1043 CG LEU A 70 5.757 6.493 -6.646 1.00 0.00 C ATOM 1044 CD1 LEU A 70 6.803 7.528 -7.031 1.00 0.00 C ATOM 1045 CD2 LEU A 70 4.605 7.150 -5.898 1.00 0.00 C ATOM 0 H LEU A 70 6.038 3.469 -7.338 1.00 0.00 H new ATOM 0 HA LEU A 70 3.576 4.875 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.101 5.392 -8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.734 6.486 -8.524 1.00 0.00 H new ATOM 0 HG LEU A 70 6.224 5.762 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.157 8.038 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.641 7.033 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.361 8.256 -7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.989 7.665 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.109 7.868 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.890 6.388 -5.589 1.00 0.00 H new ATOM 1057 N GLN A 71 4.210 3.645 -9.862 1.00 0.00 N ATOM 1058 CA GLN A 71 3.590 3.270 -11.127 1.00 0.00 C ATOM 1059 C GLN A 71 2.140 2.848 -10.919 1.00 0.00 C ATOM 1060 O GLN A 71 1.243 3.302 -11.629 1.00 0.00 O ATOM 1061 CB GLN A 71 4.375 2.136 -11.788 1.00 0.00 C ATOM 1062 CG GLN A 71 5.686 2.587 -12.411 1.00 0.00 C ATOM 1063 CD GLN A 71 6.554 1.423 -12.849 1.00 0.00 C ATOM 1064 OE1 GLN A 71 6.195 0.260 -12.659 1.00 0.00 O ATOM 1065 NE2 GLN A 71 7.703 1.730 -13.438 1.00 0.00 N ATOM 0 H GLN A 71 5.196 3.396 -9.785 1.00 0.00 H new ATOM 0 HA GLN A 71 3.604 4.141 -11.782 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.581 1.366 -11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.755 1.677 -12.558 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.476 3.223 -13.271 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.235 3.195 -11.692 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.961 2.707 -13.575 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.328 0.989 -13.754 1.00 0.00 H new ATOM 1074 N GLU A 72 1.918 1.975 -9.941 1.00 0.00 N ATOM 1075 CA GLU A 72 0.576 1.490 -9.641 1.00 0.00 C ATOM 1076 C GLU A 72 -0.299 2.615 -9.095 1.00 0.00 C ATOM 1077 O GLU A 72 -1.377 2.890 -9.623 1.00 0.00 O ATOM 1078 CB GLU A 72 0.638 0.341 -8.632 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.715 -0.280 -8.333 1.00 0.00 C ATOM 1080 CD GLU A 72 -1.143 -1.283 -9.387 1.00 0.00 C ATOM 1081 OE1 GLU A 72 -0.419 -1.431 -10.394 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -2.200 -1.922 -9.204 1.00 0.00 O ATOM 0 H GLU A 72 2.650 1.590 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 72 0.133 1.126 -10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.306 -0.431 -9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.073 0.708 -7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.677 -0.773 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.464 0.508 -8.261 1.00 0.00 H new ATOM 1089 N LEU A 73 0.172 3.260 -8.034 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.568 4.355 -7.413 1.00 0.00 C ATOM 1091 C LEU A 73 -1.176 5.268 -8.472 1.00 0.00 C ATOM 1092 O LEU A 73 -2.352 5.626 -8.394 1.00 0.00 O ATOM 1093 CB LEU A 73 0.352 5.161 -6.495 1.00 0.00 C ATOM 1094 CG LEU A 73 0.472 4.660 -5.056 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.684 5.275 -4.375 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.797 4.973 -4.275 1.00 0.00 C ATOM 0 H LEU A 73 1.062 3.045 -7.585 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.377 3.927 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.348 5.178 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.004 6.191 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 73 0.604 3.578 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.752 4.906 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.587 5.000 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.583 6.360 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.694 4.609 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.960 6.051 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.647 4.483 -4.750 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.370 5.639 -9.461 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.832 6.510 -10.536 1.00 0.00 C ATOM 1110 C GLN A 74 -2.054 5.918 -11.230 1.00 0.00 C ATOM 1111 O GLN A 74 -3.018 6.626 -11.521 1.00 0.00 O ATOM 1112 CB GLN A 74 0.288 6.736 -11.554 1.00 0.00 C ATOM 1113 CG GLN A 74 1.581 7.243 -10.935 1.00 0.00 C ATOM 1114 CD GLN A 74 2.800 6.907 -11.770 1.00 0.00 C ATOM 1115 OE1 GLN A 74 2.683 6.555 -12.944 1.00 0.00 O ATOM 1116 NE2 GLN A 74 3.978 7.013 -11.168 1.00 0.00 N ATOM 0 H GLN A 74 0.605 5.351 -9.541 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.115 7.467 -10.098 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.487 5.800 -12.076 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.052 7.452 -12.302 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.519 8.324 -10.808 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.697 6.812 -9.941 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.028 7.309 -10.193 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.834 6.799 -11.680 1.00 0.00 H new ATOM 1125 N ARG A 75 -2.007 4.616 -11.492 1.00 0.00 N ATOM 1126 CA ARG A 75 -3.110 3.929 -12.153 1.00 0.00 C ATOM 1127 C ARG A 75 -4.438 4.260 -11.479 1.00 0.00 C ATOM 1128 O ARG A 75 -5.479 4.321 -12.134 1.00 0.00 O ATOM 1129 CB ARG A 75 -2.881 2.417 -12.136 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.627 1.983 -12.879 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.572 0.471 -13.041 1.00 0.00 C ATOM 1132 NE ARG A 75 -2.708 -0.039 -13.804 1.00 0.00 N ATOM 1133 CZ ARG A 75 -2.740 -1.246 -14.357 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -1.703 -2.064 -14.231 1.00 0.00 N ATOM 1135 NH2 ARG A 75 -3.810 -1.639 -15.035 1.00 0.00 N ATOM 0 H ARG A 75 -1.217 4.016 -11.257 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.151 4.272 -13.187 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.816 2.079 -11.102 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.745 1.922 -12.579 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.602 2.457 -13.860 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.745 2.325 -12.337 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.645 0.194 -13.542 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.556 0.001 -12.058 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.522 0.565 -13.918 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.879 -1.766 -13.709 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.730 -2.991 -14.657 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.610 -1.014 -15.132 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.833 -2.566 -15.459 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.394 4.473 -10.169 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.595 4.797 -9.407 1.00 0.00 C ATOM 1151 C TRP A 76 -5.856 6.300 -9.416 1.00 0.00 C ATOM 1152 O TRP A 76 -6.813 6.768 -10.030 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.459 4.300 -7.967 1.00 0.00 C ATOM 1154 CG TRP A 76 -5.108 2.846 -7.871 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -3.891 2.316 -7.551 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -5.984 1.737 -8.099 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -3.957 0.944 -7.567 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.231 0.563 -7.899 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.332 1.620 -8.451 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -5.781 -0.708 -8.041 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -7.876 0.358 -8.592 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.102 -0.792 -8.386 1.00 0.00 C ATOM 0 H TRP A 76 -3.541 4.427 -9.612 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.441 4.297 -9.879 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.693 4.886 -7.459 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.397 4.476 -7.440 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -3.007 2.891 -7.319 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.183 0.311 -7.365 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.937 2.500 -8.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.186 -1.596 -7.