USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=15 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 34 HIS : no HD1:sc= 0.994 K(o=2.2,f=-3.5!) USER MOD Set 1.2: A 121 SER OG : rot -66:sc= 1.25 USER MOD Set 2.1: A 24 GLN : amide:sc= -0.261 K(o=0.56,f=-0.92) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.825 K(o=0.56,f=-0.92!) USER MOD Set 3.1: A 37 SER OG : rot 6:sc= -0.61 USER MOD Set 3.2: A 39 HIS :FLIP no HE2:sc= -1.35 F(o=-2.7,f=-2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -1.39 F(o=-1.9!,f=-1.4) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0207 F(o=-1.3!,f=-0.021) USER MOD Single : A 62 TYR OH : rot -141:sc= 1.23 USER MOD Single : A 71 MET CE :methyl 163:sc= -0.137 (180deg=-0.578) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -158:sc= -0.185 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.902 F(o=-2.9!,f=-0.9) USER MOD Single : A 89 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= -1.11 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS :FLIP no HE2:sc= -0.541 F(o=-1.2,f=-0.54) USER MOD Single : A 105 ASN :FLIP amide:sc= 0.687 F(o=-0.022,f=0.69) USER MOD ----------------------------------------------------------------- ATOM 237 N ILE A 14 -0.149 7.989 -17.611 1.00 0.00 N ATOM 238 CA ILE A 14 1.058 7.729 -16.839 1.00 0.00 C ATOM 239 C ILE A 14 1.131 6.260 -16.458 1.00 0.00 C ATOM 240 O ILE A 14 0.592 5.832 -15.437 1.00 0.00 O ATOM 241 CB ILE A 14 1.177 8.615 -15.576 1.00 0.00 C ATOM 242 CG1 ILE A 14 -0.162 8.720 -14.834 1.00 0.00 C ATOM 243 CG2 ILE A 14 1.700 9.994 -15.945 1.00 0.00 C ATOM 244 CD1 ILE A 14 -0.090 9.558 -13.572 1.00 0.00 C ATOM 0 HA ILE A 14 1.900 7.987 -17.481 1.00 0.00 H new ATOM 0 HB ILE A 14 1.889 8.141 -14.900 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.907 9.150 -15.504 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.505 7.718 -14.576 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.778 10.606 -15.046 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.683 9.899 -16.406 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.014 10.467 -16.648 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.072 9.589 -13.099 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.631 9.117 -12.883 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.223 10.571 -13.825 1.00 0.00 H new ATOM 256 N ALA A 15 1.788 5.488 -17.305 1.00 0.00 N ATOM 257 CA ALA A 15 1.881 4.057 -17.115 1.00 0.00 C ATOM 258 C ALA A 15 3.327 3.596 -17.178 1.00 0.00 C ATOM 259 O ALA A 15 3.824 3.196 -18.231 1.00 0.00 O ATOM 260 CB ALA A 15 1.036 3.327 -18.150 1.00 0.00 C ATOM 0 H ALA A 15 2.267 5.834 -18.136 1.00 0.00 H new ATOM 0 HA ALA A 15 1.495 3.817 -16.124 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.117 2.251 -17.993 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.006 3.631 -18.049 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.391 3.575 -19.150 1.00 0.00 H new ATOM 266 N PHE A 16 4.012 3.693 -16.051 1.00 0.00 N ATOM 267 CA PHE A 16 5.374 3.202 -15.949 1.00 0.00 C ATOM 268 C PHE A 16 5.362 1.687 -15.822 1.00 0.00 C ATOM 269 O PHE A 16 4.473 1.121 -15.183 1.00 0.00 O ATOM 270 CB PHE A 16 6.104 3.851 -14.764 1.00 0.00 C ATOM 271 CG PHE A 16 5.287 3.938 -13.503 1.00 0.00 C ATOM 272 CD1 PHE A 16 5.303 2.910 -12.572 1.00 0.00 C ATOM 273 CD2 PHE A 16 4.507 5.056 -13.247 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.556 2.997 -11.413 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.759 5.147 -12.091 1.00 0.00 C ATOM 276 CZ PHE A 16 3.782 4.117 -11.171 1.00 0.00 C ATOM 0 H PHE A 16 3.646 4.108 -15.194 1.00 0.00 H new ATOM 0 HA PHE A 16 5.917 3.474 -16.854 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.011 3.283 -14.556 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.415 4.855 -15.051 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.906 2.033 -12.755 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.485 5.866 -13.961 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.577 2.190 -10.696 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.156 6.023 -11.906 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.197 4.186 -10.266 1.00 0.00 H new ATOM 286 N ASP A 17 6.331 1.036 -16.450 1.00 0.00 N ATOM 287 CA ASP A 17 6.381 -0.421 -16.466 1.00 0.00 C ATOM 288 C ASP A 17 6.718 -0.983 -15.096 1.00 0.00 C ATOM 289 O ASP A 17 7.885 -1.145 -14.733 1.00 0.00 O ATOM 290 CB ASP A 17 7.378 -0.931 -17.509 1.00 0.00 C ATOM 291 CG ASP A 17 6.809 -0.920 -18.912 1.00 0.00 C ATOM 292 OD1 ASP A 17 6.285 -1.965 -19.353 1.00 0.00 O ATOM 293 OD2 ASP A 17 6.890 0.129 -19.588 1.00 0.00 O ATOM 0 H ASP A 17 7.092 1.491 -16.954 1.00 0.00 H new ATOM 0 HA ASP A 17 5.386 -0.772 -16.741 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.276 -0.314 -17.480 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.680 -1.946 -17.251 1.00 0.00 H new ATOM 298 N ALA A 18 5.678 -1.236 -14.327 1.00 0.00 N ATOM 299 CA ALA A 18 5.801 -1.888 -13.044 1.00 0.00 C ATOM 300 C ALA A 18 4.777 -2.999 -12.964 1.00 0.00 C ATOM 301 O ALA A 18 3.576 -2.738 -13.025 1.00 0.00 O ATOM 302 CB ALA A 18 5.597 -0.893 -11.912 1.00 0.00 C ATOM 0 H ALA A 18 4.720 -0.993 -14.578 1.00 0.00 H new ATOM 0 HA ALA A 18 6.804 -2.303 -12.942 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.694 -1.406 -10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.348 -0.106 -11.980 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.603 -0.453 -11.989 1.00 0.00 H new ATOM 308 N ASP A 19 5.250 -4.234 -12.868 1.00 0.00 N ATOM 309 CA ASP A 19 4.356 -5.385 -12.813 1.00 0.00 C ATOM 310 C ASP A 19 3.394 -5.234 -11.648 1.00 0.00 C ATOM 311 O ASP A 19 3.811 -5.092 -10.499 1.00 0.00 O ATOM 312 CB ASP A 19 5.141 -6.696 -12.677 1.00 0.00 C ATOM 313 CG ASP A 19 6.101 -6.925 -13.829 1.00 0.00 C ATOM 314 OD1 ASP A 19 5.669 -6.877 -14.997 1.00 0.00 O ATOM 315 OD2 ASP A 19 7.301 -7.154 -13.568 1.00 0.00 O ATOM 0 H ASP A 19 6.243 -4.465 -12.827 1.00 0.00 H new ATOM 0 HA ASP A 19 3.795 -5.424 -13.747 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.699 -6.685 -11.741 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.441 -7.530 -12.621 1.00 0.00 H new ATOM 320 N SER A 20 2.110 -5.224 -11.956 1.00 0.00 N ATOM 321 CA SER A 20 1.091 -5.037 -10.944 1.00 0.00 C ATOM 322 C SER A 20 0.366 -6.346 -10.681 1.00 0.00 C ATOM 323 O SER A 20 -0.366 -6.842 -11.537 1.00 0.00 O ATOM 324 CB SER A 20 0.098 -3.957 -11.392 1.00 0.00 C ATOM 325 OG SER A 20 -0.814 -3.631 -10.356 1.00 0.00 O ATOM 0 H SER A 20 1.749 -5.344 -12.902 1.00 0.00 H new ATOM 0 HA SER A 20 1.567 -4.713 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.643 -3.063 -11.694 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.452 -4.306 -12.266 1.00 0.00 H new ATOM 0 HG SER A 20 -1.433 -2.939 -10.671 1.00 0.00 H new ATOM 331 N GLU A 21 0.589 -6.920 -9.515 1.00 0.00 N ATOM 332 CA GLU A 21 -0.134 -8.115 -9.126 1.00 0.00 C ATOM 333 C GLU A 21 -1.317 -7.738 -8.252 1.00 0.00 C ATOM 334 O GLU A 21 -1.151 -7.117 -7.201 1.00 0.00 O ATOM 335 CB GLU A 21 0.762 -9.104 -8.380 1.00 0.00 C ATOM 336 CG GLU A 21 1.965 -9.581 -9.176 1.00 0.00 C ATOM 337 CD GLU A 21 2.710 -10.704 -8.479 1.00 0.00 C ATOM 338 OE1 GLU A 21 2.724 -11.837 -9.010 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.271 -10.465 -7.389 1.00 0.00 O ATOM 0 H GLU A 21 1.260 -6.582 -8.825 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.484 -8.602 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.112 -8.636 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.166 -9.970 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.636 -9.921 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.644 -8.744 -9.340 1.00 0.00 H new ATOM 346 N ILE A 22 -2.504 -8.087 -8.706 1.00 0.00 N ATOM 347 CA ILE A 22 -3.712 -7.869 -7.940 1.00 0.00 C ATOM 348 C ILE A 22 -4.077 -9.138 -7.196 1.00 0.00 C ATOM 349 O ILE A 22 -4.388 -10.166 -7.802 1.00 0.00 O ATOM 350 CB ILE A 22 -4.889 -7.418 -8.827 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.560 -6.082 -9.502 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.170 -7.301 -8.006 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.661 -5.561 -10.400 1.00 0.00 C ATOM 0 H ILE A 22 -2.657 -8.528 -9.613 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.516 -7.065 -7.230 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.048 -8.170 -9.599 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.350 -5.339 -8.732 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.649 -6.198 -10.090 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.988 -6.981 -8.652 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.411 -8.269 -7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.027 -6.568 -7.212 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.353 -4.613 -10.841 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.856 -6.283 -11.193 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.568 -5.411 -9.814 1.00 0.00 H new ATOM 365 N LEU A 23 -4.000 -9.067 -5.886 1.00 0.00 N ATOM 366 CA LEU A 23 -4.259 -10.206 -5.039 1.00 0.00 C ATOM 367 C LEU A 23 -5.669 -10.149 -4.480 1.00 0.00 C ATOM 368 O LEU A 23 -6.149 -9.089 -4.076 1.00 0.00 O ATOM 369 CB LEU A 23 -3.267 -10.243 -3.875 1.00 0.00 C ATOM 370 CG LEU A 23 -1.789 -10.188 -4.262 1.00 0.00 C ATOM 371 CD1 LEU A 23 -0.921 -10.214 -3.015 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.432 -11.340 -5.187 1.00 0.00 C ATOM 0 H LEU A 23 -3.756 -8.216 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.146 -11.104 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.482 -9.405 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.440 -11.154 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.604 -9.256 -4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.130 -10.174 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.159 -9.354 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.111 -11.132 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.376 -11.282 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.629 -12.286 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.035 -11.280 -6.093 1.00 0.00 H new ATOM 384 N GLN A 24 -6.327 -11.290 -4.474 1.00 0.00 N ATOM 385 CA GLN A 24 -7.594 -11.437 -3.785 1.00 0.00 C ATOM 386 C GLN A 24 -7.360 -12.322 -2.570 1.00 0.00 C ATOM 387 O GLN A 24 -8.185 -13.161 -2.214 1.00 0.00 O ATOM 388 CB GLN A 24 -8.638 -12.064 -4.708 1.00 0.00 C ATOM 389 CG GLN A 24 -10.063 -11.930 -4.194 1.00 0.00 C ATOM 390 CD GLN A 24 -11.030 -12.820 -4.937 1.00 0.00 C ATOM 391 OE1 GLN A 24 -11.610 -12.426 -5.946 1.00 0.00 O ATOM 392 NE2 GLN A 24 -11.228 -14.024 -4.426 1.00 0.00 N ATOM 0 H GLN A 24 -6.002 -12.136 -4.942 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.971 -10.462 -3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.570 -11.597 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.406 -13.121 -4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.088 -12.177 -3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.384 -10.892 -4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.725 -14.311 -3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.884 -14.666 -4.872 1.00 0.00 H new ATOM 401 N GLY A 25 -6.202 -12.135 -1.951 1.00 0.00 N ATOM 402 CA GLY A 25 -5.790 -12.993 -0.863 1.00 0.00 C ATOM 403 C GLY A 25 -5.169 -14.276 -1.377 1.00 0.00 C ATOM 404 O GLY A 25 -3.988 -14.543 -1.148 1.00 0.00 O ATOM 0 H GLY A 25 -5.538 -11.398 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.073 -12.466 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.651 -13.229 -0.237 1.00 0.00 H new ATOM 408 N GLU A 26 -5.966 -15.056 -2.091 1.00 0.00 N ATOM 409 CA GLU A 26 -5.510 -16.322 -2.646 1.00 0.00 C ATOM 410 C GLU A 26 -5.172 -16.194 -4.132 1.00 0.00 C ATOM 411 O GLU A 26 -4.208 -16.792 -4.610 1.00 0.00 O ATOM 412 CB GLU A 26 -6.584 -17.394 -2.446 1.00 0.00 C ATOM 413 CG GLU A 26 -7.915 -17.047 -3.093 1.00 0.00 C ATOM 414 CD GLU A 26 -8.969 -18.101 -2.858 1.00 0.00 C ATOM 415 OE1 GLU A 26 -8.971 -19.116 -3.585 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.800 -17.921 -1.946 1.00 0.00 O ATOM 0 H GLU A 26 -6.939 -14.833 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.601 -16.612 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.225 -18.338 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.738 -17.548 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.267 -16.093 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.770 -16.917 -4.165 1.00 0.00 H new ATOM 423 N ARG A 27 -5.957 -15.406 -4.858 1.00 0.00 N ATOM 424 CA ARG A 27 -5.796 -15.301 -6.304 1.00 0.00 C ATOM 425 C ARG A 27 -4.788 -14.219 -6.664 1.00 0.00 C ATOM 426 O ARG A 27 -4.765 -13.153 -6.048 1.00 0.00 O ATOM 427 CB ARG A 27 -7.142 -15.023 -6.979 1.00 0.00 C ATOM 428 CG ARG A 27 -8.192 -16.080 -6.682 1.00 0.00 C ATOM 429 CD ARG A 27 -9.480 -15.843 -7.452 1.00 0.00 C ATOM 430 NE ARG A 27 -9.335 -16.104 -8.885 1.00 0.00 N ATOM 431 CZ ARG A 27 -9.874 -17.159 -9.500 1.00 0.00 C ATOM 432 NH1 ARG A 27 -10.500 -18.094 -8.792 1.00 0.00 N ATOM 433 NH2 ARG A 27 -9.771 -17.294 -10.816 1.00 0.00 N ATOM 0 H ARG A 27 -6.708 -14.833 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.416 -16.255 -6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.511 -14.051 -6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.994 -14.960 -8.057 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.796 -17.064 -6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.406 -16.087 -5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.264 -16.483 -7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.803 -14.812 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.793 -15.444 -9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.569 -18.005 -7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.912 -18.900 -9.263 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.278 -16.589 -11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.185 -18.103 -11.280 1.00 0.00 H new ATOM 447 N ARG A 28 -3.957 -14.509 -7.655 1.00 0.00 N ATOM 448 CA ARG A 28 -2.903 -13.595 -8.080 1.00 0.00 C ATOM 449 C ARG A 28 -3.066 -13.235 -9.551 1.00 0.00 C ATOM 450 O ARG A 28 -2.878 -14.080 -10.429 1.00 0.00 O ATOM 451 CB ARG A 28 -1.528 -14.238 -7.868 1.00 0.00 C ATOM 452 CG ARG A 28 -1.254 -14.649 -6.432 1.00 0.00 C ATOM 453 CD ARG A 28 0.105 -15.316 -6.302 1.00 0.00 C ATOM 454 NE ARG A 28 0.414 -15.671 -4.919 1.00 0.00 N ATOM 455 CZ ARG A 28 1.571 -16.201 -4.526 1.00 0.00 C ATOM 456 NH1 ARG A 28 2.506 -16.502 -5.419 1.00 0.00 N ATOM 457 NH2 ARG A 28 1.781 -16.442 -3.240 1.00 0.00 N ATOM 0 H ARG A 28 -3.993 -15.379 -8.186 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.978 -12.688 -7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.446 -15.116 -8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.757 -13.537 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.295 -13.772 -5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.032 -15.333 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.128 -16.214 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.875 -14.646 -6.684 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.300 -15.503 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.340 -16.328 -6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.391 -16.908 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.058 -16.222 -2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.666 -16.848 -2.935 1.00 0.00 H new ATOM 471 N TRP A 29 -3.414 -11.986 -9.820 1.00 0.00 N ATOM 472 CA TRP A 29 -3.587 -11.522 -11.192 1.00 0.00 C ATOM 473 C TRP A 29 -2.494 -10.536 -11.585 1.00 0.00 C ATOM 474 O TRP A 29 -2.527 -9.378 -11.179 1.00 0.00 O ATOM 475 CB TRP A 29 -4.946 -10.844 -11.371 1.00 0.00 C ATOM 476 CG TRP A 29 -6.116 -11.758 -11.191 1.00 0.00 C ATOM 477 CD1 TRP A 29 -6.473 -12.796 -11.999 1.00 0.00 C ATOM 478 CD2 TRP A 29 -7.095 -11.702 -10.147 1.00 0.00 C ATOM 479 NE1 TRP A 29 -7.611 -13.394 -11.520 1.00 0.00 N ATOM 480 CE2 TRP A 29 -8.015 -12.738 -10.386 1.00 0.00 C ATOM 481 CE3 TRP A 29 -7.281 -10.877 -9.035 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -9.106 -12.970 -9.554 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -8.364 -11.109 -8.208 1.00 0.00 C ATOM 484 CH2 TRP A 29 -9.264 -12.147 -8.472 1.00 0.00 C ATOM 0 H TRP A 29 -3.583 -11.275 -9.109 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.527 -12.400 -11.835 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.027 -10.024 -10.658 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.992 -10.405 -12.368 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.939 -13.103 -12.886 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.080 -14.197 -11.940 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.591 -10.073 -8.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.803 -13.770 -9.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.518 -10.479 -7.344 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -10.101 -12.302 -7.808 1.00 0.00 H new ATOM 495 N GLU A 30 -1.524 -10.989 -12.366 1.00 0.00 N ATOM 496 CA GLU A 30 -0.503 -10.092 -12.890 1.00 0.00 C ATOM 497 C GLU A 30 -1.066 -9.326 -14.082 1.00 0.00 C ATOM 498 O GLU A 30 -1.292 -9.894 -15.154 1.00 0.00 O ATOM 499 CB GLU A 30 0.756 -10.861 -13.291 1.00 0.00 C ATOM 500 CG GLU A 30 1.896 -9.960 -13.742 1.00 0.00 C ATOM 501 CD GLU A 30 3.153 -10.732 -14.072 1.00 0.00 C ATOM 502 OE1 GLU A 30 3.340 -11.103 -15.253 1.00 0.00 O ATOM 503 OE2 GLU A 30 3.963 -10.972 -13.157 1.00 0.00 O ATOM 0 H GLU A 30 -1.422 -11.964 -12.649 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.221 -9.387 -12.108 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.090 -11.462 -12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.509 -11.553 -14.096 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.581 -9.394 -14.619 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.114 -9.236 -12.957 1.00 0.00 H new ATOM 510 N VAL A 31 -1.301 -8.040 -13.880 1.00 0.00 N ATOM 511 CA VAL A 31 -1.980 -7.218 -14.866 1.00 0.00 C ATOM 512 C VAL A 31 -1.124 -6.014 -15.265 1.00 0.00 C ATOM 513 O VAL A 31 -0.202 -5.624 -14.543 1.00 0.00 O ATOM 514 CB VAL A 31 -3.344 -6.740 -14.311 1.00 0.00 C ATOM 515 CG1 VAL A 31 -3.153 -5.816 -13.117 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.175 -6.066 -15.390 1.00 0.00 C ATOM 0 H VAL A 31 -1.028 -7.540 -13.034 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.147 -7.825 -15.756 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.890 -7.621 -13.974 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.126 -5.495 -12.746 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.621 -6.347 -12.327 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.574 -4.944 -13.421 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.126 -5.742 -14.968 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.636 -5.201 -15.777 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.359 -6.771 -16.201 1.00 0.00 H new ATOM 526 N LEU A 32 -1.423 -5.442 -16.426 1.00 0.00 N ATOM 527 CA LEU A 32 -0.727 -4.255 -16.904 1.00 0.00 C ATOM 528 C LEU A 32 -1.402 -2.987 -16.387 1.00 0.00 C ATOM 529 O LEU A 32 -2.633 -2.906 -16.317 1.00 0.00 O ATOM 530 CB LEU A 32 -0.680 -4.223 -18.438 1.00 0.00 C ATOM 531 CG LEU A 32 0.364 -5.134 -19.097 1.00 0.00 C ATOM 532 CD1 LEU A 32 0.082 -6.598 -18.805 1.00 0.00 C ATOM 533 CD2 LEU A 32 0.398 -4.889 -20.596 1.00 0.00 C ATOM 0 H LEU A 32 -2.148 -5.785 -17.057 1.00 0.00 H new ATOM 0 HA LEU A 32 0.293 -4.297 -16.523 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.664 -4.497 -18.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.490 -3.197 -18.755 1.00 0.00 H new ATOM 0 HG LEU A 32 1.340 -4.893 -18.675 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.839 -7.217 -19.286 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.106 -6.765 -17.728 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.902 -6.863 -19.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.142 -5.540 -21.054 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.582 -5.102 -21.022 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.659 -3.848 -20.789 1.00 0.00 H new ATOM 545 N LEU A 33 -0.588 -2.004 -16.033 1.00 0.00 N ATOM 546 CA LEU A 33 -1.079 -0.731 -15.522 1.00 0.00 C ATOM 547 C LEU A 33 -1.445 0.185 -16.689 1.00 0.00 C ATOM 548 O LEU A 33 -0.674 0.330 -17.635 1.00 0.00 O ATOM 549 CB LEU A 33 0.003 -0.094 -14.629 1.00 0.00 C ATOM 550 CG LEU A 33 -0.410 1.144 -13.817 1.00 0.00 C ATOM 551 CD1 LEU A 33 0.517 1.313 -12.625 1.00 0.00 C ATOM 552 CD2 LEU A 33 -0.371 2.403 -14.671 1.00 0.00 C ATOM 0 H LEU A 33 0.429 -2.065 -16.091 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.976 -0.887 -14.922 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.360 -0.853 -13.933 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.847 0.181 -15.261 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.433 0.993 -13.472 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.219 2.192 -12.054 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.457 0.430 -11.989 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.541 1.439 -12.976 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.668 3.261 -14.068 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.641 2.557 -15.047 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.057 2.294 -15.511 1.00 0.00 H new ATOM 564 N HIS A 34 -2.630 0.783 -16.634 1.00 0.00 N ATOM 565 CA HIS A 34 -3.074 1.685 -17.693 1.00 0.00 C ATOM 566 C HIS A 34 -2.959 3.136 -17.250 1.00 0.00 C ATOM 567 O HIS A 34 -2.509 3.991 -18.009 1.00 0.00 O ATOM 568 CB HIS A 34 -4.511 1.367 -18.121 1.00 0.00 C ATOM 569 CG HIS A 34 -4.617 0.143 -18.981 1.00 0.00 C ATOM 570 ND1 HIS A 34 -5.396 0.085 -20.119 1.00 0.00 N ATOM 571 CD2 HIS A 34 -4.019 -1.067 -18.878 1.00 0.00 C ATOM 572 CE1 HIS A 34 -5.271 -1.107 -20.673 1.00 0.00 C ATOM 573 NE2 HIS A 34 -4.443 -1.823 -19.940 1.00 0.00 N ATOM 0 H HIS A 34 -3.298 0.661 -15.873 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.422 1.535 -18.554 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.126 1.232 -17.231 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.918 2.220 -18.664 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.335 -1.379 -18.103 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.764 -1.439 -21.575 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.163 -2.785 -20.132 1.00 0.00 H new ATOM 582 N ASP A 35 -3.371 3.405 -16.018 1.00 0.00 N ATOM 583 CA ASP A 35 -3.220 4.731 -15.429 1.00 0.00 C ATOM 584 C ASP A 35 -3.311 4.611 -13.912 1.00 0.00 C ATOM 585 O ASP A 35 -4.156 3.872 -13.398 1.00 0.00 O ATOM 586 CB ASP A 35 -4.297 5.687 -15.953 1.00 0.00 C ATOM 587 CG ASP A 35 -3.904 7.149 -15.812 1.00 0.00 C ATOM 588 OD1 ASP A 35 -4.233 7.951 -16.714 1.00 0.00 O ATOM 589 OD2 ASP A 35 -3.260 7.509 -14.811 1.00 0.00 O ATOM 0 H ASP A 35 -3.814 2.721 -15.405 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.249 5.139 -15.709 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.492 5.467 -17.003 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.227 5.511 -15.412 1.00 0.00 H new ATOM 594 N VAL A 36 -2.441 5.312 -13.202 1.00 0.00 N ATOM 595 CA VAL A 36 -2.372 5.205 -11.751 1.00 0.00 C ATOM 596 C VAL A 36 -2.417 6.594 -11.114 1.00 0.00 C ATOM 597 O VAL A 36 -1.965 7.574 -11.707 1.00 0.00 O ATOM 598 CB VAL A 36 -1.092 4.453 -11.308 1.00 0.00 C ATOM 599 CG1 VAL A 36 0.160 5.227 -11.698 1.00 0.00 C ATOM 600 CG2 VAL A 36 -1.108 4.168 -9.813 1.00 0.00 C ATOM 0 H VAL A 36 -1.770 5.964 -13.608 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.236 4.633 -11.413 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.075 3.496 -11.830 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.044 4.676 -11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.187 5.354 -12.780 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.147 6.206 -11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.197 3.640 -9.534 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.165 5.108 -9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.974 3.552 -9.569 1.00 0.00 H new ATOM 610 N SER A 37 -2.974 6.684 -9.911 1.00 0.00 N ATOM 611 CA SER A 37 -3.118 7.961 -9.236 1.00 0.00 C ATOM 612 C SER A 37 -3.434 7.769 -7.755 1.00 0.00 C ATOM 613 O SER A 37 -3.336 6.660 -7.233 1.00 0.00 O ATOM 614 CB SER A 37 -4.225 8.759 -9.910 1.00 0.00 C ATOM 615 OG SER A 37 -5.403 7.979 -10.009 1.00 0.00 O ATOM 0 H SER A 37 -3.332 5.886 -9.386 1.00 0.00 H new ATOM 0 HA SER A 37 -2.176 8.504 -9.306 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.428 9.666 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.904 9.072 -10.903 1.00 0.00 H new ATOM 0 HG SER A 37 -5.275 7.132 -9.534 1.00 0.00 H new ATOM 621 N LEU A 38 -3.829 8.852 -7.091 1.00 0.00 N ATOM 622 CA LEU A 38 -4.108 8.819 -5.661 1.00 0.00 C ATOM 623 C LEU A 38 -5.571 8.477 -5.391 1.00 0.00 C ATOM 624 O LEU A 38 -5.938 8.119 -4.276 1.00 0.00 O ATOM 625 CB LEU A 38 -3.761 10.168 -5.026 1.00 0.00 C ATOM 626 CG LEU A 38 -2.318 10.633 -5.240 1.00 0.00 C ATOM 627 CD1 LEU A 38 -2.107 12.006 -4.622 1.00 0.00 C ATOM 628 CD2 LEU A 38 -1.336 9.628 -4.653 1.00 0.00 C ATOM 0 H LEU A 38 -3.963 9.766 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.489 8.040 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.434 10.925 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.952 10.108 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.135 10.703 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.076 12.323 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.784 12.723 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.310 11.958 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.317 9.978 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.517 9.524 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.470 8.662 -5.139 1.00 0.00 H new ATOM 640 N HIS A 39 -6.402 8.582 -6.424 1.00 0.00 N ATOM 641 CA HIS A 39 -7.834 8.286 -6.297 1.00 0.00 C ATOM 642 C HIS A 39 -8.145 6.874 -6.780 1.00 0.00 C ATOM 643 O HIS A 39 -9.304 6.478 -6.855 1.00 0.00 O ATOM 644 CB HIS A 39 -8.690 9.293 -7.088 1.00 0.00 C ATOM 645 CG HIS A 39 -8.228 9.508 -8.489 1.00 0.00 C ATOM 646 ND1 HIS A 39 -7.270 10.322 -8.985 1.00 0.00 N flip ATOM 647 CD2 HIS A 39 -8.751 8.832 -9.562 1.00 0.00 C flip ATOM 648 CE1 HIS A 39 -7.225 10.117 -10.342 1.00 0.00 C flip ATOM 649 NE2 HIS A 39 -8.131 9.213 -10.660 1.00 0.00 N flip ATOM 0 H HIS A 39 -6.113 8.869 -7.359 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.083 8.368 -5.239 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.722 8.943 -7.106 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.687 10.249 -6.564 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.689 10.968 -8.451 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.546 8.102 -9.514 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.559 10.613 -11.033 1.00 0.00 H new ATOM 658 N GLY A 40 -7.109 6.120 -7.107 1.00 0.00 N ATOM 659 CA GLY A 40 -7.312 4.777 -7.607 1.00 0.00 C ATOM 660 C GLY A 40 -6.427 4.457 -8.791 1.00 0.00 C ATOM 661 O GLY