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 42 TYR OH : rot 180:sc=-0.00126 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 21 MET CE :methyl -160:sc= -0.0323 (180deg=-0.146) 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 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0112) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.031) 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) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.72) USER MOD Single : A 62 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.41) USER MOD Single : A 65 HIS : no HE2:sc= -2.3! C(o=-2.3!,f=-3.6!) USER MOD Single : A 74 ASN : amide:sc= -0.706 K(o=-0.71,f=0.044) USER MOD Single : A 76 THR OG1 : rot 56:sc= 1.18 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc=-0.00215 X(o=-0.0021,f=-0.055) USER MOD Single : A 93 THR OG1 : rot 59:sc= 0.49 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.93) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 103 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -16.316 -8.516 -1.376 1.00 0.00 N ATOM 183 CA SER A 15 -16.325 -7.250 -2.099 1.00 0.00 C ATOM 184 C SER A 15 -14.950 -6.591 -2.057 1.00 0.00 C ATOM 185 O SER A 15 -14.151 -6.852 -1.157 1.00 0.00 O ATOM 186 CB SER A 15 -17.374 -6.307 -1.507 1.00 0.00 C ATOM 187 OG SER A 15 -17.886 -5.429 -2.495 1.00 0.00 O ATOM 0 HA SER A 15 -16.578 -7.456 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.189 -6.889 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.931 -5.729 -0.696 1.00 0.00 H new ATOM 0 HG SER A 15 -18.556 -4.838 -2.092 1.00 0.00 H new ATOM 193 N VAL A 16 -14.681 -5.733 -3.036 1.00 0.00 N ATOM 194 CA VAL A 16 -13.404 -5.034 -3.111 1.00 0.00 C ATOM 195 C VAL A 16 -13.590 -3.530 -2.949 1.00 0.00 C ATOM 196 O VAL A 16 -14.706 -3.017 -3.044 1.00 0.00 O ATOM 197 CB VAL A 16 -12.691 -5.311 -4.448 1.00 0.00 C ATOM 198 CG1 VAL A 16 -11.743 -6.493 -4.314 1.00 0.00 C ATOM 199 CG2 VAL A 16 -13.707 -5.554 -5.553 1.00 0.00 C ATOM 0 H VAL A 16 -15.331 -5.505 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.788 -5.411 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.102 -4.433 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.249 -6.673 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.994 -6.274 -3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.306 -7.380 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.186 -5.748 -6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.325 -6.415 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.340 -4.674 -5.665 1.00 0.00 H new ATOM 209 N THR A 17 -12.490 -2.826 -2.703 1.00 0.00 N ATOM 210 CA THR A 17 -12.531 -1.380 -2.526 1.00 0.00 C ATOM 211 C THR A 17 -11.295 -0.717 -3.124 1.00 0.00 C ATOM 212 O THR A 17 -10.186 -1.245 -3.027 1.00 0.00 O ATOM 213 CB THR A 17 -12.634 -0.999 -1.037 1.00 0.00 C ATOM 214 OG1 THR A 17 -13.885 -1.444 -0.503 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.505 0.506 -0.854 1.00 0.00 C ATOM 0 H THR A 17 -11.559 -3.234 -2.622 1.00 0.00 H new ATOM 0 HA THR A 17 -13.419 -1.023 -3.047 1.00 0.00 H new ATOM 0 HB THR A 17 -11.818 -1.486 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.942 -1.199 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.581 0.752 0.205 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.539 0.837 -1.235 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.303 1.009 -1.401 1.00 0.00 H new ATOM 223 N LEU A 18 -11.492 0.442 -3.743 1.00 0.00 N ATOM 224 CA LEU A 18 -10.392 1.178 -4.357 1.00 0.00 C ATOM 225 C LEU A 18 -10.289 2.585 -3.778 1.00 0.00 C ATOM 226 O LEU A 18 -11.274 3.141 -3.293 1.00 0.00 O ATOM 227 CB LEU A 18 -10.585 1.250 -5.873 1.00 0.00 C ATOM 228 CG LEU A 18 -9.307 1.329 -6.709 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.388 0.160 -6.390 1.00 0.00 C ATOM 230 CD2 LEU A 18 -9.642 1.358 -8.193 1.00 0.00 C ATOM 0 H LEU A 18 -12.403 0.892 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.465 0.647 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.149 0.372 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.198 2.122 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.786 2.253 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.484 0.233 -6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.121 0.185 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.899 -0.776 -6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.721 1.414 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.185 0.452 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.261 2.229 -8.409 1.00 0.00 H new ATOM 242 N ILE A 19 -9.090 3.156 -3.836 1.00 0.00 N ATOM 243 CA ILE A 19 -8.859 4.499 -3.320 1.00 0.00 C ATOM 244 C ILE A 19 -7.890 5.271 -4.210 1.00 0.00 C ATOM 245 O ILE A 19 -6.724 4.900 -4.342 1.00 0.00 O ATOM 246 CB ILE A 19 -8.303 4.464 -1.885 1.00 0.00 C ATOM 247 CG1 ILE A 19 -7.333 3.292 -1.719 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.440 4.364 -0.878 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.976 2.055 -1.131 1.00 0.00 C ATOM 0 H ILE A 19 -8.264 2.709 -4.235 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.825 5.004 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.760 5.390 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.907 3.043 -2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.507 3.602 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.031 4.340 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.096 5.228 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.009 3.452 -1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.230 1.265 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.378 2.288 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.783 1.720 -1.782 1.00 0.00 H new ATOM 261 N SER A 20 -8.381 6.346 -4.817 1.00 0.00 N ATOM 262 CA SER A 20 -7.559 7.170 -5.696 1.00 0.00 C ATOM 263 C SER A 20 -7.222 8.502 -5.035 1.00 0.00 C ATOM 264 O SER A 20 -8.032 9.428 -5.032 1.00 0.00 O ATOM 265 CB SER A 20 -8.281 7.414 -7.023 1.00 0.00 C ATOM 266 OG SER A 20 -9.640 7.020 -6.944 1.00 0.00 O ATOM 0 H SER A 20 -9.344 6.667 -4.717 1.00 0.00 H new ATOM 0 HA SER A 20 -6.629 6.635 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.220 8.470 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.784 6.859 -7.819 1.00 0.00 H new ATOM 0 HG SER A 20 -10.080 7.188 -7.804 1.00 0.00 H new ATOM 272 N MET A 21 -6.020 8.590 -4.474 1.00 0.00 N ATOM 273 CA MET A 21 -5.575 9.810 -3.810 1.00 0.00 C ATOM 274 C MET A 21 -4.280 10.325 -4.431 1.00 0.00 C ATOM 275 O MET A 21 -3.408 9.556 -4.836 1.00 0.00 O ATOM 276 CB MET A 21 -5.371 9.556 -2.315 1.00 0.00 C ATOM 277 CG MET A 21 -5.699 8.134 -1.889 1.00 0.00 C ATOM 278 SD MET A 21 -5.373 7.840 -0.141 1.00 0.00 S ATOM 279 CE MET A 21 -4.706 6.179 -0.196 1.00 0.00 C ATOM 0 H MET A 21 -5.338 7.832 -4.466 1.00 0.00 H new ATOM 0 HA MET A 21 -6.347 10.568 -3.941 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.335 9.774 -2.056 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.994 10.249 -1.749 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.749 7.929 -2.098 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.113 7.436 -2.486 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.786 5.722 0.790 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.267 5.585 -0.917 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.658 6.217 -0.495 1.00 0.00 H new ATOM 289 N PRO A 22 -4.149 11.658 -4.509 1.00 0.00 N ATOM 290 CA PRO A 22 -2.964 12.305 -5.079 1.00 0.00 C ATOM 291 C PRO A 22 -1.731 12.137 -4.197 1.00 0.00 C ATOM 292 O PRO A 22 -1.829 11.686 -3.056 1.00 0.00 O ATOM 293 CB PRO A 22 -3.368 13.779 -5.158 1.00 0.00 C ATOM 294 CG PRO A 22 -4.409 13.943 -4.105 1.00 0.00 C ATOM 295 CD PRO A 22 -5.148 12.635 -4.045 1.00 0.00 C ATOM 0 HA PRO A 22 -2.687 11.873 -6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.515 14.433 -4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.759 14.030 -6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.956 14.180 -3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.085 14.762 -4.349 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.489 12.412 -3.034 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.031 12.642 -4.685 1.00 0.00 H new ATOM 303 N ALA A 23 -0.572 12.504 -4.733 1.00 0.00 N ATOM 304 CA ALA A 23 0.680 12.396 -3.993 1.00 0.00 C ATOM 305 C ALA A 23 0.931 13.644 -3.154 1.00 0.00 C ATOM 306 O ALA A 23 0.048 14.489 -2.998 1.00 0.00 O ATOM 307 CB ALA A 23 1.839 12.159 -4.950 1.00 0.00 C ATOM 0 H ALA A 23 -0.474 12.879 -5.677 1.00 0.00 H new ATOM 0 HA ALA A 23 0.602 11.545 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.768 12.080 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.671 11.235 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.910 12.992 -5.649 1.00 0.00 H new ATOM 391 N ARG A 29 5.163 9.721 3.669 1.00 0.00 N ATOM 392 CA ARG A 29 3.908 9.114 3.245 1.00 0.00 C ATOM 393 C ARG A 29 2.862 9.196 4.353 1.00 0.00 C ATOM 394 O ARG A 29 3.076 9.846 5.375 1.00 0.00 O ATOM 395 CB ARG A 29 4.132 7.654 2.847 1.00 0.00 C ATOM 396 CG ARG A 29 5.335 7.016 3.522 1.00 0.00 C ATOM 397 CD ARG A 29 6.626 7.350 2.791 1.00 0.00 C ATOM 398 NE ARG A 29 7.686 6.390 3.084 1.00 0.00 N ATOM 399 CZ ARG A 29 8.972 6.616 2.838 1.00 0.00 C ATOM 400 NH1 ARG A 29 9.354 7.764 2.297 1.00 0.00 N ATOM 401 NH2 ARG A 29 9.877 5.692 3.134 1.00 0.00 N ATOM 0 HA ARG A 29 3.540 9.667 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.240 7.078 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.260 7.596 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.400 7.361 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.204 5.934 