USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 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 17 THR OG1 : rot 136:sc= 0.795 USER MOD Set 1.2: A 103 HIS : no HE2:sc= 0.515 K(o=1.3,f=-1.4) USER MOD Set 2.1: A 59 ASN : amide:sc=-0.00321 X(o=-1.9,f=-1.9) USER MOD Set 2.2: A 60 ASN : amide:sc= -1.9! C(o=-1.9!,f=-2.2!) USER MOD Set 3.1: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 44 THR OG1 : rot 68:sc= 0.44 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= -0.191 (180deg=-0.191) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 20:sc= 0.266 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 47 GLN : amide:sc= -0.31 K(o=-0.31,f=-3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 57 SER OG : rot 72:sc= 0.633 USER MOD Single : A 62 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.61) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.39 F(o=-3.2!,f=-1.4) USER MOD Single : A 74 ASN : amide:sc= -0.456 K(o=-0.46,f=-4.6!) USER MOD Single : A 76 THR OG1 : rot 66:sc= 1.18 USER MOD Single : A 80 THR OG1 : rot -50:sc= -0.783 USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0106) USER MOD Single : A 92 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.2) USER MOD Single : A 93 THR OG1 : rot 57:sc= 0.239 USER MOD Single : A 94 SER OG : rot 180:sc=-0.00915 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 98 GLN : amide:sc= -10.8! C(o=-11!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -16.474 -9.234 -2.142 1.00 0.00 N ATOM 183 CA SER A 15 -16.569 -7.785 -2.276 1.00 0.00 C ATOM 184 C SER A 15 -15.199 -7.175 -2.557 1.00 0.00 C ATOM 185 O SER A 15 -14.167 -7.757 -2.223 1.00 0.00 O ATOM 186 CB SER A 15 -17.162 -7.173 -1.005 1.00 0.00 C ATOM 187 OG SER A 15 -18.553 -6.942 -1.152 1.00 0.00 O ATOM 0 HA SER A 15 -17.225 -7.564 -3.118 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.988 -7.840 -0.161 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.656 -6.234 -0.779 1.00 0.00 H new ATOM 0 HG SER A 15 -18.909 -6.552 -0.326 1.00 0.00 H new ATOM 193 N VAL A 16 -15.198 -5.997 -3.173 1.00 0.00 N ATOM 194 CA VAL A 16 -13.957 -5.306 -3.499 1.00 0.00 C ATOM 195 C VAL A 16 -14.079 -3.808 -3.244 1.00 0.00 C ATOM 196 O VAL A 16 -15.180 -3.257 -3.226 1.00 0.00 O ATOM 197 CB VAL A 16 -13.557 -5.534 -4.969 1.00 0.00 C ATOM 198 CG1 VAL A 16 -12.458 -6.582 -5.067 1.00 0.00 C ATOM 199 CG2 VAL A 16 -14.768 -5.941 -5.794 1.00 0.00 C ATOM 0 H VAL A 16 -16.043 -5.502 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.184 -5.720 -2.851 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.170 -4.598 -5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.188 -6.730 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.583 -6.245 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.814 -7.523 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.467 -6.098 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -15.187 -6.864 -5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -15.520 -5.153 -5.750 1.00 0.00 H new ATOM 209 N THR A 17 -12.939 -3.152 -3.046 1.00 0.00 N ATOM 210 CA THR A 17 -12.917 -1.717 -2.791 1.00 0.00 C ATOM 211 C THR A 17 -11.648 -1.079 -3.345 1.00 0.00 C ATOM 212 O THR A 17 -10.552 -1.621 -3.194 1.00 0.00 O ATOM 213 CB THR A 17 -13.016 -1.413 -1.284 1.00 0.00 C ATOM 214 OG1 THR A 17 -14.354 -1.635 -0.826 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.606 0.023 -0.994 1.00 0.00 C ATOM 0 H THR A 17 -12.019 -3.592 -3.057 1.00 0.00 H new ATOM 0 HA THR A 17 -13.784 -1.293 -3.297 1.00 0.00 H new ATOM 0 HB THR A 17 -12.337 -2.082 -0.755 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.332 -2.114 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.684 0.215 0.076 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.577 0.180 -1.317 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.263 0.705 -1.533 1.00 0.00 H new ATOM 223 N LEU A 18 -11.803 0.074 -3.986 1.00 0.00 N ATOM 224 CA LEU A 18 -10.668 0.787 -4.562 1.00 0.00 C ATOM 225 C LEU A 18 -10.551 2.190 -3.975 1.00 0.00 C ATOM 226 O LEU A 18 -11.558 2.846 -3.707 1.00 0.00 O ATOM 227 CB LEU A 18 -10.811 0.868 -6.083 1.00 0.00 C ATOM 228 CG LEU A 18 -9.539 1.211 -6.859 1.00 0.00 C ATOM 229 CD1 LEU A 18 -9.073 0.015 -7.675 1.00 0.00 C ATOM 230 CD2 LEU A 18 -9.772 2.415 -7.760 1.00 0.00 C ATOM 0 H LEU A 18 -12.703 0.535 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.761 0.235 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.186 -0.090 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.569 1.616 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.757 1.464 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.167 0.278 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.865 -0.822 -7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.853 -0.269 -8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.856 2.645 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.569 2.190 -8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.058 3.274 -7.153 1.00 0.00 H new ATOM 242 N ILE A 19 -9.318 2.643 -3.780 1.00 0.00 N ATOM 243 CA ILE A 19 -9.070 3.969 -3.228 1.00 0.00 C ATOM 244 C ILE A 19 -8.174 4.789 -4.150 1.00 0.00 C ATOM 245 O ILE A 19 -7.275 4.253 -4.798 1.00 0.00 O ATOM 246 CB ILE A 19 -8.417 3.886 -1.836 1.00 0.00 C ATOM 247 CG1 ILE A 19 -8.084 2.433 -1.490 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.335 4.490 -0.783 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.699 2.230 -0.042 1.00 0.00 C ATOM 0 H ILE A 19 -8.475 2.111 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.039 4.459 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.489 4.458 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.946 1.807 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.266 2.095 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.859 4.424 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.526 5.536 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.278 3.944 -0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.476 1.177 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.818 2.830 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.524 2.537 0.600 1.00 0.00 H new ATOM 261 N SER A 20 -8.423 6.094 -4.201 1.00 0.00 N ATOM 262 CA SER A 20 -7.641 6.989 -5.045 1.00 0.00 C ATOM 263 C SER A 20 -7.324 8.289 -4.311 1.00 0.00 C ATOM 264 O SER A 20 -8.186 9.154 -4.159 1.00 0.00 O ATOM 265 CB SER A 20 -8.395 7.293 -6.341 1.00 0.00 C ATOM 266 OG SER A 20 -9.668 6.670 -6.348 1.00 0.00 O ATOM 0 H SER A 20 -9.160 6.555 -3.668 1.00 0.00 H new ATOM 0 HA SER A 20 -6.703 6.490 -5.288 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.513 8.371 -6.452 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.812 6.946 -7.194 1.00 0.00 H new ATOM 0 HG SER A 20 -10.131 6.881 -7.186 1.00 0.00 H new ATOM 272 N MET A 21 -6.081 8.418 -3.859 1.00 0.00 N ATOM 273 CA MET A 21 -5.649 9.612 -3.142 1.00 0.00 C ATOM 274 C MET A 21 -4.434 10.241 -3.815 1.00 0.00 C ATOM 275 O MET A 21 -3.582 9.554 -4.380 1.00 0.00 O ATOM 276 CB MET A 21 -5.320 9.268 -1.688 1.00 0.00 C ATOM 277 CG MET A 21 -5.883 7.930 -1.237 1.00 0.00 C ATOM 278 SD MET A 21 -5.198 7.384 0.339 1.00 0.00 S ATOM 279 CE MET A 21 -4.631 5.740 -0.091 1.00 0.00 C ATOM 0 H MET A 21 -5.355 7.711 -3.976 1.00 0.00 H new ATOM 0 HA MET A 21 -6.466 10.333 -3.162 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.237 9.258 -1.562 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.710 10.054 -1.040 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.967 8.007 -1.151 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.676 7.178 -1.999 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.181 5.270 0.783 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.476 5.141 -0.430 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.891 5.807 -0.888 1.00 0.00 H new ATOM 289 N PRO A 22 -4.350 11.578 -3.757 1.00 0.00 N ATOM 290 CA PRO A 22 -3.242 12.329 -4.356 1.00 0.00 C ATOM 291 C PRO A 22 -1.928 12.116 -3.613 1.00 0.00 C ATOM 292 O PRO A 22 -1.904 11.526 -2.533 1.00 0.00 O ATOM 293 CB PRO A 22 -3.695 13.786 -4.235 1.00 0.00 C ATOM 294 CG PRO A 22 -4.637 13.796 -3.081 1.00 0.00 C ATOM 295 CD PRO A 22 -5.329 12.461 -3.100 1.00 0.00 C ATOM 0 HA PRO A 22 -3.043 12.014 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.849 14.450 -4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.184 14.126 -5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.103 13.945 -2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.356 14.610 -3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.567 12.118 -2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.267 12.503 -3.653 1.00 0.00 H new ATOM 303 N ALA A 23 -0.838 12.600 -4.197 1.00 0.00 N ATOM 304 CA ALA A 23 0.480 12.464 -3.589 1.00 0.00 C ATOM 305 C ALA A 23 0.667 13.467 -2.455 1.00 0.00 C ATOM 306 O ALA A 23 -0.257 14.201 -2.103 1.00 0.00 O ATOM 307 CB ALA A 23 1.567 12.642 -4.638 1.00 0.00 C ATOM 0 H ALA A 23 -0.841 13.090 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 23 0.557 11.461 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.546 12.538 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.453 11.883 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.482 13.632 -5.085 1.00 0.00 H new ATOM 391 N ARG A 29 4.155 8.923 3.208 1.00 0.00 N ATOM 392 CA ARG A 29 2.836 8.613 2.669 1.00 0.00 C ATOM 393 C ARG A 29 1.819 8.430 3.791 1.00 0.00 C ATOM 394 O ARG A 29 0.611 8.487 3.563 1.00 0.00 O ATOM 395 CB ARG A 29 2.898 7.348 1.810 1.00 0.00 C ATOM 396 CG ARG A 29 1.621 7.078 1.031 1.00 0.00 C ATOM 397 CD ARG A 29 1.720 7.591 -0.397 1.00 0.00 C ATOM 398 NE ARG A 29 0.439 8.089 -0.890 1.00 0.00 N ATOM 399 CZ ARG A 29 0.282 8.667 -2.076 1.00 0.00 C ATOM 400 NH1 ARG A 29 1.321 