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -8.916 0.256 -8.866 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.558 -1.764 -8.502 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.998 7.049 -8.732 1.00 0.00 N ATOM 1174 CA ALA A 77 -5.136 8.499 -8.664 1.00 0.00 C ATOM 1175 C ALA A 77 -4.671 9.155 -9.958 1.00 0.00 C ATOM 1176 O ALA A 77 -5.478 9.678 -10.726 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.354 9.049 -7.480 1.00 0.00 C ATOM 0 H ALA A 77 -4.200 6.676 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.192 8.733 -8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.466 10.133 -7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.736 8.612 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.299 8.797 -7.592 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.362 9.128 -10.194 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.812 9.725 -11.397 1.00 0.00 C ATOM 1185 C GLY A 78 -1.425 10.296 -11.178 1.00 0.00 C ATOM 1186 O GLY A 78 -0.432 9.570 -11.132 1.00 0.00 O ATOM 0 H GLY A 78 -2.673 8.703 -9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.772 8.974 -12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.477 10.516 -11.743 1.00 0.00 H new ATOM 1190 N PRO A 79 -1.345 11.628 -11.040 1.00 0.00 N ATOM 1191 CA PRO A 79 -0.073 12.326 -10.825 1.00 0.00 C ATOM 1192 C PRO A 79 0.513 12.049 -9.445 1.00 0.00 C ATOM 1193 O PRO A 79 0.001 12.532 -8.434 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.452 13.802 -10.960 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.900 13.855 -10.611 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.488 12.555 -11.085 1.00 0.00 C ATOM 0 HA PRO A 79 0.694 12.003 -11.529 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.140 14.426 -10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.275 14.165 -11.972 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.038 13.977 -9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.387 14.702 -11.093 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.301 12.222 -10.439 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.896 12.642 -12.092 1.00 0.00 H new ATOM 1204 N LEU A 80 1.589 11.270 -9.410 1.00 0.00 N ATOM 1205 CA LEU A 80 2.245 10.930 -8.152 1.00 0.00 C ATOM 1206 C LEU A 80 3.693 11.412 -8.145 1.00 0.00 C ATOM 1207 O LEU A 80 4.444 11.209 -9.099 1.00 0.00 O ATOM 1208 CB LEU A 80 2.198 9.418 -7.922 1.00 0.00 C ATOM 1209 CG LEU A 80 0.976 8.891 -7.168 1.00 0.00 C ATOM 1210 CD1 LEU A 80 0.945 9.441 -5.751 1.00 0.00 C ATOM 1211 CD2 LEU A 80 -0.304 9.251 -7.910 1.00 0.00 C ATOM 0 H LEU A 80 2.025 10.862 -10.237 1.00 0.00 H new ATOM 0 HA LEU A 80 1.711 11.431 -7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.244 8.922 -8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.093 9.126 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 80 1.048 7.805 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.069 9.055 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.847 9.133 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.897 10.529 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.164 8.868 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.382 10.335 -7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.284 8.808 -8.906 1.00 0.00 H new ATOM 1223 N PRO A 81 4.094 12.064 -7.045 1.00 0.00 N ATOM 1224 CA PRO A 81 5.455 12.586 -6.886 1.00 0.00 C ATOM 1225 C PRO A 81 6.487 11.475 -6.723 1.00 0.00 C ATOM 1226 O PRO A 81 6.188 10.302 -6.940 1.00 0.00 O ATOM 1227 CB PRO A 81 5.367 13.425 -5.609 1.00 0.00 C ATOM 1228 CG PRO A 81 4.236 12.831 -4.843 1.00 0.00 C ATOM 1229 CD PRO A 81 3.251 12.343 -5.869 1.00 0.00 C ATOM 0 HA PRO A 81 5.780 13.149 -7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.296 13.380 -5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.183 14.475 -5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.580 12.012 -4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.780 13.570 -4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.726 11.450 -5.530 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.492 13.095 -6.087 1.00 0.00 H new ATOM 1237 N ALA A 82 7.701 11.853 -6.339 1.00 0.00 N ATOM 1238 CA ALA A 82 8.776 10.888 -6.144 1.00 0.00 C ATOM 1239 C ALA A 82 9.490 11.121 -4.817 1.00 0.00 C ATOM 1240 O ALA A 82 9.536 10.238 -3.962 1.00 0.00 O ATOM 1241 CB ALA A 82 9.766 10.962 -7.298 1.00 0.00 C ATOM 0 H ALA A 82 7.965 12.821 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 82 8.336 9.891 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.564 10.236 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.252 10.739 -8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.192 11.964 -7.348 1.00 0.00 H new ATOM 1247 N THR A 83 10.046 12.317 -4.652 1.00 0.00 N ATOM 1248 CA THR A 83 10.759 12.666 -3.429 1.00 0.00 C ATOM 1249 C THR A 83 9.860 12.518 -2.207 1.00 0.00 C ATOM 1250 O THR A 83 10.282 11.999 -1.172 1.00 0.00 O ATOM 1251 CB THR A 83 11.297 14.108 -3.484 1.00 0.00 C ATOM 1252 OG1 THR A 83 12.165 14.264 -4.612 1.00 0.00 O ATOM 1253 CG2 THR A 83 12.048 14.455 -2.208 1.00 0.00 C ATOM 0 H THR A 83 10.016 13.060 -5.350 1.00 0.00 H new ATOM 0 HA THR A 83 11.598 11.976 -3.345 1.00 0.00 H new ATOM 0 HB THR A 83 10.449 14.785 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.502 15.184 -4.641 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.418 15.478 -2.271 1.00 0.00 H new ATOM 0 HG22 THR A 83 11.376 14.364 -1.354 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.888 13.772 -2.083 1.00 0.00 H new ATOM 1261 N HIS A 84 8.618 12.975 -2.332 1.00 0.00 N ATOM 1262 CA HIS A 84 7.658 12.892 -1.237 1.00 0.00 C ATOM 1263 C HIS A 84 7.579 11.470 -0.692 1.00 0.00 C ATOM 1264 O HIS A 84 7.212 11.256 0.465 1.00 0.00 O ATOM 1265 CB HIS A 84 6.277 13.350 -1.706 1.00 0.00 C ATOM 1266 CG HIS A 84 6.205 14.812 -2.021 1.00 0.00 C ATOM 1267 ND1 HIS A 84 5.224 15.642 -1.522 1.00 0.00 N ATOM 1268 CD2 HIS A 84 7.001 15.592 -2.789 1.00 0.00 C ATOM 1269 CE1 HIS A 84 5.418 16.869 -1.972 1.00 0.00 C ATOM 1270 NE2 HIS A 84 6.491 16.866 -2.742 1.00 0.00 N ATOM 0 H HIS A 84 8.253 13.407 -3.181 1.00 0.00 H new ATOM 0 HA HIS A 84 7.997 13.550 -0.437 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.997 12.782 -2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.544 13.117 -0.933 1.00 0.00 H new ATOM 0 HD1 HIS A 84 4.467 15.354 -0.902 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.875 15.272 -3.337 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.803 17.728 -1.748 1.00 0.00 H new ATOM 1279 N LEU A 85 7.923 10.499 -1.531 1.00 0.00 N ATOM 1280 CA LEU A 85 7.889 9.096 -1.134 1.00 0.00 C ATOM 1281 C LEU A 85 9.074 8.757 -0.235 1.00 0.00 C ATOM 1282 O LEU A 85 10.222 9.050 -0.567 1.00 0.00 O ATOM 1283 CB LEU A 85 7.899 8.195 -2.371 1.00 0.00 C ATOM 1284 CG LEU A 85 7.734 6.697 -2.110 1.00 0.00 C ATOM 1285 CD1 LEU A 85 6.497 6.435 -1.265 1.00 0.00 C ATOM 1286 CD2 LEU A 85 7.657 5.934 -3.424 1.00 0.00 C ATOM 0 H LEU A 85 8.229 10.658 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 85 6.970 8.924 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.099 8.518 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.838 8.350 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 85 8.606 6.345 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.396 5.364 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.593 6.952 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.614 6.802 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.540 4.870 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.804 6.289 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.573 6.096 -3.993 1.00 0.00 H new ATOM 1298 N ARG A 86 8.786 8.135 0.905 1.00 0.00 N ATOM 1299 CA ARG A 86 9.827 7.754 1.852 1.00 0.00 C ATOM 1300 C ARG A 86 9.428 6.500 2.623 1.00 0.00 C ATOM 1301 O ARG A 86 8.245 6.256 2.862 1.00 0.00 O ATOM 1302 CB ARG A 86 10.103 8.900 2.826 1.00 0.00 C ATOM 1303 CG ARG A 86 11.121 9.905 2.313 1.00 0.00 C ATOM 1304 CD ARG A 86 11.657 10.779 3.436 1.00 0.00 C ATOM 1305 NE ARG A 86 12.088 9.988 4.586 1.00 0.00 N ATOM 1306 CZ ARG A 86 12.149 10.464 5.825 1.00 0.00 C ATOM 1307 NH1 ARG A 86 11.808 11.722 6.072 1.00 0.00 N ATOM 1308 NH2 ARG A 86 12.552 9.683 6.819 1.00 0.00 N ATOM 0 H ARG A 86 7.840 7.885 1.194 1.00 0.00 H new ATOM 0 HA ARG A 86 10.735 7.539 1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.168 9.419 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.458 8.486 3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.947 9.377 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.661 10.533 1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.496 11.370 3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.885 11.482 3.748 1.00 0.00 H new ATOM 0 HE ARG A 86 12.357 9.017 4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.498 12.325 5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.855 12.086 7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.816 8.715 6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.598 10.050 7.770 1.00 0.00 H new ATOM 1322 N HIS A 87 10.422 5.708 3.010 1.00 0.00 N ATOM 1323 CA HIS A 87 10.176 4.478 3.755 1.00 0.00 C ATOM 1324 C HIS A 87 10.113 4.755 5.254 1.00 0.00 C ATOM 1325 O HIS A 87 11.031 5.344 5.827 1.00 0.00 O ATOM 1326 CB HIS A 87 11.268 3.450 3.460 1.00 0.00 C ATOM 1327 CG HIS A 87 11.342 2.349 4.473 1.00 0.00 C ATOM 1328 ND1 HIS A 87 12.266 2.329 5.496 1.00 0.00 N ATOM 1329 CD2 HIS A 87 10.601 1.225 4.616 1.00 0.00 C ATOM 1330 CE1 HIS A 87 12.091 1.240 6.224 1.00 0.00 C ATOM 1331 NE2 HIS A 87 11.086 0.554 5.712 1.00 0.00 N ATOM 0 H HIS A 87 11.406 5.896 2.820 1.00 0.00 H new ATOM 0 HA HIS A 87 9.214 4.076 3.436 1.00 0.00 H new ATOM 0 HB2 HIS A 87 11.091 3.016 2.476 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.232 3.958 3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.781 0.914 3.986 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.671 0.959 7.090 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.728 -0.331 6.072 1.00 0.00 H new ATOM 1340 N LEU A 88 9.025 4.327 5.885 1.00 0.00 N ATOM 1341 CA LEU A 88 8.841 4.529 7.318 1.00 0.00 C ATOM 1342 C LEU A 88 8.509 3.214 8.016 1.00 0.00 C ATOM 1343 O LEU A 88 7.345 2.824 8.102 1.00 0.00 O ATOM 1344 CB LEU A 88 7.731 5.550 7.572 1.00 0.00 C ATOM 1345 CG LEU A 88 7.680 6.739 6.611 1.00 0.00 C ATOM 1346 CD1 LEU A 88 6.625 7.739 7.056 1.00 0.00 C ATOM 1347 CD2 LEU A 88 9.045 7.407 6.516 1.00 0.00 C ATOM 0 H