USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 856 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 24 GLN : amide:sc= -3.02! C(o=-5.8!,f=-12!) USER MOD Set 1.2: A 50 ASN : amide:sc= -2.8! C(o=-5.8!,f=-9.8!) USER MOD Set 2.1: A 37 SER OG : rot -164:sc= -0.917! USER MOD Set 2.2: A 39 HIS : no HE2:sc= -1.5! K(o=-2.4!,f=-4.7) USER MOD Set 3.1: A 34 HIS : no HE2:sc= -0.877 K(o=-2,f=-6.4!) USER MOD Set 3.2: A 121 SER OG : rot 161:sc= -1.11! USER MOD Single : A 20 SER OG : rot 84:sc= 1.31 USER MOD Single : A 45 GLN : amide:sc= 0.29 K(o=0.29,f=-5.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 54 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.47) USER MOD Single : A 62 TYR OH : rot -137:sc= 1.07 USER MOD Single : A 71 MET CE :methyl -116:sc= -1.21 (180deg=-2.04) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -174:sc= -3.54! USER MOD Single : A 88 GLN : amide:sc= -4.39! C(o=-4.4!,f=-2.9!) USER MOD Single : A 89 HIS : no HD1:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 94 SER OG : rot 140:sc= 0.688 USER MOD Single : A 96 SER OG : rot -50:sc= 1.27 USER MOD Single : A 97 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-4.1) USER MOD Single : A 105 ASN : amide:sc= 1.2 K(o=1.2,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 237 N ILE A 14 -0.049 7.358 -17.576 1.00 0.00 N ATOM 238 CA ILE A 14 0.578 6.754 -16.408 1.00 0.00 C ATOM 239 C ILE A 14 0.864 5.271 -16.641 1.00 0.00 C ATOM 240 O ILE A 14 -0.002 4.415 -16.456 1.00 0.00 O ATOM 241 CB ILE A 14 -0.288 6.912 -15.139 1.00 0.00 C ATOM 242 CG1 ILE A 14 -0.532 8.392 -14.824 1.00 0.00 C ATOM 243 CG2 ILE A 14 0.384 6.231 -13.956 1.00 0.00 C ATOM 244 CD1 ILE A 14 0.717 9.145 -14.412 1.00 0.00 C ATOM 0 HA ILE A 14 1.518 7.284 -16.253 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.252 6.437 -15.323 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.962 8.874 -15.702 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.270 8.467 -14.025 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.236 6.349 -13.068 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.511 5.170 -14.171 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.359 6.685 -13.781 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.464 10.185 -14.206 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.137 8.689 -13.516 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.450 9.103 -15.218 1.00 0.00 H new ATOM 256 N ALA A 15 2.081 4.986 -17.068 1.00 0.00 N ATOM 257 CA ALA A 15 2.525 3.625 -17.299 1.00 0.00 C ATOM 258 C ALA A 15 4.031 3.541 -17.121 1.00 0.00 C ATOM 259 O ALA A 15 4.792 3.987 -17.978 1.00 0.00 O ATOM 260 CB ALA A 15 2.120 3.155 -18.690 1.00 0.00 C ATOM 0 H ALA A 15 2.789 5.693 -17.264 1.00 0.00 H new ATOM 0 HA ALA A 15 2.046 2.969 -16.572 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.463 2.132 -18.842 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.035 3.192 -18.785 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.572 3.805 -19.440 1.00 0.00 H new ATOM 266 N PHE A 16 4.453 3.001 -15.992 1.00 0.00 N ATOM 267 CA PHE A 16 5.870 2.887 -15.680 1.00 0.00 C ATOM 268 C PHE A 16 6.248 1.430 -15.458 1.00 0.00 C ATOM 269 O PHE A 16 5.376 0.572 -15.313 1.00 0.00 O ATOM 270 CB PHE A 16 6.225 3.738 -14.452 1.00 0.00 C ATOM 271 CG PHE A 16 5.264 3.602 -13.300 1.00 0.00 C ATOM 272 CD1 PHE A 16 5.397 2.577 -12.377 1.00 0.00 C ATOM 273 CD2 PHE A 16 4.230 4.511 -13.138 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.516 2.460 -11.317 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.347 4.399 -12.082 1.00 0.00 C ATOM 276 CZ PHE A 16 3.490 3.372 -11.169 1.00 0.00 C ATOM 0 H PHE A 16 3.833 2.632 -15.271 1.00 0.00 H new ATOM 0 HA PHE A 16 6.443 3.264 -16.528 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.223 3.463 -14.111 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.268 4.785 -14.751 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.198 1.861 -12.487 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.113 5.317 -13.847 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.631 1.656 -10.605 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.545 5.114 -11.970 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.801 3.283 -10.342 1.00 0.00 H new ATOM 286 N ASP A 17 7.546 1.155 -15.434 1.00 0.00 N ATOM 287 CA ASP A 17 8.031 -0.214 -15.304 1.00 0.00 C ATOM 288 C ASP A 17 7.965 -0.690 -13.863 1.00 0.00 C ATOM 289 O ASP A 17 8.945 -0.617 -13.118 1.00 0.00 O ATOM 290 CB ASP A 17 9.460 -0.347 -15.827 1.00 0.00 C ATOM 291 CG ASP A 17 9.565 -0.074 -17.310 1.00 0.00 C ATOM 292 OD1 ASP A 17 9.188 -0.958 -18.111 1.00 0.00 O ATOM 293 OD2 ASP A 17 10.042 1.020 -17.682 1.00 0.00 O ATOM 0 H ASP A 17 8.280 1.859 -15.503 1.00 0.00 H new ATOM 0 HA ASP A 17 7.377 -0.843 -15.908 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.106 0.345 -15.287 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.827 -1.352 -15.620 1.00 0.00 H new ATOM 298 N ALA A 18 6.791 -1.141 -13.470 1.00 0.00 N ATOM 299 CA ALA A 18 6.595 -1.743 -12.168 1.00 0.00 C ATOM 300 C ALA A 18 5.764 -3.001 -12.316 1.00 0.00 C ATOM 301 O ALA A 18 4.805 -3.028 -13.088 1.00 0.00 O ATOM 302 CB ALA A 18 5.919 -0.767 -11.218 1.00 0.00 C ATOM 0 H ALA A 18 5.948 -1.100 -14.043 1.00 0.00 H new ATOM 0 HA ALA A 18 7.567 -2.000 -11.746 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.782 -1.241 -10.246 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.542 0.120 -11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.948 -0.480 -11.622 1.00 0.00 H new ATOM 308 N ASP A 19 6.143 -4.044 -11.602 1.00 0.00 N ATOM 309 CA ASP A 19 5.409 -5.299 -11.649 1.00 0.00 C ATOM 310 C ASP A 19 4.102 -5.138 -10.884 1.00 0.00 C ATOM 311 O ASP A 19 4.109 -4.890 -9.682 1.00 0.00 O ATOM 312 CB ASP A 19 6.257 -6.425 -11.054 1.00 0.00 C ATOM 313 CG ASP A 19 5.652 -7.801 -11.254 1.00 0.00 C ATOM 314 OD1 ASP A 19 5.468 -8.208 -12.418 1.00 0.00 O ATOM 315 OD2 ASP A 19 5.412 -8.500 -10.249 1.00 0.00 O ATOM 0 H ASP A 19 6.953 -4.050 -10.983 1.00 0.00 H new ATOM 0 HA ASP A 19 5.184 -5.559 -12.683 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.248 -6.402 -11.507 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.390 -6.246 -9.987 1.00 0.00 H new ATOM 320 N SER A 20 2.989 -5.221 -11.589 1.00 0.00 N ATOM 321 CA SER A 20 1.692 -4.969 -10.987 1.00 0.00 C ATOM 322 C SER A 20 0.883 -6.251 -10.810 1.00 0.00 C ATOM 323 O SER A 20 0.477 -6.892 -11.783 1.00 0.00 O ATOM 324 CB SER A 20 0.924 -3.954 -11.835 1.00 0.00 C ATOM 325 OG SER A 20 1.158 -4.163 -13.219 1.00 0.00 O ATOM 0 H SER A 20 2.957 -5.461 -12.580 1.00 0.00 H new ATOM 0 HA SER A 20 1.854 -4.560 -9.990 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.143 -4.035 -11.627 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.226 -2.943 -11.560 1.00 0.00 H new ATOM 0 HG SER A 20 0.558 -4.863 -13.550 1.00 0.00 H new ATOM 331 N GLU A 21 0.655 -6.620 -9.557 1.00 0.00 N ATOM 332 CA GLU A 21 -0.161 -7.781 -9.237 1.00 0.00 C ATOM 333 C GLU A 21 -1.365 -7.368 -8.404 1.00 0.00 C ATOM 334 O GLU A 21 -1.224 -6.642 -7.421 1.00 0.00 O ATOM 335 CB GLU A 21 0.638 -8.822 -8.453 1.00 0.00 C ATOM 336 CG GLU A 21 1.961 -9.200 -9.089 1.00 0.00 C ATOM 337 CD GLU A 21 2.606 -10.384 -8.404 1.00 0.00 C ATOM 338 OE1 GLU A 21 2.531 -11.496 -8.956 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.190 -10.214 -7.314 1.00 0.00 O ATOM 0 H GLU A 21 1.026 -6.129 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.489 -8.217 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.826 -8.439 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.031 -9.721 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.803 -9.433 -10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.638 -8.347 -9.050 1.00 0.00 H new ATOM 346 N ILE A 22 -2.539 -7.825 -8.799 1.00 0.00 N ATOM 347 CA ILE A 22 -3.736 -7.634 -8.000 1.00 0.00 C ATOM 348 C ILE A 22 -4.089 -8.939 -7.307 1.00 0.00 C ATOM 349 O ILE A 22 -4.520 -9.899 -7.944 1.00 0.00 O ATOM 350 CB ILE A 22 -4.936 -7.148 -8.843 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.650 -5.759 -9.417 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.206 -7.123 -8.000 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.759 -5.221 -10.296 1.00 0.00 C ATOM 0 H ILE A 22 -2.690 -8.333 -9.671 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.524 -6.857 -7.265 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.085 -7.844 -9.669 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.481 -5.064 -8.595 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.727 -5.798 -9.996 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.041 -6.778 -8.610 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.417 -8.126 -7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.069 -6.446 -7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.484 -4.233 -10.665 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.914 -5.894 -11.140 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.679 -5.148 -9.717 1.00 0.00 H new ATOM 365 N LEU A 23 -3.871 -8.981 -6.009 1.00 0.00 N ATOM 366 CA LEU A 23 -4.123 -10.184 -5.243 1.00 0.00 C ATOM 367 C LEU A 23 -5.287 -9.977 -4.289 1.00 0.00 C ATOM 368 O LEU A 23 -5.573 -8.858 -3.864 1.00 0.00 O ATOM 369 CB LEU A 23 -2.870 -10.636 -4.472 1.00 0.00 C ATOM 370 CG LEU A 23 -2.335 -9.667 -3.409 1.00 0.00 C ATOM 371 CD1 LEU A 23 -1.395 -10.395 -2.464 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.607 -8.496 -4.055 1.00 0.00 C ATOM 0 H LEU A 23 -3.520 -8.195 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.383 -10.974 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.092 -11.586 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.075 -10.825 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.185 -9.279 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.021 -9.698 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.931 -11.206 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.557 -10.804 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.238 -7.825 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.768 -8.869 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.294 -7.955 -4.706 1.00 0.00 H new ATOM 384 N GLN A 24 -5.963 -11.068 -3.983 1.00 0.00 N ATOM 385 CA GLN A 24 -7.089 -11.052 -3.062 1.00 0.00 C ATOM 386 C GLN A 24 -6.832 -12.082 -1.967 1.00 0.00 C ATOM 387 O GLN A 24 -7.737 -12.506 -1.257 1.00 0.00 O ATOM 388 CB GLN A 24 -8.377 -11.386 -3.832 1.00 0.00 C ATOM 389 CG GLN A 24 -9.627 -10.647 -3.361 1.00 0.00 C ATOM 390 CD GLN A 24 -10.122 -11.087 -1.998 1.00 0.00 C ATOM 391 OE1 GLN A 24 -10.884 -12.048 -1.886 1.00 0.00 O ATOM 392 NE2 GLN A 24 -9.726 -10.368 -0.961 1.00 0.00 N ATOM 0 H GLN A 24 -5.750 -11.990 -4.364 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.203 -10.067 -2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.219 -11.163 -4.887 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.558 -12.458 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.416 -9.578 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.422 -10.796 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.094 -9.580 -1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.053 -10.602 -0.024 1.00 0.00 H new ATOM 401 N GLY A 25 -5.576 -12.495 -1.848 1.00 0.00 N ATOM 402 CA GLY A 25 -5.228 -13.553 -0.917 1.00 0.00 C ATOM 403 C GLY A 25 -5.528 -14.922 -1.491 1.00 0.00 C ATOM 404 O GLY A 25 -4.732 -15.851 -1.358 1.00 0.00 O ATOM 0 H GLY A 25 -4.792 -12.117 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.169 -13.486 -0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.782 -13.418 0.012 1.00 0.00 H new ATOM 408 N GLU A 26 -6.689 -15.036 -2.127 1.00 0.00 N ATOM 409 CA GLU A 26 -7.103 -16.256 -2.809 1.00 0.00 C ATOM 410 C GLU A 26 -6.128 -16.584 -3.940 1.00 0.00 C ATOM 411 O GLU A 26 -5.770 -17.740 -4.160 1.00 0.00 O ATOM 412 CB GLU A 26 -8.505 -16.069 -3.394 1.00 0.00 C ATOM 413 CG GLU A 26 -9.439 -15.240 -2.525 1.00 0.00 C ATOM 414 CD GLU A 26 -9.915 -15.964 -1.285 1.00 0.00 C ATOM 415 OE1 GLU A 26 -10.959 -16.642 -1.356 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.272 -15.834 -0.227 1.00 0.00 O ATOM 0 H GLU A 26 -7.372 -14.281 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.109 -17.075 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.418 -15.593 -4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.953 -17.050 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.928 -14.325 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.305 -14.943 -3.117 1.00 0.00 H new ATOM 423 N ARG A 27 -5.713 -15.540 -4.652 1.00 0.00 N ATOM 424 CA ARG A 27 -4.797 -15.668 -5.778 1.00 0.00 C ATOM 425 C ARG A 27 -4.198 -14.300 -6.089 1.00 0.00 C ATOM 426 O ARG A 27 -4.747 -13.276 -5.670 1.00 0.00 O ATOM 427 CB ARG A 27 -5.542 -16.188 -7.015 1.00 0.00 C ATOM 428 CG ARG A 27 -4.626 -16.660 -8.135 1.00 0.00 C ATOM 429 CD ARG A 27 -5.346 -16.699 -9.475 1.00 0.00 C ATOM 430 NE ARG A 27 -4.574 -17.417 -10.491 1.00 0.00 N ATOM 431 CZ ARG A 27 -3.667 -16.858 -11.298 1.00 0.00 C ATOM 432 NH1 ARG A 27 -3.415 -15.555 -11.237 1.00 0.00 N ATOM 433 NH2 ARG A 27 -3.012 -17.609 -12.175 1.00 0.00 N ATOM 0 H ARG A 27 -6.004 -14.581 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.008 -16.374 -5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.189 -17.013 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.188 -15.397 -7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.765 -15.996 -8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.244 -17.653 -7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.317 -17.179 -9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.535 -15.681 -9.815 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.741 -18.418 -10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.916 -14.969 -10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.720 -15.140 -11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.202 -18.610 -12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.319 -17.185 -12.792 1.00 0.00 H new ATOM 447 N ARG A 28 -3.080 -14.277 -6.806 1.00 0.00 N ATOM 448 CA ARG A 28 -2.506 -13.022 -7.275 1.00 0.00 C ATOM 449 C ARG A 28 -2.561 -12.965 -8.799 1.00 0.00 C ATOM 450 O ARG A 28 -1.973 -13.800 -9.485 1.00 0.00 O ATOM 451 CB ARG A 28 -1.063 -12.840 -6.778 1.00 0.00 C ATOM 452 CG ARG A 28 -0.108 -13.957 -7.174 1.00 0.00 C ATOM 453 CD ARG A 28 1.331 -13.595 -6.844 1.00 0.00 C ATOM 454 NE ARG A 28 2.265 -14.666 -7.193 1.00 0.00 N ATOM 455 CZ ARG A 28 3.561 -14.476 -7.454 1.00 0.00 C ATOM 456 NH1 ARG A 28 4.071 -13.249 -7.499 1.00 0.00 N ATOM 457 NH2 ARG A 28 4.341 -15.517 -7.708 1.00 0.00 N ATOM 0 H ARG A 28 -2.555 -15.110 -7.074 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.097 -12.203 -6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.677 -11.897 -7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.075 -12.759 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.383 -14.875 -6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.200 -14.156 -8.242 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.607 -12.686 -7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.414 -13.376 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 28 1.903 -15.619 -7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.471 -12.441 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.062 -13.116 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.951 -16.460 -7.704 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.331 -15.376 -7.908 1.00 0.00 H new ATOM 471 N TRP A 29 -3.283 -11.993 -9.325 1.00 0.00 N ATOM 472 CA TRP A 29 -3.439 -11.853 -10.766 1.00 0.00 C ATOM 473 C TRP A 29 -2.456 -10.837 -11.321 1.00 0.00 C ATOM 474 O TRP A 29 -2.430 -9.686 -10.883 1.00 0.00 O ATOM 475 CB TRP A 29 -4.864 -11.425 -11.120 1.00 0.00 C ATOM 476 CG TRP A 29 -5.888 -12.505 -10.948 1.00 0.00 C ATOM 477 CD1 TRP A 29 -6.239 -13.449 -11.869 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.707 -12.744 -9.795 1.00 0.00 C ATOM 479 NE1 TRP A 29 -7.217 -14.264 -11.361 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.523 -13.853 -10.091 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.827 -12.132 -8.544 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -8.447 -14.360 -9.183 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -7.746 -12.637 -7.643 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.544 -13.743 -7.965 1.00 0.00 C ATOM 0 H TRP A 29 -3.773 -11.286 -8.777 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.237 -12.826 -11.214 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.141 -10.574 -10.498 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.883 -11.083 -12.155 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.809 -13.541 -12.855 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.647 -15.049 -11.850 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.214 -11.281 -8.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.066 -15.210 -9.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.851 -12.171 -6.674 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -9.250 -14.116 -7.238 1.00 0.00 H new ATOM 495 N GLU A 30 -1.646 -11.263 -12.277 1.00 0.00 N ATOM 496 CA GLU A 30 -0.750 -10.351 -12.966 1.00 0.00 C ATOM 497 C GLU A 30 -1.562 -9.428 -13.861 1.00 0.00 C ATOM 498 O GLU A 30 -2.214 -9.878 -14.808 1.00 0.00 O ATOM 499 CB GLU A 30 0.270 -11.110 -13.812 1.00 0.00 C ATOM 500 CG GLU A 30 1.295 -10.200 -14.465 1.00 0.00 C ATOM 501 CD GLU A 30 1.978 -10.844 -15.648 1.00 0.00 C ATOM 502 OE1 GLU A 30 1.643 -10.486 -16.799 1.00 0.00 O ATOM 503 OE2 GLU A 30 2.853 -11.710 -15.439 1.00 0.00 O ATOM 0 H GLU A 30 -1.591 -12.232 -12.592 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.209 -9.771 -12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.785 -11.837 -13.184 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.254 -11.672 -14.585 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.805 -9.282 -14.789 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.046 -9.917 -13.727 1.00 0.00 H new ATOM 510 N VAL A 31 -1.527 -8.145 -13.561 1.00 0.00 N ATOM 511 CA VAL A 31 -2.305 -7.175 -14.305 1.00 0.00 C ATOM 512 C VAL A 31 -1.372 -6.151 -14.943 1.00 0.00 C ATOM 513 O VAL A 31 -0.229 -6.002 -14.517 1.00 0.00 O ATOM 514 CB VAL A 31 -3.330 -6.473 -13.385 1.00 0.00 C ATOM 515 CG1 VAL A 31 -2.645 -5.504 -12.434 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.404 -5.772 -14.198 1.00 0.00 C ATOM 0 H VAL A 31 -0.967 -7.750 -12.806 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.857 -7.693 -15.089 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.814 -7.242 -12.783 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.392 -5.026 -11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.934 -6.047 -11.811 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.116 -4.743 -13.008 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.111 -5.287 -13.525 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.943 -5.023 -14.841 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.930 -6.503 -14.812 1.00 0.00 H new ATOM 526 N LEU A 32 -1.842 -5.470 -15.973 1.00 0.00 N ATOM 527 CA LEU A 32 -1.038 -4.450 -16.622 1.00 0.00 C ATOM 528 C LEU A 32 -1.512 -3.061 -16.217 1.00 0.00 C ATOM 529 O LEU A 32 -2.713 -2.771 -16.242 1.00 0.00 O ATOM 530 CB LEU A 32 -1.072 -4.597 -18.150 1.00 0.00 C ATOM 531 CG LEU A 32 -0.390 -5.850 -18.716 1.00 0.00 C ATOM 532 CD1 LEU A 32 -1.267 -7.082 -18.537 1.00 0.00 C ATOM 533 CD2 LEU A 32 -0.042 -5.649 -20.183 1.00 0.00 C ATOM 0 H LEU A 32 -2.770 -5.603 -16.376 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.007 -4.583 -16.294 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.113 -4.596 -18.473 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.600 -3.719 -18.591 1.00 0.00 H new ATOM 0 HG LEU A 32 0.533 -6.013 -18.159 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.758 -7.954 -18.947 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.460 -7.240 -17.476 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.212 -6.935 -19.059 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.441 -6.547 -20.569 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.953 -5.455 -20.750 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.636 -4.801 -20.283 1.00 0.00 H new ATOM 545 N LEU A 33 -0.568 -2.217 -15.825 1.00 0.00 N ATOM 546 CA LEU A 33 -0.862 -0.838 -15.457 1.00 0.00 C ATOM 547 C LEU A 33 -1.284 -0.037 -16.684 1.00 0.00 C ATOM 548 O LEU A 33 -0.711 -0.191 -17.762 1.00 0.00 O ATOM 549 CB LEU A 33 0.367 -0.196 -14.805 1.00 0.00 C ATOM 550 CG LEU A 33 0.202 1.270 -14.401 1.00 0.00 C ATOM 551 CD1 LEU A 33 -0.860 1.416 -13.324 1.00 0.00 C ATOM 552 CD2 LEU A 33 1.528 1.839 -13.926 1.00 0.00 C ATOM 0 H LEU A 33 0.418 -2.466 -15.753 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.685 -0.836 -14.742 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.630 -0.773 -13.918 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.206 -0.273 -15.496 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.124 1.833 -15.276 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.960 2.467 -13.052 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.814 1.046 -13.701 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.569 0.840 -12.446 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.395 2.883 -13.642 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.880 1.271 -13.065 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.261 1.772 -14.730 1.00 0.00 H new ATOM 564 N HIS A 34 -2.301 0.801 -16.523 1.00 0.00 N ATOM 565 CA HIS A 34 -2.802 1.612 -17.624 1.00 0.00 C ATOM 566 C HIS A 34 -2.951 3.079 -17.220 1.00 0.00 C ATOM 567 O HIS A 34 -2.710 3.974 -18.033 1.00 0.00 O ATOM 568 CB HIS A 34 -4.138 1.063 -18.133 1.00 0.00 C ATOM 569 CG HIS A 34 -4.012 -0.137 -19.032 1.00 0.00 C ATOM 570 ND1 HIS A 34 -4.171 -0.071 -20.400 1.00 0.00 N ATOM 571 CD2 HIS A 34 -3.762 -1.439 -18.755 1.00 0.00 C ATOM 572 CE1 HIS A 34 -4.034 -1.273 -20.920 1.00 0.00 C ATOM 573 NE2 HIS A 34 -3.786 -2.119 -19.945 1.00 0.00 N ATOM 0 H HIS A 34 -2.794 0.936 -15.641 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.069 1.560 -18.429 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.758 0.797 -17.277 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.660 1.853 -18.672 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.365 0.779 -20.929 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.578 -1.862 -17.779 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.112 -1.521 -21.968 1.00 0.00 H new ATOM 582 N ASP A 35 -3.372 3.317 -15.978 1.00 0.00 N ATOM 583 CA ASP A 35 -3.480 4.673 -15.435 1.00 0.00 C ATOM 584 C ASP A 35 -3.750 4.603 -13.930 1.00 0.00 C ATOM 585 O ASP A 35 -4.818 4.172 -13.515 1.00 0.00 O ATOM 586 CB ASP A 35 -4.617 5.434 -16.140 1.00 0.00 C ATOM 587 CG ASP A 35 -4.642 6.921 -15.820 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.802 7.382 -15.023 1.00 0.00 O ATOM 589 OD2 ASP A 35 -5.502 7.642 -16.379 1.00 0.00 O ATOM 0 H ASP A 35 -3.646 2.583 -15.324 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.544 5.204 -15.607 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.517 5.304 -17.218 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.571 4.993 -15.853 1.00 0.00 H new ATOM 594 N VAL A 36 -2.786 5.008 -13.111 1.00 0.00 N ATOM 595 CA VAL A 36 -2.943 4.927 -11.657 1.00 0.00 C ATOM 596 C VAL A 36 -2.990 6.326 -11.045 1.00 0.00 C ATOM 597 O VAL A 36 -2.494 7.287 -11.634 1.00 0.00 O ATOM 598 CB VAL A 36 -1.814 4.092 -10.994 1.00 0.00 C ATOM 599 CG1 VAL A 36 -0.477 4.812 -11.050 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.166 3.738 -9.557 1.00 0.00 C ATOM 0 H VAL A 36 -1.894 5.393 -13.422 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.887 4.418 -11.463 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.721 3.168 -11.565 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.288 4.197 -10.576 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.205 4.993 -12.090 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.554 5.764 -10.524 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.358 3.153 -9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.307 4.653 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.086 3.154 -9.541 1.00 0.00 H new ATOM 610 N SER A 37 -3.594 6.442 -9.868 1.00 0.00 N ATOM 611 CA SER A 37 -3.748 7.729 -9.226 1.00 0.00 C ATOM 612 C SER A 37 -3.932 7.549 -7.712 1.00 0.00 C ATOM 613 O SER A 37 -3.929 6.426 -7.211 1.00 0.00 O ATOM 614 CB SER A 37 -4.944 8.453 -9.849 1.00 0.00 C ATOM 615 OG SER A 37 -4.855 9.854 -9.673 1.00 0.00 O ATOM 0 H SER A 37 -3.983 5.658 -9.344 1.00 0.00 H new ATOM 0 HA SER A 37 -2.852 8.331 -9.378 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.996 8.222 -10.913 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.867 8.087 -9.398 1.00 0.00 H new ATOM 0 HG SER A 37 -5.731 10.261 -9.841 1.00 0.00 H new ATOM 621 N LEU A 38 -4.109 8.654 -6.993 1.00 0.00 N ATOM 622 CA LEU A 38 -4.220 8.616 -5.532 1.00 0.00 C ATOM 623 C LEU A 38 -5.635 8.254 -5.089 1.00 0.00 C ATOM 624 O LEU A 38 -5.915 8.115 -3.902 1.00 0.00 O ATOM 625 CB LEU A 38 -3.824 9.971 -4.938 1.00 0.00 C ATOM 626 CG LEU A 38 -2.393 10.424 -5.240 1.00 0.00 C ATOM 627 CD1 LEU A 38 -2.141 11.810 -4.667 1.00 0.00 C ATOM 628 CD2 LEU A 38 -1.386 9.428 -4.682 1.00 0.00 C ATOM 0 H LEU A 38 -4.179 9.589 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.541 7.845 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.514 10.728 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.953 9.927 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.269 10.469 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.119 12.116 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.838 12.520 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.285 11.789 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.375 9.768 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.511 9.351 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.550 8.451 -5.137 1.00 0.00 H new ATOM 640 N HIS A 39 -6.518 8.089 -6.057 1.00 0.00 N ATOM 641 CA HIS A 39 -7.925 7.788 -5.784 1.00 0.00 C ATOM 642 C HIS A 39 -8.317 6.469 -6.434 1.00 0.00 C ATOM 643 O HIS A 39 -9.485 6.212 -6.695 1.00 0.00 O ATOM 644 CB HIS A 39 -8.828 8.906 -6.311 1.00 0.00 C ATOM 645 CG HIS A 39 -8.515 9.272 -7.713 1.00 0.00 C ATOM 646 ND1 HIS A 39 -9.122 8.684 -8.787 1.00 0.00 N ATOM 647 CD2 HIS A 39 -7.601 10.125 -8.213 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.592 9.150 -9.894 1.00 0.00 C ATOM 649 NE2 HIS A 39 -7.663 10.032 -9.579 1.00 0.00 N ATOM 0 H HIS A 39 -6.290 8.158 -7.049 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.053 7.710 -4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.869 8.590 -6.245 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.721 9.786 -5.676 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -9.869 7.992 -8.736 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.942 10.764 -7.644 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.870 8.859 -10.896 1.00 0.00 H new ATOM 658 N GLY A 40 -7.331 5.643 -6.716 1.00 0.00 N ATOM 