USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 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 54 LYS NZ :NH3+ 157:sc= 0.498 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot -80:sc= 0.46 USER MOD Set 2.1: A 49 TYR OH : rot 15:sc= -0.669 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -153:sc= 0.00368 (180deg=0) USER MOD Set 3.1: A 39 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.88 K(o=-1.9,f=-4.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.12) USER MOD Single : A 34 HIS : no HD1:sc= -2.55 K(o=-2.5,f=-4!) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= 0.966 (180deg=-0.445) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.631 USER MOD Single : A 37 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.31) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.026) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -4.16 K(o=-4.2,f=-5.6!) USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= -0.0607 (180deg=-0.544) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.560 -4.205 -7.718 1.00 0.00 N ATOM 184 CA GLY A 13 -0.200 -4.806 -7.864 1.00 0.00 C ATOM 185 C GLY A 13 0.840 -3.746 -8.256 1.00 0.00 C ATOM 186 O GLY A 13 2.027 -3.970 -8.111 1.00 0.00 O ATOM 0 HA2 GLY A 13 0.094 -5.278 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.226 -5.590 -8.621 1.00 0.00 H new ATOM 190 N GLY A 14 0.423 -2.596 -8.737 1.00 0.00 N ATOM 191 CA GLY A 14 1.412 -1.545 -9.112 1.00 0.00 C ATOM 192 C GLY A 14 1.819 -0.825 -7.837 1.00 0.00 C ATOM 193 O GLY A 14 2.987 -0.674 -7.528 1.00 0.00 O ATOM 0 H GLY A 14 -0.555 -2.346 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.282 -1.991 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.976 -0.845 -9.825 1.00 0.00 H new ATOM 197 N ILE A 15 0.843 -0.412 -7.079 1.00 0.00 N ATOM 198 CA ILE A 15 1.120 0.270 -5.792 1.00 0.00 C ATOM 199 C ILE A 15 1.740 -0.746 -4.844 1.00 0.00 C ATOM 200 O ILE A 15 2.727 -0.487 -4.181 1.00 0.00 O ATOM 201 CB ILE A 15 -0.195 0.751 -5.187 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.001 1.552 -6.225 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.105 1.624 -3.979 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.407 0.959 -6.337 1.00 0.00 C ATOM 0 H ILE A 15 -0.146 -0.521 -7.302 1.00 0.00 H new ATOM 0 HA ILE A 15 1.788 1.116 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.788 -0.111 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.058 2.600 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.502 1.521 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.830 1.972 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.659 1.045 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.702 2.482 -4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.982 1.523 -7.071 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.339 -0.082 -6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.903 1.013 -5.368 1.00 0.00 H new ATOM 216 N THR A 16 1.150 -1.910 -4.784 1.00 0.00 N ATOM 217 CA THR A 16 1.659 -2.983 -3.892 1.00 0.00 C ATOM 218 C THR A 16 3.108 -3.325 -4.271 1.00 0.00 C ATOM 219 O THR A 16 3.894 -3.732 -3.437 1.00 0.00 O ATOM 220 CB THR A 16 0.763 -4.217 -4.055 1.00 0.00 C ATOM 221 OG1 THR A 16 -0.568 -3.877 -3.690 1.00 0.00 O ATOM 222 CG2 THR A 16 1.256 -5.361 -3.161 1.00 0.00 C ATOM 0 H THR A 16 0.324 -2.163 -5.326 1.00 0.00 H new ATOM 0 HA THR A 16 1.641 -2.651 -2.854 1.00 0.00 H new ATOM 0 HB THR A 16 0.797 -4.544 -5.094 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.146 -4.661 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.608 -6.228 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.276 -5.626 -3.438 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.234 -5.043 -2.119 1.00 0.00 H new ATOM 230 N ASP A 17 3.463 -3.152 -5.522 1.00 0.00 N ATOM 231 CA ASP A 17 4.860 -3.456 -5.956 1.00 0.00 C ATOM 232 C ASP A 17 5.823 -2.522 -5.222 1.00 0.00 C ATOM 233 O ASP A 17 6.905 -2.916 -4.828 1.00 0.00 O ATOM 234 CB ASP A 17 4.989 -3.239 -7.468 1.00 0.00 C ATOM 235 CG ASP A 17 6.386 -3.660 -7.930 1.00 0.00 C ATOM 236 OD1 ASP A 17 6.788 -4.764 -7.603 1.00 0.00 O ATOM 237 OD2 ASP A 17 7.029 -2.871 -8.602 1.00 0.00 O ATOM 0 H ASP A 17 2.845 -2.814 -6.259 1.00 0.00 H new ATOM 0 HA ASP A 17 5.100 -4.493 -5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.231 -3.819 -7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.815 -2.191 -7.711 1.00 0.00 H new ATOM 242 N MET A 18 5.427 -1.290 -5.028 1.00 0.00 N ATOM 243 CA MET A 18 6.302 -0.321 -4.308 1.00 0.00 C ATOM 244 C MET A 18 6.142 -0.503 -2.792 1.00 0.00 C ATOM 245 O MET A 18 6.980 -0.074 -2.020 1.00 0.00 O ATOM 246 CB MET A 18 5.908 1.106 -4.694 1.00 0.00 C ATOM 247 CG MET A 18 6.411 1.409 -6.108 1.00 0.00 C ATOM 248 SD MET A 18 6.772 3.177 -6.257 1.00 0.00 S ATOM 249 CE MET A 18 7.454 3.129 -7.932 1.00 0.00 C ATOM 0 H MET A 18 4.531 -0.914 -5.339 1.00 0.00 H new ATOM 0 HA MET A 18 7.341 -0.501 -4.584 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.825 1.220 -4.649 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.333 1.817 -3.985 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.307 0.825 -6.319 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.660 1.117 -6.842 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.749 4.134 -8.234 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.325 2.474 -7.952 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.700 2.750 -8.621 1.00 0.00 H new ATOM 259 N LEU A 19 5.081 -1.147 -2.360 1.00 0.00 N ATOM 260 CA LEU A 19 4.874 -1.365 -0.900 1.00 0.00 C ATOM 261 C LEU A 19 5.633 -2.622 -0.495 1.00 0.00 C ATOM 262 O LEU A 19 6.197 -2.705 0.578 1.00 0.00 O ATOM 263 CB LEU A 19 3.381 -1.564 -0.619 1.00 0.00 C ATOM 264 CG LEU A 19 2.689 -0.199 -0.454 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.444 -0.138 -1.343 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.268 -0.007 1.006 1.00 0.00 C ATOM 0 H LEU A 19 4.351 -1.530 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 19 5.233 -0.504 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.920 -2.118 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.249 -2.159 0.284 1.00 0.00 H new ATOM 0 HG LEU A 19 3.385 0.588 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.958 0.830 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.734 -0.271 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.752 -0.930 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.778 0.960 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.577 -0.799 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.149 -0.045 1.647 1.00 0.00 H new ATOM 278 N VAL A 20 5.648 -3.595 -1.363 1.00 0.00 N ATOM 279 CA VAL A 20 6.364 -4.863 -1.071 1.00 0.00 C ATOM 280 C VAL A 20 7.870 -4.638 -1.236 1.00 0.00 C ATOM 281 O VAL A 20 8.674 -5.251 -0.559 1.00 0.00 O ATOM 282 CB VAL A 20 5.889 -5.935 -2.054 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.561 -7.265 -1.732 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.371 -6.097 -1.937 1.00 0.00 C ATOM 0 H VAL A 20 5.188 -3.563 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 20 6.158 -5.186 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 20 6.151 -5.632 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.219 -8.025 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.642 -7.155 -1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.302 -7.567 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.032 -6.861 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.114 -6.396 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.885 -5.150 -2.170 1.00 0.00 H new ATOM 294 N GLU A 21 8.250 -3.764 -2.131 1.00 0.00 N ATOM 295 CA GLU A 21 9.700 -3.490 -2.350 1.00 0.00 C ATOM 296 C GLU A 21 10.294 -2.845 -1.097 1.00 0.00 C ATOM 297 O GLU A 21 11.186 -3.393 -0.472 1.00 0.00 O ATOM 298 CB GLU A 21 9.866 -2.543 -3.540 1.00 0.00 C ATOM 299 CG GLU A 21 11.264 -2.714 -4.138 1.00 0.00 C ATOM 300 CD GLU A 21 11.323 -4.020 -4.933 1.00 0.00 C ATOM 301 OE1 GLU A 21 11.642 -5.037 -4.339 1.00 0.00 