LEU A 88 8.256 3.838 5.427 1.00 0.00 H new ATOM 0 HA LEU A 88 9.776 4.910 7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.772 5.033 7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.842 5.933 8.586 1.00 0.00 H new ATOM 0 HG LEU A 88 7.408 6.371 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.603 8.578 6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.649 7.255 7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.866 8.102 8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.990 8.251 5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.346 7.762 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.777 6.688 6.150 1.00 0.00 H new ATOM 1359 N GLY A 89 9.538 2.536 8.513 1.00 0.00 N ATOM 1360 CA GLY A 89 9.333 1.274 9.199 1.00 0.00 C ATOM 1361 C GLY A 89 8.886 0.170 8.260 1.00 0.00 C ATOM 1362 O GLY A 89 8.905 0.339 7.041 1.00 0.00 O ATOM 0 H GLY A 89 10.510 2.838 8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.259 0.976 9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.586 1.406 9.981 1.00 0.00 H new ATOM 1366 N GLU A 90 8.485 -0.962 8.828 1.00 0.00 N ATOM 1367 CA GLU A 90 8.034 -2.098 8.033 1.00 0.00 C ATOM 1368 C GLU A 90 6.880 -2.822 8.722 1.00 0.00 C ATOM 1369 O GLU A 90 6.560 -2.542 9.878 1.00 0.00 O ATOM 1370 CB GLU A 90 9.189 -3.071 7.792 1.00 0.00 C ATOM 1371 CG GLU A 90 9.431 -4.027 8.948 1.00 0.00 C ATOM 1372 CD GLU A 90 10.884 -4.445 9.065 1.00 0.00 C ATOM 1373 OE1 GLU A 90 11.355 -5.204 8.191 1.00 0.00 O ATOM 1374 OE2 GLU A 90 11.550 -4.015 10.030 1.00 0.00 O ATOM 0 H GLU A 90 8.463 -1.117 9.836 1.00 0.00 H new ATOM 0 HA GLU A 90 7.681 -1.719 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.984 -3.649 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.100 -2.502 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.117 -3.553 9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.811 -4.914 8.817 1.00 0.00 H new ATOM 1381 N VAL A 91 6.259 -3.752 8.004 1.00 0.00 N ATOM 1382 CA VAL A 91 5.143 -4.516 8.545 1.00 0.00 C ATOM 1383 C VAL A 91 5.177 -5.960 8.057 1.00 0.00 C ATOM 1384 O VAL A 91 4.851 -6.246 6.905 1.00 0.00 O ATOM 1385 CB VAL A 91 3.791 -3.887 8.156 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.652 -4.855 8.435 1.00 0.00 C ATOM 1387 CG2 VAL A 91 3.582 -2.575 8.898 1.00 0.00 C ATOM 0 H VAL A 91 6.511 -3.994 7.046 1.00 0.00 H new ATOM 0 HA VAL A 91 5.245 -4.499 9.630 1.00 0.00 H new ATOM 0 HB VAL A 91 3.802 -3.676 7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.705 -4.394 8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.798 -5.766 7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.635 -5.100 9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.623 -2.144 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.591 -2.759 9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.382 -1.881 8.642 1.00 0.00 H new ATOM 1397 N VAL A 92 5.574 -6.869 8.942 1.00 0.00 N ATOM 1398 CA VAL A 92 5.650 -8.285 8.602 1.00 0.00 C ATOM 1399 C VAL A 92 4.718 -9.111 9.481 1.00 0.00 C ATOM 1400 O VAL A 92 4.939 -9.246 10.685 1.00 0.00 O ATOM 1401 CB VAL A 92 7.087 -8.821 8.750 1.00 0.00 C ATOM 1402 CG1 VAL A 92 7.132 -10.313 8.461 1.00 0.00 C ATOM 1403 CG2 VAL A 92 8.034 -8.063 7.834 1.00 0.00 C ATOM 0 H VAL A 92 5.848 -6.650 9.900 1.00 0.00 H new ATOM 0 HA VAL A 92 5.341 -8.378 7.561 1.00 0.00 H new ATOM 0 HB VAL A 92 7.411 -8.665 9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.155 -10.674 8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.484 -10.839 9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.789 -10.497 7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.045 -8.454 7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.715 -8.186 6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.022 -7.005 8.094 1.00 0.00 H new ATOM 1413 N HIS A 93 3.674 -9.665 8.871 1.00 0.00 N ATOM 1414 CA HIS A 93 2.708 -10.480 9.598 1.00 0.00 C ATOM 1415 C HIS A 93 2.908 -11.961 9.293 1.00 0.00 C ATOM 1416 O HIS A 93 3.312 -12.330 8.189 1.00 0.00 O ATOM 1417 CB HIS A 93 1.282 -10.061 9.237 1.00 0.00 C ATOM 1418 CG HIS A 93 0.231 -10.756 10.047 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.359 -10.191 11.158 1.00 0.00 N ATOM 1420 CD2 HIS A 93 -0.337 -11.976 9.900 1.00 0.00 C ATOM 1421 CE1 HIS A 93 -1.243 -11.034 11.661 1.00 0.00 C ATOM 1422 NE2 HIS A 93 -1.250 -12.125 10.916 1.00 0.00 N ATOM 0 H HIS A 93 3.476 -9.564 7.875 1.00 0.00 H new ATOM 0 HA HIS A 93 2.866 -10.322 10.665 1.00 0.00 H new ATOM 0 HB2 HIS A 93 1.182 -8.984 9.375 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.109 -10.265 8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.114 -12.698 9.128 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.856 -10.861 12.533 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.837 -12.944 11.070 1.00 0.00 H new ATOM 1431 N THR A 94 2.624 -12.807 10.278 1.00 0.00 N ATOM 1432 CA THR A 94 2.774 -14.248 10.116 1.00 0.00 C ATOM 1433 C THR A 94 1.441 -14.964 10.296 1.00 0.00 C ATOM 1434 O THR A 94 0.862 -14.957 11.383 1.00 0.00 O ATOM 1435 CB THR A 94 3.792 -14.822 11.119 1.00 0.00 C ATOM 1436 OG1 THR A 94 5.039 -14.128 11.004 1.00 0.00 O ATOM 1437 CG2 THR A 94 4.009 -16.309 10.878 1.00 0.00 C ATOM 0 H THR A 94 2.289 -12.519 11.197 1.00 0.00 H new ATOM 0 HA THR A 94 3.138 -14.416 9.103 1.00 0.00 H new ATOM 0 HB THR A 94 3.394 -14.687 12.125 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.680 -14.498 11.646 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.732 -16.693 11.598 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.064 -16.838 10.996 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.387 -16.462 9.867 1.00 0.00 H new ATOM 1445 N PHE A 95 0.957 -15.582 9.223 1.00 0.00 N ATOM 1446 CA PHE A 95 -0.309 -16.302 9.262 1.00 0.00 C ATOM 1447 C PHE A 95 -0.077 -17.803 9.417 1.00 0.00 C ATOM 1448 O PHE A 95 1.059 -18.254 9.558 1.00 0.00 O ATOM 1449 CB PHE A 95 -1.116 -16.029 7.991 1.00 0.00 C ATOM 1450 CG PHE A 95 -1.512 -14.589 7.831 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -2.517 -14.042 8.611 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -0.879 -13.783 6.899 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.884 -12.717 8.465 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.240 -12.457 6.749 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.244 -11.924 7.533 1.00 0.00 C ATOM 0 H PHE A 95 1.423 -15.598 8.316 1.00 0.00 H new ATOM 0 HA PHE A 95 -0.872 -15.947 10.125 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.529 -16.335 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.015 -16.646 8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.020 -14.658 9.342 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.094 -14.195 6.282 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.670 -12.303 9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.738 -11.839 6.020 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.528 -10.889 7.417 1.00 0.00 H new ATOM 1465 N SER A 96 -1.162 -18.570 9.392 1.00 0.00 N ATOM 1466 CA SER A 96 -1.078 -20.018 9.534 1.00 0.00 C ATOM 1467 C SER A 96 -0.065 -20.602 8.555 1.00 0.00 C ATOM 1468 O SER A 96 -0.257 -20.549 7.339 1.00 0.00 O ATOM 1469 CB SER A 96 -2.451 -20.655 9.306 1.00 0.00 C ATOM 1470 OG SER A 96 -3.275 -20.513 10.450 1.00 0.00 O ATOM 0 H SER A 96 -2.110 -18.212 9.275 1.00 0.00 H new ATOM 0 HA SER A 96 -0.746 -20.240 10.548 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.933 -20.189 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.330 -21.712 9.070 1.00 0.00 H new ATOM 0 HG SER A 96 -4.147 -20.926 10.279 1.00 0.00 H new ATOM 1476 N HIS A 97 1.016 -21.160 9.093 1.00 0.00 N ATOM 1477 CA HIS A 97 2.060 -21.756 8.267 1.00 0.00 C ATOM 1478 C HIS A 97 2.389 -20.858 7.077 1.00 0.00 C ATOM 1479 O HIS A 97 2.814 -21.338 6.025 1.00 0.00 O ATOM 1480 CB HIS A 97 1.625 -23.136 7.775 1.00 0.00 C ATOM 1481 CG HIS A 97 0.335 -23.122 7.015 1.00 0.00 C ATOM 1482 ND1 HIS A 97 -0.863 -23.540 7.557 1.00 0.00 N ATOM 1483 CD2 HIS A 97 0.057 -22.735 5.748 1.00 0.00 C ATOM 1484 CE1 HIS A 97 -1.821 -23.413 6.657 1.00 0.00 C ATOM 1485 NE2 HIS A 97 -1.289 -22.926 5.549 1.00 0.00 N ATOM 0 H HIS A 97 1.191 -21.212 10.097 1.00 0.00 H new ATOM 0 HA HIS A 97 2.956 -21.863 8.878 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.408 -23.549 7.139 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.525 -23.803 8.631 1.00 0.00 H new ATOM 0 HD2 HIS A 97 0.762 -22.348 5.027 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.861 -23.664 6.801 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.795 -22.725 4.687 1.00 0.00 H new ATOM 1494 N ILE A 98 2.191 -19.556 7.252 1.00 0.00 N ATOM 1495 CA ILE A 98 2.469 -18.593 6.194 1.00 0.00 C ATOM 1496 C ILE A 98 3.168 -17.356 6.745 1.00 0.00 C ATOM 1497 O ILE A 98 3.053 -17.040 7.930 1.00 0.00 O ATOM 1498 CB ILE A 98 1.177 -18.161 5.474 1.00 0.00 C ATOM 1499 CG1 ILE A 98 0.634 -19.309 4.621 1.00 0.00 C ATOM 1500 CG2 ILE A 98 1.435 -16.932 4.615 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -0.863 -19.249 4.410 1.00 0.00 C ATOM 0 H ILE A 98 1.839 -19.144 8.116 1.00 0.00 H new ATOM 0 HA ILE A 98 3.126 -19.090 5.480 1.00 0.00 H new ATOM 0 HB ILE A 98 0.429 -17.906 6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.130 -19.296 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.888 -20.256 5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.513 -16.639 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.781 -16.113 5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.197 -17.162 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.178 -20.093 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.368 -19.293 5.375 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.122 -18.318 3.906 1.00 0.00 H new ATOM 1513 N LYS A 99 3.893 -16.657 5.878 1.00 0.00 N ATOM 1514 CA LYS A 99 4.609 -15.451 6.276 1.00 0.00 C ATOM 1515 C LYS A 99 4.467 -14.360 5.220 1.00 0.00 C ATOM 1516 O LYS A 99 4.744 -14.582 4.041 1.00 0.00 O ATOM 1517 CB LYS A 99 6.090 -15.765 6.503 1.00 0.00 C ATOM 1518 CG LYS A 99 6.749 -14.873 7.541 1.00 0.00 C ATOM 1519 CD LYS A 99 7.058 -13.496 6.977 1.00 0.00 C ATOM 1520 CE LYS A 99 8.446 -13.447 6.358 1.00 0.00 C ATOM 1521 NZ LYS A 99 8.432 -13.873 4.930 1.00 0.00 N ATOM 0 H LYS A 99 4.000 -16.905 4.895 1.00 0.00 H new ATOM 0 HA LYS A 99 4.172 -15.090 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.189 -16.805 6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.623 -15.664 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.093 -14.774 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.670 -15.339 7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.314 -13.234 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.986 -12.752 7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.841 -12.434 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.119 -14.092 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.221 -13.420 4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.533 -14.907 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.532 -13.590 4.492 1.00 0.00 H new ATOM 1535 N LEU A 100 4.033 -13.181 5.650 1.00 0.00 N ATOM 1536 CA LEU A 100 3.855 -12.053 4.742 1.00 0.00 C ATOM 1537 C LEU A 100 4.777 -10.898 5.119 1.00 0.00 C ATOM 1538 O LEU A 100 5.012 -10.635 6.299 1.00 0.00 O ATOM 1539 CB LEU A 100 2.399 -11.584 4.758 1.00 0.00 C ATOM 1540 CG LEU A 100 1.470 -12.241 3.737 1.00 0.00 C ATOM 1541 CD1 LEU A 100 1.582 -11.546 2.389 1.00 0.00 C ATOM 1542 CD2 LEU A 100 1.789 -13.724 3.603 1.00 0.00 C ATOM 0 H LEU A 100 3.798 -12.981 6.622 1.00 0.00 H new ATOM 0 HA LEU A 100 4.112 -12.385 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.993 -11.759 5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.384 -10.507 4.593 1.00 0.00 H new ATOM 0 HG LEU A 100 0.444 -12.141 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.914 -12.027 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.304 -10.497 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.608 -11.615 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.118 -14.176 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.821 -13.846 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.657 -14.213 4.568 1.00 0.00 H new ATOM 1554 N THR A 101 5.298 -10.208 4.109 1.00 0.00 N ATOM 1555 CA THR A 101 6.193 -9.080 4.334 1.00 0.00 C ATOM 1556 C THR A 101 5.720 -7.844 3.580 1.00 0.00 C ATOM 1557 O THR A 101 5.764 -7.799 2.350 1.00 0.00 O ATOM 1558 CB THR A 101 7.634 -9.412 3.902 1.00 0.00 C ATOM 1559 OG1 THR A 101 8.072 -10.616 4.542 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.579 -8.272 4.249 1.00 0.00 C ATOM 0 H THR A 101 5.115 -10.411 3.126 1.00 0.00 H new ATOM 0 HA THR A 101 6.181 -8.875 5.404 1.00 0.00 H new ATOM 0 HB THR A 101 7.643 -9.553 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.988 -10.821 4.261 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.590 -8.529 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.259 -7.365 3.736 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.566 -8.103 5.326 1.00 0.00 H new ATOM 1568 N TYR A 102 5.269 -6.840 4.324 1.00 0.00 N ATOM 1569 CA TYR A 102 4.785 -5.601 3.725 1.00 0.00 C ATOM 1570 C TYR A 102 5.718 -4.439 4.049 1.00 0.00 C ATOM 1571 O TYR A 102 6.177 -4.296 5.182 1.00 0.00 O ATOM 1572 CB TYR A 102 3.371 -5.288 4.218 1.00 0.00 C ATOM 1573 CG TYR A 102 2.309 -6.181 3.616 1.00 0.00 C ATOM 1574 CD1 TYR A 102 2.048 -7.439 4.146 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.565 -5.765 2.519 1.00 0.00 C ATOM 1576 CE1 TYR A 102 1.079 -8.257 3.599 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.593 -6.577 1.966 1.00 0.00 C ATOM 1578 CZ TYR A 102 0.354 -7.822 2.510 1.00 0.00 C ATOM 1579 OH TYR A 102 -0.614 -8.634 1.963 1.00 0.00 O ATOM 0 H TYR A 102 5.228 -6.860 5.343 1.00 0.00 H new ATOM 0 HA TYR A 102 4.763 -5.735 2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.344 -5.386 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.135 -4.250 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.613 -7.783 5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.749 -4.791 2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.890 -9.233 4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.024 -6.239 1.113 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.032 -8.178 1.203 1.00 0.00 H new ATOM 1589 N GLN A 103 5.991 -3.611 3.047 1.00 0.00 N ATOM 1590 CA GLN A 103 6.869 -2.460 3.225 1.00 0.00 C ATOM 1591 C GLN A 103 6.059 -1.179 3.397 1.00 0.00 C ATOM 1592 O GLN A 103 5.285 -0.799 2.520 1.00 0.00 O ATOM 1593 CB GLN A 103 7.814 -2.323 2.030 1.00 0.00 C ATOM 1594 CG GLN A 103 8.620 -3.579 1.744 1.00 0.00 C ATOM 1595 CD GLN A 103 9.732 -3.800 2.750 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.893 -3.483 2.489 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.383 -4.348 3.908 1.00 0.00 N ATOM 0 H GLN A 103 5.617 -3.715 2.104 1.00 0.00 H new ATOM 0 HA GLN A 103 7.458 -2.620 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.232 -2.066 1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.499 -1.495 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.954 -4.442 1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.048 -3.512 0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.409 -4.595 4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.089 -4.522 4.623 1.00 0.00 H new ATOM 1606 N VAL A 104 6.243 -0.518 4.536 1.00 0.00 N ATOM 1607 CA VAL A 104 5.530 0.721 4.824 1.00 0.00 C ATOM 1608 C VAL A 104 6.087 1.879 4.004 1.00 0.00 C ATOM 1609 O VAL A 104 7.292 2.135 4.009 1.00 0.00 O ATOM 1610 CB VAL A 104 5.610 1.080 6.320 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.826 2.350 6.607 1.00 0.00 C ATOM 1612 CG2 VAL A 104 5.104 -0.073 7.172 1.00 0.00 C ATOM 0 H VAL A 104 6.879 -0.820 5.274 1.00 0.00 H new ATOM 0 HA VAL A 104 4.487 0.556 4.553 1.00 0.00 H new ATOM 0 HB VAL A 104 6.654 1.261 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.894 2.588 7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.240 3.173 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.781 2.202 6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.168 0.198 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.067 -0.288 6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.714 -0.957 6.987 1.00 0.00 H new ATOM 1622 N TYR A 105 5.203 2.578 3.300 1.00 0.00 N ATOM 1623 CA TYR A 105 5.606 3.709 2.473 1.00 0.00 C ATOM 1624 C TYR A 105 4.638 4.876 2.637 1.00 0.00 C ATOM 1625 O TYR A 105 3.423 4.689 2.675 1.00 0.00 O ATOM 1626 CB TYR A 105 5.676 3.292 1.003 1.00 0.00 C ATOM 1627 CG TYR A 105 7.029 2.761 0.588 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.107 3.619 0.400 1.00 0.00 C ATOM 1629 CD2 TYR A 105 7.231 1.402 0.383 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.344 3.138 0.021 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.466 0.912 0.005 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.520 1.784 -0.176 1.00 0.00 C ATOM 1633 OH TYR A 105 10.752 1.301 -0.554 1.00 0.00 O ATOM 0 H TYR A 105 4.202 2.381 3.286 1.00 0.00 H new ATOM 0 HA TYR A 105 6.594 4.032 2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.922 2.528 0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.424 4.149 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.974 4.680 0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.408 0.716 0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.170 3.819 -0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.606 -0.148 -0.148 1.00 0.00 H new ATOM 0 HH TYR A 105 11.007 0.559 0.033 1.00 0.00 H new ATOM 1643 N GLY A 106 5.187 6.083 2.735 1.00 0.00 N ATOM 1644 CA GLY A 106 4.360 7.264 2.893 1.00 0.00 C ATOM 1645 C GLY A 106 4.433 8.188 1.694 1.00 0.00 C ATOM 1646 O GLY A 106 5.461 8.266 1.022 1.00 0.00 O ATOM 0 H GLY A 106 6.191 6.263 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.325 6.960 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.673 7.806 3.785 1.00 0.00 H new ATOM 1650 N LEU A 107 3.336 8.889 1.422 1.00 0.00 N ATOM 1651 CA LEU A 107 3.279 9.811 0.293 1.00 0.00 C ATOM 1652 C LEU A 107 2.115 10.786 0.445 1.00 0.00 C ATOM 1653 O LEU A 107 0.955 10.414 0.270 1.00 0.00 O ATOM 1654 CB LEU A 107 3.143 9.035 -1.019 1.00 0.00 C ATOM 1655 CG LEU A 107 3.487 9.808 -2.293 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.766 11.146 -2.318 1.00 0.00 C ATOM 1657 CD2 LEU A 107 4.991 10.006 -2.406 1.00 0.00 C ATOM 0 H LEU A 107 2.476 8.836 1.967 1.00 0.00 H new ATOM 0 HA LEU A 107 4.207 10.382 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.785 8.156 