A 40 -5.419 5.132 -9.024 1.00 0.00 O ATOM 0 H GLY A 40 -6.134 6.412 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.116 4.062 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.356 4.654 -7.895 1.00 0.00 H new ATOM 665 N ILE A 41 -6.818 3.447 -9.554 1.00 0.00 N ATOM 666 CA ILE A 41 -5.999 2.949 -10.652 1.00 0.00 C ATOM 667 C ILE A 41 -6.860 2.174 -11.651 1.00 0.00 C ATOM 668 O ILE A 41 -7.877 1.581 -11.278 1.00 0.00 O ATOM 669 CB ILE A 41 -4.860 2.038 -10.116 1.00 0.00 C ATOM 670 CG1 ILE A 41 -3.970 1.534 -11.258 1.00 0.00 C ATOM 671 CG2 ILE A 41 -5.437 0.867 -9.329 1.00 0.00 C ATOM 672 CD1 ILE A 41 -2.814 0.666 -10.800 1.00 0.00 C ATOM 0 H ILE A 41 -7.702 2.953 -9.433 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.553 3.805 -11.159 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.240 2.634 -9.446 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.582 0.966 -11.959 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.574 2.391 -11.802 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.625 0.240 -8.962 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.014 1.245 -8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.086 0.277 -9.977 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.232 0.349 -11.665 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.177 1.236 -10.123 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.201 -0.212 -10.282 1.00 0.00 H new ATOM 684 N LEU A 42 -6.465 2.203 -12.919 1.00 0.00 N ATOM 685 CA LEU A 42 -7.152 1.439 -13.948 1.00 0.00 C ATOM 686 C LEU A 42 -6.218 0.390 -14.539 1.00 0.00 C ATOM 687 O LEU A 42 -5.089 0.699 -14.938 1.00 0.00 O ATOM 688 CB LEU A 42 -7.661 2.352 -15.064 1.00 0.00 C ATOM 689 CG LEU A 42 -8.404 1.627 -16.188 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.751 1.119 -15.701 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.579 2.533 -17.392 1.00 0.00 C ATOM 0 H LEU A 42 -5.672 2.748 -13.257 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.006 0.946 -13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.325 3.100 -14.630 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.814 2.888 -15.492 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.804 0.770 -16.492 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.263 0.607 -16.516 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.601 0.425 -14.874 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.357 1.960 -15.364 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.110 1.995 -18.178 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.152 3.414 -17.104 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.601 2.841 -17.761 1.00 0.00 H new ATOM 703 N VAL A 43 -6.688 -0.846 -14.596 1.00 0.00 N ATOM 704 CA VAL A 43 -5.915 -1.932 -15.179 1.00 0.00 C ATOM 705 C VAL A 43 -6.737 -2.652 -16.240 1.00 0.00 C ATOM 706 O VAL A 43 -7.936 -2.405 -16.376 1.00 0.00 O ATOM 707 CB VAL A 43 -5.452 -2.949 -14.115 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.518 -2.290 -13.109 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.648 -3.576 -13.414 1.00 0.00 C ATOM 0 H VAL A 43 -7.604 -1.123 -14.244 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.028 -1.489 -15.632 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.900 -3.742 -14.619 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.204 -3.025 -12.368 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.642 -1.900 -13.627 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.039 -1.472 -12.611 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.299 -4.290 -12.668 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.233 -2.797 -12.925 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.270 -4.091 -14.146 1.00 0.00 H new ATOM 719 N GLY A 44 -6.095 -3.536 -16.986 1.00 0.00 N ATOM 720 CA GLY A 44 -6.790 -4.268 -18.026 1.00 0.00 C ATOM 721 C GLY A 44 -6.497 -5.752 -17.967 1.00 0.00 C ATOM 722 O GLY A 44 -5.446 -6.199 -18.431 1.00 0.00 O ATOM 0 H GLY A 44 -5.105 -3.761 -16.891 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.863 -4.106 -17.928 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.497 -3.879 -19.001 1.00 0.00 H new ATOM 726 N GLN A 45 -7.420 -6.512 -17.392 1.00 0.00 N ATOM 727 CA GLN A 45 -7.249 -7.954 -17.261 1.00 0.00 C ATOM 728 C GLN A 45 -7.941 -8.680 -18.408 1.00 0.00 C ATOM 729 O GLN A 45 -8.956 -8.212 -18.924 1.00 0.00 O ATOM 730 CB GLN A 45 -7.785 -8.453 -15.916 1.00 0.00 C ATOM 731 CG GLN A 45 -6.927 -8.038 -14.734 1.00 0.00 C ATOM 732 CD GLN A 45 -7.334 -8.727 -13.449 1.00 0.00 C ATOM 733 OE1 GLN A 45 -7.108 -8.068 -12.322 1.00 0.00 O flip ATOM 734 NE2 GLN A 45 -7.836 -9.844 -13.466 1.00 0.00 N flip ATOM 0 H GLN A 45 -8.295 -6.154 -17.009 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.181 -8.170 -17.302 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.796 -8.073 -15.773 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.854 -9.541 -15.942 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.883 -8.266 -14.950 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.996 -6.958 -14.601 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.994 -10.319 -14.355 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.096 -10.300 -12.591 1.00 0.00 H new ATOM 743 N PRO A 46 -7.380 -9.822 -18.829 1.00 0.00 N ATOM 744 CA PRO A 46 -7.900 -10.600 -19.959 1.00 0.00 C ATOM 745 C PRO A 46 -9.317 -11.142 -19.736 1.00 0.00 C ATOM 746 O PRO A 46 -10.281 -10.603 -20.285 1.00 0.00 O ATOM 747 CB PRO A 46 -6.900 -11.753 -20.108 1.00 0.00 C ATOM 748 CG PRO A 46 -5.684 -11.320 -19.358 1.00 0.00 C ATOM 749 CD PRO A 46 -6.171 -10.429 -18.253 1.00 0.00 C ATOM 0 HA PRO A 46 -7.990 -9.975 -20.848 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.304 -12.679 -19.700 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.669 -11.940 -21.157 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.147 -12.180 -18.957 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.992 -10.788 -20.011 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.394 -10.993 -17.348 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.430 -9.676 -17.985 1.00 0.00 H new ATOM 757 N GLN A 47 -9.449 -12.209 -18.946 1.00 0.00 N ATOM 758 CA GLN A 47 -10.748 -12.863 -18.768 1.00 0.00 C ATOM 759 C GLN A 47 -10.982 -13.313 -17.328 1.00 0.00 C ATOM 760 O GLN A 47 -12.095 -13.201 -16.815 1.00 0.00 O ATOM 761 CB GLN A 47 -10.876 -14.077 -19.694 1.00 0.00 C ATOM 762 CG GLN A 47 -10.821 -13.742 -21.175 1.00 0.00 C ATOM 763 CD GLN A 47 -11.063 -14.953 -22.049 1.00 0.00 C ATOM 764 OE1 GLN A 47 -10.130 -15.671 -22.408 1.00 0.00 O ATOM 765 NE2 GLN A 47 -12.315 -15.190 -22.398 1.00 0.00 N ATOM 0 H GLN A 47 -8.683 -12.635 -18.425 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.503 -12.119 -19.021 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.077 -14.781 -19.463 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.818 -14.583 -19.483 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.567 -12.980 -21.400 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.847 -13.315 -21.412 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.059 -14.570 -22.079 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.537 -15.993 -22.986 1.00 0.00 H new ATOM 774 N ASP A 48 -9.949 -13.849 -16.683 1.00 0.00 N ATOM 775 CA ASP A 48 -10.101 -14.393 -15.333 1.00 0.00 C ATOM 776 C ASP A 48 -10.327 -13.279 -14.323 1.00 0.00 C ATOM 777 O ASP A 48 -9.414 -12.518 -14.010 1.00 0.00 O ATOM 778 CB ASP A 48 -8.884 -15.227 -14.926 1.00 0.00 C ATOM 779 CG ASP A 48 -9.133 -16.012 -13.650 1.00 0.00 C ATOM 780 OD1 ASP A 48 -9.808 -17.061 -13.722 1.00 0.00 O ATOM 781 OD2 ASP A 48 -8.658 -15.591 -12.573 1.00 0.00 O ATOM 0 H ASP A 48 -9.007 -13.919 -17.067 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.975 -15.044 -15.342 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.631 -15.916 -15.732 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.025 -14.571 -14.786 1.00 0.00 H new ATOM 786 N TRP A 49 -11.553 -13.189 -13.829 1.00 0.00 N ATOM 787 CA TRP A 49 -11.936 -12.143 -12.898 1.00 0.00 C ATOM 788 C TRP A 49 -13.288 -12.473 -12.278 1.00 0.00 C ATOM 789 O TRP A 49 -14.193 -12.938 -12.968 1.00 0.00 O ATOM 790 CB TRP A 49 -12.008 -10.795 -13.629 1.00 0.00 C ATOM 791 CG TRP A 49 -12.358 -9.639 -12.745 1.00 0.00 C ATOM 792 CD1 TRP A 49 -13.513 -8.911 -12.764 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.544 -9.076 -11.713 1.00 0.00 C ATOM 794 NE1 TRP A 49 -13.463 -7.925 -11.809 1.00 0.00 N ATOM 795 CE2 TRP A 49 -12.263 -8.006 -11.150 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.275 -9.372 -11.213 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -11.754 -7.234 -10.112 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -9.771 -8.604 -10.182 1.00 0.00 C ATOM 799 CH2 TRP A 49 -10.509 -7.547 -9.641 1.00 0.00 C ATOM 0 H TRP A 49 -12.306 -13.837 -14.062 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.189 -12.077 -12.107 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.046 -10.599 -14.102 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.747 -10.865 -14.427 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.344 -9.085 -13.432 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.198 -7.244 -11.621 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.698 -10.187 -11.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.321 -6.416 -9.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.790 -8.824 -9.787 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.087 -6.966 -8.834 1.00 0.00 H new ATOM 810 N ASN A 50 -13.421 -12.253 -10.979 1.00 0.00 N ATOM 811 CA ASN A 50 -14.691 -12.477 -10.303 1.00 0.00 C ATOM 812 C ASN A 50 -15.617 -11.296 -10.540 1.00 0.00 C ATOM 813 O ASN A 50 -16.493 -11.345 -11.406 1.00 0.00 O ATOM 814 CB ASN A 50 -14.486 -12.703 -8.802 1.00 0.00 C ATOM 815 CG ASN A 50 -13.964 -14.093 -8.485 1.00 0.00 C ATOM 816 OD1 ASN A 50 -14.266 -15.060 -9.182 1.00 0.00 O ATOM 817 ND2 ASN A 50 -13.169 -14.201 -7.433 1.00 0.00 N ATOM 0 H ASN A 50 -12.670 -11.921 -10.374 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.146 -13.377 -10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.786 -11.960 -8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.432 -12.547 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.784 -15.110 -7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.941 -13.375 -6.879 1.00 0.00 H new ATOM 857 N GLN A 54 -17.093 -5.173 -3.712 1.00 0.00 N ATOM 858 CA GLN A 54 -17.120 -5.030 -2.266 1.00 0.00 C ATOM 859 C GLN A 54 -15.995 -5.864 -1.699 1.00 0.00 C ATOM 860 O GLN A 54 -15.905 -6.106 -0.495 1.00 0.00 O ATOM 861 CB GLN A 54 -18.463 -5.503 -1.703 1.00 0.00 C ATOM 862 CG GLN A 54 -19.657 -4.700 -2.196 1.00 0.00 C ATOM 863 CD GLN A 54 -20.980 -5.279 -1.734 1.00 0.00 C ATOM 864 OE1 GLN A 54 -21.044 -6.597 -1.613 1.00 0.00 O flip ATOM 865 NE2 GLN A 54 -21.944 -4.548 -1.509 1.00 0.00 N flip ATOM 0 HA GLN A 54 -16.996 -3.983 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.608 -6.550 -1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.428 -5.452 -0.615 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -19.571 -3.673 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.641 -4.664 -3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.853 -3.537 -1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -22.834 -4.953 -1.218 1.00 0.00 H new ATOM 874 N ARG A 55 -15.136 -6.299 -2.600 1.00 0.00 N ATOM 875 CA ARG A 55 -14.093 -7.227 -2.275 1.00 0.00 C ATOM 876 C ARG A 55 -12.734 -6.546 -2.367 1.00 0.00 C ATOM 877 O ARG A 55 -12.324 -6.122 -3.444 1.00 0.00 O ATOM 878 CB ARG A 55 -14.197 -8.390 -3.246 1.00 0.00 C ATOM 879 CG ARG A 55 -13.342 -9.574 -2.903 1.00 0.00 C ATOM 880 CD ARG A 55 -13.804 -10.775 -3.692 1.00 0.00 C ATOM 881 NE ARG A 55 -14.947 -11.442 -3.068 1.00 0.00 N ATOM 882 CZ ARG A 55 -14.981 -12.742 -2.765 1.00 0.00 C ATOM 883 NH1 ARG A 55 -13.906 -13.499 -2.945 1.00 0.00 N ATOM 884 NH2 ARG A 55 -16.086 -13.280 -2.265 1.00 0.00 N ATOM 0 H ARG A 55 -15.149 -6.012 -3.579 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.199 -7.590 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.237 -8.713 -3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.925 -8.039 -4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.297 -9.358 -3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.403 -9.782 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.075 -10.462 -4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.981 -11.483 -3.788 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.769 -10.879 -2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.049 -13.088 -3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.936 -14.492 -2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.911 -12.700 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.110 -14.273 -2.034 1.00 0.00 H new ATOM 898 N PRO A 56 -12.049 -6.393 -1.223 1.00 0.00 N ATOM 899 CA PRO A 56 -10.720 -5.779 -1.165 1.00 0.00 C ATOM 900 C PRO A 56 -9.726 -6.438 -2.116 1.00 0.00 C ATOM 901 O PRO A 56 -9.357 -7.604 -1.945 1.00 0.00 O ATOM 902 CB PRO A 56 -10.288 -5.989 0.289 1.00 0.00 C ATOM 903 CG PRO A 56 -11.562 -6.121 1.046 1.00 0.00 C ATOM 904 CD PRO A 56 -12.531 -6.789 0.112 1.00 0.00 C ATOM 0 HA PRO A 56 -10.748 -4.732 -1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.671 -6.881 0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.697 -5.148 0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.419 -6.714 1.950 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.932 -5.145 1.360 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.526 -7.872 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.553 -6.453 0.286 1.00 0.00 H new ATOM 912 N PHE A 57 -9.315 -5.686 -3.122 1.00 0.00 N ATOM 913 CA PHE A 57 -8.337 -6.154 -4.087 1.00 0.00 C ATOM 914 C PHE A 57 -7.007 -5.456 -3.823 1.00 0.00 C ATOM 915 O PHE A 57 -6.972 -4.254 -3.601 1.00 0.00 O ATOM 916 CB PHE A 57 -8.834 -5.895 -5.518 1.00 0.00 C ATOM 917 CG PHE A 57 -10.046 -6.716 -5.887 1.00 0.00 C ATOM 918 CD1 PHE A 57 -11.229 -6.119 -6.321 1.00 0.00 C ATOM 919 CD2 PHE A 57 -10.002 -8.099 -5.785 1.00 0.00 C ATOM 920 CE1 PHE A 57 -12.329 -6.890 -6.643 1.00 0.00 C ATOM 921 CE2 PHE A 57 -11.102 -8.870 -6.110 1.00 0.00 C ATOM 922 CZ PHE A 57 -12.265 -8.265 -6.538 1.00 0.00 C ATOM 0 H PHE A 57 -9.649 -4.737 -3.292 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.195 -7.230 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.074 -4.837 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.029 -6.113 -6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.286 -5.044 -6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.096 -8.580 -5.447 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.240 -6.416 -6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.051 -9.946 -6.029 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.125 -8.867 -6.791 1.00 0.00 H new ATOM 932 N GLU A 58 -5.922 -6.205 -3.828 1.00 0.00 N ATOM 933 CA GLU A 58 -4.631 -5.663 -3.416 1.00 0.00 C ATOM 934 C GLU A 58 -3.705 -5.481 -4.609 1.00 0.00 C ATOM 935 O GLU A 58 -3.296 -6.452 -5.231 1.00 0.00 O ATOM 936 CB GLU A 58 -3.982 -6.586 -2.387 1.00 0.00 C ATOM 937 CG GLU A 58 -4.812 -6.755 -1.124 1.00 0.00 C ATOM 938 CD GLU A 58 -4.183 -7.709 -0.133 1.00 0.00 C ATOM 939 OE1 GLU A 58 -3.204 -7.316 0.531 1.00 0.00 O ATOM 940 OE2 GLU A 58 -4.677 -8.851 -0.004 1.00 0.00 O ATOM 0 H GLU A 58 -5.902 -7.185 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.802 -4.684 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.817 -7.564 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.003 -6.189 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.947 -5.783 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.804 -7.119 -1.392 1.00 0.00 H new ATOM 947 N ALA A 59 -3.375 -4.242 -4.921 1.00 0.00 N ATOM 948 CA ALA A 59 -2.500 -3.958 -6.046 1.00 0.00 C ATOM 949 C ALA A 59 -1.065 -3.772 -5.576 1.00 0.00 C ATOM 950 O ALA A 59 -0.784 -2.922 -4.727 1.00 0.00 O ATOM 951 CB ALA A 59 -2.978 -2.727 -6.800 1.00 0.00 C ATOM 0 H ALA A 59 -3.698 -3.418 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.531 -4.810 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.309 -2.531 -7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.988 -2.898 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.980 -1.868 -6.129 1.00 0.00 H new ATOM 957 N ARG A 60 -0.163 -4.585 -6.108 1.00 0.00 N ATOM 958 CA ARG A 60 1.245 -4.485 -5.766 1.00 0.00 C ATOM 959 C ARG A 60 2.044 -3.989 -6.963 1.00 0.00 C ATOM 960 O ARG A 60 2.137 -4.669 -7.983 1.00 0.00 O ATOM 961 CB ARG A 60 1.782 -5.837 -5.292 1.00 0.00 C ATOM 962 CG ARG A 60 1.020 -6.411 -4.109 1.00 0.00 C ATOM 963 CD ARG A 60 1.595 -7.745 -3.663 1.00 0.00 C ATOM 964 NE ARG A 60 2.930 -7.610 -3.074 1.00 0.00 N ATOM 965 CZ ARG A 60 3.591 -8.618 -2.500 1.00 0.00 C ATOM 966 NH1 ARG A 60 3.065 -9.837 -2.486 1.00 0.00 N ATOM 967 NH2 ARG A 60 4.790 -8.413 -1.965 1.00 0.00 N ATOM 0 H ARG A 60 -0.384 -5.321 -6.779 1.00 0.00 H new ATOM 0 HA ARG A 60 1.352 -3.768 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.741 -6.546 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.831 -5.727 -5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.052 -5.705 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.028 -6.539 -4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.924 -8.201 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.645 -8.420 -4.517 1.00 0.00 H new ATOM 0 HE ARG A 60 3.379 -6.695 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.155 -10.005 -2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.571 -10.606 -2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.208 -7.483 -1.992 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.292 -9.186 -1.527 1.00 0.00 H new ATOM 981 N LEU A 61 2.592 -2.791 -6.836 1.00 0.00 N ATOM 982 CA LEU A 61 3.398 -2.192 -7.889 1.00 0.00 C ATOM 983 C LEU A 61 4.876 -2.366 -7.578 1.00 0.00 C ATOM 984 O LEU A 61 5.386 -1.811 -6.599 1.00 0.00 O ATOM 985 CB LEU A 61 3.069 -0.704 -8.037 1.00 0.00 C ATOM 986 CG LEU A 61 1.637 -0.388 -8.466 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.409 1.115 -8.498 1.00 0.00 C ATOM 988 CD2 LEU A 61 1.345 -0.996 -9.827 1.00 0.00 C ATOM 0 H LEU A 61 2.492 -2.209 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 61 3.168 -2.695 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.262 -0.210 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.753 -0.269 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 61 0.955 -0.825 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.384 1.321 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.580 1.530 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.099 1.573 -9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.321 -0.762 -10.118 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.035 -0.586 -10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.469 -2.078 -9.777 1.00 0.00 H new ATOM 1000 N TYR A 62 5.557 -3.143 -8.402 1.00 0.00 N ATOM 1001 CA TYR A 62 6.967 -3.426 -8.189 1.00 0.00 C ATOM 1002 C TYR A 62 7.848 -2.464 -8.977 1.00 0.00 C ATOM 1003 O TYR A 62 7.986 -2.584 -10.194 1.00 0.00 O ATOM 1004 CB TYR A 62 7.298 -4.867 -8.585 1.00 0.00 C ATOM 1005 CG TYR A 62 6.512 -5.903 -7.817 1.00 0.00 C ATOM 1006 CD1 TYR A 62 6.979 -6.404 -6.610 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.305 -6.382 -8.304 1.00 0.00 C ATOM 1008 CE1 TYR A 62 6.259 -7.351 -5.909 1.00 0.00 C ATOM 1009 CE2 TYR A 62 4.581 -7.325 -7.611 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.062 -7.808 -6.415 1.00 0.00 C ATOM 1011 OH TYR A 62 4.338 -8.747 -5.722 1.00 0.00 O ATOM 0 H TYR A 62 5.156 -3.590 -9.226 1.00 0.00 H new ATOM 0 HA TYR A 62 7.169 -3.293 -7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.107 -4.995 -9.650 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.362 -5.042 -8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.919 -6.048 -6.214 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.927 -6.008 -9.244 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.632 -7.731 -4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.641 -7.684 -8.003 1.00 0.00 H new ATOM 0 HH TYR A 62 3.942 -9.385 -6.352 1.00 0.00 H new ATOM 1021 N LEU A 63 8.426 -1.498 -8.278 1.00 0.00 N ATOM 1022 CA LEU A 63 9.424 -0.620 -8.874 1.00 0.00 C ATOM 1023 C LEU A 63 10.807 -1.144 -8.523 1.00 0.00 C ATOM 1024 O LEU A 63 11.832 -0.623 -8.965 1.00 0.00 O ATOM 1025 CB LEU A 63 9.264 0.829 -8.388 1.00 0.00 C ATOM 1026 CG LEU A 63 8.180 1.664 -9.093 1.00 0.00 C ATOM 1027 CD1 LEU A 63 8.437 1.717 -10.592 1.00 0.00 C ATOM 1028 CD2 LEU A 63 6.788 1.114 -8.812 1.00 0.00 C ATOM 0 H LEU A 63 8.222 -1.302 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 63 9.288 -0.615 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.043 0.810 -7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.220 1.338 -8.506 1.00 0.00 H new ATOM 0 HG LEU A 63 8.228 2.677 -8.694 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.661 2.312 -11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.410 2.171 -10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.425 0.706 -10.999 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.045 1.726 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.723 0.087 -9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.598 1.135 -7.739 1.00 0.00 H new ATOM 1040 N GLY A 64 10.804 -2.186 -7.713 1.00 0.00 N ATOM 1041 CA GLY A 64 12.016 -2.838 -7.285 1.00 0.00 C ATOM 1042 C GLY A 64 11.685 -3.941 -6.307 1.00 0.00 C ATOM 1043 O GLY A 64 10.545 -4.402 -6.268 1.00 0.00 O ATOM 0 H GLY A 64 9.953 -2.602 -7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.543 -3.249 -8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.684 -2.114 -6.819 1.00 0.00 H new ATOM 1047 N LEU A 65 12.652 -4.353 -5.509 1.00 0.00 N ATOM 1048 CA LEU A 65 12.399 -5.351 -4.483 1.00 0.00 C ATOM 1049 C LEU A 65 12.276 -4.663 -3.129 1.00 0.00 C ATOM 1050 O LEU A 65 11.581 -5.139 -2.231 1.00 0.00 O ATOM 1051 CB LEU A 65 13.515 -6.395 -4.459 1.00 0.00 C ATOM 1052 CG LEU A 65 13.234 -7.632 -3.605 1.00 0.00 C ATOM 1053 CD1 LEU A 65 12.001 -8.362 -4.116 1.00 0.00 C ATOM 1054 CD2 LEU A 65 14.440 -8.560 -3.600 1.00 0.00 C ATOM 0 H LEU A 65 13.614 -4.016 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 65 11.465 -5.867 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.711 -6.717 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.426 -5.921 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 65 13.044 -7.309 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.815 -9.240 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.139 -7.696 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.164 -8.674 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.223 -9.435 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.660 -8.876 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.302 -8.034 -3.189 1.00 0.00 H new ATOM 1066 N ASP A 66 12.953 -3.530 -2.998 1.00 0.00 N ATOM 1067 CA ASP A 66 12.870 -2.721 -1.789 1.00 0.00 C ATOM 1068 C ASP A 66 11.781 -1.671 -1.938 1.00 0.00 C ATOM 1069 O ASP A 66 11.319 -1.090 -0.957 1.00 0.00 O ATOM 1070 CB ASP A 66 14.209 -2.039 -1.499 1.00 0.00 C ATOM 1071 CG ASP A 66 15.321 -3.029 -1.228 1.00 0.00 C ATOM 1072 OD1 ASP A 66 15.365 -3.596 -0.116 1.00 0.00 O ATOM 1073 OD2 ASP A 66 16.163 -3.243 -2.124 1.00 0.00 O ATOM 0 H ASP A 66 13.568 -3.149 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 66 12.626 -3.378 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.484 -1.412 -2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.097 -1.379 -0.638 1.00 0.00 H new ATOM 1078 N VAL A 67 11.379 -1.429 -3.177 1.00 0.00 N ATOM 1079 CA VAL A 67 10.326 -0.470 -3.467 1.00 0.00 C ATOM 1080 C VAL A 67 9.043 -1.208 -3.829 1.00 0.00 C ATOM 1081 O VAL A 67 8.880 -1.678 -4.960 1.00 0.00 O ATOM 1082 CB VAL A 67 10.719 0.478 -4.621 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.666 1.559 -4.814 1.00 0.00 C ATOM 1084 CG2 VAL A 67 12.082 1.102 -4.364 1.00 0.00 C ATOM 0 H VAL A 67 11.769 -1.887 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 67 10.170 0.134 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 67 10.778 -0.110 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.964 2.215 -5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.708 1.096 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.571 2.142 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.339 1.766 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.052 1.672 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.833 0.316 -4.283 1.00 0.00 H new ATOM 1094 N LEU A 68 8.144 -1.317 -2.864 1.00 0.00 N ATOM 1095 CA LEU A 68 6.918 -2.074 -3.045 1.00 0.00 C ATOM 1096 C LEU A 68 5.704 -1.217 -2.726 1.00 0.00 C ATOM 1097 O LEU A 68 5.363 -1.012 -1.563 1.00 0.00 O ATOM 1098 CB LEU A 68 6.925 -3.321 -2.154 1.00 0.00 C ATOM 1099 CG LEU A 68 5.633 -4.141 -2.168 1.00 0.00 C ATOM 1100 CD1 LEU A 68 5.376 -4.720 -3.550 1.00 0.00 C ATOM 1101 CD2 LEU A 68 5.695 -5.245 -1.123 1.00 0.00 C ATOM 0 H LEU A 68 8.242 -0.888 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 68 6.861 -2.383 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.748 -3.965 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.130 -3.014 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 68 4.803 -3.479 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.453 -5.299 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.285 -3.909 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.206 -5.368 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.769 -5.819 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.536 -5.904 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.825 -4.804 -0.135 1.00 0.00 H new ATOM 1113 N ILE A 69 5.060 -0.715 -3.762 1.00 0.00 N ATOM 1114 CA ILE A 69 3.861 0.086 -3.590 1.00 0.00 C ATOM 1115 C ILE A 69 2.650 -0.831 -3.472 1.00 0.00 C ATOM 1116 O ILE A 69 2.176 -1.386 -4.461 1.00 0.00 O ATOM 1117 CB ILE A 69 3.660 1.098 -4.751 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.687 2.238 -4.679 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.250 1.671 -4.739 1.00 0.00 C ATOM 1120 CD1 ILE A 69 6.108 1.825 -5.001 1.00 0.00 C ATOM 0 H ILE A 69 5.346 -0.847 -4.732 1.00 0.00 H new ATOM 0 HA ILE A 69 3.975 0.668 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 69 3.809 0.555 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.386 3.026 -5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.665 2.667 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.137 2.376 -5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.528 0.863 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.074 2.185 -3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.765 2.692 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.434 1.061 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.150 1.425 -6.014 1.00 0.00 H new ATOM 1132 N ARG A 70 2.183 -1.026 -2.251 1.00 0.00 N ATOM 1133 CA ARG A 70 1.034 -1.882 -2.012 