USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 717 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 32 THR OG1 : rot 159:sc= 0.207 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -0.454 K(o=-0.25,f=-2.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 35:sc= 1.23 USER MOD Single : A 35 SER OG : rot 180:sc= -0.348 USER MOD Single : A 38 GLN : amide:sc= -0.0807 X(o=-0.081,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0091 USER MOD Single : A 57 THR OG1 : rot 91:sc= -1.91 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0272 USER MOD Single : A 71 THR OG1 : rot -99:sc= -0.405 USER MOD Single : A 74 SER OG : rot 180:sc= -0.004 USER MOD Single : A 78 MET CE :methyl -108:sc= -6.78! (180deg=-10.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 133:sc= -2.19! (180deg=-4.98!) USER MOD Single : A 83 SER OG : rot 82:sc= 0.717 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -37:sc= 1.04 USER MOD Single : A 86 TYR OH : rot 15:sc= -3.48! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.057) USER MOD Single : A 93 GLN : amide:sc= -0.265 K(o=-0.26,f=-1.3!) USER MOD Single : A 95 ASN : amide:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.73) USER MOD Single : A 103 GLN : amide:sc= -0.57 K(o=-0.57,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.474 8.017 -2.879 1.00 0.00 N ATOM 201 CA LEU A 17 0.809 6.610 -3.022 1.00 0.00 C ATOM 202 C LEU A 17 -0.264 5.918 -3.865 1.00 0.00 C ATOM 203 O LEU A 17 -1.442 6.263 -3.782 1.00 0.00 O ATOM 204 CB LEU A 17 1.022 5.968 -1.650 1.00 0.00 C ATOM 205 CG LEU A 17 0.939 4.441 -1.604 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.329 3.813 -1.729 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.208 3.969 -0.346 1.00 0.00 C ATOM 0 HA LEU A 17 1.755 6.495 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.001 6.270 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.280 6.373 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 17 0.355 4.105 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.242 2.727 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.779 4.110 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.958 4.154 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.163 2.880 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.743 4.316 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.804 4.374 -0.340 1.00 0.00 H new ATOM 219 N VAL A 18 0.182 4.955 -4.658 1.00 0.00 N ATOM 220 CA VAL A 18 -0.726 4.211 -5.516 1.00 0.00 C ATOM 221 C VAL A 18 -0.562 2.714 -5.247 1.00 0.00 C ATOM 222 O VAL A 18 0.450 2.120 -5.617 1.00 0.00 O ATOM 223 CB VAL A 18 -0.487 4.586 -6.980 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.435 3.819 -7.903 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.621 6.096 -7.188 1.00 0.00 C ATOM 0 H VAL A 18 1.160 4.672 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.761 4.470 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 18 0.534 4.302 -7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.245 4.104 -8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.270 2.748 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.467 4.058 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.446 6.336 -8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.624 6.415 -6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.112 6.615 -6.570 1.00 0.00 H new ATOM 235 N ILE A 19 -1.573 2.146 -4.606 1.00 0.00 N ATOM 236 CA ILE A 19 -1.554 0.730 -4.284 1.00 0.00 C ATOM 237 C ILE A 19 -2.364 -0.038 -5.331 1.00 0.00 C ATOM 238 O ILE A 19 -3.534 0.265 -5.561 1.00 0.00 O ATOM 239 CB ILE A 19 -2.031 0.500 -2.849 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.057 1.116 -1.842 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.267 -0.988 -2.581 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.696 1.224 -0.456 1.00 0.00 C ATOM 0 H ILE A 19 -2.411 2.641 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.535 0.345 -4.323 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.988 1.006 -2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.155 0.507 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.752 2.105 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.605 -1.123 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.026 -1.365 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.337 -1.537 -2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.983 1.665 0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.584 1.854 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.977 0.231 -0.107 1.00 0.00 H new ATOM 254 N ARG A 20 -1.710 -1.017 -5.938 1.00 0.00 N ATOM 255 CA ARG A 20 -2.354 -1.830 -6.955 1.00 0.00 C ATOM 256 C ARG A 20 -2.750 -3.189 -6.376 1.00 0.00 C ATOM 257 O ARG A 20 -1.934 -4.108 -6.325 1.00 0.00 O ATOM 258 CB ARG A 20 -1.430 -2.045 -8.156 1.00 0.00 C ATOM 259 CG ARG A 20 -1.979 -3.132 -9.082 1.00 0.00 C ATOM 260 CD ARG A 20 -1.004 -3.421 -10.226 1.00 0.00 C ATOM 261 NE ARG A 20 -0.697 -4.868 -10.276 1.00 0.00 N ATOM 262 CZ ARG A 20 0.026 -5.449 -11.243 1.00 0.00 C ATOM 263 NH1 ARG A 20 0.521 -4.710 -12.245 1.00 0.00 N ATOM 264 NH2 ARG A 20 0.255 -6.769 -11.207 1.00 0.00 N ATOM 0 H ARG A 20 -0.740 -1.266 -5.745 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.246 -1.299 -7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.323 -1.112 -8.709 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.436 -2.326 -7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.158 -4.044 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.940 -2.817 -9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.437 -3.100 -11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.086 -2.851 -10.085 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.058 -5.460 -9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.347 -3.705 -12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.071 -5.152 -12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.121 -7.331 -10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.805 -7.211 -11.943 1.00 0.00 H new ATOM 278 N ILE A 21 -4.003 -3.274 -5.953 1.00 0.00 N ATOM 279 CA ILE A 21 -4.517 -4.506 -5.379 1.00 0.00 C ATOM 280 C ILE A 21 -4.597 -5.577 -6.468 1.00 0.00 C ATOM 281 O ILE A 21 -5.161 -5.342 -7.535 1.00 0.00 O ATOM 282 CB ILE A 21 -5.848 -4.251 -4.668 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.653 -3.357 -3.443 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.540 -5.568 -4.312 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.922 -1.890 -3.786 1.00 0.00 C ATOM 0 H ILE A 21 -4.677 -2.510 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.839 -4.881 -4.612 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.505 -3.717 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.323 -3.676 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.636 -3.466 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.483 -5.359 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.733 -6.135 -5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.897 -6.150 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.776 -1.276 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.234 -1.567 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.948 -1.781 -4.138 1.00 0.00 H new ATOM 297 N LYS A 22 -4.023 -6.732 -6.162 1.00 0.00 N ATOM 298 CA LYS A 22 -4.022 -7.840 -7.102 1.00 0.00 C ATOM 299 C LYS A 22 -5.438 -8.406 -7.217 1.00 0.00 C ATOM 300 O LYS A 22 -6.093 -8.661 -6.207 1.00 0.00 O ATOM 301 CB LYS A 22 -2.974 -8.880 -6.702 1.00 0.00 C ATOM 302 CG LYS A 22 -2.922 -10.024 -7.716 1.00 0.00 C ATOM 303 CD LYS A 22 -2.533 -9.510 -9.104 1.00 0.00 C ATOM 304 CE LYS A 22 -1.498 -10.427 -9.758 1.00 0.00 C ATOM 305 NZ LYS A 22 -2.155 -11.360 -10.701 1.00 0.00 N ATOM 0 H LYS A 22 -3.555 -6.924 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.734 -7.497 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.995 -8.406 -6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.208 -9.276 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.202 -10.774 -7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.894 -10.515 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.420 -9.449 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.130 -8.501 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.756 -9.829 -10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.966 -10.990 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.438 -11.975 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.846 -11.943 -10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.642 -10.818 -11.443 1.00 0.00 H new ATOM 319 N ILE A 23 -5.870 -8.587 -8.456 1.00 0.00 N ATOM 320 CA ILE A 23 -7.197 -9.119 -8.717 1.00 0.00 C ATOM 321 C ILE A 23 -7.070 -10.499 -9.366 1.00 0.00 C ATOM 322 O ILE A 23 -6.191 -10.719 -10.198 1.00 0.00 O ATOM 323 CB ILE A 23 -8.020 -8.126 -9.539 1.00 0.00 C ATOM 324 CG1 ILE A 23 -7.903 -6.711 -8.967 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.477 -8.581 -9.649 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.056 -6.411 -8.007 1.00 0.00 C ATOM 0 H ILE A 23 -5.324 -8.375 -9.291 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.744 -9.255 -7.784 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.613 -8.099 -10.550 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.953 -6.604 -8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.904 -5.985 -9.780 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.041 -7.858 -10.238 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.518 -9.556 -10.135 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.912 -8.654 -8.652 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.949 -5.400 -7.615 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.004 -6.496 -8.539 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.038 -7.124 -7.183 1.00 0.00 H new ATOM 338 N PRO A 24 -7.984 -11.416 -8.951 1.00 0.00 N ATOM 339 CA PRO A 24 -7.983 -12.768 -9.483 1.00 0.00 C ATOM 340 C PRO A 24 -8.548 -12.798 -10.904 1.00 0.00 C ATOM 341 O PRO A 24 -9.625 -12.263 -11.160 1.00 0.00 O ATOM 342 CB PRO A 24 -8.810 -13.579 -8.498 1.00 0.00 C ATOM 343 CG PRO A 24 -9.626 -12.569 -7.708 1.00 0.00 C ATOM 344 CD PRO A 24 -9.040 -11.190 -7.967 1.00 0.00 C ATOM 0 HA PRO A 24 -6.979 -13.183 -9.576 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.459 -14.283 -9.019 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.169 -14.164 -7.839 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.672 -12.602 -8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.596 -12.803 -6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.796 -10.503 -8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.642 -10.750 -7.052 1.00 0.00 H new ATOM 352 N ASN A 25 -7.794 -13.430 -11.793 1.00 0.00 N ATOM 353 CA ASN A 25 -8.206 -13.537 -13.182 1.00 0.00 C ATOM 354 C ASN A 25 -8.833 -12.214 -13.627 1.00 0.00 C ATOM 355 O ASN A 25 -9.942 -12.196 -14.159 1.00 0.00 O ATOM 356 CB ASN A 25 -9.250 -14.640 -13.364 1.00 0.00 C ATOM 357 CG ASN A 25 -8.583 -16.009 -13.505 1.00 0.00 C ATOM 358 OD1 ASN A 25 -8.142 -16.616 -12.543 1.00 0.00 O ATOM 359 ND2 ASN A 25 -8.533 -16.460 -14.756 1.00 0.00 N ATOM 0 H