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.117 8.676 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 107 3.153 9.225 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.024 11.681 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.689 10.980 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.068 11.738 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.218 10.558 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.350 10.568 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.485 9.035 -2.437 1.00 0.00 H new ATOM 1669 N ALA A 108 2.434 12.034 0.769 1.00 0.00 N ATOM 1670 CA ALA A 108 1.415 13.063 0.940 1.00 0.00 C ATOM 1671 C ALA A 108 1.687 14.260 0.035 1.00 0.00 C ATOM 1672 O ALA A 108 2.836 14.664 -0.148 1.00 0.00 O ATOM 1673 CB ALA A 108 1.348 13.503 2.394 1.00 0.00 C ATOM 0 H ALA A 108 3.390 12.358 0.918 1.00 0.00 H new ATOM 0 HA ALA A 108 0.453 12.637 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.583 14.271 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.098 12.648 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.314 13.906 2.697 1.00 0.00 H new ATOM 1679 N LEU A 109 0.624 14.822 -0.529 1.00 0.00 N ATOM 1680 CA LEU A 109 0.747 15.974 -1.415 1.00 0.00 C ATOM 1681 C LEU A 109 0.786 17.274 -0.618 1.00 0.00 C ATOM 1682 O LEU A 109 -0.238 17.736 -0.118 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.416 16.006 -2.409 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.493 14.835 -3.390 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -1.809 14.862 -4.150 1.00 0.00 C ATOM 1686 CD2 LEU A 109 0.683 14.869 -4.354 1.00 0.00 C ATOM 0 H LEU A 109 -0.333 14.499 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 109 1.684 15.879 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.348 16.044 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.352 16.931 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.444 13.906 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.846 14.022 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.638 14.788 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.888 15.796 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.612 14.029 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.666 15.803 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.615 14.800 -3.793 1.00 0.00 H new ATOM 1698 N GLU A 110 1.974 17.859 -0.507 1.00 0.00 N ATOM 1699 CA GLU A 110 2.145 19.107 0.228 1.00 0.00 C ATOM 1700 C GLU A 110 1.097 20.135 -0.193 1.00 0.00 C ATOM 1701 O GLU A 110 0.797 21.069 0.548 1.00 0.00 O ATOM 1702 CB GLU A 110 3.549 19.672 0.001 1.00 0.00 C ATOM 1703 CG GLU A 110 3.934 20.760 0.988 1.00 0.00 C ATOM 1704 CD GLU A 110 3.665 20.364 2.426 1.00 0.00 C ATOM 1705 OE1 GLU A 110 4.502 19.642 3.009 1.00 0.00 O ATOM 1706 OE2 GLU A 110 2.620 20.776 2.971 1.00 0.00 O ATOM 0 H GLU A 110 2.832 17.489 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 110 2.015 18.894 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.273 18.860 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.611 20.073 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.992 20.993 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.379 21.669 0.756 1.00 0.00 H new ATOM 1751 N PRO A 114 -4.308 18.649 -7.342 1.00 0.00 N ATOM 1752 CA PRO A 114 -5.261 17.587 -7.004 1.00 0.00 C ATOM 1753 C PRO A 114 -5.244 16.449 -8.018 1.00 0.00 C ATOM 1754 O PRO A 114 -4.611 16.550 -9.069 1.00 0.00 O ATOM 1755 CB PRO A 114 -6.613 18.305 -7.028 1.00 0.00 C ATOM 1756 CG PRO A 114 -6.413 19.461 -7.947 1.00 0.00 C ATOM 1757 CD PRO A 114 -4.982 19.887 -7.770 1.00 0.00 C ATOM 0 HA PRO A 114 -5.028 17.118 -6.048 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.404 17.647 -7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -6.902 18.637 -6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.611 19.177 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.096 20.275 -7.704 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.560 20.274 -8.698 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.887 20.675 -7.023 1.00 0.00 H new ATOM 1765 N VAL A 115 -5.944 15.366 -7.696 1.00 0.00 N ATOM 1766 CA VAL A 115 -6.010 14.208 -8.580 1.00 0.00 C ATOM 1767 C VAL A 115 -7.349 14.148 -9.307 1.00 0.00 C ATOM 1768 O VAL A 115 -7.409 13.849 -10.499 1.00 0.00 O ATOM 1769 CB VAL A 115 -5.802 12.895 -7.802 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -6.795 12.790 -6.655 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -5.922 11.699 -8.733 1.00 0.00 C ATOM 0 H VAL A 115 -6.473 15.266 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.208 14.320 -9.309 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.797 12.899 -7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.632 11.856 -6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.655 13.630 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.811 12.809 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.772 10.780 -8.166 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.913 11.688 -9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.166 11.770 -9.515 1.00 0.00 H new ATOM 1781 N THR A 116 -8.425 14.433 -8.579 1.00 0.00 N ATOM 1782 CA THR A 116 -9.764 14.411 -9.153 1.00 0.00 C ATOM 1783 C THR A 116 -9.889 13.324 -10.215 1.00 0.00 C ATOM 1784 O THR A 116 -10.432 13.556 -11.296 1.00 0.00 O ATOM 1785 CB THR A 116 -10.129 15.770 -9.780 1.00 0.00 C ATOM 1786 OG1 THR A 116 -9.395 15.963 -10.994 1.00 0.00 O ATOM 1787 CG2 THR A 116 -9.832 16.908 -8.816 1.00 0.00 C ATOM 0 H THR A 116 -8.394 14.682 -7.590 1.00 0.00 H new ATOM 0 HA THR A 116 -10.454 14.199 -8.337 1.00 0.00 H new ATOM 0 HB THR A 116 -11.197 15.769 -9.998 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.707 15.326 -11.670 1.00 0.00 H new ATOM 0 HG21 THR A 116 -10.098 17.857 -9.281 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.415 16.774 -7.905 1.00 0.00 H new ATOM 0 HG23 THR A 116 -8.770 16.909 -8.570 1.00 0.00 H new ATOM 1795 N THR A 117 -9.384 12.135 -9.900 1.00 0.00 N ATOM 1796 CA THR A 117 -9.440 11.012 -10.828 1.00 0.00 C ATOM 1797 C THR A 117 -9.241 9.688 -10.099 1.00 0.00 C ATOM 1798 O THR A 117 -8.225 9.478 -9.436 1.00 0.00 O ATOM 1799 CB THR A 117 -8.373 11.142 -11.932 1.00 0.00 C ATOM 1800 OG1 THR A 117 -8.560 12.366 -12.651 1.00 0.00 O ATOM 1801 CG2 THR A 117 -8.444 9.966 -12.894 1.00 0.00 C ATOM 0 H THR A 117 -8.932 11.925 -9.010 1.00 0.00 H new ATOM 0 HA THR A 117 -10.429 11.028 -11.285 1.00 0.00 H new ATOM 0 HB THR A 117 -7.391 11.145 -11.460 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.462 12.710 -12.482 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.681 10.080 -13.665 1.00 0.00 H new ATOM 0 HG22 THR A 117 -8.273 9.038 -12.348 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.429 9.936 -13.360 1.00 0.00 H new ATOM 1809 N VAL A 118 -10.218 8.795 -10.227 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.150 7.489 -9.582 1.00 0.00 C ATOM 1811 C VAL A 118 -11.193 6.537 -10.157 1.00 0.00 C ATOM 1812 O VAL A 118 -12.353 6.899 -10.364 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.358 7.603 -8.061 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -11.822 7.860 -7.739 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -9.862 6.347 -7.360 1.00 0.00 C ATOM 0 H VAL A 118 -11.066 8.953 -10.772 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.154 7.092 -9.776 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.777 8.450 -7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -11.949 7.937 -6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.140 8.790 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -12.428 7.037 -8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.017 6.445 -6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.414 5.482 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.799 6.213 -7.563 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.775 5.291 -10.422 1.00 0.00 N ATOM 1826 CA PRO A 119 -11.659 4.260 -10.976 1.00 0.00 C ATOM 1827 C PRO A 119 -12.711 3.799 -9.973 1.00 0.00 C ATOM 1828 O PRO A 119 -12.646 4.108 -8.783 1.00 0.00 O ATOM 1829 CB PRO A 119 -10.700 3.114 -11.311 1.00 0.00 C ATOM 1830 CG PRO A 119 -9.544 3.306 -10.391 1.00 0.00 C ATOM 1831 CD PRO A 119 -9.408 4.791 -10.201 1.00 0.00 C ATOM 0 HA PRO A 119 -12.225 4.625 -11.833 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.173 2.144 -11.156 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -10.386 3.152 -12.354 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.716 2.805 -9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.634 2.882 -10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -9.047 5.037 -9.202 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.702 5.224 -10.910 1.00 0.00 H new ATOM 1839 N PRO A 120 -13.703 3.041 -10.462 1.00 0.00 N ATOM 1840 CA PRO A 120 -14.788 2.520 -9.625 1.00 0.00 C ATOM 1841 C PRO A 120 -14.307 1.442 -8.659 1.00 0.00 C ATOM 1842 O PRO A 120 -15.091 0.899 -7.881 1.00 0.00 O ATOM 1843 CB PRO A 120 -15.768 1.930 -10.641 1.00 0.00 C ATOM 1844 CG PRO A 120 -14.930 1.597 -11.826 1.00 0.00 C ATOM 1845 CD PRO A 120 -13.843 2.634 -11.870 1.00 0.00 C ATOM 0 HA PRO A 120 -15.224 3.294 -8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -16.263 1.044 -10.245 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -16.550 2.644 -10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -14.510 0.595 -11.738 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -15.523 1.614 -12.740 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -12.913 2.225 -12.264 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -14.116 3.476 -12.506 1.00 0.00 H new ATOM 1853 N GLY A 121 -13.015 1.135 -8.717 1.00 0.00 N ATOM 1854 CA GLY A 121 -12.453 0.123 -7.842 1.00 0.00 C ATOM 1855 C GLY A 121 -11.728 0.721 -6.653 1.00 0.00 C ATOM 1856 O GLY A 121 -11.276 -0.001 -5.764 1.00 0.00 O ATOM 0 H GLY A 121 -12.347 1.569 -9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.251 -0.529 -7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.761 -0.500 -8.409 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.616 2.045 -6.636 1.00 0.00 N ATOM 1861 CA ALA A 122 -10.940 2.741 -5.547 1.00 0.00 C ATOM 1862 C ALA A 122 -11.837 3.816 -4.942 1.00 0.00 C ATOM 1863 O ALA A 122 -12.684 4.389 -5.629 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.638 3.352 -6.039 1.00 0.00 C ATOM 0 H ALA A 122 -11.984 2.657 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.714 2.013 -4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.144 3.868 -5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.986 2.564 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.849 4.062 -6.838 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.646 4.084 -3.655 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.440 5.089 -2.958 1.00 0.00 C ATOM 1872 C ARG A 123 -11.544 6.024 -2.150 1.00 0.00 C ATOM 1873 O ARG A 123 -10.451 5.643 -1.731 1.00 0.00 O ATOM 1874 CB ARG A 123 -13.459 4.417 -2.036 1.00 0.00 C ATOM 1875 CG ARG A 123 -12.931 4.154 -0.635 1.00 0.00 C ATOM 1876 CD ARG A 123 -13.895 3.298 0.172 1.00 0.00 C ATOM 1877 NE ARG A 123 -15.027 4.074 0.673 1.00 0.00 N ATOM 1878 CZ ARG A 123 -16.125 4.311 -0.035 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -16.241 3.835 -1.267 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -17.113 5.026 0.491 1.00 0.00 N ATOM 0 H ARG A 123 -10.949 3.620 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.972 5.678 -3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -14.346 5.047 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.772 3.472 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -11.964 3.655 -0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -12.768 5.102 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.262 2.481 -0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.365 2.847 1.011 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.971 4.454 1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.485 3.284 -1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -17.086 4.019 -1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -17.028 5.393 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.956 5.208 -0.053 1.00 0.00 H new ATOM 1894 N TRP A 124 -12.016 7.246 -1.935 1.00 0.00 N ATOM 1895 CA TRP A 124 -11.257 8.236 -1.177 1.00 0.00 C ATOM 1896 C TRP A 124 -11.932 8.532 0.158 1.00 0.00 C ATOM 1897 O TRP A 124 -12.900 9.291 0.221 1.00 0.00 O ATOM 1898 CB TRP A 124 -11.111 9.525 -1.985 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.889 9.546 -2.853 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.803 9.147 -4.157 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.579 9.986 -2.479 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.518 9.314 -4.615 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.749 9.827 -3.605 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -8.028 10.501 -1.303 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.397 10.165 -3.587 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.686 10.835 -1.285 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -5.884 10.666 -2.422 1.00 0.00 C ATOM 0 H TRP A 124 -12.920 7.576 -2.274 1.00 0.00 H new ATOM 0 HA TRP A 124 -10.267 7.826 -0.980 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -11.994 9.656 -2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -11.077 10.373 -1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.624 8.758 -4.741 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.190 9.092 -5.555 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.639 10.636 -0.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.777 10.036 -4.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -6.249 11.232 -0.381 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.839 10.937 -2.377 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.415 7.929 1.224 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.968 8.130 2.559 1.00 0.00 C ATOM 1920 C LEU A 125 -10.958 8.825 3.467 1.00 0.00 C ATOM 1921 O LEU A 125 -9.789 8.977 3.113 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.380 6.789 3.168 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.368 5.650 3.034 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -10.250 5.808 4.052 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -12.056 4.303 3.198 1.00 0.00 C ATOM 0 H LEU A 125 -10.615 7.298 1.190 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.848 8.767 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.586 6.942 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.315 6.474 2.704 1.00 0.00 H new ATOM 0 HG LEU A 125 -10.931 5.692 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.539 4.989 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.739 6.756 3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.669 5.792 5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.321 3.504 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.521 4.249 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -12.820 4.189 2.429 1.00 0.00 H new ATOM 1937 N THR A 126 -11.419 9.244 4.642 1.00 0.00 N ATOM 1938 CA THR A 126 -10.556 9.922 5.602 1.00 0.00 C ATOM 1939 C THR A 126 -9.837 8.920 6.499 1.00 0.00 C ATOM 1940 O THR A 126 -10.183 7.739 6.525 1.00 0.00 O ATOM 1941 CB THR A 126 -11.356 10.900 6.483 1.00 0.00 C ATOM 1942 OG1 THR A 126 -12.000 10.188 7.546 1.00 0.00 O ATOM 1943 CG2 THR A 126 -12.398 11.642 5.659 1.00 0.00 C ATOM 0 H THR A 126 -12.384 9.126 4.951 1.00 0.00 H new ATOM 0 HA THR A 126 -9.820 10.482 5.025 1.00 0.00 H new ATOM 0 HB THR A 126 -10.661 11.628 6.902 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.505 10.817 8.102 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.950 12.327 6.302 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.903 12.206 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 126 -13.088 10.925 5.215 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.837 9.400 7.231 1.00 0.00 N ATOM 1952 CA GLN A 127 -8.070 8.545 8.129 1.00 0.00 C ATOM 1953 C GLN A 127 -8.993 7.768 9.061 1.00 0.00 C ATOM 1954 O GLN A 127 -8.774 6.585 9.322 1.00 0.00 O ATOM 1955 CB GLN A 127 -7.085 9.382 8.947 1.00 0.00 C ATOM 1956 CG GLN A 127 -6.115 10.184 8.095 1.00 0.00 C ATOM 1957 CD GLN A 127 -5.413 11.275 8.880 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -5.527 11.346 10.105 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -4.683 12.134 8.179 1.00 0.00 N ATOM 0 H GLN A 127 -8.539 10.375 7.220 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.512 7.831 7.523 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.645 10.065 9.586 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.519 8.722 9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.370 9.512 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -6.655 10.632 7.261 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -4.616 12.038 7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.189 12.890 8.654 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.024 8.441 9.562 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.979 7.813 10.466 1.00 0.00 C ATOM 1970 C GLU A 128 -11.798 6.749 9.741 1.00 0.00 C ATOM 1971 O GLU A 128 -11.905 5.613 10.203 1.00 0.00 O ATOM 1972 CB GLU A 128 -11.911 8.866 11.070 1.00 0.00 C ATOM 1973 CG GLU A 128 -11.328 9.572 12.282 1.00 0.00 C ATOM 1974 CD GLU A 128 -12.395 10.047 13.250 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -13.189 10.933 12.867 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -12.435 9.536 14.387 1.00 0.00 O ATOM 0 H GLU A 128 -10.219 9.421 9.357 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.419 7.331 11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.149 9.608 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -12.849 8.389 11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.648 8.895 12.800 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -10.737 10.426 11.951 1.00 0.00 H new ATOM 1983 N GLU A 129 -12.371 7.127 8.603 1.00 0.00 N ATOM 1984 CA GLU A 129 -13.181 6.204 7.814 1.00 0.00 C ATOM 1985 C GLU A 129 -12.414 4.918 7.524 1.00 0.00 C ATOM 1986 O GLU A 129 -12.986 3.828 7.518 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.611 6.863 6.501 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.929 7.612 6.599 1.00 0.00 C ATOM 1989 CD GLU A 129 -16.131 6.700 6.450 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -16.541 6.089 7.460 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -16.661 6.595 5.325 1.00 0.00 O ATOM 0 H GLU A 129 -12.290 8.063 8.207 1.00 0.00 H new ATOM 0 HA GLU A 129 -14.069 5.953 