USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 674 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 12 SER OG : rot 180:sc= -0.216 USER MOD Set 1.2: A 22 THR OG1 : rot 92:sc= 0.737 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 125:sc= 1.25 USER MOD Single : A 21 MET CE :methyl -160:sc= -0.201 (180deg=-0.843) USER MOD Single : A 30 ASN : amide:sc= -0.305 K(o=-0.3,f=-9.4!) USER MOD Single : A 31 THR OG1 : rot -47:sc= -0.201 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 1.1 (180deg=-0.186) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.16) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.208 K(o=0.21,f=-0.53) USER MOD Single : A 69 SER OG : rot 84:sc= 1.22 USER MOD Single : A 72 SER OG : rot 82:sc= 1.12 USER MOD Single : A 77 HIS : no HD1:sc= -0.88 K(o=-0.88,f=-0.018) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= 1.01 (180deg=0.522) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00582 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0.136 USER MOD Single : A 92 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 11 5.357 13.058 -10.339 1.00 0.00 N ATOM 175 CA ARG A 11 5.898 12.181 -9.322 1.00 0.00 C ATOM 176 C ARG A 11 5.055 10.918 -9.245 1.00 0.00 C ATOM 177 O ARG A 11 4.114 10.818 -8.454 1.00 0.00 O ATOM 178 CB ARG A 11 5.956 12.856 -7.953 1.00 0.00 C ATOM 179 CG ARG A 11 6.630 11.993 -6.901 1.00 0.00 C ATOM 180 CD ARG A 11 6.024 12.227 -5.534 1.00 0.00 C ATOM 181 NE ARG A 11 6.624 11.373 -4.504 1.00 0.00 N ATOM 182 CZ ARG A 11 6.424 11.530 -3.190 1.00 0.00 C ATOM 183 NH1 ARG A 11 5.669 12.527 -2.739 1.00 0.00 N ATOM 184 NH2 ARG A 11 6.981 10.687 -2.326 1.00 0.00 N ATOM 0 HA ARG A 11 6.921 11.932 -9.603 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.493 13.800 -8.041 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.944 13.094 -7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.531 10.942 -7.171 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.697 12.216 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.154 13.273 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.951 12.040 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 11 7.232 10.612 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.238 13.178 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.521 12.641 -1.736 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.562 9.920 -2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.828 10.808 -1.325 1.00 0.00 H new ATOM 198 N SER A 12 5.382 9.980 -10.104 1.00 0.00 N ATOM 199 CA SER A 12 4.679 8.715 -10.179 1.00 0.00 C ATOM 200 C SER A 12 5.648 7.566 -9.935 1.00 0.00 C ATOM 201 O SER A 12 6.809 7.628 -10.343 1.00 0.00 O ATOM 202 CB SER A 12 4.013 8.562 -11.550 1.00 0.00 C ATOM 203 OG SER A 12 3.191 9.680 -11.844 1.00 0.00 O ATOM 0 H SER A 12 6.146 10.071 -10.774 1.00 0.00 H new ATOM 0 HA SER A 12 3.906 8.694 -9.410 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.777 8.456 -12.320 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.414 7.651 -11.568 1.00 0.00 H new ATOM 0 HG SER A 12 2.778 9.560 -12.725 1.00 0.00 H new ATOM 209 N VAL A 13 5.178 6.527 -9.268 1.00 0.00 N ATOM 210 CA VAL A 13 6.023 5.386 -8.952 1.00 0.00 C ATOM 211 C VAL A 13 5.688 4.195 -9.841 1.00 0.00 C ATOM 212 O VAL A 13 4.520 3.837 -10.012 1.00 0.00 O ATOM 213 CB VAL A 13 5.913 4.983 -7.464 1.00 0.00 C ATOM 214 CG1 VAL A 13 6.625 6.000 -6.587 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.456 4.849 -7.040 1.00 0.00 C ATOM 0 H VAL A 13 4.217 6.448 -8.934 1.00 0.00 H new ATOM 0 HA VAL A 13 7.052 5.691 -9.143 1.00 0.00 H new ATOM 0 HB VAL A 13 6.394 4.013 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.539 5.703 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.678 6.047 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.170 6.981 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.408 4.565 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.947 5.802 -7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.970 4.084 -7.645 1.00 0.00 H new ATOM 225 N THR A 14 6.716 3.597 -10.426 1.00 0.00 N ATOM 226 CA THR A 14 6.533 2.441 -11.290 1.00 0.00 C ATOM 227 C THR A 14 6.667 1.153 -10.488 1.00 0.00 C ATOM 228 O THR A 14 7.752 0.812 -10.007 1.00 0.00 O ATOM 229 CB THR A 14 7.552 2.439 -12.445 1.00 0.00 C ATOM 230 OG1 THR A 14 7.551 3.723 -13.081 1.00 0.00 O ATOM 231 CG2 THR A 14 7.212 1.360 -13.466 1.00 0.00 C ATOM 0 H THR A 14 7.686 3.894 -10.318 1.00 0.00 H new ATOM 0 HA THR A 14 5.531 2.501 -11.714 1.00 0.00 H new ATOM 0 HB THR A 14 8.541 2.228 -12.038 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.200 3.725 -13.815 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.945 1.378 -14.272 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.228 0.383 -12.982 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.219 1.546 -13.875 1.00 0.00 H new ATOM 239 N LEU A 15 5.559 0.451 -10.335 1.00 0.00 N ATOM 240 CA LEU A 15 5.545 -0.789 -9.578 1.00 0.00 C ATOM 241 C LEU A 15 5.976 -1.950 -10.469 1.00 0.00 C ATOM 242 O LEU A 15 5.847 -1.873 -11.691 1.00 0.00 O ATOM 243 CB LEU A 15 4.142 -1.047 -9.017 1.00 0.00 C ATOM 244 CG LEU A 15 3.567 0.081 -8.161 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.164 -0.266 -7.700 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.465 0.362 -6.964 1.00 0.00 C ATOM 0 H LEU A 15 4.655 0.718 -10.725 1.00 0.00 H new ATOM 0 HA LEU A 15 6.245 -0.704 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.463 -1.232 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.169 -1.958 -8.419 1.00 0.00 H new ATOM 0 HG LEU A 15 3.520 0.983 -8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.769 0.548 -7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.522 -0.414 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.191 -1.181 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.036 1.168 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.547 -0.536 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.455 0.655 -7.313 1.00 0.00 H new ATOM 258 N PRO A 16 6.481 -3.048 -9.873 1.00 0.00 N ATOM 259 CA PRO A 16 6.905 -4.243 -10.624 1.00 0.00 C ATOM 260 C PRO A 16 5.742 -4.919 -11.354 1.00 0.00 C ATOM 261 O PRO A 16 5.931 -5.878 -12.101 1.00 0.00 O ATOM 262 CB PRO A 16 7.473 -5.173 -9.544 1.00 0.00 C ATOM 263 CG PRO A 16 6.870 -4.696 -8.267 1.00 0.00 C ATOM 264 CD PRO A 16 6.692 -3.213 -8.422 1.00 0.00 C ATOM 0 HA PRO A 16 7.623 -3.992 -11.405 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.210 -6.212 -9.740 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.561 -5.120 -9.510 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.915 -5.186 -8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.517 -4.925 -7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.841 -2.847 -7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.569 -2.664 -8.078 1.00 0.00 H new ATOM 272 N ASP A 17 4.541 -4.402 -11.137 1.00 0.00 N ATOM 273 CA ASP A 17 3.344 -4.916 -11.794 1.00 0.00 C ATOM 274 C ASP A 17 3.235 -4.347 -13.204 1.00 0.00 C ATOM 275 O ASP A 17 2.563 -4.911 -14.067 1.00 0.00 O ATOM 276 CB ASP A 17 2.098 -4.549 -10.973 1.00 0.00 C ATOM 277 CG ASP A 17 0.800 -4.969 -11.642 1.00 0.00 C ATOM 278 OD1 ASP A 17 0.534 -6.186 -11.731 1.00 0.00 O ATOM 279 OD2 ASP A 17 0.040 -4.081 -12.081 1.00 0.00 O ATOM 0 H ASP A 17 4.367 -3.620 -10.506 1.00 0.00 H new ATOM 0 HA ASP A 17 3.414 -6.002 -11.861 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.164 -5.021 -9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.083 -3.472 -10.808 1.00 0.00 H new ATOM 284 N GLY A 18 3.925 -3.239 -13.437 1.00 0.00 N ATOM 285 CA GLY A 18 3.841 -2.561 -14.717 1.00 0.00 C ATOM 286 C GLY A 18 2.938 -1.353 -14.632 1.00 0.00 C ATOM 287 O GLY A 18 3.027 -0.428 -15.443 1.00 0.00 O ATOM 0 H GLY A 18 4.545 -2.795 -12.759 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.837 -2.253 -15.035 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.463 -3.249 -15.473 1.00 0.00 H new ATOM 291 N SER A 19 2.067 -1.364 -13.636 1.00 0.00 N ATOM 292 CA SER A 19 1.165 -0.259 -13.393 1.00 0.00 C ATOM 293 C SER A 19 1.885 0.857 -12.641 1.00 0.00 C ATOM 294 O SER A 19 2.617 0.604 -11.681 1.00 0.00 O ATOM 295 CB SER A 19 -0.042 -0.742 -12.587 1.00 0.00 C ATOM 296 OG SER A 19 -0.679 -1.836 -13.231 1.00 0.00 O ATOM 0 H SER A 19 1.968 -2.137 -12.978 1.00 0.00 H new ATOM 0 HA SER A 19 0.821 0.132 -14.350 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.278 -1.040 -11.589 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.752 0.076 -12.463 1.00 0.00 H new ATOM 0 HG SER A 19 -0.732 -2.594 -12.612 1.00 0.00 H new ATOM 302 N ILE A 20 1.694 2.085 -13.094 1.00 0.00 N ATOM 303 CA ILE A 20 2.286 3.237 -12.436 1.00 0.00 C ATOM 304 C ILE A 20 1.286 3.866 -11.475 1.00 0.00 C ATOM 305 O ILE A 20 0.114 4.050 -11.814 1.00 0.00 O ATOM 306 CB ILE A 20 2.776 4.297 -13.450 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.642 4.706 -14.400 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.972 3.761 -14.229 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.016 5.819 -15.356 1.00 0.00 C ATOM 0 H ILE A 20 1.133 2.310 -13.916 1.00 0.00 H new ATOM 0 HA ILE A 20 3.154 2.882 -11.881 1.00 0.00 H new ATOM 0 HB ILE A 20 3.089 5.186 -12.903 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.331 3.834 -14.976 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.782 5.021 -13.809 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.310 4.514 -14.941 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.781 3.526 -13.537 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.681 2.859 -14.767 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.164 6.052 -15.994 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.298 6.706 -14.789 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.856 5.501 -15.974 1.00 0.00 H new ATOM 321 N MET A 21 1.741 4.174 -10.273 1.00 0.00 N ATOM 322 CA MET A 21 0.873 4.754 -9.264 1.00 0.00 C ATOM 323 C MET A 21 1.175 6.228 -9.070 1.00 0.00 C ATOM 324 O MET A 21 2.337 6.636 -8.998 1.00 0.00 O ATOM 325 CB MET A 21 1.002 4.012 -7.935 