8.818 -2.885 1.00 0.00 N ATOM 401 NH2 ARG A 29 -0.916 9.093 -2.454 1.00 0.00 N ATOM 0 HA ARG A 29 2.518 9.451 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.729 7.435 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.110 6.493 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.420 6.007 1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.780 7.556 1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.462 8.388 -0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.071 6.789 -1.047 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.380 7.988 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.243 8.490 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.198 9.262 -3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.718 8.977 -1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.036 9.537 -3.365 1.00 0.00 H new ATOM 415 N GLY A 30 2.316 8.209 5.004 1.00 0.00 N ATOM 416 CA GLY A 30 1.437 8.021 6.143 1.00 0.00 C ATOM 417 C GLY A 30 1.245 6.558 6.492 1.00 0.00 C ATOM 418 O GLY A 30 1.146 6.199 7.665 1.00 0.00 O ATOM 0 H GLY A 30 3.312 8.157 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.847 8.546 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.467 8.470 5.928 1.00 0.00 H new ATOM 422 N PHE A 31 1.192 5.710 5.470 1.00 0.00 N ATOM 423 CA PHE A 31 1.007 4.278 5.673 1.00 0.00 C ATOM 424 C PHE A 31 2.147 3.487 5.038 1.00 0.00 C ATOM 425 O PHE A 31 2.641 3.840 3.967 1.00 0.00 O ATOM 426 CB PHE A 31 -0.331 3.826 5.086 1.00 0.00 C ATOM 427 CG PHE A 31 -0.254 3.458 3.632 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.395 4.425 2.650 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.040 2.144 3.247 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.324 4.089 1.311 1.00 0.00 C ATOM 431 CE2 PHE A 31 0.032 1.803 1.909 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.111 2.776 0.940 1.00 0.00 C ATOM 0 H PHE A 31 1.275 5.990 4.493 1.00 0.00 H new ATOM 0 HA PHE A 31 1.008 4.086 6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.695 2.968 5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.062 4.624 5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.562 5.453 2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.072 1.378 4.000 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.435 4.853 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.200 0.776 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.056 2.511 -0.106 1.00 0.00 H new ATOM 442 N SER A 32 2.561 2.416 5.707 1.00 0.00 N ATOM 443 CA SER A 32 3.646 1.577 5.211 1.00 0.00 C ATOM 444 C SER A 32 3.123 0.207 4.788 1.00 0.00 C ATOM 445 O SER A 32 2.046 -0.216 5.209 1.00 0.00 O ATOM 446 CB SER A 32 4.725 1.414 6.284 1.00 0.00 C ATOM 447 OG SER A 32 4.822 2.576 7.089 1.00 0.00 O ATOM 0 H SER A 32 2.162 2.109 6.594 1.00 0.00 H new ATOM 0 HA SER A 32 4.081 2.066 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.493 0.552 6.910 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.686 1.214 5.810 1.00 0.00 H new ATOM 0 HG SER A 32 5.517 2.447 7.768 1.00 0.00 H new ATOM 453 N VAL A 33 3.894 -0.482 3.953 1.00 0.00 N ATOM 454 CA VAL A 33 3.511 -1.804 3.473 1.00 0.00 C ATOM 455 C VAL A 33 4.604 -2.829 3.755 1.00 0.00 C ATOM 456 O VAL A 33 5.794 -2.525 3.666 1.00 0.00 O ATOM 457 CB VAL A 33 3.215 -1.788 1.961 1.00 0.00 C ATOM 458 CG1 VAL A 33 2.117 -0.785 1.643 1.00 0.00 C ATOM 459 CG2 VAL A 33 4.479 -1.476 1.175 1.00 0.00 C ATOM 0 H VAL A 33 4.788 -0.146 3.595 1.00 0.00 H new ATOM 0 HA VAL A 33 2.605 -2.086 4.010 1.00 0.00 H new ATOM 0 HB VAL A 33 2.866 -2.777 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.921 -0.787 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.208 -1.059 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.434 0.211 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.252 -1.469 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.860 -0.499 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.232 -2.237 1.380 1.00 0.00 H new ATOM 469 N THR A 34 4.192 -4.046 4.095 1.00 0.00 N ATOM 470 CA THR A 34 5.136 -5.117 4.391 1.00 0.00 C ATOM 471 C THR A 34 5.190 -6.131 3.254 1.00 0.00 C ATOM 472 O THR A 34 4.164 -6.667 2.837 1.00 0.00 O ATOM 473 CB THR A 34 4.767 -5.846 5.697 1.00 0.00 C ATOM 474 OG1 THR A 34 5.060 -5.012 6.823 1.00 0.00 O ATOM 475 CG2 THR A 34 5.528 -7.157 5.819 1.00 0.00 C ATOM 0 H THR A 34 3.211 -4.315 4.172 1.00 0.00 H new ATOM 0 HA THR A 34 6.115 -4.653 4.507 1.00 0.00 H new ATOM 0 HB THR A 34 3.699 -6.065 5.675 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.821 -5.482 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.251 -7.653 6.749 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.280 -7.802 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.599 -6.957 5.820 1.00 0.00 H new ATOM 483 N VAL A 35 6.395 -6.392 2.757 1.00 0.00 N ATOM 484 CA VAL A 35 6.584 -7.344 1.669 1.00 0.00 C ATOM 485 C VAL A 35 7.233 -8.629 2.170 1.00 0.00 C ATOM 486 O VAL A 35 8.163 -8.594 2.975 1.00 0.00 O ATOM 487 CB VAL A 35 7.453 -6.748 0.546 1.00 0.00 C ATOM 488 CG1 VAL A 35 7.814 -7.816 -0.474 1.00 0.00 C ATOM 489 CG2 VAL A 35 6.737 -5.583 -0.120 1.00 0.00 C ATOM 0 H VAL A 35 7.255 -5.957 3.091 1.00 0.00 H new ATOM 0 HA VAL A 35 5.595 -7.570 1.272 1.00 0.00 H new ATOM 0 HB VAL A 35 8.377 -6.373 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.428 -7.376 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.370 -8.615 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.903 -8.224 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.365 -5.174 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.796 -5.930 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.535 -4.809 0.620 1.00 0.00 H new ATOM 499 N GLU A 36 6.735 -9.764 1.689 1.00 0.00 N ATOM 500 CA GLU A 36 7.266 -11.061 2.089 1.00 0.00 C ATOM 501 C GLU A 36 7.754 -11.847 0.875 1.00 0.00 C ATOM 502 O GLU A 36 6.957 -12.300 0.054 1.00 0.00 O ATOM 503 CB GLU A 36 6.200 -11.866 2.836 1.00 0.00 C ATOM 504 CG GLU A 36 5.656 -11.160 4.067 1.00 0.00 C ATOM 505 CD GLU A 36 6.339 -11.608 5.345 1.00 0.00 C ATOM 506 OE1 GLU A 36 7.309 -12.389 5.257 1.00 0.00 O ATOM 507 OE2 GLU A 36 5.902 -11.177 6.432 1.00 0.00 O ATOM 0 H GLU A 36 5.965 -9.811 1.022 1.00 0.00 H new ATOM 0 HA GLU A 36 8.113 -10.888 2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.375 -12.080 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.624 -12.825 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.782 -10.084 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.585 -11.348 4.146 1.00 0.00 H new ATOM 514 N SER A 37 9.070 -12.003 0.769 1.00 0.00 N ATOM 515 CA SER A 37 9.666 -12.730 -0.345 1.00 0.00 C ATOM 516 C SER A 37 10.121 -14.119 0.092 1.00 0.00 C ATOM 517 O SER A 37 10.878 -14.263 1.052 1.00 0.00 O ATOM 518 CB SER A 37 10.852 -11.949 -0.915 1.00 0.00 C ATOM 519 OG SER A 37 11.889 -11.827 0.043 1.00 0.00 O ATOM 0 H SER A 37 9.743 -11.636 1.441 1.00 0.00 H new ATOM 0 HA SER A 37 8.907 -12.843 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.231 -12.454 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.523 -10.958 -1.228 1.00 0.00 H new ATOM 0 HG SER A 37 11.783 -12.518 0.730 1.00 0.00 H new ATOM 571 N TYR A 42 11.717 -11.592 -4.816 1.00 0.00 N ATOM 572 CA TYR A 42 10.595 -10.815 -5.326 1.00 0.00 C ATOM 573 C TYR A 42 9.431 -10.826 -4.340 1.00 0.00 C ATOM 574 O TYR A 42 9.410 -11.616 -3.396 1.00 0.00 O ATOM 575 CB TYR A 42 10.137 -11.367 -6.677 1.00 0.00 C ATOM 576 CG TYR A 42 8.997 -12.354 -6.574 1.00 0.00 C ATOM 577 CD1 TYR A 42 8.991 -13.339 -5.593 1.00 0.00 C ATOM 578 CD2 TYR A 42 7.924 -12.301 -7.455 1.00 0.00 C ATOM 579 CE1 TYR A 42 7.951 -14.243 -5.496 1.00 0.00 C ATOM 580 CE2 TYR A 42 6.879 -13.200 -7.364 1.00 0.00 C ATOM 581 CZ TYR A 42 6.897 -14.169 -6.383 1.00 0.00 C ATOM 582 OH TYR A 42 5.859 -15.067 -6.288 1.00 0.00 O ATOM 0 HA TYR A 42 10.929 -9.785 -5.455 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.831 -10.537 -7.314 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.982 -11.851 -7.167 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.813 -13.398 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.907 -11.544 -8.225 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.963 -15.004 -4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.053 -13.144 -8.057 1.00 0.00 H new ATOM 0 HH TYR A 42 5.198 -14.877 -6.986 1.00 0.00 H new ATOM 592 N ALA A 43 8.463 -9.944 -4.566 1.00 0.00 N ATOM 593 CA ALA A 43 7.294 -9.853 -3.700 1.00 0.00 C ATOM 594 C ALA A 43 6.407 -11.085 -3.844 1.00 0.00 C ATOM 595 O ALA A 43 6.394 -11.735 -4.889 1.00 0.00 O ATOM 596 CB ALA A 43 6.503 -8.591 -4.012 1.00 0.00 C ATOM 0 H ALA A 43 8.465 -9.282 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 43 7.640 -9.806 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.633 -8.536 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.134 -7.717 -3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.175 -8.615 -5.051 1.00 0.00 H new ATOM 602 N THR A 44 5.667 -11.402 -2.786 1.00 0.00 N ATOM 603 CA THR A 44 4.778 -12.557 -2.793 1.00 0.00 C ATOM 604 C THR A 44 3.469 -12.249 -2.076 1.00 0.00 C ATOM 605 O THR A 44 2.390 -12.604 -2.550 1.00 0.00 O ATOM 606 CB THR A 44 5.440 -13.779 -2.128 1.00 0.00 C ATOM 607 OG1 THR A 44 5.653 -14.810 -3.099 1.00 0.00 O ATOM 608 CG2 THR A 44 4.576 -14.313 -0.996 1.00 0.00 C ATOM 0 H THR A 44 5.666 -10.875 -1.913 1.00 0.00 H new ATOM 0 HA THR A 44 4.570 -12.789 -3.838 1.00 0.00 H new ATOM 0 HB THR A 44 6.399 -13.465 -1.715 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.340 -14.522 -3.736 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.064 -15.175 -0.542 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.440 -13.535 -0.244 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.604 -14.611 -1.390 1.00 0.00 H new ATOM 616 N THR A 45 3.571 -11.584 -0.929 1.00 0.00 N ATOM 617 CA THR A 45 2.395 -11.228 -0.145 1.00 0.00 C ATOM 618 C THR A 45 2.555 -9.853 0.493 1.00 0.00 C ATOM 619 O THR A 45 3.573 -9.565 1.123 1.00 0.00 O ATOM 620 CB THR A 45 2.120 -12.266 0.959 1.00 0.00 C ATOM 621 OG1 THR A 45 2.102 -13.584 0.400 1.00 0.00 O ATOM 622 CG2 THR A 45 0.794 -11.984 1.649 1.00 0.00 C ATOM 0 H THR A 45 4.456 -11.281 -0.523 1.00 0.00 H new ATOM 0 HA THR A 45 1.550 -11.209 -0.833 1.00 0.00 H new ATOM 0 HB THR A 45 2.918 -12.197 1.698 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.928 -14.238 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.622 -12.730 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.822 -10.992 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.013 -12.028 0.918 1.00 0.00 H new ATOM 630 N VAL A 46 1.544 -9.007 0.328 1.00 0.00 N ATOM 631 CA VAL A 46 1.572 -7.662 0.891 1.00 0.00 C ATOM 632 C VAL A 46 0.608 -7.537 2.065 1.00 0.00 C ATOM 633 O VAL A 46 -0.425 -8.205 2.105 1.00 0.00 O ATOM 634 CB VAL A 46 1.214 -6.603 -0.169 1.00 0.00 C ATOM 635 CG1 VAL A 46 1.315 -5.204 0.419 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.113 -6.744 -1.388 1.00 0.00 C ATOM 0 H VAL A 46 0.695 -9.229 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 46 2.589 -7.486 1.241 1.00 0.00 H new ATOM 0 HB VAL A 46 0.184 -6.765 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.059 -4.469 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.626 -5.111 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.333 -5.027 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.846 -5.988 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.153 -6.609 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.985 -7.736 -1.822 1.00 0.00 H new ATOM 646 N GLN A 47 0.952 -6.676 3.017 1.00 0.00 N ATOM 647 CA GLN A 47 0.116 -6.463 4.192 1.00 0.00 C ATOM 648 C GLN A 47 0.216 -5.021 4.678 1.00 0.00 C ATOM 649 O GLN A 47 1.272 -4.395 4.583 1.00 0.00 O ATOM 650 CB GLN A 47 0.523 -7.421 5.314 1.00 0.00 C ATOM 651 CG GLN A 47 -0.496 -8.519 5.575 1.00 0.00 C ATOM 652 CD GLN A 47 -0.026 -9.877 5.092 1.00 0.00 C ATOM 653 OE1 GLN A 47 1.058 -10.006 4.524 1.00 0.00 O ATOM 654 NE2 GLN A 47 -0.843 -10.900 5.316 1.00 0.00 N ATOM 0 H GLN A 47 1.804 -6.115 2.998 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.918 -6.661 3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.480 -7.877 5.062 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.674 -6.851 6.231 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.704 -8.570 6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.433 -8.265 5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.733 -10.748 5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.581 -11.838 5.013 1.00 0.00 H new ATOM 663 N VAL A 48 -0.890 -4.499 5.199 1.00 0.00 N ATOM 664 CA VAL A 48 -0.926 -3.130 5.701 1.00 0.00 C ATOM 665 C VAL A 48 -0.394 -3.054 7.127 1.00 0.00 C ATOM 666 O VAL A 48 -1.083 -3.423 8.079 1.00 0.00 O ATOM 667 CB VAL A 48 -2.355 -2.558 5.666 1.00 0.00 C ATOM 668 CG1 VAL A 48 -2.335 -1.056 5.910 1.00 0.00 C ATOM 669 CG2 VAL A 48 -3.026 -2.881 4.339 1.00 0.00 C ATOM 0 H VAL A 48 -1.773 -5.003 5.285 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.288 -2.535 5.047 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.934 -3.024 6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.354 -0.669 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.896 -0.852 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.741 -0.570 5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.035 -2.469 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.450 -2.443 3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.074 -3.962 4.209 1.00 0.00 H new ATOM 679 N LYS A 49 0.836 -2.571 7.270 1.00 0.00 N ATOM 680 CA LYS A 49 1.461 -2.444 8.580 1.00 0.00 C ATOM 681 C LYS A 49 0.706 -1.442 9.448 1.00 0.00 C ATOM 682 O LYS A 49 0.052 -1.819 10.420 1.00 0.00 O ATOM 683 CB LYS A 49 2.920 -2.007 8.432 1.00 0.00 C ATOM 684 CG LYS A 49 3.808 -2.452 9.581 1.00 0.00 C ATOM 685 CD LYS A 49 5.134 -1.709 9.581 1.00 0.00 C ATOM 686 CE LYS A 49 5.163 -0.622 10.643 1.00 0.00 C ATOM 687 NZ LYS A 49 6.496 -0.525 11.301 1.00 0.00 N ATOM 0 H LYS A 49 1.420 -2.261 6.493 1.00 0.00 H new ATOM 0 HA LYS A 49 1.427 -3.419 9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.318 -2.408 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.959 -0.921 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.294 -2.281 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.991 -3.524 9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.947 -2.413 9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.304 -1.265 8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.912 0.336 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.401 -0.828 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.475 0.227 12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.725 -1.432 11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.220 -0.303 10.588 1.00 0.00 H new ATOM 701 N GLU A 50 0.800 -0.165 9.090 1.00 0.00 N ATOM 702 CA GLU A 50 0.125 0.889 9.837 1.00 0.00 C ATOM 703 C GLU A 50 -0.486 1.920 8.891 1.00 0.00 C ATOM 704 O GLU A 50 -0.040 2.077 7.754 1.00 0.00 O ATOM 705 CB GLU A 50 1.103 1.574 10.793 1.00 0.00 C ATOM 706 CG GLU A 50 2.512 1.007 10.732 1.00 0.00 C ATOM 707 CD GLU A 50 3.378 1.471 11.887 1.00 0.00 C ATOM 708 OE1 GLU A 50 2.931 1.352 13.048 1.00 0.00 O ATOM 709 OE2 GLU A 50 4.501 1.953 11.631 1.00 0.00 O ATOM 0 H GLU A 50 1.337 0.164 8.288 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.677 0.432 10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.139 2.639 10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.727 1.481 11.812 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.462 -0.082 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.978 1.302 9.792 1.00 0.00 H new ATOM 716 N VAL A 51 -1.509 2.620 9.370 1.00 0.00 N ATOM 717 CA VAL A 51 -2.181 3.637 8.569 1.00 0.00 C ATOM 718 C VAL A 51 -2.450 4.894 9.389 1.00 0.00 C ATOM 719 O VAL A 51 -3.069 4.834 10.451 1.00 0.00 O ATOM 720 CB VAL A 51 -3.513 3.113 8.001 1.00 0.00 C ATOM 721 CG1 VAL A 51 -4.119 4.125 7.041 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.309 1.771 7.315 1.00 0.00 C ATOM 0 H VAL A 51 -1.891 2.502 10.308 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.513 3.882 7.743 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.209 2.970 8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.060 3.737 6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.303 5.061 7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.429 4.303 6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.261 1.416 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.596 1.885 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.923 1.049 8.035 1.00 0.00 H new ATOM 732 N ASN A 52 -1.980 6.032 8.889 1.00 0.00 N ATOM 733 CA ASN A 52 -2.169 7.304 9.575 1.00 0.00 C ATOM 734 C ASN A 52 -3.237 8.144 8.880 1.00 0.00 C ATOM 735 O ASN A 52 -3.223 8.296 7.658 1.00 0.00 O ATOM 736 CB ASN A 52 -0.851 8.079 9.630 1.00 0.00 C ATOM 737 CG ASN A 52 -0.155 7.942 10.971 1.00 0.00 C ATOM 738 OD1 ASN A 52 -0.135 8.877 11.771 1.00 0.00 O ATOM 739 ND2 ASN A 52 0.420 6.771 11.221 1.00 0.00 N ATOM 0 H ASN A 52 -1.465 6.099 8.011 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.502 7.094 10.591 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.189 7.721 8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.044 9.133 9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.903 6.619 12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.378 6.024 10.528 1.00 0.00 H new ATOM 746 N ARG A 53 -4.160 8.686 9.666 1.00 0.00 N ATOM 747 CA ARG A 53 -5.235 9.510 9.127 1.00 0.00 C ATOM 748 C ARG A 53 -4.774 10.952 8.939 1.00 0.00 C ATOM 749 O ARG A 53 -5.177 11.625 7.991 1.00 0.00 O ATOM 750 CB ARG A 53 -6.452 9.469 10.053 1.00 0.00 C ATOM 751 CG ARG A 53 -6.656 8.124 10.731 1.00 0.00 C ATOM 752 CD ARG A 53 -6.304 8.186 12.209 1.00 0.00 C ATOM 753 NE ARG A 53 -5.455 7.070 12.617 1.00 0.00 N ATOM 754 CZ ARG A 53 -5.372 6.629 13.867 1.00 0.00 C ATOM 755 NH1 ARG A 53 -6.083 7.206 14.826 1.00 0.00 N ATOM 756 NH2 ARG A 53 -4.576 5.608 14.160 1.00 0.00 N ATOM 0 H ARG A 53 -4.185 8.570 10.679 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.514 9.106 8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.343 10.239 10.817 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.344 9.715 9.478 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.694 7.811 10.616 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.040 7.371 10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.794 9.126 12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.220 8.180 12.800 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.895 6.604 11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.696 7.991 14.605 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.017 6.865 15.785 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.028 5.162 13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.513 5.270 15.120 1.00 0.00 H new ATOM 770 N MET A 54 -3.927 11.420 9.850 1.00 0.00 N ATOM 771 CA MET A 54 -3.411 12.782 9.785 1.00 0.00 C ATOM 772 C MET A 54 -2.515 12.966 8.564 1.00 0.00 C ATOM 773 O MET A 54 -2.068 14.075 8.271 1.00 0.00 O ATOM 774 CB MET A 54 -2.631 13.117 11.058 1.00 0.00 C ATOM 775 CG MET A 54 -3.275 14.210 11.895 1.00 0.00 C ATOM 776 SD MET A 54 -2.085 15.435 12.473 1.00 0.00 S ATOM 777 CE MET A 54 -3.067 16.930 12.383 1.00 0.00 C ATOM 0 H MET A 54 -3.584 10.876 10.642 1.00 0.00 H new ATOM 0 HA MET A 54 -4.259 13.461 9.698 