1.00 0.00 C ATOM 1134 C ARG A 70 -0.174 -1.054 -1.598 1.00 0.00 C ATOM 1135 O ARG A 70 -0.142 -0.339 -0.596 1.00 0.00 O ATOM 1136 CB ARG A 70 1.352 -2.942 -0.949 1.00 0.00 C ATOM 1137 CG ARG A 70 1.838 -2.371 0.374 1.00 0.00 C ATOM 1138 CD ARG A 70 2.010 -3.459 1.422 1.00 0.00 C ATOM 1139 NE ARG A 70 0.747 -4.138 1.729 1.00 0.00 N ATOM 1140 CZ ARG A 70 0.426 -4.603 2.935 1.00 0.00 C ATOM 1141 NH1 ARG A 70 1.273 -4.477 3.949 1.00 0.00 N ATOM 1142 NH2 ARG A 70 -0.746 -5.195 3.132 1.00 0.00 N ATOM 0 H ARG A 70 2.581 -0.604 -1.412 1.00 0.00 H new ATOM 0 HA ARG A 70 0.796 -2.397 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.458 -3.539 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.112 -3.618 -1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.787 -1.857 0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.127 -1.627 0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.737 -4.190 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.416 -3.022 2.334 1.00 0.00 H new ATOM 0 HE ARG A 70 0.073 -4.262 0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.175 -4.022 3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.022 -4.835 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.403 -5.295 2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.989 -5.550 4.057 1.00 0.00 H new ATOM 1156 N MET A 71 -1.229 -1.139 -2.384 1.00 0.00 N ATOM 1157 CA MET A 71 -2.462 -0.439 -2.073 1.00 0.00 C ATOM 1158 C MET A 71 -3.628 -1.410 -2.051 1.00 0.00 C ATOM 1159 O MET A 71 -3.798 -2.219 -2.966 1.00 0.00 O ATOM 1160 CB MET A 71 -2.729 0.694 -3.074 1.00 0.00 C ATOM 1161 CG MET A 71 -2.761 0.249 -4.528 1.00 0.00 C ATOM 1162 SD MET A 71 -3.293 1.562 -5.648 1.00 0.00 S ATOM 1163 CE MET A 71 -2.107 2.848 -5.261 1.00 0.00 C ATOM 0 H MET A 71 -1.258 -1.686 -3.244 1.00 0.00 H new ATOM 0 HA MET A 71 -2.354 0.007 -1.084 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.682 1.163 -2.829 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.959 1.456 -2.956 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.768 -0.093 -4.821 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.434 -0.603 -4.628 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.105 3.592 -6.057 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.381 3.324 -4.320 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.113 2.411 -5.170 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.423 -1.336 -0.999 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.587 -2.179 -0.872 1.00 0.00 C ATOM 1175 C GLU A 72 -6.803 -1.384 -1.323 1.00 0.00 C ATOM 1176 O GLU A 72 -7.277 -0.483 -0.629 1.00 0.00 O ATOM 1177 CB GLU A 72 -5.708 -2.674 0.567 1.00 0.00 C ATOM 1178 CG GLU A 72 -6.987 -3.426 0.879 1.00 0.00 C ATOM 1179 CD GLU A 72 -6.997 -3.945 2.300 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -7.425 -3.204 3.209 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -6.562 -5.093 2.519 1.00 0.00 O ATOM 0 H GLU A 72 -4.278 -0.695 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.506 -3.064 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.860 -3.323 0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.635 -1.818 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.843 -2.769 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.097 -4.260 0.186 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.262 -1.703 -2.512 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.254 -0.907 -3.207 1.00 0.00 C ATOM 1190 C ILE A 73 -9.588 -1.630 -3.285 1.00 0.00 C ATOM 1191 O ILE A 73 -9.687 -2.816 -2.963 1.00 0.00 O ATOM 1192 CB ILE A 73 -7.763 -0.581 -4.632 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.288 -1.868 -5.323 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -6.650 0.459 -4.584 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.542 -1.653 -6.620 1.00 0.00 C ATOM 0 H ILE A 73 -6.957 -2.527 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.396 0.016 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.587 -0.162 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.643 -2.416 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.155 -2.500 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.314 0.679 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.024 1.371 -4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.815 0.071 -4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.247 -2.617 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.188 -1.136 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.653 -1.051 -6.433 1.00 0.00 H new ATOM 1207 N SER A 74 -10.608 -0.912 -3.713 1.00 0.00 N ATOM 1208 CA SER A 74 -11.925 -1.490 -3.869 1.00 0.00 C ATOM 1209 C SER A 74 -12.366 -1.370 -5.315 1.00 0.00 C ATOM 1210 O SER A 74 -12.161 -0.334 -5.950 1.00 0.00 O ATOM 1211 CB SER A 74 -12.925 -0.795 -2.947 1.00 0.00 C ATOM 1212 OG SER A 74 -14.181 -1.450 -2.957 1.00 0.00 O ATOM 0 H SER A 74 -10.548 0.076 -3.959 1.00 0.00 H new ATOM 0 HA SER A 74 -11.885 -2.544 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.532 -0.775 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.051 0.241 -3.260 1.00 0.00 H new ATOM 0 HG SER A 74 -14.798 -0.983 -2.356 1.00 0.00 H new ATOM 1218 N LEU A 75 -12.947 -2.433 -5.839 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.425 -2.439 -7.208 1.00 0.00 C ATOM 1220 C LEU A 75 -14.621 -1.505 -7.355 1.00 0.00 C ATOM 1221 O LEU A 75 -15.623 -1.651 -6.655 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.804 -3.861 -7.629 1.00 0.00 C ATOM 1223 CG LEU A 75 -14.310 -3.994 -9.061 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -13.226 -3.607 -10.053 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.813 -5.405 -9.328 1.00 0.00 C ATOM 0 H LEU A 75 -13.099 -3.306 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.626 -2.084 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.933 -4.505 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.573 -4.232 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.147 -3.308 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.609 -3.709 -11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.927 -2.573 -9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.363 -4.261 -9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.169 -5.476 -10.356 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.001 -6.116 -9.175 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.630 -5.635 -8.644 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.504 -0.533 -8.248 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.578 0.419 -8.478 1.00 0.00 C ATOM 1239 C ALA A 76 -16.449 -0.029 -9.642 1.00 0.00 C ATOM 1240 O ALA A 76 -17.658 -0.199 -9.497 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.014 1.807 -8.741 1.00 0.00 C ATOM 0 H ALA A 76 -13.676 -0.384 -8.824 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.196 0.462 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.833 2.506 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.432 2.133 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.373 1.778 -9.622 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.824 -0.233 -10.793 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.544 -0.657 -11.981 1.00 0.00 C ATOM 1249 C TRP A 77 -15.700 -1.613 -12.811 1.00 0.00 C ATOM 1250 O TRP A 77 -14.472 -1.512 -12.841 1.00 0.00 O ATOM 1251 CB TRP A 77 -16.971 0.552 -12.828 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.843 1.458 -13.236 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.340 2.513 -12.529 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -15.091 1.398 -14.455 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.320 3.110 -13.232 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.147 2.442 -14.417 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -15.122 0.556 -15.572 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.244 2.667 -15.453 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -14.228 0.782 -16.600 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.299 1.829 -16.536 1.00 0.00 C ATOM 0 H TRP A 77 -14.820 -0.111 -10.927 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.443 -1.181 -11.657 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.473 0.191 -13.726 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.702 1.133 -12.266 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.692 2.832 -11.559 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -13.780 3.918 -12.922 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.832 -0.256 -15.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.526 3.473 -15.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -14.245 0.140 -17.469 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.613 1.979 -17.356 1.00 0.00 H new ATOM 1271 N ALA A 78 -16.368 -2.545 -13.471 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.704 -3.496 -14.344 1.00 0.00 C ATOM 1273 C ALA A 78 -16.410 -3.539 -15.690 1.00 0.00 C ATOM 1274 O ALA A 78 -17.615 -3.789 -15.760 1.00 0.00 O ATOM 1275 CB ALA A 78 -15.684 -4.875 -13.705 1.00 0.00 C ATOM 0 H ALA A 78 -17.380 -2.663 -13.417 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.673 -3.178 -14.499 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -15.183 -5.577 -14.371 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.148 -4.829 -12.757 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.706 -5.209 -13.528 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.668 -3.274 -16.754 1.00 0.00 N ATOM 1282 CA ARG A 79 -16.240 -3.261 -18.092 1.00 0.00 C ATOM 1283 C ARG A 79 -15.376 -4.069 -19.054 1.00 0.00 C ATOM 1284 O ARG A 79 -14.316 -3.608 -19.486 1.00 0.00 O ATOM 1285 CB ARG A 79 -16.396 -1.819 -18.575 1.00 0.00 C ATOM 1286 CG ARG A 79 -17.092 -1.683 -19.920 1.00 0.00 C ATOM 1287 CD ARG A 79 -17.598 -0.264 -20.128 1.00 0.00 C ATOM 1288 NE ARG A 79 -18.621 0.088 -19.144 1.00 0.00 N ATOM 1289 CZ ARG A 79 -18.536 1.122 -18.307 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -17.483 1.929 -18.350 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -19.506 1.342 -17.425 1.00 0.00 N ATOM 0 H ARG A 79 -14.670 -3.065 -16.718 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.225 -3.726 -18.060 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.958 -1.257 -17.829 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.409 -1.361 -18.642 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.401 -1.948 -20.720 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.926 -2.383 -19.975 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.765 0.435 -20.055 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.009 -0.166 -21.133 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.455 -0.497 -19.095 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.737 1.758 -19.024 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -17.420 2.720 -17.709 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.314 0.720 -17.389 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -19.443 2.133 -16.784 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.844 -5.281 -19.363 1.00 0.00 N ATOM 1306 CA ASP A 80 -15.143 -6.216 -20.252 1.00 0.00 C ATOM 1307 C ASP A 80 -13.810 -6.662 -19.647 1.00 0.00 C ATOM 1308 O ASP A 80 -13.733 -7.706 -19.000 1.00 0.00 O ATOM 1309 CB ASP A 80 -14.925 -5.605 -21.644 1.00 0.00 C ATOM 1310 CG ASP A 80 -14.237 -6.562 -22.599 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.013 -6.426 -22.803 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -14.918 -7.451 -23.151 1.00 0.00 O ATOM 0 H ASP A 80 -16.726 -5.645 -19.002 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.777 -7.096 -20.364 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.887 -5.309 -22.062 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.327 -4.699 -21.550 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.773 -5.863 -19.847 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.474 -6.174 -19.286 1.00 0.00 C ATOM 1319 C GLY A 81 -10.896 -5.008 -18.515 1.00 0.00 C ATOM 1320 O GLY A 81 -9.896 -5.149 -17.810 1.00 0.00 O ATOM 0 H GLY A 81 -12.808 -5.001 -20.390 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.561 -7.037 -18.626 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.790 -6.453 -20.088 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.531 -3.852 -18.644 1.00 0.00 N ATOM 1325 CA LEU A 82 -11.074 -2.658 -17.958 1.00 0.00 C ATOM 1326 C LEU A 82 -11.642 -2.616 -16.551 1.00 0.00 C ATOM 1327 O LEU A 82 -12.860 -2.541 -16.360 1.00 0.00 O ATOM 1328 CB LEU A 82 -11.472 -1.401 -18.734 1.00 0.00 C ATOM 1329 CG LEU A 82 -10.841 -1.275 -20.122 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -11.259 0.030 -20.784 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -9.324 -1.365 -20.028 1.00 0.00 C ATOM 0 H LEU A 82 -12.364 -3.718 -19.218 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.986 -2.688 -17.897 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.557 -1.386 -18.841 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -11.198 -0.526 -18.145 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.198 -2.101 -20.738 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.800 0.101 -21.770 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.344 0.055 -20.886 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.933 0.870 -20.171 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.892 -1.273 -21.024 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.950 -0.560 -19.395 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.043 -2.326 -19.597 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.758 -2.678 -15.574 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.161 -2.738 -14.181 1.00 0.00 C ATOM 1345 C LEU A 83 -10.736 -1.470 -13.456 1.00 0.00 C ATOM 1346 O LEU A 83 -9.542 -1.195 -13.317 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.536 -3.963 -13.514 1.00 0.00 C ATOM 1348 CG LEU A 83 -10.754 -5.286 -14.251 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -9.966 -6.400 -13.589 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -12.232 -5.639 -14.298 1.00 0.00 C ATOM 0 H LEU A 83 -9.749 -2.688 -15.720 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.247 -2.821 -14.128 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.464 -3.794 -13.412 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.942 -4.055 -12.506 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.396 -5.168 -15.274 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.133 -7.333 -14.127 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.904 -6.156 -13.608 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.294 -6.513 -12.556 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.364 -6.583 -14.826 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.616 -5.735 -13.282 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.778 -4.852 -14.819 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.718 -0.697 -13.011 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.436 0.544 -12.320 1.00 0.00 C ATOM 1364 C GLY A 84 -11.564 0.394 -10.822 1.00 0.00 C ATOM 1365 O GLY A 84 -12.625 0.018 -10.315 1.00 0.00 O ATOM 0 H GLY A 84 -12.710 -0.910 -13.118 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.428 0.877 -12.567 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.121 1.317 -12.668 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.484 0.676 -10.110 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.468 0.536 -8.663 1.00 0.00 C ATOM 1371 C PHE A 85 -10.322 1.889 -7.989 1.00 0.00 C ATOM 1372 O PHE A 85 -9.683 2.796 -8.528 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.316 -0.364 -8.215 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.338 -1.744 -8.809 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -8.699 -2.007 -10.010 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -9.989 -2.780 -8.159 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -8.712 -3.276 -10.550 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -10.004 -4.050 -8.699 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.365 -4.298 -9.894 1.00 0.00 C ATOM 0 H PHE A 85 -9.606 1.004 -10.512 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.416 0.085 -8.371 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.373 0.116 -8.477 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.339 -0.449 -7.129 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.186 -1.211 -10.528 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.490 -2.592 -7.221 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.211 -3.469 -11.487 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.517 -4.849 -8.185 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.376 -5.292 -10.317 1.00 0.00 H new ATOM 1389 N GLU A 86 -10.909 2.012 -6.814 1.00 0.00 N ATOM 1390 CA GLU A 86 -10.764 3.210 -6.005 1.00 0.00 C ATOM 1391 C GLU A 86 -9.896 2.913 -4.792 1.00 0.00 C ATOM 1392 O GLU A 86 -9.872 1.784 -4.294 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.127 3.733 -5.560 1.00 0.00 C ATOM 1394 CG GLU A 86 -13.000 4.212 -6.706 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.321 4.768 -6.228 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -15.216 3.967 -5.883 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -14.474 6.009 -6.193 1.00 0.00 O ATOM 0 H GLU A 86 -11.496 1.291 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.284 3.980 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.651 2.944 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.980 4.554 -4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.468 4.979 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.183 3.384 -7.391 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.186 3.923 -4.325 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.268 3.768 -3.211 1.00 0.00 C ATOM 1406 C CYS A 87 -9.026 3.632 -1.892 1.00 0.00 C ATOM 1407 O CYS A 87 -9.777 4.527 -1.498 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.313 4.960 -3.171 1.00 0.00 C ATOM 1409 SG CYS A 87 -8.143 6.566 -3.188 1.00 0.00 S ATOM 0 H CYS A 87 -9.228 4.869 -4.704 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.691 2.854 -3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.698 4.890 -2.274 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.639 4.902 -4.026 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.318 7.477 -3.611 1.00 0.00 H new ATOM 1415 N GLN A 88 -8.841 2.502 -1.220 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.526 2.245 0.038 1.00 0.00 C ATOM 1417 C GLN A 88 -8.550 2.382 1.201 1.00 0.00 C ATOM 1418 O GLN A 88 -8.698 3.250 2.061 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.131 0.843 0.031 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.352 0.710 0.924 1.00 0.00 C ATOM 1421 CD GLN A 88 -12.509 1.553 0.426 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -13.338 0.970 -0.421 1.00 0.00 O flip ATOM 1423 NE2 GLN A 88 -12.655 2.715 0.799 1.00 0.00 N flip ATOM 0 H GLN A 88 -8.223 1.751 -1.526 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.327 2.975 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.406 0.579 -0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.375 0.127 0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.657 -0.335 0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.094 1.011 1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.991 3.127 1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.440 3.267 0.453 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.549 1.518 1.210 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.496 1.551 2.211 1.00 0.00 C ATOM 1434 C HIS A 89 -5.169 1.840 1.524 1.00 0.00 C ATOM 1435 O HIS A 89 -4.557 0.951 0.924 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.455 0.214 2.971 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.302 0.037 3.926 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -5.431 0.143 5.294 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -4.002 -0.287 3.702 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -4.267 -0.105 5.868 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.385 -0.370 4.925 1.00 0.00 N ATOM 0 H HIS A 89 -7.443 0.772 0.522 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.692 2.340 2.937 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.385 0.107 3.530 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.426 -0.596 2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.540 -0.449 2.740 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.071 -0.093 6.930 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.403 -0.600 5.079 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.748 3.091 1.578 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.519 3.502 0.927 1.00 0.00 C ATOM 1452 C ILE A 90 -2.377 3.511 1.929 1.00 0.00 C ATOM 1453 O ILE A 90 -2.469 4.149 2.978 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.636 4.906 0.302 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -5.002 5.100 -0.362 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -2.526 5.109 -0.719 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -5.229 6.509 -0.873 1.00 0.00 C ATOM 0 H ILE A 90 -5.240 3.839 2.066 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.324 2.784 0.130 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.537 5.646 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.096 4.401 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.785 4.851 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.613 6.103 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.558 5.013 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.611 4.357 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.216 6.575 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.167 7.212 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.468 6.754 -1.614 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.316 2.788 1.612 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.140 2.750 2.466 1.00 0.00 C ATOM 1471 C ASP A 91 0.568 4.103 2.428 1.00 0.00 C ATOM 1472 O ASP A 91 0.603 4.759 1.385 1.00 0.00 O ATOM 1473 CB ASP A 91 0.810 1.640 2.004 1.00 0.00 C ATOM 1474 CG ASP A 91 1.931 1.381 2.990 1.00 0.00 C ATOM 1475 OD1 ASP A 91 2.848 2.215 3.086 1.00 0.00 O ATOM 1476 OD2 ASP A 91 1.899 0.338 3.671 1.00 0.00 O ATOM 0 H ASP A 91 -1.245 2.219 0.769 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.448 2.540 3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.243 0.721 1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.237 1.911 1.038 1.00 0.00 H new ATOM 1481 N LEU A 92 1.124 4.517 3.561 1.00 0.00 N ATOM 1482 CA LEU A 92 1.828 5.795 3.655 1.00 0.00 C ATOM 1483 C LEU A 92 3.006 5.831 2.686 1.00 0.00 C ATOM 1484 O LEU A 92 3.263 6.846 2.034 1.00 0.00 O ATOM 1485 CB LEU A 92 2.325 6.042 5.085 1.00 0.00 C ATOM 1486 CG LEU A 92 1.246 6.377 6.126 1.00 0.00 C ATOM 1487 CD1 LEU A 92 0.394 5.160 6.459 1.00 0.00 C ATOM 1488 CD2 LEU A 92 1.888 6.934 7.387 1.00 0.00 C ATOM 0 H LEU A 92 1.102 3.986 4.431 1.00 0.00 H new ATOM 0 HA LEU A 92 1.125 6.584 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.861 5.154 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.045 6.860 5.062 1.00 0.00 H new ATOM 0 HG LEU A 92 0.590 7.133 5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.359 5.434 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.099 4.802 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.029 4.371 6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.113 7.168 8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.570 6.194 7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.442 7.841 7.143 1.00 0.00 H new ATOM 1500 N ASP A 93 3.696 4.705 2.574 1.00 0.00 N ATOM 1501 CA ASP A 93 4.835 4.579 1.675 1.00 0.00 C ATOM 1502 C ASP A 93 4.362 4.612 0.227 1.00 0.00 C ATOM 1503 O ASP A 93 5.036 5.158 -0.652 1.00 0.00 O ATOM 1504 CB ASP A 93 5.586 3.276 1.965 1.00 0.00 C ATOM 1505 CG ASP A 93 6.740 3.033 1.017 1.00 0.00 C ATOM 1506 OD1 ASP A 93 7.782 3.710 1.155 1.00 0.00 O ATOM 1507 OD2 ASP A 93 6.615 2.157 0.138 1.00 0.00 O ATOM 0 H ASP A 93 3.484 3.857 3.100 1.00 0.00 H new ATOM 0 HA ASP A 93 5.514 5.416 1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.963 3.300 2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.889 2.440 1.902 1.00 0.00 H new ATOM 1512 N SER A 94 3.182 4.047 -0.006 1.00 0.00 N ATOM 1513 CA SER A 94 2.564 4.064 -1.322 1.00 0.00 C ATOM 1514 C SER A 94 2.318 5.503 -1.769 1.00 0.00 C ATOM 1515 O SER A 94 2.641 5.875 -2.898 1.00 0.00 O ATOM 1516 CB SER A 94 1.242 3.285 -1.296 1.00 0.00 C ATOM 1517 OG SER A 94 0.610 3.295 -2.563 1.00 0.00 O ATOM 0 H SER A 94 2.633 3.568 0.708 1.00 0.00 H new ATOM 0 HA SER A 94 3.239 3.586 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.431 2.256 -0.990 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.576 3.722 -0.552 1.00 0.00 H new ATOM 0 HG SER A 94 -0.228 2.790 -2.514 1.00 0.00 H new ATOM 1523 N ILE A 95 1.758 6.309 -0.869 1.00 0.00 N ATOM 1524 CA ILE A 95 1.495 7.718 -1.150 1.00 0.00 C ATOM 1525 C ILE A 95 2.795 8.448 -1.461 1.00 0.00 C ATOM 1526 O ILE A 95 2.878 9.221 -2.420 1.00 0.00 O ATOM 1527 CB ILE A 95 0.805 8.413 0.045 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.478 7.674 0.426 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.502 9.870 -0.285 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.158 8.227 1.662 1.00 0.00 C ATOM 0 H ILE A 95 1.477 6.008 0.064 1.00 0.00 H new ATOM 0 HA ILE A 95 0.830 7.758 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 95 1.485 8.387 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.174 7.719 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.245 6.622 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.016 10.343 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.432 10.393 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.159 9.917 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.060 7.652 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.480 8.157 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.424 9.271 1.495 1.00 0.00 H new ATOM 1542 N SER A 96 3.808 8.177 -0.646 1.00 0.00 N ATOM 1543 CA SER A 96 5.110 8.807 -0.787 1.00 0.00 C ATOM 1544 C SER A 96 5.698 8.565 -2.179 1.00 0.00 C ATOM 1545 O SER A 96 5.971 9.515 -2.913 1.00 0.00 O ATOM 1546 CB SER A 96 6.054 8.274 0.297 1.00 0.00 C ATOM 1547 OG SER A 96 7.334 8.876 0.219 1.00 0.00 O ATOM 0 H SER A 96 3.748 7.516 0.128 1.00 0.00 H new ATOM 0 HA SER A 96 4.991 9.884 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.623 8.462 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.153 7.193 0.194 1.00 0.00 H new ATOM 0 HG SER A 96 7.909 8.514 0.925 1.00 0.00 H new ATOM 1553 N HIS A 97 5.858 7.297 -2.555 1.00 0.00 N ATOM 1554 CA HIS A 97 6.496 6.955 -3.830 1.00 0.00 C ATOM 1555 C HIS A 97 5.675 7.438 -5.018 1.00 0.00 C ATOM 1556 O HIS A 97 6.235 7.819 -6.048 1.00 0.00 O ATOM 1557 CB HIS A 97 6.732 5.448 -3.952 1.00 0.00 C ATOM 1558 CG HIS A 97 7.805 4.925 -3.047 1.00 0.00 C ATOM 1559 ND1 HIS A 97 7.731 