1.00 0.00 C ATOM 326 CG MET A 21 0.288 2.674 -7.917 1.00 0.00 C ATOM 327 SD MET A 21 -1.494 2.836 -8.142 1.00 0.00 S ATOM 328 CE MET A 21 -1.927 3.792 -6.689 1.00 0.00 C ATOM 0 H MET A 21 2.705 4.032 -9.972 1.00 0.00 H new ATOM 0 HA MET A 21 -0.153 4.653 -9.617 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.058 3.854 -7.717 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.602 4.639 -7.138 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.694 2.039 -8.705 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.487 2.173 -6.970 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.992 3.680 -6.484 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.353 3.435 -5.834 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.700 4.844 -6.865 1.00 0.00 H new ATOM 338 N THR A 22 0.119 7.011 -9.002 1.00 0.00 N ATOM 339 CA THR A 22 0.224 8.439 -8.785 1.00 0.00 C ATOM 340 C THR A 22 -0.683 8.829 -7.623 1.00 0.00 C ATOM 341 O THR A 22 -1.578 8.063 -7.254 1.00 0.00 O ATOM 342 CB THR A 22 -0.196 9.215 -10.051 1.00 0.00 C ATOM 343 OG1 THR A 22 0.110 8.441 -11.218 1.00 0.00 O ATOM 344 CG2 THR A 22 0.521 10.553 -10.138 1.00 0.00 C ATOM 0 H THR A 22 -0.839 6.674 -9.096 1.00 0.00 H new ATOM 0 HA THR A 22 1.260 8.690 -8.556 1.00 0.00 H new ATOM 0 HB THR A 22 -1.269 9.398 -9.994 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.665 7.892 -11.459 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.205 11.077 -11.040 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.275 11.155 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.598 10.387 -10.173 1.00 0.00 H new ATOM 352 N ARG A 23 -0.470 10.008 -7.050 1.00 0.00 N ATOM 353 CA ARG A 23 -1.300 10.482 -5.943 1.00 0.00 C ATOM 354 C ARG A 23 -2.743 10.714 -6.404 1.00 0.00 C ATOM 355 O ARG A 23 -3.655 10.886 -5.596 1.00 0.00 O ATOM 356 CB ARG A 23 -0.700 11.761 -5.338 1.00 0.00 C ATOM 357 CG ARG A 23 -1.460 12.289 -4.129 1.00 0.00 C ATOM 358 CD ARG A 23 -0.643 13.290 -3.323 1.00 0.00 C ATOM 359 NE ARG A 23 -0.214 14.443 -4.115 1.00 0.00 N ATOM 360 CZ ARG A 23 -0.622 15.694 -3.897 1.00 0.00 C ATOM 361 NH1 ARG A 23 -1.529 15.951 -2.960 1.00 0.00 N ATOM 362 NH2 ARG A 23 -0.119 16.689 -4.617 1.00 0.00 N ATOM 0 H ARG A 23 0.268 10.654 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.319 9.714 -5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.332 11.564 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.673 12.536 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.384 12.762 -4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.743 11.454 -3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.235 13.637 -2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.235 12.790 -2.914 1.00 0.00 H new ATOM 0 HE ARG A 23 0.438 14.280 -4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.917 15.190 -2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.837 16.910 -2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.579 16.496 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.430 17.646 -4.452 1.00 0.00 H new ATOM 376 N ALA A 24 -2.944 10.698 -7.716 1.00 0.00 N ATOM 377 CA ALA A 24 -4.272 10.866 -8.293 1.00 0.00 C ATOM 378 C ALA A 24 -4.941 9.512 -8.555 1.00 0.00 C ATOM 379 O ALA A 24 -6.133 9.446 -8.864 1.00 0.00 O ATOM 380 CB ALA A 24 -4.178 11.665 -9.581 1.00 0.00 C ATOM 0 H ALA A 24 -2.201 10.570 -8.403 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.889 11.409 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.174 11.787 -10.007 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.751 12.645 -9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.542 11.137 -10.291 1.00 0.00 H new ATOM 386 N ASP A 25 -4.172 8.436 -8.424 1.00 0.00 N ATOM 387 CA ASP A 25 -4.684 7.089 -8.684 1.00 0.00 C ATOM 388 C ASP A 25 -5.165 6.431 -7.402 1.00 0.00 C ATOM 389 O ASP A 25 -5.815 5.387 -7.430 1.00 0.00 O ATOM 390 CB ASP A 25 -3.607 6.214 -9.330 1.00 0.00 C ATOM 391 CG ASP A 25 -3.343 6.578 -10.776 1.00 0.00 C ATOM 392 OD1 ASP A 25 -2.493 7.456 -11.025 1.00 0.00 O ATOM 393 OD2 ASP A 25 -3.986 5.985 -11.669 1.00 0.00 O ATOM 0 H ASP A 25 -3.193 8.467 -8.140 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.526 7.186 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.681 6.307 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.912 5.169 -9.273 1.00 0.00 H new ATOM 398 N LEU A 26 -4.839 7.050 -6.281 1.00 0.00 N ATOM 399 CA LEU A 26 -5.194 6.515 -4.976 1.00 0.00 C ATOM 400 C LEU A 26 -6.700 6.580 -4.752 1.00 0.00 C ATOM 401 O LEU A 26 -7.349 7.548 -5.155 1.00 0.00 O ATOM 402 CB LEU A 26 -4.483 7.307 -3.877 1.00 0.00 C ATOM 403 CG LEU A 26 -2.961 7.357 -3.995 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.393 8.370 -3.021 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.356 5.984 -3.745 1.00 0.00 C ATOM 0 H LEU A 26 -4.325 7.930 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.880 5.472 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.866 8.328 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.743 6.873 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.704 7.663 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.307 8.396 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.800 9.356 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.662 8.087 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.271 6.043 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.620 5.647 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.743 5.277 -4.479 1.00 0.00 H new ATOM 417 N PRO A 27 -7.284 5.535 -4.143 1.00 0.00 N ATOM 418 CA PRO A 27 -8.679 5.561 -3.697 1.00 0.00 C ATOM 419 C PRO A 27 -8.898 6.603 -2.597 1.00 0.00 C ATOM 420 O PRO A 27 -8.339 6.487 -1.505 1.00 0.00 O ATOM 421 CB PRO A 27 -8.918 4.149 -3.147 1.00 0.00 C ATOM 422 CG PRO A 27 -7.823 3.314 -3.710 1.00 0.00 C ATOM 423 CD PRO A 27 -6.646 4.235 -3.867 1.00 0.00 C ATOM 0 HA PRO A 27 -9.361 5.830 -4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.896 4.143 -2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.895 3.770 -3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.584 2.483 -3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.113 2.883 -4.668 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.035 4.268 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.994 3.923 -4.683 1.00 0.00 H new ATOM 431 N PRO A 28 -9.704 7.641 -2.874 1.00 0.00 N ATOM 432 CA PRO A 28 -9.967 8.728 -1.925 1.00 0.00 C ATOM 433 C PRO A 28 -10.891 8.291 -0.792 1.00 0.00 C ATOM 434 O PRO A 28 -12.017 8.781 -0.676 1.00 0.00 O ATOM 435 CB PRO A 28 -10.652 9.809 -2.777 1.00 0.00 C ATOM 436 CG PRO A 28 -10.541 9.343 -4.193 1.00 0.00 C ATOM 437 CD PRO A 28 -10.414 7.850 -4.137 1.00 0.00 C ATOM 0 HA PRO A 28 -9.051 9.069 -1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.695 9.933 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.168 10.776 -2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.419 9.637 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.675 9.789 -4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.387 7.359 -4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.855 7.458 -4.987 1.00 0.00 H new ATOM 445 N ALA A 29 -10.407 7.346 0.016 1.00 0.00 N ATOM 446 CA ALA A 29 -11.131 6.817 1.177 1.00 0.00 C ATOM 447 C ALA A 29 -12.317 5.945 0.761 1.00 0.00 C ATOM 448 O ALA A 29 -12.432 4.801 1.192 1.00 0.00 O ATOM 449 CB ALA A 29 -11.585 7.938 2.105 1.00 0.00 C ATOM 0 H ALA A 29 -9.490 6.920 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.433 6.184 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.118 7.513 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.715 8.490 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.246 8.614 1.563 1.00 0.00 H new ATOM 455 N ASN A 30 -13.194 6.486 -0.071 1.00 0.00 N ATOM 456 CA ASN A 30 -14.364 5.751 -0.527 1.00 0.00 C ATOM 457 C ASN A 30 -14.137 5.134 -1.909 1.00 0.00 C ATOM 458 O ASN A 30 -14.543 4.003 -2.144 1.00 0.00 O ATOM 459 CB ASN A 30 -15.618 6.645 -0.520 1.00 0.00 C ATOM 460 CG ASN A 30 -15.416 8.014 -1.162 1.00 0.00 C ATOM 461 OD1 ASN A 30 -14.616 8.186 -2.080 1.00 0.00 O ATOM 462 ND2 ASN A 30 -16.152 9.002 -0.674 1.00 0.00 N ATOM 0 H ASN A 30 -13.118 7.432 -0.444 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.530 4.933 0.174 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -16.422 6.127 -1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.945 6.784 0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.065 9.942 -1.061 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.806 8.823 0.088 1.00 0.00 H new ATOM 469 N THR A 31 -13.522 5.903 -2.816 1.00 0.00 N ATOM 470 CA THR A 31 -13.171 5.458 -4.181 1.00 0.00 C ATOM 471 C THR A 31 -14.407 5.081 -5.015 1.00 0.00 C ATOM 472 O THR A 31 -14.291 4.749 -6.197 1.00 0.00 O ATOM 473 CB THR A 31 -12.135 4.297 -4.167 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.263 4.410 -5.300 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.786 2.922 -4.191 1.00 0.00 C ATOM 0 H THR A 31 -13.248 6.867 -2.625 1.00 0.00 H new ATOM 0 HA THR A 31 -12.705 6.316 -4.666 1.00 0.00 H new ATOM 0 HB THR A 31 -11.579 4.387 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.795 4.566 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.013 2.153 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 31 -13.425 2.807 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.387 2.820 -5.095 1.00 0.00 H new ATOM 483 N ARG A 32 -15.581 5.162 -4.385 1.00 0.00 N ATOM 484 CA ARG A 32 -16.882 4.920 -5.019 1.00 0.00 C ATOM 485 C ARG A 32 -17.128 3.431 -5.301 1.00 0.00 C ATOM 486 O ARG A 32 -18.266 2.962 -5.217 1.00 0.00 O ATOM 487 CB ARG A 32 -17.054 5.762 -6.290 1.00 0.00 C ATOM 488 CG ARG A 32 -16.806 7.248 -6.057 1.00 0.00 C ATOM 489 CD ARG A 32 -17.354 8.105 -7.185 1.00 0.00 C ATOM 490 NE ARG A 32 -18.811 8.211 -7.132 1.00 0.00 N ATOM 491 CZ ARG A 32 -19.467 9.351 -6.890 1.00 0.00 C ATOM 492 NH1 ARG A 32 -18.799 10.486 -6.705 1.00 0.00 N ATOM 493 NH2 ARG A 32 -20.791 9.357 -6.842 1.00 0.00 N ATOM 0 H ARG A 32 -15.657 5.403 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.640 