659 CA GLY A 40 -7.616 4.356 -7.308 1.00 0.00 C ATOM 660 C GLY A 40 -6.726 4.058 -8.486 1.00 0.00 C ATOM 661 O GLY A 40 -5.670 4.671 -8.641 1.00 0.00 O ATOM 0 H GLY A 40 -6.343 5.835 -6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.492 3.577 -6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.658 4.328 -7.627 1.00 0.00 H new ATOM 665 N ILE A 41 -7.158 3.142 -9.333 1.00 0.00 N ATOM 666 CA ILE A 41 -6.318 2.669 -10.418 1.00 0.00 C ATOM 667 C ILE A 41 -7.156 2.049 -11.535 1.00 0.00 C ATOM 668 O ILE A 41 -8.156 1.380 -11.283 1.00 0.00 O ATOM 669 CB ILE A 41 -5.277 1.647 -9.896 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.323 1.213 -11.010 1.00 0.00 C ATOM 671 CG2 ILE A 41 -5.970 0.436 -9.283 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.210 0.304 -10.530 1.00 0.00 C ATOM 0 H ILE A 41 -8.082 2.712 -9.291 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.789 3.529 -10.829 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.689 2.137 -9.120 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.892 0.700 -11.786 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.885 2.099 -11.469 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.220 -0.269 -8.923 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.595 0.758 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.591 -0.048 -10.037 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.571 0.035 -11.371 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.617 0.821 -9.776 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.639 -0.600 -10.097 1.00 0.00 H new ATOM 684 N LEU A 42 -6.755 2.322 -12.763 1.00 0.00 N ATOM 685 CA LEU A 42 -7.376 1.748 -13.943 1.00 0.00 C ATOM 686 C LEU A 42 -6.400 0.783 -14.607 1.00 0.00 C ATOM 687 O LEU A 42 -5.340 1.184 -15.096 1.00 0.00 O ATOM 688 CB LEU A 42 -7.774 2.855 -14.924 1.00 0.00 C ATOM 689 CG LEU A 42 -8.452 2.379 -16.211 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.787 1.726 -15.905 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.640 3.538 -17.169 1.00 0.00 C ATOM 0 H LEU A 42 -5.982 2.954 -12.971 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.276 1.208 -13.650 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.446 3.545 -14.414 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.880 3.419 -15.191 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.807 1.637 -16.683 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.252 1.395 -16.834 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.631 0.868 -15.252 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.439 2.445 -15.409 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.123 3.183 -18.079 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.263 4.300 -16.701 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.669 3.966 -17.417 1.00 0.00 H new ATOM 703 N VAL A 43 -6.748 -0.492 -14.607 1.00 0.00 N ATOM 704 CA VAL A 43 -5.870 -1.516 -15.147 1.00 0.00 C ATOM 705 C VAL A 43 -6.580 -2.368 -16.185 1.00 0.00 C ATOM 706 O VAL A 43 -7.797 -2.277 -16.356 1.00 0.00 O ATOM 707 CB VAL A 43 -5.327 -2.440 -14.041 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.322 -1.709 -13.168 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.468 -2.993 -13.198 1.00 0.00 C ATOM 0 H VAL A 43 -7.632 -0.843 -14.239 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.039 -0.989 -15.617 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.815 -3.275 -14.518 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.954 -2.383 -12.395 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.487 -1.369 -13.781 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.803 -0.850 -12.701 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.065 -3.644 -12.422 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.011 -2.169 -12.735 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.146 -3.563 -13.833 1.00 0.00 H new ATOM 719 N GLY A 44 -5.804 -3.192 -16.870 1.00 0.00 N ATOM 720 CA GLY A 44 -6.358 -4.111 -17.837 1.00 0.00 C ATOM 721 C GLY A 44 -6.224 -5.539 -17.364 1.00 0.00 C ATOM 722 O GLY A 44 -5.132 -6.105 -17.393 1.00 0.00 O ATOM 0 H GLY A 44 -4.790 -3.240 -16.771 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.409 -3.877 -18.006 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.847 -3.991 -18.792 1.00 0.00 H new ATOM 726 N GLN A 45 -7.325 -6.109 -16.900 1.00 0.00 N ATOM 727 CA GLN A 45 -7.312 -7.452 -16.342 1.00 0.00 C ATOM 728 C GLN A 45 -7.941 -8.428 -17.331 1.00 0.00 C ATOM 729 O GLN A 45 -9.153 -8.417 -17.540 1.00 0.00 O ATOM 730 CB GLN A 45 -8.061 -7.466 -15.003 1.00 0.00 C ATOM 731 CG GLN A 45 -7.406 -8.333 -13.935 1.00 0.00 C ATOM 732 CD GLN A 45 -7.556 -9.818 -14.193 1.00 0.00 C ATOM 733 OE1 GLN A 45 -6.738 -10.431 -14.877 1.00 0.00 O ATOM 734 NE2 GLN A 45 -8.597 -10.410 -13.629 1.00 0.00 N ATOM 0 H GLN A 45 -8.241 -5.661 -16.899 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.283 -7.762 -16.162 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.137 -6.444 -14.631 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.078 -7.821 -15.171 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.346 -8.087 -13.877 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.842 -8.094 -12.965 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.252 -9.865 -13.069 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.744 -11.412 -13.754 1.00 0.00 H new ATOM 743 N PRO A 46 -7.113 -9.265 -17.972 1.00 0.00 N ATOM 744 CA PRO A 46 -7.566 -10.195 -19.008 1.00 0.00 C ATOM 745 C PRO A 46 -8.388 -11.355 -18.454 1.00 0.00 C ATOM 746 O PRO A 46 -9.274 -11.883 -19.132 1.00 0.00 O ATOM 747 CB PRO A 46 -6.262 -10.724 -19.624 1.00 0.00 C ATOM 748 CG PRO A 46 -5.171 -9.863 -19.076 1.00 0.00 C ATOM 749 CD PRO A 46 -5.664 -9.362 -17.754 1.00 0.00 C ATOM 0 HA PRO A 46 -8.224 -9.696 -19.719 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.103 -11.770 -19.362 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.294 -10.669 -20.712 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.248 -10.431 -18.958 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.952 -9.035 -19.750 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.421 -10.049 -16.943 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.227 -8.397 -17.497 1.00 0.00 H new ATOM 757 N GLN A 47 -8.102 -11.751 -17.224 1.00 0.00 N ATOM 758 CA GLN A 47 -8.747 -12.914 -16.637 1.00 0.00 C ATOM 759 C GLN A 47 -10.016 -12.524 -15.894 1.00 0.00 C ATOM 760 O GLN A 47 -10.347 -11.344 -15.772 1.00 0.00 O ATOM 761 CB GLN A 47 -7.789 -13.635 -15.688 1.00 0.00 C ATOM 762 CG GLN A 47 -6.538 -14.159 -16.370 1.00 0.00 C ATOM 763 CD GLN A 47 -5.614 -14.888 -15.416 1.00 0.00 C ATOM 764 OE1 GLN A 47 -6.056 -15.491 -14.438 1.00 0.00 O ATOM 765 NE2 GLN A 47 -4.322 -14.833 -15.692 1.00 0.00 N ATOM 0 H GLN A 47 -7.429 -11.286 -16.614 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.019 -13.588 -17.449 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.499 -12.952 -14.890 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.313 -14.468 -15.219 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.824 -14.832 -17.178 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.001 -13.326 -16.824 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.997 -14.322 -16.513 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.650 -15.301 -15.084 1.00 0.00 H new ATOM 774 N ASP A 48 -10.722 -13.526 -15.402 1.00 0.00 N ATOM 775 CA ASP A 48 -11.931 -13.306 -14.630 1.00 0.00 C ATOM 776 C ASP A 48 -11.621 -13.394 -13.142 1.00 0.00 C ATOM 777 O ASP A 48 -10.567 -13.897 -12.748 1.00 0.00 O ATOM 778 CB ASP A 48 -13.011 -14.320 -15.027 1.00 0.00 C ATOM 779 CG ASP A 48 -12.572 -15.759 -14.844 1.00 0.00 C ATOM 780 OD1 ASP A 48 -13.180 -16.466 -14.014 1.00 0.00 O ATOM 781 OD2 ASP A 48 -11.628 -16.195 -15.544 1.00 0.00 O ATOM 0 H ASP A 48 -10.476 -14.508 -15.525 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.312 -12.308 -14.844 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.906 -14.141 -14.431 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.285 -14.160 -16.070 1.00 0.00 H new ATOM 786 N TRP A 49 -12.532 -12.896 -12.318 1.00 0.00 N ATOM 787 CA TRP A 49 -12.298 -12.819 -10.884 1.00 0.00 C ATOM 788 C TRP A 49 -12.736 -14.093 -10.178 1.00 0.00 C ATOM 789 O TRP A 49 -13.291 -15.003 -10.792 1.00 0.00 O ATOM 790 CB TRP A 49 -13.014 -11.605 -10.294 1.00 0.00 C ATOM 791 CG TRP A 49 -12.491 -10.308 -10.826 1.00 0.00 C ATOM 792 CD1 TRP A 49 -13.094 -9.491 -11.736 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.244 -9.688 -10.490 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.303 -8.396 -11.981 1.00 0.00 N ATOM 795 CE2 TRP A 49 -11.162 -8.493 -11.227 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.190 -10.025 -9.633 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.071 -7.634 -11.134 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -9.106 -9.172 -9.544 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.055 -7.988 -10.289 1.00 0.00 C ATOM 0 H TRP A 49 -13.439 -12.540 -12.618 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.225 -12.707 -10.726 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -14.080 -11.677 -10.510 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.907 -11.617 -9.209 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.053 -9.678 -12.196 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.528 -7.634 -12.620 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.223 -10.935 -9.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.028 -6.720 -11.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.285 -9.423 -8.889 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.196 -7.341 -10.195 1.00 0.00 H new ATOM 810 N ASN A 50 -12.487 -14.145 -8.879 1.00 0.00 N ATOM 811 CA ASN A 50 -12.756 -15.342 -8.100 1.00 0.00 C ATOM 812 C ASN A 50 -14.196 -15.363 -7.608 1.00 0.00 C ATOM 813 O ASN A 50 -14.867 -16.389 -7.689 1.00 0.00 O ATOM 814 CB ASN A 50 -11.788 -15.451 -6.911 1.00 0.00 C ATOM 815 CG ASN A 50 -11.879 -14.274 -5.951 1.00 0.00 C ATOM 816 OD1 ASN A 50 -12.148 -13.142 -6.352 1.00 0.00 O ATOM 817 ND2 ASN A 50 -11.663 -14.535 -4.673 1.00 0.00 N ATOM 0 H ASN A 50 -12.098 -13.370 -8.342 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.603 -16.202 -8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.995 -16.372 -6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.768 -15.526 -7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.717 -13.786 -3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.442 -15.486 -4.377 1.00 0.00 H new ATOM 857 N GLN A 54 -16.542 -6.810 -4.598 1.00 0.00 N ATOM 858 CA GLN A 54 -16.562 -6.109 -3.319 1.00 0.00 C ATOM 859 C GLN A 54 -15.614 -6.775 -2.340 1.00 0.00 C ATOM 860 O GLN A 54 -15.680 -6.560 -1.129 1.00 0.00 O ATOM 861 CB GLN A 54 -17.980 -6.042 -2.762 1.00 0.00 C ATOM 862 CG GLN A 54 -18.861 -5.066 -3.524 1.00 0.00 C ATOM 863 CD GLN A 54 -18.394 -3.628 -3.377 1.00 0.00 C ATOM 864 OE1 GLN A 54 -18.853 -2.904 -2.496 1.00 0.00 O ATOM 865 NE2 GLN A 54 -17.459 -3.211 -4.217 1.00 0.00 N ATOM 0 HA GLN A 54 -16.222 -5.085 -3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.428 -7.035 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -17.941 -5.748 -1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -18.869 -5.336 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.887 -5.150 -3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -17.102 -3.840 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -17.096 -2.260 -4.145 1.00 0.00 H new ATOM 874 N ARG A 55 -14.740 -7.597 -2.887 1.00 0.00 N ATOM 875 CA ARG A 55 -13.658 -8.177 -2.127 1.00 0.00 C ATOM 876 C ARG A 55 -12.469 -7.235 -2.154 1.00 0.00 C ATOM 877 O ARG A 55 -12.180 -6.631 -3.187 1.00 0.00 O ATOM 878 CB ARG A 55 -13.258 -9.531 -2.708 1.00 0.00 C ATOM 879 CG ARG A 55 -14.234 -10.649 -2.396 1.00 0.00 C ATOM 880 CD ARG A 55 -13.751 -11.960 -2.982 1.00 0.00 C ATOM 881 NE ARG A 55 -14.537 -13.101 -2.528 1.00 0.00 N ATOM 882 CZ ARG A 55 -14.006 -14.207 -2.011 1.00 0.00 C ATOM 883 NH1 ARG A 55 -12.706 -14.263 -1.735 1.00 0.00 N ATOM 884 NH2 ARG A 55 -14.784 -15.235 -1.727 1.00 0.00 N ATOM 0 H ARG A 55 -14.762 -7.879 -3.867 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.987 -8.328 -1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.163 -9.437 -3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.275 -9.803 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.349 -10.748 -1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.216 -10.404 -2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.793 -11.905 -4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.706 -12.112 -2.710 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.552 -13.049 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.110 -13.456 -1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.305 -15.113 -1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.787 -15.180 -1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.382 -16.085 -1.331 1.00 0.00 H new ATOM 898 N PRO A 56 -11.783 -7.077 -1.018 1.00 0.00 N ATOM 899 CA PRO A 56 -10.612 -6.211 -0.926 1.00 0.00 C ATOM 900 C PRO A 56 -9.513 -6.633 -1.896 1.00 0.00 C ATOM 901 O PRO A 56 -8.862 -7.666 -1.709 1.00 0.00 O ATOM 902 CB PRO A 56 -10.142 -6.364 0.528 1.00 0.00 C ATOM 903 CG PRO A 56 -10.826 -7.587 1.045 1.00 0.00 C ATOM 904 CD PRO A 56 -12.100 -7.726 0.260 1.00 0.00 C ATOM 0 HA PRO A 56 -10.850 -5.180 -1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.058 -6.469 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.406 -5.487 1.120 