4.374 -1.818 1.00 0.00 N flip ATOM 1560 CD2 HIS A 97 9.143 4.928 -3.379 1.00 0.00 C flip ATOM 1561 CE1 HIS A 97 9.006 4.055 -1.431 1.00 0.00 C flip ATOM 1562 NE2 HIS A 97 9.841 4.400 -2.391 1.00 0.00 N flip ATOM 0 H HIS A 97 5.558 6.494 -2.002 1.00 0.00 H new ATOM 0 HA HIS A 97 7.459 7.465 -3.841 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.800 4.926 -3.734 1.00 0.00 H new ATOM 0 HB3 HIS A 97 6.995 5.214 -4.984 1.00 0.00 H new ATOM 0 HD1 HIS A 97 6.881 4.222 -1.276 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.556 5.304 -4.304 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.282 3.596 -0.493 1.00 0.00 H new ATOM 1571 N LEU A 98 4.355 7.427 -4.873 1.00 0.00 N ATOM 1572 CA LEU A 98 3.466 7.855 -5.946 1.00 0.00 C ATOM 1573 C LEU A 98 3.736 9.304 -6.330 1.00 0.00 C ATOM 1574 O LEU A 98 4.089 9.594 -7.477 1.00 0.00 O ATOM 1575 CB LEU A 98 1.998 7.682 -5.541 1.00 0.00 C ATOM 1576 CG LEU A 98 1.230 6.598 -6.308 1.00 0.00 C ATOM 1577 CD1 LEU A 98 1.177 6.929 -7.792 1.00 0.00 C ATOM 1578 CD2 LEU A 98 1.861 5.231 -6.090 1.00 0.00 C ATOM 0 H LEU A 98 3.877 7.127 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 98 3.664 7.224 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.957 7.449 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.485 8.634 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 98 0.211 6.568 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.628 6.149 -8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.674 7.885 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.191 6.990 -8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.299 4.479 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.892 5.246 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.844 4.988 -5.028 1.00 0.00 H new ATOM 1590 N ARG A 99 3.597 10.215 -5.372 1.00 0.00 N ATOM 1591 CA ARG A 99 3.819 11.621 -5.664 1.00 0.00 C ATOM 1592 C ARG A 99 5.290 11.889 -5.941 1.00 0.00 C ATOM 1593 O ARG A 99 5.613 12.692 -6.801 1.00 0.00 O ATOM 1594 CB ARG A 99 3.326 12.543 -4.545 1.00 0.00 C ATOM 1595 CG ARG A 99 3.581 14.010 -4.868 1.00 0.00 C ATOM 1596 CD ARG A 99 3.004 14.963 -3.836 1.00 0.00 C ATOM 1597 NE ARG A 99 3.339 16.351 -4.168 1.00 0.00 N ATOM 1598 CZ ARG A 99 2.441 17.308 -4.403 1.00 0.00 C ATOM 1599 NH1 ARG A 99 1.143 17.061 -4.283 1.00 0.00 N ATOM 1600 NH2 ARG A 99 2.846 18.520 -4.755 1.00 0.00 N ATOM 0 H ARG A 99 3.337 10.009 -4.407 1.00 0.00 H new ATOM 0 HA ARG A 99 3.233 11.846 -6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.259 12.385 -4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.827 12.283 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.656 14.176 -4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.153 14.240 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.921 14.846 -3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.393 14.716 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 99 4.326 16.602 -4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.824 16.132 -4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.464 17.800 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.842 18.719 -4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.161 19.254 -4.935 1.00 0.00 H new ATOM 1614 N ARG A 100 6.178 11.206 -5.228 1.00 0.00 N ATOM 1615 CA ARG A 100 7.612 11.419 -5.402 1.00 0.00 C ATOM 1616 C ARG A 100 8.047 11.164 -6.841 1.00 0.00 C ATOM 1617 O ARG A 100 8.823 11.935 -7.406 1.00 0.00 O ATOM 1618 CB ARG A 100 8.414 10.542 -4.442 1.00 0.00 C ATOM 1619 CG ARG A 100 9.052 11.332 -3.312 1.00 0.00 C ATOM 1620 CD ARG A 100 10.147 12.244 -3.842 1.00 0.00 C ATOM 1621 NE ARG A 100 10.557 13.251 -2.868 1.00 0.00 N ATOM 1622 CZ ARG A 100 11.815 13.445 -2.482 1.00 0.00 C ATOM 1623 NH1 ARG A 100 12.783 12.655 -2.924 1.00 0.00 N ATOM 1624 NH2 ARG A 100 12.109 14.424 -1.639 1.00 0.00 N ATOM 0 H ARG A 100 5.934 10.505 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 100 7.815 12.465 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 100 7.759 9.780 -4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.193 10.021 -4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.293 11.926 -2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 100 9.469 10.647 -2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.011 11.643 -4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.796 12.740 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 100 9.834 13.842 -2.458 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.566 11.892 -3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.745 12.810 -2.623 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.370 15.031 -1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 100 13.074 14.571 -1.345 1.00 0.00 H new ATOM 1638 N LEU A 101 7.533 10.096 -7.439 1.00 0.00 N ATOM 1639 CA LEU A 101 7.887 9.760 -8.812 1.00 0.00 C ATOM 1640 C LEU A 101 7.321 10.791 -9.789 1.00 0.00 C ATOM 1641 O LEU A 101 8.056 11.354 -10.598 1.00 0.00 O ATOM 1642 CB LEU A 101 7.382 8.359 -9.172 1.00 0.00 C ATOM 1643 CG LEU A 101 7.753 7.878 -10.578 1.00 0.00 C ATOM 1644 CD1 LEU A 101 9.264 7.800 -10.738 1.00 0.00 C ATOM 1645 CD2 LEU A 101 7.119 6.526 -10.866 1.00 0.00 C ATOM 0 H LEU A 101 6.875 9.453 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 101 8.974 9.771 -8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.777 7.649 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.297 8.344 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 101 7.368 8.601 -11.297 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.506 7.456 -11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.698 8.787 -10.577 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.672 7.101 -10.008 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.394 6.201 -11.869 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.473 5.796 -10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.034 6.611 -10.797 1.00 0.00 H new ATOM 1657 N VAL A 102 6.022 11.056 -9.695 1.00 0.00 N ATOM 1658 CA VAL A 102 5.352 11.962 -10.633 1.00 0.00 C ATOM 1659 C VAL A 102 5.879 13.396 -10.511 1.00 0.00 C ATOM 1660 O VAL A 102 6.017 14.108 -11.510 1.00 0.00 O ATOM 1661 CB VAL A 102 3.823 11.952 -10.414 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.122 12.862 -11.412 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.280 10.536 -10.519 1.00 0.00 C ATOM 0 H VAL A 102 5.410 10.659 -8.982 1.00 0.00 H new ATOM 0 HA VAL A 102 5.572 11.599 -11.637 1.00 0.00 H new ATOM 0 HB VAL A 102 3.624 12.330 -9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.047 12.836 -11.235 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.485 13.883 -11.291 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.331 12.520 -12.426 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.201 10.547 -10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.499 10.135 -11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.750 9.909 -9.762 1.00 0.00 H new ATOM 1673 N GLU A 103 6.193 13.801 -9.289 1.00 0.00 N ATOM 1674 CA GLU A 103 6.644 15.158 -9.002 1.00 0.00 C ATOM 1675 C GLU A 103 8.035 15.410 -9.578 1.00 0.00 C ATOM 1676 O GLU A 103 8.242 16.374 -10.313 1.00 0.00 O ATOM 1677 CB GLU A 103 6.643 15.396 -7.487 1.00 0.00 C ATOM 1678 CG GLU A 103 6.962 16.822 -7.070 1.00 0.00 C ATOM 1679 CD GLU A 103 6.898 17.012 -5.567 1.00 0.00 C ATOM 1680 OE1 GLU A 103 7.928 16.813 -4.890 1.00 0.00 O ATOM 1681 OE2 GLU A 103 5.816 17.372 -5.051 1.00 0.00 O ATOM 0 H GLU A 103 6.143 13.199 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 103 5.955 15.857 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.664 15.126 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.369 14.726 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.958 17.088 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.260 17.504 -7.550 1.00 0.00 H new ATOM 1688 N LEU A 104 8.979 14.528 -9.259 1.00 0.00 N ATOM 1689 CA LEU A 104 10.358 14.682 -9.720 1.00 0.00 C ATOM 1690 C LEU A 104 10.467 14.435 -11.222 1.00 0.00 C ATOM 1691 O LEU A 104 11.346 14.983 -11.888 1.00 0.00 O ATOM 1692 CB LEU A 104 11.298 13.742 -8.952 1.00 0.00 C ATOM 1693 CG LEU A 104 11.795 14.259 -7.593 1.00 0.00 C ATOM 1694 CD1 LEU A 104 10.634 14.507 -6.638 1.00 0.00 C ATOM 1695 CD2 LEU A 104 12.785 13.277 -6.986 1.00 0.00 C ATOM 0 H LEU A 104 8.816 13.701 -8.685 1.00 0.00 H new ATOM 0 HA LEU A 104 10.661 15.710 -9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.784 12.794 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.165 13.533 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 104 12.300 15.211 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 104 11.018 14.872 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 104 9.962 15.250 -7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.090 13.576 -6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.129 13.655 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.299 12.312 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.637 13.159 -7.655 1.00 0.00 H new ATOM 1707 N ASN A 105 9.561 13.623 -11.753 1.00 0.00 N ATOM 1708 CA ASN A 105 9.515 13.360 -13.189 1.00 0.00 C ATOM 1709 C ASN A 105 8.889 14.554 -13.909 1.00 0.00 C ATOM 1710 O ASN A 105 8.977 14.680 -15.130 1.00 0.00 O ATOM 1711 CB ASN A 105 8.703 12.090 -13.466 1.00 0.00 C ATOM 1712 CG ASN A 105 9.074 11.407 -14.771 1.00 0.00 C ATOM 1713 OD1 ASN A 105 8.905 10.095 -14.812 1.00 0.00 O flip ATOM 1714 ND2 ASN A 105 9.512 12.042 -15.729 1.00 0.00 N flip ATOM 0 H ASN A 105 8.847 13.134 -11.212 1.00 0.00 H new ATOM 0 HA ASN A 105 10.529 13.212 -13.559 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.848 11.389 -12.644 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.643 12.343 -13.486 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.629 13.053 -15.660 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.758 11.558 -16.592 1.00 0.00 H new ATOM 1721 N LEU A 106 8.268 15.430 -13.120 1.00 0.00 N ATOM 1722 CA LEU A 106 7.607 16.630 -13.621 1.00 0.00 C ATOM 1723 C LEU A 106 6.427 16.264 -14.518 1.00 0.00 C ATOM 1724 O LEU A 106 6.220 16.854 -15.581 1.00 0.00 O ATOM 1725 CB LEU A 106 8.603 17.536 -14.359 1.00 0.00 C ATOM 1726 CG LEU A 106 8.519 19.024 -13.995 1.00 0.00 C ATOM 1727 CD1 LEU A 106 7.206 19.633 -14.465 1.00 0.00 C ATOM 1728 CD2 LEU A 106 8.680 19.209 -12.493 1.00 0.00 C ATOM 0 H LEU A 106 8.210 15.324 -12.107 1.00 0.00 H new ATOM 0 HA LEU A 106 7.220 17.186 -12.767 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.614 17.183 -14.153 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.441 17.430 -15.432 1.00 0.00 H new ATOM 0 HG LEU A 106 9.331 19.542 -14.505 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.176 20.688 -14.193 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.127 19.535 -15.548 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.373 19.112 -13.992 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.618 20.269 -12.248 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.888 18.670 -11.973 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.649 18.820 -12.180 1.00 0.00 H new ATOM 1740 N GLY A 107 5.647 15.288 -14.070 1.00 0.00 N ATOM 1741 CA GLY A 107 4.426 14.935 -14.764 1.00 0.00 C ATOM 1742 C GLY A 107 3.256 15.750 -14.255 1.00 0.00 C ATOM 1743 O GLY A 107 2.140 15.632 -14.757 1.00 0.00 O ATOM 0 H GLY A 107 5.840 14.734 -13.236 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.551 15.101 -15.834 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.220 13.873 -14.628 1.00 0.00 H new ATOM 1747 N ASP A 108 3.545 16.580 -13.246 1.00 0.00 N ATOM 1748 CA ASP A 108 2.565 17.471 -12.616 1.00 0.00 C ATOM 1749 C ASP A 108 1.584 16.679 -11.753 1.00 0.00 C ATOM 1750 O ASP A 108 1.208 15.554 -12.083 1.00 0.00 O ATOM 1751 CB ASP A 108 1.809 18.298 -13.662 1.00 0.00 C ATOM 1752 CG ASP A 108 1.193 19.551 -13.076 1.00 0.00 C ATOM 1753 OD1 ASP A 108 0.258 19.441 -12.261 1.00 0.00 O ATOM 1754 OD2 ASP A 108 1.652 20.661 -13.428 1.00 0.00 O ATOM 0 H ASP A 108 4.478 16.652 -12.839 1.00 0.00 H new ATOM 0 HA ASP A 108 3.114 18.160 -11.973 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.492 18.574 -14.465 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.025 17.686 -14.107 1.00 0.00 H new ATOM 1759 N GLU A 109 1.163 17.268 -10.640 1.00 0.00 N ATOM 1760 CA GLU A 109 0.264 16.584 -9.721 1.00 0.00 C ATOM 1761 C GLU A 109 -1.167 16.608 -10.248 1.00 0.00 C ATOM 1762 O GLU A 109 -2.049 15.950 -9.696 1.00 0.00 O ATOM 1763 CB GLU A 109 0.329 17.205 -8.323 1.00 0.00 C ATOM 1764 CG GLU A 109 -0.035 18.678 -8.280 1.00 0.00 C ATOM 1765 CD GLU A 109 -0.074 19.218 -6.867 1.00 0.00 C ATOM 1766 OE1 GLU A 109 -1.136 19.127 -6.222 1.00 0.00 O ATOM 1767 OE2 GLU A 109 0.958 19.733 -6.390 1.00 0.00 O ATOM 0 H GLU A 109 1.428 18.211 -10.354 1.00 0.00 H new ATOM 0 HA GLU A 109 0.588 15.546 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.343 16.657 -7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.337 17.080 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.689 19.246 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.008 18.824 -8.749 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.383 17.363 -11.323 1.00 0.00 N ATOM 1775 CA GLU A 110 -2.681 17.417 -11.988 1.00 0.00 C ATOM 1776 C GLU A 110 -3.137 16.010 -12.365 1.00 0.00 C ATOM 1777 O GLU A 110 -4.309 15.659 -12.221 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.586 18.282 -13.249 1.00 0.00 C ATOM 1779 CG GLU A 110 -3.932 18.649 -13.851 1.00 0.00 C ATOM 1780 CD GLU A 110 -4.730 19.570 -12.952 