O ATOM 302 OE2 GLU A 21 11.048 -3.981 -6.121 1.00 0.00 O ATOM 0 H GLU A 21 7.615 -3.226 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 21 10.219 -4.426 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.108 -2.754 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.719 -1.511 -3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.499 -1.870 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.012 -2.725 -3.345 1.00 0.00 H new ATOM 309 N LEU A 22 9.808 -1.685 -0.722 1.00 0.00 N ATOM 310 CA LEU A 22 10.353 -1.014 0.492 1.00 0.00 C ATOM 311 C LEU A 22 10.046 -1.877 1.723 1.00 0.00 C ATOM 312 O LEU A 22 10.805 -1.911 2.670 1.00 0.00 O ATOM 313 CB LEU A 22 9.742 0.395 0.636 1.00 0.00 C ATOM 314 CG LEU A 22 8.262 0.316 1.040 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.149 0.250 2.570 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.529 1.558 0.526 1.00 0.00 C ATOM 0 H LEU A 22 9.063 -1.180 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 22 11.433 -0.903 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.297 0.961 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.837 0.934 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 22 7.814 -0.578 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.098 0.194 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.672 -0.634 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.596 1.143 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.478 1.505 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.978 2.451 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.608 1.604 -0.560 1.00 0.00 H new ATOM 328 N ALA A 23 8.934 -2.579 1.706 1.00 0.00 N ATOM 329 CA ALA A 23 8.562 -3.452 2.867 1.00 0.00 C ATOM 330 C ALA A 23 9.721 -4.398 3.188 1.00 0.00 C ATOM 331 O ALA A 23 10.080 -4.588 4.334 1.00 0.00 O ATOM 332 CB ALA A 23 7.321 -4.275 2.512 1.00 0.00 C ATOM 0 H ALA A 23 8.267 -2.584 0.935 1.00 0.00 H new ATOM 0 HA ALA A 23 8.350 -2.827 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.051 -4.909 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.493 -3.604 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.534 -4.898 1.644 1.00 0.00 H new ATOM 338 N ASN A 24 10.322 -4.972 2.174 1.00 0.00 N ATOM 339 CA ASN A 24 11.476 -5.886 2.403 1.00 0.00 C ATOM 340 C ASN A 24 12.613 -5.073 3.023 1.00 0.00 C ATOM 341 O ASN A 24 13.325 -5.537 3.891 1.00 0.00 O ATOM 342 CB ASN A 24 11.931 -6.478 1.065 1.00 0.00 C ATOM 343 CG ASN A 24 11.346 -7.882 0.899 1.00 0.00 C ATOM 344 OD1 ASN A 24 10.770 -8.196 -0.123 1.00 0.00 O ATOM 345 ND2 ASN A 24 11.471 -8.746 1.869 1.00 0.00 N ATOM 0 H ASN A 24 10.060 -4.844 1.197 1.00 0.00 H new ATOM 0 HA ASN A 24 11.191 -6.700 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.607 -5.839 0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.019 -6.520 1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.085 -9.685 1.769 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.955 -8.483 2.727 1.00 0.00 H new ATOM 352 N PHE A 25 12.765 -3.849 2.587 1.00 0.00 N ATOM 353 CA PHE A 25 13.832 -2.969 3.147 1.00 0.00 C ATOM 354 C PHE A 25 13.583 -2.738 4.639 1.00 0.00 C ATOM 355 O PHE A 25 14.494 -2.428 5.381 1.00 0.00 O ATOM 356 CB PHE A 25 13.805 -1.625 2.417 1.00 0.00 C ATOM 357 CG PHE A 25 14.989 -0.792 2.842 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.234 -0.985 2.235 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.840 0.176 3.843 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.333 -0.211 2.630 1.00 0.00 C ATOM 361 CE2 PHE A 25 15.937 0.950 4.238 1.00 0.00 C ATOM 362 CZ PHE A 25 17.183 0.756 3.631 1.00 0.00 C ATOM 0 H PHE A 25 12.191 -3.419 1.862 1.00 0.00 H new ATOM 0 HA PHE A 25 14.803 -3.446 3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.829 -1.785 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.878 -1.097 2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.348 -1.730 1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.878 0.325 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.295 -0.360 2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.822 1.696 5.010 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.030 1.353 3.935 1.00 0.00 H new ATOM 372 N GLU A 26 12.359 -2.883 5.082 1.00 0.00 N ATOM 373 CA GLU A 26 12.059 -2.668 6.530 1.00 0.00 C ATOM 374 C GLU A 26 12.527 -3.888 7.327 1.00 0.00 C ATOM 375 O GLU A 26 13.331 -3.775 8.233 1.00 0.00 O ATOM 376 CB GLU A 26 10.547 -2.466 6.753 1.00 0.00 C ATOM 377 CG GLU A 26 9.919 -1.615 5.631 1.00 0.00 C ATOM 378 CD GLU A 26 10.677 -0.292 5.468 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.839 -0.339 5.098 1.00 0.00 O ATOM 380 OE2 GLU A 26 10.082 0.743 5.715 1.00 0.00 O ATOM 0 H GLU A 26 11.558 -3.140 4.506 1.00 0.00 H new ATOM 0 HA GLU A 26 12.583 -1.773 6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.052 -3.436 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.382 -1.981 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.938 -2.169 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.873 -1.415 5.861 1.00 0.00 H new ATOM 387 N LYS A 27 12.027 -5.050 6.995 1.00 0.00 N ATOM 388 CA LYS A 27 12.437 -6.285 7.728 1.00 0.00 C ATOM 389 C LYS A 27 13.911 -6.587 7.445 1.00 0.00 C ATOM 390 O LYS A 27 14.653 -6.971 8.329 1.00 0.00 O ATOM 391 CB LYS A 27 11.576 -7.463 7.266 1.00 0.00 C ATOM 392 CG LYS A 27 11.876 -8.687 8.134 1.00 0.00 C ATOM 393 CD LYS A 27 10.893 -8.737 9.305 1.00 0.00 C ATOM 394 CE LYS A 27 11.401 -9.724 10.357 1.00 0.00 C ATOM 395 NZ LYS A 27 10.242 -10.321 11.080 1.00 0.00 N ATOM 0 H LYS A 27 11.351 -5.197 6.246 1.00 0.00 H new ATOM 0 HA LYS A 27 12.299 -6.132 8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.519 -7.204 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.780 -7.688 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.795 -9.597 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.899 -8.640 8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.784 -7.745 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.907 -9.040 8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.989 -10.508 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.059 -9.215 11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.587 -10.992 11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.698 -9.567 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.631 -10.821 10.403 1.00 0.00 H new ATOM 409 N ASN A 28 14.341 -6.412 6.218 1.00 0.00 N ATOM 410 CA ASN A 28 15.772 -6.683 5.870 1.00 0.00 C ATOM 411 C ASN A 28 16.689 -5.807 6.731 1.00 0.00 C ATOM 412 O ASN A 28 17.832 -6.144 6.976 1.00 0.00 O ATOM 413 CB ASN A 28 16.010 -6.369 4.392 1.00 0.00 C ATOM 414 CG ASN A 28 15.411 -7.481 3.528 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.650 -7.216 2.618 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.724 -8.723 3.776 1.00 0.00 N ATOM 0 H ASN A 28 13.762 -6.093 5.442 1.00 0.00 H new ATOM 0 HA ASN A 28 15.993 -7.733 6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.557 -5.411 4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.078 -6.278 4.197 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.330 -9.472 3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.363 -8.945 4.540 1.00 0.00 H new ATOM 423 N VAL A 29 16.190 -4.688 7.197 1.00 0.00 N ATOM 424 CA VAL A 29 17.018 -3.789 8.049 1.00 0.00 C ATOM 425 C VAL A 29 16.835 -4.210 9.516 1.00 0.00 C ATOM 426 O VAL A 29 15.930 -4.951 9.848 1.00 0.00 O ATOM 427 CB VAL A 29 16.566 -2.335 7.822 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.227 -1.392 8.837 1.00 0.00 C ATOM 429 CG2 VAL A 29 16.973 -1.903 6.410 1.00 0.00 C ATOM 0 H VAL A 29 15.240 -4.360 7.021 1.00 0.00 H new ATOM 0 HA VAL A 29 18.075 -3.862 7.792 1.00 0.00 H new ATOM 0 HB VAL A 29 15.484 -2.282 7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.892 -0.371 8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.949 -1.692 9.847 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.310 -1.443 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.657 -0.874 