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.195 -8.467 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.035 -7.494 2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.375 -8.772 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.936 -7.239 0.762 1.00 0.00 H new ATOM 912 N PHE A 57 -9.332 -5.847 -2.944 1.00 0.00 N ATOM 913 CA PHE A 57 -8.313 -6.124 -3.935 1.00 0.00 C ATOM 914 C PHE A 57 -7.062 -5.330 -3.604 1.00 0.00 C ATOM 915 O PHE A 57 -7.144 -4.158 -3.240 1.00 0.00 O ATOM 916 CB PHE A 57 -8.823 -5.782 -5.344 1.00 0.00 C ATOM 917 CG PHE A 57 -9.938 -6.683 -5.820 1.00 0.00 C ATOM 918 CD1 PHE A 57 -11.118 -6.162 -6.345 1.00 0.00 C ATOM 919 CD2 PHE A 57 -9.806 -8.058 -5.730 1.00 0.00 C ATOM 920 CE1 PHE A 57 -12.132 -7.004 -6.765 1.00 0.00 C ATOM 921 CE2 PHE A 57 -10.817 -8.899 -6.152 1.00 0.00 C ATOM 922 CZ PHE A 57 -11.982 -8.370 -6.669 1.00 0.00 C ATOM 0 H PHE A 57 -9.882 -5.008 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.073 -7.187 -3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.172 -4.750 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.992 -5.844 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.242 -5.092 -6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.899 -8.480 -5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.044 -6.589 -7.169 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.696 -9.970 -6.077 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.775 -9.026 -6.998 1.00 0.00 H new ATOM 932 N GLU A 58 -5.914 -5.974 -3.686 1.00 0.00 N ATOM 933 CA GLU A 58 -4.661 -5.309 -3.383 1.00 0.00 C ATOM 934 C GLU A 58 -3.812 -5.177 -4.632 1.00 0.00 C ATOM 935 O GLU A 58 -3.450 -6.173 -5.255 1.00 0.00 O ATOM 936 CB GLU A 58 -3.887 -6.077 -2.310 1.00 0.00 C ATOM 937 CG GLU A 58 -4.591 -6.127 -0.968 1.00 0.00 C ATOM 938 CD GLU A 58 -3.766 -6.832 0.084 1.00 0.00 C ATOM 939 OE1 GLU A 58 -2.952 -6.158 0.756 1.00 0.00 O ATOM 940 OE2 GLU A 58 -3.919 -8.057 0.244 1.00 0.00 O ATOM 0 H GLU A 58 -5.822 -6.953 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.892 -4.313 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.715 -7.096 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.908 -5.615 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.809 -5.112 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.547 -6.638 -1.080 1.00 0.00 H new ATOM 947 N ALA A 59 -3.509 -3.946 -5.000 1.00 0.00 N ATOM 948 CA ALA A 59 -2.653 -3.694 -6.140 1.00 0.00 C ATOM 949 C ALA A 59 -1.225 -3.464 -5.671 1.00 0.00 C ATOM 950 O ALA A 59 -0.917 -2.441 -5.058 1.00 0.00 O ATOM 951 CB ALA A 59 -3.156 -2.499 -6.938 1.00 0.00 C ATOM 0 H ALA A 59 -3.843 -3.107 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.673 -4.566 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.498 -2.327 -7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.167 -2.699 -7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.164 -1.614 -6.302 1.00 0.00 H new ATOM 957 N ARG A 60 -0.372 -4.444 -5.918 1.00 0.00 N ATOM 958 CA ARG A 60 1.032 -4.339 -5.573 1.00 0.00 C ATOM 959 C ARG A 60 1.843 -3.902 -6.779 1.00 0.00 C ATOM 960 O ARG A 60 1.962 -4.640 -7.755 1.00 0.00 O ATOM 961 CB ARG A 60 1.572 -5.674 -5.052 1.00 0.00 C ATOM 962 CG ARG A 60 1.144 -6.012 -3.636 1.00 0.00 C ATOM 963 CD ARG A 60 1.820 -7.287 -3.159 1.00 0.00 C ATOM 964 NE ARG A 60 1.579 -7.549 -1.743 1.00 0.00 N ATOM 965 CZ ARG A 60 2.500 -8.048 -0.915 1.00 0.00 C ATOM 966 NH1 ARG A 60 3.714 -8.348 -1.370 1.00 0.00 N ATOM 967 NH2 ARG A 60 2.198 -8.252 0.363 1.00 0.00 N ATOM 0 H ARG A 60 -0.632 -5.326 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 60 1.125 -3.592 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.242 -6.471 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.661 -5.653 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.397 -5.189 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.061 -6.132 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.458 -8.129 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.893 -7.213 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 60 0.655 -7.339 -1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.942 -8.197 -2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.416 -8.729 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.265 -8.028 0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.899 -8.633 0.998 1.00 0.00 H new ATOM 981 N LEU A 61 2.370 -2.693 -6.718 1.00 0.00 N ATOM 982 CA LEU A 61 3.249 -2.189 -7.757 1.00 0.00 C ATOM 983 C LEU A 61 4.697 -2.320 -7.306 1.00 0.00 C ATOM 984 O LEU A 61 5.184 -1.516 -6.509 1.00 0.00 O ATOM 985 CB LEU A 61 2.932 -0.722 -8.063 1.00 0.00 C ATOM 986 CG LEU A 61 1.489 -0.433 -8.485 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.271 1.063 -8.641 1.00 0.00 C ATOM 988 CD2 LEU A 61 1.153 -1.158 -9.780 1.00 0.00 C ATOM 0 H LEU A 61 2.203 -2.038 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 61 3.094 -2.774 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.159 -0.127 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.599 -0.382 -8.855 1.00 0.00 H new ATOM 0 HG LEU A 61 0.823 -0.800 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.240 1.251 -8.941 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.469 1.560 -7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.947 1.452 -9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.123 -0.940 -10.063 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.825 -0.822 -10.570 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.270 -2.232 -9.636 1.00 0.00 H new ATOM 1000 N TYR A 62 5.371 -3.357 -7.783 1.00 0.00 N ATOM 1001 CA TYR A 62 6.767 -3.577 -7.436 1.00 0.00 C ATOM 1002 C TYR A 62 7.652 -2.675 -8.280 1.00 0.00 C ATOM 1003 O TYR A 62 7.992 -3.010 -9.416 1.00 0.00 O ATOM 1004 CB TYR A 62 7.180 -5.036 -7.652 1.00 0.00 C ATOM 1005 CG TYR A 62 6.319 -6.053 -6.932 1.00 0.00 C ATOM 1006 CD1 TYR A 62 6.743 -6.646 -5.752 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.087 -6.426 -7.444 1.00 0.00 C ATOM 1008 CE1 TYR A 62 5.962 -7.589 -5.107 1.00 0.00 C ATOM 1009 CE2 TYR A 62 4.300 -7.357 -6.808 1.00 0.00 C ATOM 1010 CZ TYR A 62 4.738 -7.937 -5.640 1.00 0.00 C ATOM 1011 OH TYR A 62 3.954 -8.878 -5.015 1.00 0.00 O ATOM 0 H TYR A 62 4.975 -4.057 -8.410 1.00 0.00 H new ATOM 0 HA TYR A 62 6.888 -3.342 -6.379 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.156 -5.251 -8.720 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.213 -5.159 -7.325 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.697 -6.368 -5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.737 -5.976 -8.362 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.308 -8.049 -4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.342 -7.632 -7.224 1.00 0.00 H new ATOM 0 HH TYR A 62 3.569 -9.480 -5.685 1.00 0.00 H new ATOM 1021 N LEU A 63 7.997 -1.523 -7.737 1.00 0.00 N ATOM 1022 CA LEU A 63 8.843 -0.579 -8.446 1.00 0.00 C ATOM 1023 C LEU A 63 10.302 -0.884 -8.144 1.00 0.00 C ATOM 1024 O LEU A 63 11.187 -0.664 -8.972 1.00 0.00 O ATOM 1025 CB LEU A 63 8.493 0.856 -8.039 1.00 0.00 C ATOM 1026 CG LEU A 63 9.198 1.953 -8.839 1.00 0.00 C ATOM 1027 CD1 LEU A 63 8.823 1.862 -10.312 1.00 0.00 C ATOM 1028 CD2 LEU A 63 8.847 3.321 -8.279 1.00 0.00 C ATOM 0 H LEU A 63 7.706 -1.218 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 63 8.676 -0.676 -9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.416 0.992 -8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.735 0.986 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 63 10.275 1.811 -8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.333 2.650 -10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.122 0.890 -10.704 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.745 1.981 -10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.355 4.092 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.769 3.473 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.164 3.380 -7.238 1.00 0.00 H new ATOM 1040 N GLY A 64 10.533 -1.414 -6.954 1.00 0.00 N ATOM 1041 CA GLY A 64 11.863 -1.806 -6.543 1.00 0.00 C ATOM 1042 C GLY A 64 11.807 -2.881 -5.479 1.00 0.00 C ATOM 1043 O GLY A 64 10.722 -3.340 -5.123 1.00 0.00 O ATOM 0 H GLY A 64 9.809 -1.582 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.421 -2.171 -7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.400 -0.938 -6.160 1.00 0.00 H new ATOM 1047 N LEU A 65 12.962 -3.277 -4.962 1.00 0.00 N ATOM 1048 CA LEU A 65 13.021 -4.315 -3.938 1.00 0.00 C ATOM 1049 C LEU A 65 12.359 -3.831 -2.653 1.00 0.00 C ATOM 1050 O LEU A 65 11.565 -4.544 -2.045 1.00 0.00 O ATOM 1051 CB LEU A 65 14.471 -4.741 -3.658 1.00 0.00 C ATOM 1052 CG LEU A 65 15.169 -5.529 -4.777 1.00 0.00 C ATOM 1053 CD1 LEU A 65 14.300 -6.689 -5.239 1.00 0.00 C ATOM 1054 CD2 LEU A 65 15.533 -4.625 -5.947 1.00 0.00 C ATOM 0 H LEU A 65 13.869 -2.897 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 65 12.479 -5.184 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.058 -3.846 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.482 -5.347 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 65 16.096 -5.935 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.812 -7.234 -6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.112 -7.359 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.352 -6.306 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.025 -5.213 -6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.628 -4.174 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.207 -3.840 -5.604 1.00 0.00 H new ATOM 1066 N ASP A 66 12.679 -2.609 -2.253 1.00 0.00 N ATOM 1067 CA ASP A 66 12.069 -2.012 -1.070 1.00 0.00 C ATOM 1068 C ASP A 66 11.075 -0.937 -1.466 1.00 0.00 C ATOM 1069 O ASP A 66 10.514 -0.242 -0.615 1.00 0.00 O ATOM 1070 CB ASP A 66 13.138 -1.426 -0.148 1.00 0.00 C ATOM 1071 CG ASP A 66 13.735 -2.460 0.784 1.00 0.00 C ATOM 1072 OD1 ASP A 66 13.555 -2.329 2.012 1.00 0.00 O ATOM 1073 OD2 ASP A 66 14.402 -3.399 0.296 1.00 0.00 O ATOM 0 H ASP A 66 13.356 -2.011 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 66 11.538 -2.797 -0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.931 -0.986 -0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.702 -0.620 0.442 1.00 0.00 H new ATOM 1078 N VAL A 67 10.846 -0.804 -2.760 1.00 0.00 N ATOM 1079 CA VAL A 67 9.915 0.179 -3.270 1.00 0.00 C ATOM 1080 C VAL A 67 8.640 -0.513 -3.728 1.00 0.00 C ATOM 1081 O VAL A 67 8.490 -0.860 -4.903 1.00 0.00 O ATOM 1082 CB VAL A 67 10.517 0.997 -4.431 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.598 2.140 -4.824 1.00 0.00 C ATOM 1084 CG2 VAL A 67 11.894 1.524 -4.061 1.00 0.00 C ATOM 0 H VAL A 67 11.297 -1.370 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 67 9.690 0.875 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 67 10.621 0.334 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.045 2.701 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.635 1.740 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.453 2.801 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.300 2.098 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.814 2.165 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.557 0.687 -3.840 1.00 0.00 H new ATOM 1094 N LEU A 68 7.744 -0.753 -2.788 1.00 0.00 N ATOM 1095 CA LEU A 68 6.490 -1.411 -3.088 1.00 0.00 C ATOM 1096 C LEU A 68 5.339 -0.431 -2.947 1.00 0.00 C ATOM 1097 O LEU A 68 5.099 0.116 -1.871 1.00 0.00 O ATOM 1098 CB LEU A 68 6.275 -2.611 -2.160 1.00 0.00 C ATOM 1099 CG LEU A 68 4.958 -3.367 -2.364 1.00 0.00 C ATOM 1100 CD1 LEU A 68 4.890 -3.970 -3.760 1.00 0.00 C ATOM 1101 CD2 LEU A 68 4.793 -4.447 -1.307 1.00 0.00 C ATOM 0 H LEU A 68 7.864 -0.500 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 68 6.527 -1.771 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.101 -3.309 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.320 -2.264 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 68 4.139 -2.656 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.946 -4.502 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.957 -3.175 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.718 -4.665 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.852 -4.973 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.620 -5.153 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.788 -3.990 -0.317 1.00 0.00 H new ATOM 1113 N ILE A 69 4.649 -0.184 -4.044 1.00 0.00 N ATOM 1114 CA ILE A 69 3.469 0.653 -4.013 1.00 0.00 C ATOM 1115 C ILE A 69 2.237 -0.226 -3.856 1.00 0.00 C ATOM 1116 O ILE A 69 1.698 -0.739 -4.834 1.00 0.00 O ATOM 1117 CB ILE A 69 3.342 1.518 -5.284 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.633 2.314 -5.512 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.147 2.459 -5.172 1.00 0.00 C ATOM 1120 CD1 ILE A 69 4.630 3.133 -6.786 1.00 0.00 C ATOM 0 H ILE A 69 4.886 -0.551 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 69 3.556 1.333 -3.166 1.00 0.00 H new ATOM 0 HB ILE A 69 3.182 0.861 -6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.793 2.980 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.475 1.623 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.072 3.062 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.235 1.875 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.279 3.113 -4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.576 3.667 -6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.503 2.472 -7.643 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.810 3.850 -6.756 1.00 0.00 H new ATOM 1132 N ARG A 70 1.828 -0.439 -2.616 1.00 0.00 N ATOM 1133 CA ARG A 70 0.688 -1.290 -2.338 1.00 0.00 C ATOM 1134 C ARG A 70 -0.519 -0.447 -1.955 1.00 0.00 C ATOM 1135 O ARG A 70 -0.469 0.372 -1.037 1.00 0.00 O ATOM 1136 CB ARG A 70 1.030 -2.341 -1.262 1.00 0.00 C ATOM 1137 CG ARG A 70 1.607 -1.789 0.039 1.00 0.00 C ATOM 1138 CD ARG A 70 0.522 -1.453 1.054 1.00 0.00 C ATOM 1139 NE ARG A 70 -0.363 -2.593 1.313 1.00 0.00 N ATOM 1140 CZ ARG A 70 -0.845 -2.913 2.515 1.00 0.00 C ATOM 1141 NH1 ARG A 70 -0.504 -2.206 3.587 1.00 0.00 N ATOM 1142 NH2 ARG A 70 -1.666 -3.950 2.642 1.00 0.00 N ATOM 0 H ARG A 70 2.268 -0.035 -1.790 1.00 0.00 H new ATOM 0 HA ARG A 70 0.431 -1.840 -3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.126 -2.903 -1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.744 -3.048 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.291 -2.520 0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.191 -0.894 -0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.986 -1.135 1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.068 -0.612 0.689 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.628 -3.180 0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.130 -1.413 3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.877 -2.457 4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.926 -4.498 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.037 -4.198 3.559 1.00 0.00 H new ATOM 1156 N MET A 71 -1.595 -0.629 -2.691 1.00 0.00 N ATOM 1157 CA MET A 71 -2.800 0.140 -2.466 1.00 0.00 C ATOM 1158 C MET A 71 -4.005 -0.778 -2.309 1.00 0.00 C ATOM 1159 O MET A 71 -4.313 -1.586 -3.189 1.00 0.00 O ATOM 1160 CB MET A 71 -3.008 1.139 -3.613 1.00 0.00 C ATOM 1161 CG MET A 71 -3.036 0.500 -4.995 1.00 0.00 C ATOM 1162 SD MET A 71 -3.018 1.713 -6.330 1.00 0.00 S ATOM 1163 CE MET A 71 -4.504 2.642 -5.975 1.00 0.00 C ATOM 0 H MET A 71 -1.660 -1.305 -3.452 1.00 0.00 H new ATOM 0 HA MET A 71 -2.691 0.701 -1.538 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.945 1.672 -3.451 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.210 1.881 -3.584 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.177 -0.162 -5.101 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.929 -0.119 -5.085 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.215 2.516 -6.791 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.947 2.279 -5.048 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.256 3.698 -5.869 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.658 -0.669 -1.164 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.864 -1.428 -0.894 1.00 0.00 C ATOM 1175 C GLU A 72 -7.028 -0.765 -1.610 1.00 0.00 C ATOM 1176 O GLU A 72 -7.340 0.402 -1.354 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.117 -1.484 0.612 1.00 0.00 C ATOM 1178 CG GLU A 72 -7.280 -2.371 1.012 1.00 0.00 C ATOM 1179 CD GLU A 72 -7.572 -2.289 2.492 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -6.877 -2.962 3.279 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -8.488 -1.535 2.876 1.00 0.00 O ATOM 0 H GLU A 72 -4.369 -0.056 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.753 -2.450 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.214 -1.841 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.303 -0.474 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.168 -2.080 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.058 -3.404 0.743 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.654 -1.494 -2.516 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.670 -0.920 -3.383 1.00 0.00 C ATOM 1190 C ILE A 73 -9.912 -1.797 -3.467 1.00 0.00 C ATOM 1191 O ILE A 73 -9.880 -2.983 -3.136 1.00 0.00 O ATOM 1192 CB ILE A 73 -8.114 -0.706 -4.808 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.447 -1.994 -5.302 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -7.140 0.464 -4.835 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.820 -1.886 -6.674 1.00 0.00 C ATOM 0 H ILE A 73 -7.477 -2.486 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.950 0.038 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.938 -0.463 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.679 -2.288 -4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.190 -2.791 -5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.760 0.598 -5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.653 1.372 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.309 0.261 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.371 -2.842 -6.945 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.586 -1.624 -7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.051 -1.114 -6.663 1.00 0.00 H new ATOM 1207 N SER A 74 -11.003 -1.192 -3.899 1.00 0.00 N ATOM 1208 CA SER A 74 -12.230 -1.915 -4.170 1.00 0.00 C ATOM 1209 C SER A 74 -12.595 -1.740 -5.639 1.00 0.00 C ATOM 1210 O SER A 74 -12.446 -0.649 -6.197 1.00 0.00 O ATOM 1211 CB SER A 74 -13.359 -1.407 -3.271 1.00 0.00 C ATOM 1212 OG SER A 74 -14.549 -2.148 -3.465 1.00 0.00 O ATOM 0 H SER A 74 -11.063 -0.188 -4.071 1.00 0.00 H new ATOM 0 HA SER A 74 -12.083 -2.974 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.053 -1.475 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.547 -0.354 -3.480 1.00 0.00 H new ATOM 0 HG SER A 74 -15.251 -1.800 -2.876 1.00 0.00 H new ATOM 1218 N LEU A 75 -13.051 -2.811 -6.267 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.383 -2.778 -7.681 1.00 0.00 C ATOM 1220 C LEU A 75 -14.728 -2.094 -7.894 1.00 0.00 C ATOM 1221 O LEU A 75 -15.768 -2.590 -7.458 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.393 -4.197 -8.253 1.00 0.00 C ATOM 1223 CG LEU A 75 -13.800 -4.311 -9.720 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -12.910 -3.448 -10.603 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -13.754 -5.762 -10.171 1.00 0.00 C ATOM 0 H LEU A 75 -13.200 -3.715 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.624 -2.202 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.397 -4.624 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.073 -4.806 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.823 -3.948 -9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.222 -3.548 -11.643 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.996 -2.405 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.874 -3.772 -10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.047 -5.827 -11.219 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.741 -6.148 -10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.441 -6.353 -9.565 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.699 -0.949 -8.559 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.903 -0.159 -8.763 1.00 0.00 C ATOM 1239 C ALA A 76 -16.600 -0.541 -10.062 1.00 0.00 C ATOM 1240 O ALA A 76 -17.806 -0.801 -10.075 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.569 1.326 -8.754 1.00 0.00 C ATOM 0 H ALA A 76 -13.855 -0.546 -8.966 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.588 -0.370 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.480 1.905 -8.908 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.127 1.594 -7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.861 1.545 -9.553 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.846 -0.584 -11.152 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.425 -0.886 -12.455 1.00 0.00 C ATOM 1249 C TRP A 77 -15.427 -1.587 -13.368 1.00 0.00 C ATOM 1250 O TRP A 77 -14.214 -1.404 -13.250 1.00 0.00 O ATOM 1251 CB TRP A 77 -16.938 0.395 -13.125 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.898 1.469 -13.279 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.543 2.402 -12.346 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -15.094 1.734 -14.436 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.562 3.221 -12.848 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.269 2.832 -14.130 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -14.986 1.143 -15.698 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.353 3.353 -15.040 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -14.079 1.662 -16.602 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.271 2.756 -16.268 1.00 0.00 C ATOM 0 H TRP A 77 -14.840 -0.415 -11.161 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.262 -1.565 -12.289 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.333 0.144 -14.109 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.768 0.790 -12.540 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.971 2.483 -11.358 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -14.122 3.994 -12.348 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.601 0.295 -15.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.730 4.198 -14.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -13.992 1.217 -17.582 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.569 3.136 -16.995 1.00 0.00 H new ATOM 1271 N ALA A 78 -15.958 -2.398 -14.268 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.161 -3.084 -15.271 1.00 0.00 C ATOM 1273 C ALA A 78 -15.802 -2.927 -16.643 1.00 0.00 C ATOM 1274 O ALA A 78 -16.905 -3.426 -16.879 1.00 0.00 O ATOM 1275 CB ALA A 78 -15.025 -4.555 -14.919 1.00 0.00 C ATOM 0 H ALA A 78 -16.956 -2.600 -14.324 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.166 -2.639 -15.295 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.426 -5.057 -15.679 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.538 -4.653 -13.949 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.014 -5.012 -14.877 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.118 -2.240 -17.544 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.666 -1.979 -18.869 1.00 0.00 C ATOM 1283 C ARG A 79 -14.737 -2.520 -19.947 1.00 0.00 C ATOM 1284 O ARG A 79 -13.592 -2.083 -20.060 1.00 0.00 O ATOM 1285 CB ARG A 79 -15.898 -0.478 -19.072 1.00 0.00 C ATOM 1286 CG ARG A 79 -16.673 -0.152 -20.340 1.00 0.00 C ATOM 1287 CD ARG A 79 -17.037 1.323 -20.415 1.00 0.00 C ATOM 1288 NE ARG A 79 -15.883 2.173 -20.722 1.00 0.00 N ATOM 1289 CZ ARG A 79 -15.624 3.330 -20.108 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -16.374 3.731 -19.084 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -14.606 4.077 -20.515 1.00 0.00 N ATOM 0 H ARG A 79 -14.187 -1.854 -17.385 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.625 -2.490 -18.948 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.439 -0.082 -18.213 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.934 0.030 -19.103 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.077 -0.424 -21.211 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.582 -0.753 -20.376 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.802 1.466 -21.178 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.471 1.635 -19.465 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.239 1.862 -21.449 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.152 3.153 -18.764 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -16.171 4.616 -18.619 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.025 3.767 -21.294 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.404 4.962 -20.049 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.251 -3.468 -20.729 1.00 0.00 N ATOM 1306 CA ASP A 80 -14.492 -4.135 -21.795 1.00 0.00 C ATOM 1307 C ASP A 80 -13.287 -4.885 -21.226 1.00 0.00 C ATOM 1308 O ASP A 80 -13.369 -6.079 -20.930 1.00 0.00 O ATOM 1309 CB ASP A 80 -14.045 -3.135 -22.872 1.00 0.00 C ATOM 1310 CG ASP A 80 -13.396 -3.812 -24.066 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -14.111 -4.116 -25.045 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -12.169 -4.042 -24.037 1.00 0.00 O ATOM 0 H ASP A 80 -16.212 -3.800 -20.643 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.156 -4.861 -22.264 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.908 -2.561 -23.210 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.342 -2.426 -22.435 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.177 -4.186 -21.071 1.00 0.00 N ATOM 1318 CA GLY A 81 -10.991 -4.776 -20.482 1.00 0.00 C ATOM 1319 C GLY A 81 -10.334 -3.829 -19.507 1.00 0.00 C ATOM 1320 O GLY A 81 -9.290 -4.134 -18.929 1.00 0.00 O ATOM 0 H GLY A 81 -12.073 -3.209 -21.345 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.258 -5.701 -19.970 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.284 -5.040 -21.269 1.00 0.00 H new ATOM 1324 N LEU A 82 -10.960 -2.677 -19.315 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.441 -1.659 -18.421 1.00 0.00 C ATOM 1326 C LEU A 82 -11.235 -1.660 -17.125 1.00 0.00 C ATOM 1327 O LEU A 82 -12.449 -1.444 -17.128 1.00 0.00 O ATOM 1328 CB LEU A 82 -10.518 -0.285 -19.089 1.00 0.00 C ATOM 1329 CG LEU A 82 -9.785 -0.176 -20.426 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -10.001 1.197 -21.043 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -8.300 -0.454 -20.244 1.00 0.00 C ATOM 0 H LEU A 82 -11.836 -2.425 -19.772 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.397 -1.879 -18.196 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.567 -0.031 -19.245 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.108 0.458 -18.405 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.194 -0.924 -21.105 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -9.472 1.256 -21.994 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.066 1.357 -21.210 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.620 1.963 -20.368 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.794 -0.372 -21.206 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.877 0.271 -19.548 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.164 -1.460 -19.847 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.557 -1.926 -16.024 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.217 -2.007 -14.731 1.00 0.00 C ATOM 1345 C LEU A 83 -10.750 -0.885 -13.818 1.00 0.00 C ATOM 1346 O LEU A 83 -9.548 -0.687 -13.628 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.964 -3.366 -14.070 1.00 0.00 C ATOM 1348 CG LEU A 83 -11.535 -4.577 -14.814 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.628 -5.006 -15.957 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.763 -5.729 -13.855 1.00 0.00 C ATOM 0 H LEU A 83 -9.551 -2.090 -15.997 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.289 -1.899 -14.896 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.888 -3.503 -13.961 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.387 -3.346 -13.065 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.493 -4.283 -15.243 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.063 -5.868 -16.463 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.522 -4.184 -16.665 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.648 -5.274 -15.563 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.169 -6.581 -14.400 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.817 -6.011 -13.393 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.468 -5.424 -13.081 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.709 -0.160 -13.261 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.402 0.964 -12.402 1.00 0.00 C ATOM 1364 C GLY A 84 -11.663 0.655 -10.944 1.00 0.00 C ATOM 1365 O GLY A 84 -12.767 0.250 -10.569 1.00 0.00 O ATOM 0 H GLY A 84 -12.706 -0.334 -13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.356 1.243 -12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.001 1.824 -12.703 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.644 0.837 -10.124 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.743 0.574 -8.696 1.00 0.00 C ATOM 1371 C PHE A 85 -10.712 1.882 -7.913 1.00 0.00 C ATOM 1372 O PHE A 85 -9.998 2.813 -8.284 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.585 -0.316 -8.237 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.528 -1.667 -8.899 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -9.056 -1.804 -10.195 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -9.932 -2.801 -8.217 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -8.990 -3.045 -10.796 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -9.869 -4.046 -8.813 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.397 -4.168 -10.105 1.00 0.00 C ATOM 0 H PHE A 85 -9.728 1.170 -10.425 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.687 0.063 -8.508 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.647 0.206 -8.426 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.659 -0.458 -7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.736 -0.929 -10.741 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.301 -2.712 -7.206 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.620 -3.137 -11.806 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.189 -4.923 -8.269 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.347 -5.140 -10.573 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.484 1.940 -6.836 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.488 3.095 -5.944 1.00 0.00 C ATOM 1391 C GLU A 86 -10.597 2.793 -4.741 1.00 0.00 C ATOM 1392 O GLU A 86 -10.570 1.655 -4.257 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.925 3.411 -5.504 1.00 0.00 C ATOM 1394 CG GLU A 86 -13.056 4.594 -4.551 1.00 0.00 C ATOM 1395 CD GLU A 86 -12.530 5.896 -5.128 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -11.456 6.347 -4.689 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -13.198 6.482 -6.009 1.00 0.00 O ATOM 0 H GLU A 86 -12.121 1.194 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.097 3.971 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.527 3.609 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.346 2.527 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.105 4.721 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.518 4.370 -3.630 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.864 3.790 -4.264 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.872 3.560 -3.223 1.00 0.00 C ATOM 1406 C CYS A 87 -9.516 3.479 -1.843 1.00 0.00 C ATOM 1407 O CYS A 87 -10.429 4.238 -1.513 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.796 4.650 -3.244 1.00 0.00 C ATOM 1409 SG CYS A 87 -8.411 6.321 -2.947 1.00 0.00 S ATOM 0 H CYS A 87 -9.936 4.758 -4.578 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.400 2.600 -3.430 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.045 4.415 -2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.295 4.628 -4.212 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.443 7.174 -3.104 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.049 2.526 -1.049 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.491 2.385 0.328 1.00 0.00 C ATOM 1417 C GLN A 88 -8.348 2.714 1.279 1.00 0.00 C ATOM 1418 O GLN A 88 -8.547 3.369 2.301 1.00 0.00 O ATOM 1419 CB GLN A 88 -9.998 0.966 0.584 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.226 0.607 -0.235 1.00 0.00 C ATOM 1421 CD GLN A 88 -11.665 -0.830 -0.038 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -12.850 -1.145 -0.122 1.00 0.00 O ATOM 1423 NE2 GLN A 88 -10.717 -1.713 0.225 1.00 0.00 N ATOM 0 H GLN A 88 -8.358 1.834 -1.340 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.310 3.082 0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.201 0.257 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.232 0.857 1.643 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.045 1.273 0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.015 0.776 -1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.744 -1.413 0.287 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.959 -2.694 0.366 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.150 2.254 0.942 1.00 0.00 N ATOM 1433 CA HIS A 89 -5.968 2.568 1.731 1.00 0.00 C ATOM 1434 C HIS A 89 -4.708 2.500 0.884 1.00 0.00 C ATOM 1435 O HIS A 89 -4.172 1.420 0.633 1.00 0.00 O ATOM 1436 CB HIS A 89 -5.832 1.617 2.930 1.00 0.00 C ATOM 1437 CG HIS A 89 -4.615 1.872 3.780 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -4.510 2.932 4.656 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -3.442 1.195 3.876 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -3.330 2.898 5.248 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -2.662 1.854 4.794 1.00 0.00 N ATOM 0 H HIS A 89 -6.972 1.664 0.129 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.090 3.586 2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -6.722 1.705 3.553 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.799 0.591 2.564 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.172 0.303 3.331 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -2.972 3.606 5.981 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -1.721 1.582 5.078 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.253 3.649 0.430 1.00 0.00 N ATOM 1451 CA ILE A 90 -2.932 3.756 -0.155 1.00 0.00 C ATOM 1452 C ILE A 90 -1.970 4.173 0.944 1.00 0.00 C ATOM 1453 O ILE A 90 -2.080 5.273 1.484 1.00 0.00 O ATOM 1454 CB ILE A 90 -2.885 4.774 -1.316 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -3.964 4.446 -2.355 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.507 4.764 -1.964 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -4.017 5.422 -3.509 1.00 0.00 C ATOM 0 H ILE A 90 -4.778 4.523 0.455 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.653 2.790 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.078 5.770 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.786 3.444 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.936 4.427 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.484 5.485 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.754 5.032 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.295 3.768 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.804 5.124 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.227 6.422 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.059 5.424 -4.028 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.067 3.279 1.312 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.208 3.504 2.466 1.00 0.00 C ATOM 1471 C ASP A 91 0.725 4.681 2.219 1.00 0.00 C ATOM 1472 O ASP A 91 1.122 4.924 1.079 1.00 0.00 O ATOM 1473 CB ASP A 91 0.599 2.248 2.776 1.00 0.00 C ATOM 1474 CG ASP A 91 0.941 2.149 4.243 1.00 0.00 C ATOM 1475 OD1 ASP A 91 0.117 1.594 5.005 1.00 0.00 O ATOM 1476 OD2 ASP A 91 2.020 2.628 4.646 1.00 0.00 O ATOM 0 H ASP A 91 -0.909 2.393 0.831 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.838 3.738 3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.031 1.368 2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.517 2.252 2.188 1.00 0.00 H new ATOM 1481 N LEU A 92 1.072 5.409 3.280 1.00 0.00 N ATOM 1482 CA LEU A 92 1.926 6.591 3.161 1.00 0.00 C ATOM 1483 C LEU A 92 3.246 6.231 2.495 1.00 0.00 C ATOM 1484 O LEU A 92 3.811 7.023 1.744 1.00 0.00 O ATOM 1485 CB LEU A 92 2.194 7.208 4.534 1.00 0.00 C ATOM 1486 CG LEU A 92 2.939 8.543 4.509 1.00 0.00 C ATOM 1487 CD1 LEU A 92 2.126 9.597 3.774 1.00 0.00 C ATOM 1488 CD2 LEU A 92 3.255 9.001 5.924 1.00 0.00 C ATOM 0 H LEU A 92 0.774 5.201 4.233 1.00 0.00 H new ATOM 0 HA LEU A 92 1.403 7.321 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.241 7.351 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.770 6.499 5.128 1.00 0.00 H new ATOM 0 HG LEU A 92 3.878 8.403 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.673 10.540 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.951 9.272 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.170 9.736 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.785 9.953 5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.327 9.123 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.880 8.256 6.417 1.00 0.00 H new ATOM 1500 N ASP A 93 3.725 5.028 2.774 1.00 0.00 N ATOM 1501 CA ASP A 93 4.915 4.506 2.122 1.00 0.00 C ATOM 1502 C ASP A 93 4.718 4.490 0.615 1.00 0.00 C ATOM 1503 O ASP A 93 5.492 5.083 -0.135 1.00 0.00 O ATOM 1504 CB ASP A 93 5.208 3.094 2.620 1.00 0.00 C ATOM 1505 CG ASP A 93 6.282 2.400 1.806 1.00 0.00 C ATOM 1506 OD1 ASP A 93 5.935 1.630 0.892 1.00 0.00 O ATOM 1507 OD2 ASP A 93 7.481 2.626 2.068 1.00 0.00 O ATOM 0 H ASP A 93 3.304 4.392 3.452 1.00 0.00 H new ATOM 0 HA ASP A 93 5.760 5.151 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.520 3.138 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.293 2.503 2.586 1.00 0.00 H new ATOM 1512 N SER A 94 3.653 3.839 0.182 1.00 0.00 N ATOM 1513 CA SER A 94 3.345 3.726 -1.227 1.00 0.00 C ATOM 1514 C SER A 94 3.063 5.100 -1.837 1.00 0.00 C ATOM 1515 O SER A 94 3.455 5.371 -2.972 1.00 0.00 O ATOM 1516 CB SER A 94 2.158 2.787 -1.405 1.00 0.00 C ATOM 1517 OG SER A 94 2.411 1.550 -0.751 1.00 0.00 O ATOM 0 H SER A 94 2.982 3.377 0.796 1.00 0.00 H new ATOM 0 HA SER A 94 4.206 3.313 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.257 3.245 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.976 2.616 -2.466 1.00 0.00 H new ATOM 0 HG SER A 94 1.593 1.241 -0.309 1.00 0.00 H new ATOM 1523 N ILE A 95 2.407 5.968 -1.069 1.00 0.00 N ATOM 1524 CA ILE A 95 2.155 7.338 -1.498 1.00 0.00 C ATOM 1525 C ILE A 95 3.467 8.069 -1.756 1.00 0.00 C ATOM 1526 O ILE A 95 3.631 8.721 -2.788 1.00 0.00 O ATOM 1527 CB ILE A 95 1.334 8.132 -0.454 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.056 7.518 -0.280 1.00 0.00 C ATOM 1529 CG2 ILE A 95 1.216 9.595 -0.867 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -0.907 8.220 0.758 1.00 0.00 C ATOM 0 H ILE A 95 2.040 5.744 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 95 1.575 7.277 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 95 1.857 8.080 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.576 7.540 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.052 6.470 0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.635 10.138 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.211 10.033 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.717 9.661 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.878 7.729 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.410 8.175 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.047 9.262 0.470 1.00 0.00 H new ATOM 1542 N SER A 96 4.411 7.941 -0.826 1.00 0.00 N ATOM 1543 CA SER A 96 5.684 8.633 -0.955 1.00 0.00 C ATOM 1544 C SER A 96 6.446 8.127 -2.181 1.00 0.00 C ATOM 1545 O SER A 96 7.083 8.909 -2.887 1.00 0.00 O ATOM 1546 CB SER A 96 6.526 8.474 0.323 1.00 0.00 C ATOM 1547 OG SER A 96 6.944 7.135 0.515 1.00 0.00 O ATOM 0 H SER A 96 4.317 7.371 0.014 1.00 0.00 H new ATOM 0 HA SER A 96 5.485 9.696 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.400 9.123 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.944 8.800 1.185 1.00 0.00 H new ATOM 0 HG SER A 96 6.173 6.536 0.432 1.00 0.00 H new ATOM 1553 N HIS A 97 6.345 6.825 -2.453 1.00 0.00 N ATOM 1554 CA HIS A 97 6.985 6.242 -3.630 1.00 0.00 C ATOM 1555 C HIS A 97 6.338 6.777 -4.904 1.00 0.00 C ATOM 1556 O HIS A 97 7.023 7.267 -5.802 1.00 0.00 O ATOM 1557 CB HIS A 97 6.888 4.706 -3.631 1.00 0.00 C ATOM 1558 CG HIS A 97 7.535 4.027 -2.460 1.00 0.00 C ATOM 1559 ND1 HIS A 97 8.814 4.296 -2.033 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.055 3.084 -1.619 