ASN A 25 -6.901 -13.873 -11.578 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.324 -13.774 -13.778 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.928 -14.648 -12.511 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.853 -14.433 -14.248 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.106 -17.365 -14.955 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.921 -15.901 -15.516 1.00 0.00 H new ATOM 366 N SER A 26 -8.096 -11.138 -13.392 1.00 0.00 N ATOM 367 CA SER A 26 -8.566 -9.814 -13.762 1.00 0.00 C ATOM 368 C SER A 26 -7.510 -8.765 -13.407 1.00 0.00 C ATOM 369 O SER A 26 -6.790 -8.914 -12.421 1.00 0.00 O ATOM 370 CB SER A 26 -9.892 -9.487 -13.072 1.00 0.00 C ATOM 371 OG SER A 26 -11.014 -9.881 -13.858 1.00 0.00 O ATOM 0 H SER A 26 -7.177 -11.156 -12.950 1.00 0.00 H new ATOM 0 HA SER A 26 -8.735 -9.800 -14.839 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.932 -9.990 -12.106 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.944 -8.416 -12.876 1.00 0.00 H new ATOM 0 HG SER A 26 -10.798 -10.701 -14.349 1.00 0.00 H new ATOM 377 N GLY A 27 -7.451 -7.728 -14.229 1.00 0.00 N ATOM 378 CA GLY A 27 -6.495 -6.656 -14.014 1.00 0.00 C ATOM 379 C GLY A 27 -6.510 -6.193 -12.555 1.00 0.00 C ATOM 380 O GLY A 27 -7.511 -6.353 -11.859 1.00 0.00 O ATOM 0 H GLY A 27 -8.050 -7.607 -15.046 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.495 -6.997 -14.281 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.731 -5.817 -14.668 1.00 0.00 H new ATOM 384 N ALA A 28 -5.387 -5.628 -12.136 1.00 0.00 N ATOM 385 CA ALA A 28 -5.258 -5.141 -10.773 1.00 0.00 C ATOM 386 C ALA A 28 -5.759 -3.697 -10.702 1.00 0.00 C ATOM 387 O ALA A 28 -5.510 -2.905 -11.610 1.00 0.00 O ATOM 388 CB ALA A 28 -3.803 -5.277 -10.318 1.00 0.00 C ATOM 0 H ALA A 28 -4.558 -5.497 -12.716 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.869 -5.735 -10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.706 -4.912 -9.296 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.505 -6.325 -10.359 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.160 -4.691 -10.975 1.00 0.00 H new ATOM 394 N VAL A 29 -6.455 -3.399 -9.616 1.00 0.00 N ATOM 395 CA VAL A 29 -6.993 -2.064 -9.415 1.00 0.00 C ATOM 396 C VAL A 29 -6.006 -1.240 -8.586 1.00 0.00 C ATOM 397 O VAL A 29 -5.317 -1.778 -7.720 1.00 0.00 O ATOM 398 CB VAL A 29 -8.382 -2.150 -8.778 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.794 -0.805 -8.177 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.420 -2.639 -9.791 1.00 0.00 C ATOM 0 H VAL A 29 -6.659 -4.059 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.119 -1.555 -10.371 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.335 -2.878 -7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.785 -0.894 -7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.076 -0.514 -7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.816 -0.048 -8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.398 -2.691 -9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.463 -1.946 -10.631 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.139 -3.629 -10.151 1.00 0.00 H new ATOM 410 N ASP A 30 -5.969 0.051 -8.880 1.00 0.00 N ATOM 411 CA ASP A 30 -5.077 0.954 -8.172 1.00 0.00 C ATOM 412 C ASP A 30 -5.899 1.856 -7.250 1.00 0.00 C ATOM 413 O ASP A 30 -6.775 2.587 -7.710 1.00 0.00 O ATOM 414 CB ASP A 30 -4.311 1.849 -9.149 1.00 0.00 C ATOM 415 CG ASP A 30 -5.068 3.093 -9.616 1.00 0.00 C ATOM 416 OD1 ASP A 30 -5.890 2.942 -10.545 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.808 4.168 -9.033 1.00 0.00 O ATOM 0 H ASP A 30 -6.542 0.493 -9.599 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.369 0.352 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.381 2.164 -8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.040 1.258 -10.024 1.00 0.00 H new ATOM 422 N TRP A 31 -5.587 1.776 -5.965 1.00 0.00 N ATOM 423 CA TRP A 31 -6.286 2.576 -4.973 1.00 0.00 C ATOM 424 C TRP A 31 -5.521 3.890 -4.802 1.00 0.00 C ATOM 425 O TRP A 31 -4.458 3.917 -4.184 1.00 0.00 O ATOM 426 CB TRP A 31 -6.451 1.805 -3.663 1.00 0.00 C ATOM 427 CG TRP A 31 -6.852 2.678 -2.472 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.649 3.755 -2.471 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.439 2.504 -1.100 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.780 4.286 -1.203 1.00 0.00 N ATOM 431 CE2 TRP A 31 -7.020 3.501 -0.344 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.601 1.537 -0.518 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.827 3.627 1.037 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.418 1.676 0.863 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.997 2.674 1.639 1.00 0.00 C ATOM 0 H TRP A 31 -4.859 1.169 -5.587 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.299 2.803 -5.305 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.205 1.030 -3.802 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.514 1.300 -3.430 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.129 4.157 -3.351 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.333 5.103 -0.945 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.135 0.749 -1.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.293 4.417 1.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.783 0.958 1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.807 2.714 2.701 1.00 0.00 H new ATOM 446 N THR A 32 -6.092 4.948 -5.359 1.00 0.00 N ATOM 447 CA THR A 32 -5.477 6.261 -5.276 1.00 0.00 C ATOM 448 C THR A 32 -5.335 6.692 -3.814 1.00 0.00 C ATOM 449 O THR A 32 -6.298 7.151 -3.203 1.00 0.00 O ATOM 450 CB THR A 32 -6.313 7.229 -6.116 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.902 8.519 -5.671 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.802 7.172 -5.767 1.00 0.00 C ATOM 0 H THR A 32 -6.975 4.922 -5.870 1.00 0.00 H new ATOM 0 HA THR A 32 -4.464 6.249 -5.679 1.00 0.00 H new ATOM 0 HB THR A 32 -6.179 7.001 -7.173 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.118 9.186 -6.356 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.349 7.878 -6.392 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.179 6.164 -5.943 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.940 7.433 -4.718 1.00 0.00 H new ATOM 460 N VAL A 33 -4.127 6.527 -3.297 1.00 0.00 N ATOM 461 CA VAL A 33 -3.846 6.893 -1.919 1.00 0.00 C ATOM 462 C VAL A 33 -3.025 8.184 -1.895 1.00 0.00 C ATOM 463 O VAL A 33 -1.993 8.279 -2.558 1.00 0.00 O ATOM 464 CB VAL A 33 -3.157 5.732 -1.200 1.00 0.00 C ATOM 465 CG1 VAL A 33 -3.025 6.016 0.298 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.899 4.417 -1.445 1.00 0.00 C ATOM 0 H VAL A 33 -3.331 6.145 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.773 7.088 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.153 5.632 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.532 5.175 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.433 6.919 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.016 6.156 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.388 3.608 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.920 4.501 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.918 4.204 -2.514 1.00 0.00 H new ATOM 476 N HIS A 34 -3.514 9.144 -1.125 1.00 0.00 N ATOM 477 CA HIS A 34 -2.838 10.425 -1.006 1.00 0.00 C ATOM 478 C HIS A 34 -2.080 10.484 0.322 1.00 0.00 C ATOM 479 O HIS A 34 -1.016 11.096 0.407 1.00 0.00 O ATOM 480 CB HIS A 34 -3.827 11.579 -1.177 1.00 0.00 C ATOM 481 CG HIS A 34 -4.593 11.544 -2.477 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.730 12.651 -3.297 1.00 0.00 N ATOM 483 CD2 HIS A 34 -5.262 10.526 -3.091 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.450 12.303 -4.353 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.779 10.985 -4.223 1.00 0.00 N ATOM 0 H HIS A 34 -4.370 9.061 -0.577 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.106 10.530 -1.807 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.536 11.562 -0.349 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.284 12.522 -1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.355 9.517 -2.718 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.728 12.949 -5.173 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.331 10.442 -4.887 1.00 0.00 H new ATOM 493 N SER A 35 -2.659 9.841 1.325 1.00 0.00 N ATOM 494 CA SER A 35 -2.052 9.813 2.645 1.00 0.00 C ATOM 495 C SER A 35 -1.122 8.604 2.768 1.00 0.00 C ATOM 496 O SER A 35 -1.201 7.851 3.737 1.00 0.00 O ATOM 497 CB SER A 35 -3.119 9.775 3.741 1.00 0.00 C ATOM 498 OG SER A 35 -3.398 11.073 4.259 1.00 0.00 O ATOM 0 H SER A 35 -3.542 9.335 1.250 1.00 0.00 H new ATOM 0 HA SER A 35 -1.470 10.726 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.035 9.340 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.785 9.126 4.550 1.00 0.00 H new ATOM 0 HG SER A 35 -4.085 11.007 4.955 1.00 0.00 H new ATOM 504 N GLY A 36 -0.261 8.456 1.772 1.00 0.00 N ATOM 505 CA GLY A 36 0.683 7.352 1.756 1.00 0.00 C ATOM 506 C GLY A 36 1.258 7.103 3.151 1.00 0.00 C ATOM 507 O GLY A 36 1.239 5.975 3.643 1.00 0.00 O ATOM 0 H GLY A 36 -0.197 9.083 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.187 6.450 1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.492 7.570 1.059 1.00 0.00 H new ATOM 511 N PRO A 37 1.770 8.202 3.767 1.00 0.00 N ATOM 512 CA PRO A 37 2.350 8.114 5.096 1.00 0.00 C ATOM 513 C PRO A 37 1.260 7.982 6.162 1.00 0.00 C ATOM 514 O PRO A 37 1.392 7.191 7.095 1.00 0.00 O ATOM 515 CB PRO A 37 3.180 9.378 5.248 1.00 0.00 C ATOM 516 CG PRO A 37 2.666 10.343 4.192 1.00 0.00 C ATOM 517 CD PRO A 37 1.810 9.553 3.216 1.00 0.00 C ATOM 0 HA PRO A 37 2.971 7.228 5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.071 9.799 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.240 9.169 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.082 11.139 4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.498 10.818 3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.809 9.977 3.134 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.242 9.560 2.215 1.00 0.00 H new ATOM 525 N GLN A 38 0.208 8.768 5.988 1.00 0.00 N ATOM 526 CA GLN A 38 -0.903 8.749 6.923 1.00 0.00 C ATOM 527 C GLN A 38 -1.898 7.650 6.543 1.00 0.00 C ATOM 528 O GLN A 38 -3.092 7.910 6.406 1.00 0.00 O ATOM 529 CB GLN A 38 -1.591 10.114 6.984 1.00 0.00 C ATOM 530 CG GLN A 38 -2.425 10.251 8.260 1.00 0.00 C ATOM 531 CD GLN A 38 -2.937 11.683 8.429 1.00 0.00 C ATOM 532 OE1 GLN A 38 -4.128 11.947 8.442 1.00 0.00 O ATOM 533 NE2 GLN A 38 -1.973 12.591 8.559 1.00 0.00 N ATOM 0 H GLN A 38 0.102 9.422 5.213 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.513 8.531 7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.842 10.905 6.948 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.231 10.242 6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.268 9.561 8.223 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.822 9.972 9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.995 12.303 8.539 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.212 13.575 8.678 1.00 0.00 H new ATOM 542 N LEU A 39 -1.368 6.447 6.383 1.00 0.00 N ATOM 543 CA LEU A 39 -2.195 5.308 6.022 1.00 0.00 