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.440 7.368 1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.954 8.350 3.074 1.00 0.00 H new ATOM 0 HE ARG A 29 7.425 5.496 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.660 8.476 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.342 7.935 2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.586 4.808 3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.864 5.866 2.945 1.00 0.00 H new ATOM 415 N GLY A 30 1.730 8.531 4.142 1.00 0.00 N ATOM 416 CA GLY A 30 0.668 8.542 5.131 1.00 0.00 C ATOM 417 C GLY A 30 0.420 7.172 5.730 1.00 0.00 C ATOM 418 O GLY A 30 -0.411 7.019 6.627 1.00 0.00 O ATOM 0 H GLY A 30 1.530 7.985 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.924 9.242 5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.250 8.905 4.670 1.00 0.00 H new ATOM 422 N PHE A 31 1.139 6.171 5.234 1.00 0.00 N ATOM 423 CA PHE A 31 0.991 4.806 5.724 1.00 0.00 C ATOM 424 C PHE A 31 2.192 3.952 5.327 1.00 0.00 C ATOM 425 O PHE A 31 3.098 4.418 4.637 1.00 0.00 O ATOM 426 CB PHE A 31 -0.295 4.182 5.177 1.00 0.00 C ATOM 427 CG PHE A 31 -0.259 3.936 3.696 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.248 4.997 2.804 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.236 2.644 3.195 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.216 4.773 1.441 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.204 2.414 1.832 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.193 3.480 0.954 1.00 0.00 C ATOM 0 H PHE A 31 1.831 6.280 4.492 1.00 0.00 H new ATOM 0 HA PHE A 31 0.936 4.841 6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.478 3.238 5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.134 4.838 5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.265 6.010 3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.243 1.807 3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.209 5.608 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.188 1.402 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.166 3.303 -0.111 1.00 0.00 H new ATOM 442 N SER A 32 2.191 2.698 5.770 1.00 0.00 N ATOM 443 CA SER A 32 3.282 1.780 5.466 1.00 0.00 C ATOM 444 C SER A 32 2.743 0.415 5.050 1.00 0.00 C ATOM 445 O SER A 32 1.567 0.111 5.251 1.00 0.00 O ATOM 446 CB SER A 32 4.203 1.629 6.678 1.00 0.00 C ATOM 447 OG SER A 32 4.063 2.726 7.565 1.00 0.00 O ATOM 0 H SER A 32 1.447 2.295 6.340 1.00 0.00 H new ATOM 0 HA SER A 32 3.852 2.195 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.971 0.702 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.238 1.556 6.345 1.00 0.00 H new ATOM 0 HG SER A 32 4.661 2.605 8.332 1.00 0.00 H new ATOM 453 N VAL A 33 3.612 -0.406 4.468 1.00 0.00 N ATOM 454 CA VAL A 33 3.225 -1.739 4.024 1.00 0.00 C ATOM 455 C VAL A 33 4.370 -2.730 4.198 1.00 0.00 C ATOM 456 O VAL A 33 5.535 -2.397 3.976 1.00 0.00 O ATOM 457 CB VAL A 33 2.786 -1.734 2.548 1.00 0.00 C ATOM 458 CG1 VAL A 33 1.839 -0.575 2.276 1.00 0.00 C ATOM 459 CG2 VAL A 33 3.998 -1.668 1.632 1.00 0.00 C ATOM 0 H VAL A 33 4.589 -0.171 4.293 1.00 0.00 H new ATOM 0 HA VAL A 33 2.384 -2.047 4.645 1.00 0.00 H new ATOM 0 HB VAL A 33 2.254 -2.663 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.540 -0.588 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.955 -0.671 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.342 0.366 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.669 -1.665 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.560 -0.757 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.635 -2.535 1.809 1.00 0.00 H new ATOM 469 N THR A 34 4.032 -3.953 4.597 1.00 0.00 N ATOM 470 CA THR A 34 5.032 -4.993 4.803 1.00 0.00 C ATOM 471 C THR A 34 5.286 -5.773 3.517 1.00 0.00 C ATOM 472 O THR A 34 4.368 -6.012 2.733 1.00 0.00 O ATOM 473 CB THR A 34 4.601 -5.975 5.909 1.00 0.00 C ATOM 474 OG1 THR A 34 4.972 -5.460 7.192 1.00 0.00 O ATOM 475 CG2 THR A 34 5.241 -7.340 5.700 1.00 0.00 C ATOM 0 H THR A 34 3.073 -4.247 4.784 1.00 0.00 H new ATOM 0 HA THR A 34 5.951 -4.493 5.109 1.00 0.00 H new ATOM 0 HB THR A 34 3.518 -6.088 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.693 -6.089 7.890 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.922 -8.017 6.493 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.934 -7.742 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.326 -7.240 5.723 1.00 0.00 H new ATOM 483 N VAL A 35 6.538 -6.168 3.308 1.00 0.00 N ATOM 484 CA VAL A 35 6.913 -6.922 2.118 1.00 0.00 C ATOM 485 C VAL A 35 7.477 -8.289 2.489 1.00 0.00 C ATOM 486 O VAL A 35 8.558 -8.388 3.068 1.00 0.00 O ATOM 487 CB VAL A 35 7.953 -6.161 1.276 1.00 0.00 C ATOM 488 CG1 VAL A 35 8.687 -7.114 0.345 1.00 0.00 C ATOM 489 CG2 VAL A 35 7.286 -5.043 0.489 1.00 0.00 C ATOM 0 H VAL A 35 7.310 -5.978 3.948 1.00 0.00 H new ATOM 0 HA VAL A 35 6.006 -7.054 1.528 1.00 0.00 H new ATOM 0 HB VAL A 35 8.684 -5.714 1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.418 -6.558 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.198 -7.876 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.972 -7.592 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.036 -4.516 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.533 -5.465 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.811 -4.346 1.179 1.00 0.00 H new ATOM 499 N GLU A 36 6.736 -9.340 2.151 1.00 0.00 N ATOM 500 CA GLU A 36 7.163 -10.702 2.450 1.00 0.00 C ATOM 501 C GLU A 36 7.574 -11.435 1.176 1.00 0.00 C ATOM 502 O GLU A 36 6.747 -11.692 0.301 1.00 0.00 O ATOM 503 CB GLU A 36 6.042 -11.470 3.154 1.00 0.00 C ATOM 504 CG GLU A 36 5.666 -10.891 4.508 1.00 0.00 C ATOM 505 CD GLU A 36 6.754 -11.082 5.546 1.00 0.00 C ATOM 506 OE1 GLU A 36 7.106 -12.247 5.828 1.00 0.00 O ATOM 507 OE2 GLU A 36 7.253 -10.068 6.077 1.00 0.00 O ATOM 0 H GLU A 36 5.839 -9.275 1.671 1.00 0.00 H new ATOM 0 HA GLU A 36 8.027 -10.647 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.160 -11.477 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.350 -12.507 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.456 -9.827 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.748 -11.363 4.858 1.00 0.00 H new ATOM 514 N SER A 37 8.857 -11.768 1.079 1.00 0.00 N ATOM 515 CA SER A 37 9.380 -12.467 -0.089 1.00 0.00 C ATOM 516 C SER A 37 9.574 -13.951 0.208 1.00 0.00 C ATOM 517 O SER A 37 9.916 -14.332 1.327 1.00 0.00 O ATOM 518 CB SER A 37 10.706 -11.846 -0.531 1.00 0.00 C ATOM 519 OG SER A 37 11.766 -12.781 -0.431 1.00 0.00 O ATOM 0 H SER A 37 9.554 -11.565 1.796 1.00 0.00 H new ATOM 0 HA SER A 37 8.654 -12.367 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.622 -11.496 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.926 -10.975 0.086 1.00 0.00 H new ATOM 0 HG SER A 37 12.602 -12.360 -0.721 1.00 0.00 H new ATOM 571 N TYR A 42 11.721 -11.415 -5.279 1.00 0.00 N ATOM 572 CA TYR A 42 10.446 -11.019 -5.863 1.00 0.00 C ATOM 573 C TYR A 42 9.342 -11.015 -4.810 1.00 0.00 C ATOM 574 O TYR A 42 9.285 -11.895 -3.951 1.00 0.00 O ATOM 575 CB TYR A 42 10.071 -11.961 -7.008 1.00 0.00 C ATOM 576 CG TYR A 42 8.949 -12.914 -6.665 1.00 0.00 C ATOM 577 CD1 TYR A 42 9.078 -13.824 -5.623 1.00 0.00 C ATOM 578 CD2 TYR A 42 7.759 -12.906 -7.384 1.00 0.00 C ATOM 579 CE1 TYR A 42 8.056 -14.698 -5.306 1.00 0.00 C ATOM 580 CE2 TYR A 42 6.731 -13.775 -7.073 1.00 0.00 C ATOM 581 CZ TYR A 42 6.884 -14.669 -6.034 1.00 0.00 C ATOM 582 OH TYR A 42 5.863 -15.537 -5.722 1.00 0.00 O ATOM 0 HA TYR A 42 10.553 -10.007 -6.254 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.780 -11.368 -7.875 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.950 -12.537 -7.296 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.994 -13.849 -5.051 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.636 -12.209 -8.199 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.174 -15.400 -4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.812 -13.754 -7.641 1.00 0.00 H new ATOM 0 HH TYR A 42 5.108 -15.386 -6.329 1.00 0.00 H new ATOM 592 N ALA A 43 8.465 -10.019 -4.884 1.00 0.00 N ATOM 593 CA ALA A 43 7.360 -9.902 -3.940 1.00 0.00 C ATOM 594 C ALA A 43 6.280 -10.939 -4.228 1.00 0.00 C ATOM 595 O ALA A 43 6.244 -11.532 -5.307 1.00 0.00 O ATOM 596 CB ALA A 43 6.773 -8.499 -3.987 1.00 0.00 C ATOM 0 H ALA A 43 8.498 -9.282 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 43 7.748 -10.089 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.949 -8.425 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.543 -7.773 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.406 -8.292 -4.992 1.00 0.00 H new ATOM 602 N THR A 44 5.401 -11.156 -3.255 1.00 0.00 N ATOM 603 CA THR A 44 4.321 -12.123 -3.402 1.00 0.00 C ATOM 604 C THR A 44 3.162 -11.800 -2.466 1.00 0.00 C ATOM 605 O THR A 44 1.997 -11.845 -2.864 1.00 0.00 O ATOM 606 CB THR A 44 4.808 -13.557 -3.121 1.00 0.00 C ATOM 607 OG1 THR A 44 3.715 -14.476 -3.225 1.00 0.00 O ATOM 608 CG2 THR A 44 5.429 -13.655 -1.736 1.00 0.00 C ATOM 0 H THR A 44 5.416 -10.674 -2.356 1.00 0.00 H new ATOM 0 HA THR A 44 3.979 -12.059 -4.435 1.00 0.00 H new ATOM 0 HB THR A 44 5.566 -13.811 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.034 -15.385 -3.046 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.766 -14.677 -1.560 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.279 -12.976 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.688 -13.383 -0.985 1.00 0.00 H new ATOM 616 N THR A 45 3.487 -11.473 -1.219 1.00 0.00 N ATOM 617 CA THR A 45 2.473 -11.143 -0.226 1.00 0.00 C ATOM 618 C THR A 45 2.652 -9.720 0.291 1.00 0.00 C ATOM 619 O THR A 45 3.775 -9.235 0.425 1.00 0.00 O ATOM 620 CB THR A 45 2.515 -12.119 0.965 1.00 0.00 C ATOM 621 OG1 THR A 45 1.996 -13.394 0.572 1.00 0.00 O ATOM 622 CG2 THR A 45 1.709 -11.577 2.137 1.00 0.00 C ATOM 0 H THR A 45 4.446 -11.430 -0.873 1.00 0.00 H new ATOM 0 HA THR A 45 1.506 -11.227 -0.722 1.00 0.00 H new ATOM 0 HB THR A 45 3.553 -12.231 1.279 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.028 -14.009 1.334 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.753 -12.283 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.124 -10.620 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.672 -11.439 1.832 1.00 0.00 H new ATOM 630 N VAL A 46 1.538 -9.056 0.580 1.00 0.00 N ATOM 631 CA VAL A 46 1.572 -7.688 1.084 1.00 0.00 C ATOM 632 C VAL A 46 0.503 -7.468 2.149 1.00 0.00 C ATOM 633 O VAL A 46 -0.642 -7.891 1.989 1.00 0.00 O ATOM 634 CB VAL A 46 1.369 -6.667 -0.050 1.00 0.00 C ATOM 635 CG1 VAL A 46 0.991 -5.307 0.517 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.622 -6.567 -0.907 1.00 0.00 C ATOM 0 H VAL A 46 0.600 -9.443 0.474 1.00 0.00 H new ATOM 0 HA VAL A 46 2.557 -7.538 1.526 1.00 0.00 H new ATOM 0 HB VAL A 46 0.550 -7.010 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.852 -4.598 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.064 -5.394 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.786 -4.953 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.461 -5.841 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.461 -6.247 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.843 -7.541 -1.343 1.00 0.00 H new ATOM 646 N GLN A 47 0.885 -6.803 3.234 1.00 0.00 N ATOM 647 CA GLN A 47 -0.042 -6.527 4.326 1.00 0.00 C ATOM 648 C GLN A 47 0.154 -5.112 4.861 1.00 0.00 C ATOM 649 O GLN A 47 1.277 -4.694 5.142 1.00 0.00 O ATOM 650 CB GLN A 47 0.148 -7.543 5.454 1.00 0.00 C ATOM 651 CG GLN A 47 1.483 -7.414 6.169 1.00 0.00 C ATOM 652 CD GLN A 47 1.598 -8.344 7.361 1.00 0.00 C ATOM 653 OE1 GLN A 47 1.108 -8.040 8.449 1.00 0.00 O ATOM 654 NE2 GLN A 47 2.248 -9.485 7.162 1.00 0.00 N ATOM 0 H GLN A 47 1.829 -6.445 3.381 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.057 -6.612 3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.657 -7.423 6.179 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.060 -8.549 5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.289 -7.628 5.467 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.615 -6.384 6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.638 -9.696 6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.357 -10.150 7.928 1.00 0.00 H new ATOM 663 N VAL A 48 -0.947 -4.379 4.999 1.00 0.00 N ATOM 664 CA VAL A 48 -0.896 -3.012 5.501 1.00 0.00 C ATOM 665 C VAL A 48 -0.527 -2.982 6.980 1.00 0.00 C ATOM 666 O VAL A 48 -1.361 -3.254 7.845 1.00 0.00 O ATOM 667 CB VAL A 48 -2.244 -2.292 5.305 1.00 0.00 C ATOM 668 CG1 VAL A 48 -2.172 -0.869 5.840 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.643 -2.299 3.837 1.00 0.00 C ATOM 0 H VAL A 48 -1.884 -4.710 4.770 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.128 -2.493 4.928 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.008 -2.828 5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.133 -0.376 5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.935 -0.892 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.397 -0.319 5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.597 -1.786 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.880 -1.788 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.738 -3.328 3.491 1.00 0.00 H new ATOM 679 N LYS A 49 0.728 -2.651 7.265 1.00 0.00 N ATOM 680 CA LYS A 49 1.209 -2.584 8.640 1.00 0.00 C ATOM 681 C LYS A 49 0.362 -1.621 9.466 1.00 0.00 C ATOM 682 O LYS A 49 -0.392 -2.041 10.343 1.00 0.00 O ATOM 683 CB LYS A 49 2.674 -2.144 8.668 1.00 0.00 C ATOM 684 CG LYS A 49 3.459 -2.717 9.835 1.00 0.00 C ATOM 685 CD LYS A 49 4.949 -2.758 9.539 1.00 0.00 C ATOM 686 CE LYS A 49 5.699 -1.680 10.307 1.00 0.00 C ATOM 687 NZ LYS A 49 5.261 -0.312 9.913 1.00 0.00 N ATOM 0 H LYS A 49 1.431 -2.425 6.561 1.00 0.00 H new ATOM 0 HA LYS A 49 1.126 -3.579 9.077 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.153 -2.445 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.717 -1.056 8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.281 -2.114 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.103 -3.724 10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.347 -3.738 9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.113 -2.625 8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.540 -1.818 11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.769 -1.784 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.842 0.395 10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.373 -0.194 8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.262 -0.180 10.170 1.00 0.00 H new ATOM 701 N GLU A 50 0.491 -0.330 9.178 1.00 0.00 N ATOM 702 CA GLU A 50 -0.264 0.691 9.896 1.00 0.00 C ATOM 703 C GLU A 50 -0.877 1.697 8.925 1.00 0.00 C ATOM 704 O GLU A 50 -0.722 1.577 7.710 1.00 0.00 O ATOM 705 CB GLU A 50 0.639 1.416 10.896 1.00 0.00 C ATOM 706 CG GLU A 50 1.470 0.478 11.756 1.00 0.00 C ATOM 707 CD GLU A 50 1.854 1.095 13.087 1.00 0.00 C ATOM 708 OE1 GLU A 50 1.230 2.105 13.475 1.00 0.00 O ATOM 709 OE2 GLU A 50 2.779 0.568 13.740 1.00 0.00 O ATOM 0 H GLU A 50 1.110 0.034 8.454 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.070 0.197 10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.307 2.084 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.023 2.039 11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.909 -0.440 11.933 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.374 0.199 11.214 1.00 0.00 H new ATOM 716 N VAL A 51 -1.573 2.689 9.471 1.00 0.00 N ATOM 717 CA VAL A 51 -2.209 3.716 8.656 1.00 0.00 C ATOM 718 C VAL A 51 -2.384 5.011 9.441 1.00 0.00 C ATOM 719 O VAL A 51 -3.044 5.035 10.479 1.00 0.00 O ATOM 720 CB VAL A 51 -3.584 3.252 8.139 1.00 0.00 C ATOM 721 CG1 VAL A 51 -4.083 4.178 7.041 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.509 1.815 7.644 1.00 0.00 C ATOM 0 H VAL A 51 -1.711 2.803 10.475 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.552 3.896 7.805 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.295 3.292 8.964 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.055 3.834 6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.177 5.190 7.434 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.375 4.174 6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.489 1.503 7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.784 1.747 6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.200 1.164 8.462 1.00 0.00 H new ATOM 732 N ASN A 52 -1.789 6.087 8.937 1.00 0.00 N ATOM 733 CA ASN A 52 -1.880 7.387 9.592 1.00 0.00 C ATOM 734 C ASN A 52 -2.997 8.227 8.981 1.00 0.00 C ATOM 735 O ASN A 52 -3.017 8.470 7.774 1.00 0.00 O ATOM 736 CB ASN A 52 -0.548 8.132 9.480 1.00 0.00 C ATOM 737 CG ASN A 52 0.179 8.220 10.808 1.00 0.00 C ATOM 738 OD1 ASN A 52 -0.336 8.783 11.774 1.00 0.00 O ATOM 739 ND2 ASN A 52 1.383 7.662 10.861 1.00 0.00 N ATOM 0 H ASN A 52 -1.239 6.085 8.078 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.109 7.220 10.645 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.088 7.626 8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.728 9.138 9.100 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.920 7.690 11.728 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.771 7.206 10.035 1.00 0.00 H new ATOM 746 N ARG A 53 -3.926 8.669 9.823 1.00 0.00 N ATOM 747 CA ARG A 53 -5.047 9.481 9.367 1.00 0.00 C ATOM 748 C ARG A 53 -4.637 10.944 9.228 1.00 0.00 C ATOM 749 O ARG A 53 -5.286 11.716 8.522 1.00 0.00 O ATOM 750 CB ARG A 53 -6.222 9.360 10.340 1.00 0.00 C ATOM 751 CG ARG A 53 -6.476 7.938 10.813 1.00 0.00 C ATOM 752 CD ARG A 53 -7.860 7.794 11.426 1.00 0.00 C ATOM 753 NE ARG A 53 -8.182 6.402 11.731 1.00 0.00 N ATOM 754 CZ ARG A 53 -9.235 6.032 12.451 1.00 0.00 C ATOM 755 NH1 ARG A 53 -10.063 6.946 12.938 1.00 0.00 N ATOM 756 NH2 ARG A 53 -9.461 4.746 12.686 1.00 0.00 N ATOM 0 H ARG A 53 -3.924 8.478 10.825 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.355 9.113 8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.032 9.994 11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.123 9.740 9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.376 7.251 9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.721 7.657 11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.916 8.387 12.339 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.604 8.196 10.739 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.564 5.674 11.371 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.892 7.936 12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.871 6.659 13.491 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.826 4.040 12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.270 4.463 13.239 1.00 0.00 H new ATOM 770 N MET A 54 -3.557 11.318 9.906 1.00 0.00 N ATOM 771 CA MET A 54 -3.060 12.688 9.857 1.00 0.00 C ATOM 772 C MET A 54 -2.476 13.006 8.484 1.00 0.00 C ATOM 773 O MET A 54 -2.124 14.151 8.198 1.00 0.00 O ATOM 774 CB MET A 54 -2.001 12.909 10.938 1.00 0.00 C ATOM 775 CG MET A 54 -2.517 13.672 12.147 1.00 0.00 C ATOM 776 SD MET A 54 -4.137 13.098 12.691 1.00 0.00 S ATOM 777 CE MET A 54 -3.708 11.528 13.438 1.00 0.00 C ATOM 0 H MET A 54 -3.009 10.692 10.496 1.00 0.00 H new ATOM 0 HA MET A 54 -3.900 13.359 10.039 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.620 11.942 11.265 1.00 0.00 H new ATOM 0 HB3 MET A 54 -1.161 13.453 10.506 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.806 13.570 12.967 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.574 