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.833 7.555 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.695 6.097 5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -14.982 8.122 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.964 8.381 5.828 1.00 0.00 H new ATOM 1998 N PHE A 130 -11.113 5.053 7.283 1.00 0.00 N ATOM 1999 CA PHE A 130 -10.267 3.903 6.989 1.00 0.00 C ATOM 2000 C PHE A 130 -10.370 2.856 8.094 1.00 0.00 C ATOM 2001 O PHE A 130 -10.700 1.698 7.838 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.811 4.344 6.823 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.819 3.248 7.087 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.399 2.415 6.063 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -7.307 3.051 8.359 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.485 1.405 6.303 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -6.393 2.043 8.605 1.00 0.00 C ATOM 2008 CZ PHE A 130 -5.982 1.218 7.575 1.00 0.00 C ATOM 0 H PHE A 130 -10.623 5.947 7.286 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.613 3.457 6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.666 4.718 5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.612 5.174 7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.790 2.556 5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.625 3.692 9.168 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.165 0.763 5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -6.001 1.900 9.601 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.269 0.429 7.765 1.00 0.00 H new ATOM 2018 N HIS A 131 -10.086 3.272 9.323 1.00 0.00 N ATOM 2019 CA HIS A 131 -10.145 2.371 10.469 1.00 0.00 C ATOM 2020 C HIS A 131 -11.483 1.638 10.514 1.00 0.00 C ATOM 2021 O HIS A 131 -11.534 0.428 10.736 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.932 3.148 11.769 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.610 3.848 11.837 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -7.408 3.179 11.919 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -8.306 5.168 11.834 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -6.420 4.056 11.965 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.939 5.269 11.915 1.00 0.00 N ATOM 0 H HIS A 131 -9.812 4.228 9.552 1.00 0.00 H new ATOM 0 HA HIS A 131 -9.349 1.634 10.362 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.729 3.883 11.878 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -10.014 2.461 12.611 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -9.007 5.987 11.778 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.368 3.821 12.032 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -6.410 6.141 11.934 1.00 0.00 H new ATOM 2036 N THR A 132 -12.566 2.381 10.303 1.00 0.00 N ATOM 2037 CA THR A 132 -13.904 1.803 10.322 1.00 0.00 C ATOM 2038 C THR A 132 -14.175 1.003 9.053 1.00 0.00 C ATOM 2039 O THR A 132 -15.196 0.325 8.942 1.00 0.00 O ATOM 2040 CB THR A 132 -14.984 2.892 10.469 1.00 0.00 C ATOM 2041 OG1 THR A 132 -15.115 3.620 9.243 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.637 3.848 11.599 1.00 0.00 C ATOM 0 H THR A 132 -12.542 3.384 10.117 1.00 0.00 H new ATOM 0 HA THR A 132 -13.949 1.138 11.184 1.00 0.00 H new ATOM 0 HB THR A 132 -15.931 2.406 10.704 1.00 0.00 H new ATOM 0 HG1 THR A 132 -14.257 3.621 8.770 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.414 4.608 11.684 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.567 3.294 12.535 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.681 4.328 11.389 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.253 1.084 8.099 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.392 0.365 6.838 1.00 0.00 C ATOM 2052 C ALA A 133 -12.970 -1.092 6.990 1.00 0.00 C ATOM 2053 O ALA A 133 -12.512 -1.509 8.053 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.573 1.043 5.751 1.00 0.00 C ATOM 0 H ALA A 133 -12.402 1.640 8.175 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.443 0.384 6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.686 0.496 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -12.923 2.067 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.522 1.053 6.040 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.129 -1.864 5.918 1.00 0.00 N ATOM 2061 CA ALA A 134 -12.765 -3.275 5.932 1.00 0.00 C ATOM 2062 C ALA A 134 -11.353 -3.481 5.391 1.00 0.00 C ATOM 2063 O ALA A 134 -11.148 -3.571 4.181 1.00 0.00 O ATOM 2064 CB ALA A 134 -13.765 -4.087 5.124 1.00 0.00 C ATOM 0 H ALA A 134 -13.507 -1.535 5.030 1.00 0.00 H new ATOM 0 HA ALA A 134 -12.786 -3.620 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.480 -5.139 5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -14.760 -3.972 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -13.773 -3.733 4.093 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.383 -3.555 6.296 1.00 0.00 N ATOM 2071 CA VAL A 135 -8.991 -3.752 5.910 1.00 0.00 C ATOM 2072 C VAL A 135 -8.386 -4.956 6.626 1.00 0.00 C ATOM 2073 O VAL A 135 -8.871 -5.373 7.677 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.140 -2.505 6.219 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -7.038 -2.341 5.184 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -9.018 -1.264 6.276 1.00 0.00 C ATOM 0 H VAL A 135 -10.535 -3.481 7.302 1.00 0.00 H new ATOM 0 HA VAL A 135 -8.984 -3.931 4.835 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.672 -2.637 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.447 -1.455 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.394 -3.220 5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.482 -2.230 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.402 -0.392 6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.515 -1.125 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -9.768 -1.384 7.058 1.00 0.00 H new ATOM 2086 N SER A 136 -7.324 -5.509 6.049 1.00 0.00 N ATOM 2087 CA SER A 136 -6.654 -6.667 6.629 1.00 0.00 C ATOM 2088 C SER A 136 -5.656 -6.237 7.700 1.00 0.00 C ATOM 2089 O SER A 136 -4.974 -5.220 7.558 1.00 0.00 O ATOM 2090 CB SER A 136 -5.939 -7.467 5.540 1.00 0.00 C ATOM 2091 OG SER A 136 -6.806 -8.426 4.959 1.00 0.00 O ATOM 0 H SER A 136 -6.909 -5.174 5.180 1.00 0.00 H new ATOM 0 HA SER A 136 -7.410 -7.298 7.095 1.00 0.00 H new ATOM 0 HB2 SER A 136 -5.572 -6.790 4.769 1.00 0.00 H new ATOM 0 HB3 SER A 136 -5.069 -7.968 5.965 1.00 0.00 H new ATOM 0 HG SER A 136 -6.325 -8.923 4.264 1.00 0.00 H new ATOM 2097 N THR A 137 -5.575 -7.017 8.773 1.00 0.00 N ATOM 2098 CA THR A 137 -4.661 -6.718 9.868 1.00 0.00 C ATOM 2099 C THR A 137 -3.384 -6.060 9.356 1.00 0.00 C ATOM 2100 O THR A 137 -3.145 -4.878 9.598 1.00 0.00 O ATOM 2101 CB THR A 137 -4.290 -7.990 10.653 1.00 0.00 C ATOM 2102 OG1 THR A 137 -5.467 -8.580 11.216 1.00 0.00 O ATOM 2103 CG2 THR A 137 -3.297 -7.672 11.761 1.00 0.00 C ATOM 0 H THR A 137 -6.132 -7.861 8.907 1.00 0.00 H new ATOM 0 HA THR A 137 -5.180 -6.028 10.533 1.00 0.00 H new ATOM 0 HB THR A 137 -3.826 -8.694 9.962 1.00 0.00 H new ATOM 0 HG1 THR A 137 -5.222 -9.389 11.712 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.050 -8.586 12.302 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.390 -7.251 11.327 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.738 -6.951 12.449 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.570 -6.833 8.646 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.320 -6.324 8.097 1.00 0.00 C ATOM 2113 C ALA A 138 -1.495 -4.913 7.549 1.00 0.00 C ATOM 2114 O ALA A 138 -0.628 -4.057 7.724 1.00 0.00 O ATOM 2115 CB ALA A 138 -0.803 -7.255 7.009 1.00 0.00 C ATOM 0 H ALA A 138 -2.754 -7.814 8.437 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.588 -6.284 8.904 1.00 0.00 H new ATOM 0 HB1 ALA A 138 0.131 -6.862 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -0.629 -8.245 7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.540 -7.325 6.209 1.00 0.00 H new ATOM 2121 N MET A 139 -2.621 -4.677 6.883 1.00 0.00 N ATOM 2122 CA MET A 139 -2.909 -3.367 6.309 1.00 0.00 C ATOM 2123 C MET A 139 -3.241 -2.356 7.403 1.00 0.00 C ATOM 2124 O MET A 139 -2.826 -1.198 7.339 1.00 0.00 O ATOM 2125 CB MET A 139 -4.072 -3.465 5.320 1.00 0.00 C ATOM 2126 CG MET A 139 -3.974 -4.658 4.383 1.00 0.00 C ATOM 2127 SD MET A 139 -2.459 -4.649 3.404 1.00 0.00 S ATOM 2128 CE MET A 139 -2.325 -2.909 3.003 1.00 0.00 C ATOM 0 H MET A 139 -3.348 -5.375 6.728 1.00 0.00 H new ATOM 0 HA MET A 139 -2.019 -3.025 5.780 1.00 0.00 H new ATOM 0 HB2 MET A 139 -5.007 -3.526 5.876 1.00 0.00 H new ATOM 0 HB3 MET A 139 -4.113 -2.551 4.728 1.00 0.00 H new ATOM 0 HG2 MET A 139 -4.020 -5.578 4.966 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.834 -4.661 3.714 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.733 -2.789 2.096 1.00 0.00 H new ATOM 0 HE2 MET A 139 -3.320 -2.495 2.844 1.00 0.00 H new ATOM 0 HE3 MET A 139 -1.840 -2.382 3.825 1.00 0.00 H new ATOM 2138 N LYS A 140 -3.991 -2.799 8.406 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.377 -1.935 9.514 1.00 0.00 C ATOM 2140 C LYS A 140 -3.159 -1.525 10.336 1.00 0.00 C ATOM 2141 O LYS A 140 -3.181 -0.514 11.036 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.395 -2.643 10.410 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.698 -2.977 9.704 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.859 -3.055 10.682 1.00 0.00 C ATOM 2145 CE LYS A 140 -8.482 -1.689 10.918 1.00 0.00 C ATOM 2146 NZ LYS A 140 -7.851 -0.982 12.066 1.00 0.00 N ATOM 0 H LYS A 140 -4.344 -3.754 8.474 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.832 -1.036 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.952 -3.563 10.792 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.610 -2.011 11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.908 -2.220 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.596 -3.928 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.615 -3.739 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.511 -3.466 11.630 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -8.380 -1.083 10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -9.550 -1.804 11.