5.236 -4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.367 5.400 -7.055 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.064 5.624 -6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.268 7.549 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.735 7.424 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.915 9.101 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.056 7.678 -8.143 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.360 7.366 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.780 10.491 -6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.306 11.352 -6.521 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.311 8.492 -6.990 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.291 10.227 -6.657 1.00 0.00 H new ATOM 507 N ARG A 33 -16.075 2.693 -5.634 1.00 0.00 N ATOM 508 CA ARG A 33 -16.177 1.249 -5.818 1.00 0.00 C ATOM 509 C ARG A 33 -14.835 0.573 -5.562 1.00 0.00 C ATOM 510 O ARG A 33 -13.874 0.770 -6.309 1.00 0.00 O ATOM 511 CB ARG A 33 -16.665 0.900 -7.224 1.00 0.00 C ATOM 512 CG ARG A 33 -16.840 -0.594 -7.436 1.00 0.00 C ATOM 513 CD ARG A 33 -17.344 -0.910 -8.831 1.00 0.00 C ATOM 514 NE ARG A 33 -17.596 -2.341 -9.009 1.00 0.00 N ATOM 515 CZ ARG A 33 -18.435 -2.843 -9.916 1.00 0.00 C ATOM 516 NH1 ARG A 33 -19.133 -2.032 -10.702 1.00 0.00 N ATOM 517 NH2 ARG A 33 -18.590 -4.157 -10.032 1.00 0.00 N ATOM 0 H ARG A 33 -15.139 3.071 -5.782 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.906 0.882 -5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.615 1.402 -7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.954 1.285 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.888 -1.098 -7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.541 -0.986 -6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.262 -0.353 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.612 -0.576 -9.566 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.100 -2.994 -8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.029 -1.021 -10.613 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -19.774 -2.420 -11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -18.066 -4.788 -9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.233 -4.535 -10.727 1.00 0.00 H new ATOM 531 N TRP A 34 -14.779 -0.222 -4.505 1.00 0.00 N ATOM 532 CA TRP A 34 -13.570 -0.955 -4.153 1.00 0.00 C ATOM 533 C TRP A 34 -13.510 -2.285 -4.894 1.00 0.00 C ATOM 534 O TRP A 34 -14.453 -3.076 -4.853 1.00 0.00 O ATOM 535 CB TRP A 34 -13.512 -1.231 -2.646 1.00 0.00 C ATOM 536 CG TRP A 34 -13.198 -0.027 -1.818 1.00 0.00 C ATOM 537 CD1 TRP A 34 -14.089 0.788 -1.185 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.897 0.489 -1.521 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.421 1.783 -0.514 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.074 1.622 -0.706 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.598 0.101 -1.867 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.001 2.372 -0.234 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.535 0.848 -1.396 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.742 1.970 -0.586 1.00 0.00 C ATOM 0 H TRP A 34 -15.563 -0.378 -3.871 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.721 -0.335 -4.441 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.470 -1.640 -2.325 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.759 -1.996 -2.456 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.162 0.669 -1.208 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -13.857 2.522 0.038 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.429 -0.765 -2.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.157 3.241 0.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.527 0.561 -1.658 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.890 2.530 -0.231 1.00 0.00 H new ATOM 555 N VAL A 35 -12.406 -2.510 -5.584 1.00 0.00 N ATOM 556 CA VAL A 35 -12.117 -3.808 -6.174 1.00 0.00 C ATOM 557 C VAL A 35 -10.786 -4.313 -5.626 1.00 0.00 C ATOM 558 O VAL A 35 -10.090 -3.573 -4.923 1.00 0.00 O ATOM 559 CB VAL A 35 -12.071 -3.757 -7.720 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.443 -3.420 -8.288 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.034 -2.758 -8.211 1.00 0.00 C ATOM 0 H VAL A 35 -11.688 -1.805 -5.751 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.924 -4.490 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.780 -4.746 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.389 -3.389 -9.376 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.161 -4.181 -7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.763 -2.448 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.027 -2.747 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.282 -1.764 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.049 -3.047 -7.845 1.00 0.00 H new ATOM 571 N ALA A 36 -10.433 -5.554 -5.934 1.00 0.00 N ATOM 572 CA ALA A 36 -9.210 -6.151 -5.406 1.00 0.00 C ATOM 573 C ALA A 36 -7.982 -5.320 -5.767 1.00 0.00 C ATOM 574 O ALA A 36 -7.165 -4.999 -4.901 1.00 0.00 O ATOM 575 CB ALA A 36 -9.052 -7.576 -5.908 1.00 0.00 C ATOM 0 H ALA A 36 -10.973 -6.167 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.293 -6.169 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.135 -8.005 -5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.905 -8.173 -5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.003 -7.575 -6.997 1.00 0.00 H new ATOM 581 N SER A 37 -7.870 -4.946 -7.037 1.00 0.00 N ATOM 582 CA SER A 37 -6.721 -4.180 -7.505 1.00 0.00 C ATOM 583 C SER A 37 -6.676 -2.790 -6.872 1.00 0.00 C ATOM 584 O SER A 37 -5.599 -2.229 -6.684 1.00 0.00 O ATOM 585 CB SER A 37 -6.734 -4.078 -9.031 1.00 0.00 C ATOM 586 OG SER A 37 -7.987 -3.613 -9.508 1.00 0.00 O ATOM 0 H SER A 37 -8.558 -5.160 -7.759 1.00 0.00 H new ATOM 0 HA SER A 37 -5.820 -4.710 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.944 -3.402 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.518 -5.054 -9.464 1.00 0.00 H new ATOM 0 HG SER A 37 -7.964 -3.557 -10.486 1.00 0.00 H new ATOM 592 N ARG A 38 -7.845 -2.245 -6.531 1.00 0.00 N ATOM 593 CA ARG A 38 -7.915 -0.964 -5.831 1.00 0.00 C ATOM 594 C ARG A 38 -7.220 -1.069 -4.486 1.00 0.00 C ATOM 595 O ARG A 38 -6.449 -0.194 -4.110 1.00 0.00 O ATOM 596 CB ARG A 38 -9.369 -0.521 -5.625 1.00 0.00 C ATOM 597 CG ARG A 38 -9.961 0.247 -6.797 1.00 0.00 C ATOM 598 CD ARG A 38 -9.399 1.656 -6.883 1.00 0.00 C ATOM 599 NE ARG A 38 -9.869 2.362 -8.072 1.00 0.00 N ATOM 600 CZ ARG A 38 -9.548 3.622 -8.361 1.00 0.00 C ATOM 601 NH1 ARG A 38 -8.759 4.315 -7.545 1.00 0.00 N ATOM 602 NH2 ARG A 38 -10.019 4.190 -9.461 1.00 0.00 N ATOM 0 H ARG A 38 -8.751 -2.669 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.413 -0.218 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.982 -1.402 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.424 0.102 -4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.752 -0.286 -7.725 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.045 0.293 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.686 2.215 -5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.310 1.612 -6.895 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.478 1.861 -8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.398 3.882 -6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.515 5.280 -7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.628 3.663 -10.087 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.773 5.155 -9.682 1.00 0.00 H new ATOM 616 N LYS A 39 -7.484 -2.162 -3.783 1.00 0.00 N ATOM 617 CA LYS A 39 -6.913 -2.389 -2.464 1.00 0.00 C ATOM 618 C LYS A 39 -5.400 -2.595 -2.549 1.00 0.00 C ATOM 619 O LYS A 39 -4.628 -1.969 -1.813 1.00 0.00 O ATOM 620 CB LYS A 39 -7.588 -3.600 -1.820 1.00 0.00 C ATOM 621 CG LYS A 39 -9.067 -3.383 -1.534 1.00 0.00 C ATOM 622 CD LYS A 39 -9.710 -4.610 -0.910 1.00 0.00 C ATOM 623 CE LYS A 39 -11.067 -4.284 -0.310 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.682 -5.470 0.346 1.00 0.00 N ATOM 0 H LYS A 39 -8.095 -2.911 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.090 -1.509 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.475 -4.462 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.076 -3.840 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.186 -2.531 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.583 -3.135 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.823 -5.387 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.056 -5.011 -0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.958 -3.481 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.731 -3.916 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.628 -5.636 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.085 -6.306 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.764 -5.298 1.368 1.00 0.00 H new ATOM 638 N ILE A 40 -4.985 -3.456 -3.471 1.00 0.00 N ATOM 639 CA ILE A 40 -3.571 -3.733 -3.694 1.00 0.00 C ATOM 640 C ILE A 40 -2.836 -2.467 -4.149 1.00 0.00 C ATOM 641 O ILE A 40 -1.637 -2.295 -3.900 1.00 0.00 O ATOM 642 CB ILE A 40 -3.388 -4.855 -4.744 1.00 0.00 C ATOM 643 CG1 ILE A 40 -4.189 -6.097 -4.340 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.919 -5.208 -4.916 1.00 0.00 C ATOM 645 CD1 ILE A 40 -3.825 -6.652 -2.978 1.00 0.00 C ATOM 0 H ILE A 40 -5.614 -3.978 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.143 -4.067 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.763 -4.489 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.251 -5.850 -4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.037 -6.874 -5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.819 -5.999 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.370 -4.327 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.514 -5.552 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.437 -7.529 -2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.772 -6.933 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.004 -5.893 -2.216 1.00 0.00 H new ATOM 657 N ALA A 41 -3.567 -1.575 -4.802 1.00 0.00 N ATOM 658 CA ALA A 41 -3.011 -0.303 -5.239 1.00 0.00 C ATOM 659 C ALA A 41 -2.761 0.625 -4.055 1.00 0.00 C ATOM 660 O ALA A 41 -1.854 1.451 -4.093 1.00 0.00 O ATOM 661 CB ALA A 41 -3.933 0.368 -6.243 1.00 0.00 C ATOM 0 H ALA A 41 -4.549 -1.710 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.055 -0.507 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.499 1.317 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.058 -0.279 -7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.904 0.548 -5.782 1.00 0.00 H new ATOM 667 N VAL A 42 -3.558 0.480 -3.001 1.00 0.00 N ATOM 668 CA VAL A 42 -3.412 1.333 -1.824 1.00 0.00 C ATOM 669 C VAL A 42 -2.123 0.994 -1.088 1.00 0.00 C ATOM 670 O VAL A 42 -1.308 1.877 -0.824 1.00 0.00 O ATOM 671 CB VAL A 42 -4.597 1.211 -0.839 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.549 2.325 0.195 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.921 1.239 -1.572 1.00 0.00 C ATOM 0 H VAL A 42 -4.304 -0.212 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.389 2.360 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.509 0.252 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.391 2.223 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.616 2.262 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.605 3.291 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.736 1.151 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.016 2.179 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.966 0.407 -2.275 1.00 0.00 H new ATOM 683 N VAL A 43 -1.937 -0.291 -0.777 1.00 0.00 N ATOM 684 CA VAL A 43 -0.732 -0.738 -0.070 1.00 0.00 C ATOM 685 C VAL A 43 0.538 -0.339 -0.818 1.00 0.00 C ATOM 686 O VAL A 43 1.417 0.311 -0.258 1.00 0.00 O ATOM 687 CB VAL A 43 -0.706 -2.267 0.177 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.065 -2.581 1.616 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.643 -3.000 -0.769 1.00 0.00 C ATOM 0 H VAL A 43 -2.598 -1.035 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.764 -0.237 0.897 1.00 0.00 H new ATOM 0 HB VAL A 43 0.309 -2.614 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.041 -3.660 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.347 -2.104 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.065 -2.206 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.599 -4.070 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.662 -2.644 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.340 -2.812 -1.799 1.00 0.00 H new ATOM 699 N ARG A 44 0.625 -0.712 -2.090 1.00 0.00 N ATOM 700 CA ARG A 44 1.807 -0.407 -2.891 1.00 0.00 C ATOM 701 C ARG A 44 1.940 1.094 -3.119 1.00 0.00 C ATOM 702 O ARG A 44 3.046 1.616 -3.228 1.00 0.00 O ATOM 703 CB ARG A 44 1.745 -1.137 -4.230 1.00 0.00 C ATOM 704 CG ARG A 44 1.749 -2.650 -4.097 1.00 0.00 C ATOM 705 CD ARG A 44 1.645 -3.322 -5.453 1.00 0.00 C ATOM 706 NE ARG A 44 0.420 -2.939 -6.150 1.00 0.00 N ATOM 707 CZ ARG A 44 -0.066 -3.576 -7.213 1.00 0.00 C ATOM 708 NH1 ARG A 44 0.600 -4.595 -7.750 1.00 0.00 N ATOM 709 NH2 ARG A 44 -1.217 -3.186 -7.744 1.00 0.00 N ATOM 0 H ARG A 44 -0.104 -1.223 -2.587 1.00 0.00 H new ATOM 0 HA ARG A 44 2.684 -0.749 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.844 -0.829 -4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.595 -0.832 -4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.664 -2.971 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.916 -2.964 -3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.509 -3.053 -6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.669 -4.404 -5.326 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.096 -2.132 -5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.489 -4.892 -7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.222 -5.079 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.726 -2.401 -7.338 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.593 -3.671 -8.559 1.00 0.00 H new ATOM 723 N GLY A 45 0.810 1.784 -3.179 1.00 0.00 N ATOM 724 CA GLY A 45 0.825 3.216 -3.397 1.00 0.00 C ATOM 725 C GLY A 45 1.442 3.975 -2.237 1.00 0.00 C ATOM 726 O GLY A 45 2.248 4.880 -2.442 1.00 0.00 O ATOM 0 H GLY A 45 -0.120 1.376 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.382 3.436 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.195 3.567 -3.555 1.00 0.00 H new ATOM 730 N VAL A 46 1.074 3.603 -1.018 1.00 0.00 N ATOM 731 CA VAL A 46 1.580 4.292 0.161 1.00 0.00 C ATOM 732 C VAL A 46 2.979 3.806 0.542 1.00 0.00 C ATOM 733 O VAL A 46 3.880 4.616 0.739 1.00 0.00 O ATOM 734 CB VAL A 46 0.622 4.161 1.377 1.00 0.00 C ATOM 735 CG1 VAL A 46 -0.704 4.844 1.084 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.390 2.705 1.759 1.00 0.00 C ATOM 0 H VAL A 46 0.433 2.835 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 46 1.639 5.347 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 46 1.099 4.655 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.364 4.743 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.532 5.901 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.169 4.378 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.285 2.656 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.052 2.174 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.341 2.242 2.021 1.00 0.00 H new ATOM 746 N ILE A 47 3.161 2.489 0.588 1.00 0.00 N ATOM 747 CA ILE A 47 4.400 1.885 1.072 1.00 0.00 C ATOM 748 C ILE A 47 5.576 2.153 0.132 1.00 0.00 C ATOM 749 O ILE A 47 6.704 2.367 0.576 1.00 0.00 O ATOM 750 CB ILE A 47 4.224 0.357 1.264 1.00 0.00 C ATOM 751 CG1 ILE A 47 3.186 0.080 2.355 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.547 -0.317 1.605 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.878 -1.389 2.543 1.00 0.00 C ATOM 0 H ILE A 47 2.457 1.812 0.292 1.00 0.00 H new ATOM 0 HA ILE A 47 4.625 2.349 2.032 1.00 0.00 H new ATOM 0 HB ILE A 47 3.872 -0.063 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.546 0.490 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.264 0.607 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.388 -1.388 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.259 -0.150 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.942 0.104 2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.135 -1.507 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.488 -1.801 1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.789 -1.919 2.821 1.00 0.00 H new ATOM 765 N TYR A 48 5.312 2.143 -1.166 1.00 0.00 N ATOM 766 CA TYR A 48 6.371 2.318 -2.152 1.00 0.00 C ATOM 767 C TYR A 48 6.502 3.784 -2.553 1.00 0.00 C ATOM 768 O TYR A 48 7.594 4.261 -2.850 1.00 0.00 O ATOM 769 CB TYR A 48 6.080 1.457 -3.390 1.00 0.00 C ATOM 770 CG TYR A 48 7.245 1.315 -4.347 1.00 0.00 C ATOM 771 CD1 TYR A 48 7.535 2.300 -5.283 1.00 0.00 C ATOM 772 CD2 TYR A 48 8.045 0.184 -4.317 1.00 0.00 C ATOM 773 CE1 TYR A 48 8.597 2.165 -6.158 1.00 0.00 C ATOM 774 CE2 TYR A 48 9.110 0.040 -5.187 1.00 0.00 C ATOM 775 CZ TYR A 48 9.383 1.033 -6.107 1.00 0.00 C ATOM 776 OH TYR A 48 10.441 0.891 -6.980 1.00 0.00 O ATOM 0 H TYR A 48 4.380 2.016 -1.561 1.00 0.00 H new ATOM 0 HA TYR A 48 7.314 2.000 -1.706 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.773 0.464 -3.062 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.236 1.890 -3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.920 3.187 -5.328 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.833 -0.598 -3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 48 8.810 2.942 -6.877 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.726 -0.846 -5.147 1.00 0.00 H new ATOM 0 HH TYR A 48 10.893 0.038 -6.811 1.00 0.00 H new ATOM 786 N GLY A 49 5.383 4.493 -2.549 1.00 0.00 N ATOM 787 CA GLY A 49 5.364 5.831 -3.099 1.00 0.00 C ATOM 788 C GLY A 49 5.412 6.947 -2.070 1.00 0.00 C ATOM 789 O GLY A 49 6.294 7.807 -2.126 1.00 0.00 O ATOM 0 H GLY A 49 4.491 4.167 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.212 5.943 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.462 5.949 -3.699 1.00 0.00 H new ATOM 793 N LEU A 50 4.472 6.947 -1.129 1.00 0.00 N ATOM 794 CA LEU A 50 4.233 8.139 -0.320 1.00 0.00 C ATOM 795 C LEU A 50 4.763 8.049 1.110 1.00 0.00 C ATOM 796 O LEU A 50 5.794 8.637 1.429 1.00 0.00 O ATOM 797 CB LEU A 50 2.739 8.458 -0.287 1.00 0.00 C ATOM 798 CG LEU A 50 2.111 8.772 -1.645 1.00 0.00 C ATOM 799 CD1 LEU A 50 0.629 9.060 -1.490 1.00 0.00 C ATOM 800 CD2 LEU A 50 2.814 9.947 -2.311 1.00 0.00 C ATOM 0 H LEU A 50 3.873 6.151 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 50 4.794 8.939 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.212 7.611 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.580 9.309 0.375 1.00 0.00 H new ATOM 0 HG LEU A 50 2.231 7.898 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.197 9.282 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.132 8.189 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.492 9.916 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.349 10.150 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.731 10.828 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.866 9.705 -2.460 1.00 0.00 H new ATOM 812 N ILE A 51 4.058 7.320 1.968 1.00 0.00 N ATOM 813 CA ILE A 51 4.284 7.424 3.410 1.00 0.00 C ATOM 814 C ILE A 51 4.143 6.087 4.129 1.00 0.00 C ATOM 815 O ILE A 51 3.920 5.052 3.508 1.00 0.00 O ATOM 816 CB ILE A 51 3.321 8.451 4.062 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.930 8.427 3.404 1.00 0.00 C ATOM 818 CG2 ILE A 51 3.912 9.850 4.005 1.00 0.00 C ATOM 819 CD1 ILE A 51 1.136 7.165 3.658 1.00 0.00 C ATOM 0 H ILE A 51 3.332 6.657 1.697 1.00 0.00 H new ATOM 0 HA ILE A 51 5.314 7.764 3.521 1.00 0.00 H new ATOM 0 HB ILE A 51 3.196 8.164 5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.357 9.281 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.049 8.556 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.222 10.556 4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.861 9.866 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.078 10.133 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.170 