C ATOM 544 C LEU A 39 -2.094 4.242 7.115 1.00 0.00 C ATOM 545 O LEU A 39 -1.022 4.025 7.678 1.00 0.00 O ATOM 546 CB LEU A 39 -1.822 4.796 4.628 1.00 0.00 C ATOM 547 CG LEU A 39 -2.738 3.719 4.043 1.00 0.00 C ATOM 548 CD1 LEU A 39 -4.116 4.293 3.709 1.00 0.00 C ATOM 549 CD2 LEU A 39 -2.088 3.048 2.831 1.00 0.00 C ATOM 0 H LEU A 39 -0.377 6.236 6.497 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.243 5.603 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.807 5.644 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.807 4.400 4.667 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.886 2.948 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.747 3.507 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.575 4.687 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.009 5.095 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.759 2.286 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.892 3.796 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.149 2.583 3.132 1.00 0.00 H new ATOM 561 N LEU A 40 -3.225 3.606 7.383 1.00 0.00 N ATOM 562 CA LEU A 40 -3.277 2.569 8.400 1.00 0.00 C ATOM 563 C LEU A 40 -3.629 1.234 7.741 1.00 0.00 C ATOM 564 O LEU A 40 -4.211 1.206 6.658 1.00 0.00 O ATOM 565 CB LEU A 40 -4.232 2.970 9.526 1.00 0.00 C ATOM 566 CG LEU A 40 -3.853 4.228 10.311 1.00 0.00 C ATOM 567 CD1 LEU A 40 -5.057 4.780 11.076 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.661 3.961 11.232 1.00 0.00 C ATOM 0 H LEU A 40 -4.112 3.789 6.914 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.301 2.446 8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.224 3.117 9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.307 2.138 10.226 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.545 4.995 9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.761 5.674 11.625 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.850 5.033 10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.419 4.027 11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.412 4.871 11.778 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.917 3.172 11.939 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.803 3.650 10.636 1.00 0.00 H new ATOM 580 N PHE A 41 -3.262 0.159 8.424 1.00 0.00 N ATOM 581 CA PHE A 41 -3.532 -1.177 7.919 1.00 0.00 C ATOM 582 C PHE A 41 -5.023 -1.363 7.632 1.00 0.00 C ATOM 583 O PHE A 41 -5.396 -1.896 6.587 1.00 0.00 O ATOM 584 CB PHE A 41 -3.108 -2.162 9.010 1.00 0.00 C ATOM 585 CG PHE A 41 -3.375 -3.627 8.664 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.795 -4.184 7.567 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.194 -4.375 9.452 1.00 0.00 C ATOM 588 CE1 PHE A 41 -3.043 -5.544 7.245 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.442 -5.735 9.130 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.861 -6.291 8.034 1.00 0.00 C ATOM 0 H PHE A 41 -2.780 0.186 9.323 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.987 -1.341 6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.044 -2.034 9.207 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.634 -1.915 9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.145 -3.591 6.940 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.656 -3.934 10.323 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.582 -5.985 6.374 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.092 -6.328 9.756 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.049 -7.326 7.790 1.00 0.00 H new ATOM 600 N ARG A 42 -5.836 -0.914 8.577 1.00 0.00 N ATOM 601 CA ARG A 42 -7.278 -1.025 8.438 1.00 0.00 C ATOM 602 C ARG A 42 -7.736 -0.387 7.125 1.00 0.00 C ATOM 603 O ARG A 42 -8.336 -1.053 6.283 1.00 0.00 O ATOM 604 CB ARG A 42 -7.997 -0.346 9.605 1.00 0.00 C ATOM 605 CG ARG A 42 -8.628 -1.381 10.538 1.00 0.00 C ATOM 606 CD ARG A 42 -7.567 -2.325 11.107 1.00 0.00 C ATOM 607 NE ARG A 42 -8.111 -3.053 12.275 1.00 0.00 N ATOM 608 CZ ARG A 42 -8.372 -2.485 13.460 1.00 0.00 C ATOM 609 NH1 ARG A 42 -8.140 -1.178 13.642 1.00 0.00 N ATOM 610 NH2 ARG A 42 -8.865 -3.224 14.464 1.00 0.00 N ATOM 0 H ARG A 42 -5.523 -0.473 9.442 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.530 -2.085 8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.291 0.269 10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.769 0.322 9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.144 -0.874 11.353 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.378 -1.956 9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.251 -3.034 10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.684 -1.758 11.401 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.299 -4.050 12.171 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.765 -0.615 12.878 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.339 -0.746 14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.041 -4.219 14.326 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.064 -2.791 15.366 1.00 0.00 H new ATOM 624 N ASP A 43 -7.434 0.896 6.991 1.00 0.00 N ATOM 625 CA ASP A 43 -7.807 1.632 5.795 1.00 0.00 C ATOM 626 C ASP A 43 -7.675 0.716 4.576 1.00 0.00 C ATOM 627 O ASP A 43 -8.585 0.639 3.752 1.00 0.00 O ATOM 628 CB ASP A 43 -6.890 2.837 5.581 1.00 0.00 C ATOM 629 CG ASP A 43 -7.405 4.154 6.166 1.00 0.00 C ATOM 630 OD1 ASP A 43 -8.400 4.670 5.612 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.793 4.614 7.154 1.00 0.00 O ATOM 0 H ASP A 43 -6.935 1.445 7.691 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.833 1.977 5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.917 2.617 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.733 2.969 4.511 1.00 0.00 H new ATOM 636 N VAL A 44 -6.535 0.044 4.501 1.00 0.00 N ATOM 637 CA VAL A 44 -6.273 -0.864 3.397 1.00 0.00 C ATOM 638 C VAL A 44 -7.402 -1.893 3.310 1.00 0.00 C ATOM 639 O VAL A 44 -8.012 -2.062 2.255 1.00 0.00 O ATOM 640 CB VAL A 44 -4.893 -1.503 3.563 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.613 -2.502 2.438 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.799 -0.435 3.632 1.00 0.00 C ATOM 0 H VAL A 44 -5.783 0.110 5.187 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.254 -0.322 2.452 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.888 -2.050 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.626 -2.942 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.367 -3.289 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.647 -1.987 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.828 -0.916 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.804 0.151 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.984 0.221 4.482 1.00 0.00 H new ATOM 652 N LEU A 45 -7.645 -2.554 4.432 1.00 0.00 N ATOM 653 CA LEU A 45 -8.690 -3.562 4.495 1.00 0.00 C ATOM 654 C LEU A 45 -10.035 -2.918 4.151 1.00 0.00 C ATOM 655 O LEU A 45 -10.845 -3.508 3.438 1.00 0.00 O ATOM 656 CB LEU A 45 -8.674 -4.266 5.853 1.00 0.00 C ATOM 657 CG LEU A 45 -7.462 -5.157 6.132 1.00 0.00 C ATOM 658 CD1 LEU A 45 -7.067 -5.952 4.885 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.294 -4.338 6.683 1.00 0.00 C ATOM 0 H LEU A 45 -7.136 -2.411 5.305 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.512 -4.343 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.730 -3.508 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.574 -4.875 5.935 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.739 -5.879 6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.203 -6.577 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.901 -6.583 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.816 -5.263 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.446 -4.996 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.008 -3.577 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.594 -3.856 7.613 1.00 0.00 H new ATOM 671 N ASP A 46 -10.231 -1.717 4.676 1.00 0.00 N ATOM 672 CA ASP A 46 -11.464 -0.987 4.434 1.00 0.00 C ATOM 673 C ASP A 46 -11.604 -0.715 2.935 1.00 0.00 C ATOM 674 O ASP A 46 -12.715 -0.553 2.431 1.00 0.00 O ATOM 675 CB ASP A 46 -11.459 0.359 5.161 1.00 0.00 C ATOM 676 CG ASP A 46 -12.111 0.348 6.545 1.00 0.00 C ATOM 677 OD1 ASP A 46 -12.936 -0.561 6.777 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.770 1.251 7.340 1.00 0.00 O ATOM 0 H ASP A 46 -9.557 -1.231 5.268 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.292 -1.592 4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.427 0.695 5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.973 1.093 4.540 1.00 0.00 H new ATOM 683 N VAL A 47 -10.463 -0.672 2.264 1.00 0.00 N ATOM 684 CA VAL A 47 -10.444 -0.421 0.833 1.00 0.00 C ATOM 685 C VAL A 47 -10.611 -1.746 0.086 1.00 0.00 C ATOM 686 O VAL A 47 -11.562 -1.919 -0.674 1.00 0.00 O ATOM 687 CB VAL A 47 -9.165 0.325 0.449 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.965 0.326 -1.068 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.176 1.752 1.002 1.00 0.00 C ATOM 0 H VAL A 47 -9.544 -0.807 2.685 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.277 0.222 0.547 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.322 -0.202 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.049 0.863 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.891 -0.701 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.813 0.817 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.256 2.261 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.031 2.293 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.249 1.720 2.089 1.00 0.00 H new ATOM 699 N ILE A 48 -9.670 -2.647 0.328 1.00 0.00 N ATOM 700 CA ILE A 48 -9.701 -3.951 -0.313 1.00 0.00 C ATOM 701 C ILE A 48 -11.127 -4.502 -0.270 1.00 0.00 C ATOM 702 O ILE A 48 -11.626 -5.022 -1.268 1.00 0.00 O ATOM 703 CB ILE A 48 -8.663 -4.882 0.317 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.256 -4.557 -0.189 1.00 0.00 C ATOM 705 CG2 ILE A 48 -9.030 -6.349 0.085 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.200 -5.367 0.566 1.00 0.00 C ATOM 0 H ILE A 48 -8.882 -2.500 0.959 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.423 -3.866 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.664 -4.716 1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.191 -4.773 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.059 -3.492 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.276 -6.989 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.002 -6.556 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.074 -6.548 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.209 -5.117 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.252 -5.131 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.386 -6.431 0.421 1.00 0.00 H new ATOM 718 N GLY A 49 -11.744 -4.370 0.895 1.00 0.00 N ATOM 719 CA GLY A 49 -13.103 -4.849 1.081 1.00 0.00 C ATOM 720 C GLY A 49 -13.998 -4.423 -0.085 1.00 0.00 C ATOM 721 O GLY A 49 -14.933 -5.136 -0.447 1.00 0.00 O ATOM 0 H GLY A 49 -11.328 -3.938 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.101 -5.936 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.506 -4.458 2.015 1.00 0.00 H new ATOM 725 N GLN A 50 -13.681 -3.262 -0.639 1.00 0.00 N ATOM 726 CA GLN A 50 -14.445 -2.733 -1.756 