USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 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 90:sc= -1.06 USER MOD Set 1.2: A 103 HIS : no HE2:sc= -0.656 X(o=-1.7,f=-1.8!) USER MOD Set 2.1: A 20 SER OG : rot 170:sc= 0.884 USER MOD Set 2.2: A 98 GLN : amide:sc= 0.669 K(o=1.6,f=-0.21!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 168:sc= -0.0217 (180deg=-0.0417) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00966 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 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.81) 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=-0.14) USER MOD Single : A 54 MET CE :methyl -163:sc= -0.549 (180deg=-1.01) USER MOD Single : A 55 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.018) USER MOD Single : A 57 SER OG : rot -70:sc= 0.585 USER MOD Single : A 59 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.042) USER MOD Single : A 60 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.2!) USER MOD Single : A 62 ASN : amide:sc= -0.349 K(o=-0.35,f=-3.1!) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.76 F(o=-3!,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= -3.21! C(o=-3.2!,f=-9.2!) USER MOD Single : A 76 THR OG1 : rot 60:sc= 0.459 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0879 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.82!) USER MOD Single : A 93 THR OG1 : rot 61:sc= 0.21 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0459 USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -16.292 -9.063 -2.699 1.00 0.00 N ATOM 183 CA SER A 15 -16.310 -7.605 -2.711 1.00 0.00 C ATOM 184 C SER A 15 -14.906 -7.046 -2.921 1.00 0.00 C ATOM 185 O SER A 15 -13.911 -7.712 -2.635 1.00 0.00 O ATOM 186 CB SER A 15 -16.893 -7.070 -1.401 1.00 0.00 C ATOM 187 OG SER A 15 -18.115 -6.389 -1.628 1.00 0.00 O ATOM 0 HA SER A 15 -16.939 -7.281 -3.540 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.056 -7.895 -0.708 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.179 -6.395 -0.930 1.00 0.00 H new ATOM 0 HG SER A 15 -18.468 -6.058 -0.776 1.00 0.00 H new ATOM 193 N VAL A 16 -14.834 -5.818 -3.424 1.00 0.00 N ATOM 194 CA VAL A 16 -13.553 -5.167 -3.673 1.00 0.00 C ATOM 195 C VAL A 16 -13.610 -3.687 -3.315 1.00 0.00 C ATOM 196 O VAL A 16 -14.637 -3.031 -3.495 1.00 0.00 O ATOM 197 CB VAL A 16 -13.127 -5.312 -5.146 1.00 0.00 C ATOM 198 CG1 VAL A 16 -11.700 -4.823 -5.339 1.00 0.00 C ATOM 199 CG2 VAL A 16 -13.271 -6.756 -5.603 1.00 0.00 C ATOM 0 H VAL A 16 -15.648 -5.254 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.817 -5.663 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.784 -4.694 -5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.416 -4.933 -6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.633 -3.773 -5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.026 -5.412 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.966 -6.840 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.640 -7.397 -4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.311 -7.067 -5.503 1.00 0.00 H new ATOM 209 N THR A 17 -12.499 -3.163 -2.806 1.00 0.00 N ATOM 210 CA THR A 17 -12.421 -1.760 -2.421 1.00 0.00 C ATOM 211 C THR A 17 -11.292 -1.049 -3.158 1.00 0.00 C ATOM 212 O THR A 17 -10.136 -1.470 -3.098 1.00 0.00 O ATOM 213 CB THR A 17 -12.207 -1.604 -0.904 1.00 0.00 C ATOM 214 OG1 THR A 17 -12.654 -2.781 -0.222 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.954 -0.390 -0.373 1.00 0.00 C ATOM 0 H THR A 17 -11.640 -3.691 -2.651 1.00 0.00 H new ATOM 0 HA THR A 17 -13.373 -1.305 -2.694 1.00 0.00 H new ATOM 0 HB THR A 17 -11.141 -1.462 -0.723 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.913 -3.418 -0.148 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.787 -0.301 0.701 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.590 0.508 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.020 -0.506 -0.566 1.00 0.00 H new ATOM 223 N LEU A 18 -11.633 0.031 -3.853 1.00 0.00 N ATOM 224 CA LEU A 18 -10.646 0.801 -4.602 1.00 0.00 C ATOM 225 C LEU A 18 -10.562 2.232 -4.080 1.00 0.00 C ATOM 226 O LEU A 18 -11.583 2.892 -3.884 1.00 0.00 O ATOM 227 CB LEU A 18 -10.999 0.809 -6.090 1.00 0.00 C ATOM 228 CG LEU A 18 -9.958 1.428 -7.024 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.617 0.728 -6.866 1.00 0.00 C ATOM 230 CD2 LEU A 18 -10.430 1.361 -8.469 1.00 0.00 C ATOM 0 H LEU A 18 -12.585 0.393 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.674 0.327 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.176 -0.219 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.938 1.348 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.832 2.476 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.888 1.181 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.273 0.829 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.727 -0.329 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.677 1.806 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.585 0.320 -8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.367 1.909 -8.572 1.00 0.00 H new ATOM 242 N ILE A 19 -9.340 2.705 -3.859 1.00 0.00 N ATOM 243 CA ILE A 19 -9.124 4.059 -3.363 1.00 0.00 C ATOM 244 C ILE A 19 -8.206 4.844 -4.293 1.00 0.00 C ATOM 245 O ILE A 19 -7.046 4.482 -4.489 1.00 0.00 O ATOM 246 CB ILE A 19 -8.516 4.049 -1.948 1.00 0.00 C ATOM 247 CG1 ILE A 19 -7.506 2.909 -1.811 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.613 3.921 -0.901 1.00 0.00 C ATOM 249 CD1 ILE A 19 -8.080 1.666 -1.167 1.00 0.00 C ATOM 0 H ILE A 19 -8.485 2.171 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.100 4.542 -3.327 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.994 4.992 -1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.124 2.653 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.658 3.255 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.168 3.915 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.298 4.764 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.160 2.992 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.307 0.900 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.437 1.907 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.910 1.295 -1.768 1.00 0.00 H new ATOM 261 N SER A 20 -8.733 5.923 -4.863 1.00 0.00 N ATOM 262 CA SER A 20 -7.962 6.760 -5.775 1.00 0.00 C ATOM 263 C SER A 20 -7.686 8.127 -5.156 1.00 0.00 C ATOM 264 O SER A 20 -8.533 9.019 -5.191 1.00 0.00 O ATOM 265 CB SER A 20 -8.708 6.929 -7.100 1.00 0.00 C ATOM 266 OG SER A 20 -9.196 5.686 -7.572 1.00 0.00 O ATOM 0 H SER A 20 -9.691 6.238 -4.709 1.00 0.00 H new ATOM 0 HA SER A 20 -7.009 6.266 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.538 7.623 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.042 7.367 -7.843 1.00 0.00 H new ATOM 0 HG SER A 20 -9.801 5.838 -8.328 1.00 0.00 H new ATOM 272 N MET A 21 -6.494 8.283 -4.588 1.00 0.00 N ATOM 273 CA MET A 21 -6.105 9.541 -3.962 1.00 0.00 C ATOM 274 C MET A 21 -4.859 10.116 -4.627 1.00 0.00 C ATOM 275 O MET A 21 -3.976 9.388 -5.082 1.00 0.00 O ATOM 276 CB MET A 21 -5.850 9.333 -2.467 1.00 0.00 C ATOM 277 CG MET A 21 -5.962 7.883 -2.027 1.00 0.00 C ATOM 278 SD MET A 21 -5.991 7.701 -0.234 1.00 0.00 S ATOM 279 CE MET A 21 -5.135 6.141 -0.037 1.00 0.00 C ATOM 0 H MET A 21 -5.782 7.554 -4.549 1.00 0.00 H new ATOM 0 HA MET A 21 -6.923 10.250 -4.089 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.854 9.702 -2.222 1.00 0.00 H new ATOM 0 HB3 MET A 21 -6.561 9.932 -1.899 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.869 7.449 -2.447 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.122 7.319 -2.432 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.884 5.994 1.013 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.778 5.328 -0.374 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.221 6.150 -0.630 1.00 0.00 H new ATOM 289 N PRO A 22 -4.782 11.454 -4.685 1.00 0.00 N ATOM 290 CA PRO A 22 -3.648 12.157 -5.292 1.00 0.00 C ATOM 291 C PRO A 22 -2.373 12.022 -4.466 1.00 0.00 C ATOM 292 O PRO A 22 -2.415 11.615 -3.306 1.00 0.00 O ATOM 293 CB PRO A 22 -4.111 13.615 -5.327 1.00 0.00 C ATOM 294 CG PRO A 22 -5.112 13.721 -4.228 1.00 0.00 C ATOM 295 CD PRO A 22 -5.797 12.384 -4.162 1.00 0.00 C ATOM 0 HA PRO A 22 -3.396 11.753 -6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.277 14.299 -5.170 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.553 13.867 -6.291 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.628 13.959 -3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.829 14.517 -4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.086 12.131 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.705 12.368 -4.764 1.00 0.00 H new ATOM 303 N ALA A 23 -1.242 12.368 -5.072 1.00 0.00 N ATOM 304 CA ALA A 23 0.044 12.288 -4.391 1.00 0.00 C ATOM 305 C ALA A 23 0.176 13.381 -3.336 1.00 0.00 C ATOM 306 O ALA A 23 -0.782 14.098 -3.047 1.00 0.00 O ATOM 307 CB ALA A 23 1.181 12.384 -5.398 1.00 0.00 C ATOM 0 H ALA A 23 -1.190 12.706 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 23 0.100 11.324 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.136 12.323 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.105 11.564 -6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.118 13.334 -5.929 1.00 0.00 H new ATOM 391 N ARG A 29 4.318 9.459 2.205 1.00 0.00 N ATOM 392 CA ARG A 29 3.050 8.753 2.340 1.00 0.00 C ATOM 393 C ARG A 29 2.517 8.859 3.766 1.00 0.00 C ATOM 394 O ARG A 29 3.204 9.351 4.661 1.00 0.00 O ATOM 395 CB ARG A 29 3.218 7.281 1.956 1.00 0.00 C ATOM 396 CG ARG A 29 4.331 6.577 2.715 1.00 0.00 C ATOM 397 CD ARG A 29 5.624 6.555 1.914 1.00 0.00 C ATOM 398 NE ARG A 29 6.325 5.281 2.042 1.00 0.00 N ATOM 399 CZ ARG A 29 7.014 4.926 