7.236 3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.684 6.306 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.981 7.042 4.730 1.00 0.00 H new ATOM 831 N THR A 52 4.252 6.133 5.452 1.00 0.00 N ATOM 832 CA THR A 52 4.180 4.936 6.272 1.00 0.00 C ATOM 833 C THR A 52 2.731 4.551 6.563 1.00 0.00 C ATOM 834 O THR A 52 1.796 5.257 6.171 1.00 0.00 O ATOM 835 CB THR A 52 4.929 5.139 7.601 1.00 0.00 C ATOM 836 OG1 THR A 52 4.430 6.302 8.276 1.00 0.00 O ATOM 837 CG2 THR A 52 6.423 5.288 7.363 1.00 0.00 C ATOM 0 H THR A 52 4.392 6.995 5.980 1.00 0.00 H new ATOM 0 HA THR A 52 4.653 4.130 5.711 1.00 0.00 H new ATOM 0 HB THR A 52 4.761 4.260 8.223 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.912 6.422 9.121 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.931 5.430 8.317 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.806 4.390 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.605 6.151 6.723 1.00 0.00 H new ATOM 845 N LEU A 53 2.552 3.442 7.272 1.00 0.00 N ATOM 846 CA LEU A 53 1.230 2.929 7.594 1.00 0.00 C ATOM 847 C LEU A 53 0.431 3.922 8.438 1.00 0.00 C ATOM 848 O LEU A 53 -0.794 3.968 8.356 1.00 0.00 O ATOM 849 CB LEU A 53 1.354 1.595 8.335 1.00 0.00 C ATOM 850 CG LEU A 53 0.033 0.962 8.777 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.871 0.729 7.578 1.00 0.00 C ATOM 852 CD2 LEU A 53 0.284 -0.340 9.522 1.00 0.00 C ATOM 0 H LEU A 53 3.318 2.876 7.638 1.00 0.00 H new ATOM 0 HA LEU A 53 0.693 2.778 6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.878 0.889 7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.978 1.745 9.216 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.468 1.651 9.457 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.806 0.278 7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.080 1.681 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.376 0.061 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.668 -0.774 9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.808 -1.038 8.869 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.893 -0.143 10.404 1.00 0.00 H new ATOM 864 N ALA A 54 1.127 4.720 9.237 1.00 0.00 N ATOM 865 CA ALA A 54 0.470 5.673 10.126 1.00 0.00 C ATOM 866 C ALA A 54 -0.370 6.677 9.343 1.00 0.00 C ATOM 867 O ALA A 54 -1.572 6.811 9.577 1.00 0.00 O ATOM 868 CB ALA A 54 1.502 6.397 10.981 1.00 0.00 C ATOM 0 H ALA A 54 2.146 4.727 9.289 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.201 5.114 10.778 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.998 7.105 11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.051 5.671 11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.197 6.934 10.336 1.00 0.00 H new ATOM 874 N GLU A 55 0.265 7.360 8.400 1.00 0.00 N ATOM 875 CA GLU A 55 -0.409 8.366 7.592 1.00 0.00 C ATOM 876 C GLU A 55 -1.483 7.710 6.720 1.00 0.00 C ATOM 877 O GLU A 55 -2.598 8.222 6.588 1.00 0.00 O ATOM 878 CB GLU A 55 0.617 9.091 6.720 1.00 0.00 C ATOM 879 CG GLU A 55 0.101 10.370 6.085 1.00 0.00 C ATOM 880 CD GLU A 55 -0.267 11.420 7.111 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.487 11.584 8.098 1.00 0.00 O ATOM 882 OE2 GLU A 55 -1.297 12.104 6.926 1.00 0.00 O ATOM 0 H GLU A 55 1.252 7.234 8.175 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.894 9.090 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.491 9.327 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.949 8.416 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.862 10.772 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.773 10.142 5.474 1.00 0.00 H new ATOM 889 N ALA A 56 -1.136 6.563 6.144 1.00 0.00 N ATOM 890 CA ALA A 56 -2.071 5.779 5.339 1.00 0.00 C ATOM 891 C ALA A 56 -3.278 5.338 6.142 1.00 0.00 C ATOM 892 O ALA A 56 -4.332 5.147 5.577 1.00 0.00 O ATOM 893 CB ALA A 56 -1.372 4.568 4.743 1.00 0.00 C ATOM 0 H ALA A 56 -0.206 6.152 6.220 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.425 6.423 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.082 3.995 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.549 4.898 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.983 3.941 5.545 1.00 0.00 H new ATOM 899 N LYS A 57 -3.145 5.180 7.447 1.00 0.00 N ATOM 900 CA LYS A 57 -4.300 4.806 8.248 1.00 0.00 C ATOM 901 C LYS A 57 -5.137 6.025 8.619 1.00 0.00 C ATOM 902 O LYS A 57 -6.361 5.943 8.699 1.00 0.00 O ATOM 903 CB LYS A 57 -3.906 4.002 9.488 1.00 0.00 C ATOM 904 CG LYS A 57 -3.583 2.552 9.158 1.00 0.00 C ATOM 905 CD LYS A 57 -3.770 1.632 10.353 1.00 0.00 C ATOM 906 CE LYS A 57 -2.627 1.735 11.347 1.00 0.00 C ATOM 907 NZ LYS A 57 -2.785 0.765 12.460 1.00 0.00 N ATOM 0 H LYS A 57 -2.275 5.300 7.965 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.917 4.154 7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.040 4.467 9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.719 4.035 10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.222 2.217 8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.554 2.483 8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.707 1.877 10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.854 0.602 10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.682 1.553 10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.583 2.747 11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.907 0.728 13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.570 1.064 13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.989 -0.178 12.072 1.00 0.00 H new ATOM 921 N GLN A 58 -4.486 7.160 8.810 1.00 0.00 N ATOM 922 CA GLN A 58 -5.200 8.393 9.115 1.00 0.00 C ATOM 923 C GLN A 58 -6.069 8.822 7.936 1.00 0.00 C ATOM 924 O GLN A 58 -7.198 9.277 8.116 1.00 0.00 O ATOM 925 CB GLN A 58 -4.221 9.506 9.474 1.00 0.00 C ATOM 926 CG GLN A 58 -3.415 9.215 10.723 1.00 0.00 C ATOM 927 CD GLN A 58 -2.421 10.308 11.039 1.00 0.00 C ATOM 928 OE1 GLN A 58 -2.649 11.482 10.738 1.00 0.00 O ATOM 929 NE2 GLN A 58 -1.305 9.931 11.640 1.00 0.00 N ATOM 0 H GLN A 58 -3.472 7.256 8.760 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.846 8.204 9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.539 9.664 8.639 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.773 10.435 9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.093 9.090 11.568 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.884 8.271 10.597 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.157 8.949 11.871 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.592 10.623 11.872 1.00 0.00 H new ATOM 938 N THR A 59 -5.546 8.663 6.728 1.00 0.00 N ATOM 939 CA THR A 59 -6.283 9.042 5.534 1.00 0.00 C ATOM 940 C THR A 59 -6.993 7.839 4.904 1.00 0.00 C ATOM 941 O THR A 59 -8.205 7.865 4.686 1.00 0.00 O ATOM 942 CB THR A 59 -5.345 9.678 4.492 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.547 10.699 5.110 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.142 10.284 3.345 1.00 0.00 C ATOM 0 H THR A 59 -4.619 8.276 6.551 1.00 0.00 H new ATOM 0 HA THR A 59 -7.034 9.770 5.841 1.00 0.00 H new ATOM 0 HB THR A 59 -4.697 8.897 4.095 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.952 11.098 4.442 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.458 10.727 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.730 9.505 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.809 11.054 3.732 1.00 0.00 H new ATOM 952 N TYR A 60 -6.235 6.782 4.638 1.00 0.00 N ATOM 953 CA TYR A 60 -6.734 5.635 3.884 1.00 0.00 C ATOM 954 C TYR A 60 -6.983 4.434 4.797 1.00 0.00 C ATOM 955 O TYR A 60 -7.104 3.309 4.324 1.00 0.00 O ATOM 956 CB TYR A 60 -5.734 5.247 2.787 1.00 0.00 C ATOM 957 CG TYR A 60 -5.276 6.421 1.947 1.00 0.00 C ATOM 958 CD1 TYR A 60 -6.058 6.904 0.903 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.063 7.051 2.202 1.00 0.00 C ATOM 960 CE1 TYR A 60 -5.643 7.979 0.140 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.644 8.128 1.445 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.435 8.586 0.414 1.00 0.00 C ATOM 963 OH TYR A 60 -4.023 9.661 -0.340 1.00 0.00 O ATOM 0 H TYR A 60 -5.263 6.694 4.936 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.682 5.924 3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.864 4.779 3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.191 4.501 2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.004 6.432 0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.437 6.692 3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.262 8.342 -0.667 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.701 8.609 1.660 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.152 9.972 -0.017 1.00 0.00 H new ATOM 973 N GLY A 61 -7.054 4.690 6.101 1.00 0.00 N ATOM 974 CA GLY A 61 -6.996 3.626 7.086 1.00 0.00 C ATOM 975 C GLY A 61 -8.109 2.609 7.025 1.00 0.00 C ATOM 976 O GLY A 61 -7.910 1.495 7.498 1.00 0.00 O ATOM 0 H GLY A 61 -7.152 5.626 6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.046 3.104 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.995 4.076 8.079 1.00 0.00 H new ATOM 980 N LEU A 62 -9.263 2.995 6.463 1.00 0.00 N ATOM 981 CA LEU A 62 -10.467 2.139 6.407 1.00 0.00 C ATOM 982 C LEU A 62 -10.577 1.206 7.619 1.00 0.00 C ATOM 983 O LEU A 62 -11.070 1.605 8.677 1.00 0.00 O ATOM 984 CB LEU A 62 -10.557 1.348 5.083 1.00 0.00 C ATOM 985 CG LEU A 62 -9.265 1.221 4.264 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.376 0.103 4.785 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.588 0.992 2.801 1.00 0.00 C ATOM 0 H LEU A 62 -9.393 3.910 6.032 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.321 2.815 6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.915 0.344 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.312 1.821 4.455 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.717 2.158 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.472 0.045 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.106 0.306 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.912 -0.844 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.662 0.904 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.167 