USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 675 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 39 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= -0.104 USER MOD Set 2.1: A 44 SER OG : rot 170:sc= 0.0151 USER MOD Set 2.2: A 101 ASN : amide:sc= -1.66 K(o=-1.6,f=-12!) USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 32 THR OG1 : rot -117:sc= -0.198 USER MOD Set 4.2: A 85 HIS : no HE2:sc= -5.55 X(o=-5.7,f=-5.6!) USER MOD Set 5.1: A 29 SER OG : rot -64:sc= 0.214 USER MOD Set 5.2: A 30 HIS : no HD1:sc= -0.987 K(o=-0.77,f=-3.4!) USER MOD Single : A 17 ASN : amide:sc= -0.575 K(o=-0.57,f=-3.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -40:sc= -2.84 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 36 HIS : no HE2:sc= -1.81 X(o=-1.8,f=-1.8) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -123:sc= -0.958 (180deg=-3.22!) USER MOD Single : A 76 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.43) USER MOD Single : A 78 LYS NZ :NH3+ -123:sc= -1.92! (180deg=-6.37!) USER MOD Single : A 79 GLN : amide:sc= -8.73! C(o=-8.7!,f=-15!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 81 HIS : no HD1:sc= -0.478 X(o=-0.48,f=-0.0075) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.23) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0756 USER MOD Single : A 91 THR OG1 : rot 66:sc= 0.194 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.378 USER MOD Single : A 98 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0232) USER MOD Single : A 102 GLN : amide:sc= -2.29 K(o=-2.3,f=-5.4!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.578 K(o=-0.58,f=-5!) USER MOD Single : A 108 SER OG : rot 128:sc= 1.25 USER MOD Single : A 111 THR OG1 : rot -150:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -173:sc= 1.22 USER MOD Single : A 116 ASN : amide:sc= -3.68! C(o=-3.7!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -5.030 -16.037 -6.326 1.00 0.00 N ATOM 174 CA ALA A 15 -4.864 -14.615 -6.051 1.00 0.00 C ATOM 175 C ALA A 15 -4.032 -14.393 -4.793 1.00 0.00 C ATOM 176 O ALA A 15 -4.100 -15.159 -3.831 1.00 0.00 O ATOM 177 CB ALA A 15 -6.222 -13.942 -5.915 1.00 0.00 C ATOM 0 HA ALA A 15 -4.332 -14.167 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.083 -12.881 -5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.782 -14.062 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.775 -14.401 -5.095 1.00 0.00 H new ATOM 183 N PRO A 16 -3.227 -13.320 -4.797 1.00 0.00 N ATOM 184 CA PRO A 16 -2.367 -12.972 -3.662 1.00 0.00 C ATOM 185 C PRO A 16 -3.165 -12.491 -2.455 1.00 0.00 C ATOM 186 O PRO A 16 -4.198 -11.840 -2.602 1.00 0.00 O ATOM 187 CB PRO A 16 -1.495 -11.840 -4.212 1.00 0.00 C ATOM 188 CG PRO A 16 -2.306 -11.235 -5.305 1.00 0.00 C ATOM 189 CD PRO A 16 -3.096 -12.363 -5.908 1.00 0.00 C ATOM 0 HA PRO A 16 -1.799 -13.830 -3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.263 -11.107 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.544 -12.219 -4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.967 -10.460 -4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.666 -10.764 -6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.069 -12.026 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.579 -12.805 -6.760 1.00 0.00 H new ATOM 197 N ASN A 17 -2.677 -12.816 -1.262 1.00 0.00 N ATOM 198 CA ASN A 17 -3.346 -12.417 -0.029 1.00 0.00 C ATOM 199 C ASN A 17 -3.447 -10.897 0.068 1.00 0.00 C ATOM 200 O ASN A 17 -2.462 -10.174 -0.079 1.00 0.00 O ATOM 201 CB ASN A 17 -2.594 -12.967 1.185 1.00 0.00 C ATOM 202 CG ASN A 17 -1.324 -12.193 1.478 1.00 0.00 C ATOM 203 OD1 ASN A 17 -0.547 -11.887 0.573 1.00 0.00 O ATOM 204 ND2 ASN A 17 -1.107 -11.871 2.748 1.00 0.00 N ATOM 0 H ASN A 17 -1.822 -13.354 -1.123 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.354 -12.831 -0.042 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.246 -12.934 2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.346 -14.014 1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.269 -11.349 3.006 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.778 -12.145 3.465 1.00 0.00 H new ATOM 211 N PRO A 18 -4.667 -10.401 0.322 1.00 0.00 N ATOM 212 CA PRO A 18 -4.927 -8.963 0.446 1.00 0.00 C ATOM 213 C PRO A 18 -4.314 -8.370 1.710 1.00 0.00 C ATOM 214 O PRO A 18 -4.617 -8.785 2.829 1.00 0.00 O ATOM 215 CB PRO A 18 -6.454 -8.882 0.502 1.00 0.00 C ATOM 216 CG PRO A 18 -6.884 -10.207 1.030 1.00 0.00 C ATOM 217 CD PRO A 18 -5.887 -11.204 0.509 1.00 0.00 C ATOM 0 HA PRO A 18 -4.487 -8.397 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.784 -8.071 1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.877 -8.693 -0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.901 -10.206 2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.892 -10.452 0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.727 -12.019 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.220 -11.653 -0.427 1.00 0.00 H new ATOM 225 N PRO A 19 -3.432 -7.376 1.531 1.00 0.00 N ATOM 226 CA PRO A 19 -2.760 -6.704 2.647 1.00 0.00 C ATOM 227 C PRO A 19 -3.715 -5.841 3.464 1.00 0.00 C ATOM 228 O PRO A 19 -4.799 -5.487 3.000 1.00 0.00 O ATOM 229 CB PRO A 19 -1.710 -5.831 1.955 1.00 0.00 C ATOM 230 CG PRO A 19 -2.258 -5.589 0.591 1.00 0.00 C ATOM 231 CD PRO A 19 -3.023 -6.831 0.226 1.00 0.00 C ATOM 0 HA PRO A 19 -2.341 -7.416 3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.557 -4.895 2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.744 -6.334 1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.907 -4.714 0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.457 -5.400 -0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.884 -6.602 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.403 -7.536 -0.328 1.00 0.00 H new ATOM 239 N SER A 20 -3.305 -5.504 4.683 1.00 0.00 N ATOM 240 CA SER A 20 -4.127 -4.685 5.567 1.00 0.00 C ATOM 241 C SER A 20 -3.394 -3.405 5.957 1.00 0.00 C ATOM 242 O SER A 20 -2.438 -3.435 6.732 1.00 0.00 O ATOM 243 CB SER A 20 -4.504 -5.473 6.822 1.00 0.00 C ATOM 244 OG SER A 20 -5.768 -6.097 6.672 1.00 0.00 O ATOM 0 H SER A 20 -2.409 -5.785 5.081 1.00 0.00 H new ATOM 0 HA SER A 20 -5.036 -4.414 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.744 -6.228 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.525 -4.804 7.683 1.00 0.00 H new ATOM 0 HG SER A 20 -5.985 -6.596 7.487 1.00 0.00 H new ATOM 250 N ILE A 21 -3.850 -2.281 5.413 1.00 0.00 N ATOM 251 CA ILE A 21 -3.240 -0.990 5.705 1.00 0.00 C ATOM 252 C ILE A 21 -3.622 -0.503 7.098 1.00 0.00 C ATOM 253 O ILE A 21 -4.791 -0.235 7.374 1.00 0.00 O ATOM 254 CB ILE A 21 -3.652 0.074 4.670 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.245 -0.366 3.263 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.025 1.417 5.013 1.00 0.00 C ATOM 257 CD1 ILE A 21 -3.980 0.368 2.164 1.00 0.00 C ATOM 0 H ILE A 21 -4.639 -2.239 4.768 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.161 -1.133 5.657 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.736 0.184 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.173 -0.211 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.427 -1.436 3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.325 2.158 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.361 1.734 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.939 1.322 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.641 0.005 1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.051 0.193 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.778 1.436 2.242 1.00 0.00 H new ATOM 269 N ARG A 22 -2.627 -0.389 7.973 1.00 0.00 N ATOM 270 CA ARG A 22 -2.859 0.066 9.338 1.00 0.00 C ATOM 271 C ARG A 22 -2.998 1.585 9.389 1.00 0.00 C ATOM 272 O ARG A 22 -2.102 2.314 8.964 1.00 0.00 O ATOM 273 CB ARG A 22 -1.715 -0.383 10.249 1.00 0.00 C ATOM 274 CG ARG A 22 -1.542 -1.891 10.311 1.00 0.00 C ATOM 275 CD ARG A 22 -2.698 -2.555 11.042 1.00 0.00 C ATOM 276 NE ARG A 22 -2.515 -2.532 12.491 1.00 0.00 N ATOM 277 CZ ARG A 22 -3.090 -3.398 13.318 1.00 0.00 C ATOM 278 NH1 ARG A 22 -3.879 -4.351 12.842 1.00 0.00 N ATOM 279 NH2 ARG A 22 -2.874 -3.312 14.625 1.00 0.00 N ATOM 0 H ARG A 22 -1.653 -0.606 7.760 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.790 -0.379 9.689 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.786 0.067 9.899 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.893 -0.005 11.256 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.471 -2.292 9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.606 -2.130 10.815 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.628 -2.048 10.786 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.795 -3.587 10.705 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.913 -1.812 12.890 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.046 -4.421 11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.319 -5.015 13.480 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.266 -2.581 14.994 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.316 -3.977 15.260 1.00 0.00 H new ATOM 293 N GLU A 23 -4.127 2.054 9.910 1.00 0.00 N ATOM 294 CA GLU A 23 -4.383 3.486 10.015 1.00 0.00 C ATOM 295 C GLU A 23 -3.777 4.055 11.294 1.00 0.00 C ATOM 296 O GLU A 23 -3.454 5.240 11.366 1.00 0.00 O ATOM 297 CB GLU A 23 -5.888 3.761 9.983 1.00 0.00 C ATOM 298 CG GLU A 23 -6.506 3.608 8.603 1.00 0.00 C ATOM 299 CD GLU A 23 -7.948 4.073 8.555 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.814 3.384 9.135 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.211 5.126 7.938 1.00 0.00 O ATOM 0 H GLU A 23 -4.879 1.464 10.266 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.913 3.977 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.388 3.081 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.072 4.773 10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.920 4.178 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.455 2.562 8.300 1.00 0.00 H new ATOM 308 N GLU A 24 -3.629 3.201 12.302 1.00 0.00 N ATOM 309 CA GLU A 24 -3.063 3.619 13.580 1.00 0.00 C ATOM 310 C GLU A 24 -1.542 3.705 13.500 1.00 0.00 C ATOM 311 O GLU A 24 -0.903 4.379 14.309 1.00 0.00 O ATOM 312 CB GLU A 24 -3.473 2.646 14.687 1.00 0.00 C ATOM 313 CG GLU A 24 -2.715 1.329 14.651 1.00 0.00 C ATOM 314 CD GLU A 24 -3.442 0.260 13.859 1.00 0.00 C ATOM 315 OE1 GLU A 24 -3.919 0.565 12.747 1.00 0.00 O ATOM 316 OE2 GLU A 24 -3.532 -0.884 14.353 1.00 0.00 O ATOM 0 H GLU A 24 -3.893 2.217 12.259 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.453 4.610 13.814 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.313 3.121 15.655 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.541 