USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 499 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 31 GLN : amide:sc= 0.815 K(o=2.8,f=-0.99!) USER MOD Set 1.2: A 66 TYR OH : rot -12:sc= 1.31 USER MOD Set 1.3: A 70 SER OG : rot 98:sc= 0.687 USER MOD Single : A 20 TYR OH : rot -142:sc= 0.00757 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 150:sc= -0.11 (180deg=-1.25!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= -1.9! (180deg=-4.57!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-8.5!) USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00718) USER MOD Single : A 50 ASN : amide:sc= -3.92! C(o=-3.9!,f=-2.6!) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0104) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.41 K(o=-0.41,f=-8.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 110:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.597 2.295 4.147 1.00 0.00 N ATOM 192 CA ASP A 16 0.817 2.430 3.816 1.00 0.00 C ATOM 193 C ASP A 16 1.094 1.929 2.402 1.00 0.00 C ATOM 194 O ASP A 16 1.450 2.706 1.516 1.00 0.00 O ATOM 195 CB ASP A 16 1.674 1.659 4.821 1.00 0.00 C ATOM 196 CG ASP A 16 1.415 2.088 6.252 1.00 0.00 C ATOM 197 OD1 ASP A 16 1.746 3.243 6.594 1.00 0.00 O ATOM 198 OD2 ASP A 16 0.883 1.269 7.030 1.00 0.00 O ATOM 0 HA ASP A 16 1.077 3.487 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.473 0.592 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.728 1.808 4.585 1.00 0.00 H new ATOM 203 N PHE A 17 0.929 0.626 2.199 1.00 0.00 N ATOM 204 CA PHE A 17 1.164 0.020 0.893 1.00 0.00 C ATOM 205 C PHE A 17 -0.013 -0.860 0.483 1.00 0.00 C ATOM 206 O PHE A 17 -0.832 -1.248 1.316 1.00 0.00 O ATOM 207 CB PHE A 17 2.451 -0.806 0.915 1.00 0.00 C ATOM 208 CG PHE A 17 2.352 -2.047 1.755 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.551 -3.107 1.359 1.00 0.00 C ATOM 210 CD2 PHE A 17 3.060 -2.155 2.941 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.458 -4.249 2.131 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.971 -3.295 3.717 1.00 0.00 C ATOM 213 CZ PHE A 17 2.170 -4.344 3.311 1.00 0.00 C ATOM 0 H PHE A 17 0.634 -0.030 2.922 1.00 0.00 H new ATOM 0 HA PHE A 17 1.268 0.821 0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.710 -1.087 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.265 -0.186 1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.993 -3.039 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.689 -1.338 3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.829 -5.067 1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.527 -3.365 4.640 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.100 -5.237 3.915 1.00 0.00 H new ATOM 223 N ASP A 18 -0.090 -1.171 -0.807 1.00 0.00 N ATOM 224 CA ASP A 18 -1.165 -2.006 -1.329 1.00 0.00 C ATOM 225 C ASP A 18 -0.662 -3.414 -1.633 1.00 0.00 C ATOM 226 O ASP A 18 0.451 -3.609 -2.121 1.00 0.00 O ATOM 227 CB ASP A 18 -1.759 -1.379 -2.592 1.00 0.00 C ATOM 228 CG ASP A 18 -3.227 -1.711 -2.768 1.00 0.00 C ATOM 229 OD1 ASP A 18 -4.054 -1.162 -2.009 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.551 -2.520 -3.663 1.00 0.00 O ATOM 0 H ASP A 18 0.579 -0.857 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.941 -2.074 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.637 -0.297 -2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.204 -1.728 -3.463 1.00 0.00 H new ATOM 235 N PRO A 19 -1.499 -4.419 -1.336 1.00 0.00 N ATOM 236 CA PRO A 19 -1.161 -5.826 -1.568 1.00 0.00 C ATOM 237 C PRO A 19 -1.113 -6.173 -3.052 1.00 0.00 C ATOM 238 O PRO A 19 -0.279 -6.968 -3.487 1.00 0.00 O ATOM 239 CB PRO A 19 -2.298 -6.583 -0.878 1.00 0.00 C ATOM 240 CG PRO A 19 -3.443 -5.630 -0.881 1.00 0.00 C ATOM 241 CD PRO A 19 -2.841 -4.259 -0.752 1.00 0.00 C ATOM 0 HA PRO A 19 -0.171 -6.076 -1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.545 -7.500 -1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.024 -6.870 0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.021 -5.717 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.124 -5.836 -0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.426 -3.511 -1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.791 -3.939 0.289 1.00 0.00 H new ATOM 249 N TYR A 20 -2.012 -5.574 -3.825 1.00 0.00 N ATOM 250 CA TYR A 20 -2.073 -5.821 -5.260 1.00 0.00 C ATOM 251 C TYR A 20 -0.877 -5.198 -5.972 1.00 0.00 C ATOM 252 O TYR A 20 -0.312 -5.788 -6.893 1.00 0.00 O ATOM 253 CB TYR A 20 -3.374 -5.263 -5.840 1.00 0.00 C ATOM 254 CG TYR A 20 -4.514 -6.255 -5.836 1.00 0.00 C ATOM 255 CD1 TYR A 20 -4.926 -6.865 -4.657 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.179 -6.585 -7.011 1.00 0.00 C ATOM 257 CE1 TYR A 20 -5.967 -7.773 -4.648 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.222 -7.491 -7.011 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.612 -8.082 -5.828 1.00 0.00 C ATOM 260 OH TYR A 20 -7.650 -8.986 -5.824 1.00 0.00 O ATOM 0 H TYR A 20 -2.709 -4.913 -3.481 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.045 -6.899 -5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.668 -4.382 -5.269 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.194 -4.934 -6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.423 -6.625 -3.732 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.875 -6.125 -7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.274 -8.238 -3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.729 -7.735 -7.933 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.602 -9.543 -6.629 1.00 0.00 H new ATOM 270 N ARG A 21 -0.495 -4.001 -5.538 1.00 0.00 N ATOM 271 CA ARG A 21 0.634 -3.296 -6.133 1.00 0.00 C ATOM 272 C ARG A 21 1.941 -4.035 -5.860 1.00 0.00 C ATOM 273 O ARG A 21 2.739 -4.263 -6.769 1.00 0.00 O ATOM 274 CB ARG A 21 0.717 -1.870 -5.586 1.00 0.00 C ATOM 275 CG ARG A 21 -0.255 -0.907 -6.247 1.00 0.00 C ATOM 276 CD ARG A 21 0.084 -0.691 -7.714 1.00 0.00 C ATOM 277 NE ARG A 21 -0.755 0.336 -8.324 1.00 0.00 N ATOM 278 CZ ARG A 21 -1.002 0.404 -9.628 1.00 0.00 C ATOM 279 NH1 ARG A 21 -0.478 -0.491 -10.453 1.00 0.00 N ATOM 280 NH2 ARG A 21 -1.776 1.369 -10.108 1.00 0.00 N ATOM 0 H ARG A 21 -0.951 -3.499 -4.776 1.00 0.00 H new ATOM 0 HA ARG A 21 0.478 -3.255 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.523 -1.889 -4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.732 -1.497 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.270 -1.296 -6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.234 0.049 -5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.132 -0.405 -7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.039 -1.629 -8.256 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.174 1.040 -7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.117 -1.235 -10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.669 -0.436 -11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.182 2.059 -9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.965 1.421 -11.109 1.00 0.00 H new ATOM 294 N VAL A 22 2.153 -4.406 -4.601 1.00 0.00 N ATOM 295 CA VAL A 22 3.362 -5.119 -4.208 1.00 0.00 C ATOM 296 C VAL A 22 3.492 -6.438 -4.962 1.00 0.00 C ATOM 297 O VAL A 22 4.503 -6.694 -5.617 1.00 0.00 O ATOM 298 CB VAL A 22 3.380 -5.402 -2.694 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.540 -6.319 -2.335 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.457 -4.100 -1.910 1.00 0.00 C ATOM 0 H VAL A 22 1.503 -4.224 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 22 4.205 -4.475 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 22 2.452 -5.908 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.536 -6.507 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.436 -7.263 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.480 -5.844 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.469 -4.318 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.367 -3.565 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.590 -3.482 -2.144 1.00 0.00 H new ATOM 310 N LEU A 23 2.463 -7.272 -4.865 1.00 0.00 N ATOM 311 CA LEU A 23 2.461 -8.566 -5.538 1.00 0.00 C ATOM 312 C LEU A 23 2.589 -8.394 -7.049 1.00 0.00 C ATOM 313 O LEU A 23 3.312 -9.138 -7.710 1.00 0.00 O ATOM 314 CB LEU A 23 1.180 -9.334 -5.207 1.00 0.00 C ATOM 315 CG LEU A 23 1.121 -9.973 -3.819 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.219 -10.661 -3.605 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.264 -10.961 -3.638 1.00 0.00 C ATOM 0 H LEU A 23 1.619 -7.075 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 23 3.320 -9.135 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.335 -8.653 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.047 -10.118 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 23 1.226 -9.186 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.243 -11.110 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.022 -9.929 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.354 -11.438 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.206 -11.406 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.190 -11.745 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.215 -10.441 -3.748 1.00 0.00 H new ATOM 329 N GLY A 24 1.881 -7.406 -7.588 1.00 0.00 N ATOM 330 CA GLY A 24 1.930 -7.153 -9.017 1.00 0.00 C ATOM 331 C GLY A 24 0.761 -7.772 -9.756 1.00 0.00 C ATOM 332 O GLY A 24 0.942 -8.430 -10.781 1.00 0.00 O ATOM 0 H GLY A 24 1.275 -6.777 -7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.938 -6.077 -9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.862 -7.549 -9.421 1.00 0.00 H new ATOM 336 N VAL A 25 -0.444 -7.564 -9.235 1.00 0.00 N ATOM 337 CA VAL A 25 -1.649 -8.107 -9.852 1.00 0.00 C ATOM 338 C VAL A 25 -2.761 -7.066 -9.895 1.00 0.00 C ATOM 339 O VAL A 25 -2.807 -6.157 -9.067 1.00 0.00 O ATOM 340 CB VAL A 25 -2.154 -9.351 -9.097 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.297 -10.563 -9.431 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.168 -9.095 -7.598 1.00 0.00 C ATOM 0 H VAL A 25 -0.612 -7.023 -8.387 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.383 -8.392 -10.870 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.175 -9.559 -9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.669 -11.432 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.343 -10.757 -10.503 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.264 -10.369 -9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.527 -9.984 -7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.159 -8.861 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.828 -8.256 -7.378 1.00 0.00 H new ATOM 352 N SER A 26 -3.658 -7.206 -10.866 1.00 0.00 N ATOM 353 CA SER A 26 -4.770 -6.275 -11.020 1.00 0.00 C ATOM 354 C SER A 26 -6.077 -6.910 -10.556 1.00 0.00 C ATOM 355 O SER A 26 -6.119 -8.092 -10.214 1.00 0.00 O ATOM 356 CB SER A 26 -4.894 -5.833 -12.480 1.00 0.00 C ATOM 357 OG SER A 26 -4.120 -4.672 -12.728 1.00 0.00 O ATOM 0 H SER A 26 -3.636 -7.955 -11.558 1.00 0.00 H new ATOM 0 HA SER A 26 -4.570 -5.402 -10.399 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.567 -6.639 -13.137 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.939 -5.634 -12.716 1.00 0.00 H new ATOM 0 HG SER A 26 -4.214 -4.410 -13.668 1.00 0.00 H new ATOM 363 N ARG A 27 -7.143 -6.116 -10.548 1.00 0.00 N ATOM 364 CA ARG A 27 -8.452 -6.598 -10.125 1.00 0.00 C ATOM 365 C ARG A 27 -8.747 -7.969 -10.727 1.00 0.00 C ATOM 366 O ARG A 27 -9.073 -8.917 -10.012 1.00 0.00 O ATOM 367 CB ARG A 27 -9.542 -5.605 -10.534 1.00 0.00 C ATOM 368 CG ARG A 27 -9.524 -5.256 -12.013 1.00 0.00 C ATOM 369 CD ARG A 27 -10.126 -3.883 -12.268 1.00 0.00 C ATOM 370 NE ARG A 27 -10.180 -3.565 -13.693 1.00 0.00 N ATOM 371 CZ ARG A 27 -10.379 -2.340 -14.165 1.00 0.00 C ATOM 372 NH1 ARG A 27 -10.543 -1.322 -13.331 1.00 0.00 N ATOM 373 NH2 ARG A 27 -10.415 -2.131 -15.475 1.00 0.00 N ATOM 0 H ARG A 27 -7.125 -5.136 -10.830 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.443 -6.691 -9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.516 -6.023 -10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.426 -4.691 -9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.498 -5.279 -12.381 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.080 -6.008 -12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.132 -3.845 -11.850 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.536 -3.127 -11.750 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.058 -4.326 -14.362 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.516 -1.479 -12.323 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.696 -0.382 -13.697 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.290 -2.912 -16.120 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.568 -1.190 -15.837 1.00 0.00 H new ATOM 387 N THR A 28 -8.631 -8.067 -12.048 1.00 0.00 N ATOM 388 CA THR A 28 -8.886 -9.320 -12.747 1.00 0.00 C ATOM 389 C THR A 28 -8.260 -10.498 -12.010 1.00 0.00 C ATOM 390 O THR A 28 -8.819 -11.594 -11.984 1.00 0.00 O ATOM 391 CB THR A 28 -8.340 -9.281 -14.187 1.00 0.00 C ATOM 392 OG1 THR A 28 -8.923 -8.187 -14.903 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.637 -10.585 -14.913 1.00 0.00 C ATOM 0 H THR A 28 -8.362 -7.293 -12.655 1.00 0.00 H new ATOM 0 HA THR A 28 -9.968 -9.449 -12.780 1.00 0.00 H new ATOM 0 HB THR A 28 -7.259 -9.148 -14.139 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.569 -8.168 -15.817 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.242 -10.535 -15.928 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.167 -11.413 -14.382 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.715 -10.743 -14.950 1.00 0.00 H new ATOM 401 N ALA A 29 -7.097 -10.265 -11.411 1.00 0.00 N ATOM 402 CA ALA A 29 -6.396 -11.307 -10.670 1.00 0.00 C ATOM 403 C ALA A 29 -7.172 -11.708 -9.420 1.00 0.00 C ATOM 404 O ALA A 29 -7.468 -10.871 -8.568 1.00 0.00 O ATOM 405 CB ALA A 29 -4.996 -10.840 -10.299 1.00 0.00 C ATOM 0 H ALA A 29 -6.620 -9.364 -11.424 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.315 -12.184 -11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.484 -11.628 -9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.437 -10.611 -11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.063 -9.946 -9.679 1.00 0.00 H new ATOM 411 N SER A 30 -7.497 -12.992 -9.318 1.00 0.00 N ATOM 412 CA SER A 30 -8.243 -13.503 -8.173 1.00 0.00 C ATOM 413 C SER A 30 -7.314 -14.216 -7.195 1.00 0.00 C ATOM 414 O SER A 30 -6.117 -14.348 -7.444 1.00 0.00 O ATOM 415 CB SER A 30 -9.343 -14.459 -8.639 1.00 0.00 C ATOM 416 OG SER A 30 -10.190 -13.837 -9.589 1.00 0.00 O ATOM 0 H SER A 30 -7.256 -13.698 -10.014 1.00 0.00 H new ATOM 0 HA SER A 30 -8.701 -12.656 -7.661 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.893 -15.350 -9.077 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.931 -14.787 -7.782 1.00 0.00 H new ATOM 0 HG SER A 30 -10.883 -14.469 -9.872 1.00 0.00 H new ATOM 422 N GLN A 31 -7.877 -14.674 -6.081 1.00 0.00 N ATOM 423 CA GLN A 31 -7.100 -15.373 -5.065 1.00 0.00 C ATOM 424 C GLN A 31 -6.136 -16.366 -5.704 1.00 0.00 C ATOM 425 O GLN A 31 -4.980 -16.476 -5.295 1.00 0.00 O ATOM 426 CB GLN A 31 -8.031 -16.101 -4.093 1.00 0.00 C ATOM 427 CG GLN A 31 -7.302 -16.766 -2.936 1.00 0.00 C ATOM 428 CD GLN A 31 -6.250 -15.869 -2.315 1.00 0.00 C ATOM 429 OE1 GLN A 31 -5.066 -16.207 -2.288 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.677 -14.716 -1.812 1.00 0.00 N ATOM 0 H GLN A 31 -8.868 -14.573 -5.860 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.518 -14.633 -4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.755 -15.390 -3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.594 -16.857 -4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.025 -17.053 -2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.830 -17.683 -3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.667 -14.476 -1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.014 -14.071 -1.382 1.00 0.00 H new ATOM 439 N ALA A 32 -6.619 -17.089 -6.710 1.00 0.00 N ATOM 440 CA ALA A 32 -5.799 -18.072 -7.407 1.00 0.00 C ATOM 441 C ALA A 32 -4.538 -17.430 -7.977 1.00 0.00 C ATOM 442 O ALA A 32 -3.423 -17.787 -7.597 1.00 0.00 O ATOM 443 CB ALA A 32 -6.601 -18.738 -8.515 1.00 0.00 C ATOM 0 H ALA A 32 -7.574 -17.012 -7.060 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.495 -18.831 -6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.976 -19.470 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.469 -19.239 -8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.934 -17.983 -9.227 1.00 0.00 H new ATOM 449 N ASP A 33 -4.723 -16.483 -8.889 1.00 0.00 N ATOM 450 CA ASP A 33 -3.600 -15.791 -9.511 1.00 0.00 C ATOM 451 C ASP A 33 -2.678 -15.190 -8.454 1.00 0.00 C ATOM 452 O ASP A 33 -1.456 -15.311 -8.542 1.00 0.00 O ATOM 453 CB ASP A 33 -4.105 -14.692 -10.448 1.00 0.00 C ATOM 454 CG ASP A 33 -3.033 -14.207 -11.403 1.00 0.00 C ATOM 455 OD1 ASP A 33 -1.862 -14.112 -10.981 1.00 0.00 O ATOM 456 OD2 ASP A 33 -3.365 -13.922 -12.573 1.00 0.00 O ATOM 0 H ASP A 33 -5.640 -16.177 -9.214 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.033 -16.520 -10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.954 -15.068 -11.020 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.467 -13.852 -9.856 1.00 0.00 H new ATOM 461 N ILE A 34 -3.272 -14.543 -7.457 1.00 0.00 N ATOM 462 CA ILE A 34 -2.505 -13.924 -6.384 1.00 0.00 C ATOM 463 C ILE A 34 -1.565 -14.931 -5.729 1.00 0.00 C ATOM 464 O ILE A 34 -0.378 -14.660 -5.543 1.00 0.00 O ATOM 465 CB ILE A 34 -3.427 -13.323 -5.306 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.386 -12.310 -5.933 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.601 -12.670 -4.208 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.640 -12.081 -5.118 1.00 0.00 C ATOM 0 H ILE A 34 -4.282 -14.434 -7.370 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.919 -13.124 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.016 -14.126 -4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.866 -11.360 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.667 -12.655 -6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.266 -12.250 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.954 -13.416 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.990 -11.875 -4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.274 -11.351 -5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.182 -13.021 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.369 -11.706 -4.131 1.00 0.00 H new ATOM 480 N LYS A 35 -2.103 -16.096 -5.383 1.00 0.00 N ATOM 481 CA LYS A 35 -1.313 -17.146 -4.751 1.00 0.00 C ATOM 482 C LYS A 35 -0.048 -17.433 -5.554 1.00 0.00 C ATOM 483 O LYS A 35 1.066 -17.250 -5.063 1.00 0.00 O ATOM 484 CB LYS A 35 -2.144 -18.424 -4.614 1.00 0.00 C ATOM 485 CG LYS A 35 -1.403 -19.561 -3.931 1.00 0.00 C ATOM 486 CD LYS A 35 -2.243 -20.826 -3.884 1.00 0.00 C ATOM 487 CE LYS A 35 -3.086 -20.889 -2.620 1.00 0.00 C ATOM 488 NZ LYS A 35 -4.321 -20.065 -2.735 1.00 0.00 N ATOM 0 H LYS A 35 -3.083 -16.337 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.022 -16.801 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.049 -18.200 -4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.459 -18.750 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.472 -19.761 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.134 -19.264 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.893 -20.865 -4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.591 -21.699 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.358 -21.925 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.496 -20.542 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.075 -20.486 -2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.126 -19.099 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.626 -20.033 -3.729 1.00 0.00 H new ATOM 502 N LYS A 36 -0.228 -17.882 -6.792 1.00 0.00 N ATOM 503 CA LYS A 36 0.898 -18.192 -7.665 1.00 0.00 C ATOM 504 C LYS A 36 1.811 -16.980 -7.826 1.00 0.00 C ATOM 505 O LYS A 36 3.034 -17.101 -7.770 1.00 0.00 O ATOM 506 CB LYS A 36 0.396 -18.652 -9.035 1.00 0.00 C ATOM 507 CG LYS A 36 -0.473 -19.896 -8.978 1.00 0.00 C ATOM 508 CD LYS A 36 -0.845 -20.381 -10.369 1.00 0.00 C ATOM 509 CE LYS A 36 -1.517 -21.745 -10.323 1.00 0.00 C ATOM 510 NZ LYS A 36 -2.455 -21.939 -11.464 1.00 0.00 N ATOM 0 H LYS A 36 -1.144 -18.039 -7.213 1.00 0.00 H new ATOM 0 HA LYS A 36 1.471 -18.998 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.172 -17.843 -9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.253 -18.847 -9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.056 -20.686 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.380 -19.682 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.514 -19.661 -10.840 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.051 -20.436 -10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.756 -22.526 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.060 -21.851 -9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.893 -22.880 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.196 -21.209 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.932 -21.863 -12.360 1.00 0.00 H new ATOM 524 N ALA A 37 1.207 -15.813 -8.025 1.00 0.00 N ATOM 525 CA ALA A 37 1.966 -14.580 -8.191 1.00 0.00 C ATOM 526 C ALA A 37 2.843 -14.307 -6.974 1.00 0.00 C ATOM 527 O ALA A 37 3.985 -13.864 -7.107 1.00 0.00 O ATOM 528 CB ALA A 37 1.024 -13.410 -8.438 1.00 0.00 C ATOM 0 H ALA A 37 0.195 -15.696 -8.075 1.00 0.00 H new ATOM 0 HA ALA A 37 2.618 -14.697 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.604 -12.495 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.443 -13.595 -9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.349 -13.301 -7.589 1.00 0.00 H new ATOM 534 N TYR A 38 2.304 -14.574 -5.790 1.00 0.00 N ATOM 535 CA TYR A 38 3.037 -14.354 -4.549 1.00 0.00 C ATOM 536 C TYR A 38 4.348 -15.135 -4.545 1.00 0.00 C ATOM 537 O TYR A 38 5.428 -14.559 -4.410 1.00 0.00 O ATOM 538 CB TYR A 38 2.183 -14.763 -3.348 1.00 0.00 C ATOM 539 CG TYR A 38 2.992 -15.263 -2.172 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.701 -14.380 -1.366 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.047 -16.617 -1.867 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.441 -14.833 -0.291 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.783 -17.078 -0.793 1.00 0.00 C ATOM 544 CZ TYR A 38 4.479 -16.182 -0.009 1.00 0.00 C ATOM 545 OH TYR A 38 5.215 -16.636 1.062 1.00 0.00 O ATOM 0 H TYR A 38 1.362 -14.943 -5.663 1.00 0.00 H new ATOM 0 HA TYR A 38 3.268 -13.291 -4.477 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.585 -13.909 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.486 -15.542 -3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.673 -13.323 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.505 -17.322 -2.480 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.987 -14.134 0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.813 -18.134 -0.568 1.00 0.00 H new ATOM 0 HH TYR A 38 5.136 -17.611 1.124 1.00 0.00 H new ATOM 555 N LYS A 39 4.245 -16.451 -4.695 1.00 0.00 N ATOM 556 CA LYS A 39 5.420 -17.314 -4.711 1.00 0.00 C ATOM 557 C LYS A 39 6.478 -16.775 -5.669 1.00 0.00 C ATOM 558 O LYS A 39 7.661 -16.716 -5.334 1.00 0.00 O ATOM 559 CB LYS A 39 5.028 -18.737 -5.116 1.00 0.00 C ATOM 560 CG LYS A 39 4.656 -19.624 -3.940 