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 94 SER OG : rot 85:sc= 1.23 USER MOD Set 1.2: A 95 GLN : amide:sc= 1.06 K(o=2.3,f=-5.8!) USER MOD Set 2.1: A 74 ASN : amide:sc= 0.177 X(o=-0.59,f=-0.74) USER MOD Set 2.2: A 92 GLN : amide:sc= -0.763 X(o=-0.59,f=-0.74) USER MOD Single : A 15 SER OG : rot 26:sc= 0.422 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 166:sc= -0.599 (180deg=-0.793) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 112:sc= -1.16 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 0:sc= 0.555 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.17) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0948 X(o=-0.095,f=-0.47) USER MOD Single : A 60 ASN : amide:sc= -0.681 X(o=-0.68,f=-0.57) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.638 F(o=-1.8!,f=-0.64) USER MOD Single : A 65 HIS : no HE2:sc= -1.98! C(o=-2!,f=-5.5!) USER MOD Single : A 76 THR OG1 : rot 60:sc= 0.767 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 57:sc= 0.253 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 98 GLN : amide:sc= -4.52! C(o=-4.5!,f=-4.9!) USER MOD Single : A 103 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -15.558 -9.688 -2.230 1.00 0.00 N ATOM 183 CA SER A 15 -15.718 -8.249 -2.397 1.00 0.00 C ATOM 184 C SER A 15 -14.364 -7.545 -2.373 1.00 0.00 C ATOM 185 O SER A 15 -13.506 -7.853 -1.545 1.00 0.00 O ATOM 186 CB SER A 15 -16.618 -7.684 -1.297 1.00 0.00 C ATOM 187 OG SER A 15 -17.666 -8.585 -0.983 1.00 0.00 O ATOM 0 HA SER A 15 -16.184 -8.070 -3.366 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.025 -7.485 -0.404 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.038 -6.731 -1.620 1.00 0.00 H new ATOM 0 HG SER A 15 -17.388 -9.499 -1.202 1.00 0.00 H new ATOM 193 N VAL A 16 -14.180 -6.598 -3.288 1.00 0.00 N ATOM 194 CA VAL A 16 -12.932 -5.850 -3.372 1.00 0.00 C ATOM 195 C VAL A 16 -13.165 -4.364 -3.125 1.00 0.00 C ATOM 196 O VAL A 16 -14.255 -3.845 -3.369 1.00 0.00 O ATOM 197 CB VAL A 16 -12.261 -6.031 -4.747 1.00 0.00 C ATOM 198 CG1 VAL A 16 -11.303 -7.212 -4.722 1.00 0.00 C ATOM 199 CG2 VAL A 16 -13.311 -6.208 -5.833 1.00 0.00 C ATOM 0 H VAL A 16 -14.879 -6.331 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.273 -6.245 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.686 -5.133 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.838 -7.324 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.531 -7.039 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.852 -8.121 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.819 -6.334 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.915 -7.089 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.953 -5.327 -5.866 1.00 0.00 H new ATOM 209 N THR A 17 -12.132 -3.681 -2.638 1.00 0.00 N ATOM 210 CA THR A 17 -12.224 -2.254 -2.357 1.00 0.00 C ATOM 211 C THR A 17 -11.101 -1.485 -3.044 1.00 0.00 C ATOM 212 O THR A 17 -9.962 -1.950 -3.103 1.00 0.00 O ATOM 213 CB THR A 17 -12.170 -1.976 -0.843 1.00 0.00 C ATOM 214 OG1 THR A 17 -13.465 -2.168 -0.262 1.00 0.00 O ATOM 215 CG2 THR A 17 -11.692 -0.557 -0.570 1.00 0.00 C ATOM 0 H THR A 17 -11.223 -4.094 -2.430 1.00 0.00 H new ATOM 0 HA THR A 17 -13.184 -1.916 -2.747 1.00 0.00 H new ATOM 0 HB THR A 17 -11.464 -2.674 -0.393 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.421 -1.991 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.662 -0.384 0.506 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.694 -0.423 -0.987 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.377 0.153 -1.033 1.00 0.00 H new ATOM 223 N LEU A 18 -11.429 -0.306 -3.561 1.00 0.00 N ATOM 224 CA LEU A 18 -10.447 0.529 -4.244 1.00 0.00 C ATOM 225 C LEU A 18 -10.320 1.888 -3.563 1.00 0.00 C ATOM 226 O LEU A 18 -11.249 2.350 -2.900 1.00 0.00 O ATOM 227 CB LEU A 18 -10.839 0.716 -5.711 1.00 0.00 C ATOM 228 CG LEU A 18 -9.786 1.364 -6.610 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.598 0.433 -6.797 1.00 0.00 C ATOM 230 CD2 LEU A 18 -10.390 1.738 -7.956 1.00 0.00 C ATOM 0 H LEU A 18 -12.367 0.093 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.481 0.026 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.091 -0.260 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.744 1.322 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.435 2.276 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.859 0.911 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.150 0.216 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.933 -0.496 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.626 2.198 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.770 0.842 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.208 2.443 -7.805 1.00 0.00 H new ATOM 242 N ILE A 19 -9.165 2.523 -3.732 1.00 0.00 N ATOM 243 CA ILE A 19 -8.918 3.830 -3.136 1.00 0.00 C ATOM 244 C ILE A 19 -8.114 4.720 -4.077 1.00 0.00 C ATOM 245 O ILE A 19 -7.111 4.291 -4.648 1.00 0.00 O ATOM 246 CB ILE A 19 -8.166 3.705 -1.797 1.00 0.00 C ATOM 247 CG1 ILE A 19 -7.687 2.268 -1.588 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.059 4.145 -0.646 1.00 0.00 C ATOM 249 CD1 ILE A 19 -6.929 2.065 -0.295 1.00 0.00 C ATOM 0 H ILE A 19 -8.386 2.154 -4.277 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.892 4.284 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.293 4.358 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.549 1.601 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.048 1.982 -2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.514 4.051 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.355 5.184 -0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.948 3.515 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.620 1.023 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.048 2.706 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.572 2.319 0.548 1.00 0.00 H new ATOM 261 N SER A 20 -8.559 5.963 -4.232 1.00 0.00 N ATOM 262 CA SER A 20 -7.882 6.914 -5.106 1.00 0.00 C ATOM 263 C SER A 20 -7.612 8.226 -4.375 1.00 0.00 C ATOM 264 O SER A 20 -8.520 9.029 -4.164 1.00 0.00 O ATOM 265 CB SER A 20 -8.722 7.177 -6.357 1.00 0.00 C ATOM 266 OG SER A 20 -9.620 6.109 -6.602 1.00 0.00 O ATOM 0 H SER A 20 -9.385 6.335 -3.764 1.00 0.00 H new ATOM 0 HA SER A 20 -6.927 6.481 -5.403 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.280 8.105 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.067 7.310 -7.218 1.00 0.00 H new ATOM 0 HG SER A 20 -10.146 6.302 -7.406 1.00 0.00 H new ATOM 272 N MET A 21 -6.357 8.435 -3.991 1.00 0.00 N ATOM 273 CA MET A 21 -5.966 9.649 -3.285 1.00 0.00 C ATOM 274 C MET A 21 -4.757 10.300 -3.949 1.00 0.00 C ATOM 275 O MET A 21 -3.855 9.625 -4.448 1.00 0.00 O ATOM 276 CB MET A 21 -5.651 9.335 -1.821 1.00 0.00 C ATOM 277 CG MET A 21 -6.127 7.960 -1.379 1.00 0.00 C ATOM 278 SD MET A 21 -5.400 7.445 0.188 1.00 0.00 S ATOM 279 CE MET A 21 -4.886 5.776 -0.209 1.00 0.00 C ATOM 0 H MET A 21 -5.594 7.779 -4.157 1.00 0.00 H new ATOM 0 HA MET A 21 -6.801 10.348 -3.328 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.574 9.405 -1.666 1.00 0.00 H new ATOM 0 HB3 MET A 21 -6.114 10.092 -1.188 1.00 0.00 H new ATOM 0 HG2 MET A 21 -7.213 7.968 -1.286 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.878 7.229 -2.148 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.206 5.412 0.561 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.761 5.128 -0.257 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.378 5.771 -1.173 1.00 0.00 H new ATOM 289 N PRO A 22 -4.734 11.641 -3.957 1.00 0.00 N ATOM 290 CA PRO A 22 -3.640 12.410 -4.557 1.00 0.00 C ATOM 291 C PRO A 22 -2.346 12.296 -3.760 1.00 0.00 C ATOM 292 O PRO A 22 -2.340 11.795 -2.636 1.00 0.00 O ATOM 293 CB PRO A 22 -4.161 13.849 -4.527 1.00 0.00 C ATOM 294 CG PRO A 22 -5.144 13.873 -3.408 1.00 0.00 C ATOM 295 CD PRO A 22 -5.775 12.509 -3.381 1.00 0.00 C ATOM 0 HA PRO A 22 -3.391 12.053 -5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.352 14.560 -4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.631 14.120 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.652 14.094 -2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.895 14.647 -3.565 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.035 12.206 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.693 12.479 -3.968 1.00 0.00 H new ATOM 303 N ALA A 23 -1.250 12.764 -4.349 1.00 0.00 N ATOM 304 CA ALA A 23 0.050 12.716 -3.691 1.00 0.00 C ATOM 305 C ALA A 23 0.023 13.470 -2.366 1.00 0.00 C ATOM 306 O ALA A 23 -1.025 13.594 -1.731 1.00 0.00 O ATOM 307 CB ALA A 23 1.124 13.289 -4.604 1.00 0.00 C ATOM 0 H ALA A 23 -1.237 13.180 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 23 0.285 11.673 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.090 13.247 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.169 12.706 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.884 14.325 -4.843 1.00 0.00 H new ATOM 391 N ARG A 29 4.573 9.951 3.076 1.00 0.00 N ATOM 392 CA ARG A 29 4.020 8.649 2.724 1.00 0.00 C ATOM 393 C ARG A 29 2.537 8.575 3.079 1.00 0.00 C ATOM 394 O ARG A 29 1.676 8.607 2.201 1.00 0.00 O ATOM 395 CB ARG A 29 4.783 7.535 3.442 1.00 0.00 C ATOM 396 CG ARG A 29 5.401 6.515 2.501 1.00 0.00 C ATOM 397 CD ARG A 29 6.916 6.487 2.626 1.00 0.00 C ATOM 398 NE ARG A 29 7.362 5.571 3.672 1.00 0.00 N ATOM 399 CZ ARG A 29 8.640 5.320 3.934 1.00 0.00 C ATOM 400 NH1 ARG A 29 9.594 5.914 3.229 1.00 0.00 N ATOM 401 NH2 ARG A 29 8.967 4.475 4.903 1.00 0.00 N ATOM 0 HA ARG A 29 4.126 8.516 1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.571 7.980 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.104 7.023 4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.999 5.526 