14.733 11.905 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.609 11.050 13.823 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.246 10.883 12.690 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.007 11.694 14.256 1.00 0.00 H new ATOM 787 N HIS A 55 -2.376 11.986 7.638 1.00 0.00 N ATOM 788 CA HIS A 55 -1.834 12.157 6.294 1.00 0.00 C ATOM 789 C HIS A 55 -2.872 11.787 5.239 1.00 0.00 C ATOM 790 O HIS A 55 -2.869 12.331 4.134 1.00 0.00 O ATOM 791 CB HIS A 55 -0.579 11.303 6.115 1.00 0.00 C ATOM 792 CG HIS A 55 0.696 12.061 6.320 1.00 0.00 C ATOM 793 ND1 HIS A 55 1.233 12.308 7.565 1.00 0.00 N ATOM 794 CD2 HIS A 55 1.543 12.627 5.428 1.00 0.00 C ATOM 795 CE1 HIS A 55 2.354 12.994 7.431 1.00 0.00 C ATOM 796 NE2 HIS A 55 2.565 13.200 6.144 1.00 0.00 N ATOM 0 H HIS A 55 -2.663 11.032 7.859 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.570 13.207 6.166 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.613 10.470 6.817 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.581 10.875 5.112 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.435 12.628 4.353 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.990 13.329 8.237 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.358 13.703 5.746 1.00 0.00 H new ATOM 805 N ILE A 56 -3.756 10.858 5.586 1.00 0.00 N ATOM 806 CA ILE A 56 -4.799 10.416 4.669 1.00 0.00 C ATOM 807 C ILE A 56 -6.125 11.106 4.969 1.00 0.00 C ATOM 808 O ILE A 56 -6.550 11.181 6.122 1.00 0.00 O ATOM 809 CB ILE A 56 -5.000 8.890 4.738 1.00 0.00 C ATOM 810 CG1 ILE A 56 -3.680 8.167 4.459 1.00 0.00 C ATOM 811 CG2 ILE A 56 -6.070 8.451 3.750 1.00 0.00 C ATOM 812 CD1 ILE A 56 -3.754 6.672 4.677 1.00 0.00 C ATOM 0 H ILE A 56 -3.771 10.397 6.496 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.471 10.686 3.665 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.332 8.627 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.379 8.362 3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.904 8.582 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.200 7.371 3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.012 8.944 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.766 8.723 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.784 6.224 4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.025 6.468 5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.507 6.244 4.014 1.00 0.00 H new ATOM 824 N SER A 57 -6.774 11.608 3.924 1.00 0.00 N ATOM 825 CA SER A 57 -8.052 12.295 4.076 1.00 0.00 C ATOM 826 C SER A 57 -9.089 11.377 4.717 1.00 0.00 C ATOM 827 O SER A 57 -8.994 10.151 4.653 1.00 0.00 O ATOM 828 CB SER A 57 -8.557 12.783 2.717 1.00 0.00 C ATOM 829 OG SER A 57 -7.910 13.983 2.333 1.00 0.00 O ATOM 0 H SER A 57 -6.437 11.552 2.963 1.00 0.00 H new ATOM 0 HA SER A 57 -7.900 13.154 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.382 12.015 1.964 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.634 12.945 2.763 1.00 0.00 H new ATOM 0 HG SER A 57 -8.249 14.273 1.460 1.00 0.00 H new ATOM 835 N PRO A 58 -10.103 11.984 5.351 1.00 0.00 N ATOM 836 CA PRO A 58 -11.178 11.242 6.016 1.00 0.00 C ATOM 837 C PRO A 58 -12.093 10.533 5.024 1.00 0.00 C ATOM 838 O PRO A 58 -12.977 9.772 5.415 1.00 0.00 O ATOM 839 CB PRO A 58 -11.947 12.330 6.770 1.00 0.00 C ATOM 840 CG PRO A 58 -11.674 13.582 6.009 1.00 0.00 C ATOM 841 CD PRO A 58 -10.279 13.441 5.467 1.00 0.00 C ATOM 0 HA PRO A 58 -10.790 10.452 6.659 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.014 12.111 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.607 12.412 7.802 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.395 13.713 5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.755 14.457 6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.171 13.937 4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.541 13.883 6.137 1.00 0.00 H new ATOM 849 N ASN A 59 -11.874 10.787 3.738 1.00 0.00 N ATOM 850 CA ASN A 59 -12.680 10.173 2.689 1.00 0.00 C ATOM 851 C ASN A 59 -12.012 8.908 2.161 1.00 0.00 C ATOM 852 O ASN A 59 -12.685 7.945 1.793 1.00 0.00 O ATOM 853 CB ASN A 59 -12.903 11.162 1.543 1.00 0.00 C ATOM 854 CG ASN A 59 -14.201 10.904 0.801 1.00 0.00 C ATOM 855 OD1 ASN A 59 -15.230 11.510 1.100 1.00 0.00 O ATOM 856 ND2 ASN A 59 -14.156 10.001 -0.171 1.00 0.00 N ATOM 0 H ASN A 59 -11.145 11.414 3.397 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.644 9.902 3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.910 12.177 1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.069 11.098 0.844 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.997 9.785 -0.705 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.280 9.524 -0.383 1.00 0.00 H new ATOM 863 N ASN A 60 -10.683 8.917 2.126 1.00 0.00 N ATOM 864 CA ASN A 60 -9.924 7.770 1.642 1.00 0.00 C ATOM 865 C ASN A 60 -9.684 6.764 2.764 1.00 0.00 C ATOM 866 O ASN A 60 -9.899 5.564 2.593 1.00 0.00 O ATOM 867 CB ASN A 60 -8.586 8.227 1.058 1.00 0.00 C ATOM 868 CG ASN A 60 -8.735 9.428 0.144 1.00 0.00 C ATOM 869 OD1 ASN A 60 -7.950 10.375 0.211 1.00 0.00 O ATOM 870 ND2 ASN A 60 -9.746 9.394 -0.717 1.00 0.00 N ATOM 0 H ASN A 60 -10.110 9.705 2.427 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.507 7.284 0.860 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.903 8.475 1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.135 7.405 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.897 10.173 -1.358 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.372 8.589 -0.737 1.00 0.00 H new ATOM 877 N ARG A 61 -9.237 7.262 3.913 1.00 0.00 N ATOM 878 CA ARG A 61 -8.967 6.408 5.063 1.00 0.00 C ATOM 879 C ARG A 61 -10.115 5.429 5.294 1.00 0.00 C ATOM 880 O ARG A 61 -9.906 4.314 5.770 1.00 0.00 O ATOM 881 CB ARG A 61 -8.747 7.258 6.316 1.00 0.00 C ATOM 882 CG ARG A 61 -9.475 6.733 7.543 1.00 0.00 C ATOM 883 CD ARG A 61 -10.955 7.078 7.502 1.00 0.00 C ATOM 884 NE ARG A 61 -11.433 7.589 8.784 1.00 0.00 N ATOM 885 CZ ARG A 61 -10.963 8.692 9.357 1.00 0.00 C ATOM 886 NH1 ARG A 61 -10.008 9.395 8.764 1.00 0.00 N ATOM 887 NH2 ARG A 61 -11.449 9.093 10.524 1.00 0.00 N ATOM 0 H ARG A 61 -9.054 8.253 4.072 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.062 5.837 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.679 7.305 6.530 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.078 8.277 6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.354 5.651 7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.026 7.155 8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.132 7.823 6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.527 6.191 7.229 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.168 7.071 9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.633 9.090 7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.649 10.241 9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.184 8.555 10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.088 9.940 10.963 1.00 0.00 H new ATOM 901 N ASN A 62 -11.327 5.856 4.954 1.00 0.00 N ATOM 902 CA ASN A 62 -12.508 5.017 5.125 1.00 0.00 C ATOM 903 C ASN A 62 -12.288 3.636 4.515 1.00 0.00 C ATOM 904 O ASN A 62 -12.400 2.619 5.199 1.00 0.00 O ATOM 905 CB ASN A 62 -13.728 5.682 4.485 1.00 0.00 C ATOM 906 CG ASN A 62 -14.682 6.255 5.515 1.00 0.00 C ATOM 907 OD1 ASN A 62 -14.955 5.630 6.540 1.00 0.00 O ATOM 908 ND2 ASN A 62 -15.194 7.451 5.247 1.00 0.00 N ATOM 0 H ASN A 62 -11.517 6.777 4.559 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.687 4.897 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.396 6.478 3.819 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.256 4.952 3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.841 7.887 5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.940 7.933 4.385 1.00 0.00 H new ATOM 915 N ALA A 63 -11.974 3.609 3.224 1.00 0.00 N ATOM 916 CA ALA A 63 -11.736 2.354 2.522 1.00 0.00 C ATOM 917 C ALA A 63 -10.610 1.563 3.178 1.00 0.00 C ATOM 918 O ALA A 63 -10.857 0.612 3.919 1.00 0.00 O ATOM 919 CB ALA A 63 -11.414 2.620 1.059 1.00 0.00 C ATOM 0 H ALA A 63 -11.879 4.442 2.643 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.646 1.756 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.239 1.674 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.252 3.136 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.521 3.241 0.990 1.00 0.00 H new ATOM 925 N ILE A 64 -9.373 1.963 2.900 1.00 0.00 N ATOM 926 CA ILE A 64 -8.209 1.291 3.464 1.00 0.00 C ATOM 927 C ILE A 64 -8.280 1.253 4.987 1.00 0.00 C ATOM 928 O ILE A 64 -9.231 1.755 5.588 1.00 0.00 O ATOM 929 CB ILE A 64 -6.900 1.982 3.040 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.758 0.965 2.976 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.559 3.109 4.003 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.826 1.175 1.804 1.00 0.00 C ATOM 0 H ILE A 64 -9.152 2.748 2.288 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.215 0.272 3.077 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.038 2.409 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.183 1.018 3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.179 -0.039 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.631 3.587 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.364 3.844 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.437 2.705 5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.042 0.418 1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.387 1.093 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.376 2.166 1.870 1.00 0.00 H new ATOM 944 N HIS A 65 -7.267 0.657 5.607 1.00 0.00 N ATOM 945 CA HIS A 65 -7.213 0.556 7.061 1.00 0.00 C ATOM 946 C HIS A 65 -6.108 -0.401 