1.00 0.00 C ATOM 727 C GLN A 50 -14.003 -3.395 -3.063 1.00 0.00 C ATOM 728 O GLN A 50 -14.809 -3.579 -3.974 1.00 0.00 O ATOM 729 CB GLN A 50 -14.312 -1.211 -1.840 1.00 0.00 C ATOM 730 CG GLN A 50 -14.659 -0.556 -0.502 1.00 0.00 C ATOM 731 CD GLN A 50 -15.686 0.563 -0.689 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.836 0.336 -1.026 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.207 1.781 -0.454 1.00 0.00 N ATOM 0 H GLN A 50 -12.906 -2.673 -0.335 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.498 -2.964 -1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.294 -0.947 -2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.971 -0.827 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.054 -1.306 0.183 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.755 -0.152 -0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.233 1.901 -0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.813 2.595 -0.553 1.00 0.00 H new ATOM 742 N VAL A 51 -12.723 -3.735 -3.113 1.00 0.00 N ATOM 743 CA VAL A 51 -12.164 -4.372 -4.293 1.00 0.00 C ATOM 744 C VAL A 51 -12.593 -5.841 -4.326 1.00 0.00 C ATOM 745 O VAL A 51 -13.142 -6.309 -5.322 1.00 0.00 O ATOM 746 CB VAL A 51 -10.645 -4.193 -4.314 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.047 -4.730 -5.617 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.263 -2.727 -4.100 1.00 0.00 C ATOM 0 H VAL A 51 -12.058 -3.581 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.546 -3.901 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.228 -4.772 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.966 -4.590 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.275 -5.792 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.474 -4.191 -6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.178 -2.627 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.698 -2.118 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.641 -2.390 -3.135 1.00 0.00 H new ATOM 758 N LEU A 52 -12.326 -6.527 -3.224 1.00 0.00 N ATOM 759 CA LEU A 52 -12.677 -7.932 -3.114 1.00 0.00 C ATOM 760 C LEU A 52 -13.619 -8.127 -1.924 1.00 0.00 C ATOM 761 O LEU A 52 -13.195 -8.573 -0.859 1.00 0.00 O ATOM 762 CB LEU A 52 -11.416 -8.796 -3.048 1.00 0.00 C ATOM 763 CG LEU A 52 -10.651 -8.968 -4.362 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.902 -7.686 -4.732 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.718 -10.179 -4.299 1.00 0.00 C ATOM 0 H LEU A 52 -11.871 -6.135 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.215 -8.261 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.740 -8.362 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.695 -9.784 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.374 -9.159 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.367 -7.835 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.614 -6.869 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.191 -7.440 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.186 -10.278 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.999 -10.043 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.303 -11.080 -4.115 1.00 0.00 H new ATOM 777 N PRO A 53 -14.912 -7.773 -2.150 1.00 0.00 N ATOM 778 CA PRO A 53 -15.917 -7.904 -1.109 1.00 0.00 C ATOM 779 C PRO A 53 -16.316 -9.368 -0.913 1.00 0.00 C ATOM 780 O PRO A 53 -16.858 -9.733 0.129 1.00 0.00 O ATOM 781 CB PRO A 53 -17.074 -7.030 -1.567 1.00 0.00 C ATOM 782 CG PRO A 53 -16.868 -6.813 -3.057 1.00 0.00 C ATOM 783 CD PRO A 53 -15.450 -7.241 -3.399 1.00 0.00 C ATOM 0 HA PRO A 53 -15.555 -7.583 -0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.031 -7.514 -1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.082 -6.081 -1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.591 -7.393 -3.631 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.023 -5.765 -3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.443 -7.995 -4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.858 -6.399 -3.758 1.00 0.00 H new ATOM 791 N GLU A 54 -16.031 -10.167 -1.931 1.00 0.00 N ATOM 792 CA GLU A 54 -16.353 -11.583 -1.883 1.00 0.00 C ATOM 793 C GLU A 54 -15.142 -12.387 -1.404 1.00 0.00 C ATOM 794 O GLU A 54 -15.254 -13.581 -1.129 1.00 0.00 O ATOM 795 CB GLU A 54 -16.837 -12.082 -3.246 1.00 0.00 C ATOM 796 CG GLU A 54 -16.540 -13.572 -3.422 1.00 0.00 C ATOM 797 CD GLU A 54 -17.320 -14.410 -2.407 1.00 0.00 C ATOM 798 OE1 GLU A 54 -18.213 -13.827 -1.756 1.00 0.00 O ATOM 799 OE2 GLU A 54 -17.004 -15.615 -2.304 1.00 0.00 O ATOM 0 H GLU A 54 -15.581 -9.861 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.165 -11.727 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -17.909 -11.908 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -16.350 -11.514 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -16.803 -13.882 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -15.471 -13.750 -3.302 1.00 0.00 H new ATOM 806 N ALA A 55 -14.012 -11.700 -1.318 1.00 0.00 N ATOM 807 CA ALA A 55 -12.782 -12.335 -0.876 1.00 0.00 C ATOM 808 C ALA A 55 -12.149 -11.493 0.233 1.00 0.00 C ATOM 809 O ALA A 55 -11.634 -10.406 -0.025 1.00 0.00 O ATOM 810 CB ALA A 55 -11.847 -12.523 -2.072 1.00 0.00 C ATOM 0 H ALA A 55 -13.923 -10.710 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.986 -13.323 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.924 -12.999 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.333 -13.152 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.617 -11.552 -2.510 1.00 0.00 H new ATOM 816 N THR A 56 -12.207 -12.027 1.444 1.00 0.00 N ATOM 817 CA THR A 56 -11.645 -11.339 2.594 1.00 0.00 C ATOM 818 C THR A 56 -10.148 -11.098 2.392 1.00 0.00 C ATOM 819 O THR A 56 -9.590 -11.466 1.359 1.00 0.00 O ATOM 820 CB THR A 56 -11.966 -12.163 3.842 1.00 0.00 C ATOM 821 OG1 THR A 56 -12.021 -11.200 4.890 1.00 0.00 O ATOM 822 CG2 THR A 56 -10.814 -13.087 4.245 1.00 0.00 C ATOM 0 H THR A 56 -12.635 -12.929 1.654 1.00 0.00 H new ATOM 0 HA THR A 56 -12.087 -10.350 2.718 1.00 0.00 H new ATOM 0 HB THR A 56 -12.863 -12.756 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.226 -11.649 5.736 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.093 -13.649 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.601 -13.780 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.926 -12.491 4.455 1.00 0.00 H new ATOM 830 N THR A 57 -9.540 -10.482 3.395 1.00 0.00 N ATOM 831 CA THR A 57 -8.118 -10.189 3.341 1.00 0.00 C ATOM 832 C THR A 57 -7.504 -10.263 4.741 1.00 0.00 C ATOM 833 O THR A 57 -6.870 -11.257 5.092 1.00 0.00 O ATOM 834 CB THR A 57 -7.942 -8.824 2.672 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.632 -8.953 1.432 1.00 0.00 O ATOM 836 CG2 THR A 57 -6.492 -8.554 2.265 1.00 0.00 C ATOM 0 H THR A 57 -10.006 -10.178 4.250 1.00 0.00 H new ATOM 0 HA THR A 57 -7.584 -10.930 2.747 1.00 0.00 H new ATOM 0 HB THR A 57 -8.280 -8.041 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.564 -8.672 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.423 -7.573 1.795 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.855 -8.579 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.164 -9.318 1.560 1.00 0.00 H new ATOM 844 N THR A 58 -7.714 -9.199 5.501 1.00 0.00 N ATOM 845 CA THR A 58 -7.190 -9.131 6.854 1.00 0.00 C ATOM 846 C THR A 58 -5.660 -9.131 6.834 1.00 0.00 C ATOM 847 O THR A 58 -5.022 -9.304 7.871 1.00 0.00 O ATOM 848 CB THR A 58 -7.787 -10.292 7.652 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.184 -10.215 7.383 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.686 -10.077 9.163 1.00 0.00 C ATOM 0 H THR A 58 -8.240 -8.377 5.205 1.00 0.00 H new ATOM 0 HA THR A 58 -7.478 -8.200 7.343 1.00 0.00 H new ATOM 0 HB THR A 58 -7.278 -11.217 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.649 -10.934 7.860 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.124 -10.930 9.682 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.638 -9.978 9.447 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.224 -9.170 9.438 1.00 0.00 H new ATOM 858 N ALA A 59 -5.116 -8.935 5.642 1.00 0.00 N ATOM 859 CA ALA A 59 -3.673 -8.911 5.473 1.00 0.00 C ATOM 860 C ALA A 59 -3.335 -9.068 3.989 1.00 0.00 C ATOM 861 O ALA A 59 -4.113 -9.641 3.229 1.00 0.00 O ATOM 862 CB ALA A 59 -3.039 -10.005 6.334 1.00 0.00 C ATOM 0 H ALA A 59 -5.648 -8.791 4.784 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.264 -7.957 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.957 -9.987 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.284 -9.831 7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.424 -10.978 6.028 1.00 0.00 H new ATOM 868 N PHE A 60 -2.173 -8.548 3.621 1.00 0.00 N ATOM 869 CA PHE A 60 -1.722 -8.623 2.242 1.00 0.00 C ATOM 870 C PHE A 60 -0.209 -8.837 2.170 1.00 0.00 C ATOM 871 O PHE A 60 0.465 -8.878 3.198 1.00 0.00 O ATOM 872 CB PHE A 60 -2.068 -7.286 1.584 1.00 0.00 C ATOM 873 CG PHE A 60 -1.899 -6.077 2.507 1.00 0.00 C ATOM 874 CD1 PHE A 60 -2.881 -5.752 3.390 1.00 0.00 C ATOM 875 CD2 PHE A 60 -0.766 -5.327 2.443 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.723 -4.630 4.246 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.609 -4.205 3.299 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.590 -3.880 4.182 1.00 0.00 C ATOM 0 H PHE A 60 -1.530 -8.073 4.254 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.204 -9.461 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.437 -7.151 0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.099 -7.321 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.781 -6.347 3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.014 -5.585 1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.502 -4.372 4.948 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.291 -3.609 3.248 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.470 -3.026 4.833 1.00 0.00 H new ATOM 888 N GLU A 61 0.281 -8.967 0.946 1.00 0.00 N ATOM 889 CA GLU A 61 1.702 -9.175 0.727 1.00 0.00 C ATOM 890 C GLU A 61 2.236 -8.163 -0.290 1.00 0.00 C ATOM 891 O GLU A 61 1.480 -7.640 -1.107 1.00 0.00 O ATOM 892 CB GLU A 61 1.983 -10.609 0.273 1.00 0.00 C ATOM 893 CG GLU A 61 1.628 -11.611 1.373 1.00 0.00 C ATOM 894 CD GLU A 61 2.486 -12.873 1.262 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.058 -13.076 0.170 1.00 0.00 O ATOM 896 OE2 GLU A 61 2.551 -13.605 2.273 1.00 0.00 O ATOM 0 H GLU A 61 -0.281 -8.932 0.096 1.00 0.00 H new ATOM 0 HA GLU A 61 2.222 -9.020 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.406 -10.830 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.036 -10.711 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.776 -11.151 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.573 -11.876 1.302 1.00 0.00 H new ATOM 903 N TYR A 62 3.535 -7.918 -0.206 1.00 0.00 N ATOM 904 CA TYR A 62 4.179 -6.979 -1.109 1.00 0.00 C ATOM 905 C TYR A 62 5.631 -7.382 -1.375 1.00 0.00 C ATOM 906 O TYR A 62 6.409 -7.569 -0.441 1.00 0.00 O ATOM 907 CB TYR A 62 4.161 -5.627 -0.393 1.00 0.00 C ATOM 908 CG TYR A 62 5.369 -5.387 0.515 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.592 -5.062 -0.035 1.00 0.00 C ATOM 910 CD2 TYR A 62 5.235 -5.495 1.884 