1.00 0.00 C ATOM 561 CD LYS A 39 3.164 -19.579 -3.658 1.00 0.00 C ATOM 562 CE LYS A 39 2.421 -20.673 -4.409 1.00 0.00 C ATOM 563 NZ LYS A 39 1.207 -21.124 -3.675 1.00 0.00 N ATOM 0 H LYS A 39 3.359 -16.944 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 39 5.840 -17.332 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.185 -18.690 -5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.857 -19.193 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.957 -20.651 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.205 -19.304 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.992 -19.690 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.768 -18.605 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.134 -20.306 -5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.087 -21.522 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.459 -21.364 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.438 -21.962 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.875 -20.361 -3.051 1.00 0.00 H new ATOM 577 N LYS A 40 6.044 -16.381 -6.861 1.00 0.00 N ATOM 578 CA LYS A 40 6.953 -15.844 -7.867 1.00 0.00 C ATOM 579 C LYS A 40 7.887 -14.804 -7.256 1.00 0.00 C ATOM 580 O LYS A 40 9.109 -14.956 -7.292 1.00 0.00 O ATOM 581 CB LYS A 40 6.161 -15.219 -9.018 1.00 0.00 C ATOM 582 CG LYS A 40 5.350 -16.226 -9.816 1.00 0.00 C ATOM 583 CD LYS A 40 4.418 -15.539 -10.799 1.00 0.00 C ATOM 584 CE LYS A 40 5.091 -15.321 -12.146 1.00 0.00 C ATOM 585 NZ LYS A 40 4.174 -14.675 -13.125 1.00 0.00 N ATOM 0 H LYS A 40 5.068 -16.423 -7.154 1.00 0.00 H new ATOM 0 HA LYS A 40 7.555 -16.667 -8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.489 -14.461 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.852 -14.709 -9.689 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.024 -16.891 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.768 -16.847 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.520 -16.142 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.100 -14.580 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.977 -14.700 -12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.429 -16.278 -12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.669 -14.543 -14.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.340 -15.280 -13.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.871 -13.750 -12.759 1.00 0.00 H new ATOM 599 N LEU A 41 7.306 -13.750 -6.695 1.00 0.00 N ATOM 600 CA LEU A 41 8.087 -12.685 -6.075 1.00 0.00 C ATOM 601 C LEU A 41 8.950 -13.233 -4.942 1.00 0.00 C ATOM 602 O LEU A 41 10.168 -13.059 -4.938 1.00 0.00 O ATOM 603 CB LEU A 41 7.161 -11.591 -5.542 1.00 0.00 C ATOM 604 CG LEU A 41 6.778 -10.493 -6.536 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.605 -9.681 -6.008 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.969 -9.591 -6.820 1.00 0.00 C ATOM 0 H LEU A 41 6.296 -13.609 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 41 8.743 -12.259 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.247 -12.061 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.641 -11.124 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 41 6.475 -10.965 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.346 -8.905 -6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.747 -10.336 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.880 -9.219 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.678 -8.816 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.303 -9.127 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.781 -10.183 -7.243 1.00 0.00 H new ATOM 618 N ALA A 42 8.310 -13.896 -3.985 1.00 0.00 N ATOM 619 CA ALA A 42 9.020 -14.472 -2.850 1.00 0.00 C ATOM 620 C ALA A 42 10.238 -15.266 -3.309 1.00 0.00 C ATOM 621 O ALA A 42 11.287 -15.237 -2.666 1.00 0.00 O ATOM 622 CB ALA A 42 8.086 -15.358 -2.038 1.00 0.00 C ATOM 0 H ALA A 42 7.301 -14.048 -3.973 1.00 0.00 H new ATOM 0 HA ALA A 42 9.369 -13.655 -2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.629 -15.782 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.249 -14.764 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.709 -16.164 -2.668 1.00 0.00 H new ATOM 628 N ARG A 43 10.091 -15.973 -4.425 1.00 0.00 N ATOM 629 CA ARG A 43 11.180 -16.776 -4.969 1.00 0.00 C ATOM 630 C ARG A 43 12.322 -15.887 -5.453 1.00 0.00 C ATOM 631 O ARG A 43 13.491 -16.166 -5.192 1.00 0.00 O ATOM 632 CB ARG A 43 10.674 -17.646 -6.121 1.00 0.00 C ATOM 633 CG ARG A 43 9.832 -18.827 -5.667 1.00 0.00 C ATOM 634 CD ARG A 43 9.258 -19.590 -6.851 1.00 0.00 C ATOM 635 NE ARG A 43 10.270 -20.403 -7.520 1.00 0.00 N ATOM 636 CZ ARG A 43 10.186 -20.782 -8.790 1.00 0.00 C ATOM 637 NH1 ARG A 43 9.142 -20.423 -9.525 1.00 0.00 N ATOM 638 NH2 ARG A 43 11.148 -21.521 -9.329 1.00 0.00 N ATOM 0 H ARG A 43 9.229 -16.006 -4.970 1.00 0.00 H new ATOM 0 HA ARG A 43 11.555 -17.420 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.084 -17.029 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.528 -18.016 -6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.441 -19.498 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.020 -18.473 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.445 -20.231 -6.510 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.830 -18.885 -7.564 1.00 0.00 H new ATOM 0 HE ARG A 43 11.086 -20.696 -6.982 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.401 -19.854 -9.115 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.080 -20.716 -10.500 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.953 -21.799 -8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.082 -21.811 -10.305 1.00 0.00 H new ATOM 652 N GLU A 44 11.973 -14.816 -6.160 1.00 0.00 N ATOM 653 CA GLU A 44 12.969 -13.888 -6.681 1.00 0.00 C ATOM 654 C GLU A 44 13.640 -13.117 -5.548 1.00 0.00 C ATOM 655 O GLU A 44 14.860 -13.160 -5.390 1.00 0.00 O ATOM 656 CB GLU A 44 12.323 -12.910 -7.665 1.00 0.00 C ATOM 657 CG GLU A 44 12.229 -13.448 -9.083 1.00 0.00 C ATOM 658 CD GLU A 44 13.529 -13.302 -9.850 1.00 0.00 C ATOM 659 OE1 GLU A 44 14.038 -12.165 -9.943 1.00 0.00 O ATOM 660 OE2 GLU A 44 14.037 -14.324 -10.356 1.00 0.00 O ATOM 0 H GLU A 44 11.009 -14.570 -6.385 1.00 0.00 H new ATOM 0 HA GLU A 44 13.730 -14.468 -7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.322 -12.661 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.898 -11.984 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.947 -14.500 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.436 -12.922 -9.615 1.00 0.00 H new ATOM 667 N TRP A 45 12.834 -12.412 -4.762 1.00 0.00 N ATOM 668 CA TRP A 45 13.349 -11.630 -3.644 1.00 0.00 C ATOM 669 C TRP A 45 13.622 -12.521 -2.437 1.00 0.00 C ATOM 670 O TRP A 45 13.849 -12.031 -1.330 1.00 0.00 O ATOM 671 CB TRP A 45 12.357 -10.528 -3.266 1.00 0.00 C ATOM 672 CG TRP A 45 12.064 -9.582 -4.390 1.00 0.00 C ATOM 673 CD1 TRP A 45 11.047 -9.676 -5.296 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.797 -8.399 -4.728 1.00 0.00 C ATOM 675 NE1 TRP A 45 11.103 -8.623 -6.178 1.00 0.00 N ATOM 676 CE2 TRP A 45 12.167 -7.825 -5.850 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.922 -7.768 -4.191 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.628 -6.653 -6.443 1.00 0.00 C ATOM 679 CZ3 TRP A 45 14.378 -6.605 -4.781 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.732 -6.056 -5.897 1.00 0.00 C ATOM 0 H TRP A 45 11.822 -12.366 -4.878 1.00 0.00 H new ATOM 0 HA TRP A 45 14.288 -11.173 -3.955 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.425 -10.986 -2.934 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.754 -9.965 -2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.307 -10.462 -5.317 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.457 -8.462 -6.951 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.426 -8.182 -3.