2.443 14.604 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.730 1.493 14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.557 0.977 15.670 1.00 0.00 H new ATOM 323 N LEU A 25 -0.967 3.017 12.519 1.00 0.00 N ATOM 324 CA LEU A 25 0.479 3.014 12.333 1.00 0.00 C ATOM 325 C LEU A 25 0.895 4.036 11.279 1.00 0.00 C ATOM 326 O LEU A 25 1.995 4.587 11.335 1.00 0.00 O ATOM 327 CB LEU A 25 0.957 1.620 11.924 1.00 0.00 C ATOM 328 CG LEU A 25 0.553 0.472 12.850 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.073 -0.853 12.317 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.066 0.720 14.261 1.00 0.00 C ATOM 0 H LEU A 25 -1.481 2.454 11.841 1.00 0.00 H new ATOM 0 HA LEU A 25 0.943 3.287 13.281 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.576 1.406 10.926 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.045 1.637 11.853 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.535 0.424 12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.775 -1.658 12.989 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.657 -1.035 11.326 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.161 -0.818 12.252 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.769 -0.107 14.907 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.153 0.796 14.245 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.643 1.649 14.644 1.00 0.00 H new ATOM 342 N CYS A 26 0.008 4.285 10.322 1.00 0.00 N ATOM 343 CA CYS A 26 0.281 5.242 9.257 1.00 0.00 C ATOM 344 C CYS A 26 0.322 6.666 9.802 1.00 0.00 C ATOM 345 O CYS A 26 -0.515 7.055 10.617 1.00 0.00 O ATOM 346 CB CYS A 26 -0.779 5.133 8.160 1.00 0.00 C ATOM 347 SG CYS A 26 -2.340 5.954 8.559 1.00 0.00 S ATOM 0 H CYS A 26 -0.906 3.837 10.262 1.00 0.00 H new ATOM 0 HA CYS A 26 1.257 5.007 8.833 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.380 5.561 7.240 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.975 4.079 7.962 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.631 5.749 9.809 1.00 0.00 H new ATOM 353 N THR A 27 1.303 7.440 9.348 1.00 0.00 N ATOM 354 CA THR A 27 1.456 8.820 9.792 1.00 0.00 C ATOM 355 C THR A 27 1.160 9.798 8.660 1.00 0.00 C ATOM 356 O THR A 27 1.165 9.424 7.488 1.00 0.00 O ATOM 357 CB THR A 27 2.876 9.084 10.326 1.00 0.00 C ATOM 358 OG1 THR A 27 3.833 8.926 9.272 1.00 0.00 O ATOM 359 CG2 THR A 27 3.211 8.137 11.467 1.00 0.00 C ATOM 0 H THR A 27 2.004 7.134 8.673 1.00 0.00 H new ATOM 0 HA THR A 27 0.739 8.974 10.598 1.00 0.00 H new ATOM 0 HB THR A 27 2.914 10.107 10.701 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.733 9.097 9.619 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.219 8.343 11.827 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.499 8.280 12.280 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.156 7.107 11.113 1.00 0.00 H new ATOM 367 N ALA A 28 0.903 11.051 9.020 1.00 0.00 N ATOM 368 CA ALA A 28 0.608 12.083 8.034 1.00 0.00 C ATOM 369 C ALA A 28 1.495 13.307 8.237 1.00 0.00 C ATOM 370 O ALA A 28 1.701 13.755 9.365 1.00 0.00 O ATOM 371 CB ALA A 28 -0.860 12.475 8.104 1.00 0.00 C ATOM 0 H ALA A 28 0.893 11.376 9.987 1.00 0.00 H new ATOM 0 HA ALA A 28 0.817 11.676 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.066 13.247 7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.480 11.602 7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.087 12.858 9.099 1.00 0.00 H new ATOM 377 N SER A 29 2.018 13.842 7.139 1.00 0.00 N ATOM 378 CA SER A 29 2.887 15.012 7.198 1.00 0.00 C ATOM 379 C SER A 29 2.454 16.062 6.178 1.00 0.00 C ATOM 380 O SER A 29 1.691 15.771 5.257 1.00 0.00 O ATOM 381 CB SER A 29 4.340 14.607 6.945 1.00 0.00 C ATOM 382 OG SER A 29 5.237 15.509 7.570 1.00 0.00 O ATOM 0 H SER A 29 1.855 13.484 6.198 1.00 0.00 H new ATOM 0 HA SER A 29 2.806 15.445 8.195 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.511 13.599 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.532 14.582 5.872 1.00 0.00 H new ATOM 0 HG SER A 29 5.142 16.397 7.167 1.00 0.00 H new ATOM 388 N HIS A 30 2.948 17.284 6.351 1.00 0.00 N ATOM 389 CA HIS A 30 2.614 18.378 5.446 1.00 0.00 C ATOM 390 C HIS A 30 2.784 17.951 3.991 1.00 0.00 C ATOM 391 O HIS A 30 1.826 17.953 3.218 1.00 0.00 O ATOM 392 CB HIS A 30 3.493 19.595 5.738 1.00 0.00 C ATOM 393 CG HIS A 30 4.942 19.260 5.914 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.440 18.647 7.044 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.001 19.454 5.094 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.744 18.480 6.913 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.110 18.961 5.738 1.00 0.00 N ATOM 0 H HIS A 30 3.580 17.541 7.109 1.00 0.00 H new ATOM 0 HA HIS A 30 1.570 18.645 5.608 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.391 20.311 4.922 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.130 20.087 6.641 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.979 19.911 4.116 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.399 18.027 7.642 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.061 18.966 5.369 1.00 0.00 H new ATOM 406 N ASP A 31 4.007 17.586 3.626 1.00 0.00 N ATOM 407 CA ASP A 31 4.302 17.156 2.264 1.00 0.00 C ATOM 408 C ASP A 31 4.833 15.726 2.248 1.00 0.00 C ATOM 409 O ASP A 31 5.599 15.346 1.362 1.00 0.00 O ATOM 410 CB ASP A 31 5.319 18.098 1.618 1.00 0.00 C ATOM 411 CG ASP A 31 5.699 17.666 0.215 1.00 0.00 C ATOM 412 OD1 ASP A 31 4.921 17.944 -0.722 1.00 0.00 O ATOM 413 OD2 ASP A 31 6.773 17.049 0.053 1.00 0.00 O ATOM 0 H ASP A 31 4.811 17.579 4.254 1.00 0.00 H new ATOM 0 HA ASP A 31 3.375 17.186 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.906 19.106 1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.215 18.140 2.237 1.00 0.00 H new ATOM 418 N THR A 32 4.422 14.936 3.236 1.00 0.00 N ATOM 419 CA THR A 32 4.858 13.549 3.337 1.00 0.00 C ATOM 420 C THR A 32 3.841 12.708 4.099 1.00 0.00 C ATOM 421 O THR A 32 3.105 13.221 4.943 1.00 0.00 O ATOM 422 CB THR A 32 6.225 13.440 4.038 1.00 0.00 C ATOM 423 OG1 THR A 32 6.990 14.628 3.808 1.00 0.00 O ATOM 424 CG2 THR A 32 6.996 12.229 3.534 1.00 0.00 C ATOM 0 H THR A 32 3.788 15.234 3.977 1.00 0.00 H new ATOM 0 HA THR A 32 4.949 13.171 2.319 1.00 0.00 H new ATOM 0 HB THR A 32 6.052 13.322 5.108 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.803 14.402 3.310 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.958 12.173 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.424 11.323 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.159 12.322 2.460 1.00 0.00 H new ATOM 432 N ILE A 33 3.805 11.414 3.797 1.00 0.00 N ATOM 433 CA ILE A 33 2.878 10.502 4.455 1.00 0.00 C ATOM 434 C ILE A 33 3.403 9.071 4.427 1.00 0.00 C ATOM 435 O ILE A 33 3.755 8.547 3.369 1.00 0.00 O ATOM 436 CB ILE A 33 1.487 10.540 3.796 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.821 11.897 4.038 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.616 9.414 4.332 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.602 11.971 3.529 1.00 0.00 C ATOM 0 H ILE A 33 4.407 10.974 3.101 1.00 0.00 H new ATOM 0 HA ILE A 33 2.789 10.834 5.489 1.00 0.00 H new ATOM 0 HB ILE A 33 1.606 10.401 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.828 12.110 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.412 12.674 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.364 9.454 3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.086 8.455 4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.501 9.525 5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.011 12.960 3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.614 11.789 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.208 11.217 4.031 1.00 0.00 H new ATOM 451 N THR A 34 3.451 8.440 5.596 1.00 0.00 N ATOM 452 CA THR A 34 3.932 7.069 5.706 1.00 0.00 C ATOM 453 C THR A 34 2.778 6.099 5.936 1.00 0.00 C ATOM 454 O THR A 34 2.061 6.196 6.932 1.00 0.00 O ATOM 455 CB THR A 34 4.949 6.920 6.853 1.00 0.00 C ATOM 456 OG1 THR A 34 5.980 7.906 6.724 1.00 0.00 O ATOM 457 CG2 THR A 34 5.567 5.530 6.851 1.00 0.00 C ATOM 0 H THR A 34 3.162 8.857 6.481 1.00 0.00 H new ATOM 0 HA THR A 34 4.423 6.830 4.763 1.00 0.00 H new ATOM 0 HB THR A 34 4.423 7.065 7.797 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.622 7.806 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.282 5.448 7.670 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.783 4.783 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.079 5.361 5.904 1.00 0.00 H new ATOM 465 N VAL A 35 2.605 5.162 5.009 1.00 0.00 N ATOM 466 CA VAL A 35 1.540 4.172 5.112 1.00 0.00 C ATOM 467 C VAL A 35 2.097 2.800 5.475 1.00 0.00 C ATOM 468 O VAL A 35 2.916 2.239 4.746 1.00 0.00 O ATOM 469 CB VAL A 35 0.748 4.061 3.796 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.326 2.990 3.907 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.137 5.404 3.427 1.00 0.00 C ATOM 0 H VAL A 35 3.189 5.068 4.178 1.00 0.00 H new ATOM 0 HA VAL A 35 0.870 4.509 5.903 1.00 0.00 H new ATOM 0 HB VAL A 35 1.436 3.770 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.875 2.926 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.140 2.028 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.014 3.247 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.419 5.307 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.538 5.727 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.929 6.142 3.302 1.00 0.00 H new ATOM 481 N HIS A 36 1.647 2.265 6.605 1.00 0.00 N ATOM 482 CA HIS A 36 2.100 0.957 7.065 1.00 0.00 C ATOM 483 C HIS A 36 1.071 -0.121 6.737 1.00 0.00 C ATOM 484 O HIS A 36 -0.094 -0.017 7.121 1.00 0.00 O ATOM 485 CB HIS A 36 2.364 0.985 8.570 1.00 0.00 C ATOM 486 CG HIS A 36 3.453 1.932 8.970 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.479 1.583 9.822 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.674 3.222 8.626 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.283 2.618 9.988 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.817 3.626 9.272 1.00 0.00 N ATOM 0 H HIS A 36 0.969 2.717 7.219 1.00 0.00 H new ATOM 0 HA HIS A 36 3.028 0.719 6.546 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.445 1.262 9.087 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.627 -0.019 8.903 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.599 0.668 10.257 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.065 3.822 7.966 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.170 2.637 10.604 1.00 0.00 H new ATOM 499 N TRP A 37 1.508 -1.153 6.025 1.00 0.00 N ATOM 500 CA TRP A 37 0.624 -2.249 5.645 1.00 0.00 C ATOM 501 C TRP A 37 1.111 -3.569 6.231 1.00 0.00 C ATOM 502 O TRP A 37 2.291 -3.904 6.133 1.00 0.00 O ATOM 503 CB TRP A 37 0.535 -2.355 4.121 1.00 0.00 C ATOM 504 CG TRP A 37 1.874 -2.383 3.449 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.709 -3.457 3.330 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.532 -1.287 2.804 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.847 -3.095 2.651 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.763 -1.769 2.316 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.201 0.053 2.589 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.660 -0.957 1.629 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.094 0.859 1.907 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.311 0.352 1.433 1.00 0.00 C ATOM 0 H TRP A 37 2.469 -1.254 5.699 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.368 -2.039 6.046 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.014 -3.259 3.858 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.038 -1.511 3.738 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.505 -4.446 3.713 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.628 -3.713 2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.264 0.452 2.