6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.056 -1.972 6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.496 -2.555 5.678 1.00 0.00 H new ATOM 439 N SER A 30 17.705 -3.760 10.385 1.00 0.00 N ATOM 440 CA SER A 30 17.607 -4.152 11.824 1.00 0.00 C ATOM 441 C SER A 30 16.484 -3.382 12.527 1.00 0.00 C ATOM 442 O SER A 30 15.474 -3.950 12.897 1.00 0.00 O ATOM 443 CB SER A 30 18.935 -3.847 12.516 1.00 0.00 C ATOM 444 OG SER A 30 18.815 -4.124 13.905 1.00 0.00 O ATOM 0 H SER A 30 18.480 -3.137 10.159 1.00 0.00 H new ATOM 0 HA SER A 30 17.384 -5.217 11.881 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.732 -4.450 12.081 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.206 -2.802 12.364 1.00 0.00 H new ATOM 0 HG SER A 30 19.666 -3.931 14.352 1.00 0.00 H new ATOM 450 N GLN A 31 16.665 -2.102 12.737 1.00 0.00 N ATOM 451 CA GLN A 31 15.621 -1.299 13.443 1.00 0.00 C ATOM 452 C GLN A 31 14.564 -0.799 12.452 1.00 0.00 C ATOM 453 O GLN A 31 14.395 0.392 12.258 1.00 0.00 O ATOM 454 CB GLN A 31 16.288 -0.106 14.134 1.00 0.00 C ATOM 455 CG GLN A 31 17.337 -0.610 15.128 1.00 0.00 C ATOM 456 CD GLN A 31 16.636 -1.242 16.332 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.391 -0.581 17.322 1.00 0.00 O ATOM 458 NE2 GLN A 31 16.301 -2.502 16.290 1.00 0.00 N ATOM 0 H GLN A 31 17.492 -1.578 12.449 1.00 0.00 H new ATOM 0 HA GLN A 31 15.128 -1.929 14.184 1.00 0.00 H new ATOM 0 HB2 GLN A 31 16.756 0.542 13.393 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.539 0.493 14.652 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.987 -1.341 14.647 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.971 0.215 15.454 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.507 -3.057 15.459 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.834 -2.932 17.088 1.00 0.00 H new ATOM 467 N ALA A 32 13.841 -1.698 11.830 1.00 0.00 N ATOM 468 CA ALA A 32 12.786 -1.272 10.864 1.00 0.00 C ATOM 469 C ALA A 32 11.662 -2.314 10.832 1.00 0.00 C ATOM 470 O ALA A 32 11.236 -2.750 9.778 1.00 0.00 O ATOM 471 CB ALA A 32 13.399 -1.120 9.472 1.00 0.00 C ATOM 0 H ALA A 32 13.937 -2.706 11.950 1.00 0.00 H new ATOM 0 HA ALA A 32 12.371 -0.314 11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.628 -0.809 8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.188 -0.369 9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.819 -2.074 9.153 1.00 0.00 H new ATOM 477 N ILE A 33 11.177 -2.712 11.981 1.00 0.00 N ATOM 478 CA ILE A 33 10.078 -3.719 12.029 1.00 0.00 C ATOM 479 C ILE A 33 8.727 -2.993 12.161 1.00 0.00 C ATOM 480 O ILE A 33 7.712 -3.480 11.714 1.00 0.00 O ATOM 481 CB ILE A 33 10.361 -4.717 13.196 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.443 -6.148 12.642 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.283 -4.674 14.293 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.553 -6.242 11.591 1.00 0.00 C ATOM 0 H ILE A 33 11.498 -2.380 12.891 1.00 0.00 H new ATOM 0 HA ILE A 33 10.031 -4.302 11.109 1.00 0.00 H new ATOM 0 HB ILE A 33 11.307 -4.416 13.647 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.639 -6.850 13.453 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.488 -6.430 12.200 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.533 -5.389 15.077 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.236 -3.671 14.717 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.315 -4.932 13.863 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.603 -7.260 11.205 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.339 -5.554 10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.508 -5.979 12.046 1.00 0.00 H new ATOM 496 N HIS A 34 8.717 -1.835 12.767 1.00 0.00 N ATOM 497 CA HIS A 34 7.429 -1.076 12.912 1.00 0.00 C ATOM 498 C HIS A 34 6.943 -0.672 11.516 1.00 0.00 C ATOM 499 O HIS A 34 5.798 -0.890 11.156 1.00 0.00 O ATOM 500 CB HIS A 34 7.607 0.186 13.786 1.00 0.00 C ATOM 501 CG HIS A 34 8.945 0.837 13.538 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.077 0.475 14.250 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.353 1.808 12.657 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.101 1.210 13.789 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.716 2.043 12.818 1.00 0.00 N ATOM 0 H HIS A 34 9.537 -1.380 13.167 1.00 0.00 H new ATOM 0 HA HIS A 34 6.698 -1.717 13.405 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.809 0.896 13.571 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.520 -0.082 14.839 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.714 2.313 11.947 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.113 1.137 14.158 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.295 2.708 12.305 1.00 0.00 H new ATOM 513 N LYS A 35 7.815 -0.105 10.725 1.00 0.00 N ATOM 514 CA LYS A 35 7.428 0.300 9.343 1.00 0.00 C ATOM 515 C LYS A 35 7.194 -0.954 8.490 1.00 0.00 C ATOM 516 O LYS A 35 6.483 -0.918 7.506 1.00 0.00 O ATOM 517 CB LYS A 35 8.541 1.150 8.721 1.00 0.00 C ATOM 518 CG LYS A 35 9.895 0.432 8.853 1.00 0.00 C ATOM 519 CD LYS A 35 10.920 1.363 9.510 1.00 0.00 C ATOM 520 CE LYS A 35 11.166 2.576 8.610 1.00 0.00 C ATOM 521 NZ LYS A 35 11.637 2.117 7.273 1.00 0.00 N ATOM 0 H LYS A 35 8.782 0.096 10.978 1.00 0.00 H new ATOM 0 HA LYS A 35 6.511 0.888 9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.321 1.337 7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.586 2.121 9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.779 -0.473 9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.250 0.123 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.557 1.689 10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.855 0.829 9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.249 3.156 8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.908 3.233 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.148 2.890 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.273 1.302 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.819 1.838 6.694 1.00 0.00 H new ATOM 535 N TYR A 36 7.786 -2.066 8.864 1.00 0.00 N ATOM 536 CA TYR A 36 7.601 -3.333 8.087 1.00 0.00 C ATOM 537 C TYR A 36 6.102 -3.646 7.953 1.00 0.00 C ATOM 538 O TYR A 36 5.561 -3.666 6.865 1.00 0.00 O ATOM 539 CB TYR A 36 8.311 -4.473 8.829 1.00 0.00 C ATOM 540 CG TYR A 36 8.185 -5.767 8.059 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.531 -5.818 6.706 1.00 0.00 C ATOM 542 CD2 TYR A 36 7.725 -6.916 8.710 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.417 -7.021 6.001 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.609 -8.120 8.008 1.00 0.00 C ATOM 545 CZ TYR A 36 7.956 -8.174 6.652 1.00 0.00 C ATOM 546 OH TYR A 36 7.844 -9.360 5.957 1.00 0.00 O ATOM 0 H TYR A 36 8.393 -2.149 9.680 1.00 0.00 H new ATOM 0 HA TYR A 36 8.025 -3.223 7.089 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.364 -4.226 8.965 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.880 -4.591 9.823 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.886 -4.930 6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.459 -6.874 9.756 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.684 -7.062 4.955 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.252 -9.007 8.511 1.00 0.00 H new ATOM 0 HH TYR A 36 7.511 -10.060 6.556 1.00 0.00 H new ATOM 556 N ASN A 37 5.433 -3.877 9.056 1.00 0.00 N ATOM 557 CA ASN A 37 3.968 -4.176 9.008 1.00 0.00 C ATOM 558 C ASN A 37 3.226 -3.024 8.316 1.00 0.00 C ATOM 559 O ASN A 37 2.167 -3.210 7.748 1.00 0.00 O ATOM 560 CB ASN A 37 3.437 -4.339 10.434 1.00 0.00 C ATOM 561 CG ASN A 37 3.681 -5.772 10.909 1.00 0.00 C ATOM 562 OD1 ASN A 37 2.748 -6.514 11.147 1.00 0.00 O ATOM 563 ND2 ASN A 37 4.906 -6.197 11.058 1.00 0.00 N ATOM 0 H ASN A 37 5.840 -3.871 9.991 1.00 0.00 H new ATOM 0 HA ASN A 37 3.805 -5.097 8.448 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.933 -3.634 11.101 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.372 -4.111 10.465 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.080 -7.151 11.374 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.689 -5.575 10.858 1.00 0.00 H new ATOM 570 N ALA A 38 3.784 -1.835 8.353 1.00 0.00 N ATOM 571 CA ALA A 38 3.130 -0.662 7.690 1.00 0.00 C ATOM 572 C ALA A 38 2.846 -0.981 6.215 1.00 0.00 C ATOM 573 O ALA A 38 1.715 -0.946 5.768 1.00 0.00 O ATOM 574 CB ALA A 38 4.075 0.540 7.769 1.00 0.00 C ATOM 0 H ALA A 38 4.669 -1.627 8.817 1.00 0.00 H new ATOM 0 HA ALA A 38 2.190 -0.439 8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.610 1.401 7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.280 0.774 8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.009 0.302 7.260 1.00 0.00 H new ATOM 580 N TYR A 39 3.869 -1.282 5.462 1.00 0.00 N ATOM 581 CA TYR A 39 3.677 -1.590 4.014 1.00 0.00 C ATOM 582 C TYR A 39 3.409 -3.085 3.833 1.00 0.00 C ATOM 583 O TYR A 39 2.729 -3.492 2.911 1.00 0.00 O ATOM 584 CB TYR A 39 4.937 -1.197 3.236 1.00 0.00 C ATOM 585 CG TYR A 39 5.324 0.227 3.573 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.086 0.492 4.718 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.922 1.279 2.742 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.445 1.807 5.032 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.282 2.594 3.056 1.00 0.00 C ATOM 590 CZ TYR A 39 6.043 2.859 4.202 1.00 0.00 C ATOM 591 OH TYR A 39 6.398 4.157 4.510 1.00 0.00 O ATOM 0 H TYR A 39 4.834 -1.328 5.788 1.00 0.00 H new ATOM 0 HA TYR A 39 2.825 -1.025 3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.754 -1.874 3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.758 -1.291 2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.397 -0.320 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.334 1.076 1.859 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.033 2.010 5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.973 3.406 2.414 1.00 0.00 H new ATOM 0 HH TYR A 39 7.253 4.157 4.988 1.00 0.00 H new ATOM 601 N ARG A 40 3.941 -3.904 4.705 1.00 0.00 N ATOM 602 CA ARG A 40 3.721 -5.377 4.587 1.00 0.00 C ATOM 603 C ARG A 40 2.229 -5.689 4.724 1.00 0.00 C ATOM 604 O ARG A 40 1.683 -6.490 3.988 1.00 0.00 O ATOM 605 CB ARG A 40 4.496 -6.098 5.692 1.00 0.00 C ATOM 606 CG ARG A 40 4.487 -7.604 5.424 1.00 0.00 C ATOM 607 CD ARG A 40 5.446 -7.926 4.277 1.00 0.00 C ATOM 608 NE ARG A 40 4.907 -9.071 3.481 1.00 0.00 N ATOM 609 CZ ARG A 40 5.452 -9.430 2.336 1.00 0.00 C ATOM 610 NH1 ARG A 40 6.494 -8.801 1.842 1.00 0.00 N ATOM 611 NH2 ARG A 40 4.946 -10.436 1.677 1.00 0.00 N ATOM 0 H ARG A 40 4.519 -3.615 5.494 1.00 0.00 H new ATOM 0 HA ARG A 40 4.072 -5.717 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.522 -5.731 5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.046 -5.888 6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.784 -8.145 6.322 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.479 -7.933 5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.571 -7.052 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.431 -8.176 4.672 1.00 0.00 H new ATOM 0 HE ARG A 40 4.099 -9.586 3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.901 -8.014 2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.896 -9.100 0.954 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.138 -10.935 2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.359 -10.724 0.790 1.00 0.00 H new ATOM 625 N LYS A 41 1.567 -5.062 5.664 1.00 0.00 N ATOM 626 CA LYS A 41 0.109 -5.320 5.860 1.00 0.00 C ATOM 627 C LYS A 41 -0.697 -4.546 4.814 1.00 0.00 C ATOM 628 O LYS A 41 -1.690 -5.030 4.306 1.00 0.00 O ATOM 629 CB LYS A 41 -0.304 -4.863 7.261 1.00 0.00 C ATOM 630 CG LYS A 41 0.318 -5.792 8.306 1.00 0.00 C ATOM 631 CD LYS A 41 -0.604 -5.883 9.523 1.00 0.00 C ATOM 632 CE LYS A 41 -1.812 -6.759 9.185 1.00 0.00 C ATOM 633 NZ LYS A 41 -1.431 -8.196 9.298 1.00 0.00 N ATOM 0 H LYS A 41 1.975 -4.381 6.305 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.087 -6.387 5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.022 -3.837 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.390 -4.871 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.474 -6.783 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.296 -5.416 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.063 -6.303 10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.935 -4.887 9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.637 -6.536 9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.161 -6.542 8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.960 -8.752 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.411 -8.299 9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.656 -8.541 10.253 1.00 0.00 H new ATOM 647 N ALA A 42 -0.278 -3.347 4.494 1.00 0.00 N ATOM 648 CA ALA A 42 -1.021 -2.535 3.484 1.00 0.00 C ATOM 649 C ALA A 42 -0.896 -3.187 2.105 1.00 0.00 C ATOM 650 O ALA A 42 -1.833 -3.197 1.330 1.00 0.00 O ATOM 651 CB ALA A 42 -0.436 -1.124 3.433 1.00 0.00 C ATOM 0 H ALA A 42 0.547 -2.896 4.889 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.073 -2.484 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.978 -0.532 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.528 -0.656 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.616 -1.176 3.153 1.00 0.00 H new ATOM 657 N ALA A 43 0.253 -3.730 1.796 1.00 0.00 N ATOM 658 CA ALA A 43 0.444 -4.381 0.467 1.00 0.00 C ATOM 659 C ALA A 43 -0.358 -5.684 0.416 1.00 0.00 C ATOM 660 O ALA A 43 -0.801 -6.106 -0.634 1.00 0.00 O ATOM 661 CB ALA A 43 1.927 -4.692 0.254 1.00 0.00 C ATOM 0 H ALA A 43 1.068 -3.750 2.408 1.00 0.00 H new ATOM 0 HA ALA A 43 0.098 -3.707 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.063 -5.167 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.502 -3.766 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.274 -5.364 1.039 1.00 0.00 H new ATOM 667 N SER A 44 -0.540 -6.324 1.543 1.00 0.00 N ATOM 668 CA SER A 44 -1.305 -7.606 1.569 1.00 0.00 C ATOM 669 C SER A 44 -2.780 -7.346 1.242 1.00 0.00 C ATOM 670 O SER A 44 -3.335 -7.939 0.338 1.00 0.00 O ATOM 671 CB SER A 44 -1.198 -8.232 2.960 1.00 0.00 C ATOM 672 OG SER A 44 -1.303 -9.646 2.847 1.00 0.00 O ATOM 0 H SER A 44 -0.190 -6.012 2.449 1.00 0.00 H new ATOM 0 HA SER A 44 -0.889 -8.285 0.825 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.248 -7.962 3.421 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.987 -7.847 3.606 1.00 0.00 H new ATOM 0 HG SER A 44 -1.233 -10.051 3.737 1.00 0.00 H new ATOM 678 N VAL A 45 -3.418 -6.473 1.980 1.00 0.00 N ATOM 679 CA VAL A 45 -4.862 -6.178 1.728 1.00 0.00 C ATOM 680 C VAL A 45 -5.046 -5.632 0.304 1.00 0.00 C ATOM 681 O VAL A 45 -5.961 -6.019 -0.399 1.00 0.00 O ATOM 682 CB VAL A 45 -5.358 -5.151 2.761 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.542 -3.861 2.645 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.840 -4.840 2.522 1.00 0.00 C ATOM 0 H VAL A 45 -3.000 -5.950 2.749 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.444 -7.095 1.825 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.235 -5.569 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.898 -3.138 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.490 -4.078 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.656 -3.447 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.182 -4.112 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.969 -4.431 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.424 -5.755 2.618 1.00 0.00 H new ATOM 694 N ILE A 46 -4.190 -4.736 -0.119 1.00 0.00 N ATOM 695 CA ILE A 46 -4.321 -4.161 -1.490 1.00 0.00 C ATOM 696 C ILE A 46 -3.950 -5.221 -2.535 1.00 0.00 C ATOM 697 O ILE A 46 -4.561 -5.306 -3.584 1.00 0.00 O ATOM 698 CB ILE A 46 -3.394 -2.946 -1.622 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.745 -1.926 -0.534 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.577 -2.301 -2.998 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.727 -0.784 -0.550 1.00 0.00 C ATOM 0 H ILE A 46 -3.406 -4.379 0.427 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.351 -3.847 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.358 -3.267 