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.124 6.752 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.353 6.189 1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.280 7.491 2.844 1.00 0.00 H new ATOM 0 HE ARG A 29 6.653 5.098 4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.347 6.565 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.574 5.720 3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.237 4.017 5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.949 4.283 5.103 1.00 0.00 H new ATOM 415 N GLY A 30 2.248 8.475 4.373 1.00 0.00 N ATOM 416 CA GLY A 30 0.870 8.397 4.821 1.00 0.00 C ATOM 417 C GLY A 30 0.564 7.093 5.530 1.00 0.00 C ATOM 418 O GLY A 30 -0.264 7.052 6.441 1.00 0.00 O ATOM 0 H GLY A 30 2.943 8.447 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.662 9.230 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.206 8.505 3.964 1.00 0.00 H new ATOM 422 N PHE A 31 1.231 6.022 5.112 1.00 0.00 N ATOM 423 CA PHE A 31 1.024 4.710 5.712 1.00 0.00 C ATOM 424 C PHE A 31 2.187 3.775 5.390 1.00 0.00 C ATOM 425 O PHE A 31 2.877 3.949 4.386 1.00 0.00 O ATOM 426 CB PHE A 31 -0.288 4.100 5.216 1.00 0.00 C ATOM 427 CG PHE A 31 -0.321 3.874 3.732 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.680 4.897 2.870 1.00 0.00 C ATOM 429 CD2 PHE A 31 0.007 2.638 3.198 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.711 4.693 1.503 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.021 2.428 1.833 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.382 3.456 0.984 1.00 0.00 C ATOM 0 H PHE A 31 1.920 6.038 4.360 1.00 0.00 H new ATOM 0 HA PHE A 31 0.971 4.837 6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.452 3.150 5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.113 4.757 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.939 5.866 3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.288 1.830 3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.992 5.500 0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.239 1.460 1.430 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.407 3.293 -0.083 1.00 0.00 H new ATOM 442 N SER A 32 2.396 2.783 6.249 1.00 0.00 N ATOM 443 CA SER A 32 3.477 1.822 6.059 1.00 0.00 C ATOM 444 C SER A 32 2.942 0.504 5.510 1.00 0.00 C ATOM 445 O SER A 32 1.764 0.184 5.670 1.00 0.00 O ATOM 446 CB SER A 32 4.209 1.578 7.380 1.00 0.00 C ATOM 447 OG SER A 32 4.513 2.801 8.029 1.00 0.00 O ATOM 0 H SER A 32 1.831 2.623 7.083 1.00 0.00 H new ATOM 0 HA SER A 32 4.177 2.239 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.592 0.960 8.032 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.129 1.024 7.193 1.00 0.00 H new ATOM 0 HG SER A 32 4.979 2.617 8.871 1.00 0.00 H new ATOM 453 N VAL A 33 3.816 -0.259 4.861 1.00 0.00 N ATOM 454 CA VAL A 33 3.433 -1.544 4.288 1.00 0.00 C ATOM 455 C VAL A 33 4.411 -2.640 4.695 1.00 0.00 C ATOM 456 O VAL A 33 5.527 -2.361 5.136 1.00 0.00 O ATOM 457 CB VAL A 33 3.367 -1.475 2.751 1.00 0.00 C ATOM 458 CG1 VAL A 33 2.240 -0.556 2.305 1.00 0.00 C ATOM 459 CG2 VAL A 33 4.700 -1.014 2.180 1.00 0.00 C ATOM 0 H VAL A 33 4.795 -0.009 4.719 1.00 0.00 H new ATOM 0 HA VAL A 33 2.443 -1.782 4.677 1.00 0.00 H new ATOM 0 HB VAL A 33 3.161 -2.475 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.209 -0.520 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.290 -0.935 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.412 0.447 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.635 -0.971 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.939 -0.024 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.482 -1.716 2.469 1.00 0.00 H new ATOM 469 N THR A 34 3.986 -3.891 4.545 1.00 0.00 N ATOM 470 CA THR A 34 4.823 -5.030 4.897 1.00 0.00 C ATOM 471 C THR A 34 5.095 -5.910 3.682 1.00 0.00 C ATOM 472 O THR A 34 4.168 -6.339 2.995 1.00 0.00 O ATOM 473 CB THR A 34 4.173 -5.885 6.001 1.00 0.00 C ATOM 474 OG1 THR A 34 4.435 -5.310 7.285 1.00 0.00 O ATOM 475 CG2 THR A 34 4.699 -7.312 5.961 1.00 0.00 C ATOM 0 H THR A 34 3.066 -4.140 4.182 1.00 0.00 H new ATOM 0 HA THR A 34 5.765 -4.627 5.268 1.00 0.00 H new ATOM 0 HB THR A 34 3.097 -5.906 5.827 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.600 -4.967 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.226 -7.897 6.750 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.470 -7.757 4.993 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.778 -7.306 6.112 1.00 0.00 H new ATOM 483 N VAL A 35 6.371 -6.175 3.423 1.00 0.00 N ATOM 484 CA VAL A 35 6.764 -7.006 2.291 1.00 0.00 C ATOM 485 C VAL A 35 7.264 -8.369 2.757 1.00 0.00 C ATOM 486 O VAL A 35 7.998 -8.469 3.739 1.00 0.00 O ATOM 487 CB VAL A 35 7.864 -6.328 1.452 1.00 0.00 C ATOM 488 CG1 VAL A 35 8.319 -7.244 0.327 1.00 0.00 C ATOM 489 CG2 VAL A 35 7.370 -4.999 0.901 1.00 0.00 C ATOM 0 H VAL A 35 7.150 -5.827 3.981 1.00 0.00 H new ATOM 0 HA VAL A 35 5.876 -7.139 1.673 1.00 0.00 H new ATOM 0 HB VAL A 35 8.720 -6.132 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.096 -6.748 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.715 -8.168 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.472 -7.474 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.160 -4.534 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.497 -5.168 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.099 -4.341 1.727 1.00 0.00 H new ATOM 499 N GLU A 36 6.860 -9.416 2.044 1.00 0.00 N ATOM 500 CA GLU A 36 7.267 -10.774 2.385 1.00 0.00 C ATOM 501 C GLU A 36 7.612 -11.570 1.130 1.00 0.00 C ATOM 502 O GLU A 36 6.780 -11.736 0.239 1.00 0.00 O ATOM 503 CB GLU A 36 6.157 -11.483 3.163 1.00 0.00 C ATOM 504 CG GLU A 36 5.771 -10.778 4.453 1.00 0.00 C ATOM 505 CD GLU A 36 6.635 -11.196 5.627 1.00 0.00 C ATOM 506 OE1 GLU A 36 7.141 -12.338 5.615 1.00 0.00 O ATOM 507 OE2 GLU A 36 6.805 -10.381 6.557 1.00 0.00 O ATOM 0 H GLU A 36 6.252 -9.350 1.228 1.00 0.00 H new ATOM 0 HA GLU A 36 8.157 -10.712 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.276 -11.567 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.480 -12.498 3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.853 -9.700 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.727 -10.991 4.681 1.00 0.00 H new ATOM 514 N SER A 37 8.846 -12.061 1.068 1.00 0.00 N ATOM 515 CA SER A 37 9.304 -12.836 -0.079 1.00 0.00 C ATOM 516 C SER A 37 9.614 -14.274 0.326 1.00 0.00 C ATOM 517 O SER A 37 10.587 -14.535 1.032 1.00 0.00 O ATOM 518 CB SER A 37 10.545 -12.189 -0.696 1.00 0.00 C ATOM 519 OG SER A 37 11.391 -13.164 -1.281 1.00 0.00 O ATOM 0 H SER A 37 9.546 -11.936 1.799 1.00 0.00 H new ATOM 0 HA SER A 37 8.504 -12.850 -0.820 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.243 -11.464 -1.452 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.092 -11.641 0.071 1.00 0.00 H new ATOM 0 HG SER A 37 12.176 -12.725 -1.670 1.00 0.00 H new ATOM 571 N TYR A 42 11.170 -11.820 -6.102 1.00 0.00 N ATOM 572 CA TYR A 42 9.969 -11.021 -6.310 1.00 0.00 C ATOM 573 C TYR A 42 9.029 -11.129 -5.113 1.00 0.00 C ATOM 574 O TYR A 42 9.058 -12.111 -4.373 1.00 0.00 O ATOM 575 CB TYR A 42 9.247 -11.468 -7.582 1.00 0.00 C ATOM 576 CG TYR A 42 8.622 -12.841 -7.472 1.00 0.00 C ATOM 577 CD1 TYR A 42 9.408 -13.986 -7.477 1.00 0.00 C ATOM 578 CD2 TYR A 42 7.245 -12.992 -7.363 1.00 0.00 C ATOM 579 CE1 TYR A 42 8.841 -15.242 -7.378 1.00 0.00 C ATOM 580 CE2 TYR A 42 6.669 -14.244 -7.262 1.00 0.00 C ATOM 581 CZ TYR A 42 7.471 -15.366 -7.270 1.00 0.00 C ATOM 582 OH TYR A 42 6.903 -16.615 -7.170 1.00 0.00 O ATOM 0 HA TYR A 42 10.271 -9.979 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.470 -10.742 -7.823 1.00 0.00 H new ATOM 0 HB3 TYR A 42 9.954 -11.465 -8.411 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.481 -13.893 -7.560 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.614 -12.116 -7.357 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.467 -16.122 -7.385 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.597 -14.343 -7.177 1.00 0.00 H new ATOM 0 HH TYR A 42 5.929 -16.527 -7.100 1.00 0.00 H new ATOM 592 N ALA A 43 8.194 -10.111 -4.931 1.00 0.00 N ATOM 593 CA ALA A 43 7.243 -10.091 -3.827 1.00 0.00 C ATOM 594 C ALA A 43 6.260 -11.252 -3.928 1.00 0.00 C ATOM 595 O ALA A 43 6.231 -11.971 -4.928 1.00 0.00 O ATOM 596 CB ALA A 43 6.496 -8.766 -3.797 1.00 0.00 C ATOM 0 H ALA A 43 8.157 -9.289 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 43 7.802 -10.202 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.789 -8.766 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.207 -7.950 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.956 -8.632 -4.734 1.00 0.00 H new ATOM 602 N THR A 44 5.454 -11.433 -2.886 1.00 0.00 N ATOM 603 CA THR A 44 4.471 -12.508 -2.857 1.00 0.00 C ATOM 604 C THR A 44 3.272 -12.134 -1.992 1.00 0.00 C ATOM 605 O THR A 44 2.122 -12.300 -2.401 1.00 0.00 O ATOM 606 CB THR A 44 5.085 -13.817 -2.326 1.00 0.00 C ATOM 607 OG1 THR A 44 5.913 -13.543 -1.190 1.00 0.00 O ATOM 608 CG2 THR A 44 5.907 -14.506 -3.405 1.00 0.00 C ATOM 0 H THR A 44 5.463 -10.848 -2.051 1.00 0.00 H new ATOM 0 HA THR A 44 4.140 -12.661 -3.884 1.00 0.00 H new ATOM 0 HB THR A 44 4.272 -14.481 -2.032 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.902 -12.581 -1.001 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.331 -15.428 -3.007 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.268 -14.739 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.713 -13.846 -3.726 1.00 0.00 H new ATOM 616 N THR A 45 3.548 -11.628 -0.794 1.00 0.00 N ATOM 617 CA THR A 45 2.492 -11.231 0.129 1.00 0.00 C ATOM 618 C THR A 45 2.648 -9.774 0.549 1.00 0.00 C ATOM 619 O THR A 45 3.764 -9.285 0.728 1.00 0.00 O ATOM 620 CB THR