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 12.132 -6.230 -7.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 15.248 -6.110 -4.375 1.00 0.00 H new ATOM 0 HH2 TRP A 45 14.112 -5.145 -6.334 1.00 0.00 H new ATOM 691 N HIS A 46 13.599 -13.832 -2.657 1.00 0.00 N ATOM 692 CA HIS A 46 13.846 -14.791 -1.587 1.00 0.00 C ATOM 693 C HIS A 46 15.154 -14.477 -0.867 1.00 0.00 C ATOM 694 O HIS A 46 16.237 -14.515 -1.451 1.00 0.00 O ATOM 695 CB HIS A 46 13.887 -16.213 -2.147 1.00 0.00 C ATOM 696 CG HIS A 46 13.492 -17.261 -1.152 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.621 -17.092 0.210 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.965 -18.495 -1.328 1.00 0.00 C ATOM 699 CE1 HIS A 46 13.194 -18.178 0.829 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.790 -19.044 -0.082 1.00 0.00 N ATOM 0 H HIS A 46 13.412 -14.254 -3.567 1.00 0.00 H new ATOM 0 HA HIS A 46 13.029 -14.715 -0.869 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.223 -16.274 -3.009 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.895 -16.425 -2.505 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.727 -18.961 -2.273 1.00 0.00 H new ATOM 0 HE1 HIS A 46 13.178 -18.331 1.898 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.409 -19.971 0.109 1.00 0.00 H new ATOM 708 N PRO A 47 15.054 -14.160 0.433 1.00 0.00 N ATOM 709 CA PRO A 47 16.219 -13.833 1.260 1.00 0.00 C ATOM 710 C PRO A 47 17.101 -15.048 1.525 1.00 0.00 C ATOM 711 O PRO A 47 18.295 -14.914 1.793 1.00 0.00 O ATOM 712 CB PRO A 47 15.597 -13.329 2.565 1.00 0.00 C ATOM 713 CG PRO A 47 14.256 -13.976 2.620 1.00 0.00 C ATOM 714 CD PRO A 47 13.795 -14.095 1.194 1.00 0.00 C ATOM 0 HA PRO A 47 16.873 -13.108 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.205 -13.605 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.513 -12.242 2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.315 -14.956 3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.558 -13.379 3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.187 -14.986 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.188 -13.240 0.895 1.00 0.00 H new ATOM 722 N ASP A 48 16.506 -16.233 1.447 1.00 0.00 N ATOM 723 CA ASP A 48 17.238 -17.473 1.677 1.00 0.00 C ATOM 724 C ASP A 48 18.259 -17.715 0.569 1.00 0.00 C ATOM 725 O ASP A 48 19.348 -18.233 0.816 1.00 0.00 O ATOM 726 CB ASP A 48 16.270 -18.655 1.761 1.00 0.00 C ATOM 727 CG ASP A 48 15.566 -18.731 3.101 1.00 0.00 C ATOM 728 OD1 ASP A 48 15.190 -17.667 3.635 1.00 0.00 O ATOM 729 OD2 ASP A 48 15.392 -19.856 3.617 1.00 0.00 O ATOM 0 H ASP A 48 15.518 -16.361 1.226 1.00 0.00 H new ATOM 0 HA ASP A 48 17.770 -17.381 2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.527 -18.570 0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.817 -19.582 1.588 1.00 0.00 H new ATOM 734 N LYS A 49 17.900 -17.336 -0.652 1.00 0.00 N ATOM 735 CA LYS A 49 18.783 -17.510 -1.799 1.00 0.00 C ATOM 736 C LYS A 49 19.556 -16.228 -2.091 1.00 0.00 C ATOM 737 O LYS A 49 20.678 -16.269 -2.592 1.00 0.00 O ATOM 738 CB LYS A 49 17.977 -17.924 -3.032 1.00 0.00 C ATOM 739 CG LYS A 49 18.796 -17.958 -4.311 1.00 0.00 C ATOM 740 CD LYS A 49 18.022 -18.597 -5.452 1.00 0.00 C ATOM 741 CE LYS A 49 18.952 -19.081 -6.554 1.00 0.00 C ATOM 742 NZ LYS A 49 19.613 -20.367 -6.197 1.00 0.00 N ATOM 0 H LYS A 49 17.002 -16.906 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 49 19.497 -18.297 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.547 -18.910 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.145 -17.231 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.082 -16.943 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.718 -18.514 -4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.438 -19.436 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.315 -17.876 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.386 -19.207 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.712 -18.323 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.539 -20.424 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.745 -20.415 -5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.018 -21.161 -6.507 1.00 0.00 H new ATOM 756 N ASN A 50 18.947 -15.090 -1.771 1.00 0.00 N ATOM 757 CA ASN A 50 19.579 -13.795 -1.998 1.00 0.00 C ATOM 758 C ASN A 50 20.726 -13.570 -1.017 1.00 0.00 C ATOM 759 O ASN A 50 20.504 -13.342 0.173 1.00 0.00 O ATOM 760 CB ASN A 50 18.550 -12.672 -1.863 1.00 0.00 C ATOM 761 CG ASN A 50 17.873 -12.347 -3.181 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.495 -12.403 -4.241 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.591 -12.004 -3.119 1.00 0.00 N ATOM 0 H ASN A 50 18.017 -15.039 -1.354 1.00 0.00 H new ATOM 0 HA ASN A 50 19.984 -13.788 -3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.795 -12.960 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 50 19.041 -11.777 -1.479 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.083 -11.774 -3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.115 -11.971 -2.218 1.00 0.00 H new ATOM 770 N LYS A 51 21.952 -13.635 -1.524 1.00 0.00 N ATOM 771 CA LYS A 51 23.135 -13.437 -0.695 1.00 0.00 C ATOM 772 C LYS A 51 23.302 -11.965 -0.328 1.00 0.00 C ATOM 773 O LYS A 51 23.619 -11.633 0.814 1.00 0.00 O ATOM 774 CB LYS A 51 24.384 -13.936 -1.424 1.00 0.00 C ATOM 775 CG LYS A 51 25.461 -14.465 -0.493 1.00 0.00 C ATOM 776 CD LYS A 51 26.260 -13.336 0.135 1.00 0.00 C ATOM 777 CE LYS A 51 27.168 -13.845 1.244 1.00 0.00 C ATOM 778 NZ LYS A 51 26.409 -14.144 2.490 1.00 0.00 N ATOM 0 H LYS A 51 22.153 -13.823 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 51 23.004 -14.010 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.098 -14.725 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.797 -13.121 -2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 51 25.002 -15.067 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.132 -15.122 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.860 -12.844 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.578 -12.586 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 51 27.682 -14.745 0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 51 27.935 -13.100 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.071 -14.423 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 25.884 -13.297 2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 25.741 -14.921 2.312 1.00 0.00 H new ATOM 792 N ASP A 52 23.084 -11.089 -1.302 1.00 0.00 N ATOM 793 CA ASP A 52 23.208 -9.653 -1.081 1.00 0.00 C ATOM 794 C ASP A 52 22.359 -9.211 0.107 1.00 0.00 C ATOM 795 O ASP A 52 21.189 -9.572 0.234 1.00 0.00 O ATOM 796 CB ASP A 52 22.790 -8.884 -2.335 1.00 0.00 C ATOM 797 CG ASP A 52 23.878 -8.865 -3.391 1.00 0.00 C ATOM 798 OD1 ASP A 52 25.058 -8.684 -3.025 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.549 -9.032 -4.584 1.00 0.00 O ATOM 0 H ASP A 52 22.820 -11.348 -2.253 1.00 0.00 H new ATOM 0 HA ASP A 52 24.253 -9.434 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.890 -9.336 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.535 -7.860 -2.062 1.00 0.00 H new ATOM 804 N PRO A 53 22.962 -8.412 1.000 1.00 0.00 N ATOM 805 CA PRO A 53 22.280 -7.904 2.195 1.00 0.00 C ATOM 806 C PRO A 53 21.204 -6.879 1.856 1.00 0.00 C ATOM 807 O PRO A 53 21.493 -5.823 1.295 1.00 0.00 O ATOM 808 CB PRO A 53 23.408 -7.251 2.996 1.00 0.00 C ATOM 809 CG PRO A 53 24.433 -6.884 1.979 1.00 0.00 C ATOM 810 CD PRO A 53 24.354 -7.942 0.913 1.00 0.00 C ATOM 0 HA PRO A 53 21.759 -8.695 2.734 1.00 0.00 H new ATOM 0 HB2 PRO A 53 23.053 -6.373 3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.815 -7.938 3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 53 24.235 -5.896 1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.428 -6.850 