3.121 1.00 0.00 C ATOM 400 NH1 ARG A 29 7.093 5.745 4.160 1.00 0.00 N ATOM 401 NH2 ARG A 29 7.625 3.749 3.161 1.00 0.00 N ATOM 0 HA ARG A 29 2.331 9.218 1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.279 6.758 2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.420 7.214 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.500 7.081 3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.027 5.556 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.403 6.743 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.274 7.362 2.252 1.00 0.00 H new ATOM 0 HE ARG A 29 6.284 4.627 1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.624 6.650 4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.623 5.470 4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.566 3.116 2.363 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.154 3.477 3.990 1.00 0.00 H new ATOM 415 N GLY A 30 1.288 8.394 3.970 1.00 0.00 N ATOM 416 CA GLY A 30 0.684 8.447 5.289 1.00 0.00 C ATOM 417 C GLY A 30 0.459 7.069 5.879 1.00 0.00 C ATOM 418 O GLY A 30 -0.163 6.931 6.932 1.00 0.00 O ATOM 0 H GLY A 30 0.700 7.982 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.325 9.024 5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.269 8.973 5.228 1.00 0.00 H new ATOM 422 N PHE A 31 0.963 6.046 5.197 1.00 0.00 N ATOM 423 CA PHE A 31 0.811 4.671 5.659 1.00 0.00 C ATOM 424 C PHE A 31 1.948 3.794 5.140 1.00 0.00 C ATOM 425 O PHE A 31 2.446 3.996 4.033 1.00 0.00 O ATOM 426 CB PHE A 31 -0.535 4.103 5.203 1.00 0.00 C ATOM 427 CG PHE A 31 -0.546 3.670 3.765 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.154 2.389 3.411 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.949 4.543 2.768 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.164 1.987 2.088 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.962 4.146 1.444 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.567 2.867 1.104 1.00 0.00 C ATOM 0 H PHE A 31 1.480 6.143 4.323 1.00 0.00 H new ATOM 0 HA PHE A 31 0.846 4.674 6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.793 3.252 5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.308 4.857 5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.163 1.697 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.257 5.545 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.143 0.986 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.281 4.835 0.676 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.573 2.556 0.070 1.00 0.00 H new ATOM 442 N SER A 32 2.352 2.820 5.949 1.00 0.00 N ATOM 443 CA SER A 32 3.433 1.915 5.575 1.00 0.00 C ATOM 444 C SER A 32 2.886 0.538 5.212 1.00 0.00 C ATOM 445 O SER A 32 1.717 0.238 5.453 1.00 0.00 O ATOM 446 CB SER A 32 4.442 1.791 6.718 1.00 0.00 C ATOM 447 OG SER A 32 3.791 1.812 7.977 1.00 0.00 O ATOM 0 H SER A 32 1.947 2.637 6.867 1.00 0.00 H new ATOM 0 HA SER A 32 3.935 2.330 4.701 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.005 0.864 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.161 2.608 6.663 1.00 0.00 H new ATOM 0 HG SER A 32 4.457 1.730 8.691 1.00 0.00 H new ATOM 453 N VAL A 33 3.741 -0.297 4.630 1.00 0.00 N ATOM 454 CA VAL A 33 3.346 -1.643 4.234 1.00 0.00 C ATOM 455 C VAL A 33 4.484 -2.635 4.448 1.00 0.00 C ATOM 456 O VAL A 33 5.656 -2.257 4.476 1.00 0.00 O ATOM 457 CB VAL A 33 2.911 -1.689 2.758 1.00 0.00 C ATOM 458 CG1 VAL A 33 1.909 -0.583 2.462 1.00 0.00 C ATOM 459 CG2 VAL A 33 4.121 -1.583 1.842 1.00 0.00 C ATOM 0 H VAL A 33 4.712 -0.064 4.422 1.00 0.00 H new ATOM 0 HA VAL A 33 2.501 -1.922 4.863 1.00 0.00 H new ATOM 0 HB VAL A 33 2.425 -2.646 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.613 -0.631 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.030 -0.710 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.365 0.386 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.795 -1.617 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.638 -0.642 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.799 -2.414 2.037 1.00 0.00 H new ATOM 469 N THR A 34 4.132 -3.908 4.599 1.00 0.00 N ATOM 470 CA THR A 34 5.123 -4.956 4.811 1.00 0.00 C ATOM 471 C THR A 34 5.212 -5.881 3.603 1.00 0.00 C ATOM 472 O THR A 34 4.210 -6.447 3.166 1.00 0.00 O ATOM 473 CB THR A 34 4.796 -5.793 6.062 1.00 0.00 C ATOM 474 OG1 THR A 34 4.901 -4.981 7.236 1.00 0.00 O ATOM 475 CG2 THR A 34 5.736 -6.983 6.177 1.00 0.00 C ATOM 0 H THR A 34 3.167 -4.238 4.578 1.00 0.00 H new ATOM 0 HA THR A 34 6.082 -4.459 4.956 1.00 0.00 H new ATOM 0 HB THR A 34 3.775 -6.164 5.968 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.690 -5.520 8.027 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.486 -7.559 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.632 -7.615 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.764 -6.629 6.251 1.00 0.00 H new ATOM 483 N VAL A 35 6.419 -6.032 3.066 1.00 0.00 N ATOM 484 CA VAL A 35 6.639 -6.891 1.909 1.00 0.00 C ATOM 485 C VAL A 35 7.374 -8.167 2.304 1.00 0.00 C ATOM 486 O VAL A 35 8.521 -8.121 2.747 1.00 0.00 O ATOM 487 CB VAL A 35 7.445 -6.164 0.816 1.00 0.00 C ATOM 488 CG1 VAL A 35 7.954 -7.155 -0.220 1.00 0.00 C ATOM 489 CG2 VAL A 35 6.599 -5.083 0.161 1.00 0.00 C ATOM 0 H VAL A 35 7.259 -5.570 3.414 1.00 0.00 H new ATOM 0 HA VAL A 35 5.656 -7.149 1.514 1.00 0.00 H new ATOM 0 HB VAL A 35 8.307 -5.686 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.521 -6.623 -0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.598 -7.889 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.108 -7.663 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.184 -4.580 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.717 -5.536 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.289 -4.358 0.913 1.00 0.00 H new ATOM 499 N GLU A 36 6.706 -9.304 2.139 1.00 0.00 N ATOM 500 CA GLU A 36 7.297 -10.593 2.479 1.00 0.00 C ATOM 501 C GLU A 36 7.946 -11.233 1.256 1.00 0.00 C ATOM 502 O GLU A 36 7.362 -11.262 0.173 1.00 0.00 O ATOM 503 CB GLU A 36 6.233 -11.530 3.055 1.00 0.00 C ATOM 504 CG GLU A 36 5.403 -10.902 4.161 1.00 0.00 C ATOM 505 CD GLU A 36 5.548 -11.629 5.484 1.00 0.00 C ATOM 506 OE1 GLU A 36 6.686 -12.004 5.834 1.00 0.00 O ATOM 507 OE2 GLU A 36 4.522 -11.822 6.170 1.00 0.00 O ATOM 0 H GLU A 36 5.756 -9.359 1.772 1.00 0.00 H new ATOM 0 HA GLU A 36 8.068 -10.424 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.570 -11.850 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.720 -12.425 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.702 -9.861 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.354 -10.899 3.866 1.00 0.00 H new ATOM 514 N SER A 37 9.160 -11.744 1.437 1.00 0.00 N ATOM 515 CA SER A 37 9.892 -12.380 0.348 1.00 0.00 C ATOM 516 C SER A 37 10.610 -13.635 0.835 1.00 0.00 C ATOM 517 O SER A 37 11.815 -13.788 0.644 1.00 0.00 O ATOM 518 CB SER A 37 10.902 -11.403 -0.255 1.00 0.00 C ATOM 519 OG SER A 37 11.100 -11.660 -1.635 1.00 0.00 O ATOM 0 H SER A 37 9.657 -11.730 2.328 1.00 0.00 H new ATOM 0 HA SER A 37 9.173 -12.668 -0.419 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.549 -10.381 -0.119 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.852 -11.485 0.273 1.00 0.00 H new ATOM 0 HG SER A 37 11.749 -11.021 -1.997 1.00 0.00 H new ATOM 571 N TYR A 42 11.139 -12.112 -4.716 1.00 0.00 N ATOM 572 CA TYR A 42 9.895 -11.718 -5.368 1.00 0.00 C ATOM 573 C TYR A 42 8.739 -11.701 -4.373 1.00 0.00 C ATOM 574 O TYR A 42 8.419 -12.718 -3.759 1.00 0.00 O ATOM 575 CB TYR A 42 9.576 -12.672 -6.521 1.00 0.00 C ATOM 576 CG TYR A 42 8.526 -13.705 -6.179 1.00 0.00 C ATOM 577 CD1 TYR A 42 8.846 -14.826 -5.424 1.00 0.00 C ATOM 578 CD2 TYR A 42 7.214 -13.559 -6.612 1.00 0.00 C ATOM 579 CE1 TYR A 42 7.890 -15.772 -5.110 1.00 0.00 C ATOM 580 CE2 TYR A 42 6.251 -14.500 -6.302 1.00 0.00 C ATOM 581 CZ TYR A 42 6.594 -15.605 -5.551 1.00 0.00 C ATOM 582 OH TYR A 42 5.638 -16.544 -5.239 1.00 0.00 O ATOM 0 HA TYR A 42 10.025 -10.710 -5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.237 -12.091 -7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.491 -13.182 -6.823 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.860 -14.960 -5.077 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.942 -12.695 -7.201 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.156 -16.638 -4.522 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.235 -14.371 -6.646 1.00 0.00 H new ATOM 0 HH TYR A 42 4.778 -16.276 -5.625 1.00 0.00 H new ATOM 592 N ALA A 43 8.116 -10.537 -4.220 1.00 0.00 N ATOM 593 CA ALA A 43 6.994 -10.386 -3.302 1.00 0.00 C ATOM 594 C ALA A 43 6.141 -11.650 -3.265 1.00 0.00 C ATOM 595 O ALA A 43 5.943 -12.308 -4.287 1.00 0.00 O ATOM 596 CB ALA A 43 6.146 -9.186 -3.698 1.00 0.00 C ATOM 0 H ALA A 43 8.369 -9.685 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 43 7.394 -10.220 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.312 -9.085 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.756 -8.283 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.762 -9.329 -4.708 1.00 0.00 H new ATOM 602 N THR A 44 5.638 -11.984 -2.081 1.00 0.00 N ATOM 603 CA THR A 44 4.808 -13.170 -1.911 1.00 0.00 C ATOM 604 C THR A 44 3.547 -12.849 -1.117 1.00 0.00 C ATOM 605 O THR A 44 2.492 -13.443 -1.340 1.00 0.00 O ATOM 606 CB THR A 44 5.578 -14.297 -1.196 1.00 0.00 C ATOM 607 OG1 THR A 44 4.932 -15.554 -1.425 1.00 0.00 O ATOM 608 CG2 THR A 44 5.664 -14.030 0.299 1.00 0.00 C ATOM 0 H THR A 44 5.791 -11.450 -1.226 1.00 0.00 H new ATOM 0 HA THR A 44 4.530 -13.507 -2.910 1.00 0.00 H new ATOM 0 HB THR A 44 6.589 -14.330 -1.602 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.429 -16.265 -0.968 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.212 -14.839 0.782 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.183 -13.087 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.659 -13.972 0.717 1.00 0.00 H new ATOM 616 N THR A 45 3.663 -11.905 -0.188 1.00 0.00 N ATOM 617 CA THR A 45 2.532 -11.505 0.640 1.00 0.00 C ATOM 618 C THR A 45 2.732 -10.104 1.205 1.00 0.00 C ATOM 619 O THR A 45 3.755 -9.815 1.827 1.00 0.00 O ATOM 620 CB THR A 45 2.312 -12.489 1.805 1.00 0.00 C ATOM 621 OG1 THR A 45 2.418 -13.837 1.333 1.00 0.00 O ATOM 622 CG2 THR A 45 0.948 -12.276 2.444 1.00 0.00 C ATOM 0 H THR A 45 4.529 -11.403 0.010 1.00 0.00 H new ATOM 0 HA THR A 45 1.652 -11.512 -0.003 1.00 0.00 H new ATOM 0 HB THR A 45 3.080 -12.305 2.557 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.279 -14.457 2.079 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.816 -12.982 3.264 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.881 -11.258 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.168 -12.435 1.699 1.00 0.00 H new ATOM 630 N VAL A 46 1.750 -9.236 0.986 1.00 0.00 N ATOM 631 CA VAL A 46 1.818 -7.864 1.475 1.00 0.00 C ATOM 632 C VAL A 46 0.716 -7.589 2.493 1.00 0.00 C ATOM 633 O VAL A 46 -0.384 -8.129 2.392 1.00 0.00 O ATOM 634 CB VAL A 46 1.700 -6.850 0.321 1.00 0.00 C ATOM 635 CG1 VAL A 46 2.233 -5.491 0.749 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.436 -7.358 -0.910 1.00 0.00 C ATOM 0 H VAL A 46 0.897 -9.459 0.473 1.00 0.00 H new ATOM 0 HA VAL A 46 2.790 -7.746 1.954 1.00 0.00 H new ATOM 0 HB VAL A 46 0.647 -6.736 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.142 -4.787 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.658 -5.126 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.281 -5.584 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.343 -6.630 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.490 -7.501 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.004 -8.307 -1.227 1.00 0.00 H new ATOM 646 N GLN A 47 1.022 -6.744 3.472 1.00 0.00 N ATOM 647 CA GLN A 47 0.057 -6.397 4.509 1.00 0.00 C ATOM 648 C GLN A 47 0.305 -4.986 5.033 1.00 0.00 C ATOM 649 O GLN A 47 1.445 -4.600 5.292 1.00 0.00 O ATOM 650 CB GLN A 47 0.131 -7.401 5.661 1.00 0.00 C ATOM 651 CG GLN A 47 -0.712 -8.646 5.437 1.00 0.00 C ATOM 652 CD GLN A 47 -0.695 -9.584 6.628 1.00 0.00 C ATOM 653 OE1 GLN A 47 -0.518 -9.156 7.768 1.00 0.00 O ATOM 654 NE2 GLN A 47 -0.880 -10.874 6.368 1.00 0.00 N ATOM 0 H GLN A 47 1.929 -6.288 3.569 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.940 -6.432 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.170 -7.697 5.808 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.194 -6.912 6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.740 -8.351 5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.345 -9.175 4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.023 -11.185 5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.879 -11.553 7.129 1.00 0.00 H new ATOM 663 N VAL A 48 -0.770 -4.220 5.187 1.00 0.00 N ATOM 664 CA VAL A 48 -0.670 -2.852 5.681 1.00 0.00 C ATOM 665 C VAL A 48 -0.349 -2.827 7.171 1.00 0.00 C ATOM 666 O VAL A 48 -1.218 -3.071 8.009 1.00 0.00 O ATOM 667 CB VAL A 48 -1.973 -2.069 5.434 1.00 0.00 C ATOM 668 CG1 VAL A 48 -1.835 -0.634 5.920 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.346 -2.107 3.960 1.00 0.00 C ATOM 0 H VAL A 48 -1.721 -4.524 4.977 1.00 0.00 H new ATOM 0 HA VAL A 48 0.141 -2.376 5.130 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.774 -2.544 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.766 -0.097 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.618 -0.631 6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.022 -0.145 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.269 -1.549 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.546 -1.658 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.490 -3.141 3.648 1.00 0.00 H new ATOM 679 N LYS A 49 0.904 -2.531 7.496 1.00 0.00 N ATOM 680 CA LYS A 49 1.341 -2.472 8.886 1.00 0.00 C ATOM 681 C LYS A 49 0.510 -1.466 9.676 1.00 0.00 C ATOM 682 O LYS A 49 -0.324 -1.846 10.496 1.00 0.00 O ATOM 683 CB LYS A 49 2.823 -2.097 8.961 1.00 0.00 C ATOM 684 CG LYS A 49 3.381 -2.101 10.373 1.00 0.00 C ATOM 685 CD LYS A 49 4.277 -3.305 10.615 1.00 0.00 C ATOM 686 CE LYS A 49 5.203 -3.081 11.800 1.00 0.00 C ATOM 687 NZ LYS A 49 6.637 -3.117 11.398 1.00 0.00 N ATOM 0 H LYS A 49 1.636 -2.328 6.815 1.00 0.00 H new ATOM 0 HA LYS A 49 1.200 -3.459 9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.397 -2.794 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.961 -1.106 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.947 -1.185 10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.560 -2.107 11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.662 -4.187 10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.869 -3.505 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.979 -2.118 12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.018 -3.845 12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.236 -2.960 12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.858 -4.045 10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.820 -2.371 10.696 1.00 0.00 H new ATOM 701 N GLU A 50 0.744 -0.183 9.420 1.00 0.00 N ATOM 702 CA GLU A 50 0.016 0.877 10.108 1.00 0.00 C ATOM 703 C GLU A 50 -0.529 1.898 9.112 1.00 0.00 C ATOM 704 O GLU A 50 -0.037 2.009 7.989 1.00 0.00 O ATOM 705 CB GLU A 50 0.923 1.574 11.124 1.00 0.00 C ATOM 706 CG GLU A 50 1.561 0.622 12.122 1.00 0.00 C ATOM 707 CD GLU A 50 2.737 1.244 12.851 1.00 0.00 C ATOM 708 OE1 GLU A 50 2.746 2.483 13.012 1.00 0.00 O ATOM 709 OE2 GLU A 50 3.647 0.493 13.259 1.00 0.00 O ATOM 0 H GLU A 50 1.431 0.147 8.742 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.824 0.423 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.709 2.109 10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.342 2.320 11.666 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.812 0.308 12.849 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.895 -0.275 11.601 1.00 0.00 H new ATOM 716 N VAL A 51 -1.548 2.640 9.532 1.00 0.00 N ATOM 717 CA VAL A 51 -2.160 3.652 8.679 1.00 0.00 C ATOM 718 C VAL A 51 -2.423 4.938 9.454 1.00 0.00 C ATOM 719 O VAL A 51 -3.082 4.925 10.493 1.00 0.00 O ATOM 720 CB VAL A 51 -3.485 3.149 8.075 1.00 0.00 C ATOM 721 CG1 VAL A 51 -3.948 4.075 6.960 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.331 1.724 7.566 1.00 0.00 C ATOM 0 H VAL A 51 -1.968 2.560 10.458 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.455 3.855 7.873 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.245 3.151 8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.885 3.704 6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.099 5.078 7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.191 4.107 6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.276 1.385 7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.558 1.693 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.048 1.071 8.392 1.00 0.00 H new ATOM 732 N ASN A 52 -1.903 6.048 8.940 1.00 0.00 N ATOM 733 CA ASN A 52 -2.082 7.345 9.584 1.00 0.00 C ATOM 734 C ASN A 52 -3.367 8.016 9.109 1.00 0.00 C ATOM 735 O ASN A 52 -3.566 8.220 7.912 1.00 0.00 O ATOM 736 CB ASN A 52 -0.883 8.250 9.295 1.00 0.00 C ATOM 737 CG ASN A 52 -0.626 9.243 10.412 1.00 0.00 C ATOM 738 OD1 ASN A 52 -1.038 10.401 10.336 1.00 0.00 O ATOM 739 ND2 ASN A 52 0.060 8.794 11.457 1.00 0.00 N ATOM 0 H ASN A 52 -1.355 6.076 8.080 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.155 7.182 10.659 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.005 7.636 9.147 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.055 8.791 8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.265 9.417 12.239 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.382 7.826 11.478 1.00 0.00 H new ATOM 746 N ARG A 53 -4.235 8.357 10.056 1.00 0.00 N ATOM 747 CA ARG A 53 -5.501 9.004 9.735 1.00 0.00 C ATOM 748 C ARG A 53 -5.325 10.516 9.621 1.00 0.00 C ATOM 749 O ARG A 53 -6.200 11.215 9.110 1.00 0.00 O ATOM 750 CB ARG A 53 -6.549 8.681 10.801 1.00 0.00 C ATOM 751 CG ARG A 53 -6.796 7.192 10.981 1.00 0.00 C ATOM 752 CD ARG A 53 -7.339 6.880 12.366 1.00 0.00 C ATOM 753 NE ARG A 53 -8.522 7.677 12.682 1.00 0.00 N ATOM 754 CZ ARG A 53 -9.297 7.455 13.738 1.00 0.00 C ATOM 755 NH1 ARG A 53 -9.015 6.466 14.575 1.00 0.00 N ATOM 756 NH2 ARG A 53 -10.356 8.224 13.958 1.00 0.00 N ATOM 0 H ARG A 53 -4.084 8.196 11.052 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.842 8.621 8.773 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.229 9.105 11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.488 9.167 10.535 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.502 6.845 10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.866 6.646 10.822 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.588 5.821 12.428 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.565 7.069 13.110 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.766 8.446 12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.201 5.874 14.409 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.612 6.298 15.385 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.575 8.986 13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.951 8.053 14.769 1.00 0.00 H new ATOM 770 N MET A 54 -4.189 11.012 10.100 1.00 0.00 N ATOM 771 CA MET A 54 -3.899 12.440 10.051 1.00 0.00 C ATOM 772 C MET A 54 -3.228 12.814 8.734 1.00 0.00 C ATOM 773 O MET A 54 -2.761 13.940 8.561 1.00 0.00 O ATOM 774 CB MET A 54 -3.003 12.840 11.225 1.00 0.00 C ATOM 775 CG MET A 54 -3.595 13.937 12.095 1.00 0.00 C ATOM 776 SD MET A 54 -2.487 14.445 13.423 1.00 0.00 S ATOM 777 CE MET A 54 -1.698 12.887 13.821 1.00 0.00 C ATOM 0 H MET A 54 -3.455 10.447 10.526 1.00 0.00 H new ATOM 0 HA MET A 54 -4.843 12.980 10.123 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.812 11.962 11.842 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.040 13.174 10.839 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.831 14.801 11.473 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.534 13.588 12.524 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.221 12.960 14.799 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.446 12.095 13.840 1.00 0.00 H new ATOM 0 HE3 MET A 54 -0.945 12.657 13.067 1.00 0.00 H new ATOM 787 N HIS A 55 -3.182 11.862 7.807 1.00 0.00 N ATOM 788 CA HIS A 55 -2.567 12.092 6.504 1.00 0.00 C ATOM 789 C HIS A 55 -3.510 11.678 5.378 1.00 0.00 C ATOM 790 O HIS A 55 -3.213 11.881 4.201 1.00 0.00 O ATOM 791 CB HIS A 55 -1.252 11.320 6.394 1.00 0.00 C ATOM 792 CG HIS A 55 -0.055 12.113 6.819 1.00 0.00 C ATOM 793 ND1 HIS A 55 0.964 11.585 7.584 1.00 0.00 N ATOM 794 CD2 HIS A 55 0.284 13.402 6.582 1.00 0.00 C ATOM 795 CE1 HIS A 55 1.877 12.516 7.799 1.00 0.00 C ATOM 796 NE2 HIS A 55 1.488 13.628 7.201 1.00 0.00 N ATOM 0 H HIS A 55 -3.563 10.924 7.934 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.362 13.158 6.409 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.317 10.420 7.005 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.115 10.996 5.362 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.287 14.120 6.012 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.787 12.389 8.367 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.999 14.511 7.200 1.00 0.00 H new ATOM 805 N ILE A 56 -4.646 11.095 5.748 1.00 0.00 N ATOM 806 CA ILE A 56 -5.631 10.653 4.769 1.00 0.00 C ATOM 807 C ILE A 56 -6.973 11.343 4.990 1.00 0.00 C ATOM 808 O ILE A 56 -7.690 11.648 4.037 1.00 0.00 O ATOM 809 CB ILE A 56 -5.835 9.128 4.825 1.00 0.00 C ATOM 810 CG1 ILE A 56 -4.484 8.411 4.860 1.00 0.00 C ATOM 811 CG2 ILE A 56 -6.659 8.660 3.635 1.00 0.00 C ATOM 812 CD1 ILE A 56 -4.600 6.904 4.914 1.00 0.00 C ATOM 0 H ILE A 56 -4.906 10.918 6.718 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.243 10.923 3.787 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.378 8.882 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.910 8.692 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.922 8.755 5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.795 7.580 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.633 9.149 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.141 8.915 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.603 6.463 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.146 6.613 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.134 6.548 4.033 1.00 0.00 H new ATOM 824 N SER A 57 -7.306 11.588 6.253 1.00 0.00 N ATOM 825 CA SER A 57 -8.563 12.241 6.600 1.00 0.00 C ATOM 826 C SER A 57 -9.724 11.254 6.531 1.00 0.00 C ATOM 827 O SER A 57 -9.695 10.273 5.788 1.00 0.00 O ATOM 828 CB SER A 57 -8.825 13.421 5.662 1.00 0.00 C ATOM 829 OG SER A 57 -9.829 13.105 4.713 1.00 0.00 O ATOM 0 H SER A 57 -6.723 11.344 7.053 1.00 0.00 H new ATOM 0 HA SER A 57 -8.483 12.610 7.622 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.131 14.291 6.243 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.904 13.690 5.145 1.00 0.00 H new ATOM 0 HG SER A 57 -9.480 12.450 4.073 1.00 0.00 H new ATOM 835 N PRO A 58 -10.772 11.519 7.325 1.00 0.00 N ATOM 836 CA PRO A 58 -11.964 10.667 7.373 1.00 0.00 C ATOM 837 C PRO A 58 -12.788 10.751 6.092 1.00 0.00 C ATOM 838 O PRO A 58 -13.783 11.471 6.029 1.00 0.00 O ATOM 839 CB PRO A 58 -12.756 11.231 8.555 1.00 0.00 C ATOM 840 CG PRO A 58 -12.316 12.650 8.663 1.00 0.00 C ATOM 841 CD PRO A 58 -10.875 12.671 8.236 1.00 0.00 C ATOM 0 HA PRO A 58 -11.707 9.613 7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.830 11.162 8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.545 10.680 9.472 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.921 13.296 8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.426 13.016 9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.618 13.604 7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.202 12.571 9.088 1.00 0.00 H new ATOM 849 N ASN A 59 -12.366 10.008 5.073 1.00 0.00 N ATOM 850 CA ASN A 59 -13.066 9.999 3.794 1.00 0.00 C ATOM 851 C ASN A 59 -12.703 8.758 2.984 1.00 0.00 C ATOM 852 O ASN A 59 -13.542 8.194 2.283 1.00 0.00 O ATOM 853 CB ASN A 59 -12.728 11.259 2.995 1.00 0.00 C ATOM 854 CG ASN A 59 -13.921 12.182 2.838 1.00 0.00 C ATOM 855 OD1 ASN A 59 -14.642 12.119 1.842 1.00 0.00 O ATOM 856 ND2 ASN A 59 -14.135 13.045 3.824 1.00 0.00 N ATOM 0 H ASN A 59 -11.544 9.405 5.109 1.00 0.00 H new ATOM 0 HA ASN A 59 -14.137 9.980 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.920 11.796 3.493 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.361 10.973 2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.923 13.691 3.774 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.511 13.062 4.631 1.00 0.00 H new ATOM 863 N ASN A 60 -11.446 8.337 3.088 1.00 0.00 N ATOM 864 CA ASN A 60 -10.971 7.162 2.366 1.00 0.00 C ATOM 865 C ASN A 60 -10.273 6.188 3.311 1.00 0.00 C ATOM 866 O ASN A 60 -9.785 5.140 2.888 1.00 0.00 O ATOM 867 CB ASN A 60 -10.015 7.578 1.246 1.00 0.00 C ATOM 868 CG ASN A 60 -10.744 7.921 -0.038 1.00 0.00 C ATOM 869 OD1 ASN A 60 -11.757 7.308 -0.373 1.00 0.00 O ATOM 870 ND2 ASN A 60 -10.229 8.905 -0.766 1.00 0.00 N ATOM 0 H ASN A 60 -10.739 8.792 3.665 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.835 6.661 1.930 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.432 8.440 1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.309 6.769 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.675 9.179 -1.641 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.387 9.386 -0.450 1.00 0.00 H new ATOM 877 N ARG A 61 -10.231 6.542 4.591 1.00 0.00 N ATOM 878 CA ARG A 61 -9.592 5.700 5.596 1.00 0.00 C ATOM 879 C ARG A 61 -10.464 4.492 5.926 1.00 0.00 C ATOM 880 O ARG A 61 -10.069 3.624 6.703 1.00 0.00 O ATOM 881 CB ARG A 61 -9.316 6.506 6.866 1.00 0.00 C ATOM 882 CG ARG A 61 -10.259 6.178 8.012 1.00 0.00 C ATOM 883 CD ARG A 61 -10.304 7.302 9.036 1.00 0.00 C ATOM 884 NE ARG A 61 -11.126 6.956 10.193 1.00 0.00 N ATOM 885 CZ ARG A 61 -12.444 7.110 10.230 1.00 0.00 C ATOM 886 NH1 ARG A 61 -13.088 7.601 9.180 1.00 0.00 N ATOM 887 NH2 ARG A 61 -13.123 6.772 11.320 1.00 0.00 N ATOM 0 H ARG A 61 -10.632 7.406 4.957 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.646 5.343 5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.290 6.323 7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.393 7.569 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.261 6.000 7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.938 5.256 8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.291 7.532 9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.699 8.204 8.568 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.662 6.575 11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.571 7.862 8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.101 7.718 9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.632 6.394 12.130 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.136 6.891 11.347 1.00 0.00 H new ATOM 901 N ASN A 62 -11.651 4.445 5.330 1.00 0.00 N ATOM 902 CA ASN A 62 -12.579 3.344 5.562 1.00 0.00 C ATOM 903 C ASN A 62 -12.282 2.176 4.626 1.00 0.00 C ATOM 904 O ASN A 62 -12.484 1.015 4.982 1.00 0.00 O ATOM 905 CB ASN A 62 -14.021 3.815 5.365 1.00 0.00 C ATOM 906 CG ASN A 62 -14.796 3.864 6.668 1.00 0.00 C ATOM 907 OD1 ASN A 62 -14.278 3.505 7.725 1.00 0.00 O ATOM 908 ND2 ASN A 62 -16.045 4.310 6.597 1.00 0.00 N ATOM 0 H ASN A 62 -11.993 5.156 4.683 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.452 3.005 6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.018 4.805 4.910 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.527 3.146 4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.616 4.365 7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.434 4.597 5.699 1.00 0.00 H new ATOM 915 N ALA A 63 -11.800 2.492 3.429 1.00 0.00 N ATOM 916 CA ALA A 63 -11.472 1.469 2.443 1.00 0.00 C ATOM 917 C ALA A 63 -10.172 0.758 2.802 1.00 0.00 C ATOM 918 O ALA A 63 -9.975 -0.407 2.453 1.00 0.00 O ATOM 919 CB ALA A 63 -11.374 2.086 1.056 1.00 0.00 C ATOM 0 H ALA A 63 -11.628 3.448 3.118 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.272 0.729 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.129 1.311 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.328 2.542 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.595 2.848 1.051 1.00 0.00 H new ATOM 925 N ILE A 64 -9.289 1.465 3.498 1.00 0.00 N ATOM 926 CA ILE A 64 -8.008 0.900 3.904 1.00 0.00 C ATOM 927 C ILE A 64 -7.936 0.731 5.418 1.00 0.00 C ATOM 928 O ILE A 64 -8.772 1.259 6.152 1.00 0.00 O ATOM 929 CB ILE A 64 -6.832 1.781 3.441 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.574 0.931 3.252 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.579 2.896 4.444 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.615 1.492 2.225 1.00 0.00 C ATOM 0 H ILE A 64 -9.437 2.430 3.793 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.929 -0.077 3.428 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.090 2.233 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.058 0.842 4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.867 -0.075 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.745 3.510 4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.472 3.514 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.338 2.464 5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.746 0.839 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.114 