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.535 12.216 11.664 1.00 0.00 H new ATOM 0 HB3 MET A 54 -1.622 13.426 10.785 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.045 14.707 11.305 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.772 13.759 12.754 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.467 17.779 12.710 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.393 17.090 11.355 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.939 16.832 13.029 1.00 0.00 H new ATOM 787 N HIS A 55 -2.257 11.872 7.854 1.00 0.00 N ATOM 788 CA HIS A 55 -1.415 11.913 6.664 1.00 0.00 C ATOM 789 C HIS A 55 -2.226 11.588 5.413 1.00 0.00 C ATOM 790 O HIS A 55 -2.104 12.262 4.390 1.00 0.00 O ATOM 791 CB HIS A 55 -0.252 10.930 6.802 1.00 0.00 C ATOM 792 CG HIS A 55 0.984 11.542 7.386 1.00 0.00 C ATOM 793 ND1 HIS A 55 1.674 12.569 6.778 1.00 0.00 N ATOM 794 CD2 HIS A 55 1.652 11.268 8.531 1.00 0.00 C ATOM 795 CE1 HIS A 55 2.714 12.899 7.523 1.00 0.00 C ATOM 796 NE2 HIS A 55 2.723 12.124 8.593 1.00 0.00 N ATOM 0 H HIS A 55 -2.619 10.946 8.082 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.017 12.923 6.565 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.565 10.095 7.429 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.015 10.520 5.820 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.391 10.516 9.260 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.434 13.671 7.296 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.413 12.157 9.343 1.00 0.00 H new ATOM 805 N ILE A 56 -3.052 10.551 5.503 1.00 0.00 N ATOM 806 CA ILE A 56 -3.882 10.137 4.378 1.00 0.00 C ATOM 807 C ILE A 56 -5.063 11.083 4.190 1.00 0.00 C ATOM 808 O ILE A 56 -5.021 11.986 3.355 1.00 0.00 O ATOM 809 CB ILE A 56 -4.412 8.703 4.567 1.00 0.00 C ATOM 810 CG1 ILE A 56 -3.260 7.698 4.507 1.00 0.00 C ATOM 811 CG2 ILE A 56 -5.458 8.382 3.510 1.00 0.00 C ATOM 812 CD1 ILE A 56 -3.673 6.284 4.851 1.00 0.00 C ATOM 0 H ILE A 56 -3.164 9.983 6.342 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.250 10.168 3.491 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.881 8.631 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.831 7.709 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.475 8.016 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.823 7.365 3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.289 9.082 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.012 8.468 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.806 5.626 4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.075 6.259 5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.436 5.947 4.149 1.00 0.00 H new ATOM 824 N SER A 57 -6.116 10.870 4.973 1.00 0.00 N ATOM 825 CA SER A 57 -7.310 11.702 4.892 1.00 0.00 C ATOM 826 C SER A 57 -8.502 11.006 5.542 1.00 0.00 C ATOM 827 O SER A 57 -8.605 9.779 5.557 1.00 0.00 O ATOM 828 CB SER A 57 -7.630 12.031 3.432 1.00 0.00 C ATOM 829 OG SER A 57 -7.266 13.364 3.118 1.00 0.00 O ATOM 0 H SER A 57 -6.166 10.128 5.671 1.00 0.00 H new ATOM 0 HA SER A 57 -7.115 12.629 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.099 11.342 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.695 11.889 3.249 1.00 0.00 H new ATOM 0 HG SER A 57 -6.290 13.434 3.071 1.00 0.00 H new ATOM 835 N PRO A 58 -9.426 11.808 6.092 1.00 0.00 N ATOM 836 CA PRO A 58 -10.629 11.292 6.754 1.00 0.00 C ATOM 837 C PRO A 58 -11.613 10.673 5.767 1.00 0.00 C ATOM 838 O PRO A 58 -12.669 10.179 6.157 1.00 0.00 O ATOM 839 CB PRO A 58 -11.237 12.537 7.405 1.00 0.00 C ATOM 840 CG PRO A 58 -10.740 13.676 6.582 1.00 0.00 C ATOM 841 CD PRO A 58 -9.368 13.279 6.111 1.00 0.00 C ATOM 0 HA PRO A 58 -10.396 10.495 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.326 12.493 7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.924 12.633 8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.403 13.866 5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.701 14.594 7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.149 13.685 5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.591 13.642 6.784 1.00 0.00 H new ATOM 849 N ASN A 59 -11.257 10.703 4.486 1.00 0.00 N ATOM 850 CA ASN A 59 -12.110 10.144 3.443 1.00 0.00 C ATOM 851 C ASN A 59 -11.572 8.800 2.963 1.00 0.00 C ATOM 852 O ASN A 59 -12.238 7.773 3.087 1.00 0.00 O ATOM 853 CB ASN A 59 -12.213 11.115 2.265 1.00 0.00 C ATOM 854 CG ASN A 59 -13.057 10.563 1.133 1.00 0.00 C ATOM 855 OD1 ASN A 59 -14.286 10.579 1.195 1.00 0.00 O ATOM 856 ND2 ASN A 59 -12.398 10.070 0.090 1.00 0.00 N ATOM 0 H ASN A 59 -10.385 11.108 4.146 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.103 9.988 3.865 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.643 12.056 2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.213 11.338 1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.912 9.684 -0.702 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.378 10.077 0.081 1.00 0.00 H new ATOM 863 N ASN A 60 -10.361 8.815 2.415 1.00 0.00 N ATOM 864 CA ASN A 60 -9.733 7.597 1.916 1.00 0.00 C ATOM 865 C ASN A 60 -9.363 6.665 3.066 1.00 0.00 C ATOM 866 O ASN A 60 -9.122 5.475 2.861 1.00 0.00 O ATOM 867 CB ASN A 60 -8.484 7.939 1.101 1.00 0.00 C ATOM 868 CG ASN A 60 -8.724 9.077 0.127 1.00 0.00 C ATOM 869 OD1 ASN A 60 -8.256 10.196 0.336 1.00 0.00 O ATOM 870 ND2 ASN A 60 -9.456 8.794 -0.944 1.00 0.00 N ATOM 0 H ASN A 60 -9.795 9.657 2.305 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.450 7.086 1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.674 8.209 1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.159 7.056 0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.651 9.519 -1.635 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.824 7.852 -1.076 1.00 0.00 H new ATOM 877 N ARG A 61 -9.320 7.215 4.275 1.00 0.00 N ATOM 878 CA ARG A 61 -8.980 6.433 5.458 1.00 0.00 C ATOM 879 C ARG A 61 -10.101 5.459 5.807 1.00 0.00 C ATOM 880 O ARG A 61 -9.851 4.364 6.309 1.00 0.00 O ATOM 881 CB ARG A 61 -8.705 7.358 6.645 1.00 0.00 C ATOM 882 CG ARG A 61 -8.657 6.636 7.982 1.00 0.00 C ATOM 883 CD ARG A 61 -10.026 6.595 8.642 1.00 0.00 C ATOM 884 NE ARG A 61 -10.451 5.229 8.937 1.00 0.00 N ATOM 885 CZ ARG A 61 -9.859 4.454 9.839 1.00 0.00 C ATOM 886 NH1 ARG A 61 -8.823 4.908 10.531 1.00 0.00 N ATOM 887 NH2 ARG A 61 -10.304 3.222 10.051 1.00 0.00 N ATOM 0 H ARG A 61 -9.516 8.198 4.461 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.080 5.859 5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.756 7.870 6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.478 8.125 6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.292 5.619 7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.949 7.137 8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.001 7.174 9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.758 7.069 7.988 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.246 4.849 8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.479 5.855 10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.371 4.311 11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.101 2.869 9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.849 2.628 10.744 1.00 0.00 H new ATOM 901 N ASN A 62 -11.337 5.866 5.539 1.00 0.00 N ATOM 902 CA ASN A 62 -12.497 5.030 5.826 1.00 0.00 C ATOM 903 C ASN A 62 -12.531 3.813 4.906 1.00 0.00 C ATOM 904 O ASN A 62 -13.331 2.899 5.100 1.00 0.00 O ATOM 905 CB ASN A 62 -13.786 5.839 5.669 1.00 0.00 C ATOM 906 CG ASN A 62 -15.011 5.069 6.125 1.00 0.00 C ATOM 907 OD1 ASN A 62 -15.620 4.334 5.348 1.00 0.00 O ATOM 908 ND2 ASN A 62 -15.376 5.235 7.391 1.00 0.00 N ATOM 0 H ASN A 62 -11.561 6.770 5.123 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.418 4.682 6.856 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.705 6.761 6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.908 6.124 4.624 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.192 4.743 7.755 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.841 5.855 7.999 1.00 0.00 H new ATOM 915 N ALA A 63 -11.657 3.810 3.905 1.00 0.00 N ATOM 916 CA ALA A 63 -11.585 2.706 2.957 1.00 0.00 C ATOM 917 C ALA A 63 -10.443 1.757 3.305 1.00 0.00 C ATOM 918 O ALA A 63 -10.568 0.541 3.157 1.00 0.00 O ATOM 919 CB ALA A 63 -11.421 3.236 1.540 1.00 0.00 C ATOM 0 H ALA A 63 -10.989 4.560 3.730 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.518 2.147 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.369 2.400 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.273 3.867 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.504 3.821 1.474 1.00 0.00 H new ATOM 925 N ILE A 64 -9.332 2.320 3.766 1.00 0.00 N ATOM 926 CA ILE A 64 -8.169 1.524 4.135 1.00 0.00 C ATOM 927 C ILE A 64 -8.141 1.253 5.636 1.00 0.00 C ATOM 928 O ILE A 64 -8.871 1.880 6.404 1.00 0.00 O ATOM 929 CB ILE A 64 -6.857 2.220 3.727 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.737 1.191 3.563 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.472 3.271 4.758 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.876 1.424 2.342 1.00 0.00 C ATOM 0 H ILE A 64 -9.213 3.325 3.893 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.252 0.579 3.599 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.010 2.718 2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.106 1.209 4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.176 0.195 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.543 3.754 4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.263 4.018 4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.334 2.795 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.103 0.657 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.495 1.377 1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.408 2.406 