7.499 1.00 0.00 C ATOM 947 O HIS A 65 -5.679 -1.277 6.748 1.00 0.00 O ATOM 948 CB HIS A 65 -8.559 0.083 7.611 1.00 0.00 C ATOM 949 CG HIS A 65 -9.237 1.093 8.485 1.00 0.00 C ATOM 950 ND1 HIS A 65 -9.213 2.448 8.228 1.00 0.00 N ATOM 951 CD2 HIS A 65 -9.961 0.940 9.619 1.00 0.00 C ATOM 952 CE1 HIS A 65 -9.892 3.084 9.167 1.00 0.00 C ATOM 953 NE2 HIS A 65 -10.356 2.191 10.022 1.00 0.00 N ATOM 0 H HIS A 65 -6.472 0.237 5.125 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.992 1.546 7.461 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.216 -0.164 6.777 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.408 -0.834 8.180 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.745 2.890 7.437 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.186 0.007 10.114 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.042 4.152 9.225 1.00 0.00 H new ATOM 962 N PRO A 66 -5.635 -0.230 8.742 1.00 0.00 N ATOM 963 CA PRO A 66 -4.574 -1.069 9.307 1.00 0.00 C ATOM 964 C PRO A 66 -5.042 -2.495 9.576 1.00 0.00 C ATOM 965 O PRO A 66 -5.856 -2.733 10.468 1.00 0.00 O ATOM 966 CB PRO A 66 -4.226 -0.364 10.621 1.00 0.00 C ATOM 967 CG PRO A 66 -5.463 0.380 10.990 1.00 0.00 C ATOM 968 CD PRO A 66 -6.100 0.794 9.692 1.00 0.00 C ATOM 0 HA PRO A 66 -3.730 -1.171 8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.950 -1.081 11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.380 0.312 10.496 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.137 -0.248 11.573 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.227 1.249 11.604 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.187 0.810 9.765 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.786 1.793 9.391 1.00 0.00 H new ATOM 976 N GLY A 67 -4.523 -3.440 8.799 1.00 0.00 N ATOM 977 CA GLY A 67 -4.901 -4.831 8.969 1.00 0.00 C ATOM 978 C GLY A 67 -5.471 -5.437 7.702 1.00 0.00 C ATOM 979 O GLY A 67 -5.706 -6.643 7.634 1.00 0.00 O ATOM 0 H GLY A 67 -3.847 -3.268 8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.029 -5.405 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.638 -4.909 9.768 1.00 0.00 H new ATOM 983 N ASP A 68 -5.697 -4.598 6.697 1.00 0.00 N ATOM 984 CA ASP A 68 -6.245 -5.057 5.426 1.00 0.00 C ATOM 985 C ASP A 68 -5.133 -5.527 4.493 1.00 0.00 C ATOM 986 O ASP A 68 -3.986 -5.094 4.611 1.00 0.00 O ATOM 987 CB ASP A 68 -7.049 -3.940 4.759 1.00 0.00 C ATOM 988 CG ASP A 68 -8.147 -3.403 5.655 1.00 0.00 C ATOM 989 OD1 ASP A 68 -7.822 -2.860 6.732 1.00 0.00 O ATOM 990 OD2 ASP A 68 -9.332 -3.527 5.281 1.00 0.00 O ATOM 0 H ASP A 68 -5.509 -3.596 6.738 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.907 -5.899 5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.377 -3.127 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.489 -4.315 3.835 1.00 0.00 H new ATOM 995 N ARG A 69 -5.479 -6.416 3.568 1.00 0.00 N ATOM 996 CA ARG A 69 -4.510 -6.947 2.617 1.00 0.00 C ATOM 997 C ARG A 69 -4.692 -6.309 1.243 1.00 0.00 C ATOM 998 O ARG A 69 -5.814 -6.018 0.826 1.00 0.00 O ATOM 999 CB ARG A 69 -4.650 -8.466 2.509 1.00 0.00 C ATOM 1000 CG ARG A 69 -5.935 -8.913 1.832 1.00 0.00 C ATOM 1001 CD ARG A 69 -6.634 -10.005 2.627 1.00 0.00 C ATOM 1002 NE ARG A 69 -5.897 -11.265 2.590 1.00 0.00 N ATOM 1003 CZ ARG A 69 -6.286 -12.363 3.229 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -7.399 -12.355 3.950 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -5.562 -13.472 3.147 1.00 0.00 N ATOM 0 H ARG A 69 -6.424 -6.784 3.457 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.511 -6.706 2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.800 -8.862 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.607 -8.898 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.604 -8.060 1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.711 -9.278 0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.749 -9.683 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.636 -10.159 2.227 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.037 -11.304 2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.959 -11.505 4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.696 -13.199 4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.706 -13.482 2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.862 -14.314 3.638 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.582 -6.094 0.545 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.619 -5.491 -0.782 1.00 0.00 C ATOM 1021 C ILE A 70 -3.275 -6.513 -1.860 1.00 0.00 C ATOM 1022 O ILE A 70 -2.448 -7.401 -1.647 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.646 -4.302 -0.887 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.789 -3.388 0.331 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -2.897 -3.525 -2.171 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -1.777 -2.265 0.366 1.00 0.00 C ATOM 0 H ILE A 70 -2.646 -6.328 0.876 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.636 -5.132 -0.937 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.626 -4.687 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.792 -2.962 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.688 -3.985 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.202 -2.688 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.749 -4.182 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.920 -3.148 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.938 -1.658 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.771 -2.683 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.892 -1.644 -0.522 1.00 0.00 H new ATOM 1038 N LEU A 71 -3.912 -6.382 -3.018 1.00 0.00 N ATOM 1039 CA LEU A 71 -3.672 -7.293 -4.131 1.00 0.00 C ATOM 1040 C LEU A 71 -2.971 -6.575 -5.280 1.00 0.00 C ATOM 1041 O LEU A 71 -2.273 -7.198 -6.080 1.00 0.00 O ATOM 1042 CB LEU A 71 -4.992 -7.892 -4.619 1.00 0.00 C ATOM 1043 CG LEU A 71 -6.121 -7.955 -3.590 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -7.455 -8.207 -4.276 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -5.840 -9.035 -2.555 1.00 0.00 C ATOM 0 H LEU A 71 -4.599 -5.653 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.024 -8.096 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.338 -7.310 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.798 -8.903 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.174 -6.994 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.247 -8.249 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.661 -7.399 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.414 -9.154 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.654 -9.065 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.759 -10.002 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.905 -8.812 -2.041 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.160 -5.261 -5.355 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.544 -4.460 -6.405 1.00 0.00 C ATOM 1059 C GLU A 72 -2.261 -3.043 -5.913 1.00 0.00 C ATOM 1060 O GLU A 72 -3.038 -2.475 -5.145 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.450 -4.412 -7.638 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.956 -5.776 -8.074 1.00 0.00 C ATOM 1063 CD GLU A 72 -4.970 -5.690 -9.199 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -4.643 -5.099 -10.249 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -6.090 -6.214 -9.028 1.00 0.00 O ATOM 0 H GLU A 72 -3.735 -4.729 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.598 -4.928 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.303 -3.768 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.903 -3.956 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.112 -6.386 -8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.408 -6.282 -7.221 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.144 -2.480 -6.361 1.00 0.00 N ATOM 1073 CA ILE A 73 -0.758 -1.131 -5.968 1.00 0.00 C ATOM 1074 C ILE A 73 -0.610 -0.224 -7.185 1.00 0.00 C ATOM 1075 O ILE A 73 0.257 -0.441 -8.031 1.00 0.00 O ATOM 1076 CB ILE A 73 0.564 -1.131 -5.177 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.319 -1.568 -3.731 1.00 0.00 C ATOM 1078 CG2 ILE A 73 1.205 0.248 -5.218 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.590 -1.745 -2.930 1.00 0.00 C ATOM 0 H ILE A 73 -0.490 -2.937 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.554 -0.749 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 73 1.248 -1.842 -5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.311 -0.828 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.234 -2.507 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.138 0.232 -4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.410 0.523 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.527 0.978 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.340 -2.055 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.213 -2.506 -3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.134 -0.801 -2.897 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.461 0.794 -7.265 1.00 0.00 N ATOM 1092 CA ASN A 74 -1.423 1.735 -8.378 1.00 0.00 C ATOM 1093 C ASN A 74 -1.914 1.076 -9.664 1.00 0.00 C ATOM 1094 O ASN A 74 -1.655 1.566 -10.763 1.00 0.00 O ATOM 1095 CB ASN A 74 -0.003 2.268 -8.575 1.00 0.00 C ATOM 1096 CG ASN A 74 0.080 3.772 -8.398 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -0.352 4.535 -9.262 1.00 0.00 O ATOM 1098 ND2 ASN A 74 0.638 4.205 -7.273 1.00 0.00 N ATOM 0 H ASN A 74 -2.185 0.988 -6.573 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.086 2.567 -8.140 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.666 1.784 -7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.347 2.002 -9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.722 