0.074 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.168 1.833 2.421 1.00 0.00 H new ATOM 999 N SER A 63 -10.105 -0.024 7.466 1.00 0.00 N ATOM 1000 CA SER A 63 -9.994 -0.950 8.576 1.00 0.00 C ATOM 1001 C SER A 63 -8.569 -1.497 8.633 1.00 0.00 C ATOM 1002 O SER A 63 -8.021 -1.904 7.610 1.00 0.00 O ATOM 1003 CB SER A 63 -11.000 -2.091 8.412 1.00 0.00 C ATOM 1004 OG SER A 63 -12.316 -1.591 8.225 1.00 0.00 O ATOM 0 H SER A 63 -9.791 -0.403 6.573 1.00 0.00 H new ATOM 0 HA SER A 63 -10.216 -0.431 9.508 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.718 -2.709 7.559 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.973 -2.733 9.293 1.00 0.00 H new ATOM 0 HG SER A 63 -12.939 -2.340 8.121 1.00 0.00 H new ATOM 1010 N ASP A 64 -7.962 -1.480 9.816 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.604 -2.008 9.989 1.00 0.00 C ATOM 1012 C ASP A 64 -6.560 -3.474 9.578 1.00 0.00 C ATOM 1013 O ASP A 64 -5.638 -3.915 8.893 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.149 -1.848 11.445 1.00 0.00 C ATOM 1015 CG ASP A 64 -4.730 -2.335 11.686 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -3.777 -1.546 11.491 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -4.557 -3.501 12.100 1.00 0.00 O ATOM 0 H ASP A 64 -8.383 -1.109 10.668 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.924 -1.443 9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.218 -0.797 11.727 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.830 -2.398 12.094 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.591 -4.212 9.987 1.00 0.00 N ATOM 1023 CA GLU A 65 -7.768 -5.606 9.592 1.00 0.00 C ATOM 1024 C GLU A 65 -7.716 -5.735 8.067 1.00 0.00 C ATOM 1025 O GLU A 65 -7.062 -6.629 7.522 1.00 0.00 O ATOM 1026 CB GLU A 65 -9.117 -6.153 10.092 1.00 0.00 C ATOM 1027 CG GLU A 65 -9.414 -5.893 11.565 1.00 0.00 C ATOM 1028 CD GLU A 65 -9.820 -4.456 11.851 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -10.964 -4.075 11.528 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -8.991 -3.699 12.390 1.00 0.00 O ATOM 0 H GLU A 65 -8.326 -3.860 10.601 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.960 -6.184 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.914 -5.713 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.143 -7.228 9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.212 -6.561 11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.531 -6.138 12.156 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.405 -4.817 7.394 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.474 -4.795 5.937 1.00 0.00 C ATOM 1039 C GLU A 66 -7.082 -4.601 5.340 1.00 0.00 C ATOM 1040 O GLU A 66 -6.647 -5.376 4.492 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.404 -3.662 5.482 1.00 0.00 C ATOM 1042 CG GLU A 66 -9.616 -3.591 3.978 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.348 -4.795 3.422 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -9.740 -5.880 3.331 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -11.529 -4.657 3.051 1.00 0.00 O ATOM 0 H GLU A 66 -8.931 -4.068 7.844 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.870 -5.749 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.372 -3.785 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.994 -2.712 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.179 -2.689 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.648 -3.502 3.485 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.378 -3.579 5.818 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.052 -3.246 5.302 1.00 0.00 C ATOM 1054 C PHE A 67 -4.100 -4.437 5.444 1.00 0.00 C ATOM 1055 O PHE A 67 -3.364 -4.774 4.510 1.00 0.00 O ATOM 1056 CB PHE A 67 -4.493 -2.027 6.045 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.322 -1.375 5.361 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.045 -1.901 5.480 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -3.502 -0.235 4.596 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -0.971 -1.300 4.848 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -2.433 0.370 3.962 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.167 -0.163 4.089 1.00 0.00 C ATOM 0 H PHE A 67 -6.704 -2.965 6.564 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.142 -3.006 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.288 -1.290 6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.191 -2.332 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.887 -2.790 6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.491 0.187 4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.019 -1.719 4.948 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.589 1.259 3.368 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.330 0.308 3.595 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.131 -5.080 6.611 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.274 -6.238 6.879 1.00 0.00 C ATOM 1074 C ASN A 68 -3.643 -7.406 5.980 1.00 0.00 C ATOM 1075 O ASN A 68 -2.790 -8.223 5.631 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.368 -6.668 8.349 1.00 0.00 C ATOM 1077 CG ASN A 68 -2.938 -5.581 9.318 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -2.110 -4.728 8.997 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -3.493 -5.615 10.518 1.00 0.00 N ATOM 0 H ASN A 68 -4.740 -4.820 7.387 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.247 -5.939 6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.395 -6.958 8.571 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.747 -7.550 8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.239 -4.917 11.217 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.175 -6.339 10.744 1.00 0.00 H new ATOM 1086 N SER A 69 -4.909 -7.479 5.597 1.00 0.00 N ATOM 1087 CA SER A 69 -5.376 -8.529 4.706 1.00 0.00 C ATOM 1088 C SER A 69 -4.727 -8.395 3.331 1.00 0.00 C ATOM 1089 O SER A 69 -4.379 -9.395 2.704 1.00 0.00 O ATOM 1090 CB SER A 69 -6.903 -8.482 4.582 1.00 0.00 C ATOM 1091 OG SER A 69 -7.523 -8.671 5.845 1.00 0.00 O ATOM 0 H SER A 69 -5.632 -6.822 5.890 1.00 0.00 H new ATOM 0 HA SER A 69 -5.090 -9.492 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.208 -7.523 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.239 -9.253 3.889 1.00 0.00 H new ATOM 0 HG SER A 69 -7.564 -7.815 6.321 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.536 -7.157 2.883 1.00 0.00 N ATOM 1098 CA TRP A 70 -3.927 -6.901 1.584 1.00 0.00 C ATOM 1099 C TRP A 70 -2.491 -7.396 1.579 1.00 0.00 C ATOM 1100 O TRP A 70 -2.084 -8.146 0.695 1.00 0.00 O ATOM 1101 CB TRP A 70 -3.948 -5.407 1.253 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.301 -4.776 1.372 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.511 -5.404 1.374 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -5.576 -3.378 1.499 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.517 -4.485 1.517 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -6.971 -3.233 1.588 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -4.776 -2.237 1.552 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -7.580 -1.990 1.727 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.381 -1.005 1.687 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -6.770 -0.891 1.772 1.00 0.00 C ATOM 0 H TRP A 70 -4.794 -6.317 3.401 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.504 -7.434 0.829 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.257 -4.888 1.917 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.580 -5.265 0.237 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.655 -6.470 1.277 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.513 -4.700 1.563 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.701 -2.317 1.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.654 -1.897 1.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -4.771 -0.115 1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.214 0.088 1.876 1.00 0.00 H new ATOM 1121 N VAL A 71 -1.735 -6.979 2.587 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.342 -7.386 2.724 1.00 0.00 C ATOM 1123 C VAL A 71 -0.242 -8.902 2.846 1.00 0.00 C ATOM 1124 O VAL A 71 0.649 -9.527 2.273 1.00 0.00 O ATOM 1125 CB VAL A 71 0.321 -6.734 3.955 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.799 -7.081 4.017 1.00 0.00 C ATOM 1127 CG2 VAL A 71 0.124 -5.224 3.937 1.00 0.00 C ATOM 0 H VAL A 71 -2.065 -6.356 3.325 1.00 0.00 H new ATOM 0 HA VAL A 71 0.183 -7.052 1.829 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.160 -7.130 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.247 -6.611 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.916 -8.162 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.296 -6.719 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.599 -4.785 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.573 -4.809 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.942 -4.996 3.950 1.00 0.00 H new ATOM 1137 N SER A 72 -1.181 -9.485 3.579 1.00 0.00 N ATOM 1138 CA SER A 72 -1.233 -10.928 3.765 1.00 0.00 C ATOM 1139 C SER A 72 -1.464 -11.653 2.436 1.00 0.00 C ATOM 1140 O SER A 72 -0.898 -12.718 2.194 1.00 0.00 O ATOM 1141 CB SER A 72 -2.332 -11.270 4.772 1.00 0.00 C ATOM 1142 OG SER A 72 -1.990 -10.813 6.069 1.00 0.00 O ATOM 0 H SER A 72 -1.923 -8.975 4.058 1.00 0.00 H new ATOM 0 HA SER A 72 -0.273 -11.267 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.272 -10.816 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.490 -12.348 4.792 1.00 0.00 H new ATOM 0 HG SER A 72 -2.214 -9.862 6.151 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.280 -11.064 1.569 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.536 -11.642 0.258 1.00 0.00 C ATOM 1150 C ALA A 73 -1.347 -11.412 -0.669 1.00 0.00 C ATOM 1151 O ALA A 73 -1.069 -12.213 -1.561 1.00 0.00 O ATOM 1152 CB ALA A 73 -3.804 -11.058 -0.345 1.00 0.00 C ATOM 0 H ALA A 73 -2.773 -10.190 1.751 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.676 -12.716 0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.979 -11.502 -1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.650 -11.274 