A 45 2.484 -12.118 1.388 1.00 0.00 C ATOM 621 OG1 THR A 45 2.595 -13.497 1.017 1.00 0.00 O ATOM 622 CG2 THR A 45 1.211 -11.906 2.192 1.00 0.00 C ATOM 0 H THR A 45 4.494 -11.484 -0.440 1.00 0.00 H new ATOM 0 HA THR A 45 1.547 -11.355 -0.400 1.00 0.00 H new ATOM 0 HB THR A 45 3.337 -11.838 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.591 -14.054 1.823 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.229 -12.543 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.144 -10.862 2.498 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.347 -12.160 1.579 1.00 0.00 H new ATOM 630 N VAL A 46 1.523 -9.084 0.705 1.00 0.00 N ATOM 631 CA VAL A 46 1.535 -7.683 1.106 1.00 0.00 C ATOM 632 C VAL A 46 0.418 -7.386 2.101 1.00 0.00 C ATOM 633 O VAL A 46 -0.728 -7.784 1.898 1.00 0.00 O ATOM 634 CB VAL A 46 1.385 -6.750 -0.110 1.00 0.00 C ATOM 635 CG1 VAL A 46 0.889 -5.379 0.326 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.704 -6.635 -0.859 1.00 0.00 C ATOM 0 H VAL A 46 0.591 -9.473 0.560 1.00 0.00 H new ATOM 0 HA VAL A 46 2.499 -7.498 1.580 1.00 0.00 H new ATOM 0 HB VAL A 46 0.646 -7.179 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.789 -4.734 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.080 -5.481 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.602 -4.939 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.580 -5.972 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.466 -6.229 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.013 -7.621 -1.206 1.00 0.00 H new ATOM 646 N GLN A 47 0.762 -6.685 3.176 1.00 0.00 N ATOM 647 CA GLN A 47 -0.212 -6.335 4.203 1.00 0.00 C ATOM 648 C GLN A 47 0.072 -4.950 4.774 1.00 0.00 C ATOM 649 O GLN A 47 1.221 -4.605 5.051 1.00 0.00 O ATOM 650 CB GLN A 47 -0.197 -7.375 5.325 1.00 0.00 C ATOM 651 CG GLN A 47 1.121 -7.438 6.079 1.00 0.00 C ATOM 652 CD GLN A 47 1.213 -8.643 6.994 1.00 0.00 C ATOM 653 OE1 GLN A 47 0.681 -8.636 8.105 1.00 0.00 O ATOM 654 NE2 GLN A 47 1.891 -9.687 6.532 1.00 0.00 N ATOM 0 H GLN A 47 1.707 -6.348 3.359 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.200 -6.322 3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.998 -7.149 6.029 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.411 -8.357 4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.943 -7.466 5.364 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.242 -6.529 6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.316 -9.650 5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.987 -10.526 7.104 1.00 0.00 H new ATOM 663 N VAL A 48 -0.982 -4.159 4.949 1.00 0.00 N ATOM 664 CA VAL A 48 -0.846 -2.811 5.488 1.00 0.00 C ATOM 665 C VAL A 48 -0.463 -2.845 6.963 1.00 0.00 C ATOM 666 O VAL A 48 -1.285 -3.164 7.822 1.00 0.00 O ATOM 667 CB VAL A 48 -2.149 -2.007 5.325 1.00 0.00 C ATOM 668 CG1 VAL A 48 -1.902 -0.530 5.589 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.736 -2.219 3.937 1.00 0.00 C ATOM 0 H VAL A 48 -1.940 -4.429 4.725 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.054 -2.322 4.921 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.871 -2.366 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.834 0.022 5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.531 -0.399 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.163 -0.153 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.656 -1.643 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.020 -1.888 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.953 -3.277 3.791 1.00 0.00 H new ATOM 679 N LYS A 49 0.791 -2.513 7.251 1.00 0.00 N ATOM 680 CA LYS A 49 1.284 -2.504 8.623 1.00 0.00 C ATOM 681 C LYS A 49 0.497 -1.515 9.477 1.00 0.00 C ATOM 682 O LYS A 49 -0.222 -1.909 10.395 1.00 0.00 O ATOM 683 CB LYS A 49 2.772 -2.146 8.650 1.00 0.00 C ATOM 684 CG LYS A 49 3.518 -2.736 9.834 1.00 0.00 C ATOM 685 CD LYS A 49 4.815 -3.399 9.401 1.00 0.00 C ATOM 686 CE LYS A 49 5.958 -3.056 10.344 1.00 0.00 C ATOM 687 NZ LYS A 49 6.512 -1.700 10.073 1.00 0.00 N ATOM 0 H LYS A 49 1.485 -2.247 6.552 1.00 0.00 H new ATOM 0 HA LYS A 49 1.149 -3.503 9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.238 -2.494 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.876 -1.061 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.734 -1.950 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.885 -3.467 10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.680 -4.480 9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.068 -3.080 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.606 -3.105 11.374 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.749 -3.799 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.289 -1.503 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.871 -1.660 9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.764 -0.988 10.196 1.00 0.00 H new ATOM 701 N GLU A 50 0.639 -0.230 9.168 1.00 0.00 N ATOM 702 CA GLU A 50 -0.060 0.815 9.908 1.00 0.00 C ATOM 703 C GLU A 50 -0.648 1.854 8.958 1.00 0.00 C ATOM 704 O GLU A 50 -0.218 1.977 7.811 1.00 0.00 O ATOM 705 CB GLU A 50 0.890 1.492 10.898 1.00 0.00 C ATOM 706 CG GLU A 50 1.930 0.552 11.483 1.00 0.00 C ATOM 707 CD GLU A 50 3.037 1.288 12.213 1.00 0.00 C ATOM 708 OE1 GLU A 50 2.805 2.440 12.637 1.00 0.00 O ATOM 709 OE2 GLU A 50 4.135 0.712 12.361 1.00 0.00 O ATOM 0 H GLU A 50 1.231 0.112 8.411 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.877 0.350 10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.398 2.315 10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.306 1.925 11.710 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.443 -0.139 12.171 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.364 -0.047 10.683 1.00 0.00 H new ATOM 716 N VAL A 51 -1.635 2.601 9.444 1.00 0.00 N ATOM 717 CA VAL A 51 -2.282 3.630 8.640 1.00 0.00 C ATOM 718 C VAL A 51 -2.538 4.889 9.461 1.00 0.00 C ATOM 719 O VAL A 51 -3.045 4.820 10.580 1.00 0.00 O ATOM 720 CB VAL A 51 -3.617 3.130 8.057 1.00 0.00 C ATOM 721 CG1 VAL A 51 -4.132 4.094 6.999 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.456 1.731 7.482 1.00 0.00 C ATOM 0 H VAL A 51 -2.003 2.512 10.391 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.602 3.866 7.821 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.351 3.085 8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.076 3.724 6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.287 5.076 7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.402 4.174 6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.409 1.393 7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.708 1.747 6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.136 1.049 8.269 1.00 0.00 H new ATOM 732 N ASN A 52 -2.185 6.039 8.897 1.00 0.00 N ATOM 733 CA ASN A 52 -2.376 7.315 9.577 1.00 0.00 C ATOM 734 C ASN A 52 -3.586 8.055 9.014 1.00 0.00 C ATOM 735 O ASN A 52 -3.701 8.247 7.804 1.00 0.00 O ATOM 736 CB ASN A 52 -1.124 8.183 9.440 1.00 0.00 C ATOM 737 CG ASN A 52 -0.522 8.546 10.784 1.00 0.00 C ATOM 738 OD1 ASN A 52 -0.509 9.836 11.097 1.00 0.00 O flip ATOM 739 ND2 ASN A 52 -0.074 7.676 11.531 1.00 0.00 N flip ATOM 0 H ASN A 52 -1.765 6.114 7.971 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.555 7.112 10.633 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.381 7.653 8.844 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.375 9.095 8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.105 6.696 11.249 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.328 7.935 12.432 1.00 0.00 H new ATOM 746 N ARG A 53 -4.485 8.469 9.901 1.00 0.00 N ATOM 747 CA ARG A 53 -5.686 9.188 9.493 1.00 0.00 C ATOM 748 C ARG A 53 -5.406 10.682 9.359 1.00 0.00 C ATOM 749 O ARG A 53 -6.220 11.429 8.817 1.00 0.00 O ATOM 750 CB ARG A 53 -6.811 8.958 10.504 1.00 0.00 C ATOM 751 CG ARG A 53 -6.951 7.509 10.940 1.00 0.00 C ATOM 752 CD ARG A 53 -7.121 7.395 12.447 1.00 0.00 C ATOM 753 NE ARG A 53 -5.900 7.753 13.164 1.00 0.00 N ATOM 754 CZ ARG A 53 -5.846 7.934 14.479 1.00 0.00 C ATOM 755 NH1 ARG A 53 -6.939 7.791 15.216 1.00 0.00 N ATOM 756 NH2 ARG A 53 -4.698 8.258 15.059 1.00 0.00 N ATOM 0 H ARG A 53 -4.404 8.319 10.907 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.996 8.805 8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.631 9.577 11.383 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.753 9.290 10.068 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.809 7.059 10.441 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.070 6.947 10.628 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.935 8.044 12.770 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.406 6.375 12.704 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.042 7.870 12.626 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.823 7.542 14.773 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.895 7.930 16.225 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.855 8.369 14.495 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.658 8.397 16.069 1.00 0.00 H new ATOM 770 N MET A 54 -4.251 11.110 9.857 1.00 0.00 N ATOM 771 CA MET A 54 -3.864 12.514 9.792 1.00 0.00 C ATOM 772 C MET A 54 -3.432 12.894 8.379 1.00 0.00 C ATOM 773 O MET A 54 -3.846 13.926 7.849 1.00 0.00 O ATOM 774 CB MET A 54 -2.730 12.799 10.779 1.00 0.00 C ATOM 775 CG MET A 54 -1.986 14.094 10.492 1.00 0.00 C ATOM 776 SD MET A 54 -3.090 15.512 10.347 1.00 0.00 S ATOM 777 CE MET A 54 -1.945 16.862 10.615 1.00 0.00 C ATOM 0 H MET A 54 -3.567 10.504 10.310 1.00 0.00 H new ATOM 0 HA MET A 54 -4.731 13.117 10.062 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.140 12.841 11.788 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.022 11.970 10.756 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.266 