5.206 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.983 3.536 -6.584 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.626 -0.037 -9.518 1.00 0.00 N ATOM 1106 CA GLY A 75 -3.142 -0.745 -10.675 1.00 0.00 C ATOM 1107 C GLY A 75 -2.156 -1.756 -11.224 1.00 0.00 C ATOM 1108 O GLY A 75 -2.101 -1.989 -12.432 1.00 0.00 O ATOM 0 H GLY A 75 -2.855 -0.461 -8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.066 -1.255 -10.403 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.392 -0.026 -11.455 1.00 0.00 H new ATOM 1112 N THR A 76 -1.373 -2.359 -10.335 1.00 0.00 N ATOM 1113 CA THR A 76 -0.381 -3.349 -10.738 1.00 0.00 C ATOM 1114 C THR A 76 -0.342 -4.517 -9.758 1.00 0.00 C ATOM 1115 O THR A 76 -0.541 -4.356 -8.554 1.00 0.00 O ATOM 1116 CB THR A 76 1.025 -2.728 -10.836 1.00 0.00 C ATOM 1117 OG1 THR A 76 1.039 -1.445 -10.201 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.453 -2.586 -12.288 1.00 0.00 C ATOM 0 H THR A 76 -1.406 -2.179 -9.331 1.00 0.00 H new ATOM 0 HA THR A 76 -0.678 -3.713 -11.722 1.00 0.00 H new ATOM 0 HB THR A 76 1.727 -3.390 -10.330 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.739 -1.536 -9.273 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.449 -2.145 -12.332 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.470 -3.568 -12.760 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.748 -1.942 -12.814 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.078 -5.722 -10.284 1.00 0.00 N ATOM 1127 CA PRO A 77 -0.004 -6.941 -9.473 1.00 0.00 C ATOM 1128 C PRO A 77 1.221 -6.960 -8.565 1.00 0.00 C ATOM 1129 O PRO A 77 2.357 -6.982 -9.039 1.00 0.00 O ATOM 1130 CB PRO A 77 0.086 -8.057 -10.516 1.00 0.00 C ATOM 1131 CG PRO A 77 0.676 -7.405 -11.719 1.00 0.00 C ATOM 1132 CD PRO A 77 0.170 -5.988 -11.711 1.00 0.00 C ATOM 0 HA PRO A 77 -0.857 -7.035 -8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.711 -8.878 -10.164 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.897 -8.475 -10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.765 -7.431 -11.683 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.375 -7.922 -12.630 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.903 -5.297 -12.127 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.739 -5.883 -12.303 1.00 0.00 H new ATOM 1140 N VAL A 78 0.983 -6.951 -7.257 1.00 0.00 N ATOM 1141 CA VAL A 78 2.067 -6.969 -6.282 1.00 0.00 C ATOM 1142 C VAL A 78 2.711 -8.349 -6.202 1.00 0.00 C ATOM 1143 O VAL A 78 3.779 -8.513 -5.611 1.00 0.00 O ATOM 1144 CB VAL A 78 1.570 -6.564 -4.882 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.886 -5.206 -4.930 1.00 0.00 C ATOM 1146 CG2 VAL A 78 0.631 -7.623 -4.324 1.00 0.00 C ATOM 0 H VAL A 78 0.049 -6.931 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 78 2.808 -6.244 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 78 2.431 -6.487 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.541 -4.937 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.592 -4.455 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.034 -5.252 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.289 -7.321 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.228 -7.733 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.158 -8.574 -4.251 1.00 0.00 H new ATOM 1156 N ARG A 79 2.055 -9.338 -6.800 1.00 0.00 N ATOM 1157 CA ARG A 79 2.563 -10.704 -6.796 1.00 0.00 C ATOM 1158 C ARG A 79 3.722 -10.856 -7.776 1.00 0.00 C ATOM 1159 O ARG A 79 4.678 -11.588 -7.517 1.00 0.00 O ATOM 1160 CB ARG A 79 1.446 -11.687 -7.152 1.00 0.00 C ATOM 1161 CG ARG A 79 0.834 -11.443 -8.522 1.00 0.00 C ATOM 1162 CD ARG A 79 -0.534 -12.095 -8.645 1.00 0.00 C ATOM 1163 NE ARG A 79 -0.471 -13.369 -9.355 1.00 0.00 N ATOM 1164 CZ ARG A 79 -0.147 -14.520 -8.775 1.00 0.00 C ATOM 1165 NH1 ARG A 79 0.140 -14.555 -7.481 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -0.111 -15.638 -9.488 1.00 0.00 N ATOM 0 H ARG A 79 1.170 -9.218 -7.293 1.00 0.00 H new ATOM 0 HA ARG A 79 2.927 -10.927 -5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.842 -12.702 -7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.663 -11.623 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.744 -10.371 -8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.496 -11.836 -9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.950 -12.255 -7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.211 -11.421 -9.170 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.688 -13.376 -10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.112 -13.698 -6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.388 -15.439 -7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.332 -15.615 -10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.138 -16.520 -9.041 1.00 0.00 H new ATOM 1180 N THR A 80 3.630 -10.161 -8.906 1.00 0.00 N ATOM 1181 CA THR A 80 4.669 -10.219 -9.926 1.00 0.00 C ATOM 1182 C THR A 80 5.677 -9.089 -9.751 1.00 0.00 C ATOM 1183 O THR A 80 6.831 -9.203 -10.164 1.00 0.00 O ATOM 1184 CB THR A 80 4.070 -10.143 -11.343 1.00 0.00 C ATOM 1185 OG1 THR A 80 3.695 -8.794 -11.644 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.856 -11.051 -11.467 1.00 0.00 C ATOM 0 H THR A 80 2.846 -9.551 -9.137 1.00 0.00 H new ATOM 0 HA THR A 80 5.177 -11.176 -9.805 1.00 0.00 H new ATOM 0 HB THR A 80 4.827 -10.477 -12.052 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.317 -8.753 -12.547 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.450 -10.980 -12.476 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.150 -12.081 -11.265 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.096 -10.743 -10.748 1.00 0.00 H new ATOM 1194 N LEU A 81 5.233 -7.998 -9.136 1.00 0.00 N ATOM 1195 CA LEU A 81 6.098 -6.846 -8.905 1.00 0.00 C ATOM 1196 C LEU A 81 7.176 -7.171 -7.876 1.00 0.00 C ATOM 1197 O LEU A 81 6.880 -7.655 -6.783 1.00 0.00 O ATOM 1198 CB LEU A 81 5.270 -5.649 -8.431 1.00 0.00 C ATOM 1199 CG LEU A 81 4.581 -4.834 -9.526 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.971 -3.568 -8.945 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.565 -4.494 -10.636 1.00 0.00 C ATOM 0 H LEU A 81 4.280 -7.887 -8.789 1.00 0.00 H new ATOM 0 HA LEU A 81 6.585 -6.594 -9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.508 -6.010 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.922 -4.983 -7.866 1.00 0.00 H new ATOM 0 HG LEU A 81 3.779 -5.437 -9.951 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.485 -3.001 -9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.235 -3.834 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.755 -2.961 -8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.058 -3.914 -11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.389 -3.910 -10.226 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.954 -5.414 -11.072 1.00 0.00 H new ATOM 1213 N ARG A 82 8.427 -6.901 -8.233 1.00 0.00 N ATOM 1214 CA ARG A 82 9.550 -7.164 -7.341 1.00 0.00 C ATOM 1215 C ARG A 82 9.419 -6.361 -6.050 1.00 0.00 C ATOM 1216 O ARG A 82 8.497 -5.560 -5.896 1.00 0.00 O ATOM 1217 CB ARG A 82 10.871 -6.823 -8.034 1.00 0.00 C ATOM 1218 CG ARG A 82 11.080 -7.565 -9.344 1.00 0.00 C ATOM 1219 CD ARG A 82 11.675 -8.945 -9.115 1.00 0.00 C ATOM 1220 NE ARG A 82 12.636 -9.306 -10.154 1.00 0.00 N ATOM 1221 CZ ARG A 82 13.906 -8.918 -10.146 1.00 0.00 C ATOM 1222 NH1 ARG A 82 14.366 -8.160 -9.160 1.00 0.00 N ATOM 1223 NH2 ARG A 82 14.720 -9.288 -11.127 1.00 0.00 N ATOM 0 H ARG A 82 8.689 -6.500 -9.134 1.00 0.00 H new ATOM 0 HA ARG A 82 9.542 -8.225 -7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.906 -5.750 -8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.696 -7.054 -7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.127 -7.660 -9.865 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.740 -6.986 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.166 -8.971 -8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.875 -9.685 -9.088 1.00 0.00 H new ATOM 0 HE ARG A 82 12.314 -9.888 -10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.744 -7.873 -8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.342 -7.864 -9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.370 -9.871 -11.888 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.695 -8.990 -11.120 1.00 0.00 H new ATOM 1237 N VAL A 83 10.347 -6.582 -5.125 1.00 0.00 N ATOM 1238 CA VAL A 83 10.335 -5.879 -3.847 1.00 0.00 C ATOM 1239 C VAL A 83 10.466 -4.374 -4.048 1.00 0.00 C ATOM 1240 O VAL A 83 9.563 -3.612 -3.705 1.00 0.00 O ATOM 1241 CB VAL A 83 11.473 -6.365 -2.929 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.445 -5.619 -1.604 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.374 -7.866 -2.707 1.00 0.00 C ATOM 0 H VAL A 83 11.117 -7.242 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 83 9.378 -6.098 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 83 12.425 -6.155 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.256 -5.975 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.568 -4.551 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.491 -5.795 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.186 -8.192 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.418 -8.103 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.448 -8.381 -3.665 1.00 0.00 H new ATOM 1253 N GLU A 84 11.597 -3.952 -4.605 1.00 0.00 N ATOM 1254 CA GLU A 84 11.845 -2.536 -4.850 1.00 0.00 C ATOM 1255 C GLU A 84 10.641 -1.881 -5.520 1.00 0.00 C ATOM 1256 O GLU A 84 10.428 -0.676 -5.393 1.00 0.00 O ATOM 1257 CB GLU A 84 13.089 -2.358 -5.724 1.00 0.00 C ATOM 1258 CG GLU A 84 12.871 -2.743 -7.178 1.00 0.00 C ATOM 1259 CD GLU A 84 13.315 -1.660 -8.141 