USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 490 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 39 HIS : no HE2:sc= -3.44 X(o=-4.2,f=-3.9!) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.802 X(o=-4.2,f=-3.9) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 158:sc= 0.368 (180deg=0.0648) USER MOD Set 2.2: A 34 CYS SG : rot 80:sc= 0.633 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -70:sc= 1.08 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= -0.0294 (180deg=-0.213) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= -0.01 (180deg=-0.113) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0889 USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0489 (180deg=-0.316) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -16:sc= 1.23 USER MOD Single : A 59 TYR OH : rot 180:sc= -2.03! USER MOD Single : A 63 SER OG : rot 154:sc= 0.996 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.0249 (180deg=-0.351) USER MOD Single : A 71 TYR OH : rot 180:sc=-0.00279 USER MOD ----------------------------------------------------------------- ATOM 147 N LYS A 11 0.645 -7.318 -0.681 1.00 0.00 N ATOM 148 CA LYS A 11 1.453 -6.291 -0.057 1.00 0.00 C ATOM 149 C LYS A 11 0.728 -5.625 1.102 1.00 0.00 C ATOM 150 O LYS A 11 1.354 -5.066 1.970 1.00 0.00 O ATOM 151 CB LYS A 11 1.757 -5.238 -1.089 1.00 0.00 C ATOM 152 CG LYS A 11 2.570 -5.751 -2.267 1.00 0.00 C ATOM 153 CD LYS A 11 2.807 -4.667 -3.305 1.00 0.00 C ATOM 154 CE LYS A 11 3.596 -5.205 -4.487 1.00 0.00 C ATOM 155 NZ LYS A 11 3.812 -4.175 -5.533 1.00 0.00 N ATOM 0 HA LYS A 11 2.360 -6.757 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.819 -4.824 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.300 -4.422 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.528 -6.128 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.050 -6.590 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.851 -4.275 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.347 -3.836 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.561 -5.575 -4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.066 -6.054 -4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.354 -4.587 -6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.893 -3.839 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.341 -3.376 -5.129 1.00 0.00 H new ATOM 169 N PHE A 12 -0.590 -5.701 1.116 1.00 0.00 N ATOM 170 CA PHE A 12 -1.366 -5.040 2.148 1.00 0.00 C ATOM 171 C PHE A 12 -1.103 -5.600 3.537 1.00 0.00 C ATOM 172 O PHE A 12 -1.040 -4.836 4.503 1.00 0.00 O ATOM 173 CB PHE A 12 -2.860 -5.019 1.835 1.00 0.00 C ATOM 174 CG PHE A 12 -3.263 -3.894 0.920 1.00 0.00 C ATOM 175 CD1 PHE A 12 -4.048 -4.119 -0.194 1.00 0.00 C ATOM 176 CD2 PHE A 12 -2.858 -2.596 1.196 1.00 0.00 C ATOM 177 CE1 PHE A 12 -4.427 -3.068 -1.012 1.00 0.00 C ATOM 178 CE2 PHE A 12 -3.227 -1.549 0.384 1.00 0.00 C ATOM 179 CZ PHE A 12 -4.012 -1.781 -0.718 1.00 0.00 C ATOM 0 H PHE A 12 -1.143 -6.211 0.428 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.021 -4.006 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.141 -5.968 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.418 -4.937 2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.369 -5.123 -0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.243 -2.405 2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.045 -3.252 -1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.900 -0.546 0.613 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.305 -0.960 -1.355 1.00 0.00 H new ATOM 189 N TYR A 13 -0.924 -6.921 3.661 1.00 0.00 N ATOM 190 CA TYR A 13 -0.646 -7.459 4.988 1.00 0.00 C ATOM 191 C TYR A 13 0.791 -7.148 5.348 1.00 0.00 C ATOM 192 O TYR A 13 1.116 -6.894 6.500 1.00 0.00 O ATOM 193 CB TYR A 13 -0.945 -8.979 5.127 1.00 0.00 C ATOM 194 CG TYR A 13 -0.050 -9.901 4.328 1.00 0.00 C ATOM 195 CD1 TYR A 13 1.231 -10.220 4.772 1.00 0.00 C ATOM 196 CD2 TYR A 13 -0.491 -10.473 3.155 1.00 0.00 C ATOM 197 CE1 TYR A 13 2.043 -11.069 4.059 1.00 0.00 C ATOM 198 CE2 TYR A 13 0.315 -11.324 2.436 1.00 0.00 C