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.729 -4.836 0.819 1.00 0.00 C ATOM 912 CE2 TYR A 62 6.372 -5.270 2.739 1.00 0.00 C ATOM 913 CZ TYR A 62 7.563 -4.951 2.164 1.00 0.00 C ATOM 914 OH TYR A 62 8.636 -4.738 2.971 1.00 0.00 O ATOM 0 H TYR A 62 4.159 -8.353 0.473 1.00 0.00 H new ATOM 0 HA TYR A 62 3.662 -6.952 -2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.117 -4.833 -1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.251 -5.555 0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.696 -4.977 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.277 -5.748 2.314 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.692 -4.581 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.281 -5.353 3.812 1.00 0.00 H new ATOM 0 HH TYR A 62 8.369 -4.853 3.907 1.00 0.00 H new ATOM 924 N GLU A 63 5.953 -7.504 -2.655 1.00 0.00 N ATOM 925 CA GLU A 63 7.297 -7.881 -3.056 1.00 0.00 C ATOM 926 C GLU A 63 8.321 -6.913 -2.459 1.00 0.00 C ATOM 927 O GLU A 63 8.166 -5.697 -2.565 1.00 0.00 O ATOM 928 CB GLU A 63 7.419 -7.937 -4.580 1.00 0.00 C ATOM 929 CG GLU A 63 7.492 -9.384 -5.072 1.00 0.00 C ATOM 930 CD GLU A 63 7.593 -9.440 -6.597 1.00 0.00 C ATOM 931 OE1 GLU A 63 7.949 -8.394 -7.181 1.00 0.00 O ATOM 932 OE2 GLU A 63 7.313 -10.528 -7.145 1.00 0.00 O ATOM 0 H GLU A 63 5.305 -7.348 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 63 7.503 -8.880 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.564 -7.437 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.311 -7.396 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.356 -9.880 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.608 -9.929 -4.742 1.00 0.00 H new ATOM 939 N ASP A 64 9.344 -7.489 -1.845 1.00 0.00 N ATOM 940 CA ASP A 64 10.392 -6.692 -1.231 1.00 0.00 C ATOM 941 C ASP A 64 11.585 -6.603 -2.185 1.00 0.00 C ATOM 942 O ASP A 64 11.503 -7.047 -3.329 1.00 0.00 O ATOM 943 CB ASP A 64 10.877 -7.330 0.073 1.00 0.00 C ATOM 944 CG ASP A 64 11.345 -8.781 -0.052 1.00 0.00 C ATOM 945 OD1 ASP A 64 10.495 -9.622 -0.417 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.542 -9.016 0.220 1.00 0.00 O ATOM 0 H ASP A 64 9.469 -8.498 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 64 9.983 -5.704 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.698 -6.732 0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.069 -7.286 0.804 1.00 0.00 H new ATOM 951 N GLU A 65 12.665 -6.027 -1.680 1.00 0.00 N ATOM 952 CA GLU A 65 13.873 -5.875 -2.473 1.00 0.00 C ATOM 953 C GLU A 65 14.296 -7.223 -3.059 1.00 0.00 C ATOM 954 O GLU A 65 14.568 -7.326 -4.255 1.00 0.00 O ATOM 955 CB GLU A 65 15.001 -5.259 -1.643 1.00 0.00 C ATOM 956 CG GLU A 65 14.782 -3.757 -1.450 1.00 0.00 C ATOM 957 CD GLU A 65 16.093 -3.054 -1.089 1.00 0.00 C ATOM 958 OE1 GLU A 65 16.756 -3.539 -0.147 1.00 0.00 O ATOM 959 OE2 GLU A 65 16.402 -2.049 -1.765 1.00 0.00 O ATOM 0 H GLU A 65 12.729 -5.659 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 65 13.660 -5.194 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.053 -5.750 -0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.957 -5.430 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.373 -3.325 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.047 -3.591 -0.662 1.00 0.00 H new ATOM 966 N ASP A 66 14.340 -8.222 -2.191 1.00 0.00 N ATOM 967 CA ASP A 66 14.726 -9.560 -2.607 1.00 0.00 C ATOM 968 C ASP A 66 13.585 -10.188 -3.410 1.00 0.00 C ATOM 969 O ASP A 66 13.793 -11.162 -4.132 1.00 0.00 O ATOM 970 CB ASP A 66 15.002 -10.455 -1.398 1.00 0.00 C ATOM 971 CG ASP A 66 15.973 -9.871 -0.369 1.00 0.00 C ATOM 972 OD1 ASP A 66 15.488 -9.129 0.512 1.00 0.00 O ATOM 973 OD2 ASP A 66 17.179 -10.180 -0.488 1.00 0.00 O ATOM 0 H ASP A 66 14.115 -8.132 -1.200 1.00 0.00 H new ATOM 0 HA ASP A 66 15.631 -9.478 -3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.056 -10.671 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.400 -11.406 -1.752 1.00 0.00 H new ATOM 978 N GLY A 67 12.405 -9.606 -3.257 1.00 0.00 N ATOM 979 CA GLY A 67 11.231 -10.097 -3.958 1.00 0.00 C ATOM 980 C GLY A 67 10.792 -11.455 -3.408 1.00 0.00 C ATOM 981 O GLY A 67 10.792 -12.451 -4.130 1.00 0.00 O ATOM 0 H GLY A 67 12.237 -8.798 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.417 -9.380 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.449 -10.185 -5.022 1.00 0.00 H new ATOM 985 N ASP A 68 10.428 -11.452 -2.134 1.00 0.00 N ATOM 986 CA ASP A 68 9.987 -12.671 -1.478 1.00 0.00 C ATOM 987 C ASP A 68 8.534 -12.507 -1.029 1.00 0.00 C ATOM 988 O ASP A 68 7.965 -13.408 -0.414 1.00 0.00 O ATOM 989 CB ASP A 68 10.835 -12.968 -0.239 1.00 0.00 C ATOM 990 CG ASP A 68 11.031 -14.453 0.069 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.942 -15.046 -0.548 1.00 0.00 O ATOM 992 OD2 ASP A 68 10.266 -14.963 0.916 1.00 0.00 O ATOM 0 H ASP A 68 10.430 -10.624 -1.538 1.00 0.00 H new ATOM 0 HA ASP A 68 10.088 -13.491 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.814 -12.507 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.370 -12.492 0.624 1.00 0.00 H new ATOM 997 N ARG A 69 7.975 -11.350 -1.352 1.00 0.00 N ATOM 998 CA ARG A 69 6.599 -11.056 -0.990 1.00 0.00 C ATOM 999 C ARG A 69 6.435 -11.077 0.531 1.00 0.00 C ATOM 1000 O ARG A 69 6.319 -12.144 1.133 1.00 0.00 O ATOM 1001 CB ARG A 69 5.637 -12.069 -1.613 1.00 0.00 C ATOM 1002 CG ARG A 69 5.805 -12.122 -3.133 1.00 0.00 C ATOM 1003 CD ARG A 69 4.797 -11.205 -3.828 1.00 0.00 C ATOM 1004 NE ARG A 69 4.828 -11.435 -5.290 1.00 0.00 N ATOM 1005 CZ ARG A 69 4.799 -10.457 -6.205 1.00 0.00 C ATOM 1006 NH1 ARG A 69 4.738 -9.176 -5.816 1.00 0.00 N ATOM 1007 NH2 ARG A 69 4.830 -10.760 -7.510 1.00 0.00 N ATOM 0 H ARG A 69 8.450 -10.605 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 69 6.361 -10.063 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.818 -13.057 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.610 -11.800 -1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.819 -11.824 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.671 -13.146 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.795 -11.394 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.031 -10.163 -3.610 1.00 0.00 H new ATOM 0 HE ARG A 69 4.874 -12.399 -5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.714 -8.945 -4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.716 -8.432 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.876 -11.735 -7.806 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.808 -10.016 -8.207 1.00 0.00 H new ATOM 1021 N ILE A 70 6.432 -9.885 1.110 1.00 0.00 N ATOM 1022 CA ILE A 70 6.284 -9.753 2.550 1.00 0.00 C ATOM 1023 C ILE A 70 4.814 -9.944 2.927 1.00 0.00 C ATOM 1024 O ILE A 70 3.968 -10.152 2.058 1.00 0.00 O ATOM 1025 CB ILE A 70 6.874 -8.425 3.029 1.00 0.00 C ATOM 1026 CG1 ILE A 70 8.116 -8.052 2.217 1.00 0.00 C ATOM 1027 CG2 ILE A 70 7.163 -8.464 4.531 1.00 0.00 C ATOM 1028 CD1 ILE A 70 9.062 -9.247 2.081 1.00 0.00 C ATOM 0 H ILE A 70 6.530 -9.002 0.608 1.00 0.00 H new ATOM 0 HA ILE A 70 6.849 -10.531 3.064 1.00 0.00 H new ATOM 0 HB ILE A 70 6.133 -7.643 2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.817 -7.706 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.636 -7.225 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.582 -7.508 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.237 -8.651 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.876 -9.260 4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.936 -8.955 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.378 -9.575 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.546 -10.063 1.575 1.00 0.00 H new ATOM 1040 N THR A 71 4.554 -9.866 4.224 1.00 0.00 N ATOM 1041 CA THR A 71 3.200 -10.028 4.727 1.00 0.00 C ATOM 1042 C THR A 71 2.866 -8.917 5.725 1.00 0.00 C ATOM 1043 O THR A 71 3.628 -8.665 6.656 1.00 0.00 O ATOM 1044 CB THR A 71 3.080 -11.433 5.319 1.00 0.00 C ATOM 1045 OG1 THR A 71 3.184 -12.296 4.189 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.685 -11.717 5.878 1.00 0.00 C ATOM 0 H THR A 71 5.258 -9.693 4.942 1.00 0.00 H new ATOM 0 HA THR A 71 2.467 -9.934 3.926 1.00 0.00 H new ATOM 0 HB THR A 71 3.819 -11.557 6.110 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.288 -12.578 3.909 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.655 -12.727 6.286 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.456 -11.001 6.667 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.948 -11.626 5.080 1.00 0.00 H new ATOM 1054 N VAL A 72 1.725 -8.284 5.496 1.00 0.00 N ATOM 1055 CA VAL A 72 1.280 -7.206 6.363 1.00 0.00 C ATOM 1056 C VAL A 72 0.023 -7.649 7.116 1.00 0.00 C ATOM 1057 O VAL A 72 -1.044 -7.787 6.521 1.00 0.00 O ATOM 1058 CB VAL A 72 1.069 -5.930 5.546 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.662 -4.763 6.448 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.320 -5.585 4.735 1.00 0.00 C ATOM 0 H VAL A 72 1.095 -8.497 4.723 1.00 0.00 H new ATOM 0 HA VAL A 72 2.042 -6.976 7.108 1.00 0.00 H new ATOM 0 HB VAL A 72 0.255 -6.112 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.518 -3.868 5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.268 -5.007 6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.446 -4.581 7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.143 -4.674 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.161 -5.432 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.548 -6.403 4.052 1.00 0.00 H new ATOM 1070 N ARG A 73 0.192 -7.858 8.413 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.915 -8.282 9.253 1.00 0.00 C ATOM 1072 C ARG A 73 -1.289 -7.173 10.239 1.00 0.00 C ATOM 1073 O ARG A 73 -2.437 -7.081 10.669 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.561 -9.550 10.033 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.720 -10.795 9.157 1.00 0.00 C ATOM 1076 CD ARG A 73 -1.305 -11.959 9.959 1.00 0.00 C ATOM 1077 NE ARG A 73 -2.683 -12.245 9.503 1.00 0.00 N ATOM 1078 CZ ARG A 73 -2.994 -12.668 8.270 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -2.026 -12.855 7.362 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -4.273 -12.903 7.945 1.00 0.00 N ATOM 0 H ARG A 73 1.079 -7.742 8.903 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.762 -8.495 8.601 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.465 -9.484 10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.203 -9.633 10.910 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.370 -10.569 8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.248 -11.082 8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.682 -12.845 9.837 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.308 -11.715 11.021 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.444 -12.112 10.169 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.053 -12.675 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.262 -13.177 6.423 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.009 -12.760 8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.510 -13.225 7.007 1.00 0.00 H new ATOM 1094 N SER A 74 -0.297 -6.359 10.567 1.00 0.00 N ATOM 1095 CA SER A 74 -0.507 -5.260 11.494 1.00 0.00 C ATOM 1096 C SER A 74 0.101 -3.975 10.929 1.00 0.00 C ATOM 1097 O SER A 74 