2.409 1.00 0.00 H new ATOM 944 N HIS A 65 -7.294 0.315 6.047 1.00 0.00 N ATOM 945 CA HIS A 65 -7.169 -0.038 7.456 1.00 0.00 C ATOM 946 C HIS A 65 -6.079 -1.086 7.660 1.00 0.00 C ATOM 947 O HIS A 65 -5.865 -1.964 6.824 1.00 0.00 O ATOM 948 CB HIS A 65 -8.502 -0.562 7.993 1.00 0.00 C ATOM 949 CG HIS A 65 -9.303 -1.313 6.975 1.00 0.00 C ATOM 950 ND1 HIS A 65 -10.074 -0.872 5.953 1.00 0.00 N flip ATOM 951 CD2 HIS A 65 -9.372 -2.690 6.939 1.00 0.00 C flip ATOM 952 CE1 HIS A 65 -10.589 -1.979 5.324 1.00 0.00 C flip ATOM 953 NE2 HIS A 65 -10.150 -3.063 5.938 1.00 0.00 N flip ATOM 0 H HIS A 65 -6.684 -0.214 5.424 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.892 0.861 8.006 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.310 -1.214 8.845 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.092 0.278 8.360 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.869 -3.359 7.622 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.246 -1.965 4.467 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.374 -4.025 5.683 1.00 0.00 H new ATOM 962 N PRO A 66 -5.372 -0.993 8.796 1.00 0.00 N ATOM 963 CA PRO A 66 -4.292 -1.924 9.135 1.00 0.00 C ATOM 964 C PRO A 66 -4.811 -3.321 9.458 1.00 0.00 C ATOM 965 O PRO A 66 -5.473 -3.528 10.474 1.00 0.00 O ATOM 966 CB PRO A 66 -3.654 -1.291 10.374 1.00 0.00 C ATOM 967 CG PRO A 66 -4.740 -0.473 10.984 1.00 0.00 C ATOM 968 CD PRO A 66 -5.573 0.029 9.837 1.00 0.00 C ATOM 0 HA PRO A 66 -3.599 -2.063 8.306 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.295 -2.052 11.067 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.796 -0.674 10.106 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.340 -1.070 11.670 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.328 0.356 11.560 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.624 0.120 10.113 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.245 1.013 9.503 1.00 0.00 H new ATOM 976 N GLY A 67 -4.506 -4.277 8.585 1.00 0.00 N ATOM 977 CA GLY A 67 -4.950 -5.642 8.796 1.00 0.00 C ATOM 978 C GLY A 67 -5.231 -6.368 7.495 1.00 0.00 C ATOM 979 O GLY A 67 -5.237 -7.598 7.452 1.00 0.00 O ATOM 0 H GLY A 67 -3.960 -4.130 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.189 -6.186 9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.852 -5.637 9.408 1.00 0.00 H new ATOM 983 N ASP A 68 -5.466 -5.606 6.433 1.00 0.00 N ATOM 984 CA ASP A 68 -5.750 -6.183 5.125 1.00 0.00 C ATOM 985 C ASP A 68 -4.458 -6.483 4.371 1.00 0.00 C ATOM 986 O ASP A 68 -3.362 -6.268 4.889 1.00 0.00 O ATOM 987 CB ASP A 68 -6.626 -5.235 4.304 1.00 0.00 C ATOM 988 CG ASP A 68 -8.002 -5.810 4.030 1.00 0.00 C ATOM 989 OD1 ASP A 68 -8.780 -5.973 4.993 1.00 0.00 O ATOM 990 OD2 ASP A 68 -8.300 -6.096 2.852 1.00 0.00 O ATOM 0 H ASP A 68 -5.465 -4.586 6.453 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.286 -7.120 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.730 -4.289 4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.132 -5.016 3.357 1.00 0.00 H new ATOM 995 N ARG A 69 -4.595 -6.981 3.147 1.00 0.00 N ATOM 996 CA ARG A 69 -3.439 -7.312 2.322 1.00 0.00 C ATOM 997 C ARG A 69 -3.657 -6.872 0.878 1.00 0.00 C ATOM 998 O ARG A 69 -4.223 -7.612 0.072 1.00 0.00 O ATOM 999 CB ARG A 69 -3.164 -8.816 2.373 1.00 0.00 C ATOM 1000 CG ARG A 69 -4.411 -9.656 2.596 1.00 0.00 C ATOM 1001 CD ARG A 69 -4.441 -10.865 1.675 1.00 0.00 C ATOM 1002 NE ARG A 69 -3.790 -12.026 2.274 1.00 0.00 N ATOM 1003 CZ ARG A 69 -3.676 -13.201 1.665 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -4.167 -13.369 0.445 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -3.070 -14.211 2.276 1.00 0.00 N ATOM 0 H ARG A 69 -5.495 -7.164 2.704 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.576 -6.778 2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.692 -9.122 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.451 -9.020 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.447 -9.987 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.298 -9.045 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.475 -11.113 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.947 -10.617 0.735 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.401 -11.930 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.634 -12.595 -0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.078 -14.272 -0.021 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.691 -14.086 3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.983 -15.113 1.807 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.206 -5.664 0.558 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.351 -5.126 -0.789 1.00 0.00 C ATOM 1021 C ILE A 70 -3.025 -6.181 -1.840 1.00 0.00 C ATOM 1022 O ILE A 70 -2.064 -6.939 -1.698 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.443 -3.902 -1.008 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.882 -2.746 -0.106 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -2.466 -3.479 -2.469 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -1.809 -2.291 0.858 1.00 0.00 C ATOM 0 H ILE A 70 -2.737 -5.039 1.213 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.392 -4.819 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.421 -4.175 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.181 -1.903 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.762 -3.051 0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.819 -2.613 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.110 -4.300 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.485 -3.221 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.190 -1.470 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.527 -3.121 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.936 -1.954 0.299 1.00 0.00 H new ATOM 1038 N LEU A 71 -3.829 -6.224 -2.897 1.00 0.00 N ATOM 1039 CA LEU A 71 -3.625 -7.186 -3.975 1.00 0.00 C ATOM 1040 C LEU A 71 -2.965 -6.522 -5.179 1.00 0.00 C ATOM 1041 O LEU A 71 -2.331 -7.188 -5.996 1.00 0.00 O ATOM 1042 CB LEU A 71 -4.960 -7.808 -4.389 1.00 0.00 C ATOM 1043 CG LEU A 71 -6.209 -7.210 -3.741 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -7.465 -7.737 -4.416 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -6.234 -7.514 -2.250 1.00 0.00 C ATOM 0 H LEU A 71 -4.628 -5.604 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.964 -7.971 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.059 -7.720 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.929 -8.873 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.179 -6.128 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.344 -7.300 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.451 -7.467 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.502 -8.822 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.130 -7.081 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.239 -8.593 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.351 -7.086 -1.777 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.117 -5.205 -5.280 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.534 -4.452 -6.383 1.00 0.00 C ATOM 1059 C GLU A 72 -2.231 -3.017 -5.962 1.00 0.00 C ATOM 1060 O GLU A 72 -2.863 -2.479 -5.053 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.480 -4.453 -7.586 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.939 -5.842 -7.998 1.00 0.00 C ATOM 1063 CD GLU A 72 -4.863 -5.818 -9.200 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -4.833 -4.822 -9.953 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -5.616 -6.796 -9.388 1.00 0.00 O ATOM 0 H GLU A 72 -3.639 -4.638 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.598 -4.935 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.354 -3.846 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.980 -3.979 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.068 -6.456 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.451 -6.315 -7.160 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.260 -2.403 -6.630 1.00 0.00 N ATOM 1073 CA ILE A 73 -0.873 -1.031 -6.326 1.00 0.00 C ATOM 1074 C ILE A 73 -0.737 -0.203 -7.599 1.00 0.00 C ATOM 1075 O ILE A 73 -0.012 -0.577 -8.520 1.00 0.00 O ATOM 1076 CB ILE A 73 0.456 -0.980 -5.550 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.321 -1.716 -4.215 1.00 0.00 C ATOM 1078 CG2 ILE A 73 0.883 0.463 -5.324 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.407 -1.370 -3.221 1.00 0.00 C ATOM 0 H ILE A 73 -0.727 -2.834 -7.385 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.664 -0.611 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 73 1.224 -1.477 -6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.649 -1.482 -3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.337 -2.790 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.824 0.482 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.015 0.958 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.117 0.984 -4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.247 -1.928 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.379 -1.630 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.378 -0.301 -3.008 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.439 0.924 -7.643 1.00 0.00 N ATOM 1092 CA ASN A 74 -1.396 1.807 -8.803 1.00 0.00 C ATOM 1093 C ASN A 74 -1.934 1.101 -10.044 1.00 0.00 C ATOM 1094 O ASN A 74 -1.815 1.607 -11.159 1.00 0.00 O ATOM 1095 CB ASN A 74 0.037 2.283 -9.055 1.00 0.00 C ATOM 1096 CG ASN A 74 0.263 3.708 -8.588 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -0.684 4.478 -8.426 1.00 0.00 O ATOM 1098 ND2 ASN A 74 1.523 4.066 -8.369 1.00 0.00 N ATOM 0 H ASN A 74 -2.045 1.248 -6.889 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.028 2.671 -8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.733 