1.00 0.00 C ATOM 1260 OE1 GLU A 84 14.529 -1.576 -8.421 1.00 0.00 O ATOM 1261 OE2 GLU A 84 12.448 -0.896 -8.615 1.00 0.00 O ATOM 0 H GLU A 84 12.355 -4.570 -4.895 1.00 0.00 H new ATOM 0 HA GLU A 84 12.012 -2.050 -3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.410 -1.318 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.900 -2.961 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.418 -3.661 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.814 -2.956 -7.339 1.00 0.00 H new ATOM 1268 N GLU A 85 9.858 -2.684 -6.233 1.00 0.00 N ATOM 1269 CA GLU A 85 8.676 -2.181 -6.924 1.00 0.00 C ATOM 1270 C GLU A 85 7.541 -1.917 -5.939 1.00 0.00 C ATOM 1271 O GLU A 85 6.997 -0.814 -5.882 1.00 0.00 O ATOM 1272 CB GLU A 85 8.219 -3.179 -7.990 1.00 0.00 C ATOM 1273 CG GLU A 85 8.715 -2.847 -9.387 1.00 0.00 C ATOM 1274 CD GLU A 85 7.816 -1.860 -10.107 1.00 0.00 C ATOM 1275 OE1 GLU A 85 7.583 -0.762 -9.559 1.00 0.00 O ATOM 1276 OE2 GLU A 85 7.344 -2.186 -11.216 1.00 0.00 O ATOM 0 H GLU A 85 10.020 -3.684 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 85 8.941 -1.240 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.568 -4.175 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.130 -3.214 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.722 -2.435 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.783 -3.764 -9.972 1.00 0.00 H new ATOM 1283 N VAL A 86 7.189 -2.938 -5.163 1.00 0.00 N ATOM 1284 CA VAL A 86 6.120 -2.817 -4.180 1.00 0.00 C ATOM 1285 C VAL A 86 6.425 -1.718 -3.168 1.00 0.00 C ATOM 1286 O VAL A 86 5.521 -1.179 -2.531 1.00 0.00 O ATOM 1287 CB VAL A 86 5.895 -4.143 -3.429 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.580 -4.108 -2.665 1.00 0.00 C ATOM 1289 CG2 VAL A 86 5.927 -5.315 -4.398 1.00 0.00 C ATOM 0 H VAL A 86 7.629 -3.858 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 86 5.214 -2.560 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 86 6.702 -4.274 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.438 -5.053 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.601 -3.292 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.757 -3.954 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.766 -6.244 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.141 -5.192 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.896 -5.350 -4.895 1.00 0.00 H new ATOM 1299 N GLU A 87 7.706 -1.392 -3.026 1.00 0.00 N ATOM 1300 CA GLU A 87 8.131 -0.357 -2.091 1.00 0.00 C ATOM 1301 C GLU A 87 8.155 1.011 -2.767 1.00 0.00 C ATOM 1302 O GLU A 87 7.600 1.981 -2.249 1.00 0.00 O ATOM 1303 CB GLU A 87 9.516 -0.684 -1.528 1.00 0.00 C ATOM 1304 CG GLU A 87 9.477 -1.560 -0.287 1.00 0.00 C ATOM 1305 CD GLU A 87 10.064 -0.872 0.931 1.00 0.00 C ATOM 1306 OE1 GLU A 87 10.020 0.375 0.987 1.00 0.00 O ATOM 1307 OE2 GLU A 87 10.567 -1.581 1.827 1.00 0.00 O ATOM 0 H GLU A 87 8.467 -1.829 -3.546 1.00 0.00 H new ATOM 0 HA GLU A 87 7.412 -0.326 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.103 -1.185 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.031 0.247 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.445 -1.842 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.027 -2.481 -0.480 1.00 0.00 H new ATOM 1314 N ASP A 88 8.801 1.081 -3.925 1.00 0.00 N ATOM 1315 CA ASP A 88 8.897 2.329 -4.673 1.00 0.00 C ATOM 1316 C ASP A 88 7.518 2.946 -4.881 1.00 0.00 C ATOM 1317 O ASP A 88 7.368 4.167 -4.884 1.00 0.00 O ATOM 1318 CB ASP A 88 9.570 2.087 -6.025 1.00 0.00 C ATOM 1319 CG ASP A 88 11.061 2.359 -5.987 1.00 0.00 C ATOM 1320 OD1 ASP A 88 11.800 1.540 -5.402 1.00 0.00 O ATOM 1321 OD2 ASP A 88 11.490 3.392 -6.543 1.00 0.00 O ATOM 0 H ASP A 88 9.266 0.288 -4.367 1.00 0.00 H new ATOM 0 HA ASP A 88 9.503 3.025 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.400 1.055 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.106 2.725 -6.778 1.00 0.00 H new ATOM 1326 N ALA A 89 6.514 2.093 -5.054 1.00 0.00 N ATOM 1327 CA ALA A 89 5.147 2.554 -5.262 1.00 0.00 C ATOM 1328 C ALA A 89 4.692 3.455 -4.119 1.00 0.00 C ATOM 1329 O ALA A 89 4.065 4.491 -4.344 1.00 0.00 O ATOM 1330 CB ALA A 89 4.206 1.367 -5.407 1.00 0.00 C ATOM 0 H ALA A 89 6.622 1.079 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 89 5.123 3.138 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.189 1.726 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.511 0.763 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.243 0.761 -4.502 1.00 0.00 H new ATOM 1336 N ILE A 90 5.011 3.054 -2.893 1.00 0.00 N ATOM 1337 CA ILE A 90 4.636 3.827 -1.715 1.00 0.00 C ATOM 1338 C ILE A 90 5.410 5.139 -1.648 1.00 0.00 C ATOM 1339 O ILE A 90 4.828 6.221 -1.724 1.00 0.00 O ATOM 1340 CB ILE A 90 4.881 3.032 -0.419 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.549 1.553 -0.631 1.00 0.00 C ATOM 1342 CG2 ILE A 90 4.054 3.608 0.721 1.00 0.00 C ATOM 1343 CD1 ILE A 90 3.215 1.324 -1.306 1.00 0.00 C ATOM 0 H ILE A 90 5.528 2.199 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 90 3.571 4.041 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 90 5.935 3.114 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.335 1.095 -1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.550 1.047 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.238 3.035 1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.335 4.648 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.996 3.554 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.046 0.254 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.420 1.752 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.216 1.801 -2.286 1.00 0.00 H new ATOM 1355 N LYS A 91 6.727 5.035 -1.507 1.00 0.00 N ATOM 1356 CA LYS A 91 7.584 6.213 -1.433 1.00 0.00 C ATOM 1357 C LYS A 91 7.338 7.140 -2.619 1.00 0.00 C ATOM 1358 O LYS A 91 7.689 8.319 -2.579 1.00 0.00 O ATOM 1359 CB LYS A 91 9.056 5.796 -1.394 1.00 0.00 C ATOM 1360 CG LYS A 91 9.433 4.795 -2.472 1.00 0.00 C ATOM 1361 CD LYS A 91 10.353 3.713 -1.931 1.00 0.00 C ATOM 1362 CE LYS A 91 11.619 3.590 -2.764 1.00 0.00 C ATOM 1363 NZ LYS A 91 12.789 4.220 -2.092 1.00 0.00 N ATOM 0 H LYS A 91 7.225 4.147 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 91 7.341 6.752 -0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.679 6.684 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.277 5.366 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.530 4.337 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.924 5.313 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.617 3.941 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.828 2.758 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.831 2.537 -2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.462 4.060 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.632 4.115 -2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.598 5.231 -1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.955 3.755 -1.177 1.00 0.00 H new ATOM 1377 N GLN A 92 6.732 6.599 -3.671 1.00 0.00 N ATOM 1378 CA GLN A 92 6.440 7.380 -4.868 1.00 0.00 C ATOM 1379 C GLN A 92 5.372 8.432 -4.584 1.00 0.00 C ATOM 1380 O GLN A 92 4.194 8.233 -4.881 1.00 0.00 O ATOM 1381 CB GLN A 92 5.979 6.462 -6.001 1.00 0.00 C ATOM 1382 CG GLN A 92 7.085 6.101 -6.979 1.00 0.00 C ATOM 1383 CD GLN A 92 6.842 6.660 -8.367 1.00 0.00 C ATOM 1384 OE1 GLN A 92 6.479 7.826 -8.524 1.00 0.00 O ATOM 1385 NE2 GLN A 92 7.040 5.829 -9.384 1.00 0.00 N ATOM 0 H GLN A 92 6.434 5.625 -3.719 1.00 0.00 H new ATOM 0 HA GLN A 92 7.355 7.889 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.571 5.547 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.169 6.948 -6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.036 6.477 -6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.172 5.016 -7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.341 4.870 -9.208 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.891 6.149 -10.341 1.00 0.00 H new ATOM 1394 N THR A 93 5.793 9.553 -4.006 1.00 0.00 N ATOM 1395 CA THR A 93 4.873 10.636 -3.680 1.00 0.00 C ATOM 1396 C THR A 93 4.894 11.717 -4.755 1.00 0.00 C ATOM 1397 O THR A 93 5.322 12.844 -4.508 1.00 0.00 O ATOM 1398 CB THR A 93 5.215 11.274 -2.321 1.00 0.00 C ATOM 1399 OG1 THR A 93 6.552 11.788 -2.343 1.00 0.00 O ATOM 1400 CG2 THR A 93 5.076 10.259 -1.196 1.00 0.00 C ATOM 0 H THR A 93 6.765 9.734 -3.754 1.00 0.00 H new ATOM 0 HA THR A 93 3.876 10.198 -3.627 1.00 0.00 H new ATOM 0 HB THR A 93 4.515 12.090 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.633 12.457 -3.054 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.323 10.733 -0.246 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.051 9.891 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.755 9.425 -1.373 1.00 0.00 H new ATOM 1408 N SER A 94 4.427 11.366 -5.950 1.00 0.00 N ATOM 1409 CA SER A 94 4.395 12.306 -7.064 1.00 0.00 C ATOM 1410 C SER A 94 3.062 12.228 -7.802 1.00 0.00 C ATOM 1411 O SER A 94 2.425 13.248 -8.064 1.00 0.00 O ATOM 1412 CB SER A 94 5.544 12.021 -8.032 1.00 0.00 C ATOM 1413 OG SER A 94 5.205 12.405 -9.354 1.00 0.00 O ATOM 0 H SER A 94 4.066 10.438 -6.171 1.00 0.00 H new ATOM 0 HA SER A 94 4.510 13.313 -6.662 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.436 12.559 -7.711 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.787 10.959 -8.010 1.00 0.00 H new ATOM 0 HG SER A 94 5.957 12.214 -9.953 1.00 0.00 H new ATOM 1419 N GLN A 95 2.647 11.009 -8.135 1.00 0.00 N ATOM 1420 CA GLN A 95 1.391 10.797 -8.844 1.00 0.00 C ATOM 1421 C GLN A 95 0.321 10.253 -7.903 1.00 0.00 C ATOM 1422 O GLN A 95 0.544 10.124 -6.699 1.00 0.00 O ATOM 1423 CB GLN A 95 1.597 9.833 -10.013 1.00 0.00 C ATOM 1424 CG GLN A 95 2.325 10.456 -11.194 1.00 0.00 C ATOM 1425 CD GLN A 95 1.461 10.531 -12.438 1.00 0.00 C ATOM 1426 OE1 GLN A 95 0.641 9.648 -12.692 1.00 0.00 O ATOM 1427 NE2 GLN A 95 1.641 11.588 -13.221 1.00 0.00 N ATOM 0 H GLN A 95 3.162 10.154 -7.925 1.00 0.00 H new ATOM 0 HA GLN A 95 1.054 11.759 -9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.161 8.968 -9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.626 9.467 -10.347 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.655 11.459 -10.924 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.220 9.874 -11.412 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.332 12.296 -12.972 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.088 11.692 -14.072 1.00 0.00 H new ATOM 1436 N THR A 96 -0.844 9.935 -8.461 1.00 0.00 N ATOM 1437 CA THR A 96 -1.949 9.406 -7.672 1.00 0.00 C ATOM 1438 C THR A 96 -1.641 8.002 -7.165 1.00 0.00 C ATOM 1439 O THR A 96 -1.418 7.082 -7.953 1.00 0.00 O ATOM 1440 CB THR A 96 -3.255 9.370 -8.489 1.00 0.00 C ATOM 1441 OG1 THR A 96 -3.031 9.913 -9.795 1.00 0.00 O ATOM 1442 CG2 THR A 96 -4.354 10.155 -7.789 1.00 0.00 C ATOM 0 H THR A 96 -1.046 10.035 -9.456 1.00 0.00 H new ATOM 0 HA THR A 96 -2.079 10.075 -6.821 1.00 0.00 H new ATOM 0 HB THR A 96 -3.573 8.331 -8.578 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.865 9.885 -10.308 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.266 10.115 -8.385 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.543 9.721 -6.807 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.042 11.193 -7.673 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.631 7.844 -5.846 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.350 6.550 -5.233 1.00 0.00 C ATOM 1452 C LEU A 97 -2.632 5.742 -5.055 1.00 0.00 C ATOM 1453 O LEU A 97 -3.443 6.034 -4.177 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.663 6.743 -3.880 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.308 5.464 -3.120 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.143 4.299 -4.082 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.958 5.666 -2.300 1.00 0.00 C ATOM 0 H LEU A 97 -1.814 8.595 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.684 5.998 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.252 7.314 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.312 7.349 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.125 5.230 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.109 3.398 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.075 4.140 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.655 4.522 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.196 4.746 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.784 5.925 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.802 6.472 -1.583 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.806 4.725 -5.893 1.00 0.00 N ATOM 1470 CA GLN A 98 -3.988 3.875 -5.827 1.00 0.00 C ATOM 1471 C GLN A 98 -3.717 2.630 -4.989 1.00 0.00 C ATOM 1472 O GLN A 98 -2.603 2.104 -4.982 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.432 3.471 -7.234 1.00 0.00 C ATOM 1474 CG GLN A 98 -5.754 4.091 -7.657 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.223 3.597 -9.011 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -5.814 2.531 -9.472 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -7.086 4.372 -9.657 1.00 0.00 N ATOM 0 H GLN A 98 -2.143 4.470 -6.625 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.787 4.444 -5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.660 3.761 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.518 2.385 -7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.513 3.864 -6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.649 5.176 -7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.398 5.248 -9.237 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.437 4.092 -10.573 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.741 2.162 -4.284 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.613 0.978 -3.442 1.00 0.00 C ATOM 1488 C LEU A 99 -5.858 0.102 -3.541 1.00 0.00 C ATOM 1489 O LEU A 99 -6.981 0.577 -3.365 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.378 1.386 -1.986 1.00 0.00 C ATOM 1491 CG LEU A 99 -3.183 2.305 -1.732 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -3.226 2.857 -0.315 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.878 1.562 -1.977 1.00 0.00 C ATOM 0 H LEU A 99 -5.669 2.585 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.757 0.403 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.277 1.882 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.248 0.481 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.238 3.142 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.368 3.509 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.145 3.425 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.196 2.033 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.038 2.231 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.815 0.706 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.845 1.216 -3.010 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.652 -1.180 -3.823 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.757 -2.124 -3.943 1.00 0.00 C ATOM 1507 C LEU A 100 -6.852 -3.012 -2.707 1.00 0.00 C ATOM 1508 O LEU A 100 -5.908 -3.728 -2.371 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.582 -2.988 -5.193 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.807 -3.790 -5.633 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -8.256 -3.361 -7.021 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.507 -5.281 -5.603 1.00 0.00 C ATOM 0 H LEU A 100 -4.730 -1.589 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.682 -1.553 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.281 -2.342 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.761 -3.684 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.619 -3.590 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.129 -3.943 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.513 -2.302 -7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.448 -3.530 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.390 -5.836 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.680 -5.499 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.236 -5.577 -4.590 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.998 -2.963 -2.036 1.00 0.00 N ATOM 1525 CA ILE A 101 -8.217 -3.766 -0.839 1.00 0.00 C ATOM 1526 C ILE A 101 -9.071 -4.990 -1.147 1.00 0.00 C ATOM 1527 O ILE A 101 -9.848 -4.992 -2.101 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.897 -2.945 0.273 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -8.661 -1.450 0.050 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -8.379 -3.371 1.638 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -7.198 -1.067 0.018 1.00 0.00 C ATOM 0 H ILE A 101 -8.789 -2.376 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.236 -4.089 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.970 -3.133 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.126 -1.153 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.158 -0.890 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.869 -2.782 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.594 -4.428 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.302 -3.209 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.107 0.007 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.732 -1.332 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.700 -1.600 -0.792 1.00 0.00 H new ATOM 1543 N GLU A 102 -8.923 -6.030 -0.332 1.00 0.00 N ATOM 1544 CA GLU A 102 -9.682 -7.260 -0.518 1.00 0.00 C ATOM 1545 C GLU A 102 -10.464 -7.613 0.745 1.00 0.00 C ATOM 1546 O GLU A 102 -9.886 -7.789 1.818 1.00 0.00 O ATOM 1547 CB GLU A 102 -8.746 -8.412 -0.889 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.462 -9.738 -1.088 1.00 0.00 C ATOM 1549 CD GLU A 102 -8.509 -10.917 -1.112 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -7.466 -10.852 -0.428 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -8.807 -11.905 -1.815 1.00 0.00 O ATOM 0 H GLU A 102 -8.284 -6.045 0.463 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.390 -7.100 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.213 -8.156 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.997 -8.527 -0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.188 -9.879 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.021 -9.708 -2.023 1.00 0.00 H new ATOM 1558 N HIS A 103 -11.783 -7.714 0.608 1.00 0.00 N ATOM 1559 CA HIS A 103 -12.645 -8.045 1.737 1.00 0.00 C ATOM 1560 C HIS A 103 -12.796 -9.557 1.880 1.00 0.00 C ATOM 1561 O HIS A 103 -12.811 -10.285 0.888 1.00 0.00 O ATOM 1562 CB HIS A 103 -14.019 -7.398 1.563 1.00 0.00 C ATOM 1563 CG HIS A 103 -14.694 -7.068 2.859 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -14.022 -6.553 3.947 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -15.989 -7.181 3.236 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -14.875 -6.365 4.939 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -16.075 -6.737 4.533 1.00 0.00 N ATOM 0 H HIS A 103 -12.277 -7.571 -0.273 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.181 -7.656 2.643 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -13.910 -6.486 0.977 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -14.658 -8.070 0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -16.803 -7.551 2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -14.632 -5.974 5.916 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -16.928 -6.701 5.092 1.00 0.00 H new