0.837 -4.013 9.944 1.00 0.00 O ATOM 1098 CB SER A 74 0.095 -5.573 12.865 1.00 0.00 C ATOM 1099 OG SER A 74 -0.374 -4.679 13.871 1.00 0.00 O ATOM 0 H SER A 74 0.654 -6.438 10.208 1.00 0.00 H new ATOM 0 HA SER A 74 -1.581 -5.121 11.621 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.154 -6.597 13.145 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.182 -5.514 12.806 1.00 0.00 H new ATOM 0 HG SER A 74 0.032 -4.913 14.732 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.229 -2.867 11.576 1.00 0.00 N ATOM 1106 CA ASP A 75 0.276 -1.573 11.150 1.00 0.00 C ATOM 1107 C ASP A 75 1.806 -1.602 11.146 1.00 0.00 C ATOM 1108 O ASP A 75 2.441 -0.923 10.342 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.174 -0.465 12.104 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.688 -0.279 12.213 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.393 -1.308 12.127 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -2.107 0.887 12.379 1.00 0.00 O ATOM 0 H ASP A 75 -0.840 -2.839 12.392 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.115 -1.371 10.153 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.223 -0.678 13.097 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.270 0.476 11.779 1.00 0.00 H new ATOM 1117 N GLU A 76 2.352 -2.396 12.055 1.00 0.00 N ATOM 1118 CA GLU A 76 3.795 -2.523 12.167 1.00 0.00 C ATOM 1119 C GLU A 76 4.399 -2.925 10.820 1.00 0.00 C ATOM 1120 O GLU A 76 5.376 -2.328 10.371 1.00 0.00 O ATOM 1121 CB GLU A 76 4.174 -3.526 13.259 1.00 0.00 C ATOM 1122 CG GLU A 76 4.769 -2.813 14.476 1.00 0.00 C ATOM 1123 CD GLU A 76 3.729 -2.667 15.588 1.00 0.00 C ATOM 1124 OE1 GLU A 76 2.650 -2.112 15.287 1.00 0.00 O ATOM 1125 OE2 GLU A 76 4.036 -3.113 16.715 1.00 0.00 O ATOM 0 H GLU A 76 1.821 -2.958 12.721 1.00 0.00 H new ATOM 0 HA GLU A 76 4.204 -1.554 12.452 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.292 -4.092 13.560 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.894 -4.243 12.865 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.627 -3.374 14.847 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.134 -1.829 14.183 1.00 0.00 H new ATOM 1132 N GLU A 77 3.792 -3.935 10.214 1.00 0.00 N ATOM 1133 CA GLU A 77 4.258 -4.424 8.927 1.00 0.00 C ATOM 1134 C GLU A 77 3.980 -3.390 7.834 1.00 0.00 C ATOM 1135 O GLU A 77 4.778 -3.225 6.914 1.00 0.00 O ATOM 1136 CB GLU A 77 3.613 -5.769 8.586 1.00 0.00 C ATOM 1137 CG GLU A 77 4.260 -6.905 9.382 1.00 0.00 C ATOM 1138 CD GLU A 77 3.207 -7.900 9.873 1.00 0.00 C ATOM 1139 OE1 GLU A 77 2.593 -7.605 10.921 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.039 -8.932 9.188 1.00 0.00 O ATOM 0 H GLU A 77 2.982 -4.428 10.590 1.00 0.00 H new ATOM 0 HA GLU A 77 5.335 -4.579 8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.546 -5.730 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.714 -5.965 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.990 -7.421 8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.802 -6.494 10.234 1.00 0.00 H new ATOM 1147 N MET A 78 2.844 -2.721 7.972 1.00 0.00 N ATOM 1148 CA MET A 78 2.451 -1.708 7.008 1.00 0.00 C ATOM 1149 C MET A 78 3.542 -0.646 6.852 1.00 0.00 C ATOM 1150 O MET A 78 4.143 -0.521 5.786 1.00 0.00 O ATOM 1151 CB MET A 78 1.153 -1.041 7.468 1.00 0.00 C ATOM 1152 CG MET A 78 0.048 -1.212 6.423 1.00 0.00 C ATOM 1153 SD MET A 78 -0.056 0.247 5.400 1.00 0.00 S ATOM 1154 CE MET A 78 -0.954 1.331 6.498 1.00 0.00 C ATOM 0 H MET A 78 2.184 -2.861 8.737 1.00 0.00 H new ATOM 0 HA MET A 78 2.300 -2.192 6.043 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.833 -1.475 8.415 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.329 0.020 7.647 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.253 -2.086 5.805 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.907 -1.388 6.917 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.972 1.460 6.130 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.982 0.895 7.497 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.457 2.300 6.539 1.00 0.00 H new ATOM 1164 N LYS A 79 3.764 0.091 7.930 1.00 0.00 N ATOM 1165 CA LYS A 79 4.772 1.137 7.927 1.00 0.00 C ATOM 1166 C LYS A 79 6.051 0.605 7.277 1.00 0.00 C ATOM 1167 O LYS A 79 6.806 1.364 6.670 1.00 0.00 O ATOM 1168 CB LYS A 79 4.982 1.684 9.340 1.00 0.00 C ATOM 1169 CG LYS A 79 3.923 2.733 9.685 1.00 0.00 C ATOM 1170 CD LYS A 79 4.451 3.725 10.724 1.00 0.00 C ATOM 1171 CE LYS A 79 3.559 3.743 11.967 1.00 0.00 C ATOM 1172 NZ LYS A 79 4.061 4.729 12.950 1.00 0.00 N ATOM 0 H LYS A 79 3.263 -0.016 8.812 1.00 0.00 H new ATOM 0 HA LYS A 79 4.439 1.985 7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.938 0.867 10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.975 2.125 9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.629 3.269 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.030 2.240 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.469 3.455 11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.495 4.724 10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.536 3.991 11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.534 2.751 12.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.445 4.729 13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.029 4.475 13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.062 5.677 12.521 1.00 0.00 H new ATOM 1186 N ALA A 80 6.256 -0.695 7.426 1.00 0.00 N ATOM 1187 CA ALA A 80 7.430 -1.338 6.862 1.00 0.00 C ATOM 1188 C ALA A 80 7.292 -1.396 5.339 1.00 0.00 C ATOM 1189 O ALA A 80 8.168 -0.925 4.615 1.00 0.00 O ATOM 1190 CB ALA A 80 7.603 -2.724 7.485 1.00 0.00 C ATOM 0 H ALA A 80 5.628 -1.321 7.930 1.00 0.00 H new ATOM 0 HA ALA A 80 8.328 -0.764 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.484 -3.206 7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.727 -2.625 8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.722 -3.330 7.275 1.00 0.00 H new ATOM 1196 N MET A 81 6.186 -1.977 4.899 1.00 0.00 N ATOM 1197 CA MET A 81 5.922 -2.103 3.476 1.00 0.00 C ATOM 1198 C MET A 81 6.059 -0.751 2.771 1.00 0.00 C ATOM 1199 O MET A 81 6.601 -0.673 1.670 1.00 0.00 O ATOM 1200 CB MET A 81 4.508 -2.648 3.265 1.00 0.00 C ATOM 1201 CG MET A 81 4.102 -2.562 1.792 1.00 0.00 C ATOM 1202 SD MET A 81 2.425 -3.138 1.587 1.00 0.00 S ATOM 1203 CE MET A 81 1.531 -1.687 2.118 1.00 0.00 C ATOM 0 H MET A 81 5.462 -2.366 5.503 1.00 0.00 H new ATOM 0 HA MET A 81 6.653 -2.790 3.049 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.460 -3.684 3.599 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.802 -2.084 3.874 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.187 -1.533 1.442 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.779 -3.163 1.184 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.740 -1.464 1.402 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.091 -1.869 3.099 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.215 -0.840 2.178 1.00 0.00 H new ATOM 1213 N LEU A 82 5.557 0.279 3.436 1.00 0.00 N ATOM 1214 CA LEU A 82 5.616 1.624 2.887 1.00 0.00 C ATOM 1215 C LEU A 82 7.046 2.154 3.001 1.00 0.00 C ATOM 1216 O LEU A 82 7.474 2.975 2.191 1.00 0.00 O ATOM 1217 CB LEU A 82 4.572 2.521 3.555 1.00 0.00 C ATOM 1218 CG LEU A 82 3.117 2.274 3.151 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.171 2.525 4.327 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.741 3.108 1.924 1.00 0.00 C ATOM 0 H LEU A 82 5.108 0.210 4.349 1.00 0.00 H new ATOM 0 HA LEU A 82 5.363 1.615 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.654 2.398 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.819 3.559 3.333 1.00 0.00 H new ATOM 0 HG LEU A 82 3.012 1.225 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.143 2.342 4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.424 1.854 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.270 3.558 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.702 2.914 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.866 4.167 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.387 2.838 1.089 1.00 0.00 H new ATOM 1232 N SER A 83 7.747 1.662 4.012 1.00 0.00 N ATOM 1233 CA SER A 83 9.121 2.076 4.242 1.00 0.00 C ATOM 1234 C SER A 83 10.018 1.564 3.113 1.00 0.00 C ATOM 1235 O SER A 83 11.125 2.064 2.920 1.00 0.00 O ATOM 1236 CB SER A 83 9.629 1.572 5.594 1.00 0.00 C ATOM 1237 OG SER A 83 9.355 2.495 6.645 1.00 0.00 O ATOM 0 H SER A 83 7.389 0.980 4.681 1.00 0.00 H new ATOM 0 HA SER A 83 9.152 3.165 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.162 0.614 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.703 1.398 5.536 1.00 0.00 H new ATOM 0 HG SER A 83 8.430 2.380 6.948 1.00 0.00 H new ATOM 1243 N TYR A 84 9.506 0.573 2.397 1.00 0.00 N ATOM 1244 CA TYR A 84 10.247 -0.012 1.293 1.00 0.00 C ATOM 1245 C TYR A 84 9.864 0.645 -0.034 1.00 0.00 C ATOM 1246 O TYR A 84 10.733 1.030 -0.814 1.00 0.00 O ATOM 1247 CB TYR A 84 9.846 -1.488 1.252 1.00 0.00 C ATOM 1248 CG TYR A 84 10.059 -2.153 -0.110 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.285 -2.703 -0.425 1.00 0.00 C ATOM 1250 CD2 TYR A 84 9.025 -2.202 -1.022 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.485 -3.328 -1.707 1.00 0.00 C ATOM 1252 CE2 TYR A 84 9.225 -2.828 -2.304 1.00 0.00 C ATOM 1253 CZ TYR A 84 10.445 -3.360 -2.583 1.00 0.00 C ATOM 1254 OH TYR A 84 10.634 -3.951 -3.793 1.00 0.00 O ATOM 0 H TYR A 84 8.587 0.161 2.560 1.00 0.00 H new ATOM 0 HA TYR A 84 11.319 0.127 1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.419 -2.031 2.004 1.00 0.00 H new ATOM 0 HB3 TYR A 84 8.795 -1.576 1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.094 -2.665 0.289 1.00 0.00 H new ATOM 0 HD2 TYR A 84 8.066 -1.771 -0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.439 -3.762 -1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 84 8.424 -2.874 -3.027 1.00 0.00 H new ATOM 0 HH TYR A 84 9.806 -3.901 -4.314 1.00 0.00 H new ATOM 1264 N TYR A 85 8.561 0.754 -0.250 1.00 0.00 N ATOM 1265 CA TYR A 85 8.052 1.358 -1.469 1.00 0.00 C ATOM 1266 C TYR A 85 8.742 2.695 -1.748 1.00 0.00 C ATOM 1267 O TYR A 85 9.199 2.941 -2.863 1.00 0.00 O ATOM 1268 CB TYR A 85 6.562 1.608 -1.226 1.00 0.00 C ATOM 1269 CG TYR A 85 5.800 2.080 -2.465 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.560 1.203 -3.504 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.352 3.383 -2.545 1.00 0.00 C ATOM 1272 CE1 TYR A 85 4.843 1.648 -4.670 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.635 3.828 -3.712 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.415 2.938 -4.717 1.00 0.00 C ATOM 1275 OH TYR A 85 3.738 3.358 -5.819 1.00 0.00 O ATOM 0 H TYR A 85 7.842 0.434 0.399 1.00 0.00 H new ATOM 0 HA TYR A 85 8.233 0.707 -2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.105 0.689 -0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.453 2.354 -0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.910 0.183 -3.442 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.539 4.069 -1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.649 0.972 -5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.280 4.845 -3.788 1.00 0.00 H new ATOM 0 HH TYR A 85 4.120 2.938 -6.618 1.00 0.00 H new ATOM 1285 N