1.620 -8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.258 2.213 -10.120 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.737 5.012 -8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.277 3.395 -8.516 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.529 -0.071 -9.841 1.00 0.00 N ATOM 1106 CA GLY A 75 -3.077 -0.827 -10.951 1.00 0.00 C ATOM 1107 C GLY A 75 -2.127 -1.897 -11.450 1.00 0.00 C ATOM 1108 O GLY A 75 -2.082 -2.191 -12.645 1.00 0.00 O ATOM 0 H GLY A 75 -2.641 -0.510 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.013 -1.292 -10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.314 -0.146 -11.768 1.00 0.00 H new ATOM 1112 N THR A 76 -1.361 -2.481 -10.533 1.00 0.00 N ATOM 1113 CA THR A 76 -0.405 -3.522 -10.886 1.00 0.00 C ATOM 1114 C THR A 76 -0.412 -4.647 -9.858 1.00 0.00 C ATOM 1115 O THR A 76 -0.620 -4.428 -8.664 1.00 0.00 O ATOM 1116 CB THR A 76 1.023 -2.957 -11.002 1.00 0.00 C ATOM 1117 OG1 THR A 76 1.058 -1.610 -10.516 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.505 -2.993 -12.445 1.00 0.00 C ATOM 0 H THR A 76 -1.385 -2.250 -9.540 1.00 0.00 H new ATOM 0 HA THR A 76 -0.712 -3.917 -11.855 1.00 0.00 H new ATOM 0 HB THR A 76 1.685 -3.578 -10.399 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.872 -1.604 -9.554 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.516 -2.589 -12.501 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.505 -4.023 -12.803 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.839 -2.393 -13.066 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.179 -5.881 -10.328 1.00 0.00 N ATOM 1127 CA PRO A 77 -0.152 -7.065 -9.465 1.00 0.00 C ATOM 1128 C PRO A 77 1.061 -7.082 -8.541 1.00 0.00 C ATOM 1129 O PRO A 77 2.203 -7.024 -8.998 1.00 0.00 O ATOM 1130 CB PRO A 77 -0.083 -8.228 -10.459 1.00 0.00 C ATOM 1131 CG PRO A 77 0.540 -7.645 -11.680 1.00 0.00 C ATOM 1132 CD PRO A 77 0.077 -6.215 -11.739 1.00 0.00 C ATOM 0 HA PRO A 77 -1.016 -7.104 -8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.513 -9.051 -10.065 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.075 -8.626 -10.672 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.627 -7.701 -11.628 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.235 -8.191 -12.573 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.836 -5.565 -12.175 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.822 -6.108 -12.347 1.00 0.00 H new ATOM 1140 N VAL A 78 0.807 -7.162 -7.239 1.00 0.00 N ATOM 1141 CA VAL A 78 1.878 -7.189 -6.251 1.00 0.00 C ATOM 1142 C VAL A 78 2.493 -8.580 -6.143 1.00 0.00 C ATOM 1143 O VAL A 78 3.612 -8.739 -5.656 1.00 0.00 O ATOM 1144 CB VAL A 78 1.373 -6.753 -4.863 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.717 -5.383 -4.938 1.00 0.00 C ATOM 1146 CG2 VAL A 78 0.406 -7.785 -4.301 1.00 0.00 C ATOM 0 H VAL A 78 -0.132 -7.209 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 78 2.638 -6.485 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 78 2.228 -6.683 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.367 -5.093 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.442 -4.652 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.128 -5.422 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.059 -7.462 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.447 -7.888 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.913 -8.746 -4.208 1.00 0.00 H new ATOM 1156 N ARG A 79 1.753 -9.584 -6.600 1.00 0.00 N ATOM 1157 CA ARG A 79 2.224 -10.963 -6.554 1.00 0.00 C ATOM 1158 C ARG A 79 3.265 -11.218 -7.640 1.00 0.00 C ATOM 1159 O ARG A 79 3.806 -12.319 -7.752 1.00 0.00 O ATOM 1160 CB ARG A 79 1.051 -11.931 -6.720 1.00 0.00 C ATOM 1161 CG ARG A 79 0.379 -11.847 -8.081 1.00 0.00 C ATOM 1162 CD ARG A 79 -1.043 -12.382 -8.034 1.00 0.00 C ATOM 1163 NE ARG A 79 -1.414 -13.060 -9.273 1.00 0.00 N ATOM 1164 CZ ARG A 79 -0.774 -14.123 -9.749 1.00 0.00 C ATOM 1165 NH1 ARG A 79 0.263 -14.625 -9.092 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -1.172 -14.685 -10.883 1.00 0.00 N ATOM 0 H ARG A 79 0.825 -9.469 -7.006 1.00 0.00 H new ATOM 0 HA ARG A 79 2.689 -11.130 -5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.406 -12.949 -6.562 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.311 -11.728 -5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.368 -10.811 -8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.958 -12.414 -8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.142 -13.075 -7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.734 -11.559 -7.850 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.208 -12.698 -9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.571 -14.195 -8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.753 -15.441 -9.459 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.970 -14.301 -11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.680 -15.501 -11.248 1.00 0.00 H new ATOM 1180 N THR A 80 3.542 -10.193 -8.440 1.00 0.00 N ATOM 1181 CA THR A 80 4.517 -10.305 -9.518 1.00 0.00 C ATOM 1182 C THR A 80 5.598 -9.237 -9.396 1.00 0.00 C ATOM 1183 O THR A 80 6.778 -9.504 -9.627 1.00 0.00 O ATOM 1184 CB THR A 80 3.844 -10.184 -10.898 1.00 0.00 C ATOM 1185 OG1 THR A 80 3.530 -8.814 -11.171 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.576 -11.022 -10.958 1.00 0.00 C ATOM 0 H THR A 80 3.104 -9.275 -8.362 1.00 0.00 H new ATOM 0 HA THR A 80 4.974 -11.291 -9.430 1.00 0.00 H new ATOM 0 HB THR A 80 4.540 -10.554 -11.651 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.048 -8.431 -10.409 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.119 -10.920 -11.942 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.823 -12.069 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.877 -10.679 -10.196 1.00 0.00 H new ATOM 1194 N LEU A 81 5.188 -8.027 -9.031 1.00 0.00 N ATOM 1195 CA LEU A 81 6.123 -6.918 -8.877 1.00 0.00 C ATOM 1196 C LEU A 81 7.305 -7.319 -8.001 1.00 0.00 C ATOM 1197 O LEU A 81 7.293 -8.377 -7.371 1.00 0.00 O ATOM 1198 CB LEU A 81 5.411 -5.707 -8.270 1.00 0.00 C ATOM 1199 CG LEU A 81 4.587 -4.858 -9.239 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.595 -3.992 -8.479 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.498 -3.996 -10.101 1.00 0.00 C ATOM 0 H LEU A 81 4.215 -7.789 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 81 6.501 -6.653 -9.865 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.752 -6.058 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.160 -5.067 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 81 4.028 -5.528 -9.893 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.018 -3.395 -9.185 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.921 -4.628 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.134 -3.331 -7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.894 -3.399 -10.784 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.084 -3.335 -9.463 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.169 -4.636 -10.674 1.00 0.00 H new ATOM 1213 N ARG A 82 8.323 -6.465 -7.963 1.00 0.00 N ATOM 1214 CA ARG A 82 9.513 -6.730 -7.163 1.00 0.00 C ATOM 1215 C ARG A 82 9.452 -5.983 -5.834 1.00 0.00 C ATOM 1216 O ARG A 82 8.852 -4.912 -5.739 1.00 0.00 O ATOM 1217 CB ARG A 82 10.771 -6.324 -7.932 1.00 0.00 C ATOM 1218 CG ARG A 82 10.963 -7.086 -9.233 1.00 0.00 C ATOM 1219 CD ARG A 82 12.381 -6.939 -9.761 1.00 0.00 C ATOM 1220 NE ARG A 82 12.992 -8.232 -10.056 1.00 0.00 N ATOM 1221 CZ ARG A 82 12.683 -8.966 -11.119 1.00 0.00 C ATOM 1222 NH1 ARG A 82 11.776 -8.536 -11.985 1.00 0.00 N ATOM 1223 NH2 ARG A 82 13.283 -10.133 -11.318 1.00 0.00 N ATOM 0 H ARG A 82 8.347 -5.584 -8.477 1.00 0.00 H new ATOM 0 HA ARG A 82 9.551 -7.800 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.725 -5.257 -8.149 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.642 -6.482 -7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.740 -8.141 -9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.257 -6.720 -9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.370 -6.329 -10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.988 -6.410 -9.026 1.00 0.00 H new ATOM 0 HE ARG A 82 13.695 -8.591 -9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.313 -7.639 -11.836 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.541 -9.102 -12.800 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.982 -10.467 -10.654 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.045 -10.696 -12.135 1.00 0.00 H new ATOM 1237 N VAL A 83 10.077 -6.555 -4.810 1.00 0.00 N ATOM 1238 CA VAL A 83 10.094 -5.943 -3.487 1.00 0.00 C ATOM 1239 C VAL A 83 10.329 -4.440 -3.579 1.00 0.00 C ATOM 1240 O VAL A 83 9.499 -3.644 -3.142 1.00 0.00 O ATOM 1241 CB VAL A 83 11.183 -6.568 -2.594 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.099 -6.012 -1.181 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.061 -8.084 -2.588 1.00 0.00 C ATOM 0 H VAL A 83 10.578 -7.441 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 83 9.117 -6.128 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 83 12.159 -6.307 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.876 -6.465 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.240 -4.931 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.121 -6.240 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.838 -8.509 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.082 -8.369 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.176 -8.462 -3.604 1.00 0.00 H new ATOM 1253 N GLU A 84 11.467 -4.058 -4.152 1.00 0.00 N ATOM 1254 CA GLU A 84 11.811 -2.649 -4.302 1.00 0.00 C ATOM 1255 C GLU A 84 10.679 -1.882 -4.979 1.00 0.00 C ATOM 1256 O GLU A 84 10.502 -0.686 -4.749 1.00 0.00 O ATOM 1257 CB GLU A 