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.693 -9.979 -0.450 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.637 -10.318 -0.434 1.00 0.00 N ATOM 1159 CA LEU A 74 0.529 -9.968 -1.234 1.00 0.00 C ATOM 1160 C LEU A 74 1.759 -10.728 -0.757 1.00 0.00 C ATOM 1161 O LEU A 74 2.824 -10.666 -1.374 1.00 0.00 O ATOM 1162 CB LEU A 74 0.770 -8.464 -1.179 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.296 -7.637 -1.890 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.101 -6.158 -1.610 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.266 -7.916 -3.387 1.00 0.00 C ATOM 0 H LEU A 74 -0.850 -9.653 0.310 1.00 0.00 H new ATOM 0 HA LEU A 74 0.338 -10.253 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.820 -8.153 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.741 -8.246 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.275 -7.925 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.871 -5.585 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.173 -5.978 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.881 -5.847 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.032 -7.320 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.714 -7.654 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.459 -8.974 -3.564 1.00 0.00 H new ATOM 1177 N ALA A 75 1.600 -11.444 0.349 1.00 0.00 N ATOM 1178 CA ALA A 75 2.639 -12.339 0.838 1.00 0.00 C ATOM 1179 C ALA A 75 2.666 -13.614 0.003 1.00 0.00 C ATOM 1180 O ALA A 75 3.564 -14.447 0.154 1.00 0.00 O ATOM 1181 CB ALA A 75 2.414 -12.671 2.306 1.00 0.00 C ATOM 0 H ALA A 75 0.759 -11.421 0.925 1.00 0.00 H new ATOM 0 HA ALA A 75 3.602 -11.837 0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.201 -13.341 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.434 -11.753 2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.446 -13.157 2.425 1.00 0.00 H new ATOM 1187 N GLU A 76 1.653 -13.751 -0.864 1.00 0.00 N ATOM 1188 CA GLU A 76 1.535 -14.859 -1.814 1.00 0.00 C ATOM 1189 C GLU A 76 1.135 -16.157 -1.113 1.00 0.00 C ATOM 1190 O GLU A 76 0.099 -16.748 -1.421 1.00 0.00 O ATOM 1191 CB GLU A 76 2.840 -15.046 -2.601 1.00 0.00 C ATOM 1192 CG GLU A 76 2.716 -15.983 -3.793 1.00 0.00 C ATOM 1193 CD GLU A 76 1.797 -15.441 -4.868 1.00 0.00 C ATOM 1194 OE1 GLU A 76 2.219 -14.533 -5.612 1.00 0.00 O ATOM 1195 OE2 GLU A 76 0.648 -15.918 -4.973 1.00 0.00 O ATOM 0 H GLU A 76 0.883 -13.084 -0.924 1.00 0.00 H new ATOM 0 HA GLU A 76 0.743 -14.605 -2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.183 -14.073 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.606 -15.431 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.704 -16.156 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.342 -16.949 -3.454 1.00 0.00 H new ATOM 1202 N HIS A 77 1.951 -16.581 -0.163 1.00 0.00 N ATOM 1203 CA HIS A 77 1.730 -17.834 0.545 1.00 0.00 C ATOM 1204 C HIS A 77 2.377 -17.787 1.924 1.00 0.00 C ATOM 1205 O HIS A 77 3.539 -17.396 2.062 1.00 0.00 O ATOM 1206 CB HIS A 77 2.282 -19.020 -0.265 1.00 0.00 C ATOM 1207 CG HIS A 77 3.773 -18.995 -0.480 1.00 0.00 C ATOM 1208 ND1 HIS A 77 4.601 -20.040 -0.132 1.00 0.00 N ATOM 1209 CD2 HIS A 77 4.579 -18.050 -1.023 1.00 0.00 C ATOM 1210 CE1 HIS A 77 5.847 -19.738 -0.448 1.00 0.00 C ATOM 1211 NE2 HIS A 77 5.860 -18.535 -0.990 1.00 0.00 N ATOM 0 H HIS A 77 2.781 -16.071 0.139 1.00 0.00 H new ATOM 0 HA HIS A 77 0.656 -17.972 0.669 1.00 0.00 H new ATOM 0 HB2 HIS A 77 2.018 -19.946 0.246 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.789 -19.040 -1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.268 -17.091 -1.410 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.709 -20.369 -0.290 1.00 0.00 H new ATOM 0 HE2 HIS A 77 6.688 -18.046 -1.329 1.00 0.00 H new ATOM 1220 N GLY A 78 1.617 -18.171 2.943 1.00 0.00 N ATOM 1221 CA GLY A 78 2.146 -18.208 4.290 1.00 0.00 C ATOM 1222 C GLY A 78 3.172 -19.310 4.460 1.00 0.00 C ATOM 1223 O GLY A 78 2.926 -20.454 4.071 1.00 0.00 O ATOM 0 H GLY A 78 0.642 -18.458 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.602 -17.247 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.330 -18.358 4.997 1.00 0.00 H new ATOM 1227 N LYS A 79 4.318 -18.969 5.037 1.00 0.00 N ATOM 1228 CA LYS A 79 5.430 -19.906 5.157 1.00 0.00 C ATOM 1229 C LYS A 79 6.610 -19.247 5.856 1.00 0.00 C ATOM 1230 O LYS A 79 7.262 -19.855 6.703 1.00 0.00 O ATOM 1231 CB LYS A 79 5.874 -20.389 3.768 1.00 0.00 C ATOM 1232 CG LYS A 79 6.898 -21.512 3.801 1.00 0.00 C ATOM 1233 CD LYS A 79 6.342 -22.756 4.473 1.00 0.00 C ATOM 1234 CE LYS A 79 5.099 -23.263 3.765 1.00 0.00 C ATOM 1235 NZ LYS A 79 4.529 -24.460 4.429 1.00 0.00 N ATOM 0 H LYS A 79 4.503 -18.046 5.431 1.00 0.00 H new ATOM 0 HA LYS A 79 5.091 -20.758 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.998 -20.727 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.292 -19.546 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.206 -21.754 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.789 -21.178 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.102 -23.537 4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.104 -22.533 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.349 -22.472 3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.344 -23.505 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.682 -24.773 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.234 -25.224 4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.270 -24.224 5.408 1.00 0.00 H new ATOM 1249 N ASP A 80 6.867 -17.998 5.498 1.00 0.00 N ATOM 1250 CA ASP A 80 8.050 -17.293 5.972 1.00 0.00 C ATOM 1251 C ASP A 80 7.679 -15.910 6.498 1.00 0.00 C ATOM 1252 O ASP A 80 7.970 -15.577 7.648 1.00 0.00 O ATOM 1253 CB ASP A 80 9.060 -17.170 4.830 1.00 0.00 C ATOM 1254 CG ASP A 80 10.378 -16.566 5.263 1.00 0.00 C ATOM 1255 OD1 ASP A 80 10.467 -15.327 5.339 1.00 0.00 O ATOM 1256 OD2 ASP A 80 11.338 -17.334 5.502 1.00 0.00 O ATOM 0 H ASP A 80 6.270 -17.450 4.879 1.00 0.00 H new ATOM 0 HA ASP A 80 8.495 -17.859 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.242 -18.158 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.630 -16.558 4.037 1.00 0.00 H new ATOM 1261 N ALA A 81 7.063 -15.109 5.621 1.00 0.00 N ATOM 1262 CA ALA A 81 6.530 -13.782 5.964 1.00 0.00 C ATOM 1263 C ALA A 81 7.625 -12.719 6.081 1.00 0.00 C ATOM 1264 O ALA A 81 7.345 -11.521 6.005 1.00 0.00 O ATOM 1265 CB ALA A 81 5.692 -13.829 7.238 1.00 0.00 C ATOM 0 H ALA A 81 6.918 -15.364 4.644 1.00 0.00 H new ATOM 0 HA ALA A 81 5.884 -13.491 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.314 -12.831 7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.854 -14.512 7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.309 -14.178 8.066 1.00 0.00 H new ATOM 1271 N LEU A 82 8.865 -13.145 6.245 1.00 0.00 N ATOM 1272 CA LEU A 82 9.975 -12.211 6.372 1.00 0.00 C ATOM 1273 C LEU A 82 10.567 -11.897 5.006 1.00 0.00 C ATOM 1274 O LEU A 82 11.013 -10.780 4.750 1.00 0.00 O ATOM 1275 CB LEU A 82 11.051 -12.789 7.292 1.00 0.00 C ATOM 1276 CG LEU A 82 10.585 -13.098 8.712 1.00 0.00 C ATOM 1277 CD1 LEU A 82 11.731 -13.652 9.540 1.00 0.00 C ATOM 1278 CD2 LEU A 82 10.010 -11.853 9.368 1.00 0.00 C ATOM 0 H LEU A 82 9.131 -14.129 6.294 1.00 0.00 H new ATOM 0 HA LEU A 82 9.599 -11.286 6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.437 -13.705 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.881 -12.085 7.343 1.00 0.00 H new ATOM 0 HG LEU A 82 9.801 -13.853 8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.380 -13.866 10.549 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.101 -14.569 9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.536 -12.918 9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.683 -12.093 10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.774 -11.077 9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.160 -11.495 8.787 1.00 0.00 H new ATOM 1290 N LYS A 83 10.554 -12.893 4.134 1.00 0.00 N ATOM 1291 CA LYS A 83 11.074 -12.741 2.782 1.00 0.00 C ATOM 1292 C LYS A 83 10.034 -12.126 1.850 1.00 0.00 C ATOM 1293 O LYS A 83 10.227 -12.085 0.636 1.00 0.00 O ATOM 1294 CB LYS A 83 11.533 -14.097 2.245 1.00 0.00 C ATOM 1295 CG LYS A 83 12.683 -14.687 3.039 1.00 0.00 C ATOM 1296 CD LYS A 83 12.997 -16.110 2.617 1.00 0.00 C ATOM 1297 CE LYS A 83 14.111 -16.697 3.464 1.00 0.00 C ATOM 1298 NZ LYS A 83 13.818 -16.570 4.916 1.00 0.00 N ATOM 0 H LYS A 83 10.186 -13.822 4.340 1.00 0.00 H new ATOM 0 HA LYS A 83 11.926 -12.062 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.693 -14.792 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.836 -13.986 1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.569 -14.066 2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.436 -14.670 4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.102 -16.726 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.288 -16.126 1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.247 -17.748 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.049 -16.190 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.357 -17.287 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.091 -15.621 5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.801 -16.713 5.079 1.00 0.00 H new ATOM 1312 N VAL A 84 8.933 -11.650 2.414 1.00 0.00 N ATOM 1313 CA VAL A 84 7.931 -10.943 1.630 1.00 0.00 C ATOM 1314 C VAL A 84 8.502 -9.611 1.165 1.00 0.00 C ATOM 1315 O VAL A 84 8.834 -8.757 1.986 1.00 0.00 O ATOM 1316 CB VAL A 84 6.632 -10.702 2.434 1.00 0.00 C ATOM 1317 CG1 VAL A 84 5.603 -9.959 1.593 1.00 0.00 C ATOM 1318 CG2 VAL A 84 6.059 -12.018 2.922 1.00 0.00 C ATOM 0 H VAL A 84 8.712 -11.740 3.406 1.00 0.00 H new ATOM 0 HA VAL A 84 7.676 -11.565 0.772 1.00 0.00 H new ATOM 0 HB VAL A 84 6.878 -10.085 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.698 -9.801 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.010 -8.995 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.363 -10.548 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.145 -11.830 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.833 -12.656 