TYR A 86 8.796 3.523 -0.716 1.00 0.00 N ATOM 1286 CA TYR A 86 9.423 4.829 -0.836 1.00 0.00 C ATOM 1287 C TYR A 86 10.944 4.699 -0.933 1.00 0.00 C ATOM 1288 O TYR A 86 11.588 5.442 -1.674 1.00 0.00 O ATOM 1289 CB TYR A 86 9.069 5.586 0.446 1.00 0.00 C ATOM 1290 CG TYR A 86 7.568 5.655 0.733 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.666 5.694 -0.311 1.00 0.00 C ATOM 1292 CD2 TYR A 86 7.115 5.677 2.037 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.253 5.759 -0.041 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.702 5.741 2.307 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.841 5.779 1.255 1.00 0.00 C ATOM 1296 OH TYR A 86 3.507 5.840 1.511 1.00 0.00 O ATOM 0 H TYR A 86 8.416 3.316 0.208 1.00 0.00 H new ATOM 0 HA TYR A 86 9.076 5.341 -1.733 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.568 5.107 1.288 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.462 6.600 0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.020 5.676 -1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.820 5.646 2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.537 5.791 -0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.334 5.758 3.322 1.00 0.00 H new ATOM 0 HH TYR A 86 3.007 5.624 0.696 1.00 0.00 H new ATOM 1306 N SER A 87 11.476 3.751 -0.175 1.00 0.00 N ATOM 1307 CA SER A 87 12.909 3.516 -0.167 1.00 0.00 C ATOM 1308 C SER A 87 13.370 3.046 -1.549 1.00 0.00 C ATOM 1309 O SER A 87 14.510 3.289 -1.942 1.00 0.00 O ATOM 1310 CB SER A 87 13.292 2.486 0.898 1.00 0.00 C ATOM 1311 OG SER A 87 14.655 2.084 0.787 1.00 0.00 O ATOM 0 H SER A 87 10.940 3.137 0.438 1.00 0.00 H new ATOM 0 HA SER A 87 13.408 4.454 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.118 2.907 1.888 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.648 1.612 0.805 1.00 0.00 H new ATOM 0 HG SER A 87 14.860 1.428 1.485 1.00 0.00 H new ATOM 1317 N THR A 88 12.461 2.382 -2.246 1.00 0.00 N ATOM 1318 CA THR A 88 12.760 1.876 -3.575 1.00 0.00 C ATOM 1319 C THR A 88 12.265 2.855 -4.642 1.00 0.00 C ATOM 1320 O THR A 88 12.980 3.148 -5.600 1.00 0.00 O ATOM 1321 CB THR A 88 12.145 0.481 -3.699 1.00 0.00 C ATOM 1322 OG1 THR A 88 12.994 -0.192 -4.625 1.00 0.00 O ATOM 1323 CG2 THR A 88 10.781 0.501 -4.392 1.00 0.00 C ATOM 0 H THR A 88 11.517 2.182 -1.916 1.00 0.00 H new ATOM 0 HA THR A 88 13.835 1.788 -3.732 1.00 0.00 H new ATOM 0 HB THR A 88 12.042 0.041 -2.707 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.669 -1.106 -4.763 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.389 -0.514 -4.454 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.091 1.122 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.889 0.910 -5.397 1.00 0.00 H new ATOM 1331 N VAL A 89 11.046 3.333 -4.441 1.00 0.00 N ATOM 1332 CA VAL A 89 10.448 4.273 -5.374 1.00 0.00 C ATOM 1333 C VAL A 89 11.433 5.411 -5.648 1.00 0.00 C ATOM 1334 O VAL A 89 11.642 5.792 -6.798 1.00 0.00 O ATOM 1335 CB VAL A 89 9.103 4.763 -4.833 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.704 6.091 -5.479 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.014 3.707 -5.031 1.00 0.00 C ATOM 0 H VAL A 89 10.456 3.087 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 89 10.242 3.786 -6.327 1.00 0.00 H new ATOM 0 HB VAL A 89 9.214 4.931 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.745 6.417 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.463 6.843 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.620 5.960 -6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.069 4.081 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.905 3.492 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.291 2.795 -4.503 1.00 0.00 H new ATOM 1347 N MET A 90 12.012 5.921 -4.571 1.00 0.00 N ATOM 1348 CA MET A 90 12.970 7.008 -4.680 1.00 0.00 C ATOM 1349 C MET A 90 14.187 6.584 -5.506 1.00 0.00 C ATOM 1350 O MET A 90 14.863 7.424 -6.098 1.00 0.00 O ATOM 1351 CB MET A 90 13.424 7.432 -3.282 1.00 0.00 C ATOM 1352 CG MET A 90 14.486 6.475 -2.737 1.00 0.00 C ATOM 1353 SD MET A 90 14.962 6.967 -1.088 1.00 0.00 S ATOM 1354 CE MET A 90 16.503 6.079 -0.932 1.00 0.00 C ATOM 0 H MET A 90 11.836 5.601 -3.618 1.00 0.00 H new ATOM 0 HA MET A 90 12.486 7.845 -5.183 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.826 8.445 -3.318 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.567 7.452 -2.608 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.097 5.457 -2.724 1.00 0.00 H new ATOM 0 HG3 MET A 90 15.358 6.475 -3.391 1.00 0.00 H new ATOM 0 HE1 MET A 90 16.939 6.276 0.048 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.319 5.010 -1.039 1.00 0.00 H new ATOM 0 HE3 MET A 90 17.193 6.408 -1.709 1.00 0.00 H new ATOM 1364 N GLU A 91 14.430 5.282 -5.518 1.00 0.00 N ATOM 1365 CA GLU A 91 15.554 4.737 -6.260 1.00 0.00 C ATOM 1366 C GLU A 91 15.196 4.604 -7.742 1.00 0.00 C ATOM 1367 O GLU A 91 16.066 4.708 -8.606 1.00 0.00 O ATOM 1368 CB GLU A 91 15.994 3.392 -5.680 1.00 0.00 C ATOM 1369 CG GLU A 91 16.978 3.589 -4.525 1.00 0.00 C ATOM 1370 CD GLU A 91 18.421 3.621 -5.034 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.678 4.419 -5.961 1.00 0.00 O ATOM 1372 OE2 GLU A 91 19.234 2.847 -4.484 1.00 0.00 O ATOM 0 H GLU A 91 13.867 4.588 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 91 16.393 5.426 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.122 2.840 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.459 2.790 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.752 4.519 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.861 2.782 -3.801 1.00 0.00 H new ATOM 1379 N GLN A 92 13.915 4.375 -7.991 1.00 0.00 N ATOM 1380 CA GLN A 92 13.432 4.227 -9.353 1.00 0.00 C ATOM 1381 C GLN A 92 13.491 5.568 -10.087 1.00 0.00 C ATOM 1382 O GLN A 92 13.470 5.609 -11.316 1.00 0.00 O ATOM 1383 CB GLN A 92 12.014 3.653 -9.373 1.00 0.00 C ATOM 1384 CG GLN A 92 12.033 2.136 -9.178 1.00 0.00 C ATOM 1385 CD GLN A 92 11.042 1.450 -10.120 1.00 0.00 C ATOM 1386 OE1 GLN A 92 11.408 0.844 -11.114 1.00 0.00 O ATOM 1387 NE2 GLN A 92 9.770 1.578 -9.753 1.00 0.00 N ATOM 0 H GLN A 92 13.197 4.288 -7.272 1.00 0.00 H new ATOM 0 HA GLN A 92 14.081 3.522 -9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.419 4.117 -8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.533 3.895 -10.321 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.038 1.755 -9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.784 1.895 -8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.533 2.099 -8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.032 1.155 -10.316 1.00 0.00 H new ATOM 1396 N GLN A 93 13.564 6.633 -9.301 1.00 0.00 N ATOM 1397 CA GLN A 93 13.627 7.973 -9.861 1.00 0.00 C ATOM 1398 C GLN A 93 15.079 8.361 -10.147 1.00 0.00 C ATOM 1399 O GLN A 93 15.378 8.922 -11.200 1.00 0.00 O ATOM 1400 CB GLN A 93 12.962 8.987 -8.929 1.00 0.00 C ATOM 1401 CG GLN A 93 11.516 8.588 -8.625 1.00 0.00 C ATOM 1402 CD GLN A 93 10.593 9.808 -8.654 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.807 10.764 -9.382 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.557 9.723 -7.824 1.00 0.00 N ATOM 0 H GLN A 93 13.581 6.595 -8.282 1.00 0.00 H new ATOM 0 HA GLN A 93 13.078 7.979 -10.803 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.527 9.056 -7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.981 9.975 -9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.177 7.853 -9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.465 8.112 -7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.437 8.894 -7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.883 10.487 -7.770 1.00 0.00 H new ATOM 1413 N VAL A 94 15.941 8.047 -9.192 1.00 0.00 N ATOM 1414 CA VAL A 94 17.354 8.356 -9.329 1.00 0.00 C ATOM 1415 C VAL A 94 17.948 7.518 -10.463 1.00 0.00 C ATOM 1416 O VAL A 94 18.876 7.955 -11.143 1.00 0.00 O ATOM 1417 CB VAL A 94 18.068 8.144 -7.992 1.00 0.00 C ATOM 1418 CG1 VAL A 94 17.240 8.701 -6.833 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.393 6.665 -7.773 1.00 0.00 C ATOM 0 H VAL A 94 15.689 7.582 -8.320 1.00 0.00 H new ATOM 0 HA VAL A 94 17.491 9.404 -9.593 1.00 0.00 H new ATOM 0 HB VAL A 94 19.009 8.693 -8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.771 8.537 -5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 94 17.083 9.770 -6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.276 8.194 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.900 6.542 -6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.470 6.086 -7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.041 6.312 -8.575 1.00 0.00 H new ATOM 1429 N ASN A 95 17.388 6.330 -10.634 1.00 0.00 N ATOM 1430 CA ASN A 95 17.850 5.427 -11.674 1.00 0.00 C ATOM 1431 C ASN A 95 17.476 5.999 -13.043 1.00 0.00 C ATOM 1432 O ASN A 95 18.300 6.023 -13.956 1.00 0.00 O ATOM 1433 CB ASN A 95 17.193 4.051 -11.542 1.00 0.00 C ATOM 1434 CG ASN A 95 18.177 3.026 -10.974 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.361 1.944 -11.505 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.798 3.427 -9.868 1.00 0.00 N ATOM 0 H ASN A 95 16.618 5.971 -10.069 1.00 0.00 H new ATOM 0 HA ASN A 95 18.930 5.322 -11.573 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.320 4.121 -10.893 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.838 3.718 -12.517 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.475 2.815 -9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.597 4.347 -9.475 1.00 0.00 H new ATOM 1443 N GLY A 96 16.233 6.447 -13.142 1.00 0.00 N ATOM 1444 CA GLY A 96 15.740 7.017 -14.384 1.00 0.00 C ATOM 1445 C GLY A 96 14.621 6.159 -14.976 1.00 0.00 C ATOM 1446 O GLY A 96 14.433 6.128 -16.191 1.00 0.00 O ATOM 0 H GLY A 96 15.553 6.427 -12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.372 8.027 -14.204 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.558 7.099 -15.100 1.00 0.00 H new ATOM 1450 N GLN A 97 13.906 5.481 -14.089 1.00 0.00 N ATOM 1451 CA GLN A 97 12.810 4.624 -14.509 1.00 0.00 C ATOM 1452 C GLN A 97 11.495 5.103 -13.890 1.00 0.00 C ATOM 1453 O GLN A 97 11.501 5.836 -12.902 1.00 0.00 O ATOM 1454 CB GLN A 97 13.087 3.164 -14.147 1.00 0.00 C ATOM 1455 CG GLN A 97 14.314 2.637 -14.894 1.00 0.00 C ATOM 1456 CD GLN A 97 14.084 1.206 -15.384 1.00 0.00 C ATOM 1457 OE1 GLN A 97 13.012 0.842 -15.840 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.148 0.416 -15.266 1.00 0.00 N ATOM 0 H GLN A 97 14.065 5.508 -13.082 1.00 0.00 H new ATOM 0 HA GLN A 97 12.721 4.684 -15.594 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.246 3.076 -13.072 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.218 2.554 -14.392 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.534 3.285 -15.743 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.184 2.665 -14.238 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.016 0.784 -14.876 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.096 -0.558 -15.566 1.00 0.00 H new ATOM 1467 N LEU A 98 10.400 4.669 -14.496 1.00 0.00 N ATOM 1468 CA LEU A 98 9.081 5.043 -14.017 1.00 0.00 C ATOM 1469 C LEU A 98 8.801 4.328 -12.694 1.00 0.00 C ATOM 1470 O LEU A 98 9.313 3.236 -12.454 1.00 0.00 O ATOM 1471 CB LEU A 98 8.025 4.780 -15.093 1.00 