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.599 -1.346 1.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.849 1.897 1.737 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.987 1.007 0.903 1.00 0.00 H new ATOM 523 N ILE A 38 0.195 -4.315 6.840 1.00 0.00 N ATOM 524 CA ILE A 38 0.532 -5.600 7.440 1.00 0.00 C ATOM 525 C ILE A 38 0.122 -6.755 6.533 1.00 0.00 C ATOM 526 O ILE A 38 -0.931 -6.714 5.897 1.00 0.00 O ATOM 527 CB ILE A 38 -0.144 -5.774 8.813 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.248 -7.118 9.431 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.656 -5.669 8.676 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.578 -7.087 10.150 1.00 0.00 C ATOM 0 H ILE A 38 -0.786 -4.051 6.931 1.00 0.00 H new ATOM 0 HA ILE A 38 1.614 -5.613 7.573 1.00 0.00 H new ATOM 0 HB ILE A 38 0.198 -4.977 9.474 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.528 -7.427 10.132 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.286 -7.873 8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.120 -5.794 9.655 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.918 -4.691 8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.015 -6.447 8.002 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.791 -8.073 10.563 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.365 -6.809 9.448 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.538 -6.356 10.958 1.00 0.00 H new ATOM 542 N SER A 39 0.960 -7.785 6.481 1.00 0.00 N ATOM 543 CA SER A 39 0.686 -8.952 5.650 1.00 0.00 C ATOM 544 C SER A 39 0.977 -10.241 6.412 1.00 0.00 C ATOM 545 O SER A 39 1.937 -10.319 7.180 1.00 0.00 O ATOM 546 CB SER A 39 1.523 -8.902 4.371 1.00 0.00 C ATOM 547 OG SER A 39 2.904 -8.782 4.669 1.00 0.00 O ATOM 0 H SER A 39 1.834 -7.836 7.004 1.00 0.00 H new ATOM 0 HA SER A 39 -0.371 -8.938 5.384 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.351 -9.805 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.206 -8.059 3.758 1.00 0.00 H new ATOM 0 HG SER A 39 3.428 -8.914 3.851 1.00 0.00 H new ATOM 553 N ASP A 40 0.142 -11.251 6.194 1.00 0.00 N ATOM 554 CA ASP A 40 0.309 -12.539 6.858 1.00 0.00 C ATOM 555 C ASP A 40 1.156 -13.482 6.010 1.00 0.00 C ATOM 556 O ASP A 40 1.481 -14.591 6.434 1.00 0.00 O ATOM 557 CB ASP A 40 -1.055 -13.172 7.140 1.00 0.00 C ATOM 558 CG ASP A 40 -0.962 -14.667 7.371 1.00 0.00 C ATOM 559 OD1 ASP A 40 -0.153 -15.087 8.224 1.00 0.00 O ATOM 560 OD2 ASP A 40 -1.699 -15.417 6.698 1.00 0.00 O ATOM 0 H ASP A 40 -0.658 -11.203 5.563 1.00 0.00 H new ATOM 0 HA ASP A 40 0.824 -12.369 7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.498 -12.699 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.723 -12.978 6.301 1.00 0.00 H new ATOM 565 N ASP A 41 1.510 -13.034 4.811 1.00 0.00 N ATOM 566 CA ASP A 41 2.319 -13.838 3.902 1.00 0.00 C ATOM 567 C ASP A 41 2.704 -13.036 2.663 1.00 0.00 C ATOM 568 O ASP A 41 1.844 -12.485 1.978 1.00 0.00 O ATOM 569 CB ASP A 41 1.561 -15.102 3.492 1.00 0.00 C ATOM 570 CG ASP A 41 2.482 -16.287 3.281 1.00 0.00 C ATOM 571 OD1 ASP A 41 3.576 -16.093 2.712 1.00 0.00 O ATOM 572 OD2 ASP A 41 2.109 -17.408 3.685 1.00 0.00 O ATOM 0 H ASP A 41 1.250 -12.118 4.445 1.00 0.00 H new ATOM 0 HA ASP A 41 3.231 -14.125 4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.828 -15.348 4.260 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.007 -14.908 2.573 1.00 0.00 H new ATOM 577 N GLU A 42 4.002 -12.975 2.384 1.00 0.00 N ATOM 578 CA GLU A 42 4.501 -12.239 1.228 1.00 0.00 C ATOM 579 C GLU A 42 5.529 -13.064 0.459 1.00 0.00 C ATOM 580 O GLU A 42 6.117 -12.592 -0.514 1.00 0.00 O ATOM 581 CB GLU A 42 5.122 -10.912 1.670 1.00 0.00 C ATOM 582 CG GLU A 42 6.270 -11.075 2.652 1.00 0.00 C ATOM 583 CD GLU A 42 6.907 -9.752 3.029 1.00 0.00 C ATOM 584 OE1 GLU A 42 6.433 -9.120 3.997 1.00 0.00 O ATOM 585 OE2 GLU A 42 7.879 -9.348 2.357 1.00 0.00 O ATOM 0 H GLU A 42 4.727 -13.426 2.942 1.00 0.00 H new ATOM 0 HA GLU A 42 3.658 -12.035 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.480 -10.377 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.350 -10.293 2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.905 -11.568 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.027 -11.727 2.216 1.00 0.00 H new ATOM 592 N PHE A 43 5.740 -14.298 0.903 1.00 0.00 N ATOM 593 CA PHE A 43 6.698 -15.189 0.259 1.00 0.00 C ATOM 594 C PHE A 43 6.350 -15.388 -1.213 1.00 0.00 C ATOM 595 O PHE A 43 7.233 -15.576 -2.051 1.00 0.00 O ATOM 596 CB PHE A 43 6.731 -16.541 0.975 1.00 0.00 C ATOM 597 CG PHE A 43 7.682 -16.581 2.137 1.00 0.00 C ATOM 598 CD1 PHE A 43 7.472 -15.780 3.248 1.00 0.00 C ATOM 599 CD2 PHE A 43 8.785 -17.419 2.118 1.00 0.00 C ATOM 600 CE1 PHE A 43 8.345 -15.815 4.320 1.00 0.00 C ATOM 601 CE2 PHE A 43 9.661 -17.458 3.186 1.00 0.00 C ATOM 602 CZ PHE A 43 9.441 -16.654 4.288 1.00 0.00 C ATOM 0 H PHE A 43 5.260 -14.704 1.706 1.00 0.00 H new ATOM 0 HA PHE A 43 7.684 -14.729 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.728 -16.781 1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.011 -17.315 0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.617 -15.121 3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.962 -18.049 1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.170 -15.187 5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.517 -18.116 3.159 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.125 -16.682 5.123 1.00 0.00 H new ATOM 612 N SER A 44 5.058 -15.347 -1.520 1.00 0.00 N ATOM 613 CA SER A 44 4.592 -15.527 -2.890 1.00 0.00 C ATOM 614 C SER A 44 4.617 -14.205 -3.652 1.00 0.00 C ATOM 615 O SER A 44 4.867 -14.176 -4.857 1.00 0.00 O ATOM 616 CB SER A 44 3.175 -16.105 -2.897 1.00 0.00 C ATOM 617 OG SER A 44 2.743 -16.380 -4.219 1.00 0.00 O ATOM 0 H SER A 44 4.315 -15.191 -0.839 1.00 0.00 H new ATOM 0 HA SER A 44 5.265 -16.225 -3.387 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.149 -17.020 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.489 -15.401 -2.426 1.00 0.00 H new ATOM 0 HG SER A 44 1.909 -16.893 -4.190 1.00 0.00 H new ATOM 623 N ILE A 45 4.357 -13.114 -2.939 1.00 0.00 N ATOM 624 CA ILE A 45 4.351 -11.789 -3.546 1.00 0.00 C ATOM 625 C ILE A 45 5.744 -11.401 -4.031 1.00 0.00 C ATOM 626 O ILE A 45 6.659 -11.209 -3.231 1.00 0.00 O ATOM 627 CB ILE A 45 3.846 -10.720 -2.559 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.411 -11.030 -2.129 1.00 0.00 C ATOM 629 CG2 ILE A 45 3.930 -9.337 -3.188 1.00 0.00 C ATOM 630 CD1 ILE A 45 1.926 -10.170 -0.982 1.00 0.00 C ATOM 0 H ILE A 45 4.148 -13.122 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 45 3.672 -11.834 -4.397 1.00 0.00 H new ATOM 0 HB ILE A 45 4.482 -10.734 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.747 -10.893 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.345 -12.079 -1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.570 -8.592 -2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.965 -9.118 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.315 -9.308 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.902 -10.444 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.567 -10.325 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.959 -9.121 -1.275 1.00 0.00 H new ATOM 642 N SER A 46 5.895 -11.284 -5.346 1.00 0.00 N ATOM 643 CA SER A 46 7.177 -10.920 -5.939 1.00 0.00 C ATOM 644 C SER A 46 7.548 -9.482 -5.588 1.00 0.00 C ATOM 645 O SER A 46 8.727 -9.137 -5.502 1.00 0.00 O ATOM 646 CB SER A 46 7.128 -11.090 -7.458 1.00 0.00 C ATOM 647 OG SER A 46 8.403 -11.425 -7.976 1.00 0.00 O ATOM 0 H SER A 46 5.146 -11.436 -6.021 1.00 0.00 H new ATOM 0 HA SER A 46 7.939 -11.584 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.411 -11.869 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.776 -10.167 -7.919 1.00 0.00 H new ATOM 0 HG SER A 46 8.344 -11.529 -8.949 1.00 0.00 H new ATOM 653 N SER A 47 6.533 -8.647 -5.389 1.00 0.00 N ATOM 654 CA SER A 47 6.751 -7.246 -5.052 1.00 0.00 C ATOM 655 C SER A 47 5.433 -6.557 -4.711 1.00 0.00 C ATOM 656 O SER A 47 4.362 -7.003 -5.125 1.00 0.00 O ATOM 657 CB SER A 47 7.433 -6.520 -6.213 1.00 0.00 C ATOM 658 OG SER A 47 6.632 -6.561 -7.381 1.00 0.00 O ATOM 0 H SER A 47 5.552 -8.917 -5.455 1.00 0.00 H new ATOM 0 HA SER A 47 7.399 -7.206 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.624 -5.483 -5.936 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.400 -6.980 -6.415 1.00 0.00 H new ATOM 0 HG SER A 47 7.089 -6.089 -8.108 1.00 0.00 H new ATOM 664 N TYR A 48 5.519 -5.469 -3.955 1.00 0.00 N ATOM 665 CA TYR A 48 4.334 -4.719 -3.556 1.00 0.00 C ATOM 666 C TYR A 48 4.158 -3.476 -4.423 1.00 0.00 C ATOM 667 O TYR A 48 5.123 -2.955 -4.982 1.00 0.00 O ATOM 668 CB TYR A 48 4.430 -4.318 -2.083 1.00 0.00 C ATOM 669 CG TYR A 48 3.802 -5.320 -1.141 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.430 -5.544 -1.147 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.579 -6.042 -0.244 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.851 -6.457 -0.288 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.009 -6.959 0.618 1.00 0.00 C ATOM 674 CZ TYR A 48 2.645 -7.163 0.593 1.00 0.00 C ATOM 675 OH TYR A 48 2.073 -8.074 1.451 1.00 0.00 O ATOM 0 H TYR A 48 6.398 -5.086 -3.606 1.00 0.00 H new ATOM 0 HA TYR A 48 3.465 -5.362 -3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.479 -4.190 -1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.947 -3.351 -1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.806 -4.994 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.647 -5.884 -0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.783 -6.618 -0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.628 -7.513 1.308 1.00 0.00 H new ATOM 0 HH TYR A 48 2.770 -8.485 2.004 1.00 0.00 H new ATOM 685 N GLU A 49 2.919 -3.005 -4.527 1.00 0.00 N ATOM 686 CA GLU A 49 2.617 -1.823 -5.325 1.00 0.00 C ATOM 687 C GLU A 49 1.799 -0.817 -4.520 1.00 0.00 C ATOM 688 O GLU A 49 0.800 -1.173 -3.892 1.00 0.00 O ATOM 689 CB GLU A 49 1.855 -2.217 -6.593 1.00 0.00 C ATOM 690 CG GLU A 49 1.941 -1.182 -7.701 1.00 0.00 C ATOM 691 CD GLU A 49 1.612 -1.758 -9.065 1.00 0.00 C ATOM 692 OE1 GLU A 49 2.344 -2.660 -9.521 1.00 0.00 O ATOM 693 OE2 GLU A 49 0.620 -1.306 -9.675 1.00 0.00 O ATOM 0 H GLU A 49 2.109 -3.424 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 49 3.561 -1.356 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.246 -3.165 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.807 -2.381 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.256 -0.363 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.946 -0.760 -7.722 1.00 0.00 H new ATOM 700 N LEU A 50 2.230 0.439 -4.542 1.00 0.00 N ATOM 701 CA LEU A 50 1.539 1.498 -3.814 1.00 0.00 C ATOM 702 C LEU A 50 0.700 2.351 -4.759 1.00 0.00 C ATOM 703 O LEU A 50 1.045 2.520 -5.928 1.00 0.00 O ATOM 704 CB LEU A 50 2.548 2.377 -3.074 1.00 0.00 C ATOM 705 CG LEU A 50 1.975 3.291 -1.990 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.604 2.486 -0.754 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.969 4.387 -1.636 1.00 0.00 C ATOM 0 H LEU A 50 3.055 0.749 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 50 0.873 1.031 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.297 1.730 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.066 2.996 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 50 1.071 3.760 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.198 3.153 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.856 1.738 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.492 1.989 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.544 5.028 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.891 3.937 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.185 4.983 -2.523 1.00 0.00 H new ATOM 719 N GLN A 51 -0.401 2.888 -4.244 1.00 0.00 N ATOM 720 CA GLN A 51 -1.288 3.726 -5.043 1.00 0.00 C ATOM 721 C GLN A 51 -1.884 4.847 -4.199 1.00 0.00 C ATOM 722 O GLN A 51 -2.653 4.598 -3.271 1.00 0.00 O ATOM 723 CB GLN A 51 -2.407 2.882 -5.655 1.00 0.00 C ATOM 724 CG GLN A 51 -1.905 1.772 -6.565 1.00 0.00 C ATOM 725 CD GLN A 51 -3.032 1.021 -7.245 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.190 1.437 -7.197 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.699 -0.094 -7.885 1.00 0.00 N ATOM 0 H GLN A 51 -0.700 2.758 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.700 4.173 -5.845 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.999 2.442 -4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.072 3.533 -6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.248 2.198 -7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.307 1.072 -5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.727 -0.403 -7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.415 -0.642 -8.362 1.00 0.00 H new ATOM 736 N TYR A 52 -1.524 6.083 -4.527 1.00 0.00 N ATOM 737 CA TYR A 52 -2.021 7.243 -3.797 1.00 0.00 C ATOM 738 C TYR A 52 -2.595 8.284 -4.754 1.00 0.00 C ATOM 739 O TYR A 52 -2.139 8.419 -5.890 1.00 0.00 O ATOM 740 CB TYR A 52 -0.900 7.865 -2.961 1.00 0.00 C ATOM 741 CG TYR A 52 0.278 8.336 -3.784 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.141 7.427 -4.383 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.527 9.691 -3.963 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.219 7.853 -5.134 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.602 10.127 -4.714 1.00 0.00 C ATOM 746 CZ TYR A 52 2.445 9.204 -5.297 1.00 0.00 C ATOM 747 OH TYR A 52 3.517 9.632 -6.046 1.00 0.00 O ATOM 0 H TYR A 52 -0.890 6.307 -5.294 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.818 6.908 -3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.302 8.709 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.553 7.133 -2.231 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.966 6.369 -4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.131 10.416 -3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.881 7.133 -5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.781 11.184 -4.844 1.00 0.00 H new ATOM 0 HH TYR A 52 3.534 10.612 -6.063 1.00 0.00 H new ATOM 757 N THR A 53 -3.599 9.019 -4.285 1.00 0.00 N ATOM 758 CA THR A 53 -4.236 10.048 -5.097 1.00 0.00 C ATOM 759 C THR A 53 -4.927 11.088 -4.223 1.00 0.00 C ATOM 760 O THR A 53 -5.510 10.756 -3.191 1.00 0.00 O ATOM 761 CB THR A 53 -5.269 9.439 -6.065 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.637 10.403 -7.058 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.509 8.978 -5.314 1.00 0.00 C ATOM 0 H THR A 53 -3.988 8.920 -3.347 1.00 0.00 H new ATOM 0 HA THR A 53 -3.447 10.529 -5.675 1.00 0.00 H new ATOM 0 HB THR A 53 -4.815 8.574 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.292 10.008 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.223 8.552 -6.018 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.230 8.223 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.964 9.828 -4.806 1.00 0.00 H new ATOM 771 N ILE A 54 -4.859 12.347 -4.644 1.00 0.00 N ATOM 772 CA ILE A 54 -5.480 13.435 -3.899 1.00 0.00 C ATOM 773 C ILE A 54 -7.000 13.323 -3.928 1.00 0.00 C ATOM 774 O ILE A 54 -7.609 13.263 -4.997 1.00 0.00 O ATOM 775 CB ILE A 54 -5.066 14.808 -4.460 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.583 15.068 -4.192 1.00 0.00 C ATOM 777 CG2 ILE A 54 -5.921 15.909 -3.849 1.00 0.00 C ATOM 778 CD1 ILE A 54 -2.964 16.073 -5.138 1.00 0.00 C ATOM 0 H ILE A 54 -4.380 12.638 -5.496 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.132 13.352 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.225 14.806 -5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.464 15.424 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.038 14.127 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.617 16.874 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.970 15.730 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.790 15.913 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.911 16.207 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.051 15.710 -6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.483 17.027 -5.046 1.00 0.00 H new ATOM 790 N PHE A 55 -7.609 13.298 -2.747 1.00 0.00 N ATOM 791 CA PHE A 55 -9.059 13.194 -2.637 1.00 0.00 C ATOM 792 C PHE A 55 -9.665 14.516 -2.172 1.00 0.00 C ATOM 793 O PHE A 55 -9.537 14.895 -1.007 1.00 0.00 O ATOM 794 CB PHE A 55 -9.439 12.076 -1.664 1.00 0.00 C ATOM 795 CG PHE A 55 -10.918 11.818 -1.595 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.737 12.612 -0.809 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.488 10.782 -2.318 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.097 12.376 -0.743 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.848 10.542 -2.257 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.653 11.341 -1.469 1.00 0.00 C ATOM 0 H PHE A 55 -7.121 13.348 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.458 12.958 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.932 11.158 -1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.076 12.333 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.308 13.425 -0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.862 10.155 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.725 13.000 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.280 9.731 -2.825 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.716 11.157 -1.421 1.00 0.00 H new ATOM 1050 N MET A 72 -1.243 7.571 -8.723 1.00 0.00 N ATOM 1051 CA MET A 72 0.213 7.480 -8.701 1.00 0.00 C ATOM 1052 C MET A 72 0.664 6.126 -8.163 1.00 0.00 C ATOM 1053 O MET A 72 0.250 5.709 -7.080 1.00 0.00 O ATOM 1054 CB MET A 72 0.803 8.604 -7.848 1.00 0.00 C ATOM 1055 CG MET A 72 0.827 9.951 -8.551 1.00 0.00 C ATOM 1056 SD MET A 72 0.654 11.334 -7.407 1.00 0.00 S ATOM 1057 CE MET A 72 -1.034 11.106 -6.852 1.00 0.00 C ATOM 0 HA MET A 72 0.575 7.583 -9.724 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.224 8.693 -6.929 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.819 8.335 -7.560 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.763 10.053 -9.100 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.022 9.988 -9.284 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.609 12.009 -7.056 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.480 10.264 -7.381 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.041 10.906 -5.781 1.00 0.00 H new ATOM 1067 N ILE A 73 1.513 5.444 -8.924 1.00 0.00 N ATOM 1068 CA ILE A 73 2.020 4.138 -8.522 1.00 0.00 C ATOM 1069 C ILE A 73 3.535 4.166 -8.351 1.00 0.00 C ATOM 1070 O ILE A 73 4.244 4.835 -9.103 1.00 0.00 O ATOM 1071 CB ILE A 73 1.651 3.050 -9.548 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.142 3.052 -9.804 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.109 1.684 -9.059 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.292 4.055 -10.849 1.00 0.00 C ATOM 0 H ILE A 73 1.864 5.774 -9.823 1.00 0.00 H new ATOM 0 HA ILE A 73 1.553 3.898 -7.567 1.00 0.00 H new ATOM 0 HB ILE A 73 2.161 3.268 -10.487 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.166 2.055 -10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.377 3.266 -8.869 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.841 0.926 -9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.190 1.690 -8.922 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.624 1.456 -8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.373 4.001 -10.979 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.015 5.059 -10.527 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.199 3.829 -11.796 1.00 0.00 H new ATOM 1086 N VAL A 74 4.027 3.432 -7.357 1.00 0.00 N ATOM 1087 CA VAL A 74 5.458 3.370 -7.088 1.00 0.00 C ATOM 1088 C VAL A 74 5.923 1.928 -6.920 1.00 0.00 C ATOM 1089 O VAL A 74 5.860 1.352 -5.833 1.00 0.00 O ATOM 1090 CB VAL A 74 5.828 4.168 -5.824 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.255 3.862 -5.397 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.642 5.659 -6.062 1.00 0.00 C ATOM 0 H VAL A 74 3.455 2.872 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 74 5.961 3.814 -7.947 1.00 0.00 H new ATOM 0 HB VAL A 74 5.161 3.866 -5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.498 