1.555 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.293 2.487 2.533 1.00 0.00 H new ATOM 944 N HIS A 65 -6.932 -0.008 5.878 1.00 0.00 N ATOM 945 CA HIS A 65 -6.749 -0.245 7.306 1.00 0.00 C ATOM 946 C HIS A 65 -5.514 -1.104 7.560 1.00 0.00 C ATOM 947 O HIS A 65 -5.059 -1.852 6.694 1.00 0.00 O ATOM 948 CB HIS A 65 -7.987 -0.923 7.894 1.00 0.00 C ATOM 949 CG HIS A 65 -8.843 -0.003 8.709 1.00 0.00 C ATOM 950 ND1 HIS A 65 -8.836 1.346 8.820 1.00 0.00 N flip ATOM 951 CD2 HIS A 65 -9.851 -0.450 9.537 1.00 0.00 C flip ATOM 952 CE1 HIS A 65 -9.831 1.686 9.704 1.00 0.00 C flip ATOM 953 NE2 HIS A 65 -10.428 0.585 10.121 1.00 0.00 N flip ATOM 0 H HIS A 65 -6.233 -0.453 5.283 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.606 0.719 7.794 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.584 -1.338 7.082 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.671 -1.760 8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.126 -1.484 9.685 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.084 2.691 10.008 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.203 0.541 10.782 1.00 0.00 H new ATOM 962 N PRO A 66 -4.957 -0.996 8.776 1.00 0.00 N ATOM 963 CA PRO A 66 -3.768 -1.756 9.172 1.00 0.00 C ATOM 964 C PRO A 66 -4.057 -3.245 9.328 1.00 0.00 C ATOM 965 O PRO A 66 -4.737 -3.660 10.265 1.00 0.00 O ATOM 966 CB PRO A 66 -3.387 -1.140 10.520 1.00 0.00 C ATOM 967 CG PRO A 66 -4.660 -0.581 11.055 1.00 0.00 C ATOM 968 CD PRO A 66 -5.447 -0.125 9.857 1.00 0.00 C ATOM 0 HA PRO A 66 -2.978 -1.698 8.423 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.970 -1.889 11.193 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.633 -0.362 10.401 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.210 -1.334 11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.467 0.249 11.734 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.520 -0.242 10.012 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.270 0.928 9.637 1.00 0.00 H new ATOM 976 N GLY A 67 -3.534 -4.045 8.404 1.00 0.00 N ATOM 977 CA GLY A 67 -3.746 -5.480 8.459 1.00 0.00 C ATOM 978 C GLY A 67 -4.329 -6.029 7.171 1.00 0.00 C ATOM 979 O GLY A 67 -4.171 -7.211 6.865 1.00 0.00 O ATOM 0 H GLY A 67 -2.967 -3.725 7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.798 -5.977 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.416 -5.714 9.286 1.00 0.00 H new ATOM 983 N ASP A 68 -5.004 -5.170 6.416 1.00 0.00 N ATOM 984 CA ASP A 68 -5.613 -5.575 5.154 1.00 0.00 C ATOM 985 C ASP A 68 -4.547 -5.991 4.145 1.00 0.00 C ATOM 986 O ASP A 68 -3.443 -5.445 4.133 1.00 0.00 O ATOM 987 CB ASP A 68 -6.458 -4.436 4.582 1.00 0.00 C ATOM 988 CG ASP A 68 -7.673 -4.131 5.437 1.00 0.00 C ATOM 989 OD1 ASP A 68 -8.618 -4.947 5.438 1.00 0.00 O ATOM 990 OD2 ASP A 68 -7.677 -3.076 6.105 1.00 0.00 O ATOM 0 H ASP A 68 -5.144 -4.188 6.656 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.257 -6.432 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.844 -3.540 4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.782 -4.698 3.575 1.00 0.00 H new ATOM 995 N ARG A 69 -4.884 -6.960 3.301 1.00 0.00 N ATOM 996 CA ARG A 69 -3.955 -7.450 2.290 1.00 0.00 C ATOM 997 C ARG A 69 -4.152 -6.714 0.968 1.00 0.00 C ATOM 998 O ARG A 69 -5.251 -6.698 0.413 1.00 0.00 O ATOM 999 CB ARG A 69 -4.143 -8.954 2.081 1.00 0.00 C ATOM 1000 CG ARG A 69 -3.511 -9.474 0.800 1.00 0.00 C ATOM 1001 CD ARG A 69 -3.792 -10.956 0.602 1.00 0.00 C ATOM 1002 NE ARG A 69 -3.853 -11.317 -0.812 1.00 0.00 N ATOM 1003 CZ ARG A 69 -3.885 -12.571 -1.249 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -3.861 -13.578 -0.387 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -3.940 -12.819 -2.551 1.00 0.00 N ATOM 0 H ARG A 69 -5.794 -7.422 3.297 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.941 -7.262 2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.714 -9.487 2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.209 -9.180 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.896 -8.913 -0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.434 -9.308 0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.014 -11.541 1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.736 -11.214 1.083 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.872 -10.565 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.818 -13.391 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.886 -14.540 -0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.958 -12.047 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.965 -13.782 -2.886 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.081 -6.105 0.471 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.136 -5.367 -0.785 1.00 0.00 C ATOM 1021 C ILE A 70 -3.021 -6.307 -1.980 1.00 0.00 C ATOM 1022 O ILE A 70 -2.185 -7.212 -1.993 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.018 -4.311 -0.867 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.102 -3.354 0.325 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -2.110 -3.543 -2.177 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -0.833 -2.563 0.554 1.00 0.00 C ATOM 0 H ILE A 70 -2.165 -6.108 0.919 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.102 -4.864 -0.813 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.055 -4.820 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.929 -2.662 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.332 -3.926 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.313 -2.800 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.006 -4.235 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.076 -3.042 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.964 -1.906 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.006 -3.248 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.613 -1.964 -0.330 1.00 0.00 H new ATOM 1038 N LEU A 71 -3.863 -6.086 -2.983 1.00 0.00 N ATOM 1039 CA LEU A 71 -3.855 -6.912 -4.185 1.00 0.00 C ATOM 1040 C LEU A 71 -3.030 -6.258 -5.289 1.00 0.00 C ATOM 1041 O LEU A 71 -2.240 -6.921 -5.961 1.00 0.00 O ATOM 1042 CB LEU A 71 -5.285 -7.150 -4.674 1.00 0.00 C ATOM 1043 CG LEU A 71 -6.232 -7.820 -3.678 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -7.490 -8.304 -4.381 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -5.535 -8.974 -2.973 1.00 0.00 C ATOM 0 H LEU A 71 -4.560 -5.341 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.399 -7.870 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.713 -6.190 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.243 -7.764 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.520 -7.084 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.152 -8.778 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.000 -7.456 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.221 -9.025 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.224 -9.439 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.217 -9.712 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.664 -8.599 -2.436 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.219 -4.955 -5.469 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.490 -4.212 -6.491 1.00 0.00 C ATOM 1059 C GLU A 72 -2.360 -2.742 -6.106 1.00 0.00 C ATOM 1060 O GLU A 72 -3.179 -2.211 -5.355 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.196 -4.336 -7.843 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.267 -5.762 -8.365 1.00 0.00 C ATOM 1063 CD GLU A 72 -4.000 -5.863 -9.688 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -4.853 -4.993 -9.963 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -3.720 -6.812 -10.450 1.00 0.00 O ATOM 0 H GLU A 72 -3.870 -4.392 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.490 -4.638 -6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.208 -3.940 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.676 -3.716 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.256 -6.152 -8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.767 -6.390 -7.628 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.325 -2.090 -6.625 1.00 0.00 N ATOM 1073 CA ILE A 73 -1.087 -0.681 -6.336 1.00 0.00 C ATOM 1074 C ILE A 73 -1.018 0.139 -7.620 1.00 0.00 C ATOM 1075 O ILE A 73 -0.073 0.016 -8.397 1.00 0.00 O ATOM 1076 CB ILE A 73 0.218 -0.482 -5.542 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.375 -1.583 -4.492 1.00 0.00 C ATOM 1078 CG2 ILE A 73 0.234 0.890 -4.885 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.590 -1.406 -3.608 1.00 0.00 C ATOM 0 H ILE A 73 -0.638 -2.515 -7.248 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.926 -0.336 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 73 1.059 -0.543 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.518 -1.608 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.439 -2.548 -4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.162 1.016 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.164 1.661 -5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.613 0.977 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.638 -2.223 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.491 -1.411 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.518 -0.457 -3.077 1.00 0.00 H new ATOM 1091 N ASN A 74 -2.027 0.978 -7.834 1.00 0.00 N ATOM 1092 CA ASN A 74 -2.081 1.821 -9.023 1.00 0.00 C ATOM 1093 C ASN A 74 -2.458 1.001 -10.253 1.00 0.00 C ATOM 1094 O ASN A 74 -2.627 1.543 -11.345 1.00 0.00 O ATOM 1095 CB ASN A 74 -0.733 2.508 -9.248 1.00 0.00 C ATOM 1096 CG ASN A 74 -0.128 3.031 -7.959 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -0.665 3.946 -7.334 1.00 0.00 O ATOM 1098 ND2 ASN A 74 0.996 2.450 -7.554 1.00 0.00 N ATOM 0 H ASN A 74 -2.818 1.092 -7.200 