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.089 3.550 -0.980 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.038 2.806 -0.704 1.00 0.00 N ATOM 0 H HIS A 97 5.829 6.159 -1.878 1.00 0.00 H new ATOM 0 HA HIS A 97 8.037 6.524 -3.596 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.836 4.424 -3.659 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.343 4.329 -4.547 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.451 4.967 -2.463 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.075 2.632 -1.660 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.021 3.550 -0.435 1.00 0.00 H new ATOM 1571 N LEU A 98 5.010 6.694 -4.955 1.00 0.00 N ATOM 1572 CA LEU A 98 4.249 7.074 -6.141 1.00 0.00 C ATOM 1573 C LEU A 98 4.404 8.561 -6.452 1.00 0.00 C ATOM 1574 O LEU A 98 4.654 8.937 -7.598 1.00 0.00 O ATOM 1575 CB LEU A 98 2.768 6.728 -5.952 1.00 0.00 C ATOM 1576 CG LEU A 98 1.869 7.017 -7.159 1.00 0.00 C ATOM 1577 CD1 LEU A 98 2.292 6.184 -8.360 1.00 0.00 C ATOM 1578 CD2 LEU A 98 0.413 6.750 -6.810 1.00 0.00 C ATOM 0 H LEU A 98 4.435 6.363 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 98 4.645 6.511 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.688 5.669 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.388 7.285 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 98 1.976 8.069 -7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.640 6.406 -9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.322 6.423 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.218 5.125 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.213 6.960 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.294 5.706 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.114 7.393 -5.982 1.00 0.00 H new ATOM 1590 N ARG A 99 4.261 9.401 -5.428 1.00 0.00 N ATOM 1591 CA ARG A 99 4.372 10.843 -5.608 1.00 0.00 C ATOM 1592 C ARG A 99 5.723 11.210 -6.195 1.00 0.00 C ATOM 1593 O ARG A 99 5.794 11.844 -7.241 1.00 0.00 O ATOM 1594 CB ARG A 99 4.177 11.594 -4.290 1.00 0.00 C ATOM 1595 CG ARG A 99 4.388 13.096 -4.433 1.00 0.00 C ATOM 1596 CD ARG A 99 4.331 13.806 -3.095 1.00 0.00 C ATOM 1597 NE ARG A 99 4.587 15.239 -3.225 1.00 0.00 N ATOM 1598 CZ ARG A 99 3.985 16.171 -2.486 1.00 0.00 C ATOM 1599 NH1 ARG A 99 3.045 15.825 -1.609 1.00 0.00 N ATOM 1600 NH2 ARG A 99 4.307 17.447 -2.638 1.00 0.00 N ATOM 0 H ARG A 99 4.069 9.107 -4.470 1.00 0.00 H new ATOM 0 HA ARG A 99 3.581 11.139 -6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.171 11.407 -3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.872 11.203 -3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.354 13.284 -4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.626 13.508 -5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.351 13.652 -2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.065 13.366 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 99 5.266 15.544 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.784 14.845 -1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.586 16.540 -1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.016 17.716 -3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.846 18.160 -2.073 1.00 0.00 H new ATOM 1614 N ARG A 100 6.793 10.790 -5.528 1.00 0.00 N ATOM 1615 CA ARG A 100 8.139 11.144 -5.957 1.00 0.00 C ATOM 1616 C ARG A 100 8.423 10.614 -7.358 1.00 0.00 C ATOM 1617 O ARG A 100 9.115 11.254 -8.139 1.00 0.00 O ATOM 1618 CB ARG A 100 9.182 10.629 -4.962 1.00 0.00 C ATOM 1619 CG ARG A 100 9.070 11.277 -3.589 1.00 0.00 C ATOM 1620 CD ARG A 100 10.190 10.846 -2.654 1.00 0.00 C ATOM 1621 NE ARG A 100 10.169 9.411 -2.365 1.00 0.00 N ATOM 1622 CZ ARG A 100 10.163 8.901 -1.132 1.00 0.00 C ATOM 1623 NH1 ARG A 100 10.115 9.701 -0.072 1.00 0.00 N ATOM 1624 NH2 ARG A 100 10.207 7.587 -0.961 1.00 0.00 N ATOM 0 H ARG A 100 6.754 10.207 -4.692 1.00 0.00 H new ATOM 0 HA ARG A 100 8.205 12.232 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.073 9.549 -4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.179 10.812 -5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 100 9.088 12.361 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.109 11.018 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.150 11.108 -3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.110 11.401 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 100 10.158 8.763 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.082 10.713 -0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.111 9.303 0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.245 6.968 -1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.203 7.195 -0.019 1.00 0.00 H new ATOM 1638 N LEU A 101 7.861 9.458 -7.681 1.00 0.00 N ATOM 1639 CA LEU A 101 8.039 8.866 -8.999 1.00 0.00 C ATOM 1640 C LEU A 101 7.494 9.788 -10.092 1.00 0.00 C ATOM 1641 O LEU A 101 8.213 10.162 -11.020 1.00 0.00 O ATOM 1642 CB LEU A 101 7.345 7.504 -9.064 1.00 0.00 C ATOM 1643 CG LEU A 101 7.464 6.768 -10.401 1.00 0.00 C ATOM 1644 CD1 LEU A 101 8.917 6.439 -10.710 1.00 0.00 C ATOM 1645 CD2 LEU A 101 6.621 5.504 -10.380 1.00 0.00 C ATOM 0 H LEU A 101 7.277 8.911 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 101 9.107 8.730 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.757 6.868 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.288 7.643 -8.838 1.00 0.00 H new ATOM 0 HG LEU A 101 7.092 7.422 -11.190 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.977 5.916 -11.665 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.495 7.361 -10.765 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.322 5.803 -9.922 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.714 4.989 -11.336 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.967 4.849 -9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.577 5.766 -10.209 1.00 0.00 H new ATOM 1657 N VAL A 102 6.227 10.168 -9.968 1.00 0.00 N ATOM 1658 CA VAL A 102 5.579 11.013 -10.969 1.00 0.00 C ATOM 1659 C VAL A 102 6.157 12.428 -10.944 1.00 0.00 C ATOM 1660 O VAL A 102 6.407 13.031 -11.989 1.00 0.00 O ATOM 1661 CB VAL A 102 4.049 11.084 -10.747 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.380 11.941 -11.816 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.440 9.691 -10.728 1.00 0.00 C ATOM 0 H VAL A 102 5.627 9.906 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 102 5.771 10.560 -11.942 1.00 0.00 H new ATOM 0 HB VAL A 102 3.875 11.550 -9.777 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.305 11.974 -11.636 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.785 12.952 -11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.570 11.511 -12.799 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.364 9.766 -10.571 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.634 9.196 -11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.885 9.110 -9.920 1.00 0.00 H new ATOM 1673 N GLU A 103 6.391 12.933 -9.742 1.00 0.00 N ATOM 1674 CA GLU A 103 6.843 14.304 -9.549 1.00 0.00 C ATOM 1675 C GLU A 103 8.270 14.500 -10.064 1.00 0.00 C ATOM 1676 O GLU A 103 8.607 15.561 -10.585 1.00 0.00 O ATOM 1677 CB GLU A 103 6.732 14.669 -8.066 1.00 0.00 C ATOM 1678 CG GLU A 103 6.954 16.139 -7.764 1.00 0.00 C ATOM 1679 CD GLU A 103 6.175 16.601 -6.547 1.00 0.00 C ATOM 1680 OE1 GLU A 103 6.555 16.252 -5.411 1.00 0.00 O ATOM 1681 OE2 GLU A 103 5.179 17.331 -6.724 1.00 0.00 O ATOM 0 H GLU A 103 6.274 12.407 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 103 6.205 14.971 -10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.744 14.382 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.458 14.081 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.017 16.318 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.659 16.734 -8.629 1.00 0.00 H new ATOM 1688 N LEU A 104 9.100 13.470 -9.941 1.00 0.00 N ATOM 1689 CA LEU A 104 10.473 13.536 -10.440 1.00 0.00 C ATOM 1690 C LEU A 104 10.525 13.346 -11.951 1.00 0.00 C ATOM 1691 O LEU A 104 11.556 13.585 -12.579 1.00 0.00 O ATOM 1692 CB LEU A 104 11.356 12.491 -9.757 1.00 0.00 C ATOM 1693 CG LEU A 104 11.690 12.772 -8.292 1.00 0.00 C ATOM 1694 CD1 LEU A 104 12.506 11.632 -7.709 1.00 0.00 C ATOM 1695 CD2 LEU A 104 12.443 14.087 -8.159 1.00 0.00 C ATOM 0 H LEU A 104 8.850 12.583 -9.503 1.00 0.00 H new ATOM 0 HA LEU A 104 10.854 14.529 -10.203 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.859 11.523 -9.820 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.289 12.407 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 104 10.757 12.852 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.736 11.846 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.934 10.706 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.434 11.524 -8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.672 14.270 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.370 14.034 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.827 14.900 -8.543 1.00 0.00 H new ATOM 1707 N ASN A 105 9.418 12.905 -12.535 1.00 0.00 N ATOM 1708 CA ASN A 105 9.342 12.739 -13.983 1.00 0.00 C ATOM 1709 C ASN A 105 8.621 13.914 -14.626 1.00 0.00 C ATOM 1710 O ASN A 105 8.624 14.054 -15.847 1.00 0.00 O ATOM 1711 CB ASN A 105 8.652 11.423 -14.360 1.00 0.00 C ATOM 1712 CG ASN A 105 9.608 10.245 -14.336 1.00 0.00 C ATOM 1713 OD1 ASN A 105 10.255 9.935 -15.335 1.00 0.00 O ATOM 1714 ND2 ASN A 105 9.698 9.573 -13.200 1.00 0.00 N ATOM 0 H ASN A 105 8.565 12.657 -12.033 1.00 0.00 H new ATOM 0 HA ASN A 105 10.363 12.707 -14.362 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.830 11.235 -13.669 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.217 11.515 -15.355 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.320 8.768 -13.132 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.145 9.860 -12.392 1.00 0.00 H new ATOM 1721 N LEU A 106 8.002 14.752 -13.788 1.00 0.00 N ATOM 1722 CA LEU A 106 7.346 15.980 -14.247 1.00 0.00 C ATOM 1723 C LEU A 106 6.239 15.669 -15.251 1.00 0.00 C ATOM 1724 O LEU A 106 6.043 16.397 -16.225 1.00 0.00 O ATOM 1725 CB LEU A 106 8.379 16.930 -14.869 1.00 0.00 C ATOM 1726 CG LEU A 106 9.504 17.372 -13.927 1.00 0.00 C ATOM 1727 CD1 LEU A 106 10.558 18.162 -14.685 1.00 0.00 C ATOM 1728 CD2 LEU A 106 8.945 18.199 -12.777 1.00 0.00 C ATOM 0 H LEU A 106 7.942 14.600 -12.781 1.00 0.00 H new ATOM 0 HA LEU A 106 6.891 16.466 -13.384 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.823 16.442 -15.736 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.861 17.817 -15.233 1.00 0.00 H new ATOM 0 HG LEU A 106 9.974 16.479 -13.514 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.348 18.467 -13.999 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.982 17.540 -15.473 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.101 19.047 -15.128 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.759 18.504 -12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.448 19.084 -13.173 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.228 17.602 -12.214 1.00 0.00 H new ATOM 1740 N GLY A 107 5.505 14.595 -14.996 1.00 0.00 N ATOM 1741 CA GLY A 107 4.457 14.186 -15.909 1.00 0.00 C ATOM 1742 C GLY A 107 3.079 14.612 -15.445 1.00 0.00 C ATOM 1743 O GLY A 107 2.134 13.833 -15.532 1.00 0.00 O ATOM 0 H GLY A 107 5.616 14.000 -14.175 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.652 14.611 -16.894 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.480 13.102 -16.020 1.00 0.00 H new ATOM 1747 N ASP A 108 2.980 15.852 -14.960 1.00 0.00 N ATOM 1748 CA ASP A 108 1.719 16.425 -14.468 1.00 0.00 C ATOM 1749 C ASP A 108 1.238 15.756 -13.188 1.00 0.00 C ATOM 1750 O ASP A 108 0.873 14.578 -13.173 1.00 0.00 O ATOM 1751 CB ASP A 108 0.606 16.360 -15.521 1.00 0.00 C ATOM 1752 CG ASP A 108 0.763 17.398 -16.608 1.00 0.00 C ATOM 1753 OD1 ASP A 108 0.620 18.604 -16.311 1.00 0.00 O ATOM 1754 OD2 ASP A 108 1.003 17.012 -17.770 1.00 0.00 O ATOM 0 H ASP A 108 3.773 16.491 -14.896 1.00 0.00 H new ATOM 0 HA ASP A 108 1.939 17.470 -14.252 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.597 15.368 -15.972 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.358 16.497 -15.032 1.00 0.00 H new ATOM 1759 N GLU A 109 1.206 16.528 -12.114 1.00 0.00 N ATOM 1760 CA GLU A 109 0.681 16.047 -10.844 1.00 0.00 C ATOM 1761 C GLU A 109 -0.835 15.900 -10.927 1.00 0.00 C ATOM 1762 O GLU A 109 -1.445 15.188 -10.130 1.00 0.00 O ATOM 1763 CB GLU A 109 1.053 16.997 -9.695 1.00 0.00 C ATOM 1764 CG GLU A 109 0.354 18.355 -9.738 1.00 0.00 C ATOM 1765 CD GLU A 109 0.817 19.230 -10.885 1.00 0.00 C ATOM 1766 OE1 GLU A 109 0.169 19.218 -11.951 1.00 0.00 O ATOM 1767 OE2 GLU A 109 1.839 19.925 -10.727 1.00 0.00 O ATOM 0 H GLU A 109 1.538 17.492 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 109 1.128 15.074 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.816 16.511 -8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.131 17.158 -9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.722 18.200 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.530 18.877 -8.797 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.433 16.574 -11.912 1.00 0.00 N ATOM 1775 CA GLU A 110 -2.879 16.539 -12.120 1.00 0.00 C ATOM 1776 C GLU A 110 -3.358 15.118 -12.383 1.00 0.00 C ATOM 1777 O GLU A 110 -4.508 14.777 -12.106 1.00 0.00 O ATOM 1778 CB GLU A 110 -3.273 17.443 -13.288 1.00 0.00 C ATOM 1779 CG GLU A 110 -2.693 18.841 -13.186 1.00 0.00 C ATOM 1780 CD GLU A 110 -3.265 19.800 -14.206 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -3.463 20.982 -13.857 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -3.523 19.381 -15.354 