4.435 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.350 2.797 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.941 4.134 -6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.908 6.208 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.283 5.979 -6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.601 5.860 -6.315 1.00 0.00 H new ATOM 1102 N PRO A 75 6.403 1.328 -8.019 1.00 0.00 N ATOM 1103 CA PRO A 75 6.890 -0.055 -8.019 1.00 0.00 C ATOM 1104 C PRO A 75 8.195 -0.209 -7.246 1.00 0.00 C ATOM 1105 O PRO A 75 8.704 0.751 -6.670 1.00 0.00 O ATOM 1106 CB PRO A 75 7.109 -0.354 -9.504 1.00 0.00 C ATOM 1107 CG PRO A 75 7.344 0.978 -10.128 1.00 0.00 C ATOM 1108 CD PRO A 75 6.508 1.954 -9.348 1.00 0.00 C ATOM 0 HA PRO A 75 6.190 -0.734 -7.533 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.961 -1.017 -9.653 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.241 -0.848 -9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.399 1.248 -10.086 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.058 0.972 -11.180 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.981 2.935 -9.294 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.528 2.097 -9.803 1.00 0.00 H new ATOM 1116 N ASN A 76 8.732 -1.425 -7.238 1.00 0.00 N ATOM 1117 CA ASN A 76 9.979 -1.705 -6.535 1.00 0.00 C ATOM 1118 C ASN A 76 9.828 -1.453 -5.038 1.00 0.00 C ATOM 1119 O ASN A 76 10.642 -0.757 -4.431 1.00 0.00 O ATOM 1120 CB ASN A 76 11.111 -0.843 -7.098 1.00 0.00 C ATOM 1121 CG ASN A 76 11.839 -1.519 -8.243 1.00 0.00 C ATOM 1122 OD1 ASN A 76 12.166 -2.704 -8.172 1.00 0.00 O ATOM 1123 ND2 ASN A 76 12.096 -0.768 -9.307 1.00 0.00 N ATOM 0 H ASN A 76 8.323 -2.232 -7.710 1.00 0.00 H new ATOM 0 HA ASN A 76 10.224 -2.757 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.703 0.108 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.821 -0.617 -6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.583 -1.169 -10.109 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.807 0.210 -9.323 1.00 0.00 H new ATOM 1130 N ILE A 77 8.782 -2.024 -4.450 1.00 0.00 N ATOM 1131 CA ILE A 77 8.526 -1.862 -3.024 1.00 0.00 C ATOM 1132 C ILE A 77 8.770 -3.165 -2.271 1.00 0.00 C ATOM 1133 O ILE A 77 7.976 -4.102 -2.354 1.00 0.00 O ATOM 1134 CB ILE A 77 7.083 -1.393 -2.761 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.799 -0.096 -3.521 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.852 -1.201 -1.270 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.652 0.704 -2.944 1.00 0.00 C ATOM 0 H ILE A 77 8.099 -2.602 -4.939 1.00 0.00 H new ATOM 0 HA ILE A 77 9.218 -1.101 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 77 6.396 -2.160 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.698 0.520 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.578 -0.335 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.828 -0.869 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.018 -2.145 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.544 -0.451 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.508 1.610 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.741 0.105 -2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.879 0.974 -1.913 1.00 0.00 H new ATOM 1149 N LYS A 78 9.874 -3.217 -1.533 1.00 0.00 N ATOM 1150 CA LYS A 78 10.223 -4.404 -0.761 1.00 0.00 C ATOM 1151 C LYS A 78 10.249 -4.093 0.732 1.00 0.00 C ATOM 1152 O LYS A 78 11.102 -4.595 1.465 1.00 0.00 O ATOM 1153 CB LYS A 78 11.585 -4.944 -1.204 1.00 0.00 C ATOM 1154 CG LYS A 78 11.704 -5.136 -2.706 1.00 0.00 C ATOM 1155 CD LYS A 78 11.291 -6.538 -3.123 1.00 0.00 C ATOM 1156 CE LYS A 78 9.807 -6.609 -3.448 1.00 0.00 C ATOM 1157 NZ LYS A 78 8.995 -6.974 -2.254 1.00 0.00 N ATOM 0 H LYS A 78 10.542 -2.451 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 78 9.462 -5.162 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.364 -4.258 -0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.767 -5.898 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.079 -4.404 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.732 -4.951 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.870 -6.845 -3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.523 -7.240 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.473 -5.646 -3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.643 -7.343 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.441 -7.830 -2.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.626 -7.156 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.351 -6.192 -2.020 1.00 0.00 H new ATOM 1171 N GLN A 79 9.309 -3.265 1.176 1.00 0.00 N ATOM 1172 CA GLN A 79 9.225 -2.888 2.582 1.00 0.00 C ATOM 1173 C GLN A 79 7.788 -2.979 3.085 1.00 0.00 C ATOM 1174 O GLN A 79 6.884 -3.358 2.343 1.00 0.00 O ATOM 1175 CB GLN A 79 9.761 -1.470 2.786 1.00 0.00 C ATOM 1176 CG GLN A 79 8.946 -0.404 2.073 1.00 0.00 C ATOM 1177 CD GLN A 79 9.301 -0.282 0.604 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.022 -1.117 0.057 1.00 0.00 O ATOM 1179 NE2 GLN A 79 8.795 0.761 -0.043 1.00 0.00 N ATOM 0 H GLN A 79 8.595 -2.843 0.583 1.00 0.00 H new ATOM 0 HA GLN A 79 9.836 -3.585 3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.780 -1.248 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.791 -1.425 2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 79 7.886 -0.639 2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.105 0.557 2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.202 1.428 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.999 0.895 -1.033 1.00 0.00 H new ATOM 1188 N ASN A 80 7.586 -2.628 4.351 1.00 0.00 N ATOM 1189 CA ASN A 80 6.259 -2.670 4.953 1.00 0.00 C ATOM 1190 C ASN A 80 5.706 -1.262 5.151 1.00 0.00 C ATOM 1191 O ASN A 80 4.712 -1.066 5.851 1.00 0.00 O ATOM 1192 CB ASN A 80 6.308 -3.404 6.295 1.00 0.00 C ATOM 1193 CG ASN A 80 6.648 -4.874 6.138 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.759 -5.226 5.741 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.691 -5.739 6.450 1.00 0.00 N ATOM 0 H ASN A 80 8.324 -2.311 4.979 1.00 0.00 H new ATOM 0 HA ASN A 80 5.597 -3.209 4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.048 -2.929 6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.344 -3.308 6.794 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.862 -6.741 6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.785 -5.402 6.775 1.00 0.00 H new ATOM 1202 N HIS A 81 6.356 -0.284 4.529 1.00 0.00 N ATOM 1203 CA HIS A 81 5.929 1.107 4.635 1.00 0.00 C ATOM 1204 C HIS A 81 6.728 1.994 3.686 1.00 0.00 C ATOM 1205 O HIS A 81 7.956 2.045 3.753 1.00 0.00 O ATOM 1206 CB HIS A 81 6.090 1.603 6.073 1.00 0.00 C ATOM 1207 CG HIS A 81 7.358 1.147 6.726 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.390 0.196 7.724 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.644 1.515 6.516 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.641 0.001 8.102 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.421 0.788 7.384 1.00 0.00 N ATOM 0 H HIS A 81 7.180 -0.429 3.946 1.00 0.00 H new ATOM 0 HA HIS A 81 4.877 1.161 4.355 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.060 2.693 6.078 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.242 1.258 6.665 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.993 2.244 5.800 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.970 -0.686 8.868 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.436 0.847 7.462 1.00 0.00 H new ATOM 1220 N TYR A 82 6.023 2.692 2.802 1.00 0.00 N ATOM 1221 CA TYR A 82 6.667 3.575 1.837 1.00 0.00 C ATOM 1222 C TYR A 82 6.316 5.034 2.115 1.00 0.00 C ATOM 1223 O TYR A 82 5.147 5.422 2.084 1.00 0.00 O ATOM 1224 CB TYR A 82 6.249 3.201 0.414 1.00 0.00 C ATOM 1225 CG TYR A 82 6.914 4.041 -0.653 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.644 5.399 -0.764 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.811 3.476 -1.550 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.249 6.170 -1.738 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.422 4.239 -2.526 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.137 5.586 -2.616 1.00 0.00 C ATOM 1231 OH TYR A 82 8.742 6.350 -3.588 1.00 0.00 O ATOM 0 H TYR A 82 5.006 2.663 2.734 1.00 0.00 H new ATOM 0 HA TYR A 82 7.746 3.454 1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.486 2.152 0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.168 3.303 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.949 5.860 -0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.035 2.422 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.027 7.224 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.119 3.784 -3.215 1.00 0.00 H new ATOM 0 HH TYR A 82 9.340 5.786 -4.122 1.00 0.00 H new ATOM 1241 N THR A 83 7.338 5.840 2.387 1.00 0.00 N ATOM 1242 CA THR A 83 7.140 7.256 2.671 1.00 0.00 C ATOM 1243 C THR A 83 6.984 8.058 1.384 1.00 0.00 C ATOM 1244 O THR A 83 7.939 8.225 0.626 1.00 0.00 O ATOM 1245 CB THR A 83 8.313 7.834 3.485 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.518 7.056 4.669 1.00 0.00 O ATOM 1247 CG2 THR A 83 8.045 9.283 3.864 1.00 0.00 C ATOM 0 H THR A 83 8.311 5.536 2.417 1.00 0.00 H new ATOM 0 HA THR A 83 6.225 7.337 3.258 1.00 0.00 H new ATOM 0 HB THR A 83 9.210 7.796 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.266 7.429 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.887 9.670 4.438 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.918 9.878 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.138 9.340 4.466 1.00 0.00 H new ATOM 1255 N VAL A 84 5.774 8.554 1.144 1.00 0.00 N ATOM 1256 CA VAL A 84 5.494 9.341 -0.050 1.00 0.00 C ATOM 1257 C VAL A 84 5.758 10.823 0.193 1.00 0.00 C ATOM 1258 O VAL A 84 5.020 11.484 0.925 1.00 0.00 O ATOM 1259 CB VAL A 84 4.036 9.160 -0.513 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.766 9.985 -1.762 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.735 7.690 -0.759 1.00 0.00 C ATOM 0 H VAL A 84 4.972 8.424 1.761 1.00 0.00 H new ATOM 0 HA VAL A 84 6.163 8.979 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 84 3.375 9.515 0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.731 9.844 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.940 11.039 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.433 9.663 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.701 7.580 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.402 7.306 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.886 7.128 0.163 1.00 0.00 H new ATOM 1271 N HIS A 85 6.815 11.340 -0.425 1.00 0.00 N ATOM 1272 CA HIS A 85 7.177 12.745 -0.276 1.00 0.00 C ATOM 1273 C HIS A 85 6.626 13.573 -1.433 