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.846 2.581 -8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.042 1.803 -9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.862 3.334 -9.947 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.449 2.759 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.406 1.695 -8.103 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.588 -0.309 -10.068 1.00 0.00 N ATOM 1106 CA GLY A 75 -2.944 -1.182 -11.172 1.00 0.00 C ATOM 1107 C GLY A 75 -1.799 -2.081 -11.593 1.00 0.00 C ATOM 1108 O GLY A 75 -1.509 -2.215 -12.783 1.00 0.00 O ATOM 0 H GLY A 75 -2.453 -0.781 -9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.797 -1.796 -10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.259 -0.577 -12.022 1.00 0.00 H new ATOM 1112 N THR A 76 -1.143 -2.699 -10.616 1.00 0.00 N ATOM 1113 CA THR A 76 -0.021 -3.587 -10.891 1.00 0.00 C ATOM 1114 C THR A 76 -0.057 -4.815 -9.988 1.00 0.00 C ATOM 1115 O THR A 76 -0.456 -4.748 -8.825 1.00 0.00 O ATOM 1116 CB THR A 76 1.327 -2.865 -10.703 1.00 0.00 C ATOM 1117 OG1 THR A 76 1.109 -1.548 -10.185 1.00 0.00 O ATOM 1118 CG2 THR A 76 2.083 -2.779 -12.020 1.00 0.00 C ATOM 0 H THR A 76 -1.370 -2.601 -9.626 1.00 0.00 H new ATOM 0 HA THR A 76 -0.115 -3.901 -11.931 1.00 0.00 H new ATOM 0 HB THR A 76 1.926 -3.439 -9.996 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.646 -1.608 -9.323 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.031 -2.265 -11.862 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.273 -3.784 -12.397 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.487 -2.226 -12.746 1.00 0.00 H new ATOM 1126 N PRO A 77 0.370 -5.964 -10.533 1.00 0.00 N ATOM 1127 CA PRO A 77 0.397 -7.229 -9.792 1.00 0.00 C ATOM 1128 C PRO A 77 1.460 -7.238 -8.699 1.00 0.00 C ATOM 1129 O PRO A 77 2.657 -7.197 -8.983 1.00 0.00 O ATOM 1130 CB PRO A 77 0.729 -8.263 -10.870 1.00 0.00 C ATOM 1131 CG PRO A 77 1.456 -7.497 -11.920 1.00 0.00 C ATOM 1132 CD PRO A 77 0.859 -6.116 -11.913 1.00 0.00 C ATOM 0 HA PRO A 77 -0.543 -7.419 -9.274 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.345 -9.068 -10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.175 -8.722 -11.270 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.525 -7.461 -11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.341 -7.967 -12.897 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.600 -5.357 -12.163 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.051 -6.024 -12.638 1.00 0.00 H new ATOM 1140 N VAL A 78 1.015 -7.293 -7.448 1.00 0.00 N ATOM 1141 CA VAL A 78 1.929 -7.309 -6.312 1.00 0.00 C ATOM 1142 C VAL A 78 2.422 -8.722 -6.024 1.00 0.00 C ATOM 1143 O VAL A 78 3.351 -8.919 -5.239 1.00 0.00 O ATOM 1144 CB VAL A 78 1.260 -6.742 -5.045 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.700 -5.354 -5.313 1.00 0.00 C ATOM 1146 CG2 VAL A 78 0.169 -7.681 -4.554 1.00 0.00 C ATOM 0 H VAL A 78 0.027 -7.327 -7.195 1.00 0.00 H new ATOM 0 HA VAL A 78 2.777 -6.679 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 78 2.014 -6.658 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.231 -4.970 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.508 -4.688 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.042 -5.409 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.293 -7.265 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.586 -7.799 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.604 -8.653 -4.320 1.00 0.00 H new ATOM 1156 N ARG A 79 1.795 -9.704 -6.664 1.00 0.00 N ATOM 1157 CA ARG A 79 2.170 -11.100 -6.476 1.00 0.00 C ATOM 1158 C ARG A 79 3.341 -11.476 -7.380 1.00 0.00 C ATOM 1159 O ARG A 79 3.957 -12.528 -7.212 1.00 0.00 O ATOM 1160 CB ARG A 79 0.977 -12.014 -6.762 1.00 0.00 C ATOM 1161 CG ARG A 79 0.283 -11.714 -8.081 1.00 0.00 C ATOM 1162 CD ARG A 79 -1.059 -11.033 -7.861 1.00 0.00 C ATOM 1163 NE ARG A 79 -2.041 -11.937 -7.269 1.00 0.00 N ATOM 1164 CZ ARG A 79 -3.168 -11.526 -6.698 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -3.454 -10.232 -6.643 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -4.012 -12.409 -6.181 1.00 0.00 N ATOM 0 H ARG A 79 1.025 -9.558 -7.317 1.00 0.00 H new ATOM 0 HA ARG A 79 2.478 -11.230 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.316 -13.050 -6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.255 -11.919 -5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.921 -11.075 -8.692 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.136 -12.641 -8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.924 -10.168 -7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.437 -10.661 -8.813 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.851 -12.939 -7.295 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.808 -9.550 -7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.320 -9.919 -6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.796 -13.405 -6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.877 -12.092 -5.743 1.00 0.00 H new ATOM 1180 N THR A 80 3.642 -10.607 -8.341 1.00 0.00 N ATOM 1181 CA THR A 80 4.736 -10.848 -9.273 1.00 0.00 C ATOM 1182 C THR A 80 5.762 -9.721 -9.219 1.00 0.00 C ATOM 1183 O THR A 80 6.968 -9.962 -9.283 1.00 0.00 O ATOM 1184 CB THR A 80 4.222 -10.990 -10.718 1.00 0.00 C ATOM 1185 OG1 THR A 80 4.057 -9.696 -11.308 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.900 -11.741 -10.751 1.00 0.00 C ATOM 0 H THR A 80 3.143 -9.730 -8.494 1.00 0.00 H new ATOM 0 HA THR A 80 5.209 -11.782 -8.970 1.00 0.00 H new ATOM 0 HB THR A 80 4.958 -11.558 -11.288 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.732 -9.795 -12.227 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.557 -11.829 -11.782 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.036 -12.736 -10.328 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.158 -11.197 -10.167 1.00 0.00 H new ATOM 1194 N LEU A 81 5.276 -8.491 -9.099 1.00 0.00 N ATOM 1195 CA LEU A 81 6.152 -7.325 -9.035 1.00 0.00 C ATOM 1196 C LEU A 81 7.333 -7.582 -8.106 1.00 0.00 C ATOM 1197 O LEU A 81 7.271 -8.447 -7.231 1.00 0.00 O ATOM 1198 CB LEU A 81 5.369 -6.101 -8.558 1.00 0.00 C ATOM 1199 CG LEU A 81 4.855 -5.164 -9.652 1.00 0.00 C ATOM 1200 CD1 LEU A 81 4.234 -3.918 -9.040 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.980 -4.789 -10.605 1.00 0.00 C ATOM 0 H LEU A 81 4.281 -8.274 -9.044 1.00 0.00 H new ATOM 0 HA LEU A 81 6.537 -7.134 -10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.516 -6.446 -7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.006 -5.527 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 81 4.085 -5.687 -10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.874 -3.263 -9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.400 -4.204 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.982 -3.392 -8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.596 -4.122 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.773 -4.285 -10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.379 -5.691 -11.070 1.00 0.00 H new ATOM 1213 N ARG A 82 8.407 -6.824 -8.299 1.00 0.00 N ATOM 1214 CA ARG A 82 9.603 -6.969 -7.477 1.00 0.00 C ATOM 1215 C ARG A 82 9.432 -6.257 -6.139 1.00 0.00 C ATOM 1216 O ARG A 82 8.717 -5.259 -6.041 1.00 0.00 O ATOM 1217 CB ARG A 82 10.823 -6.412 -8.212 1.00 0.00 C ATOM 1218 CG ARG A 82 11.371 -7.345 -9.279 1.00 0.00 C ATOM 1219 CD ARG A 82 12.133 -8.509 -8.663 1.00 0.00 C ATOM 1220 NE ARG A 82 13.500 -8.140 -8.306 1.00 0.00 N ATOM 1221 CZ ARG A 82 14.427 -7.804 -9.196 1.00 0.00 C ATOM 1222 NH1 ARG A 82 14.135 -7.789 -10.489 1.00 0.00 N ATOM 1223 NH2 ARG A 82 15.649 -7.480 -8.793 1.00 0.00 N ATOM 0 H ARG A 82 8.474 -6.103 -9.017 1.00 0.00 H new ATOM 0 HA ARG A 82 9.756 -8.031 -7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.555 -5.462 -8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.609 -6.202 -7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.550 -7.727 -9.887 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.030 -6.789 -9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.607 -8.856 -7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.154 -9.341 -9.366 1.00 0.00 H new ATOM 0 HE ARG A 82 13.757 -8.140 -7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.196 -8.036 -10.803 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.849 -7.531 -11.170 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.877 -7.489 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.360 -7.222 -9.477 1.00 0.00 H new ATOM 1237 N VAL A 83 10.093 -6.776 -5.109 1.00 0.00 N ATOM 1238 CA VAL A 83 10.016 -6.190 -3.777 1.00 0.00 C ATOM 1239 C VAL A 83 10.171 -4.675 -3.833 1.00 0.00 C ATOM 1240 O VAL A 83 9.485 -3.944 -3.119 1.00 0.00 O ATOM 1241 CB VAL A 83 11.095 -6.772 -2.844 1.00 0.00 C ATOM 1242 CG1 VAL A 83 10.913 -6.250 -1.427 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.057 -8.292 -2.870 1.00 0.00 C ATOM 0 H VAL A 83 10.688 -7.602 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 83 9.032 -6.437 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 83 12.073 -6.450 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.684 -6.672 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.994 -5.163 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.930 -6.541 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.826 -8.687 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.078 -8.637 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.240 -8.643 -3.885 1.00 0.00 H new ATOM 1253 N GLU A 84 11.078 -4.210 -4.687 1.00 0.00 N ATOM 1254 CA GLU A 84 11.323 -2.780 -4.836 1.00 0.00 C ATOM 1255 C GLU A 84 10.155 -2.098 -5.541 1.00 0.00 C ATOM 1256 O GLU A 84 9.754 -0.994 -5.173 1.00 0.00 O ATOM 1257 CB GLU A 84 12.616 -2.541 -5.619 1.00 