2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 53 24.580 -7.536 -0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 53 25.063 -8.750 1.095 1.00 0.00 H new ATOM 818 N GLY A 54 19.960 -7.197 2.201 1.00 0.00 N ATOM 819 CA GLY A 54 18.859 -6.292 1.925 1.00 0.00 C ATOM 820 C GLY A 54 17.714 -6.974 1.203 1.00 0.00 C ATOM 821 O GLY A 54 16.547 -6.672 1.449 1.00 0.00 O ATOM 0 H GLY A 54 19.695 -8.065 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 54 18.494 -5.872 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.220 -5.459 1.322 1.00 0.00 H new ATOM 825 N ALA A 55 18.049 -7.897 0.306 1.00 0.00 N ATOM 826 CA ALA A 55 17.040 -8.624 -0.455 1.00 0.00 C ATOM 827 C ALA A 55 15.824 -8.940 0.409 1.00 0.00 C ATOM 828 O ALA A 55 14.685 -8.820 -0.041 1.00 0.00 O ATOM 829 CB ALA A 55 17.632 -9.904 -1.027 1.00 0.00 C ATOM 0 H ALA A 55 19.011 -8.158 0.089 1.00 0.00 H new ATOM 0 HA ALA A 55 16.712 -7.989 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.868 -10.437 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.465 -9.657 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.988 -10.536 -0.213 1.00 0.00 H new ATOM 835 N GLU A 56 16.074 -9.345 1.650 1.00 0.00 N ATOM 836 CA GLU A 56 14.998 -9.681 2.575 1.00 0.00 C ATOM 837 C GLU A 56 13.985 -8.543 2.667 1.00 0.00 C ATOM 838 O GLU A 56 12.786 -8.748 2.477 1.00 0.00 O ATOM 839 CB GLU A 56 15.565 -9.986 3.963 1.00 0.00 C ATOM 840 CG GLU A 56 14.503 -10.337 4.991 1.00 0.00 C ATOM 841 CD GLU A 56 15.080 -11.009 6.221 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.270 -10.778 6.521 1.00 0.00 O ATOM 843 OE2 GLU A 56 14.342 -11.767 6.885 1.00 0.00 O ATOM 0 H GLU A 56 17.012 -9.448 2.038 1.00 0.00 H new ATOM 0 HA GLU A 56 14.490 -10.567 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.270 -10.814 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.127 -9.121 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.978 -9.430 5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.765 -10.996 4.534 1.00 0.00 H new ATOM 850 N ASP A 57 14.477 -7.344 2.959 1.00 0.00 N ATOM 851 CA ASP A 57 13.616 -6.173 3.075 1.00 0.00 C ATOM 852 C ASP A 57 12.459 -6.247 2.083 1.00 0.00 C ATOM 853 O ASP A 57 11.292 -6.209 2.471 1.00 0.00 O ATOM 854 CB ASP A 57 14.423 -4.895 2.842 1.00 0.00 C ATOM 855 CG ASP A 57 13.844 -3.702 3.578 1.00 0.00 C ATOM 856 OD1 ASP A 57 13.595 -3.819 4.796 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.641 -2.651 2.935 1.00 0.00 O ATOM 0 H ASP A 57 15.467 -7.158 3.120 1.00 0.00 H new ATOM 0 HA ASP A 57 13.204 -6.155 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.451 -5.054 3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.455 -4.679 1.774 1.00 0.00 H new ATOM 862 N ARG A 58 12.793 -6.351 0.801 1.00 0.00 N ATOM 863 CA ARG A 58 11.782 -6.429 -0.247 1.00 0.00 C ATOM 864 C ARG A 58 10.848 -7.613 -0.016 1.00 0.00 C ATOM 865 O ARG A 58 9.626 -7.472 -0.064 1.00 0.00 O ATOM 866 CB ARG A 58 12.448 -6.551 -1.619 1.00 0.00 C ATOM 867 CG ARG A 58 11.604 -6.001 -2.757 1.00 0.00 C ATOM 868 CD ARG A 58 11.664 -4.482 -2.811 1.00 0.00 C ATOM 869 NE ARG A 58 11.399 -3.971 -4.153 1.00 0.00 N ATOM 870 CZ ARG A 58 10.178 -3.757 -4.630 1.00 0.00 C ATOM 871 NH1 ARG A 58 9.115 -4.007 -3.878 1.00 0.00 N ATOM 872 NH2 ARG A 58 10.018 -3.290 -5.862 1.00 0.00 N ATOM 0 H ARG A 58 13.755 -6.383 0.463 1.00 0.00 H new ATOM 0 HA ARG A 58 11.192 -5.513 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.402 -6.024 -1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.667 -7.601 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.954 -6.414 -3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.570 -6.321 -2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.936 -4.066 -2.114 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.648 -4.146 -2.483 1.00 0.00 H new ATOM 0 HE ARG A 58 12.195 -3.767 -4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.234 -4.365 -2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.179 -3.842 -4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.833 -3.095 -6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.080 -3.126 -6.227 1.00 0.00 H new ATOM 886 N PHE A 59 11.432 -8.780 0.235 1.00 0.00 N ATOM 887 CA PHE A 59 10.653 -9.989 0.472 1.00 0.00 C ATOM 888 C PHE A 59 9.580 -9.746 1.530 1.00 0.00 C ATOM 889 O PHE A 59 8.406 -10.053 1.320 1.00 0.00 O ATOM 890 CB PHE A 59 11.568 -11.134 0.911 1.00 0.00 C ATOM 891 CG PHE A 59 10.831 -12.292 1.520 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.547 -12.313 2.876 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.421 -13.358 0.737 1.00 0.00 C ATOM 894 CE1 PHE A 59 9.868 -13.378 3.439 1.00 0.00 C ATOM 895 CE2 PHE A 59 9.742 -14.426 1.294 1.00 0.00 C ATOM 896 CZ PHE A 59 9.465 -14.435 2.647 1.00 0.00 C ATOM 0 H PHE A 59 12.442 -8.914 0.279 1.00 0.00 H new ATOM 0 HA PHE A 59 10.162 -10.263 -0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.134 -11.487 0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.291 -10.754 1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.859 -11.489 3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.634 -13.355 -0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.653 -13.383 4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.429 -15.252 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.934 -15.267 3.085 1.00 0.00 H new ATOM 906 N ILE A 60 9.992 -9.194 2.666 1.00 0.00 N ATOM 907 CA ILE A 60 9.068 -8.909 3.756 1.00 0.00 C ATOM 908 C ILE A 60 7.801 -8.235 3.240 1.00 0.00 C ATOM 909 O ILE A 60 6.690 -8.611 3.615 1.00 0.00 O ATOM 910 CB ILE A 60 9.716 -8.009 4.823 1.00 0.00 C ATOM 911 CG1 ILE A 60 10.969 -8.678 5.394 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.721 -7.702 5.933 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.874 -7.726 6.144 1.00 0.00 C ATOM 0 H ILE A 60 10.960 -8.935 2.855 1.00 0.00 H new ATOM 0 HA ILE A 60 8.810 -9.866 4.209 1.00 0.00 H new ATOM 0 HB ILE A 60 10.010 -7.070 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.668 -9.484 6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.531 -9.134 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.194 -7.065 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.855 -7.189 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.400 -8.632 6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.741 -8.269 6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.205 -6.934 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.329 -7.288 6.980 1.00 0.00 H new ATOM 925 N GLN A 61 7.976 -7.240 2.377 1.00 0.00 N ATOM 926 CA GLN A 61 6.846 -6.514 1.809 1.00 0.00 C ATOM 927 C GLN A 61 5.951 -7.447 1.000 1.00 0.00 C ATOM 928 O GLN A 61 4.732 -7.458 1.172 1.00 0.00 O ATOM 929 CB GLN A 61 7.341 -5.369 0.925 1.00 0.00 C ATOM 930 CG GLN A 61 7.531 -4.060 1.674 1.00 0.00 C ATOM 931 CD GLN A 61 7.973 -2.927 0.768 1.00 0.00 C ATOM 932 OE1 GLN A 61 9.124 -2.876 0.336 1.00 0.00 O ATOM 933 NE2 GLN A 61 7.056 -2.012 0.475 1.00 0.00 N ATOM 0 H GLN A 61 8.889 -6.918 2.056 1.00 0.00 H new ATOM 0 HA GLN A 61 6.261 -6.102 2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.288 -5.657 0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.630 -5.214 0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.596 -3.786 2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.272 -4.201 2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.113 -2.094 0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.294 -1.227 -0.131 1.00 0.00 H new ATOM 942 N ILE A 62 6.565 -8.229 0.117 1.00 0.00 N ATOM 943 CA ILE A 62 5.823 -9.166 -0.718 1.00 0.00 C ATOM 944 C ILE A 62 4.958 -10.091 0.130 1.00 0.00 C ATOM 945 O ILE A 62 3.746 -10.181 -0.070 1.00 0.00 O ATOM 946 CB ILE A 62 6.769 -10.017 -1.585 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.601 -9.120 -2.504 