1.00 0.00 C ATOM 1274 O HIS A 85 6.487 13.079 -2.552 1.00 0.00 O ATOM 1275 CB HIS A 85 8.696 12.898 -0.202 1.00 0.00 C ATOM 1276 CG HIS A 85 9.264 12.587 1.149 1.00 0.00 C ATOM 1277 ND1 HIS A 85 9.683 13.560 2.031 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.480 11.402 1.767 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.134 12.988 3.133 1.00 0.00 C ATOM 1280 NE2 HIS A 85 10.021 11.679 2.999 1.00 0.00 N ATOM 0 H HIS A 85 7.436 10.807 -1.034 1.00 0.00 H new ATOM 0 HA HIS A 85 6.738 13.111 0.652 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.156 12.241 -0.940 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.964 13.919 -0.473 1.00 0.00 H new ATOM 0 HD1 HIS A 85 9.650 14.565 1.859 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.267 10.422 1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.528 13.503 3.997 1.00 0.00 H new ATOM 1289 N GLY A 86 6.315 14.836 -1.156 1.00 0.00 N ATOM 1290 CA GLY A 86 5.782 15.711 -2.184 1.00 0.00 C ATOM 1291 C GLY A 86 4.267 15.768 -2.169 1.00 0.00 C ATOM 1292 O GLY A 86 3.630 15.815 -3.222 1.00 0.00 O ATOM 0 H GLY A 86 6.423 15.268 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.182 16.715 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.120 15.366 -3.161 1.00 0.00 H new ATOM 1296 N LEU A 87 3.689 15.763 -0.974 1.00 0.00 N ATOM 1297 CA LEU A 87 2.238 15.813 -0.826 1.00 0.00 C ATOM 1298 C LEU A 87 1.781 17.208 -0.411 1.00 0.00 C ATOM 1299 O LEU A 87 2.601 18.087 -0.149 1.00 0.00 O ATOM 1300 CB LEU A 87 1.775 14.784 0.207 1.00 0.00 C ATOM 1301 CG LEU A 87 2.120 13.326 -0.098 1.00 0.00 C ATOM 1302 CD1 LEU A 87 2.161 12.508 1.184 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.117 12.734 -1.078 1.00 0.00 C ATOM 0 H LEU A 87 4.202 15.725 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 87 1.791 15.576 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.210 15.046 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.693 14.866 0.313 1.00 0.00 H new ATOM 0 HG LEU A 87 3.108 13.295 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.408 11.473 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.918 12.918 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.187 12.546 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.378 11.696 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.117 12.778 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.136 13.304 -2.007 1.00 0.00 H new ATOM 1315 N GLN A 88 0.467 17.401 -0.350 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.098 18.688 0.035 1.00 0.00 C ATOM 1317 C GLN A 88 -0.454 18.705 1.518 1.00 0.00 C ATOM 1318 O GLN A 88 -0.839 17.683 2.085 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.341 18.995 -0.803 1.00 0.00 C ATOM 1320 CG GLN A 88 -1.076 19.010 -2.300 1.00 0.00 C ATOM 1321 CD GLN A 88 0.162 19.804 -2.666 1.00 0.00 C ATOM 1322 OE1 GLN A 88 0.327 20.949 -2.242 1.00 0.00 O ATOM 1323 NE2 GLN A 88 1.041 19.200 -3.457 1.00 0.00 N ATOM 0 H GLN A 88 -0.225 16.683 -0.562 1.00 0.00 H new ATOM 0 HA GLN A 88 0.654 19.455 -0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.108 18.252 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.741 19.964 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.964 17.986 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.939 19.433 -2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.864 18.251 -3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.893 19.685 -3.737 1.00 0.00 H new ATOM 1332 N SER A 89 -0.322 19.872 2.140 1.00 0.00 N ATOM 1333 CA SER A 89 -0.625 20.021 3.558 1.00 0.00 C ATOM 1334 C SER A 89 -2.125 20.195 3.778 1.00 0.00 C ATOM 1335 O SER A 89 -2.810 20.835 2.981 1.00 0.00 O ATOM 1336 CB SER A 89 0.129 21.218 4.140 1.00 0.00 C ATOM 1337 OG SER A 89 1.467 21.254 3.674 1.00 0.00 O ATOM 0 H SER A 89 -0.007 20.728 1.684 1.00 0.00 H new ATOM 0 HA SER A 89 -0.303 19.114 4.070 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.380 22.141 3.864 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.121 21.162 5.229 1.00 0.00 H new ATOM 0 HG SER A 89 1.927 22.029 4.059 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.629 19.620 4.866 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.044 19.723 5.172 1.00 0.00 C ATOM 1345 C GLY A 90 -4.920 19.271 4.020 1.00 0.00 C ATOM 1346 O GLY A 90 -5.862 19.964 3.637 1.00 0.00 O ATOM 0 H GLY A 90 -2.083 19.085 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.267 19.120 6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.284 20.756 5.424 1.00 0.00 H new ATOM 1350 N THR A 91 -4.609 18.104 3.464 1.00 0.00 N ATOM 1351 CA THR A 91 -5.372 17.561 2.348 1.00 0.00 C ATOM 1352 C THR A 91 -5.552 16.054 2.486 1.00 0.00 C ATOM 1353 O THR A 91 -4.660 15.354 2.963 1.00 0.00 O ATOM 1354 CB THR A 91 -4.690 17.864 1.000 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.444 19.270 0.881 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.553 17.395 -0.161 1.00 0.00 C ATOM 0 H THR A 91 -3.833 17.517 3.769 1.00 0.00 H new ATOM 0 HA THR A 91 -6.349 18.044 2.369 1.00 0.00 H new ATOM 0 HB THR A 91 -3.743 17.326 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.784 19.544 1.551 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.051 17.620 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.714 16.320 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.514 17.909 -0.131 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.712 15.560 2.064 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.009 14.135 2.142 1.00 0.00 C ATOM 1366 C ARG A 92 -6.203 13.355 1.107 1.00 0.00 C ATOM 1367 O ARG A 92 -5.922 13.856 0.018 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.504 13.891 1.929 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.353 14.212 3.148 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.772 13.687 2.993 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.673 14.239 4.001 1.00 0.00 N ATOM 1372 CZ ARG A 92 -11.658 13.875 5.279 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -10.792 12.965 5.702 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -12.509 14.423 6.136 1.00 0.00 N ATOM 0 H ARG A 92 -7.461 16.126 1.665 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.729 13.785 3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.846 14.496 1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.658 12.847 1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.897 13.774 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.378 15.291 3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.144 13.936 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.766 12.600 3.068 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.351 14.943 3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.135 12.542 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.783 12.687 6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.176 15.125 5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.497 14.143 7.117 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.834 12.127 1.455 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.059 11.279 0.558 1.00 0.00 C ATOM 1390 C TYR A 93 -5.433 9.811 0.737 1.00 0.00 C ATOM 1391 O TYR A 93 -5.300 9.254 1.827 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.562 11.470 0.809 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.950 12.592 0.001 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.992 13.904 0.456 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.331 12.340 -1.217 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.435 14.933 -0.280 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -1.771 13.362 -1.958 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.825 14.656 -1.485 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.269 15.678 -2.221 1.00 0.00 O ATOM 0 H TYR A 93 -6.059 11.697 2.352 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.289 11.571 -0.467 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.402 11.668 1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.042 10.541 0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.468 14.124 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.287 11.328 -1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.477 15.948 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.293 13.149 -2.903 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.879 15.314 -3.043 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.900 9.191 -0.341 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.292 7.787 -0.305 1.00 0.00 C ATOM 1411 C ILE A 94 -5.128 6.881 -0.690 1.00 0.00 C ATOM 1412 O ILE A 94 -4.436 7.128 -1.679 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.478 7.509 -1.247 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.719 8.274 -0.780 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.763 6.016 -1.314 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.889 8.166 -1.732 1.00 0.00 C ATOM 0 H ILE A 94 -6.016 9.638 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.594 7.570 0.720 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.217 7.854 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.021 7.898 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.461 9.325 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.604 5.836 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.882 5.494 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.007 5.647 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.733 8.732 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.605 8.568 -2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.174 7.120 -1.841 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.918 5.830 0.095 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.837 4.886 -0.164 1.00 0.00 C ATOM 1430 C PHE A 95 -4.385 3.477 -0.370 1.00 0.00 C ATOM 1431 O PHE A 95 -5.207 2.998 0.412 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.837 4.892 0.994 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.088 6.187 1.132 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.714 7.314 1.640 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.759 6.278 0.753 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -2.028 8.507 1.769 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.067 7.468 0.880 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.703 8.584 1.387 1.00 0.00 C ATOM 0 H PHE A 95 -5.482 5.610 0.916 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.327 5.197 -1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.368 4.688 1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.122 4.082 0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.750 7.260 