14.279 11.289 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.418 13.985 9.568 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.480 17.810 10.556 1.00 0.00 H new ATOM 0 HE2 MET A 54 -1.490 16.763 11.601 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.167 16.836 9.852 1.00 0.00 H new ATOM 787 N HIS A 55 -2.598 12.054 7.774 1.00 0.00 N ATOM 788 CA HIS A 55 -2.110 12.303 6.422 1.00 0.00 C ATOM 789 C HIS A 55 -3.161 11.915 5.386 1.00 0.00 C ATOM 790 O HIS A 55 -3.127 12.385 4.248 1.00 0.00 O ATOM 791 CB HIS A 55 -0.819 11.524 6.172 1.00 0.00 C ATOM 792 CG HIS A 55 0.291 12.365 5.619 1.00 0.00 C ATOM 793 ND1 HIS A 55 0.731 13.523 6.225 1.00 0.00 N ATOM 794 CD2 HIS A 55 1.051 12.210 4.511 1.00 0.00 C ATOM 795 CE1 HIS A 55 1.713 14.044 5.512 1.00 0.00 C ATOM 796 NE2 HIS A 55 1.927 13.266 4.467 1.00 0.00 N ATOM 0 H HIS A 55 -2.246 11.196 8.198 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.906 13.369 6.326 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.490 11.072 7.108 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.025 10.708 5.479 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.982 11.405 3.794 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.250 14.952 5.744 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.629 13.424 3.744 1.00 0.00 H new ATOM 805 N ILE A 56 -4.091 11.055 5.787 1.00 0.00 N ATOM 806 CA ILE A 56 -5.151 10.605 4.893 1.00 0.00 C ATOM 807 C ILE A 56 -6.501 11.180 5.308 1.00 0.00 C ATOM 808 O ILE A 56 -7.138 10.686 6.239 1.00 0.00 O ATOM 809 CB ILE A 56 -5.247 9.069 4.863 1.00 0.00 C ATOM 810 CG1 ILE A 56 -3.861 8.453 4.662 1.00 0.00 C ATOM 811 CG2 ILE A 56 -6.196 8.619 3.762 1.00 0.00 C ATOM 812 CD1 ILE A 56 -3.864 6.940 4.673 1.00 0.00 C ATOM 0 H ILE A 56 -4.132 10.656 6.725 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.897 10.964 3.896 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.641 8.726 5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.452 8.800 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.195 8.813 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.253 7.531 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.188 9.033 3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.828 8.971 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.848 6.573 4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.243 6.584 5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.503 6.572 3.871 1.00 0.00 H new ATOM 824 N SER A 57 -6.933 12.226 4.611 1.00 0.00 N ATOM 825 CA SER A 57 -8.207 12.869 4.908 1.00 0.00 C ATOM 826 C SER A 57 -9.280 11.831 5.224 1.00 0.00 C ATOM 827 O SER A 57 -9.241 10.696 4.747 1.00 0.00 O ATOM 828 CB SER A 57 -8.652 13.736 3.728 1.00 0.00 C ATOM 829 OG SER A 57 -9.918 13.325 3.242 1.00 0.00 O ATOM 0 H SER A 57 -6.419 12.646 3.837 1.00 0.00 H new ATOM 0 HA SER A 57 -8.070 13.502 5.784 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.699 14.780 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.914 13.674 2.928 1.00 0.00 H new ATOM 0 HG SER A 57 -10.180 13.895 2.490 1.00 0.00 H new ATOM 835 N PRO A 58 -10.261 12.227 6.047 1.00 0.00 N ATOM 836 CA PRO A 58 -11.364 11.347 6.446 1.00 0.00 C ATOM 837 C PRO A 58 -12.317 11.053 5.293 1.00 0.00 C ATOM 838 O PRO A 58 -13.462 11.504 5.291 1.00 0.00 O ATOM 839 CB PRO A 58 -12.078 12.146 7.539 1.00 0.00 C ATOM 840 CG PRO A 58 -11.755 13.569 7.241 1.00 0.00 C ATOM 841 CD PRO A 58 -10.371 13.565 6.653 1.00 0.00 C ATOM 0 HA PRO A 58 -11.008 10.371 6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.154 11.972 7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.728 11.860 8.531 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.475 13.994 6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.793 14.176 8.146 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.248 14.354 5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.610 13.724 7.417 1.00 0.00 H new ATOM 849 N ASN A 59 -11.837 10.294 4.313 1.00 0.00 N ATOM 850 CA ASN A 59 -12.647 9.940 3.153 1.00 0.00 C ATOM 851 C ASN A 59 -12.114 8.677 2.483 1.00 0.00 C ATOM 852 O ASN A 59 -12.879 7.781 2.129 1.00 0.00 O ATOM 853 CB ASN A 59 -12.668 11.094 2.149 1.00 0.00 C ATOM 854 CG ASN A 59 -14.058 11.670 1.960 1.00 0.00 C ATOM 855 OD1 ASN A 59 -15.048 10.938 1.934 1.00 0.00 O ATOM 856 ND2 ASN A 59 -14.139 12.989 1.826 1.00 0.00 N ATOM 0 H ASN A 59 -10.891 9.912 4.299 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.664 9.747 3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.995 11.881 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.289 10.744 1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.048 13.433 1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.292 13.557 1.854 1.00 0.00 H new ATOM 863 N ASN A 60 -10.798 8.615 2.312 1.00 0.00 N ATOM 864 CA ASN A 60 -10.162 7.462 1.684 1.00 0.00 C ATOM 865 C ASN A 60 -9.636 6.491 2.736 1.00 0.00 C ATOM 866 O ASN A 60 -9.227 5.375 2.416 1.00 0.00 O ATOM 867 CB ASN A 60 -9.019 7.916 0.775 1.00 0.00 C ATOM 868 CG ASN A 60 -9.310 9.241 0.097 1.00 0.00 C ATOM 869 OD1 ASN A 60 -10.437 9.499 -0.327 1.00 0.00 O ATOM 870 ND2 ASN A 60 -8.293 10.088 -0.009 1.00 0.00 N ATOM 0 H ASN A 60 -10.151 9.349 2.599 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.912 6.947 1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.105 8.005 1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.838 7.155 0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.429 10.995 -0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.376 9.832 0.357 1.00 0.00 H new ATOM 877 N ARG A 61 -9.649 6.924 3.992 1.00 0.00 N ATOM 878 CA ARG A 61 -9.172 6.094 5.092 1.00 0.00 C ATOM 879 C ARG A 61 -10.226 5.067 5.494 1.00 0.00 C ATOM 880 O ARG A 61 -9.926 4.091 6.181 1.00 0.00 O ATOM 881 CB ARG A 61 -8.807 6.964 6.296 1.00 0.00 C ATOM 882 CG ARG A 61 -9.943 7.857 6.768 1.00 0.00 C ATOM 883 CD ARG A 61 -10.660 7.258 7.968 1.00 0.00 C ATOM 884 NE ARG A 61 -11.151 8.287 8.881 1.00 0.00 N ATOM 885 CZ ARG A 61 -12.032 8.051 9.848 1.00 0.00 C ATOM 886 NH1 ARG A 61 -12.514 6.829 10.026 1.00 0.00 N ATOM 887 NH2 ARG A 61 -12.431 9.039 10.638 1.00 0.00 N ATOM 0 H ARG A 61 -9.985 7.845 4.274 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.282 5.563 4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.497 6.320 7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.950 7.586 6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.550 8.839 7.030 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.653 8.005 5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.496 6.649 7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.981 6.594 8.502 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.799 9.238 8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.209 6.067 9.420 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.190 6.651 10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.062 9.980 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.107 8.857 11.380 1.00 0.00 H new ATOM 901 N ASN A 62 -11.462 5.294 5.061 1.00 0.00 N ATOM 902 CA ASN A 62 -12.561 4.389 5.377 1.00 0.00 C ATOM 903 C ASN A 62 -12.462 3.106 4.558 1.00 0.00 C ATOM 904 O ASN A 62 -13.094 2.101 4.882 1.00 0.00 O ATOM 905 CB ASN A 62 -13.904 5.073 5.114 1.00 0.00 C ATOM 906 CG ASN A 62 -14.816 4.238 4.237 1.00 0.00 C ATOM 907 OD1 ASN A 62 -14.452 4.099 2.967 1.00 0.00 O flip ATOM 908 ND2 ASN A 62 -15.836 3.723 4.695 1.00 0.00 N flip ATOM 0 H ASN A 62 -11.727 6.097 4.490 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.493 4.130 6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.400 5.271 6.064 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.730 6.038 4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.078 3.856 5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.440 3.163 4.092 1.00 0.00 H new ATOM 915 N ALA A 63 -11.664 3.149 3.496 1.00 0.00 N ATOM 916 CA ALA A 63 -11.479 1.989 2.632 1.00 0.00 C ATOM 917 C ALA A 63 -10.220 1.217 3.011 1.00 0.00 C ATOM 918 O ALA A 63 -10.043 0.066 2.611 1.00 0.00 O ATOM 919 CB ALA A 63 -11.418 2.422 1.175 1.00 0.00 C ATOM 0 H ALA A 63 -11.135 3.974 3.213 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.333 1.326 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.280 1.546 0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.348 2.922 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.583 3.108 1.034 1.00 0.00 H new ATOM 925 N ILE A 64 -9.348 1.858 3.782 1.00 0.00 N ATOM 926 CA ILE A 64 -8.106 1.230 4.214 1.00 0.00 C ATOM 927 C ILE A 64 -8.008 1.193 5.735 1.00 0.00 C ATOM 928 O ILE A 64 -8.761 1.874 6.433 1.00 0.00 O ATOM 929 CB ILE A 64 -6.877 1.968 3.650 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.651 1.052 3.672 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.610 3.237 4.445 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.676 1.321 2.546 1.00 0.00 C ATOM 0 H ILE A 64 -9.479 2.811 4.120 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.117 0.211 3.828 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.082 2.246 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.135 1.171 4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.981 0.015 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.739 3.747 4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.478 3.894 4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.422 2.980 5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.832 0.636 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.176 1.173 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.317 2.348 2.613 1.00 0.00 H new ATOM 944 N HIS A 65 -7.075 0.394 6.244 1.00 0.00 N ATOM 945 CA HIS A 65 -6.877 