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.976 -11.028 -2.399 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.959 -9.694 -2.842 1.00 0.00 C ATOM 0 H ILE A 62 7.573 -8.232 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 62 5.183 -8.571 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 62 7.448 -10.561 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.048 -8.948 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.735 -8.149 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.659 -11.622 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.425 -11.685 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.276 -10.503 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.493 -9.005 -3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.531 -9.840 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.834 -10.651 -3.348 1.00 0.00 H new ATOM 961 N SER A 63 5.587 -10.778 1.078 1.00 0.00 N ATOM 962 CA SER A 63 4.875 -11.699 1.956 1.00 0.00 C ATOM 963 C SER A 63 3.732 -10.989 2.676 1.00 0.00 C ATOM 964 O SER A 63 2.597 -11.465 2.684 1.00 0.00 O ATOM 965 CB SER A 63 5.836 -12.309 2.978 1.00 0.00 C ATOM 966 OG SER A 63 5.199 -13.324 3.735 1.00 0.00 O ATOM 0 H SER A 63 6.589 -10.714 1.258 1.00 0.00 H new ATOM 0 HA SER A 63 4.455 -12.496 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.703 -12.724 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.204 -11.530 3.646 1.00 0.00 H new ATOM 0 HG SER A 63 5.835 -13.699 4.380 1.00 0.00 H new ATOM 972 N LYS A 64 4.041 -9.847 3.280 1.00 0.00 N ATOM 973 CA LYS A 64 3.042 -9.069 4.002 1.00 0.00 C ATOM 974 C LYS A 64 1.897 -8.662 3.079 1.00 0.00 C ATOM 975 O LYS A 64 0.731 -8.697 3.469 1.00 0.00 O ATOM 976 CB LYS A 64 3.683 -7.823 4.617 1.00 0.00 C ATOM 977 CG LYS A 64 4.369 -8.084 5.946 1.00 0.00 C ATOM 978 CD LYS A 64 4.449 -6.824 6.791 1.00 0.00 C ATOM 979 CE LYS A 64 5.707 -6.026 6.484 1.00 0.00 C ATOM 980 NZ LYS A 64 5.525 -4.575 6.765 1.00 0.00 N ATOM 0 H LYS A 64 4.976 -9.439 3.284 1.00 0.00 H new ATOM 0 HA LYS A 64 2.638 -9.693 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.411 -7.416 3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.916 -7.062 4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.825 -8.855 6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.374 -8.468 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.571 -6.205 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.435 -7.092 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.535 -6.410 7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.977 -6.162 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.404 -4.066 6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.751 -4.202 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.292 -4.443 7.770 1.00 0.00 H new ATOM 994 N ALA A 65 2.240 -8.277 1.854 1.00 0.00 N ATOM 995 CA ALA A 65 1.240 -7.868 0.875 1.00 0.00 C ATOM 996 C ALA A 65 0.207 -8.967 0.652 1.00 0.00 C ATOM 997 O ALA A 65 -0.994 -8.745 0.806 1.00 0.00 O ATOM 998 CB ALA A 65 1.911 -7.496 -0.439 1.00 0.00 C ATOM 0 H ALA A 65 3.202 -8.240 1.516 1.00 0.00 H new ATOM 0 HA ALA A 65 0.721 -6.993 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.153 -7.192 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.605 -6.672 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.456 -8.357 -0.825 1.00 0.00 H new ATOM 1004 N TYR A 66 0.682 -10.153 0.287 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.201 -11.286 0.039 1.00 0.00 C ATOM 1006 C TYR A 66 -0.941 -11.688 1.311 1.00 0.00 C ATOM 1007 O TYR A 66 -2.138 -11.972 1.282 1.00 0.00 O ATOM 1008 CB TYR A 66 0.599 -12.475 -0.496 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.250 -13.691 -0.792 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.480 -13.567 -1.427 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.178 -14.965 -0.437 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -2.259 -14.675 -1.699 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.593 -16.078 -0.707 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.811 -15.928 -1.337 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.583 -17.035 -1.606 1.00 0.00 O ATOM 0 H TYR A 66 1.673 -10.354 0.156 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.936 -10.985 -0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.117 -12.174 -1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.364 -12.745 0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.833 -12.587 -1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.130 -15.086 0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.213 -14.561 -2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.244 -17.061 -0.426 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.483 -16.750 -1.870 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.219 -11.710 2.427 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.807 -12.077 3.710 1.00 0.00 C ATOM 1027 C GLU A 67 -2.204 -11.483 3.858 1.00 0.00 C ATOM 1028 O GLU A 67 -3.131 -12.155 4.312 1.00 0.00 O ATOM 1029 CB GLU A 67 0.086 -11.603 4.859 1.00 0.00 C ATOM 1030 CG GLU A 67 1.285 -12.502 5.109 1.00 0.00 C ATOM 1031 CD GLU A 67 0.934 -13.728 5.930 1.00 0.00 C ATOM 1032 OE1 GLU A 67 0.041 -14.490 5.504 1.00 0.00 O ATOM 1033 OE2 GLU A 67 1.552 -13.925 6.996 1.00 0.00 O ATOM 0 H GLU A 67 0.773 -11.478 2.469 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.888 -13.163 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.438 -10.594 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.509 -11.544 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.704 -12.817 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.059 -11.934 5.624 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.347 -10.219 3.472 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.631 -9.535 3.562 1.00 0.00 C ATOM 1042 C ILE A 68 -4.684 -10.227 2.703 1.00 0.00 C ATOM 1043 O ILE A 68 -5.750 -10.604 3.193 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.515 -8.062 3.125 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.511 -7.322 4.010 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -4.877 -7.385 3.178 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.009 -6.030 3.405 1.00 0.00 C ATOM 0 H ILE A 68 -1.590 -9.649 3.094 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.937 -9.573 4.608 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.155 -8.031 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.977 -7.106 4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.661 -7.976 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.779 -6.345 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.566 -7.901 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.263 -7.424 4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.301 -5.560 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.514 -6.240 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.850 -5.358 3.234 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.379 -10.392 1.421 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.298 -11.041 0.493 1.00 0.00 C ATOM 1061 C LEU A 69 -5.467 -12.518 0.838 1.00 0.00 C ATOM 1062 O LEU A 69 -6.568 -12.970 1.152 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.792 -10.896 -0.943 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.341 -9.494 -1.357 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.724 -9.521 -2.747 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.510 -8.522 -1.309 1.00 0.00 C ATOM 0 H LEU A 69 -3.502 -10.085 1.000 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.268 -10.552 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.956 -11.581 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.584 -11.216 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.583 -9.154 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.409 -8.515 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.860 -10.185 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.460 -9.882 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.171 -7.530 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.291 -8.858 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.907 -8.481 -0.295 1.00 0.00 H new ATOM 1078 N SER A 70 -4.369 -13.263 0.778 1.00 0.00 N ATOM 1079 CA SER A 70 -4.396 -14.689 1.082 1.00 0.00 C ATOM 1080 C SER A 70 -5.383 -14.987 2.206 1.00 0.00 C ATOM 1081 O SER A 70 -6.213 -15.888 2.096 1.00 0.00 O ATOM 1082 CB SER A 70 -2.999 -15.175 1.473 1.00 0.00 C ATOM 1083 OG SER A 70 -2.939 -16.591 1.497 1.00 0.00 O ATOM 0 H SER A 70 -3.449 -12.903 0.522 1.00 0.00 H new ATOM 0 HA SER A 70 -4.721 -15.220 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.265 -14.789 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.735 -14.780 2.454 1.00 0.00 H new ATOM 0 HG SER A 70 -2.562 -16.917 0.653 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.286 -14.221 3.288 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.170 -14.401 4.434 1.00 0.00 C ATOM 1091 C ASN A 71 -7.598 -13.989 4.090 1.00 0.00 C ATOM 1092 O ASN A 71 -7.816 -13.059 3.315 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.665 -13.587 5.627 1.00 0.00 C ATOM 1094 CG ASN A 71 -6.329 -13.994 6.928 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -7.454 -13.586 7.219 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -5.634 -14.804 7.719 1.00 0.00 N ATOM 0 H ASN A 71 -4.604 -13.470 3.395 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.170 -15.458 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.586 -13.713 5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.848 -12.528 5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.029 -15.112 8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.705 -15.118 7.438 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.566 -14.689 4.674 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.974 -14.395 4.428 1.00 0.00 C ATOM 1105 C GLU A 72 -10.438 -13.213 5.274 1.00 0.00 C ATOM 1106 O GLU A 72 -11.221 -12.380 4.817 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.834 -15.623 4.733 1.00 0.00 C ATOM 1108 CG GLU A 72 -10.676 -16.140 6.153 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.872 -16.949 6.616 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.016 -16.525 6.347 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.665 -18.006 7.248 1.00 0.00 O ATOM 0 H GLU A 72 -8.402 -15.462 5.319 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.087 -14.133 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.881 -15.375 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.576 -16.419 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.779 -16.757 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.529 -15.297 6.828 1.00 0.00 H new ATOM 1118 N GLU A 73 -9.949 -13.147 6.508 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.315 -12.067 7.417 1.00 0.00 C ATOM 1120 C GLU A 73 -9.773 -10.730 6.921 1.00 0.00 C ATOM 1121 O GLU A 73 -10.535 -9.825 6.580 1.00 0.00 O ATOM 1122 CB GLU A 73 -9.787 -12.354 8.824 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.359 -13.618 9.443 1.00 0.00 C ATOM 1124 CD GLU A 73 -9.504 -14.153 10.575 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -8.422 -14.707 10.290 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -9.916 -14.017 11.746 1.00 0.00 O ATOM 0 H GLU A 73 -9.299 -13.828 6.901 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.403 -12.008 7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.701 -12.438 8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.018 -11.507 9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.362 -13.413 9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.456 -14.383 8.673 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.450 -10.613 6.884 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.802 -9.388 6.430 1.00 0.00 C ATOM 1135 C LYS A 74 -8.419 -8.899 5.123 1.00 0.00 C ATOM 1136 O LYS A 74 -8.863 -7.754 5.026 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.301 -9.620 6.241 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.513 -9.585 7.539 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.077 -10.037 7.332 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.276 -9.957 8.622 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.664 -8.613 8.813 1.00 0.00 N ATOM 0 H LYS A 74 -7.805 -11.352 7.163 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.952 -8.623 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.149 -10.586 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.907 -8.861 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.522 -8.573 7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.995 -10.228 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.067 -11.061 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.605 -9.416 6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.926 -10.184 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.492 -10.714 8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.127 -8.600 9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.024 -8.407 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.413 -7.893 8.850 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.445 -9.773 4.123 1.00 0.00 N ATOM 1156 CA ARG A 75 -9.009 -9.429 2.823 1.00 0.00 C ATOM 1157 C ARG A 75 -10.414 -8.853 2.974 1.00 0.00 C ATOM 1158 O ARG A 75 -10.687 -7.731 2.546 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.046 -10.662 1.917 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.118 -10.327 0.436 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.344 -11.574 -0.406 1.00 0.00 C ATOM 1162 NE ARG A 75 -10.756 -11.938 -0.477 1.00 0.00 N ATOM 1163 CZ ARG A 75 -11.638 -11.315 -1.251 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.254 -10.302 -2.016 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -12.906 -11.705 -1.261 1.00 0.00 N ATOM 0 H ARG A 75 -8.082 -10.724 4.187 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.372 -8.671 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.157 -11.265 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.907 -11.274 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.926 -9.617 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.193 -9.840 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.962 -11.406 -1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.777 -12.404 0.016 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.083 -12.713 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.280 -10.000 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.933 -9.825 -2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.205 -12.484 -0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.582 -11.226 -1.856 1.00 0.00 H new ATOM 1179 N THR A 76 -11.303 -9.629 3.586 1.00 0.00 N ATOM 1180 CA THR A 76 -12.680 -9.198 3.792 1.00 0.00 C ATOM 1181 C THR A 76 -12.738 -7.743 4.243 1.00 0.00 C ATOM 1182 O THR A 76 -13.271 -6.886 3.538 1.00 0.00 O ATOM 1183 CB THR A 76 -13.393 -10.076 4.837 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.466 -11.429 4.373 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.794 -9.555 5.117 1.00 0.00 C ATOM 0 H THR A 76 -11.094 -10.559 3.948 1.00 0.00 H new ATOM 0 HA THR A 76 -13.190 -9.300 2.834 1.00 0.00 H new ATOM 0 HB THR A 76 -12.818 -10.040 5.762 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.873 -11.992 4.912 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.278 -10.191 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.734 -8.536 5.498 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.376 -9.564 4.196 1.00 0.00 H new