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.786 -12.515 3.564 1.00 0.00 H new ATOM 1328 N THR A 85 8.612 -9.445 -0.149 1.00 0.00 N ATOM 1329 CA THR A 85 9.285 -8.290 -0.730 1.00 0.00 C ATOM 1330 C THR A 85 8.713 -6.968 -0.211 1.00 0.00 C ATOM 1331 O THR A 85 9.459 -6.067 0.166 1.00 0.00 O ATOM 1332 CB THR A 85 9.195 -8.323 -2.269 1.00 0.00 C ATOM 1333 OG1 THR A 85 9.483 -9.646 -2.750 1.00 0.00 O ATOM 1334 CG2 THR A 85 10.176 -7.338 -2.891 1.00 0.00 C ATOM 0 H THR A 85 8.240 -10.101 -0.836 1.00 0.00 H new ATOM 0 HA THR A 85 10.330 -8.348 -0.425 1.00 0.00 H new ATOM 0 HB THR A 85 8.182 -8.040 -2.555 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.422 -9.659 -3.728 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.094 -7.380 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.946 -6.329 -2.548 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.192 -7.599 -2.594 1.00 0.00 H new ATOM 1342 N ALA A 86 7.393 -6.867 -0.164 1.00 0.00 N ATOM 1343 CA ALA A 86 6.736 -5.634 0.252 1.00 0.00 C ATOM 1344 C ALA A 86 6.884 -5.386 1.753 1.00 0.00 C ATOM 1345 O ALA A 86 6.980 -4.244 2.197 1.00 0.00 O ATOM 1346 CB ALA A 86 5.269 -5.676 -0.132 1.00 0.00 C ATOM 0 H ALA A 86 6.754 -7.624 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 86 7.224 -4.807 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.784 -4.752 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.179 -5.784 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.789 -6.522 0.359 1.00 0.00 H new ATOM 1352 N LEU A 87 6.940 -6.464 2.526 1.00 0.00 N ATOM 1353 CA LEU A 87 6.952 -6.360 3.983 1.00 0.00 C ATOM 1354 C LEU A 87 8.373 -6.093 4.456 1.00 0.00 C ATOM 1355 O LEU A 87 8.614 -5.197 5.272 1.00 0.00 O ATOM 1356 CB LEU A 87 6.391 -7.647 4.620 1.00 0.00 C ATOM 1357 CG LEU A 87 5.894 -7.528 6.073 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.048 -7.328 7.044 1.00 0.00 C ATOM 1359 CD2 LEU A 87 4.892 -6.390 6.197 1.00 0.00 C ATOM 0 H LEU A 87 6.978 -7.419 2.171 1.00 0.00 H new ATOM 0 HA LEU A 87 6.315 -5.532 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.565 -8.002 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.166 -8.412 4.585 1.00 0.00 H new ATOM 0 HG LEU A 87 5.401 -8.464 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.660 -7.248 8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.728 -8.178 6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.585 -6.414 6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.549 -6.318 7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.367 -5.453 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.040 -6.582 5.545 1.00 0.00 H new ATOM 1371 N LYS A 88 9.309 -6.867 3.924 1.00 0.00 N ATOM 1372 CA LYS A 88 10.715 -6.680 4.234 1.00 0.00 C ATOM 1373 C LYS A 88 11.149 -5.279 3.853 1.00 0.00 C ATOM 1374 O LYS A 88 11.893 -4.631 4.584 1.00 0.00 O ATOM 1375 CB LYS A 88 11.583 -7.703 3.497 1.00 0.00 C ATOM 1376 CG LYS A 88 13.073 -7.483 3.713 1.00 0.00 C ATOM 1377 CD LYS A 88 13.923 -8.371 2.820 1.00 0.00 C ATOM 1378 CE LYS A 88 13.782 -9.838 3.186 1.00 0.00 C ATOM 1379 NZ LYS A 88 14.718 -10.687 2.406 1.00 0.00 N ATOM 0 H LYS A 88 9.117 -7.630 3.275 1.00 0.00 H new ATOM 0 HA LYS A 88 10.845 -6.824 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.317 -8.706 3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.365 -7.655 2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.315 -6.438 3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.319 -7.679 4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.631 -8.226 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.969 -8.075 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.973 -9.968 4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.757 -10.162 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.595 -11.682 2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.519 -10.581 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.697 -10.393 2.599 1.00 0.00 H new ATOM 1393 N LYS A 89 10.657 -4.805 2.710 1.00 0.00 N ATOM 1394 CA LYS A 89 11.040 -3.492 2.216 1.00 0.00 C ATOM 1395 C LYS A 89 10.583 -2.414 3.178 1.00 0.00 C ATOM 1396 O LYS A 89 11.354 -1.535 3.529 1.00 0.00 O ATOM 1397 CB LYS A 89 10.448 -3.225 0.834 1.00 0.00 C ATOM 1398 CG LYS A 89 11.079 -2.044 0.118 1.00 0.00 C ATOM 1399 CD LYS A 89 10.597 -1.944 -1.321 1.00 0.00 C ATOM 1400 CE LYS A 89 10.939 -3.200 -2.109 1.00 0.00 C ATOM 1401 NZ LYS A 89 10.568 -3.075 -3.541 1.00 0.00 N ATOM 0 H LYS A 89 9.998 -5.308 2.116 1.00 0.00 H new ATOM 0 HA LYS A 89 12.127 -3.473 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.567 -4.117 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.377 -3.048 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.837 -1.123 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.164 -2.145 0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.519 -1.786 -1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.052 -1.077 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.007 -3.400 -2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.421 -4.054 -1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.818 -3.952 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.544 -2.910 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.082 -2.276 -3.964 1.00 0.00 H new ATOM 1415 N TYR A 90 9.332 -2.497 3.616 1.00 0.00 N ATOM 1416 CA TYR A 90 8.786 -1.516 4.547 1.00 0.00 C ATOM 1417 C TYR A 90 9.648 -1.435 5.807 1.00 0.00 C ATOM 1418 O TYR A 90 9.970 -0.349 6.279 1.00 0.00 O ATOM 1419 CB TYR A 90 7.338 -1.865 4.913 1.00 0.00 C ATOM 1420 CG TYR A 90 6.660 -0.835 5.793 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.185 0.358 5.259 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.491 -1.056 7.155 1.00 0.00 C ATOM 1423 CE1 TYR A 90 5.563 1.301 6.055 1.00 0.00 C ATOM 1424 CE2 TYR A 90 5.868 -0.117 7.957 1.00 0.00 C ATOM 1425 CZ TYR A 90 5.409 1.060 7.402 1.00 0.00 C ATOM 1426 OH TYR A 90 4.792 2.002 8.197 1.00 0.00 O ATOM 0 H TYR A 90 8.678 -3.231 3.343 1.00 0.00 H new ATOM 0 HA TYR A 90 8.793 -0.542 4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.760 -1.981 3.996 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.325 -2.828 5.423 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.304 0.551 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.852 -1.975 7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.200 2.222 5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.741 -0.304 9.013 1.00 0.00 H new ATOM 0 HH TYR A 90 4.761 1.680 9.122 1.00 0.00 H new ATOM 1436 N ARG A 91 10.047 -2.588 6.330 1.00 0.00 N ATOM 1437 CA ARG A 91 10.851 -2.632 7.548 1.00 0.00 C ATOM 1438 C ARG A 91 12.292 -2.187 7.286 1.00 0.00 C ATOM 1439 O ARG A 91 12.868 -1.429 8.066 1.00 0.00 O ATOM 1440 CB ARG A 91 10.848 -4.044 8.141 1.00 0.00 C ATOM 1441 CG ARG A 91 9.513 -4.458 8.743 1.00 0.00 C ATOM 1442 CD ARG A 91 9.529 -5.908 9.211 1.00 0.00 C ATOM 1443 NE ARG A 91 10.566 -6.159 10.211 1.00 0.00 N ATOM 1444 CZ ARG A 91 10.820 -7.356 10.740 1.00 0.00 C ATOM 1445 NH1 ARG A 91 10.095 -8.410 10.386 1.00 0.00 N ATOM 1446 NH2 ARG A 91 11.794 -7.499 11.634 1.00 0.00 N ATOM 0 H ARG A 91 9.829 -3.502 5.933 1.00 0.00 H new ATOM 0 HA ARG A 91 10.403 -1.939 8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.120 -4.755 7.361 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.617 -4.106 8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.276 -3.807 9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.723 -4.323 8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.555 -6.163 9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.689 -6.562 8.354 1.00 0.00 H new ATOM 0 HE ARG A 91 11.130 -5.369 10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.341 -8.306 9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.292 -9.324 10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.349 -6.691 11.917 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.986 -8.416 12.037 1.00 0.00 H new ATOM 1460 N GLN A 92 12.869 -2.664 6.188 1.00 0.00 N ATOM 1461 CA GLN A 92 14.267 -2.384 5.871 1.00 0.00 C ATOM 1462 C GLN A 92 14.445 -0.938 5.408 1.00 0.00 C ATOM 1463 O GLN A 92 15.475 -0.317 5.662 1.00 0.00 O ATOM 1464 CB GLN A 92 14.767 -3.350 4.791 1.00 0.00 C ATOM 1465 CG GLN A 92 16.282 -3.375 4.628 1.00 0.00 C ATOM 1466 CD GLN A 92 16.987 -4.008 5.814 1.00 0.00 C ATOM 1467 OE1 GLN A 92 17.360 -3.331 6.773 1.00 0.00 O ATOM 1468 NE2 GLN A 92 17.175 -5.317 5.756 1.00 0.00 N ATOM 0 H GLN A 92 12.390 -3.247 5.501 1.00 0.00 H new ATOM 0 HA GLN A 92 14.857 -2.526 6.777 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.422 -4.356 5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.315 -3.077 3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.537 -3.925 3.722 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.646 -2.356 4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.851 -5.843 4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.643 -5.799 6.523 1.00 0.00 H new ATOM 1477 N LEU A 93 13.428 -0.405 4.740 1.00 0.00 N ATOM 1478 CA LEU A 93 13.468 0.962 4.234 1.00 0.00 C ATOM 1479 C LEU A 93 13.415 1.964 5.387 1.00 0.00 C ATOM 1480 O LEU A 93 14.000 3.047 5.314 1.00 0.00 O ATOM 1481 CB LEU A 93 12.301 1.203 3.264 1.00 0.00 C ATOM 1482 CG LEU A 93 12.324 2.548 2.531 1.00 0.00 C ATOM 1483 CD1 LEU A 93 13.563 2.659 1.657 1.00 0.00 C ATOM 1484 CD2 LEU A 93 11.066 2.728 1.695 1.00 0.00 C ATOM 0 H LEU A 93 12.561 -0.902 4.536 1.00 0.00 H new ATOM 0 HA LEU A 93 14.406 1.105 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.296 0.404 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.367 1.127 3.820 1.00 0.00 H new ATOM 0 HG LEU A 93 12.355 3.342 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.562 3.621 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.455 2.580 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.562 1.855 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.104 3.690 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.001 1.927 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.191 2.696 2.344 1.00 0.00 H new