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.748 -1.534 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.749 -2.409 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.916 -1.439 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.334 -3.026 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.612 -1.979 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.980 -0.060 0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.730 -1.183 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.745 -0.294 -1.524 1.00 0.00 H new ATOM 713 N ALA A 47 -2.956 -6.026 -2.258 1.00 0.00 N ATOM 714 CA ALA A 47 -2.543 -7.079 -3.235 1.00 0.00 C ATOM 715 C ALA A 47 -3.677 -8.092 -3.421 1.00 0.00 C ATOM 716 O ALA A 47 -3.779 -8.731 -4.452 1.00 0.00 O ATOM 717 CB ALA A 47 -1.301 -7.804 -2.713 1.00 0.00 C ATOM 0 H ALA A 47 -2.412 -6.000 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.319 -6.607 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.001 -8.572 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.488 -7.089 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.528 -8.269 -1.754 1.00 0.00 H new ATOM 723 N LYS A 48 -4.524 -8.248 -2.434 1.00 0.00 N ATOM 724 CA LYS A 48 -5.647 -9.223 -2.553 1.00 0.00 C ATOM 725 C LYS A 48 -6.985 -8.494 -2.413 1.00 0.00 C ATOM 726 O LYS A 48 -7.970 -9.068 -1.987 1.00 0.00 O ATOM 727 CB LYS A 48 -5.525 -10.273 -1.447 1.00 0.00 C ATOM 728 CG LYS A 48 -6.342 -11.510 -1.824 1.00 0.00 C ATOM 729 CD LYS A 48 -6.528 -12.395 -0.590 1.00 0.00 C ATOM 730 CE LYS A 48 -5.176 -12.973 -0.168 1.00 0.00 C ATOM 731 NZ LYS A 48 -5.389 -14.060 0.831 1.00 0.00 N ATOM 0 H LYS A 48 -4.484 -7.740 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.601 -9.707 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.479 -10.545 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.881 -9.864 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.313 -11.211 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.835 -12.068 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.958 -11.814 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.228 -13.201 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.648 -13.363 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.551 -12.189 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.470 -14.453 1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.876 -13.674 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.970 -14.812 0.408 1.00 0.00 H new ATOM 745 N TYR A 49 -7.026 -7.234 -2.766 1.00 0.00 N ATOM 746 CA TYR A 49 -8.298 -6.464 -2.655 1.00 0.00 C ATOM 747 C TYR A 49 -9.153 -6.711 -3.913 1.00 0.00 C ATOM 748 O TYR A 49 -8.625 -6.711 -5.007 1.00 0.00 O ATOM 749 CB TYR A 49 -7.972 -4.969 -2.535 1.00 0.00 C ATOM 750 CG TYR A 49 -9.109 -4.229 -1.858 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.677 -4.727 -0.677 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.589 -3.036 -2.411 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.721 -4.036 -0.054 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.634 -2.344 -1.786 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.200 -2.844 -0.609 1.00 0.00 C ATOM 756 OH TYR A 49 -12.229 -2.161 0.007 1.00 0.00 O ATOM 0 H TYR A 49 -6.231 -6.706 -3.127 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.852 -6.787 -1.773 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.053 -4.836 -1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.796 -4.549 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.307 -5.646 -0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.153 -2.649 -3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.158 -4.422 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.003 -1.423 -2.213 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.346 -2.499 0.920 1.00 0.00 H new ATOM 766 N PRO A 50 -10.450 -6.916 -3.741 1.00 0.00 N ATOM 767 CA PRO A 50 -11.398 -7.171 -4.874 1.00 0.00 C ATOM 768 C PRO A 50 -11.936 -5.861 -5.458 1.00 0.00 C ATOM 769 O PRO A 50 -12.912 -5.865 -6.185 1.00 0.00 O ATOM 770 CB PRO A 50 -12.528 -7.952 -4.217 1.00 0.00 C ATOM 771 CG PRO A 50 -12.517 -7.610 -2.737 1.00 0.00 C ATOM 772 CD PRO A 50 -11.181 -6.930 -2.423 1.00 0.00 C ATOM 0 HA PRO A 50 -10.924 -7.698 -5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.487 -7.689 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.390 -9.023 -4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.349 -6.950 -2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.637 -8.511 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.329 -5.920 -2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.623 -7.480 -1.665 1.00 0.00 H new ATOM 780 N HIS A 51 -11.328 -4.741 -5.141 1.00 0.00 N ATOM 781 CA HIS A 51 -11.842 -3.443 -5.681 1.00 0.00 C ATOM 782 C HIS A 51 -10.678 -2.473 -5.891 1.00 0.00 C ATOM 783 O HIS A 51 -9.552 -2.754 -5.524 1.00 0.00 O ATOM 784 CB HIS A 51 -12.854 -2.841 -4.695 1.00 0.00 C ATOM 785 CG HIS A 51 -13.846 -3.900 -4.286 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.826 -4.368 -5.146 1.00 0.00 N ATOM 787 CD2 HIS A 51 -13.992 -4.619 -3.125 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.509 -5.329 -4.497 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.042 -5.520 -3.261 1.00 0.00 N ATOM 0 H HIS A 51 -10.508 -4.670 -4.539 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.334 -3.619 -6.638 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.337 -2.453 -3.817 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.372 -2.001 -5.157 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.383 -4.502 -2.240 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.335 -5.879 -4.924 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.382 -6.184 -2.566 1.00 0.00 H new ATOM 797 N LYS A 52 -10.943 -1.339 -6.486 1.00 0.00 N ATOM 798 CA LYS A 52 -9.860 -0.344 -6.735 1.00 0.00 C ATOM 799 C LYS A 52 -9.876 0.724 -5.642 1.00 0.00 C ATOM 800 O LYS A 52 -10.922 1.183 -5.225 1.00 0.00 O ATOM 801 CB LYS A 52 -10.084 0.322 -8.096 1.00 0.00 C ATOM 802 CG LYS A 52 -8.825 1.099 -8.513 1.00 0.00 C ATOM 803 CD LYS A 52 -9.139 2.596 -8.596 1.00 0.00 C ATOM 804 CE LYS A 52 -7.921 3.343 -9.142 1.00 0.00 C ATOM 805 NZ LYS A 52 -7.696 2.956 -10.563 1.00 0.00 N ATOM 0 H LYS A 52 -11.868 -1.059 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.896 -0.853 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.320 -0.433 -8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.938 0.997 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.025 0.926 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.468 0.739 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.001 2.762 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.402 2.979 -7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.078 4.419 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.039 3.107 -8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.156 3.703 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.162 2.065 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.613 2.830 -11.038 1.00 0.00 H new ATOM 819 N ILE A 53 -8.718 1.126 -5.183 1.00 0.00 N ATOM 820 CA ILE A 53 -8.652 2.174 -4.120 1.00 0.00 C ATOM 821 C ILE A 53 -8.239 3.507 -4.749 1.00 0.00 C ATOM 822 O ILE A 53 -7.160 4.017 -4.505 1.00 0.00 O ATOM 823 CB ILE A 53 -7.638 1.768 -3.044 1.00 0.00 C ATOM 824 CG1 ILE A 53 -6.319 1.342 -3.700 1.00 0.00 C ATOM 825 CG2 ILE A 53 -8.201 0.602 -2.231 1.00 0.00 C ATOM 826 CD1 ILE A 53 -5.237 1.185 -2.629 1.00 0.00 C ATOM 0 H ILE A 53 -7.815 0.773 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.632 2.279 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.452 2.619 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.455 0.402 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.011 2.085 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.482 0.312 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.134 0.906 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.390 -0.244 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.301 