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -8.541 -0.333 12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -7.542 -1.678 12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -7.029 -0.440 11.731 1.00 0.00 H new ATOM 2160 N LYS A 141 -2.096 -2.318 10.243 1.00 0.00 N ATOM 2161 CA LYS A 141 -0.867 -2.037 10.975 1.00 0.00 C ATOM 2162 C LYS A 141 0.132 -1.290 10.096 1.00 0.00 C ATOM 2163 O LYS A 141 1.151 -0.796 10.579 1.00 0.00 O ATOM 2164 CB LYS A 141 -0.241 -3.339 11.481 1.00 0.00 C ATOM 2165 CG LYS A 141 -0.031 -4.376 10.392 1.00 0.00 C ATOM 2166 CD LYS A 141 0.723 -5.588 10.914 1.00 0.00 C ATOM 2167 CE LYS A 141 -0.135 -6.415 11.859 1.00 0.00 C ATOM 2168 NZ LYS A 141 0.688 -7.118 12.881 1.00 0.00 N ATOM 0 H LYS A 141 -2.061 -3.160 9.668 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.118 -1.406 11.827 1.00 0.00 H new ATOM 0 HB2 LYS A 141 0.718 -3.114 11.947 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -0.880 -3.762 12.256 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.997 -4.690 9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 141 0.523 -3.930 9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 141 1.043 -6.207 10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 141 1.625 -5.261 11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -0.856 -5.767 12.356 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -0.706 -7.146 11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 0.067 -7.671 13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 1.359 -7.756 12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 1.213 -6.419 13.444 1.00 0.00 H new ATOM 2182 N VAL A 142 -0.169 -1.209 8.804 1.00 0.00 N ATOM 2183 CA VAL A 142 0.701 -0.519 7.858 1.00 0.00 C ATOM 2184 C VAL A 142 0.549 0.993 7.973 1.00 0.00 C ATOM 2185 O VAL A 142 1.465 1.747 7.645 1.00 0.00 O ATOM 2186 CB VAL A 142 0.403 -0.945 6.409 1.00 0.00 C ATOM 2187 CG1 VAL A 142 0.930 0.092 5.428 1.00 0.00 C ATOM 2188 CG2 VAL A 142 1.001 -2.315 6.122 1.00 0.00 C ATOM 0 H VAL A 142 -1.008 -1.612 8.388 1.00 0.00 H new ATOM 0 HA VAL A 142 1.725 -0.798 8.108 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.678 -1.012 6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.710 -0.226 4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.450 1.052 5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.008 0.195 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.780 -2.600 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.081 -2.278 6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.570 -3.050 6.802 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.615 1.431 8.444 1.00 0.00 N ATOM 2199 CA PHE A 143 -0.888 2.854 8.603 1.00 0.00 C ATOM 2200 C PHE A 143 -0.207 3.403 9.853 1.00 0.00 C ATOM 2201 O PHE A 143 0.586 4.342 9.780 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.396 3.101 8.681 1.00 0.00 C ATOM 2203 CG PHE A 143 -2.757 4.534 8.948 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -2.818 5.451 7.911 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.034 4.965 10.235 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -3.151 6.771 8.152 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -3.367 6.283 10.482 1.00 0.00 C ATOM 2208 CZ PHE A 143 -3.423 7.188 9.440 1.00 0.00 C ATOM 0 H PHE A 143 -1.383 0.820 8.722 1.00 0.00 H new ATOM 0 HA PHE A 143 -0.486 3.374 7.733 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -2.856 2.788 7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.818 2.476 9.468 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -2.603 5.131 6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -2.989 4.263 11.054 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -3.198 7.475 7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -3.583 6.606 11.490 1.00 0.00 H new ATOM 0 HZ PHE A 143 -3.679 8.219 9.632 1.00 0.00 H new ATOM 2218 N ARG A 144 -0.522 2.810 11.001 1.00 0.00 N ATOM 2219 CA ARG A 144 0.058 3.239 12.268 1.00 0.00 C ATOM 2220 C ARG A 144 1.568 3.413 12.143 1.00 0.00 C ATOM 2221 O ARG A 144 2.175 4.198 12.872 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.260 2.225 13.367 1.00 0.00 C ATOM 2223 CG ARG A 144 0.277 0.831 13.085 1.00 0.00 C ATOM 2224 CD ARG A 144 -0.503 -0.231 13.845 1.00 0.00 C ATOM 2225 NE ARG A 144 -0.402 -0.055 15.290 1.00 0.00 N ATOM 2226 CZ ARG A 144 0.704 -0.293 15.986 1.00 0.00 C ATOM 2227 NH1 ARG A 144 1.799 -0.717 15.370 1.00 0.00 N ATOM 2228 NH2 ARG A 144 0.717 -0.109 17.300 1.00 0.00 N ATOM 0 H ARG A 144 -1.176 2.031 11.079 1.00 0.00 H new ATOM 0 HA ARG A 144 -0.380 4.201 12.533 1.00 0.00 H new ATOM 0 HB2 ARG A 144 0.156 2.581 14.309 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -1.341 2.169 13.496 1.00 0.00 H new ATOM 0 HG2 ARG A 144 0.222 0.628 12.015 1.00 0.00 H new ATOM 0 HG3 ARG A 144 1.329 0.782 13.365 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -1.551 -0.193 13.548 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -0.130 -1.218 13.573 1.00 0.00 H new ATOM 0 HE ARG A 144 -1.227 0.269 15.794 1.00 0.00 H new ATOM 0 HH11 ARG A 144 1.793 -0.861 14.360 1.00 0.00 H new ATOM 0 HH12 ARG A 144 2.647 -0.899 15.906 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -0.124 0.216 17.778 1.00 0.00 H new ATOM 0 HH22 ARG A 144 1.568 -0.292 17.832 1.00 0.00 H new ATOM 2242 N VAL A 145 2.169 2.676 11.214 1.00 0.00 N ATOM 2243 CA VAL A 145 3.609 2.750 10.993 1.00 0.00 C ATOM 2244 C VAL A 145 3.973 3.965 10.147 1.00 0.00 C ATOM 2245 O VAL A 145 5.006 4.598 10.364 1.00 0.00 O ATOM 2246 CB VAL A 145 4.136 1.479 10.300 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.630 1.594 10.041 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.824 0.249 11.139 1.00 0.00 C ATOM 0 H VAL A 145 1.681 2.021 10.603 1.00 0.00 H new ATOM 0 HA VAL A 145 4.076 2.841 11.974 1.00 0.00 H new ATOM 0 HB VAL A 145 3.633 1.373 9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.985 0.687 9.551 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.823 2.453 9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 145 6.154 1.724 10.988 1.00 0.00 H new ATOM 0 HG21 VAL A 145 4.203 -0.640 10.636 1.00 0.00 H new ATOM 0 HG22 VAL A 145 4.300 0.344 12.115 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.745 0.161 11.268 1.00 0.00 H new ATOM 2258 N TYR A 146 3.118 4.285 9.182 1.00 0.00 N ATOM 2259 CA TYR A 146 3.352 5.423 8.301 1.00 0.00 C ATOM 2260 C TYR A 146 3.207 6.738 9.061 1.00 0.00 C ATOM 2261 O TYR A 146 3.884 7.721 8.758 1.00 0.00 O ATOM 2262 CB TYR A 146 2.376 5.392 7.124 1.00 0.00 C ATOM 2263 CG TYR A 146 2.040 6.762 6.579 1.00 0.00 C ATOM 2264 CD1 TYR A 146 3.024 7.571 6.024 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.739 7.248 6.620 1.00 0.00 C ATOM 2266 CE1 TYR A 146 2.721 8.823 5.526 1.00 0.00 C ATOM 2267 CE2 TYR A 146 0.428 8.498 6.123 1.00 0.00 C ATOM 2268 CZ TYR A 146 1.423 9.282 5.577 1.00 0.00 C ATOM 2269 OH TYR A 146 1.116 10.529 5.082 1.00 0.00 O ATOM 0 H TYR A 146 2.257 3.773 8.990 1.00 0.00 H new ATOM 0 HA TYR A 146 4.371 5.353 7.921 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.803 4.787 6.324 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.456 4.900 7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.043 7.215 5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.042 6.638 7.048 1.00 0.00 H new ATOM 0 HE1 TYR A 146 3.498 9.439 5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -0.589 8.860 6.162 1.00 0.00 H new ATOM 0 HH TYR A 146 0.157 10.698 5.194 1.00 0.00 H new ATOM 2279 N GLN A 147 2.320 6.748 10.051 1.00 0.00 N ATOM 2280 CA GLN A 147 2.086 7.942 10.855 1.00 0.00 C ATOM 2281 C GLN A 147 3.020 7.979 12.059 1.00 0.00 C ATOM 2282 O GLN A 147 3.610 9.014 12.367 1.00 0.00 O ATOM 2283 CB GLN A 147 0.629 7.989 11.324 1.00 0.00 C ATOM 2284 CG GLN A 147 -0.377 7.860 10.192 1.00 0.00 C ATOM 2285 CD GLN A 147 -0.491 9.125 9.363 1.00 0.00 C ATOM 2286 OE1 GLN A 147 0.374 9.420 8.539 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -1.563 9.878 9.579 1.00 0.00 N ATOM 0 H GLN A 147 1.752 5.943 10.315 1.00 0.00 H new ATOM 0 HA GLN A 147 2.289 8.814 10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 147 0.461 7.186 12.042 1.00 0.00 H new ATOM 0 HB3 GLN A 147 0.455 8.928 11.849 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -0.086 7.032 9.546 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -1.354 7.613 10.606 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -2.255 9.594 10.273 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -1.695 10.741 9.051 1.00 0.00 H new