0.00 C ATOM 1472 CG LEU A 98 7.780 5.919 -16.085 1.00 0.00 C ATOM 1473 CD1 LEU A 98 6.992 5.427 -17.300 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.098 7.105 -15.400 1.00 0.00 C ATOM 0 H LEU A 98 10.400 4.061 -15.315 1.00 0.00 H new ATOM 0 HA LEU A 98 9.039 6.114 -13.816 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.320 3.893 -15.654 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.082 4.546 -14.599 1.00 0.00 H new ATOM 0 HG LEU A 98 8.746 6.270 -16.449 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.831 6.256 -17.989 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.553 4.640 -17.803 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.029 5.034 -16.974 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.935 7.901 -16.127 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.140 6.786 -14.990 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.733 7.474 -14.594 1.00 0.00 H new ATOM 1486 N ILE A 99 7.990 4.974 -11.869 1.00 0.00 N ATOM 1487 CA ILE A 99 7.636 4.413 -10.576 1.00 0.00 C ATOM 1488 C ILE A 99 6.511 3.393 -10.758 1.00 0.00 C ATOM 1489 O ILE A 99 5.631 3.577 -11.598 1.00 0.00 O ATOM 1490 CB ILE A 99 7.302 5.527 -9.582 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.412 6.580 -9.545 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.009 4.954 -8.194 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.730 5.970 -9.063 1.00 0.00 C ATOM 0 H ILE A 99 7.568 5.880 -12.071 1.00 0.00 H new ATOM 0 HA ILE A 99 8.484 3.879 -10.147 1.00 0.00 H new ATOM 0 HB ILE A 99 6.395 6.027 -9.922 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.547 7.007 -10.539 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.122 7.397 -8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.775 5.767 -7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.160 4.273 -8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.883 4.413 -7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.502 6.739 -9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.598 5.566 -8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.030 5.170 -9.740 1.00 0.00 H new ATOM 1505 N GLU A 100 6.575 2.340 -9.957 1.00 0.00 N ATOM 1506 CA GLU A 100 5.572 1.290 -10.019 1.00 0.00 C ATOM 1507 C GLU A 100 4.648 1.366 -8.801 1.00 0.00 C ATOM 1508 O GLU A 100 5.055 1.830 -7.737 1.00 0.00 O ATOM 1509 CB GLU A 100 6.226 -0.088 -10.125 1.00 0.00 C ATOM 1510 CG GLU A 100 6.778 -0.540 -8.771 1.00 0.00 C ATOM 1511 CD GLU A 100 8.087 -1.313 -8.942 1.00 0.00 C ATOM 1512 OE1 GLU A 100 8.823 -0.978 -9.895 1.00 0.00 O ATOM 1513 OE2 GLU A 100 8.321 -2.221 -8.116 1.00 0.00 O ATOM 0 H GLU A 100 7.306 2.191 -9.261 1.00 0.00 H new ATOM 0 HA GLU A 100 4.972 1.441 -10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.497 -0.814 -10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.032 -0.056 -10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.945 0.329 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.044 -1.168 -8.267 1.00 0.00 H new ATOM 1520 N PRO A 101 3.390 0.891 -9.004 1.00 0.00 N ATOM 1521 CA PRO A 101 2.405 0.901 -7.935 1.00 0.00 C ATOM 1522 C PRO A 101 2.694 -0.201 -6.913 1.00 0.00 C ATOM 1523 O PRO A 101 3.165 -1.279 -7.274 1.00 0.00 O ATOM 1524 CB PRO A 101 1.066 0.727 -8.633 1.00 0.00 C ATOM 1525 CG PRO A 101 1.383 0.163 -10.008 1.00 0.00 C ATOM 1526 CD PRO A 101 2.874 0.334 -10.250 1.00 0.00 C ATOM 0 HA PRO A 101 2.421 1.825 -7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.419 0.052 -8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.541 1.679 -8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.106 -0.890 -10.062 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.810 0.683 -10.775 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.349 -0.619 -10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.065 1.001 -11.091 1.00 0.00 H new ATOM 1534 N LEU A 102 2.401 0.108 -5.659 1.00 0.00 N ATOM 1535 CA LEU A 102 2.623 -0.843 -4.582 1.00 0.00 C ATOM 1536 C LEU A 102 1.830 -2.120 -4.864 1.00 0.00 C ATOM 1537 O LEU A 102 0.709 -2.277 -4.384 1.00 0.00 O ATOM 1538 CB LEU A 102 2.302 -0.204 -3.229 1.00 0.00 C ATOM 1539 CG LEU A 102 2.627 -1.048 -1.996 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.021 -1.669 -2.108 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.466 -0.230 -0.713 1.00 0.00 C ATOM 0 H LEU A 102 2.012 1.003 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 102 3.675 -1.126 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.848 0.737 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.240 0.041 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 102 1.912 -1.869 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.227 -2.264 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.065 -2.308 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.766 -0.878 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.703 -0.854 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.142 0.625 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.438 0.123 -0.633 1.00 0.00 H new ATOM 1553 N GLN A 103 2.444 -3.000 -5.641 1.00 0.00 N ATOM 1554 CA GLN A 103 1.809 -4.259 -5.992 1.00 0.00 C ATOM 1555 C GLN A 103 1.563 -5.098 -4.736 1.00 0.00 C ATOM 1556 O GLN A 103 2.468 -5.775 -4.251 1.00 0.00 O ATOM 1557 CB GLN A 103 2.649 -5.031 -7.012 1.00 0.00 C ATOM 1558 CG GLN A 103 1.813 -6.107 -7.709 1.00 0.00 C ATOM 1559 CD GLN A 103 2.589 -6.740 -8.865 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.585 -6.218 -9.338 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.079 -7.892 -9.292 1.00 0.00 N ATOM 0 H GLN A 103 3.374 -2.866 -6.037 1.00 0.00 H new ATOM 0 HA GLN A 103 0.846 -4.042 -6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.052 -4.341 -7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.500 -5.494 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.532 -6.877 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.888 -5.668 -8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.242 -8.274 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.525 -8.394 -10.060 1.00 0.00 H new ATOM 1570 N ILE A 104 0.334 -5.026 -4.247 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.042 -5.771 -3.057 1.00 0.00 C ATOM 1572 C ILE A 104 -0.991 -6.905 -3.449 1.00 0.00 C ATOM 1573 O ILE A 104 -1.461 -6.962 -4.584 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.614 -4.830 -1.995 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.959 -4.253 -2.441 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.390 -3.733 -1.636 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.746 -3.710 -1.246 1.00 0.00 C ATOM 0 H ILE A 104 -0.414 -4.464 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 104 0.835 -6.232 -2.603 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.796 -5.408 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.794 -3.455 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.541 -5.025 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.042 -3.078 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.301 -4.187 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.627 -3.151 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.698 -3.306 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.930 -4.516 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.172 -2.921 -0.760 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.244 -7.781 -2.487 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.129 -8.910 -2.718 1.00 0.00 C ATOM 1591 C PHE A 105 -3.001 -9.183 -1.491 1.00 0.00 C ATOM 1592 O PHE A 105 -2.487 -9.368 -0.388 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.240 -10.128 -2.979 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.223 -9.927 -4.103 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.952 -9.290 -3.852 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.493 -10.385 -5.355 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.897 -9.103 -4.896 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.451 -10.198 -6.399 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.626 -9.561 -6.147 1.00 0.00 C ATOM 0 H PHE A 105 -0.852 -7.732 -1.547 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.789 -8.700 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.707 -10.379 -2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.873 -10.981 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.167 -8.926 -2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.426 -10.891 -5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.830 -8.597 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.236 -10.562 -7.393 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.344 -9.419 -6.941 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.339 -9.201 -1.729 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.288 -9.448 -0.657 1.00 0.00 C ATOM 1611 C PRO A 106 -5.303 -10.928 -0.269 1.00 0.00 C ATOM 1612 O PRO A 106 -5.913 -11.747 -0.954 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.624 -8.961 -1.193 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.467 -8.890 -2.703 1.00 0.00 C ATOM 1615 CD PRO A 106 -4.983 -8.986 -3.022 1.00 0.00 C ATOM 0 HA PRO A 106 -5.029 -8.924 0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.428 -9.643 -0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.878 -7.985 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.014 -9.702 -3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.880 -7.957 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.778 -9.808 -3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.621 -8.075 -3.498 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.624 -11.226 0.829 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.551 -12.593 1.317 1.00 0.00 C ATOM 1625 C ARG A 107 -5.933 -13.069 1.768 1.00 0.00 C ATOM 1626 O ARG A 107 -6.375 -12.749 2.871 1.00 0.00 O ATOM 1627 CB ARG A 107 -3.572 -12.709 2.487 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.181 -13.121 1.999 1.00 0.00 C ATOM 1629 CD ARG A 107 -1.405 -13.844 3.101 1.00 0.00 C ATOM 1630 NE ARG A 107 -1.252 -15.275 2.757 1.00 0.00 N ATOM 1631 CZ ARG A 107 -0.584 -15.723 1.685 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -0.003 -14.854 0.847 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -0.496 -17.039 1.452 1.00 0.00 N ATOM 0 H ARG A 107 -4.119 -10.544 1.395 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.196 -13.219 0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.510 -11.755 3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.942 -13.442 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.275 -13.771 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.628 -12.238 1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.424 -13.385 3.228 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.929 -13.744 4.052 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.682 -15.964 3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.069 -13.852 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.506 -15.195 0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.937 -17.701 2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.012 -17.380 0.636 1.00 0.00 H new