0.882 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.094 2.135 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.544 0.426 -1.910 1.00 0.00 H new ATOM 838 N LYS A 54 -9.096 4.073 -5.560 1.00 0.00 N ATOM 839 CA LYS A 54 -8.772 5.375 -6.213 1.00 0.00 C ATOM 840 C LYS A 54 -8.762 6.501 -5.170 1.00 0.00 C ATOM 841 O LYS A 54 -8.259 7.579 -5.425 1.00 0.00 O ATOM 842 CB LYS A 54 -9.824 5.685 -7.281 1.00 0.00 C ATOM 843 CG LYS A 54 -11.218 5.625 -6.657 1.00 0.00 C ATOM 844 CD LYS A 54 -12.214 6.353 -7.563 1.00 0.00 C ATOM 845 CE LYS A 54 -13.461 6.724 -6.758 1.00 0.00 C ATOM 846 NZ LYS A 54 -13.283 8.077 -6.161 1.00 0.00 N ATOM 0 H LYS A 54 -10.010 3.687 -5.798 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.786 5.305 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.646 6.673 -7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.749 4.969 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.524 4.587 -6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.206 6.084 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.756 7.251 -7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.488 5.717 -8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.340 6.712 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.632 5.988 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.215 8.493 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.740 7.998 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.770 8.687 -6.829 1.00 0.00 H new ATOM 860 N SER A 55 -9.308 6.264 -3.999 1.00 0.00 N ATOM 861 CA SER A 55 -9.324 7.325 -2.951 1.00 0.00 C ATOM 862 C SER A 55 -8.492 6.868 -1.751 1.00 0.00 C ATOM 863 O SER A 55 -8.541 5.719 -1.354 1.00 0.00 O ATOM 864 CB SER A 55 -10.764 7.580 -2.505 1.00 0.00 C ATOM 865 OG SER A 55 -11.582 7.780 -3.651 1.00 0.00 O ATOM 0 H SER A 55 -9.742 5.381 -3.728 1.00 0.00 H new ATOM 0 HA SER A 55 -8.902 8.244 -3.358 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.132 6.734 -1.924 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.807 8.455 -1.856 1.00 0.00 H new ATOM 0 HG SER A 55 -11.475 8.699 -3.973 1.00 0.00 H new ATOM 871 N GLY A 56 -7.729 7.762 -1.171 1.00 0.00 N ATOM 872 CA GLY A 56 -6.888 7.392 0.008 1.00 0.00 C ATOM 873 C GLY A 56 -7.778 6.851 1.132 1.00 0.00 C ATOM 874 O GLY A 56 -7.369 6.005 1.905 1.00 0.00 O ATOM 0 H GLY A 56 -7.653 8.736 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.153 6.640 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.333 8.263 0.358 1.00 0.00 H new ATOM 878 N ALA A 57 -8.993 7.332 1.220 1.00 0.00 N ATOM 879 CA ALA A 57 -9.918 6.848 2.285 1.00 0.00 C ATOM 880 C ALA A 57 -10.212 5.364 2.058 1.00 0.00 C ATOM 881 O ALA A 57 -10.368 4.602 2.993 1.00 0.00 O ATOM 882 CB ALA A 57 -11.225 7.642 2.227 1.00 0.00 C ATOM 0 H ALA A 57 -9.383 8.040 0.598 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.456 6.986 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.901 7.288 3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.015 8.700 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.691 7.504 1.252 1.00 0.00 H new ATOM 888 N GLU A 58 -10.283 4.953 0.817 1.00 0.00 N ATOM 889 CA GLU A 58 -10.560 3.518 0.511 1.00 0.00 C ATOM 890 C GLU A 58 -9.421 2.643 1.046 1.00 0.00 C ATOM 891 O GLU A 58 -9.600 1.464 1.286 1.00 0.00 O ATOM 892 CB GLU A 58 -10.674 3.335 -1.004 1.00 0.00 C ATOM 893 CG GLU A 58 -12.135 3.493 -1.429 1.00 0.00 C ATOM 894 CD GLU A 58 -12.219 3.561 -2.955 1.00 0.00 C ATOM 895 OE1 GLU A 58 -11.477 4.337 -3.534 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.023 2.837 -3.517 1.00 0.00 O ATOM 0 H GLU A 58 -10.161 5.552 0.001 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.494 3.222 0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.053 4.070 -1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.305 2.350 -1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.725 2.655 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.556 4.398 -0.990 1.00 0.00 H new ATOM 903 N ALA A 59 -8.252 3.207 1.231 1.00 0.00 N ATOM 904 CA ALA A 59 -7.102 2.408 1.749 1.00 0.00 C ATOM 905 C ALA A 59 -7.143 2.375 3.280 1.00 0.00 C ATOM 906 O ALA A 59 -6.653 1.449 3.900 1.00 0.00 O ATOM 907 CB ALA A 59 -5.790 3.047 1.289 1.00 0.00 C ATOM 0 H ALA A 59 -8.046 4.188 1.045 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.168 1.390 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.950 2.465 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.757 3.067 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.727 4.065 1.673 1.00 0.00 H new ATOM 913 N LYS A 60 -7.720 3.380 3.894 1.00 0.00 N ATOM 914 CA LYS A 60 -7.792 3.413 5.384 1.00 0.00 C ATOM 915 C LYS A 60 -8.846 2.414 5.870 1.00 0.00 C ATOM 916 O LYS A 60 -8.639 1.703 6.836 1.00 0.00 O ATOM 917 CB LYS A 60 -8.175 4.821 5.845 1.00 0.00 C ATOM 918 CG LYS A 60 -7.786 5.003 7.313 1.00 0.00 C ATOM 919 CD LYS A 60 -8.986 4.678 8.205 1.00 0.00 C ATOM 920 CE LYS A 60 -8.545 4.666 9.670 1.00 0.00 C ATOM 921 NZ LYS A 60 -9.702 4.303 10.535 1.00 0.00 N ATOM 0 H LYS A 60 -8.144 4.180 3.424 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.820 3.145 5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.671 5.566 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.247 4.977 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.948 4.351 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.456 6.027 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.773 5.417 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.404 3.709 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.734 3.951 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.159 5.646 9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.402 4.295 11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.463 5.001 10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.050 3.359 10.271 1.00 0.00 H new ATOM 935 N LYS A 61 -9.973 2.358 5.208 1.00 0.00 N ATOM 936 CA LYS A 61 -11.052 1.408 5.623 1.00 0.00 C ATOM 937 C LYS A 61 -10.530 -0.034 5.580 1.00 0.00 C ATOM 938 O LYS A 61 -11.050 -0.908 6.249 1.00 0.00 O ATOM 939 CB LYS A 61 -12.248 1.547 4.673 1.00 0.00 C ATOM 940 CG LYS A 61 -11.805 1.264 3.234 1.00 0.00 C ATOM 941 CD LYS A 61 -12.985 1.482 2.284 1.00 0.00 C ATOM 942 CE LYS A 61 -12.781 0.650 1.017 1.00 0.00 C ATOM 943 NZ LYS A 61 -14.107 0.235 0.475 1.00 0.00 N ATOM 0 H LYS A 61 -10.194 2.931 4.394 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.362 1.644 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.037 0.853 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.665 2.552 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.979 1.920 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.440 0.240 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.917 1.197 2.773 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.069 2.538 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.237 1.230 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.176 -0.229 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.002 -0.650 -0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.772 0.087 1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.473 0.978 -0.154 1.00 0.00 H new ATOM 957 N LEU A 62 -9.513 -0.290 4.793 1.00 0.00 N ATOM 958 CA LEU A 62 -8.960 -1.674 4.695 1.00 0.00 C ATOM 959 C LEU A 62 -8.480 -2.142 6.083 1.00 0.00 C ATOM 960 O LEU A 62 -7.878 -1.370 6.806 1.00 0.00 O ATOM 961 CB LEU A 62 -7.775 -1.681 3.724 1.00 0.00 C ATOM 962 CG LEU A 62 -8.225 -1.185 2.347 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.013 -1.094 1.418 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.244 -2.162 1.754 1.00 0.00 C ATOM 0 H LEU A 62 -9.042 0.404 4.213 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.738 -2.347 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.977 -1.044 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.367 -2.689 3.642 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.683 -0.202 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.332 -0.741 