84 13.100 -2.499 -5.113 1.00 0.00 C ATOM 1258 CG GLU A 84 13.206 -3.476 -6.272 1.00 0.00 C ATOM 1259 CD GLU A 84 14.406 -4.396 -6.151 1.00 0.00 C ATOM 1260 OE1 GLU A 84 15.476 -3.920 -5.716 1.00 0.00 O ATOM 1261 OE2 GLU A 84 14.276 -5.590 -6.491 1.00 0.00 O ATOM 0 H GLU A 84 12.165 -4.704 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 84 11.966 -2.231 -3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.160 -1.482 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.954 -2.639 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.297 -4.075 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.272 -2.919 -7.207 1.00 0.00 H new ATOM 1268 N GLU A 85 9.915 -2.579 -5.814 1.00 0.00 N ATOM 1269 CA GLU A 85 8.802 -1.963 -6.526 1.00 0.00 C ATOM 1270 C GLU A 85 7.613 -1.748 -5.593 1.00 0.00 C ATOM 1271 O GLU A 85 7.095 -0.637 -5.476 1.00 0.00 O ATOM 1272 CB GLU A 85 8.382 -2.833 -7.712 1.00 0.00 C ATOM 1273 CG GLU A 85 8.653 -2.192 -9.063 1.00 0.00 C ATOM 1274 CD GLU A 85 10.133 -1.984 -9.323 1.00 0.00 C ATOM 1275 OE1 GLU A 85 10.781 -2.916 -9.842 1.00 0.00 O ATOM 1276 OE2 GLU A 85 10.641 -0.888 -9.008 1.00 0.00 O ATOM 0 H GLU A 85 10.047 -3.571 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 85 9.133 -0.993 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.910 -3.785 -7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.318 -3.054 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.234 -2.820 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.140 -1.232 -9.115 1.00 0.00 H new ATOM 1283 N VAL A 86 7.186 -2.818 -4.931 1.00 0.00 N ATOM 1284 CA VAL A 86 6.059 -2.747 -4.008 1.00 0.00 C ATOM 1285 C VAL A 86 6.281 -1.670 -2.953 1.00 0.00 C ATOM 1286 O VAL A 86 5.327 -1.140 -2.384 1.00 0.00 O ATOM 1287 CB VAL A 86 5.823 -4.098 -3.306 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.505 -4.082 -2.548 1.00 0.00 C ATOM 1289 CG2 VAL A 86 5.854 -5.235 -4.316 1.00 0.00 C ATOM 0 H VAL A 86 7.603 -3.745 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 86 5.179 -2.495 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 86 6.626 -4.260 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.355 -5.044 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.527 -3.292 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.687 -3.898 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.686 -6.182 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.073 -5.082 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.826 -5.257 -4.809 1.00 0.00 H new ATOM 1299 N GLU A 87 7.545 -1.351 -2.696 1.00 0.00 N ATOM 1300 CA GLU A 87 7.891 -0.336 -1.708 1.00 0.00 C ATOM 1301 C GLU A 87 7.991 1.042 -2.355 1.00 0.00 C ATOM 1302 O GLU A 87 7.449 2.021 -1.842 1.00 0.00 O ATOM 1303 CB GLU A 87 9.215 -0.688 -1.025 1.00 0.00 C ATOM 1304 CG GLU A 87 9.042 -1.389 0.312 1.00 0.00 C ATOM 1305 CD GLU A 87 9.152 -0.438 1.488 1.00 0.00 C ATOM 1306 OE1 GLU A 87 8.164 0.268 1.775 1.00 0.00 O ATOM 1307 OE2 GLU A 87 10.228 -0.401 2.122 1.00 0.00 O ATOM 0 H GLU A 87 8.347 -1.781 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 87 7.099 -0.310 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.798 -1.327 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.791 0.225 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.070 -1.881 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.797 -2.170 0.409 1.00 0.00 H new ATOM 1314 N ASP A 88 8.687 1.110 -3.484 1.00 0.00 N ATOM 1315 CA ASP A 88 8.858 2.367 -4.203 1.00 0.00 C ATOM 1316 C ASP A 88 7.507 3.005 -4.511 1.00 0.00 C ATOM 1317 O ASP A 88 7.326 4.210 -4.339 1.00 0.00 O ATOM 1318 CB ASP A 88 9.635 2.136 -5.500 1.00 0.00 C ATOM 1319 CG ASP A 88 11.102 2.494 -5.369 1.00 0.00 C ATOM 1320 OD1 ASP A 88 11.443 3.270 -4.452 1.00 0.00 O ATOM 1321 OD2 ASP A 88 11.909 2.000 -6.184 1.00 0.00 O ATOM 0 H ASP A 88 9.142 0.309 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 88 9.424 3.047 -3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.544 1.090 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.189 2.730 -6.298 1.00 0.00 H new ATOM 1326 N ALA A 89 6.563 2.188 -4.966 1.00 0.00 N ATOM 1327 CA ALA A 89 5.229 2.673 -5.297 1.00 0.00 C ATOM 1328 C ALA A 89 4.660 3.529 -4.170 1.00 0.00 C ATOM 1329 O ALA A 89 4.049 4.569 -4.416 1.00 0.00 O ATOM 1330 CB ALA A 89 4.301 1.504 -5.593 1.00 0.00 C ATOM 0 H ALA A 89 6.697 1.188 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 89 5.307 3.296 -6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.308 1.881 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.692 0.934 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.238 0.859 -4.717 1.00 0.00 H new ATOM 1336 N ILE A 90 4.865 3.084 -2.935 1.00 0.00 N ATOM 1337 CA ILE A 90 4.373 3.810 -1.771 1.00 0.00 C ATOM 1338 C ILE A 90 5.173 5.088 -1.541 1.00 0.00 C ATOM 1339 O ILE A 90 4.653 6.075 -1.020 1.00 0.00 O ATOM 1340 CB ILE A 90 4.435 2.944 -0.499 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.143 1.481 -0.838 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.452 3.459 0.541 1.00 0.00 C ATOM 1343 CD1 ILE A 90 2.946 1.298 -1.744 1.00 0.00 C ATOM 0 H ILE A 90 5.368 2.225 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 90 3.334 4.066 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 90 5.440 3.007 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.020 1.045 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.976 0.928 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.508 2.837 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.702 4.488 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.441 3.422 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.799 0.236 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.058 1.704 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.118 1.822 -2.684 1.00 0.00 H new ATOM 1355 N LYS A 91 6.442 5.064 -1.936 1.00 0.00 N ATOM 1356 CA LYS A 91 7.315 6.221 -1.777 1.00 0.00 C ATOM 1357 C LYS A 91 7.012 7.280 -2.832 1.00 0.00 C ATOM 1358 O LYS A 91 7.165 8.476 -2.584 1.00 0.00 O ATOM 1359 CB LYS A 91 8.782 5.795 -1.873 1.00 0.00 C ATOM 1360 CG LYS A 91 9.183 4.755 -0.841 1.00 0.00 C ATOM 1361 CD LYS A 91 10.581 4.222 -1.101 1.00 0.00 C ATOM 1362 CE LYS A 91 10.870 2.984 -0.265 1.00 0.00 C ATOM 1363 NZ LYS A 91 10.863 3.285 1.193 1.00 0.00 N ATOM 0 H LYS A 91 6.889 4.255 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 91 7.131 6.651 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.971 5.397 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.415 6.674 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.140 5.194 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.470 3.931 -0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.689 3.981 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.315 4.995 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.125 2.218 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.840 2.574 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.114 2.428 1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.555 4.034 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.915 3.604 1.477 1.00 0.00 H new ATOM 1377 N GLN A 92 6.581 6.833 -4.007 1.00 0.00 N ATOM 1378 CA GLN A 92 6.256 7.743 -5.098 1.00 0.00 C ATOM 1379 C GLN A 92 5.169 8.728 -4.680 1.00 0.00 C ATOM 1380 O GLN A 92 3.984 8.505 -4.931 1.00 0.00 O ATOM 1381 CB GLN A 92 5.803 6.957 -6.329 1.00 0.00 C ATOM 1382 CG GLN A 92 6.910 6.133 -6.966 1.00 0.00 C ATOM 1383 CD GLN A 92 7.075 6.421 -8.445 1.00 0.00 C ATOM 1384 OE1 GLN A 92 6.132 6.840 -9.117 1.00 0.00 O ATOM 1385 NE2 GLN A 92 8.278 6.199 -8.961 1.00 0.00 N ATOM 0 H GLN A 92 6.449 5.846 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 92 7.155 8.307 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.985 6.294 -6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.408 7.653 -7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.850 6.336 -6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.694 5.074 -6.828 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.031 5.851 -8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.449 6.376 -9.951 1.00 0.00 H new ATOM 1394 N THR A 93 5.579 9.819 -4.040 1.00 0.00 N ATOM 1395 CA THR A 93 4.641 10.837 -3.585 1.00 0.00 C ATOM 1396 C THR A 93 4.665 12.055 -4.500 1.00 0.00 C ATOM 1397 O THR A 93 5.081 13.140 -4.094 1.00 0.00 O ATOM 1398 CB THR A 93 4.952 11.284 -2.144 1.00 0.00 C ATOM 1399 OG1 THR A 93 6.318 11.702 -2.046 1.00 0.00 O ATOM 1400 CG2 THR A 93 4.689 10.156 -1.158 1.00 0.00 C ATOM 0 H THR A 93 6.556 10.020 -3.825 1.00 0.00 H new ATOM 0 HA THR A 93 3.649 10.387 -3.611 1.00 0.00 H new ATOM 0 HB THR A 93 4.298 12.120 -1.897 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.490 12.414 -2.698 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.916 10.496 -0.147 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.641 9.860 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.321 9.303 -1.404 1.00 0.00 H new ATOM 1408 N SER A 94 4.218 11.869 -5.738 1.00 0.00 N ATOM 1409 CA SER A 94 4.191 12.954 -6.713 1.00 0.00 C ATOM 1410 C SER A 94 2.842 13.014 -7.422 1.00 0.00 C ATOM 1411 O SER A 94 2.314 14.094 -7.683 1.00 0.00 O ATOM 1412 CB SER A 94 5.312 12.773 -7.738 1.00 0.00 C ATOM 1413 OG SER A 94 5.089 11.627 -8.541 1.00 0.00 O ATOM 0 H SER A 94 3.870 10.977 -6.090 1.00 0.00 H new ATOM 0 HA SER A 94 4.343 13.893 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.376 13.658 -8.371 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.268 12.680 -7.223 1.00 0.00 H new ATOM 0 HG SER A 94 5.818 11.535 -9.189 1.00 0.00 H new ATOM 1419 N GLN A 95 2.291 11.844 -7.732 1.00 0.00 N ATOM 1420 CA GLN A 95 1.004 11.764 -8.412 1.00 0.00 C ATOM 1421 C GLN A 95 0.012 10.932 -7.604 1.00 0.00 C ATOM 