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -5.758 19.132 -12.397 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -4.319 20.738 -12.785 1.00 0.00 O ATOM 0 H GLU A 110 -0.669 17.950 -11.754 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.407 17.856 -11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.045 19.198 -13.009 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.998 17.751 -13.997 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.777 19.131 -14.816 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.505 17.740 -14.037 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.192 15.198 -12.821 1.00 0.00 N ATOM 1790 CA LEU A 111 -2.493 13.838 -13.242 1.00 0.00 C ATOM 1791 C LEU A 111 -2.832 12.949 -12.046 1.00 0.00 C ATOM 1792 O LEU A 111 -3.526 11.943 -12.183 1.00 0.00 O ATOM 1793 CB LEU A 111 -1.321 13.250 -14.029 1.00 0.00 C ATOM 1794 CG LEU A 111 -0.974 13.986 -15.325 1.00 0.00 C ATOM 1795 CD1 LEU A 111 0.201 13.321 -16.021 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.179 14.036 -16.253 1.00 0.00 C ATOM 0 H LEU A 111 -1.210 15.459 -12.908 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.368 13.875 -13.891 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.440 13.242 -13.387 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.550 12.212 -14.269 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.691 15.007 -15.070 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.432 13.860 -16.940 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.070 13.337 -15.363 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.054 12.289 -16.260 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.911 14.563 -17.169 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.493 13.021 -16.497 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.997 14.559 -15.759 1.00 0.00 H new ATOM 1808 N LEU A 112 -2.370 13.327 -10.872 1.00 0.00 N ATOM 1809 CA LEU A 112 -2.658 12.559 -9.672 1.00 0.00 C ATOM 1810 C LEU A 112 -4.042 12.906 -9.140 1.00 0.00 C ATOM 1811 O LEU A 112 -4.667 12.103 -8.452 1.00 0.00 O ATOM 1812 CB LEU A 112 -1.600 12.822 -8.597 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.192 12.334 -8.937 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.788 12.735 -7.844 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -0.184 10.825 -9.132 1.00 0.00 C ATOM 0 H LEU A 112 -1.796 14.157 -10.720 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.636 11.500 -9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.559 13.894 -8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.919 12.344 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 112 0.120 12.804 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.786 12.380 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.803 13.821 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.478 12.292 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.826 10.495 -9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.516 10.338 -8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.857 10.560 -9.947 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.536 14.079 -9.522 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.767 14.620 -8.962 1.00 0.00 C ATOM 1829 C GLU A 113 -6.896 14.626 -9.984 1.00 0.00 C ATOM 1830 O GLU A 113 -7.841 15.407 -9.871 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.524 16.038 -8.449 1.00 0.00 C ATOM 1832 CG GLU A 113 -4.616 16.093 -7.234 1.00 0.00 C ATOM 1833 CD GLU A 113 -5.178 15.315 -6.061 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -4.681 14.208 -5.782 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -6.126 15.811 -5.416 1.00 0.00 O ATOM 0 H GLU A 113 -4.098 14.677 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.069 13.976 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.085 16.635 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.481 16.495 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.637 15.693 -7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -4.468 17.132 -6.940 1.00 0.00 H new ATOM 1842 N ARG A 114 -6.799 13.762 -10.981 1.00 0.00 N ATOM 1843 CA ARG A 114 -7.883 13.593 -11.940 1.00 0.00 C ATOM 1844 C ARG A 114 -8.996 12.757 -11.313 1.00 0.00 C ATOM 1845 O ARG A 114 -8.984 12.498 -10.112 1.00 0.00 O ATOM 1846 CB ARG A 114 -7.371 12.910 -13.211 1.00 0.00 C ATOM 1847 CG ARG A 114 -6.473 13.787 -14.072 1.00 0.00 C ATOM 1848 CD ARG A 114 -5.738 12.961 -15.116 1.00 0.00 C ATOM 1849 NE ARG A 114 -4.831 12.004 -14.484 1.00 0.00 N ATOM 1850 CZ ARG A 114 -4.460 10.841 -15.009 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -4.853 10.487 -16.221 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -3.667 10.037 -14.312 1.00 0.00 N ATOM 0 H ARG A 114 -5.986 13.169 -11.149 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.274 14.575 -12.207 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -6.822 12.011 -12.931 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.225 12.589 -13.807 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.072 14.552 -14.565 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.752 14.305 -13.440 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -6.459 12.429 -15.737 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.174 13.621 -15.776 1.00 0.00 H new ATOM 0 HE ARG A 114 -4.453 12.248 -13.568 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -5.449 11.110 -16.766 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.560 9.591 -16.611 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.349 10.314 -13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.376 9.142 -14.705 1.00 0.00 H new ATOM 1866 N GLU A 115 -9.947 12.329 -12.118 1.00 0.00 N ATOM 1867 CA GLU A 115 -10.995 11.445 -11.642 1.00 0.00 C ATOM 1868 C GLU A 115 -10.812 10.065 -12.239 1.00 0.00 C ATOM 1869 O GLU A 115 -10.265 9.934 -13.326 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.372 11.998 -12.003 1.00 0.00 C ATOM 1871 CG GLU A 115 -12.963 12.877 -10.917 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.234 12.096 -9.650 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -12.342 12.040 -8.778 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -14.327 11.512 -9.534 1.00 0.00 O ATOM 0 H GLU A 115 -10.017 12.578 -13.105 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.928 11.377 -10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.296 12.573 -12.926 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.050 11.168 -12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.278 13.697 -10.700 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.891 13.323 -11.275 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.219 9.035 -11.509 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.169 7.668 -12.026 1.00 0.00 C ATOM 1883 C LEU A 116 -11.906 7.566 -13.364 1.00 0.00 C ATOM 1884 O LEU A 116 -11.494 6.827 -14.253 1.00 0.00 O ATOM 1885 CB LEU A 116 -11.757 6.681 -11.011 1.00 0.00 C ATOM 1886 CG LEU A 116 -11.726 5.210 -11.433 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.293 4.733 -11.612 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.450 4.351 -10.411 1.00 0.00 C ATOM 0 H LEU A 116 -11.586 9.116 -10.561 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.124 7.407 -12.191 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.213 6.784 -10.072 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.791 6.963 -10.812 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.239 5.116 -12.390 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.293 3.685 -11.912 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.804 5.331 -12.381 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.753 4.841 -10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.419 3.308 -10.725 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.964 4.452 -9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.488 4.676 -10.332 1.00 0.00 H new ATOM 1900 N ALA A 117 -12.983 8.337 -13.506 1.00 0.00 N ATOM 1901 CA ALA A 117 -13.731 8.399 -14.762 1.00 0.00 C ATOM 1902 C ALA A 117 -12.921 9.077 -15.872 1.00 0.00 C ATOM 1903 O ALA A 117 -13.280 9.005 -17.048 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.049 9.128 -14.553 1.00 0.00 C ATOM 0 H ALA A 117 -13.358 8.929 -12.765 1.00 0.00 H new ATOM 0 HA ALA A 117 -13.932 7.375 -15.078 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -15.596 9.168 -15.495 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -15.644 8.598 -13.809 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -14.853 10.142 -14.205 1.00 0.00 H new ATOM 1910 N LEU A 118 -11.833 9.742 -15.494 1.00 0.00 N ATOM 1911 CA LEU A 118 -10.949 10.388 -16.459 1.00 0.00 C ATOM 1912 C LEU A 118 -9.770 9.482 -16.794 1.00 0.00 C ATOM 1913 O LEU A 118 -9.005 9.754 -17.721 1.00 0.00 O ATOM 1914 CB LEU A 118 -10.422 11.723 -15.920 1.00 0.00 C ATOM 1915 CG LEU A 118 -11.476 12.800 -15.659 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -10.807 14.082 -15.187 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -12.307 13.056 -16.911 1.00 0.00 C ATOM 0 H LEU A 118 -11.542 9.848 -14.522 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.531 10.577 -17.361 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.888 11.532 -14.989 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.695 12.118 -16.630 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.147 12.448 -14.876 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.566 14.842 -15.004 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.258 13.888 -14.265 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -10.117 14.435 -15.953 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.051 13.825 -16.703 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.655 13.390 -17.718 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -12.810 12.136 -17.208 1.00 0.00 H new ATOM 1929 N LEU A 119 -9.616 8.409 -16.030 1.00 0.00 N ATOM 1930 CA LEU A 119 -8.514 7.483 -16.238 1.00 0.00 C ATOM 1931 C LEU A 119 -8.952 6.335 -17.137 1.00 0.00 C ATOM 1932 O LEU A 119 -9.696 5.448 -16.728 1.00 0.00 O ATOM 1933 CB LEU A 119 -7.958 6.971 -14.900 1.00 0.00 C ATOM 1934 CG LEU A 119 -6.883 7.864 -14.259 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.381 9.287 -14.081 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -6.432 7.301 -12.921 1.00 0.00 C ATOM 0 H LEU A 119 -10.240 8.160 -15.262 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.705 8.016 -16.739 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.785 6.862 -14.198 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.538 5.977 -15.055 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.030 7.880 -14.937 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.597 9.892 -13.625 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.644 9.705 -15.053 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.260 9.287 -13.437 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.672 7.952 -12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.285 7.242 -12.245 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.016 6.304 -13.067 1.00 0.00 H new ATOM 1948 N VAL A 120 -8.494 6.397 -18.378 1.00 0.00 N ATOM 1949 CA VAL A 120 -8.859 5.438 -19.407 1.00 0.00 C ATOM 1950 C VAL A 120 -7.592 4.704 -19.878 1.00 0.00 C ATOM 1951 O VAL A 120 -6.558 4.753 -19.213 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.552 6.163 -20.600 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -10.310 5.191 -21.498 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.496 7.248 -20.096 1.00 0.00 C ATOM 0 H VAL A 120 -7.853 7.121 -18.701 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.564 4.713 -19.000 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.763 6.622 -21.196 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.777 5.740 -22.316 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -9.616 4.455 -21.904 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -11.079 4.683 -20.916 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.969 7.742 -20.945 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -11.262 6.799 -19.464 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -9.933 7.981 -19.518 1.00 0.00 H new ATOM 1964 N SER A 121 -7.671 4.037 -21.015 1.00 0.00 N ATOM 1965 CA SER A 121 -6.563 3.254 -21.539 1.00 0.00 C ATOM 1966 C SER A 121 -5.676 4.094 -22.450 1.00 0.00 C ATOM 1967 O SER A 121 -5.995 5.250 -22.739 1.00 0.00 O ATOM 1968 CB SER A 121 -7.096 2.043 -22.298 1.00 0.00 C ATOM 1969 OG SER A 121 -7.746 1.144 -21.419 1.00 0.00 O ATOM 0 H SER A 121 -8.505 4.022 -21.603 1.00 0.00 H new ATOM 0 HA SER A 121 -5.958 2.916 -20.698 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.792 2.370 -23.071 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.275 1.535 -22.803 1.00 0.00 H new ATOM 0 HG SER A 121 -7.090 0.758 -20.802 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.541 3.514 -22.854 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.629 4.151 -23.799 1.00 0.00 C ATOM 1977 C ALA A 122 -4.396 4.706 -24.993 1.00 0.00 C ATOM 1978 O ALA A 122 -4.226 5.869 -25.365 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.573 3.158 -24.257 1.00 0.00 C ATOM 0 H ALA A 122 -4.233 2.595 -22.535 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.132 4.982 -23.298 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.898 3.644 -24.962 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.006 2.806 -23.395 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.057 2.311 -24.743 1.00 0.00 H new