0.00 C ATOM 1258 CG GLU A 84 12.452 -2.687 -7.123 1.00 0.00 C ATOM 1259 CD GLU A 84 13.775 -2.633 -7.861 1.00 0.00 C ATOM 1260 OE1 GLU A 84 14.715 -1.989 -7.350 1.00 0.00 O ATOM 1261 OE2 GLU A 84 13.870 -3.235 -8.952 1.00 0.00 O ATOM 0 H GLU A 84 11.654 -4.802 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 84 11.425 -2.349 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.985 -1.540 -5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.375 -3.244 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.957 -3.633 -7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.801 -1.894 -7.493 1.00 0.00 H new ATOM 1268 N GLU A 85 9.614 -2.763 -6.557 1.00 0.00 N ATOM 1269 CA GLU A 85 8.493 -2.220 -7.315 1.00 0.00 C ATOM 1270 C GLU A 85 7.261 -2.064 -6.427 1.00 0.00 C ATOM 1271 O GLU A 85 6.328 -1.335 -6.763 1.00 0.00 O ATOM 1272 CB GLU A 85 8.166 -3.125 -8.504 1.00 0.00 C ATOM 1273 CG GLU A 85 8.504 -2.507 -9.850 1.00 0.00 C ATOM 1274 CD GLU A 85 9.963 -2.111 -9.961 1.00 0.00 C ATOM 1275 OE1 GLU A 85 10.818 -2.841 -9.416 1.00 0.00 O ATOM 1276 OE2 GLU A 85 10.251 -1.072 -10.591 1.00 0.00 O ATOM 0 H GLU A 85 9.934 -3.678 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 85 8.781 -1.236 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.711 -4.063 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.104 -3.370 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.263 -3.216 -10.642 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.880 -1.628 -10.009 1.00 0.00 H new ATOM 1283 N VAL A 86 7.266 -2.755 -5.291 1.00 0.00 N ATOM 1284 CA VAL A 86 6.150 -2.694 -4.355 1.00 0.00 C ATOM 1285 C VAL A 86 6.341 -1.567 -3.346 1.00 0.00 C ATOM 1286 O VAL A 86 5.380 -0.910 -2.946 1.00 0.00 O ATOM 1287 CB VAL A 86 5.981 -4.024 -3.596 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.541 -4.198 -3.138 1.00 0.00 C ATOM 1289 CG2 VAL A 86 6.417 -5.193 -4.467 1.00 0.00 C ATOM 0 H VAL A 86 8.030 -3.363 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 86 5.253 -2.503 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 86 6.618 -4.002 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.441 -5.143 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.268 -3.376 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.881 -4.200 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.291 -6.125 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.808 -5.221 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.465 -5.072 -4.740 1.00 0.00 H new ATOM 1299 N GLU A 87 7.588 -1.349 -2.939 1.00 0.00 N ATOM 1300 CA GLU A 87 7.904 -0.300 -1.977 1.00 0.00 C ATOM 1301 C GLU A 87 7.952 1.065 -2.656 1.00 0.00 C ATOM 1302 O GLU A 87 7.368 2.034 -2.169 1.00 0.00 O ATOM 1303 CB GLU A 87 9.242 -0.591 -1.294 1.00 0.00 C ATOM 1304 CG GLU A 87 9.117 -1.464 -0.057 1.00 0.00 C ATOM 1305 CD GLU A 87 8.711 -0.677 1.174 1.00 0.00 C ATOM 1306 OE1 GLU A 87 9.377 0.334 1.478 1.00 0.00 O ATOM 1307 OE2 GLU A 87 7.727 -1.073 1.834 1.00 0.00 O ATOM 0 H GLU A 87 8.395 -1.884 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 87 7.116 -0.283 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.906 -1.079 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.711 0.353 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.381 -2.247 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.069 -1.960 0.131 1.00 0.00 H new ATOM 1314 N ASP A 88 8.654 1.135 -3.782 1.00 0.00 N ATOM 1315 CA ASP A 88 8.779 2.381 -4.529 1.00 0.00 C ATOM 1316 C ASP A 88 7.410 3.003 -4.781 1.00 0.00 C ATOM 1317 O ASP A 88 7.265 4.225 -4.791 1.00 0.00 O ATOM 1318 CB ASP A 88 9.494 2.133 -5.859 1.00 0.00 C ATOM 1319 CG ASP A 88 10.901 2.698 -5.874 1.00 0.00 C ATOM 1320 OD1 ASP A 88 11.049 3.915 -6.112 1.00 0.00 O ATOM 1321 OD2 ASP A 88 11.853 1.923 -5.648 1.00 0.00 O ATOM 0 H ASP A 88 9.145 0.343 -4.197 1.00 0.00 H new ATOM 0 HA ASP A 88 9.369 3.077 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.534 1.061 -6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.917 2.581 -6.668 1.00 0.00 H new ATOM 1326 N ALA A 89 6.408 2.154 -4.987 1.00 0.00 N ATOM 1327 CA ALA A 89 5.051 2.621 -5.239 1.00 0.00 C ATOM 1328 C ALA A 89 4.483 3.341 -4.020 1.00 0.00 C ATOM 1329 O ALA A 89 3.608 4.199 -4.146 1.00 0.00 O ATOM 1330 CB ALA A 89 4.155 1.455 -5.630 1.00 0.00 C ATOM 0 H ALA A 89 6.511 1.139 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 89 5.086 3.331 -6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.144 1.819 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.543 0.985 -6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.135 0.724 -4.821 1.00 0.00 H new ATOM 1336 N ILE A 90 4.984 2.986 -2.842 1.00 0.00 N ATOM 1337 CA ILE A 90 4.527 3.599 -1.601 1.00 0.00 C ATOM 1338 C ILE A 90 5.304 4.875 -1.299 1.00 0.00 C ATOM 1339 O ILE A 90 4.725 5.955 -1.181 1.00 0.00 O ATOM 1340 CB ILE A 90 4.666 2.632 -0.411 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.471 1.186 -0.874 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.665 2.984 0.678 1.00 0.00 C ATOM 1343 CD1 ILE A 90 3.154 0.951 -1.579 1.00 0.00 C ATOM 0 H ILE A 90 5.707 2.277 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 90 3.474 3.843 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 90 5.670 2.730 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.286 0.914 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.535 0.524 -0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.776 2.291 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.847 4.001 1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.653 2.912 0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.084 -0.094 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.332 1.191 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.096 1.587 -2.462 1.00 0.00 H new ATOM 1355 N LYS A 91 6.621 4.744 -1.177 1.00 0.00 N ATOM 1356 CA LYS A 91 7.481 5.887 -0.892 1.00 0.00 C ATOM 1357 C LYS A 91 7.269 6.996 -1.917 1.00 0.00 C ATOM 1358 O LYS A 91 7.314 8.179 -1.581 1.00 0.00 O ATOM 1359 CB LYS A 91 8.949 5.457 -0.885 1.00 0.00 C ATOM 1360 CG LYS A 91 9.289 4.434 -1.956 1.00 0.00 C ATOM 1361 CD LYS A 91 10.731 4.565 -2.415 1.00 0.00 C ATOM 1362 CE LYS A 91 11.525 3.301 -2.125 1.00 0.00 C ATOM 1363 NZ LYS A 91 12.926 3.399 -2.622 1.00 0.00 N ATOM 0 H LYS A 91 7.116 3.857 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 91 7.217 6.272 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.577 6.337 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.192 5.041 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.120 3.430 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.622 4.563 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.756 4.774 -3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.198 5.413 -1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.533 3.116 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.033 2.448 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.434 2.518 -2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.920 3.550 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.404 4.197 -2.158 1.00 0.00 H new ATOM 1377 N GLN A 92 7.037 6.605 -3.166 1.00 0.00 N ATOM 1378 CA GLN A 92 6.818 7.568 -4.239 1.00 0.00 C ATOM 1379 C GLN A 92 5.475 8.271 -4.073 1.00 0.00 C ATOM 1380 O GLN A 92 4.429 7.626 -3.994 1.00 0.00 O ATOM 1381 CB GLN A 92 6.877 6.870 -5.599 1.00 0.00 C ATOM 1382 CG GLN A 92 5.644 6.036 -5.908 1.00 0.00 C ATOM 1383 CD GLN A 92 4.637 6.779 -6.763 1.00 0.00 C ATOM 1384 OE1 GLN A 92 3.538 7.101 -6.310 1.00 0.00 O ATOM 1385 NE2 GLN A 92 5.006 7.057 -8.008 1.00 0.00 N ATOM 0 H GLN A 92 6.996 5.629 -3.460 1.00 0.00 H new ATOM 0 HA GLN A 92 7.608 8.317 -4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.002 7.621 -6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.757 6.228 -5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.947 5.123 -6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.170 5.735 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.926 6.772 -8.343 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.369 7.556 -8.629 1.00 0.00 H new ATOM 1394 N THR A 93 5.510 9.599 -4.020 1.00 0.00 N ATOM 1395 CA THR A 93 4.297 10.391 -3.862 1.00 0.00 C ATOM 1396 C THR A 93 4.283 11.574 -4.822 1.00 0.00 C ATOM 1397 O THR A 93 4.196 12.728 -4.400 1.00 0.00 O ATOM 1398 CB THR A 93 4.150 10.913 -2.420 1.00 0.00 C ATOM 1399 OG1 THR A 93 5.302 11.684 -2.059 1.00 0.00 O ATOM 1400 CG2 THR A 93 3.978 9.760 -1.442 1.00 0.00 C ATOM 0 H THR A 93 6.367 10.149 -4.084 1.00 0.00 H new ATOM 0 HA THR A 93 3.459 9.732 -4.089 1.00 0.00 H new ATOM 0 HB THR A 93 3.262 11.543 -2.373 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.382 12.454 -2.660 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.876 10.153 -0.430 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.085 9.192 -1.702 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.850 9.108 -1.492 1.00 0.00 H new ATOM 1408 N SER A 94 4.369 11.282 -6.116 1.00 0.00 N ATOM 1409 CA SER A 94 4.369 12.323 -7.137 1.00 0.00 C ATOM 1410 C SER A 94 3.034 12.363 -7.873 1.00 0.00 C ATOM 1411 O SER A 94 2.537 13.434 -8.222 1.00 0.00 O ATOM 1412 CB SER A 94 5.507 12.090 -8.133 1.00 0.00 C ATOM 1413 OG SER A 94 5.986 10.758 -8.057 1.00 0.00 O ATOM 0 H SER A 94 4.440 10.333 -6.482 1.00 0.00 H new ATOM 0 HA SER A 94 4.519 13.282 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.157 12.297 -9.144 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.321 12.785 -7.929 1.00 0.00 H new ATOM 0 HG SER A 94 6.711 10.634 -8.704 1.00 0.00 H new ATOM 1419 N GLN A 95 2.458 11.187 -8.106 1.00 0.00 N ATOM 1420 CA GLN A 95 1.181 11.087 -8.802 1.00 0.00 C ATOM 1421 C GLN A 95 0.133 10.412 -7.922 1.00 0.00 C ATOM 1422 O GLN A 95 0.392 10.098 -6.759 1.00 0.00 O ATOM 1423 CB GLN A 95 1.346 10.307 -10.107 1.00 0.00 C ATOM 1424 CG GLN A 95 2.795 10.007 -10.456 1.00 0.00 C ATOM 1425 CD GLN A 95 2.991 9.712 -11.930 1.00 0.00 C ATOM 1426 OE1 GLN A 95 2.609 10.506 -12.790 1.00 0.00 O ATOM 1427 NE2 GLN A 95 3.589 8.565 -12.231 1.00 0.00 N ATOM 0 H GLN A 95 2.856 10.291 -7.823 1.00 0.00 H new ATOM 0 HA GLN A 95 0.842 12.097 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.797 9.368 -10.032 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.895 10.876 -10.920 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.416 10.857 -10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.137 9.154 -9.870 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.890 7.936 -11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.748 8.313 -13.207 1.00 0.00 H new ATOM 1436 N THR A 96 -1.051 10.192 -8.483 1.00 0.00 N ATOM 1437 CA THR A 96 -2.138 9.556 -7.750 1.00 0.00 C ATOM 1438 C THR A 96 -1.768 8.135 -7.341 1.00 0.00 C ATOM 1439 O THR A 96 -1.371 7.322 -8.176 1.00 0.00 O ATOM 1440 CB THR A 96 -3.432 9.518 -8.585 1.00 0.00 C ATOM 1441 OG1 THR A 96 -3.501 10.667 -9.436 1.00 0.00 O ATOM 1442 CG2 THR A 96 -4.657 9.474 -7.683 1.00 0.00 C ATOM 0 H THR A 96 -1.282 10.445 -9.444 1.00 0.00 H new ATOM 0 HA THR A 96 -2.309 10.155 -6.856 1.00 0.00 H new ATOM 0 HB THR A 96 -3.417 8.615 -9.196 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.326 10.634 -9.964 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.559 9.448 -8.295 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.617 8.582 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.674 10.361 -7.049 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.902 7.842 -6.052 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.582 6.517 -5.532 1.00 0.00 C ATOM 1452 C LEU A 97 -2.851 5.713 -5.272 1.00 0.00 C ATOM 1453 O LEU A 97 -3.590 5.991 -4.328 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.767 6.637 -4.242 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.713 5.387 -3.364 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.470 4.148 -4.213 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.368 5.527 -2.302 1.00 0.00 C ATOM 0 H LEU A 97 -2.230 8.504 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.989 5.993 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.253 6.916 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.179 7.455 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.675 5.277 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.435 3.268 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.279 4.038 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.478 4.249 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.392 4.628 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.336 5.663 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.151 6.391 -1.674 1.00 0.00 H new ATOM 1469 N GLN A 98 -3.096 4.715 -6.114 1.00 0.00 N ATOM 1470 CA GLN A 98 -4.276 3.870 -5.974 1.00 0.00 C ATOM 1471 C GLN A 98 -3.944 2.593 -5.210 1.00 0.00 C ATOM 1472 O GLN A 98 -2.840 2.057 -5.325 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.846 3.521 -7.350 1.00 0.00 C ATOM 1474 CG GLN A 98 -6.274 3.998 -7.557 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.934 3.361 -8.763 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -6.523 2.294 -9.219 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -7.965 4.013 -9.288 1.00 0.00 N ATOM 0 H GLN A 98 -2.493 4.472 -6.900 1.00 0.00 H new ATOM 0 HA GLN A 98 -5.024 4.426 -5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.210 3.960 -8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.810 2.440 -7.485 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.860 3.774 -6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.277 5.081 -7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.273 4.895 -8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -8.449 3.632 -10.101 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.903 2.110 -4.429 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.712 0.895 -3.644 1.00 0.00 C ATOM 1488 C LEU A 99 -5.922 -0.027 -3.764 1.00 0.00 C ATOM 1489 O LEU A 99 -7.062 0.401 -3.581 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.468 1.246 -2.175 1.00 0.00 C ATOM 1491 CG LEU A 99 -3.295 2.186 -1.896 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -3.476 2.882 -0.556 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.979 1.422 -1.929 1.00 0.00 C ATOM 0 H LEU A 99 -5.821 2.541 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.840 0.372 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.375 1.700 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.305 0.320 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.270 2.946 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.632 3.547 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.399 3.462 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.528 2.136 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.155 2.107 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.993 0.640 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.845 0.971 -2.912 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.665 -1.293 -4.070 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.733 -2.277 -4.213 1.00 0.00 C ATOM 1507 C LEU A 100 -6.775 -3.213 -3.009 1.00 0.00 C ATOM 1508 O LEU A 100 -5.871 -4.024 -2.809 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.540 -3.087 -5.496 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.703 -3.994 -5.899 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -9.029 -3.269 -5.730 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.534 -4.473 -7.334 1.00 0.00 C ATOM 0 H LEU A 100 -4.727 -1.663 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.681 -1.742 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.346 -2.393 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.648 -3.703 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.703 -4.865 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.845 -3.930 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.154 -2.977 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.040 -2.379 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.371 -5.117 -7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.507 -3.613 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.602 -5.032 -7.424 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.832 -3.096 -2.212 1.00 0.00 N ATOM 1525 CA ILE A 101 -7.993 -3.933 -1.030 1.00 0.00 C ATOM 1526 C ILE A 101 -8.955 -5.086 -1.300 1.00 0.00 C ATOM 1527 O ILE A 101 -9.847 -4.978 -2.141 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.510 -3.119 0.171 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -8.108 -1.650 0.030 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -7.974 -3.697 1.473 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -6.615 -1.441 -0.103 1.00 0.00 C ATOM 0 H ILE A 101 -8.589 -2.430 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.008 -4.333 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.598 -3.179 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.605 -1.228 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.468 -1.098 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.348 -3.111 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.305 -4.730 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.885 -3.664 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.404 -0.376 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.113 -1.832 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.252 -1.964 -0.988 1.00 0.00 H new ATOM 1543 N GLU A 102 -8.768 -6.187 -0.579 1.00 0.00 N ATOM 1544 CA GLU A 102 -9.620 -7.359 -0.740 1.00 0.00 C ATOM 1545 C GLU A 102 -10.698 -7.401 0.340 1.00 0.00 C ATOM 1546 O GLU A 102 -10.486 -6.942 1.463 1.00 0.00 O ATOM 1547 CB GLU A 102 -8.782 -8.638 -0.689 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.510 -9.864 -1.213 1.00 0.00 C ATOM 1549 CD GLU A 102 -9.303 -11.084 -0.336 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -9.798 -11.081 0.810 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -8.645 -12.041 -0.796 1.00 0.00 O ATOM 0 H GLU A 102 -8.034 -6.292 0.122 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.107 -7.291 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.872 -8.490 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.475 -8.821 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.576 -9.647 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.163 -10.084 -2.223 1.00 0.00 H new ATOM 1558 N HIS A 103 -11.855 -7.954 -0.009 1.00 0.00 N ATOM 1559 CA HIS A 103 -12.967 -8.056 0.930 1.00 0.00 C ATOM 1560 C HIS A 103 -13.502 -9.484 0.984 1.00 0.00 C ATOM 1561 O HIS A 103 -14.195 -9.933 0.070 1.00 0.00 O ATOM 1562 CB HIS A 103 -14.087 -7.094 0.533 1.00 0.00 C ATOM 1563 CG HIS A 103 -14.010 -5.768 1.225 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -12.824 -5.214 1.660 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -14.980 -4.884 1.555 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -13.069 -4.047 2.229 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -14.370 -3.823 2.178 1.00 0.00 N ATOM 0 H HIS A 103 -12.047 -8.338 -0.934 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.601 -7.786 1.920 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -14.053 -6.935 -0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -15.048 -7.556 0.757 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -11.902 -5.639 1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -16.037 -4.993 1.364 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -12.331 -3.388 2.662 1.00 0.00 H new