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.286 -0.397 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.556 -2.079 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.562 -1.806 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.787 -3.146 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.109 -2.230 2.414 1.00 0.00 H new ATOM 976 N PRO A 63 -8.744 -3.391 6.427 1.00 0.00 N ATOM 977 CA PRO A 63 -8.334 -3.980 7.741 1.00 0.00 C ATOM 978 C PRO A 63 -6.876 -4.429 7.680 1.00 0.00 C ATOM 979 O PRO A 63 -6.556 -5.466 7.131 1.00 0.00 O ATOM 980 CB PRO A 63 -9.271 -5.167 7.913 1.00 0.00 C ATOM 981 CG PRO A 63 -9.730 -5.581 6.527 1.00 0.00 C ATOM 982 CD PRO A 63 -9.475 -4.406 5.581 1.00 0.00 C ATOM 0 HA PRO A 63 -8.402 -3.277 8.572 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.760 -5.991 8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.124 -4.897 8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.187 -6.465 6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.788 -5.841 6.537 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.877 -4.711 4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.409 -4.000 5.192 1.00 0.00 H new ATOM 990 N GLY A 64 -5.994 -3.642 8.233 1.00 0.00 N ATOM 991 CA GLY A 64 -4.545 -3.994 8.209 1.00 0.00 C ATOM 992 C GLY A 64 -3.716 -2.754 7.850 1.00 0.00 C ATOM 993 O GLY A 64 -2.526 -2.707 8.103 1.00 0.00 O ATOM 0 H GLY A 64 -6.216 -2.765 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.238 -4.379 9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.366 -4.786 7.482 1.00 0.00 H new ATOM 997 N VAL A 65 -4.330 -1.751 7.264 1.00 0.00 N ATOM 998 CA VAL A 65 -3.571 -0.522 6.891 1.00 0.00 C ATOM 999 C VAL A 65 -3.594 0.462 8.063 1.00 0.00 C ATOM 1000 O VAL A 65 -4.608 0.643 8.712 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.220 0.131 5.667 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.359 1.304 5.197 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.336 -0.898 4.539 1.00 0.00 C ATOM 0 H VAL A 65 -5.323 -1.734 7.030 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.541 -0.789 6.655 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.213 0.492 5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.821 1.768 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.276 2.038 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.366 0.943 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.798 -0.433 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.343 -1.260 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.950 -1.735 4.872 1.00 0.00 H new ATOM 1013 N GLY A 66 -2.483 1.095 8.336 1.00 0.00 N ATOM 1014 CA GLY A 66 -2.426 2.068 9.465 1.00 0.00 C ATOM 1015 C GLY A 66 -2.900 3.440 8.985 1.00 0.00 C ATOM 1016 O GLY A 66 -3.638 3.551 8.025 1.00 0.00 O ATOM 0 H GLY A 66 -1.609 0.979 7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.053 1.723 10.287 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.408 2.137 9.847 1.00 0.00 H new ATOM 1020 N THR A 67 -2.479 4.486 9.650 1.00 0.00 N ATOM 1021 CA THR A 67 -2.898 5.860 9.243 1.00 0.00 C ATOM 1022 C THR A 67 -1.813 6.495 8.370 1.00 0.00 C ATOM 1023 O THR A 67 -2.092 7.349 7.549 1.00 0.00 O ATOM 1024 CB THR A 67 -3.113 6.717 10.493 1.00 0.00 C ATOM 1025 OG1 THR A 67 -1.877 6.874 11.175 1.00 0.00 O ATOM 1026 CG2 THR A 67 -4.124 6.034 11.415 1.00 0.00 C ATOM 0 H THR A 67 -1.861 4.446 10.460 1.00 0.00 H new ATOM 0 HA THR A 67 -3.827 5.800 8.676 1.00 0.00 H new ATOM 0 HB THR A 67 -3.495 7.696 10.202 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.012 7.424 11.975 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.276 6.645 12.305 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.072 5.914 10.890 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.746 5.055 11.708 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.580 6.088 8.542 1.00 0.00 N ATOM 1035 CA LYS A 68 0.528 6.669 7.726 1.00 0.00 C ATOM 1036 C LYS A 68 0.599 5.957 6.372 1.00 0.00 C ATOM 1037 O LYS A 68 0.861 6.568 5.354 1.00 0.00 O ATOM 1038 CB LYS A 68 1.855 6.490 8.465 1.00 0.00 C ATOM 1039 CG LYS A 68 2.844 7.562 8.004 1.00 0.00 C ATOM 1040 CD LYS A 68 4.187 7.358 8.710 1.00 0.00 C ATOM 1041 CE LYS A 68 4.923 8.695 8.804 1.00 0.00 C ATOM 1042 NZ LYS A 68 6.192 8.511 9.563 1.00 0.00 N ATOM 0 H LYS A 68 -0.293 5.377 9.214 1.00 0.00 H new ATOM 0 HA LYS A 68 0.340 7.731 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.697 6.564 9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.261 5.497 8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.978 7.508 6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.451 8.554 8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.027 6.948 9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.792 6.636 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.136 9.076 7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.294 9.434 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.693 9.420 9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.977 8.166 10.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.793 7.819 9.072 1.00 0.00 H new ATOM 1056 N ILE A 69 0.377 4.667 6.356 1.00 0.00 N ATOM 1057 CA ILE A 69 0.436 3.907 5.074 1.00 0.00 C ATOM 1058 C ILE A 69 -0.788 4.237 4.217 1.00 0.00 C ATOM 1059 O ILE A 69 -0.685 4.416 3.018 1.00 0.00 O ATOM 1060 CB ILE A 69 0.458 2.412 5.388 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.625 2.122 6.345 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.617 1.606 4.093 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.968 2.418 5.661 1.00 0.00 C ATOM 0 H ILE A 69 0.157 4.107 7.180 1.00 0.00 H new ATOM 0 HA ILE A 69 1.335 4.183 4.524 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.480 2.120 5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.526 2.731 7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.593 1.079 6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.632 0.541 4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.219 1.820 3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.551 1.883 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.783 2.207 6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.072 1.790 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.003 3.467 5.368 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.945 4.311 4.823 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.186 4.622 4.048 1.00 0.00 C ATOM 1077 C ALA A 70 -3.048 5.992 3.376 1.00 0.00 C ATOM 1078 O ALA A 70 -3.292 6.136 2.191 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.388 4.632 4.992 1.00 0.00 C ATOM 0 H ALA A 70 -2.085 4.169 5.823 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.332 3.861 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.292 4.859 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.489 3.654 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.241 5.391 5.761 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.659 7.000 4.122 1.00 0.00 N ATOM 1086 CA GLU A 71 -2.504 8.361 3.532 1.00 0.00 C ATOM 1087 C GLU A 71 -1.497 8.309 2.378 1.00 0.00 C ATOM 1088 O GLU A 71 -1.611 9.035 1.408 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.007 9.334 4.605 1.00 0.00 C ATOM 1090 CG GLU A 71 -0.703 8.814 5.214 1.00 0.00 C ATOM 1091 CD GLU A 71 -0.145 9.852 6.189 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -0.810 10.129 7.174 1.00 0.00 O ATOM 1093 OE2 GLU A 71 0.938 10.352 5.936 1.00 0.00 O ATOM 0 H GLU A 71 -2.443 6.934 5.117 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.468 8.703 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.847 10.320 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.762 9.448 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.882 7.872 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.023 8.612 4.427 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.519 7.444 2.478 1.00 0.00 N ATOM 1101 CA LYS A 72 0.497 7.322 1.392 1.00 0.00 C ATOM 1102 C LYS A 72 -0.197 6.851 0.113 1.00 0.00 C ATOM 1103 O LYS A 72 0.175 7.230 -0.983 1.00 0.00 O ATOM 1104 CB LYS A 72 1.565 6.305 1.801 1.00 0.00 C ATOM 1105 CG LYS A 72 2.921 6.733 1.237 1.00 0.00 C ATOM 1106 CD LYS A 72 4.029 6.335 2.214 1.00 0.00 C ATOM 1107 CE LYS A 72 5.157 7.366 2.155 1.00 0.00 C ATOM 1108 NZ LYS A 72 5.777 7.502 3.503 1.00 0.00 N ATOM 0 H LYS A 72 -0.381 6.815 3.269 1.00 0.00 H new ATOM 0 HA LYS A 72 0.971 8.288 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.617 6.234 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.301 5.315 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.089 6.262 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.935 7.811 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.631 6.274 3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.412 5.346 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.908 7.058 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.767 8.328 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.544 8.203 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.058 7.814 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.163 6.584 3.802 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.214 6.037 0.250 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.954 5.543 -0.948 1.00 0.00 C ATOM 1124 C ILE A 73 -2.606 6.736 -1.650 1.00 0.00 C ATOM 1125 O ILE A 73 -2.584 6.844 -2.859 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.036 4.549 -0.510 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.402 3.411 0.311 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.735 3.968 -1.743 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.347 2.670 -0.522 1.00 0.00 C ATOM 0 H ILE A 73 -1.564 5.693 1.144 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.266 5.043 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.768 5.070 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.943 3.817 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.175 2.713 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.503 3.262 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.196 4.774 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.004 3.454 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.909 1.869 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.816 2.247 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.565 3.367 -0.822 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.177 7.639 -0.889 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.828 8.843 -1.492 1.00 0.00 C ATOM 1143 C ASP A 74 -2.809 9.604 -2.347 1.00 0.00 C ATOM 1144 O ASP A 74 -3.136 10.132 -3.392 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.342 9.757 -0.377 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.599 10.487 -0.854 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.620 10.901 -2.001 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.518 10.620 -0.064 1.00 0.00 O ATOM 0 H ASP A 74 -3.220 7.593 0.129 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.663 8.528 -2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.565 9.171 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.573 10.478 -0.100 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.574 9.649 -1.911 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.524 10.359 -2.699 1.00 0.00 C ATOM 1155 C GLU A 75 -0.344 9.644 -4.039 1.00 0.00 C ATOM 1156 O GLU A 75 -0.052 10.255 -5.048 1.00 0.00 O ATOM 1157 CB GLU A 75 0.798 10.339 -1.927 1.00 0.00 C ATOM 1158 CG GLU A 75 0.651 11.159 -0.642 1.00 0.00 C ATOM 1159 CD GLU A 75 2.032 11.618 -0.170 1.00 0.00 C ATOM 1160 OE1 GLU A 75 2.731 10.815 0.425 1.00 0.00 O ATOM 1161 OE2 GLU A 75 2.367 12.767 -0.411 1.00 0.00 O ATOM 0 H GLU A 75 -1.249 9.224 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.824 11.393 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.076 9.313 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.598 10.749 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.010 12.022 -0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.171 10.560 0.132 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.529 8.349 -4.049 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.388 7.571 -5.314 1.00 0.00 C ATOM 1170 C PHE A 76 -1.490 7.987 -6.283 1.00 0.00 C ATOM 1171 O PHE A 76 -1.245 8.284 -7.438 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.534 6.075 -5.001 1.00 0.00 C ATOM 1173 CG PHE A 76 0.788 5.381 -5.183 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.142 4.880 -6.438 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.655 5.242 -4.097 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.372 4.233 -6.610 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.885 4.596 -4.266 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.244 4.092 -5.523 1.00 0.00 C ATOM 0 H PHE A 76 -0.773 7.794 -3.229 1.00 0.00 H new ATOM 0 HA PHE A 76 0.588 7.764 -5.760 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.887 5.942 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.282 5.629 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.468 4.991 -7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.377 5.632 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.648 3.844 -7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.557 4.486 -3.428 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.194 3.595 -5.654 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.705 7.991 -5.815 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.852 8.362 -6.683 1.00 0.00 C ATOM 1190 C LEU A 77 -3.864 9.876 -6.924 1.00 0.00 C ATOM 1191 O LEU A 77 -4.401 10.346 -7.909 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.156 7.945 -5.988 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.364 6.421 -6.054 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.306 5.928 -7.503 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.285 5.714 -5.231 1.00 0.00 C ATOM 0 H LEU A 77 -2.954 7.750 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.759 7.853 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.134 8.266 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.999 8.450 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.348 6.190 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.455 4.849 -7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.088 6.415 -8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.333 6.169 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.437 4.636 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.302 5.961 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.346 6.041 -4.193 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.281 10.643 -6.034 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.263 12.126 -6.212 1.00 0.00 C ATOM 1209 C ALA A 78 -2.527 12.484 -7.511 1.00 0.00 C ATOM 1210 O ALA A 78 -3.145 12.753 -8.525 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.557 12.775 -5.018 1.00 0.00 C ATOM 0 H ALA A 78 -2.817 10.304 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.287 12.496 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.544 13.857 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.090 12.526 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.534 12.404 -4.955 1.00 0.00 H new ATOM 1217 N THR A 79 -1.218 12.488 -7.488 1.00 0.00 N ATOM 1218 CA THR A 79 -0.441 12.826 -8.717 1.00 0.00 C ATOM 1219 C THR A 79 0.334 11.593 -9.186 1.00 0.00 C ATOM 1220 O THR A 79 0.276 11.216 -10.341 1.00 0.00 O ATOM 1221 CB THR A 79 0.542 13.957 -8.404 1.00 0.00 C ATOM 1222 OG1 THR A 79 -0.135 14.986 -7.695 1.00 0.00 O ATOM 1223 CG2 THR A 79 1.105 14.521 -9.709 1.00 0.00 C ATOM 0 H THR A 79 -0.653 12.271 -6.667 1.00 0.00 H new ATOM 0 HA THR A 79 -1.125 13.146 -9.503 1.00 0.00 H new ATOM 0 HB THR A 79 1.359 13.571 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.493 15.711 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.805 15.326 -9.485 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.623 13.731 -10.253 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.289 14.908 -10.320 1.00 0.00 H new