1422 O GLN A 95 0.330 10.450 -6.516 1.00 0.00 O ATOM 1423 CB GLN A 95 1.177 11.159 -9.806 1.00 0.00 C ATOM 1424 CG GLN A 95 1.825 12.106 -10.804 1.00 0.00 C ATOM 1425 CD GLN A 95 1.256 11.960 -12.201 1.00 0.00 C ATOM 1426 OE1 GLN A 95 1.588 11.020 -12.924 1.00 0.00 O ATOM 1427 NE2 GLN A 95 0.394 12.892 -12.590 1.00 0.00 N ATOM 0 H GLN A 95 2.715 10.940 -7.523 1.00 0.00 H new ATOM 0 HA GLN A 95 0.609 12.775 -8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.783 10.256 -9.729 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.201 10.857 -10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.689 13.133 -10.466 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.899 11.920 -10.832 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.147 13.654 -11.958 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.021 12.846 -13.521 1.00 0.00 H new ATOM 1436 N THR A 96 -1.192 10.767 -8.143 1.00 0.00 N ATOM 1437 CA THR A 96 -2.230 9.996 -7.472 1.00 0.00 C ATOM 1438 C THR A 96 -1.820 8.535 -7.322 1.00 0.00 C ATOM 1439 O THR A 96 -1.288 7.931 -8.254 1.00 0.00 O ATOM 1440 CB THR A 96 -3.565 10.066 -8.237 1.00 0.00 C ATOM 1441 OG1 THR A 96 -3.481 11.043 -9.281 1.00 0.00 O ATOM 1442 CG2 THR A 96 -4.709 10.418 -7.298 1.00 0.00 C ATOM 0 H THR A 96 -1.472 11.157 -9.043 1.00 0.00 H new ATOM 0 HA THR A 96 -2.362 10.437 -6.484 1.00 0.00 H new ATOM 0 HB THR A 96 -3.761 9.086 -8.672 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.333 11.080 -9.764 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.641 10.462 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.789 9.658 -6.521 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.517 11.387 -6.838 1.00 0.00 H new ATOM 1450 N LEU A 97 -2.071 7.973 -6.145 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.728 6.581 -5.873 1.00 0.00 C ATOM 1452 C LEU A 97 -2.976 5.767 -5.545 1.00 0.00 C ATOM 1453 O LEU A 97 -3.667 6.043 -4.565 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.732 6.498 -4.716 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.851 5.268 -3.815 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.595 3.997 -4.610 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.114 5.369 -2.643 1.00 0.00 C ATOM 0 H LEU A 97 -2.511 8.459 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.270 6.163 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.277 6.525 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.848 7.389 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.866 5.228 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.684 3.132 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.326 3.918 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.409 4.029 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.015 4.485 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.136 5.435 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.116 6.259 -2.058 1.00 0.00 H new ATOM 1469 N GLN A 98 -3.255 4.764 -6.371 1.00 0.00 N ATOM 1470 CA GLN A 98 -4.419 3.909 -6.167 1.00 0.00 C ATOM 1471 C GLN A 98 -4.068 2.712 -5.289 1.00 0.00 C ATOM 1472 O GLN A 98 -2.920 2.266 -5.259 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.967 3.428 -7.511 1.00 0.00 C ATOM 1474 CG GLN A 98 -6.427 3.009 -7.459 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.735 1.847 -8.382 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -7.375 2.016 -9.420 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -6.279 0.657 -8.007 1.00 0.00 N ATOM 0 H GLN A 98 -2.692 4.523 -7.187 1.00 0.00 H new ATOM 0 HA GLN A 98 -5.185 4.496 -5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.852 4.224 -8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.368 2.586 -7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.686 2.734 -6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -7.054 3.858 -7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.753 0.563 -7.138 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.455 -0.163 -8.588 1.00 0.00 H new ATOM 1486 N LEU A 99 -5.063 2.196 -4.576 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.859 1.050 -3.697 1.00 0.00 C ATOM 1488 C LEU A 99 -6.044 0.092 -3.768 1.00 0.00 C ATOM 1489 O LEU A 99 -7.200 0.509 -3.686 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.654 1.518 -2.255 1.00 0.00 C ATOM 1491 CG LEU A 99 -3.217 1.863 -1.860 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -3.151 2.275 -0.397 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -2.293 0.683 -2.126 1.00 0.00 C ATOM 0 H LEU A 99 -6.018 2.553 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.966 0.521 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.277 2.397 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.016 0.738 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.884 2.704 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.121 2.517 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.782 3.149 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.502 1.454 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.275 0.946 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.624 -0.177 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.318 0.433 -3.187 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.749 -1.195 -3.920 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.790 -2.214 -4.000 1.00 0.00 C ATOM 1507 C LEU A 100 -6.931 -2.954 -2.674 1.00 0.00 C ATOM 1508 O LEU A 100 -5.951 -3.464 -2.130 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.474 -3.207 -5.120 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.626 -4.110 -5.560 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -8.763 -3.282 -6.139 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.142 -5.136 -6.575 1.00 0.00 C ATOM 0 H LEU A 100 -4.798 -1.557 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.735 -1.716 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.126 -2.647 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.647 -3.839 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.000 -4.641 -4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.574 -3.942 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.128 -2.587 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.403 -2.723 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.975 -5.770 -6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.742 -4.622 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.362 -5.751 -6.127 1.00 0.00 H new ATOM 1524 N ILE A 101 -8.155 -3.010 -2.160 1.00 0.00 N ATOM 1525 CA ILE A 101 -8.424 -3.690 -0.900 1.00 0.00 C ATOM 1526 C ILE A 101 -9.507 -4.750 -1.068 1.00 0.00 C ATOM 1527 O ILE A 101 -10.525 -4.513 -1.717 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.858 -2.698 0.195 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -8.059 -1.398 0.081 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -8.679 -3.317 1.573 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -6.564 -1.594 0.205 1.00 0.00 C ATOM 0 H ILE A 101 -8.976 -2.592 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.493 -4.169 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.914 -2.467 0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.277 -0.930 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.392 -0.707 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.990 -2.603 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -9.288 -4.218 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.630 -3.574 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.062 -0.631 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.334 -2.033 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.217 -2.259 -0.586 1.00 0.00 H new ATOM 1543 N GLU A 102 -9.281 -5.919 -0.476 1.00 0.00 N ATOM 1544 CA GLU A 102 -10.239 -7.015 -0.560 1.00 0.00 C ATOM 1545 C GLU A 102 -11.196 -6.993 0.628 1.00 0.00 C ATOM 1546 O GLU A 102 -10.862 -6.488 1.700 1.00 0.00 O ATOM 1547 CB GLU A 102 -9.507 -8.358 -0.615 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.544 -9.016 -1.984 1.00 0.00 C ATOM 1549 CD GLU A 102 -8.564 -10.167 -2.105 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -7.464 -10.074 -1.522 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -8.898 -11.161 -2.783 1.00 0.00 O ATOM 0 H GLU A 102 -8.444 -6.131 0.066 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.819 -6.888 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.468 -8.208 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.951 -9.034 0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.552 -9.380 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.320 -8.271 -2.747 1.00 0.00 H new ATOM 1558 N HIS A 103 -12.389 -7.545 0.429 1.00 0.00 N ATOM 1559 CA HIS A 103 -13.396 -7.589 1.484 1.00 0.00 C ATOM 1560 C HIS A 103 -13.991 -8.988 1.609 1.00 0.00 C ATOM 1561 O HIS A 103 -14.637 -9.483 0.685 1.00 0.00 O ATOM 1562 CB HIS A 103 -14.505 -6.574 1.202 1.00 0.00 C ATOM 1563 CG HIS A 103 -14.098 -5.155 1.458 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -14.581 -4.412 2.514 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -13.245 -4.344 0.788 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -14.046 -3.205 2.481 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -13.231 -3.138 1.444 1.00 0.00 N ATOM 0 H HIS A 103 -12.682 -7.968 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.911 -7.334 2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -14.820 -6.671 0.163 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -15.370 -6.812 1.821 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.247 -4.743 3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.681 -4.598 -0.097 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -14.242 -2.408 3.183 1.00 0.00 H new