0.270 7.684 1.00 0.00 C ATOM 946 C HIS A 65 -5.757 -0.718 7.995 1.00 0.00 C ATOM 947 O HIS A 65 -5.400 -1.566 7.177 1.00 0.00 O ATOM 948 CB HIS A 65 -8.172 -0.181 8.361 1.00 0.00 C ATOM 949 CG HIS A 65 -8.735 0.831 9.311 1.00 0.00 C ATOM 950 ND1 HIS A 65 -8.795 2.179 9.026 1.00 0.00 N ATOM 951 CD2 HIS A 65 -9.266 0.685 10.547 1.00 0.00 C ATOM 952 CE1 HIS A 65 -9.337 2.819 10.047 1.00 0.00 C ATOM 953 NE2 HIS A 65 -9.633 1.935 10.983 1.00 0.00 N ATOM 0 H HIS A 65 -6.445 -0.177 5.681 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.594 1.248 8.072 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.915 -0.401 7.595 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.986 -1.110 8.901 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.471 2.614 8.162 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.380 -0.242 11.090 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.509 3.884 10.106 1.00 0.00 H new ATOM 962 N PRO A 66 -5.187 -0.605 9.204 1.00 0.00 N ATOM 963 CA PRO A 66 -4.098 -1.480 9.650 1.00 0.00 C ATOM 964 C PRO A 66 -4.567 -2.910 9.895 1.00 0.00 C ATOM 965 O PRO A 66 -5.417 -3.157 10.749 1.00 0.00 O ATOM 966 CB PRO A 66 -3.640 -0.835 10.961 1.00 0.00 C ATOM 967 CG PRO A 66 -4.833 -0.092 11.455 1.00 0.00 C ATOM 968 CD PRO A 66 -5.562 0.383 10.229 1.00 0.00 C ATOM 0 HA PRO A 66 -3.310 -1.564 8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.316 -1.587 11.680 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.796 -0.165 10.799 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.469 -0.735 12.063 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.537 0.748 12.083 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.640 0.408 10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.258 1.391 9.946 1.00 0.00 H new ATOM 976 N GLY A 67 -4.005 -3.850 9.141 1.00 0.00 N ATOM 977 CA GLY A 67 -4.378 -5.244 9.292 1.00 0.00 C ATOM 978 C GLY A 67 -5.045 -5.803 8.051 1.00 0.00 C ATOM 979 O GLY A 67 -5.617 -6.893 8.084 1.00 0.00 O ATOM 0 H GLY A 67 -3.298 -3.671 8.428 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.489 -5.832 9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.054 -5.346 10.141 1.00 0.00 H new ATOM 983 N ASP A 68 -4.973 -5.057 6.955 1.00 0.00 N ATOM 984 CA ASP A 68 -5.575 -5.484 5.698 1.00 0.00 C ATOM 985 C ASP A 68 -4.527 -6.094 4.772 1.00 0.00 C ATOM 986 O ASP A 68 -3.426 -6.435 5.205 1.00 0.00 O ATOM 987 CB ASP A 68 -6.258 -4.303 5.007 1.00 0.00 C ATOM 988 CG ASP A 68 -7.133 -3.505 5.954 1.00 0.00 C ATOM 989 OD1 ASP A 68 -7.130 -3.811 7.165 1.00 0.00 O ATOM 990 OD2 ASP A 68 -7.820 -2.574 5.484 1.00 0.00 O ATOM 0 H ASP A 68 -4.503 -4.153 6.912 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.322 -6.245 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.499 -3.648 4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.865 -4.671 4.180 1.00 0.00 H new ATOM 995 N ARG A 69 -4.876 -6.228 3.497 1.00 0.00 N ATOM 996 CA ARG A 69 -3.966 -6.799 2.512 1.00 0.00 C ATOM 997 C ARG A 69 -4.197 -6.179 1.136 1.00 0.00 C ATOM 998 O ARG A 69 -5.333 -6.075 0.674 1.00 0.00 O ATOM 999 CB ARG A 69 -4.147 -8.316 2.436 1.00 0.00 C ATOM 1000 CG ARG A 69 -5.377 -8.820 3.174 1.00 0.00 C ATOM 1001 CD ARG A 69 -5.730 -10.240 2.762 1.00 0.00 C ATOM 1002 NE ARG A 69 -5.077 -11.234 3.610 1.00 0.00 N ATOM 1003 CZ ARG A 69 -5.032 -12.530 3.323 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -5.600 -12.987 2.215 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -4.419 -13.372 4.144 1.00 0.00 N ATOM 0 H ARG A 69 -5.783 -5.949 3.122 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.946 -6.578 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.214 -8.613 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.262 -8.800 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.198 -8.786 4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.221 -8.160 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.811 -10.374 2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.437 -10.400 1.724 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.631 -10.915 4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.073 -12.343 1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.564 -13.983 1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.981 -13.025 4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.385 -14.367 3.922 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.112 -5.770 0.488 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.196 -5.162 -0.834 1.00 0.00 C ATOM 1021 C ILE A 70 -2.923 -6.188 -1.929 1.00 0.00 C ATOM 1022 O ILE A 70 -1.986 -6.982 -1.833 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.203 -3.994 -0.981 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.318 -3.045 0.213 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -2.452 -3.248 -2.284 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -1.027 -2.326 0.540 1.00 0.00 C ATOM 0 H ILE A 70 -2.164 -5.849 0.857 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.211 -4.780 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.191 -4.398 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.093 -2.307 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.641 -3.611 1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.743 -2.425 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.324 -3.931 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.468 -2.853 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.183 -1.670 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.254 -3.057 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.713 -1.732 -0.319 1.00 0.00 H new ATOM 1038 N LEU A 71 -3.746 -6.165 -2.972 1.00 0.00 N ATOM 1039 CA LEU A 71 -3.593 -7.091 -4.088 1.00 0.00 C ATOM 1040 C LEU A 71 -2.866 -6.426 -5.252 1.00 0.00 C ATOM 1041 O LEU A 71 -2.139 -7.082 -5.998 1.00 0.00 O ATOM 1042 CB LEU A 71 -4.962 -7.597 -4.548 1.00 0.00 C ATOM 1043 CG LEU A 71 -5.952 -7.955 -3.440 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -7.354 -8.115 -4.008 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -5.516 -9.227 -2.726 1.00 0.00 C ATOM 0 H LEU A 71 -4.526 -5.515 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.996 -7.937 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.416 -6.834 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.811 -8.478 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.966 -7.141 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.045 -8.370 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.667 -7.180 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.356 -8.910 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.232 -9.467 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.473 -10.049 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.530 -9.077 -2.285 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.066 -5.120 -5.400 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.428 -4.366 -6.472 1.00 0.00 C ATOM 1059 C GLU A 72 -2.208 -2.914 -6.061 1.00 0.00 C ATOM 1060 O GLU A 72 -2.993 -2.348 -5.300 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.279 -4.424 -7.743 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.811 -5.813 -8.056 1.00 0.00 C ATOM 1063 CD GLU A 72 -4.744 -5.824 -9.252 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -5.248 -4.742 -9.620 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -4.969 -6.913 -9.819 1.00 0.00 O ATOM 0 H GLU A 72 -3.665 -4.563 -4.791 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.457 -4.820 -6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.119 -3.737 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.683 -4.074 -8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.974 -6.484 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.339 -6.201 -7.185 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.134 -2.317 -6.568 1.00 0.00 N ATOM 1073 CA ILE A 73 -0.811 -0.931 -6.254 1.00 0.00 C ATOM 1074 C ILE A 73 -0.540 -0.129 -7.521 1.00 0.00 C ATOM 1075 O ILE A 73 0.223 -0.556 -8.387 1.00 0.00 O ATOM 1076 CB ILE A 73 0.416 -0.836 -5.327 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.126 -1.518 -3.989 1.00 0.00 C ATOM 1078 CG2 ILE A 73 0.806 0.619 -5.113 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.302 -1.507 -3.037 1.00 0.00 C ATOM 0 H ILE A 73 -0.473 -2.772 -7.198 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.677 -0.513 -5.741 1.00 0.00 H new ATOM 0 HB ILE A 73 1.252 -1.350 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.720 -1.022 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.172 -2.550 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.674 0.670 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.050 1.075 -6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.026 1.155 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.024 -2.007 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.144 -2.029 -3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.587 -0.477 -2.822 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.169 1.038 -7.623 1.00 0.00 N ATOM 1092 CA ASN A 74 -0.995 1.902 -8.785 1.00 0.00 C ATOM 1093 C ASN A 74 -1.544 1.237 -10.044 1.00 0.00 C ATOM 1094 O ASN A 74 -1.358 1.736 -11.153 1.00 0.00 O ATOM 1095 CB ASN A 74 0.484 2.241 -8.977 1.00 0.00 C ATOM 1096 CG ASN A 74 0.756 3.728 -8.865 1.00 0.00 C ATOM 1097 OD1 ASN A 74 0.341 4.512 -9.719 1.00 0.00 O ATOM 1098 ND2 ASN A 74 1.456 4.124 -7.808 1.00 0.00 N ATOM 0 H ASN A 74 -1.804 1.407 -6.915 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.552 2.822 -8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.075 1.709 -8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.811 1.887 -9.955 