1.00 0.00 O ATOM 0 H GLU A 110 -0.931 17.155 -12.583 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.357 16.903 -11.210 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.941 16.986 -14.220 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.360 17.510 -13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.878 19.232 -12.186 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.612 18.789 -13.313 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.465 14.280 -12.895 1.00 0.00 N ATOM 1790 CA LEU A 111 -2.796 12.891 -13.161 1.00 0.00 C ATOM 1791 C LEU A 111 -3.092 12.148 -11.857 1.00 0.00 C ATOM 1792 O LEU A 111 -3.767 11.120 -11.852 1.00 0.00 O ATOM 1793 CB LEU A 111 -1.671 12.209 -13.943 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.478 12.726 -15.373 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -0.326 12.010 -16.052 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.753 12.549 -16.181 1.00 0.00 C ATOM 0 H LEU A 111 -1.508 14.540 -13.133 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.696 12.862 -13.775 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.737 12.338 -13.396 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.872 11.138 -13.983 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.242 13.789 -15.320 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.207 12.392 -17.066 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.592 12.182 -15.489 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.534 10.941 -16.090 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.597 12.922 -17.193 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.015 11.492 -16.220 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.563 13.107 -15.710 1.00 0.00 H new ATOM 1808 N LEU A 112 -2.616 12.686 -10.747 1.00 0.00 N ATOM 1809 CA LEU A 112 -2.901 12.108 -9.443 1.00 0.00 C ATOM 1810 C LEU A 112 -4.089 12.813 -8.792 1.00 0.00 C ATOM 1811 O LEU A 112 -4.640 12.334 -7.800 1.00 0.00 O ATOM 1812 CB LEU A 112 -1.673 12.210 -8.535 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.420 11.494 -9.044 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.756 11.752 -8.114 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -0.675 9.998 -9.176 1.00 0.00 C ATOM 0 H LEU A 112 -2.031 13.521 -10.722 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.151 11.056 -9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.435 13.264 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.931 11.804 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.175 11.890 -10.029 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.638 11.235 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.955 12.823 -8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.519 11.383 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.227 9.506 -9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.946 9.588 -8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.489 9.828 -9.880 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.509 13.922 -9.388 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.518 14.791 -8.791 1.00 0.00 C ATOM 1829 C GLU A 113 -6.837 14.733 -9.561 1.00 0.00 C ATOM 1830 O GLU A 113 -7.668 15.636 -9.452 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.004 16.233 -8.767 1.00 0.00 C ATOM 1832 CG GLU A 113 -3.757 16.431 -7.922 1.00 0.00 C ATOM 1833 CD GLU A 113 -4.006 16.186 -6.447 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -3.594 15.124 -5.935 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -4.613 17.055 -5.796 1.00 0.00 O ATOM 0 H GLU A 113 -4.163 14.244 -10.292 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.704 14.442 -7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.792 16.549 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.793 16.883 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.975 15.757 -8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.387 17.447 -8.060 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.032 13.672 -10.336 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.261 13.505 -11.104 1.00 0.00 C ATOM 1844 C ARG A 114 -9.299 12.732 -10.291 1.00 0.00 C ATOM 1845 O ARG A 114 -9.157 12.571 -9.081 1.00 0.00 O ATOM 1846 CB ARG A 114 -7.964 12.761 -12.407 1.00 0.00 C ATOM 1847 CG ARG A 114 -7.126 13.553 -13.399 1.00 0.00 C ATOM 1848 CD ARG A 114 -6.596 12.660 -14.512 1.00 0.00 C ATOM 1849 NE ARG A 114 -5.604 11.706 -14.016 1.00 0.00 N ATOM 1850 CZ ARG A 114 -5.373 10.505 -14.553 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -6.080 10.082 -15.586 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -4.431 9.721 -14.047 1.00 0.00 N ATOM 0 H ARG A 114 -6.357 12.916 -10.449 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.663 14.491 -11.336 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.446 11.831 -12.172 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.907 12.489 -12.881 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.727 14.354 -13.828 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.292 14.024 -12.879 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.424 12.119 -14.969 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.149 13.277 -15.292 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.050 11.977 -13.203 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.810 10.674 -15.981 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -5.895 9.163 -15.988 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.882 10.035 -13.247 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.256 8.804 -14.458 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.332 12.249 -10.962 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.331 11.392 -10.337 1.00 0.00 C ATOM 1868 C GLU A 115 -11.399 10.093 -11.127 1.00 0.00 C ATOM 1869 O GLU A 115 -11.125 10.107 -12.320 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.696 12.087 -10.321 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.727 11.386 -9.454 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.313 11.335 -8.001 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -12.583 10.398 -7.615 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -13.695 12.244 -7.242 1.00 0.00 O ATOM 0 H GLU A 115 -10.503 12.437 -11.950 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.055 11.184 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.569 13.109 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.074 12.149 -11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -14.683 11.903 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.879 10.371 -9.822 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.712 8.975 -10.472 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.756 7.675 -11.159 1.00 0.00 C ATOM 1883 C LEU A 116 -12.623 7.737 -12.417 1.00 0.00 C ATOM 1884 O LEU A 116 -12.267 7.173 -13.451 1.00 0.00 O ATOM 1885 CB LEU A 116 -12.271 6.579 -10.219 1.00 0.00 C ATOM 1886 CG LEU A 116 -12.327 5.169 -10.817 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.934 4.691 -11.203 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.966 4.201 -9.831 1.00 0.00 C ATOM 0 H LEU A 116 -11.937 8.938 -9.478 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.737 7.431 -11.460 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.634 6.555 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.272 6.853 -9.884 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.938 5.203 -11.719 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.997 3.688 -11.625 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.508 5.370 -11.942 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.298 4.673 -10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.999 3.204 -10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.378 4.175 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.980 4.531 -9.603 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.748 8.439 -12.326 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.636 8.639 -13.471 1.00 0.00 C ATOM 1902 C ALA A 117 -13.920 9.331 -14.634 1.00 0.00 C ATOM 1903 O ALA A 117 -14.268 9.127 -15.797 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.849 9.454 -13.051 1.00 0.00 C ATOM 0 H ALA A 117 -14.070 8.883 -11.466 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.956 7.656 -13.817 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.505 9.598 -13.909 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.389 8.924 -12.266 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.523 10.424 -12.676 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.913 10.134 -14.309 1.00 0.00 N ATOM 1911 CA LEU A 118 -12.176 10.901 -15.311 1.00 0.00 C ATOM 1912 C LEU A 118 -11.047 10.076 -15.916 1.00 0.00 C ATOM 1913 O LEU A 118 -10.521 10.409 -16.978 1.00 0.00 O ATOM 1914 CB LEU A 118 -11.577 12.167 -14.685 1.00 0.00 C ATOM 1915 CG LEU A 118 -12.568 13.092 -13.980 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -11.839 14.294 -13.397 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -13.659 13.541 -14.940 1.00 0.00 C ATOM 0 H LEU A 118 -12.585 10.272 -13.353 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.882 11.173 -16.096 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.813 11.868 -13.967 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.074 12.734 -15.468 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.039 12.541 -13.166 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.555 14.946 -12.897 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.094 13.954 -12.678 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.345 14.844 -14.198 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.354 14.199 -14.419 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.210 14.077 -15.776 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.196 12.669 -15.314 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.664 9.006 -15.233 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.503 8.229 -15.643 1.00 0.00 C ATOM 1931 C LEU A 119 -9.813 7.330 -16.829 1.00 0.00 C ATOM 1932 O LEU A 119 -10.590 6.378 -16.730 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.942 7.410 -14.472 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.840 8.113 -13.668 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -8.310 9.470 -13.185 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -7.391 7.268 -12.487 1.00 0.00 C ATOM 0 H LEU A 119 -11.136 8.658 -14.399 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.739 8.939 -15.960 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.760 7.158 -13.798 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.547 6.471 -14.859 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.988 8.251 -14.333 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.513 9.950 -12.617 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.570 10.091 -14.042 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.185 9.346 -12.547 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.610 7.795 -11.939 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.239 7.086 -11.826 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.002 6.316 -12.848 1.00 0.00 H new ATOM 1948 N VAL A 120 -9.220 7.679 -17.962 1.00 0.00 N ATOM 1949 CA VAL A 120 -9.262 6.848 -19.151 1.00 0.00 C ATOM 1950 C VAL A 120 -7.888 6.209 -19.336 1.00 0.00 C ATOM 1951 O VAL A 120 -6.906 6.681 -18.771 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.648 7.669 -20.406 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -9.874 6.768 -21.614 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.886 8.508 -20.131 1.00 0.00 C ATOM 0 H VAL A 120 -8.697 8.547 -18.080 1.00 0.00 H new ATOM 0 HA VAL A 120 -10.025 6.080 -19.025 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.816 8.334 -20.638 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.143 7.377 -22.477 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -8.960 6.215 -21.831 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -10.680 6.067 -21.399 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -11.144 9.079 -21.023 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -11.717 7.854 -19.866 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.686 9.193 -19.307 1.00 0.00 H new ATOM 1964 N SER A 121 -7.811 5.153 -20.117 1.00 0.00 N ATOM 1965 CA SER A 121 -6.590 4.378 -20.213 1.00 0.00 C ATOM 1966 C SER A 121 -5.657 4.952 -21.270 1.00 0.00 C ATOM 1967 O SER A 121 -6.063 5.782 -22.085 1.00 0.00 O ATOM 1968 CB SER A 121 -6.935 2.930 -20.555 1.00 0.00 C ATOM 1969 OG SER A 121 -5.797 2.100 -20.469 1.00 0.00 O ATOM 0 H SER A 121 -8.578 4.810 -20.695 1.00 0.00 H new ATOM 0 HA SER A 121 -6.077 4.419 -19.252 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.705 2.567 -19.875 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.349 2.880 -21.562 1.00 0.00 H new ATOM 0 HG SER A 121 -6.079 1.165 -20.389 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.395 4.513 -21.240 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.464 4.791 -22.324 1.00 0.00 C ATOM 1977 C ALA A 122 -4.054 4.267 -23.625 1.00 0.00 C ATOM 1978 O ALA A 122 -3.807 4.804 -24.705 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.110 4.157 -22.047 1.00 0.00 C ATOM 0 H ALA A 122 -4.000 3.965 -20.476 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.309 5.867 -22.405 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.430 4.377 -22.870 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.702 4.561 -21.121 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.226 3.077 -21.952 1.00 0.00 H new