1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.257 5.409 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.527 9.378 2.168 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.970 7.525 0.583 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.165 9.515 1.485 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.923 2.818 -1.428 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.366 1.464 -1.736 1.00 0.00 C ATOM 1450 C ILE A 96 -3.194 0.585 -2.159 1.00 0.00 C ATOM 1451 O ILE A 96 -2.681 0.709 -3.272 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.426 1.459 -2.854 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.751 2.017 -2.332 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.615 0.051 -3.398 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.709 2.425 -3.430 1.00 0.00 C ATOM 0 H ILE A 96 -3.243 3.200 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.809 1.062 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.080 2.098 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.230 1.266 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.548 2.880 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.367 0.064 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.670 -0.313 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.943 -0.608 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.627 2.811 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.249 3.199 -4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.942 1.559 -4.050 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.774 -0.304 -1.265 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.664 -1.206 -1.546 1.00 0.00 C ATOM 1469 C VAL A 97 -2.134 -2.429 -2.326 1.00 0.00 C ATOM 1470 O VAL A 97 -3.183 -3.001 -2.033 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.977 -1.672 -0.248 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.031 -2.772 -0.543 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.309 -0.498 0.451 1.00 0.00 C ATOM 0 H VAL A 97 -3.186 -0.419 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.947 -0.648 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.737 -2.078 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.506 -3.089 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.480 -3.621 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.790 -2.396 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.171 -0.845 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.440 -0.060 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.059 0.253 0.697 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.348 -2.825 -3.322 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.681 -3.981 -4.146 1.00 0.00 C ATOM 1485 C LYS A 98 -0.521 -4.971 -4.188 1.00 0.00 C ATOM 1486 O LYS A 98 0.593 -4.619 -4.574 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.038 -3.536 -5.566 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.428 -4.683 -6.482 1.00 0.00 C ATOM 1489 CD LYS A 98 -3.040 -4.177 -7.778 1.00 0.00 C ATOM 1490 CE LYS A 98 -1.977 -3.643 -8.726 1.00 0.00 C ATOM 1491 NZ LYS A 98 -1.424 -4.715 -9.599 1.00 0.00 N ATOM 0 H LYS A 98 -0.476 -2.362 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.543 -4.477 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.862 -2.824 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.187 -3.010 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.549 -5.287 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.139 -5.332 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.588 -4.985 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.761 -3.390 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.405 -2.855 -9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.170 -3.192 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.612 -4.344 -10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.115 -5.516 -9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.158 -5.035 -10.263 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.792 -6.210 -3.790 1.00 0.00 N ATOM 1506 CA ALA A 99 0.229 -7.251 -3.787 1.00 0.00 C ATOM 1507 C ALA A 99 0.206 -8.047 -5.087 1.00 0.00 C ATOM 1508 O ALA A 99 -0.837 -8.558 -5.494 1.00 0.00 O ATOM 1509 CB ALA A 99 0.034 -8.177 -2.595 1.00 0.00 C ATOM 0 H ALA A 99 -1.709 -6.517 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 99 1.203 -6.770 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.803 -8.950 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.109 -7.602 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.950 -8.643 -2.654 1.00 0.00 H new ATOM 1515 N ILE A 100 1.362 -8.146 -5.735 1.00 0.00 N ATOM 1516 CA ILE A 100 1.473 -8.880 -6.989 1.00 0.00 C ATOM 1517 C ILE A 100 2.337 -10.126 -6.822 1.00 0.00 C ATOM 1518 O ILE A 100 3.439 -10.062 -6.281 1.00 0.00 O ATOM 1519 CB ILE A 100 2.070 -8.002 -8.104 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.219 -6.747 -8.306 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.176 -8.791 -9.401 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.655 -5.577 -7.452 1.00 0.00 C ATOM 0 H ILE A 100 2.234 -7.727 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 100 0.463 -9.176 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 100 3.072 -7.694 -7.806 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.260 -6.455 -9.355 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.179 -6.983 -8.081 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.600 -8.156 -10.179 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.820 -9.657 -9.248 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.184 -9.125 -9.706 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.007 -4.722 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.588 -5.850 -6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.685 -5.314 -7.693 1.00 0.00 H new ATOM 1534 N ASN A 101 1.827 -11.260 -7.292 1.00 0.00 N ATOM 1535 CA ASN A 101 2.552 -12.522 -7.196 1.00 0.00 C ATOM 1536 C ASN A 101 2.449 -13.309 -8.499 1.00 0.00 C ATOM 1537 O ASN A 101 1.848 -12.847 -9.469 1.00 0.00 O ATOM 1538 CB ASN A 101 2.008 -13.360 -6.037 1.00 0.00 C ATOM 1539 CG ASN A 101 0.569 -13.784 -6.256 1.00 0.00 C ATOM 1540 OD1 ASN A 101 -0.161 -13.166 -7.030 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.154 -14.844 -5.572 1.00 0.00 N ATOM 0 H ASN A 101 0.915 -11.331 -7.743 1.00 0.00 H new ATOM 0 HA ASN A 101 3.602 -12.296 -7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.630 -14.246 -5.910 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.078 -12.786 -5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.805 -15.176 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 101 0.794 -15.326 -4.941 1.00 0.00 H new ATOM 1548 N GLN A 102 3.039 -14.500 -8.513 1.00 0.00 N ATOM 1549 CA GLN A 102 3.013 -15.351 -9.696 1.00 0.00 C ATOM 1550 C GLN A 102 1.580 -15.623 -10.141 1.00 0.00 C ATOM 1551 O GLN A 102 1.303 -15.750 -11.333 1.00 0.00 O ATOM 1552 CB GLN A 102 3.732 -16.672 -9.416 1.00 0.00 C ATOM 1553 CG GLN A 102 3.520 -17.721 -10.496 1.00 0.00 C ATOM 1554 CD GLN A 102 3.946 -17.240 -11.869 1.00 0.00 C ATOM 1555 OE1 GLN A 102 3.523 -16.177 -12.326 1.00 0.00 O ATOM 1556 NE2 GLN A 102 4.788 -18.021 -12.535 1.00 0.00 N ATOM 0 H GLN A 102 3.541 -14.897 -7.719 1.00 0.00 H new ATOM 0 HA GLN A 102 3.530 -14.827 -10.500 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.800 -16.480 -9.312 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.386 -17.070 -8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.082 -18.619 -10.240 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.467 -18.001 -10.524 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.113 -18.893 -12.118 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.110 -17.749 -13.464 1.00 0.00 H new ATOM 1565 N ALA A 103 0.672 -15.711 -9.174 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.733 -15.966 -9.466 1.00 0.00 C ATOM 1567 C ALA A 103 -1.387 -14.753 -10.118 1.00 0.00 C ATOM 1568 O ALA A 103 -1.689 -14.764 -11.310 1.00 0.00 O ATOM 1569 CB ALA A 103 -1.475 -16.348 -8.194 1.00 0.00 C ATOM 0 H ALA A 103 0.885 -15.609 -8.182 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.788 -16.797 -10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.523 -16.536 -8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.031 -17.248 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.404 -15.534 -7.473 1.00 0.00 H new ATOM 1575 N GLY A 104 -1.604 -13.706 -9.326 1.00 0.00 N ATOM 1576 CA GLY A 104 -2.223 -12.500 -9.845 1.00 0.00 C ATOM 1577 C GLY A 104 -1.978 -11.296 -8.957 1.00 0.00 C ATOM 1578 O GLY A 104 -0.899 -11.147 -8.384 1.00 0.00 O ATOM 0 H GLY A 104 -1.362 -13.672 -8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.835 -12.297 -10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.296 -12.661 -9.947 1.00 0.00 H new ATOM 1582 N SER A 105 -2.982 -10.432 -8.844 1.00 0.00 N ATOM 1583 CA SER A 105 -2.869 -9.231 -8.025 1.00 0.00 C ATOM 1584 C SER A 105 -4.117 -9.038 -7.169 1.00 0.00 C ATOM 1585 O SER A 105 -5.227 -9.364 -7.589 1.00 0.00 O ATOM 1586 CB SER A 105 -2.648 -8.003 -8.910 1.00 0.00 C ATOM 1587 OG SER A 105 -3.595 -7.956 -9.963 1.00 0.00 O ATOM 0 H SER A 105 -3.883 -10.542 -9.310 1.00 0.00 H new ATOM 0 HA SER A 105 -2.011 -9.352 -7.363 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.725 -7.098 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.640 -8.026 -9.324 1.00 0.00 H new ATOM 0 HG SER A 105 -3.433 -7.161 -10.513 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.926 -8.506 -5.966 1.00 0.00 N ATOM 1594 CA ARG A 106 -5.035 -8.270 -5.050 1.00 0.00 C ATOM 1595 C ARG A 106 -4.976 -6.856 -4.478 1.00 0.00 C ATOM 1596 O ARG A 106 -4.112 -6.542 -3.661 1.00 0.00 O ATOM 1597 CB ARG A 106 -5.012 -9.293 -3.913 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.253 -9.258 -3.037 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.419 -9.980 -3.695 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.692 -9.660 -3.055 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.347 -8.520 -3.250 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -8.851 -7.597 -4.062 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.500 -8.303 -2.631 1.00 0.00 N ATOM 0 H ARG A 106 -3.013 -8.230 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.965 -8.379 -5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.905 -10.292 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.134 -9.114 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.034 -9.720 -2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.530 -8.223 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.465 -9.708 -4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.251 -11.056 -3.650 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.101 -10.349 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.964 -7.761 -4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.356 -6.723 -4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.884 -9.011 -2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.002 -7.428 -2.781 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.902 -6.008 -4.914 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.955 -4.628 -4.447 1.00 0.00 C ATOM 1619 C ASN A 107 -6.709 -4.530 -3.124 1.00 0.00 C ATOM 1620 O ASN A 107 -7.832 -5.019 -3.000 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.624 -3.737 -5.496 1.00 0.00 C ATOM 1622 CG ASN A 107 -8.133 -3.893 -5.508 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -8.655 -5.002 -5.397 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -8.841 -2.778 -5.644 1.00 0.00 N ATOM 0 H ASN A 107 -6.626 -6.253 -5.590 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.933 -4.285 -4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.370 -2.695 -5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.228 -3.981 -6.482 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.860 -2.820 -5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.366 -1.880 -5.733 1.00 0.00 H new ATOM 1631 N SER A 108 -6.084 -3.894 -2.138 1.00 0.00 N ATOM 1632 CA SER A 108 -6.694 -3.734 -0.824 1.00 0.00 C ATOM 1633 C SER A 108 -7.733 -2.617 -0.839 1.00 0.00 C ATOM 1634 O SER A 108 -7.929 -1.952 -1.856 1.00 0.00 O ATOM 1635 CB SER A 108 -5.623 -3.435 0.226 1.00 0.00 C ATOM 1636 OG SER A 108 -6.136 -3.594 1.538 1.00 0.00 O ATOM 0 H SER A 108 -5.155 -3.481 -2.225 1.00 0.00 H new ATOM 0 HA SER A 108 -7.194 -4.668 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.772 -4.101 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.257 -2.417 0.096 1.00 0.00 H new ATOM 0 HG SER A 108 -5.546 -4.186 2.050 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.395 -2.417 0.296 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.415 -1.381 0.413 1.00 0.00 C ATOM 1644 C GLU A 109 -8.776 0.000 0.525 1.00 0.00 C ATOM 1645 O GLU A 109 -7.660 0.158 1.021 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.304 -1.644 1.631 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.201 -2.861 1.478 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.142 -2.747 0.294 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -11.719 -3.073 -0.834 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.302 -2.331 0.498 1.00 0.00 O ATOM 0 H GLU A 109 -8.244 -2.958 1.147 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.028 -1.407 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.672 -1.777 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.924 -0.767 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.583 -3.751 1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.784 -2.995 2.389 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.500 1.026 0.053 1.00 0.00 N ATOM 1658 CA PRO A 110 -9.025 2.412 0.088 1.00 0.00 C ATOM 1659 C PRO A 110 -8.975 2.972 1.506 1.00 0.00 C ATOM 1660 O PRO A 110 -9.996 3.049 2.190 1.00 0.00 O ATOM 1661 CB PRO A 110 -10.063 3.165 -0.748 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.300 2.339 -0.648 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.838 0.912 -0.551 1.00 0.00 C ATOM 0 HA PRO A 110 -8.007 2.503 -0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.227 4.172 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.738 3.268 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.887 2.619 0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.938 2.484 -1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.508 0.314 0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.797 0.435 -1.530 1.00 0.00 H new ATOM 1671 N THR A 111 -7.782 3.363 1.942 1.00 0.00 N ATOM 1672 CA THR A 111 -7.599 3.916 3.278 1.00 0.00 C ATOM 1673 C THR A 111 -7.485 5.435 3.234 1.00 0.00 C ATOM 1674 O THR A 111 -6.494 5.979 2.746 1.00 0.00 O ATOM 1675 CB THR A 111 -6.344 3.338 3.958 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.614 2.018 4.443 1.00 0.00 O ATOM 1677 CG2 THR A 111 -5.895 4.225 5.109 1.00 0.00 C ATOM 0 H THR A 111 -6.927 3.307 1.389 1.00 0.00 H new ATOM 0 HA THR A 111 -8.479 3.637 3.858 1.00 0.00 H new ATOM 0 HB THR A 111 -5.544 3.297 3.219 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.063 1.841 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.007 3.796 5.574 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.662 5.221 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.693 4.294 5.848 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.505 6.116 3.747 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.519 7.573 3.766 1.00 0.00 C ATOM 1687 C ARG A 112 -7.552 8.113 4.816 1.00 0.00 C ATOM 1688 O ARG A 112 -7.494 7.610 5.938 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.932 8.088 4.046 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.861 8.000 2.846 1.00 0.00 C ATOM 1691 CD ARG A 112 -10.828 9.277 2.022 1.00 0.00 C ATOM 1692 NE ARG A 112 -12.086 9.505 1.316 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.207 9.889 1.917 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.226 10.086 3.228 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.312 10.076 1.206 1.00 0.00 N ATOM 0 H ARG A 112 -9.333 5.681 4.155 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.199 7.926 2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.361 7.517 4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.873 9.126 4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.571 7.155 2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.879 7.811 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.620 10.125 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -10.012 9.222 1.301 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.105 9.362 0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.379 9.943 3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.088 10.381 3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.301 9.925 0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.172 10.371 1.668 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.794 9.138 4.443 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.829 9.746 5.352 1.00 0.00 C ATOM 1711 C LEU A 113 -5.823 11.265 5.204 1.00 0.00 C ATOM 1712 O LEU A 113 -6.165 11.798 4.148 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.428 9.191 5.087 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.251 7.687 5.302 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.846 7.255 4.913 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.543 7.318 6.749 1.00 0.00 C ATOM 0 H LEU A 113 -6.829 9.565 3.518 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.124 9.500 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.154 9.426 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.723 9.716 5.732 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.961 7.161 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.738 6.182 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.673 7.485 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.119 7.788 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.412 6.244 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.857 7.853 7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.569 7.592 6.995 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.429 11.956 6.268 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.374 13.413 6.257 1.00 0.00 C ATOM 1730 C LYS A 114 -4.029 13.911 6.777 1.00 0.00 C ATOM 1731 O LYS A 114 -3.525 13.425 7.790 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.507 13.993 7.105 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.809 14.169 6.343 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.705 15.205 7.001 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.285 16.620 6.634 1.00 0.00 C ATOM 1736 NZ LYS A 114 -9.310 17.624 7.031 1.00 0.00 N ATOM 0 H LYS A 114 -5.143 11.530 7.150 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.492 13.748 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.681 13.339 7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.195 14.959 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.594 14.471 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.333 13.215 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.738 15.040 6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.669 15.083 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.339 16.856 7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.114 16.681 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.986 18.575 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.206 17.415 6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.455 17.584 8.060 1.00 0.00 H new ATOM 1750 N THR A 115 -3.452 14.884 6.078 1.00 0.00 N ATOM 1751 CA THR A 115 -2.167 15.447 6.470 1.00 0.00 C ATOM 1752 C THR A 115 -2.341 16.532 7.526 1.00 0.00 C ATOM 1753 O THR A 115 -3.461 16.925 7.848 1.00 0.00 O ATOM 1754 CB THR A 115 -1.421 16.041 5.259 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.296 16.898 4.517 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.896 14.937 4.353 1.00 0.00 C ATOM 0 H THR A 115 -3.855 15.298 5.237 1.00 0.00 H new ATOM 0 HA THR A 115 -1.578 14.630 6.886 1.00 0.00 H new ATOM 0 HB THR A 115 -0.575 16.619 5.629 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.850 17.187 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.373 15.380 3.505 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.208 14.303 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.730 14.336 3.991 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.224 17.014 8.063 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.254 18.054 9.085 1.00 0.00 C ATOM 1766 C ASN A 116 -1.306 19.440 8.448 1.00 0.00 C ATOM 1767 O ASN A 116 -0.726 19.669 7.387 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.027 17.943 9.992 1.00 0.00 C ATOM 1769 CG ASN A 116 1.273 18.111 9.228 1.00 0.00 C ATOM 1770 OD1 ASN A 116 1.429 19.047 8.444 1.00 0.00 O ATOM 1771 ND2 ASN A 116 2.214 17.201 9.456 1.00 0.00 N ATOM 0 H ASN A 116 -0.288 16.701 7.807 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.154 17.914 9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -0.087 18.700 10.774 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -0.031 16.972 10.488 1.00 0.00 H new ATOM 0 HD21 ASN A 116 3.110 17.262 8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 116 2.040 16.442 10.115 1.00 0.00 H new