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.670 5.113 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.780 3.439 -7.125 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.223 0.108 -9.863 1.00 0.00 N ATOM 1106 CA GLY A 75 -2.789 -0.606 -10.992 1.00 0.00 C ATOM 1107 C GLY A 75 -1.849 -1.661 -11.541 1.00 0.00 C ATOM 1108 O GLY A 75 -1.695 -1.795 -12.756 1.00 0.00 O ATOM 0 H GLY A 75 -2.391 -0.324 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.723 -1.079 -10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.034 0.104 -11.782 1.00 0.00 H new ATOM 1112 N THR A 76 -1.215 -2.411 -10.646 1.00 0.00 N ATOM 1113 CA THR A 76 -0.283 -3.457 -11.047 1.00 0.00 C ATOM 1114 C THR A 76 -0.230 -4.574 -10.011 1.00 0.00 C ATOM 1115 O THR A 76 -0.362 -4.345 -8.808 1.00 0.00 O ATOM 1116 CB THR A 76 1.137 -2.896 -11.253 1.00 0.00 C ATOM 1117 OG1 THR A 76 1.173 -1.511 -10.889 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.578 -3.057 -12.700 1.00 0.00 C ATOM 0 H THR A 76 -1.330 -2.313 -9.637 1.00 0.00 H new ATOM 0 HA THR A 76 -0.648 -3.859 -11.992 1.00 0.00 H new ATOM 0 HB THR A 76 1.822 -3.457 -10.617 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.918 -1.413 -9.948 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.583 -2.654 -12.821 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.577 -4.114 -12.965 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.890 -2.519 -13.352 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.032 -5.813 -10.485 1.00 0.00 N ATOM 1127 CA PRO A 77 0.044 -6.990 -9.615 1.00 0.00 C ATOM 1128 C PRO A 77 1.313 -7.005 -8.769 1.00 0.00 C ATOM 1129 O PRO A 77 2.424 -6.950 -9.298 1.00 0.00 O ATOM 1130 CB PRO A 77 0.045 -8.161 -10.601 1.00 0.00 C ATOM 1131 CG PRO A 77 0.593 -7.591 -11.864 1.00 0.00 C ATOM 1132 CD PRO A 77 0.133 -6.160 -11.906 1.00 0.00 C ATOM 0 HA PRO A 77 -0.776 -7.020 -8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.661 -8.984 -10.238 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.960 -8.556 -10.748 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.681 -7.652 -11.880 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.230 -8.143 -12.731 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.865 -5.517 -12.394 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.802 -6.054 -12.457 1.00 0.00 H new ATOM 1140 N VAL A 78 1.141 -7.081 -7.454 1.00 0.00 N ATOM 1141 CA VAL A 78 2.273 -7.105 -6.535 1.00 0.00 C ATOM 1142 C VAL A 78 2.817 -8.520 -6.369 1.00 0.00 C ATOM 1143 O VAL A 78 3.938 -8.714 -5.900 1.00 0.00 O ATOM 1144 CB VAL A 78 1.885 -6.551 -5.151 1.00 0.00 C ATOM 1145 CG1 VAL A 78 1.087 -5.264 -5.296 1.00 0.00 C ATOM 1146 CG2 VAL A 78 1.099 -7.589 -4.363 1.00 0.00 C ATOM 0 H VAL A 78 0.229 -7.127 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 78 3.046 -6.470 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 78 2.798 -6.325 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.822 -4.887 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.688 -4.520 -5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.179 -5.461 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.833 -7.181 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.191 -7.848 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.709 -8.482 -4.228 1.00 0.00 H new ATOM 1156 N ARG A 79 2.015 -9.506 -6.758 1.00 0.00 N ATOM 1157 CA ARG A 79 2.415 -10.903 -6.653 1.00 0.00 C ATOM 1158 C ARG A 79 3.405 -11.270 -7.754 1.00 0.00 C ATOM 1159 O ARG A 79 4.074 -12.302 -7.685 1.00 0.00 O ATOM 1160 CB ARG A 79 1.189 -11.815 -6.730 1.00 0.00 C ATOM 1161 CG ARG A 79 0.261 -11.490 -7.889 1.00 0.00 C ATOM 1162 CD ARG A 79 -0.980 -10.747 -7.419 1.00 0.00 C ATOM 1163 NE ARG A 79 -2.175 -11.583 -7.480 1.00 0.00 N ATOM 1164 CZ ARG A 79 -3.400 -11.134 -7.230 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -3.590 -9.863 -6.905 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -4.438 -11.957 -7.307 1.00 0.00 N ATOM 0 H ARG A 79 1.084 -9.362 -7.149 1.00 0.00 H new ATOM 0 HA ARG A 79 2.903 -11.043 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.521 -12.849 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.631 -11.740 -5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.793 -10.884 -8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.034 -12.412 -8.390 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.830 -10.403 -6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.126 -9.860 -8.035 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.063 -12.566 -7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.795 -9.227 -6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.532 -9.521 -6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.296 -12.935 -7.558 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.378 -11.611 -7.115 1.00 0.00 H new ATOM 1180 N THR A 80 3.494 -10.419 -8.771 1.00 0.00 N ATOM 1181 CA THR A 80 4.400 -10.653 -9.888 1.00 0.00 C ATOM 1182 C THR A 80 5.458 -9.559 -9.977 1.00 0.00 C ATOM 1183 O THR A 80 6.474 -9.718 -10.655 1.00 0.00 O ATOM 1184 CB THR A 80 3.637 -10.724 -11.225 1.00 0.00 C ATOM 1185 OG1 THR A 80 3.372 -9.403 -11.708 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.329 -11.483 -11.061 1.00 0.00 C ATOM 0 H THR A 80 2.949 -9.560 -8.844 1.00 0.00 H new ATOM 0 HA THR A 80 4.887 -11.611 -9.705 1.00 0.00 H new ATOM 0 HB THR A 80 4.258 -11.255 -11.946 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.888 -9.457 -12.559 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.808 -11.520 -12.017 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.537 -12.498 -10.721 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.704 -10.976 -10.326 1.00 0.00 H new ATOM 1194 N LEU A 81 5.214 -8.450 -9.289 1.00 0.00 N ATOM 1195 CA LEU A 81 6.147 -7.328 -9.290 1.00 0.00 C ATOM 1196 C LEU A 81 7.346 -7.617 -8.392 1.00 0.00 C ATOM 1197 O LEU A 81 7.281 -8.472 -7.509 1.00 0.00 O ATOM 1198 CB LEU A 81 5.442 -6.053 -8.825 1.00 0.00 C ATOM 1199 CG LEU A 81 4.745 -5.236 -9.913 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.983 -4.071 -9.301 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.756 -4.736 -10.935 1.00 0.00 C ATOM 0 H LEU A 81 4.378 -8.303 -8.723 1.00 0.00 H new ATOM 0 HA LEU A 81 6.506 -7.186 -10.309 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.702 -6.325 -8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.176 -5.415 -8.334 1.00 0.00 H new ATOM 0 HG LEU A 81 4.031 -5.882 -10.424 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.494 -3.501 -10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.232 -4.451 -8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.677 -3.424 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.242 -4.157 -11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.494 -4.106 -10.438 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.257 -5.587 -11.398 1.00 0.00 H new ATOM 1213 N ARG A 82 8.438 -6.896 -8.623 1.00 0.00 N ATOM 1214 CA ARG A 82 9.652 -7.074 -7.835 1.00 0.00 C ATOM 1215 C ARG A 82 9.408 -6.712 -6.372 1.00 0.00 C ATOM 1216 O ARG A 82 8.270 -6.485 -5.959 1.00 0.00 O ATOM 1217 CB ARG A 82 10.784 -6.215 -8.401 1.00 0.00 C ATOM 1218 CG ARG A 82 10.943 -6.335 -9.908 1.00 0.00 C ATOM 1219 CD ARG A 82 12.227 -7.061 -10.277 1.00 0.00 C ATOM 1220 NE ARG A 82 13.351 -6.141 -10.433 1.00 0.00 N ATOM 1221 CZ ARG A 82 13.404 -5.199 -11.368 1.00 0.00 C ATOM 1222 NH1 ARG A 82 12.403 -5.052 -12.224 1.00 0.00 N ATOM 1223 NH2 ARG A 82 14.461 -4.400 -11.447 1.00 0.00 N ATOM 0 H ARG A 82 8.507 -6.183 -9.349 1.00 0.00 H new ATOM 0 HA ARG A 82 9.940 -8.124 -7.890 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.600 -5.172 -8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.720 -6.500 -7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.089 -6.870 -10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.945 -5.341 -10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.463 -7.794 -9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.078 -7.612 -11.206 1.00 0.00 H new ATOM 0 HE ARG A 82 14.138 -6.227 -9.789 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.589 -5.663 -12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.447 -4.328 -12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.233 -4.509 -10.790 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.501 -3.677 -12.165 1.00 0.00 H new ATOM 1237 N VAL A 83 10.483 -6.661 -5.593 1.00 0.00 N ATOM 1238 CA VAL A 83 10.387 -6.327 -4.177 1.00 0.00 C ATOM 1239 C VAL A 83 10.504 -4.823 -3.959 1.00 0.00 C ATOM 1240 O VAL A 83 9.868 -4.264 -3.066 1.00 0.00 O ATOM 1241 CB VAL A 83 11.477 -7.040 -3.357 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.317 -6.735 -1.875 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.437 -8.540 -3.608 1.00 0.00 C ATOM 0 H VAL A 83 11.432 -6.847 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 83 9.408 -6.666 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 83 12.450 -6.667 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.097 -7.248 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.400 -5.660 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.339 -7.078 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.214 -9.028 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.462 -8.932 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.606 -8.736 -4.667 1.00 0.00 H new ATOM 1253 N GLU A 84 11.321 -4.172 -4.781 1.00 0.00 N ATOM 1254 CA GLU A 84 11.522 -2.732 -4.677 1.00 0.00 C ATOM 1255 C GLU A 84 10.369 -1.973 -5.328 1.00 0.00 C ATOM 1256 O GLU A 84 10.091 -0.827 -4.978 1.00 0.00 O ATOM 1257 CB GLU A 84 12.845 -2.330 -5.331 1.00 0.00 C ATOM 1258 CG GLU A 84 12.890 -2.595 -6.826 1.00 0.00 C ATOM 1259 CD GLU A 84 13.872 -3.690 -7.195 1.00 0.00 C ATOM 1260 OE1 GLU A 84 15.094 -3.454 -7.086 1.00 0.00 O ATOM 1261 OE2 GLU A 84 13.419 -4.784 -7.592 1.00 0.00 O ATOM 0 H GLU A 84 11.854 -4.619 -5.526 1.00 0.00 H new ATOM 0 HA GLU A 84 11.554 -2.472 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.021 -1.269 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.658 -2.873 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.895 -2.873 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.163 -1.677 -7.346 1.00 0.00 H new ATOM 1268 N GLU A 85 9.703 -2.623 -6.278 1.00 0.00 N ATOM 1269 CA GLU A 85 8.581 -2.009 -6.979 1.00 0.00 C ATOM 1270 C GLU A 85 7.367 -1.887 -6.062 1.00 0.00 C ATOM 1271 O GLU A 85 6.651 -0.886 -6.092 1.00 0.00 O ATOM 1272 CB GLU A 85 8.217 -2.828 -8.219 1.00 0.00 C ATOM 1273 CG GLU A 85 8.223 -2.019 -9.506 1.00 0.00 C ATOM 1274 CD GLU A 85 6.924 -1.270 -9.730 1.00 0.00 C ATOM 1275 OE1 GLU A 85 5.849 -1.880 -9.549 1.00 0.00 O ATOM 1276 OE2 GLU A 85 6.981 -0.074 -10.085 1.00 0.00 O ATOM 0 H GLU A 85 9.921 -3.573 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 85 8.883 -1.008 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.920 -3.656 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.228 -3.264 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.048 -1.308 -9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.404 -2.686 -10.349 1.00 0.00 H new ATOM 1283 N VAL A 86 7.142 -2.913 -5.249 1.00 0.00 N ATOM 1284 CA VAL A 86 6.016 -2.922 -4.323 1.00 0.00 C ATOM 1285 C VAL A 86 6.202 -1.885 -3.221 1.00 0.00 C ATOM 1286 O VAL A 86 5.232 -1.409 -2.633 1.00 0.00 O ATOM 1287 CB VAL A 86 5.828 -4.309 -3.680 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.550 -4.348 -2.856 1.00 0.00 C ATOM 1289 CG2 VAL A 86 5.818 -5.393 -4.747 1.00 0.00 C ATOM 0 H VAL A 86 7.725 -3.749 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 86 5.127 -2.676 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 86 6.668 -4.497 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.435 -5.336 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.603 -3.598 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.696 -4.139 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.684 -6.367 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.999 -5.211 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.764 -5.379 -5.289 1.00 0.00 H new ATOM 1299 N GLU A 87 7.456 -1.538 -2.948 1.00 0.00 N ATOM 1300 CA GLU A 87 7.769 -0.556 -1.917 1.00 0.00 C ATOM 1301 C GLU A 87 7.795 0.855 -2.498 1.00 0.00 C ATOM 1302 O GLU A 87 7.235 1.786 -1.921 1.00 0.00 O ATOM 1303 CB GLU A 87 9.118 -0.877 -1.268 1.00 0.00 C ATOM 1304 CG GLU A 87 9.034 -1.938 -0.184 1.00 0.00 C ATOM 1305 CD GLU A 87 8.787 -1.349 1.191 1.00 0.00 C ATOM 1306 OE1 GLU A 87 8.404 -0.163 1.269 1.00 0.00 O ATOM 1307 OE2 GLU A 87 8.977 -2.075 2.190 1.00 0.00 O ATOM 0 H GLU A 87 8.271 -1.922 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 87 6.988 -0.603 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.812 -1.211 -2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.532 0.036 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.232 -2.636 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.961 -2.511 -0.169 1.00 0.00 H new ATOM 1314 N ASP A 88 8.451 1.004 -3.644 1.00 0.00 N ATOM 1315 CA ASP A 88 8.550 2.300 -4.305 1.00 0.00 C ATOM 1316 C ASP A 88 7.172 2.933 -4.470 1.00 0.00 C ATOM 1317 O ASP A 88 6.961 4.089 -4.105 1.00 0.00 O ATOM 1318 CB ASP A 88 9.223 2.150 -5.670 1.00 0.00 C ATOM 1319 CG ASP A 88 9.968 3.402 -6.089 1.00 0.00 C ATOM 1320 OD1 ASP A 88 10.116 4.314 -5.249 1.00 0.00 O ATOM 1321 OD2 ASP A 88 10.405 3.469 -7.257 1.00 0.00 O ATOM 0 H ASP A 88 8.922 0.243 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 88 9.157 2.954 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.918 1.311 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.468 1.912 -6.420 1.00 0.00 H new ATOM 1326 N ALA A 89 6.238 2.167 -5.024 1.00 0.00 N ATOM 1327 CA ALA A 89 4.880 2.653 -5.237 1.00 0.00 C ATOM 1328 C ALA A 89 4.408 3.499 -4.060 1.00 0.00 C ATOM 1329 O ALA A 89 3.677 4.474 -4.237 1.00 0.00 O ATOM 1330 CB ALA A 89 3.931 1.485 -5.464 1.00 0.00 C ATOM 0 H ALA A 89 6.397 1.208 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 89 4.882 3.284 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.921 1.862 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.249 0.923 -6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.942 0.832 -4.591 1.00 0.00 H new ATOM 1336 N ILE A 90 4.831 3.120 -2.858 1.00 0.00 N ATOM 1337 CA ILE A 90 4.451 3.845 -1.652 1.00 0.00 C ATOM 1338 C ILE A 90 5.361 5.048 -1.424 1.00 0.00 C ATOM 1339 O ILE A 90 4.920 6.093 -0.946 1.00 0.00 O ATOM 1340 CB ILE A 90 4.500 2.936 -0.410 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.237 1.482 -0.805 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.488 3.401 0.627 1.00 0.00 C ATOM 1343 CD1 ILE A 90 3.003 1.302 -1.662 1.00 0.00 C ATOM 0 H ILE A 90 5.436 2.316 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 90 3.427 4.189 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 90 5.496 2.999 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.103 1.098 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.132 0.882 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.535 2.749 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.717 4.424 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.486 3.364 0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.879 0.246 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.127 1.655 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.113 1.875 -2.583 1.00 0.00 H new ATOM 1355 N LYS A 91 6.634 4.893 -1.772 1.00 0.00 N ATOM 1356 CA LYS A 91 7.608 5.967 -1.609 1.00 0.00 C ATOM 1357 C LYS A 91 7.277 7.144 -2.521 1.00 0.00 C ATOM 1358 O LYS A 91 7.397 8.302 -2.122 1.00 0.00 O ATOM 1359 CB LYS A 91 9.018 5.454 -1.911 1.00 0.00 C ATOM 1360 CG LYS A 91 9.530 4.448 -0.894 1.00 0.00 C ATOM 1361 CD LYS A 91 10.375 3.371 -1.553 1.00 0.00 C ATOM 1362 CE LYS A 91 11.635 3.084 -0.751 1.00 0.00 C ATOM 1363 NZ LYS A 91 12.812 3.825 -1.282 1.00 0.00 N ATOM 0 H LYS A 91 7.016 4.034 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 91 7.566 6.309 -0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.024 4.994 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.703 6.301 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.121 4.963 -0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.686 3.987 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.789 2.457 -1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.647 3.686 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.473 3.359 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.841 2.014 -0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.650 3.602 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.983 3.544 -2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.626 4.847 -1.241 1.00 0.00 H new ATOM 1377 N GLN A 92 6.860 6.839 -3.746 1.00 0.00 N ATOM 1378 CA GLN A 92 6.512 7.873 -4.713 1.00 0.00 C ATOM 1379 C GLN A 92 5.331 8.703 -4.221 1.00 0.00 C ATOM 1380 O GLN A 92 4.221 8.193 -4.064 1.00 0.00 O ATOM 1381 CB GLN A 92 6.179 7.243 -6.067 1.00 0.00 C ATOM 1382 CG GLN A 92 5.178 6.102 -5.977 1.00 0.00 C ATOM 1383 CD GLN A 92 4.720 5.619 -7.339 1.00 0.00 C ATOM 1384 OE1 GLN A 92 3.633 5.968 -7.801 1.00 0.00 O ATOM 1385 NE2 GLN A 92 5.549 4.812 -7.991 1.00 0.00 N ATOM 0 H GLN A 92 6.755 5.885 -4.092 1.00 0.00 H new ATOM 0 HA GLN A 92 7.373 8.532 -4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.782 8.013 -6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.098 6.874 -6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.628 5.271 -5.433 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.312 6.428 -5.401 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.440 4.548 -7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.295 4.456 -8.912 1.00 0.00 H new ATOM 1394 N THR A 93 5.577 9.987 -3.978 1.00 0.00 N ATOM 1395 CA THR A 93 4.535 10.888 -3.502 1.00 0.00 C ATOM 1396 C THR A 93 4.466 12.149 -4.356 1.00 0.00 C ATOM 1397 O THR A 93 4.718 13.252 -3.872 1.00 0.00 O ATOM 1398 CB THR A 93 4.767 11.289 -2.033 1.00 0.00 C ATOM 1399 OG1 THR A 93 6.064 11.878 -1.884 1.00 0.00 O ATOM 1400 CG2 THR A 93 4.645 10.080 -1.117 1.00 0.00 C ATOM 0 H THR A 93 6.489 10.426 -4.103 1.00 0.00 H new ATOM 0 HA THR A 93 3.591 10.348 -3.579 1.00 0.00 H new ATOM 0 HB THR A 93 4.005 12.016 -1.753 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.144 12.648 -2.484 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.813 10.387 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.647 9.652 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.388 9.334 -1.399 1.00 0.00 H new ATOM 1408 N SER A 94 4.123 11.978 -5.629 1.00 0.00 N ATOM 1409 CA SER A 94 4.024 13.103 -6.551 1.00 0.00 C ATOM 1410 C SER A 94 2.682 13.095 -7.276 1.00 0.00 C ATOM 1411 O SER A 94 2.122 14.148 -7.580 1.00 0.00 O ATOM 1412 CB SER A 94 5.166 13.058 -7.568 1.00 0.00 C ATOM 1413 OG SER A 94 5.737 11.763 -7.637 1.00 0.00 O ATOM 0 H SER A 94 3.909 11.072 -6.045 1.00 0.00 H new ATOM 0 HA SER A 94 4.099 14.023 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.794 13.347 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.932 13.782 -7.291 1.00 0.00 H new ATOM 0 HG SER A 94 5.222 11.211 -8.262 1.00 0.00 H new ATOM 1419 N GLN A 95 2.172 11.898 -7.551 1.00 0.00 N ATOM 1420 CA GLN A 95 0.896 11.752 -8.241 1.00 0.00 C ATOM 1421 C GLN A 95 -0.086 10.940 -7.403 1.00 0.00 C ATOM 1422 O GLN A 95 0.214 10.558 -6.272 1.00 0.00 O ATOM 1423 CB GLN A 95 1.101 11.082 -9.601 1.00 0.00 C ATOM 1424 CG GLN A 95 2.473 11.337 -10.204 1.00 0.00 C ATOM 1425 CD GLN A 95 3.464 10.234 -9.888 1.00 0.00 C ATOM 1426 OE1 GLN A 95 4.003 10.165 -8.782 1.00 0.00 O ATOM 1427 NE2 GLN A 95 3.710 9.362 -10.859 1.00 0.00 N ATOM 0 H GLN A 95 2.623 11.016 -7.307 1.00 0.00 H new ATOM 0 HA GLN A 95 0.478 12.747 -8.394 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.955 10.007 -9.493 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.337 11.440 -10.292 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.378 11.436 -11.285 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.859 12.285 -9.830 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.241 9.456 -11.760 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.368 8.598 -10.704 1.00 0.00 H new ATOM 1436 N THR A 96 -1.262 10.679 -7.966 1.00 0.00 N ATOM 1437 CA THR A 96 -2.288 9.913 -7.271 1.00 0.00 C ATOM 1438 C THR A 96 -1.819 8.490 -6.993 1.00 0.00 C ATOM 1439 O THR A 96 -1.214 7.846 -7.850 1.00 0.00 O ATOM 1440 CB THR A 96 -3.596 9.861 -8.083 1.00 0.00 C ATOM 1441 OG1 THR A 96 -3.363 10.322 -9.418 1.00 0.00 O ATOM 1442 CG2 THR A 96 -4.674 10.711 -7.428 1.00 0.00 C ATOM 0 H THR A 96 -1.527 10.987 -8.902 1.00 0.00 H new ATOM 0 HA THR A 96 -2.475 10.421 -6.325 1.00 0.00 H new ATOM 0 HB THR A 96 -3.939 8.827 -8.111 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.199 10.284 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.588 10.659 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.870 10.338 -6.423 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.337 11.746 -7.372 1.00 0.00 H new ATOM 1450 N LEU A 97 -2.102 8.003 -5.789 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.710 6.654 -5.398 1.00 0.00 C ATOM 1452 C LEU A 97 -2.934 5.768 -5.193 1.00 0.00 C ATOM 1453 O LEU A 97 -3.648 5.901 -4.199 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.876 6.696 -4.116 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.851 5.410 -3.289 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.681 4.198 -4.192 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.260 5.465 -2.251 1.00 0.00 C ATOM 0 H LEU A 97 -2.601 8.523 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.109 6.230 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.149 6.953 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.254 7.502 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.804 5.317 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.665 3.292 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.512 4.149 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.256 4.283 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.263 4.542 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.221 5.582 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.093 6.311 -1.584 1.00 0.00 H new ATOM 1469 N GLN A 98 -3.170 4.864 -6.139 1.00 0.00 N ATOM 1470 CA GLN A 98 -4.308 3.956 -6.060 1.00 0.00 C ATOM 1471 C GLN A 98 -3.924 2.663 -5.348 1.00 0.00 C ATOM 1472 O GLN A 98 -2.814 2.155 -5.516 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.835 3.643 -7.462 1.00 0.00 C ATOM 1474 CG GLN A 98 -6.352 3.590 -7.543 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.845 2.692 -8.660 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -6.399 1.552 -8.799 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -7.771 3.201 -9.464 1.00 0.00 N ATOM 0 H GLN A 98 -2.589 4.741 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 98 -5.093 4.446 -5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.468 4.399 -8.156 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.428 2.686 -7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.751 3.234 -6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.740 4.598 -7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.112 4.150 -9.312 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -8.141 2.643 -10.233 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.848 2.135 -4.553 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.607 0.900 -3.815 1.00 0.00 C ATOM 1488 C LEU A 99 -5.817 -0.025 -3.891 1.00 0.00 C ATOM 1489 O LEU A 99 -6.958 0.432 -3.967 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.280 1.212 -2.353 1.00 0.00 C ATOM 1491 CG LEU A 99 -2.927 1.876 -2.095 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -3.007 2.800 -0.890 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.846 0.824 -1.892 1.00 0.00 C ATOM 0 H LEU A 99 -5.771 2.543 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.757 0.393 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.062 1.860 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.320 0.282 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.665 2.473 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.035 3.264 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.751 3.575 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.292 2.225 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.890 1.315 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.102 0.199 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.770 0.203 -2.785 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.561 -1.329 -3.867 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.629 -2.320 -3.931 1.00 0.00 C ATOM 1507 C LEU A 100 -6.629 -3.202 -2.687 1.00 0.00 C ATOM 1508 O LEU A 100 -5.669 -3.928 -2.429 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.475 -3.185 -5.183 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.417 -4.385 -5.290 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -8.860 -3.952 -5.082 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.254 -5.072 -6.638 1.00 0.00 C ATOM 0 H LEU A 100 -4.623 -1.724 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.580 -1.790 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.624 -2.552 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.449 -3.549 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.157 -5.097 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.515 -4.819 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.967 -3.506 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.133 -3.220 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.932 -5.924 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.487 -4.367 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.226 -5.418 -6.748 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.712 -3.134 -1.920 1.00 0.00 N ATOM 1525 CA ILE A 101 -7.838 -3.929 -0.705 1.00 0.00 C ATOM 1526 C ILE A 101 -8.727 -5.147 -0.934 1.00 0.00 C ATOM 1527 O ILE A 101 -9.665 -5.101 -1.730 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.416 -3.097 0.455 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -7.862 -1.671 0.413 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -8.097 -3.755 1.789 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -6.352 -1.607 0.470 1.00 0.00 C ATOM 0 H ILE A 101 -8.515 -2.537 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.834 -4.260 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.499 -3.050 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.204 -1.184 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.273 -1.105 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.512 -3.155 2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.534 -4.753 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.016 -3.829 1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.030 -0.566 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.003 -2.065 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.933 -2.144 -0.381 1.00 0.00 H new ATOM 1543 N GLU A 102 -8.427 -6.233 -0.230 1.00 0.00 N ATOM 1544 CA GLU A 102 -9.200 -7.463 -0.356 1.00 0.00 C ATOM 1545 C GLU A 102 -10.171 -7.617 0.811 1.00 0.00 C ATOM 1546 O GLU A 102 -9.789 -7.481 1.973 1.00 0.00 O ATOM 1547 CB GLU A 102 -8.267 -8.674 -0.422 1.00 0.00 C ATOM 1548 CG GLU A 102 -8.979 -10.002 -0.223 1.00 0.00 C ATOM 1549 CD GLU A 102 -8.099 -11.191 -0.556 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -7.920 -11.480 -1.758 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -7.588 -11.832 0.386 1.00 0.00 O ATOM 0 H GLU A 102 -7.654 -6.287 0.434 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.776 -7.407 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.764 -8.682 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.494 -8.568 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.312 -10.080 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.871 -10.029 -0.848 1.00 0.00 H new ATOM 1558 N HIS A 103 -11.430 -7.902 0.492 1.00 0.00 N ATOM 1559 CA HIS A 103 -12.457 -8.076 1.513 1.00 0.00 C ATOM 1560 C HIS A 103 -13.034 -9.487 1.470 1.00 0.00 C ATOM 1561 O HIS A 103 -13.433 -9.973 0.411 1.00 0.00 O ATOM 1562 CB HIS A 103 -13.574 -7.050 1.322 1.00 0.00 C ATOM 1563 CG HIS A 103 -14.004 -6.388 2.595 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -13.126 -5.752 3.447 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -15.229 -6.266 3.160 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -13.791 -5.268 4.481 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -15.069 -5.565 4.330 1.00 0.00 N ATOM 0 H HIS A 103 -11.763 -8.017 -0.465 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.994 -7.922 2.488 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -13.238 -6.286 0.620 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -14.435 -7.542 0.870 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -16.158 -6.649 2.764 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.362 -4.722 5.309 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -15.816 -5.314 4.978 1.00 0.00 H new