ATOM 199 CZ TYR A 13 1.582 -11.618 2.890 1.00 0.00 C ATOM 200 OH TYR A 13 2.389 -12.469 2.168 1.00 0.00 O ATOM 0 H TYR A 13 -0.964 -7.601 2.902 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.327 -6.975 5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.868 -9.251 6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.978 -9.156 4.827 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.593 -9.792 5.695 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.484 -10.250 2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.035 -11.302 4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.045 -11.761 1.516 1.00 0.00 H new ATOM 0 HH TYR A 13 1.912 -12.771 1.367 1.00 0.00 H new ATOM 210 N ASP A 14 1.644 -7.157 4.324 1.00 0.00 N ATOM 211 CA ASP A 14 3.055 -6.821 4.475 1.00 0.00 C ATOM 212 C ASP A 14 3.214 -5.399 4.974 1.00 0.00 C ATOM 213 O ASP A 14 4.001 -5.131 5.883 1.00 0.00 O ATOM 214 CB ASP A 14 3.784 -6.986 3.140 1.00 0.00 C ATOM 215 CG ASP A 14 5.271 -6.721 3.256 1.00 0.00 C ATOM 216 OD1 ASP A 14 5.948 -7.427 4.037 1.00 0.00 O ATOM 217 OD2 ASP A 14 5.779 -5.827 2.547 1.00 0.00 O ATOM 0 H ASP A 14 1.375 -7.397 3.370 1.00 0.00 H new ATOM 0 HA ASP A 14 3.492 -7.500 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.626 -7.998 2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.353 -6.304 2.407 1.00 0.00 H new ATOM 222 N ILE A 15 2.455 -4.495 4.379 1.00 0.00 N ATOM 223 CA ILE A 15 2.465 -3.095 4.761 1.00 0.00 C ATOM 224 C ILE A 15 2.045 -2.909 6.227 1.00 0.00 C ATOM 225 O ILE A 15 2.719 -2.208 6.991 1.00 0.00 O ATOM 226 CB ILE A 15 1.526 -2.286 3.824 1.00 0.00 C ATOM 227 CG1 ILE A 15 2.135 -2.198 2.417 1.00 0.00 C ATOM 228 CG2 ILE A 15 1.244 -0.902 4.384 1.00 0.00 C ATOM 229 CD1 ILE A 15 1.186 -1.648 1.372 1.00 0.00 C ATOM 0 H ILE A 15 1.814 -4.712 3.616 1.00 0.00 H new ATOM 0 HA ILE A 15 3.484 -2.723 4.660 1.00 0.00 H new ATOM 0 HB ILE A 15 0.572 -2.810 3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.023 -1.568 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.462 -3.192 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.584 -0.362 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.764 -0.995 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.181 -0.355 4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.688 -1.616 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.308 -2.290 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.878 -0.641 1.654 1.00 0.00 H new ATOM 241 N LEU A 16 0.941 -3.534 6.611 1.00 0.00 N ATOM 242 CA LEU A 16 0.493 -3.483 8.003 1.00 0.00 C ATOM 243 C LEU A 16 1.454 -4.216 8.948 1.00 0.00 C ATOM 244 O LEU A 16 1.541 -3.882 10.132 1.00 0.00 O ATOM 245 CB LEU A 16 -0.932 -4.030 8.162 1.00 0.00 C ATOM 246 CG LEU A 16 -2.060 -3.208 7.522 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.394 -3.899 7.734 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.092 -1.798 8.100 1.00 0.00 C ATOM 0 H LEU A 16 0.342 -4.078 5.989 1.00 0.00 H new ATOM 0 HA LEU A 16 0.488 -2.430 8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.960 -5.034 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.143 -4.126 9.227 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.871 -3.133 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.187 -3.308 7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.368 -4.888 7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.586 -3.999 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.898 -1.232 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.260 -1.849 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.141 -1.303 7.905 1.00 0.00 H new ATOM 260 N GLY A 17 2.179 -5.191 8.427 1.00 0.00 N ATOM 261 CA GLY A 17 3.098 -5.952 9.255 1.00 0.00 C ATOM 262 C GLY A 17 2.425 -7.142 9.892 1.00 0.00 C ATOM 263 O GLY A 17 2.948 -7.745 10.825 1.00 0.00 O ATOM 0 H GLY A 17 2.150 -5.472 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.938 -6.291 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.506 -5.306 10.032 1.00 0.00 H new ATOM 267 N VAL A 18 1.257 -7.463 9.393 1.00 0.00 N ATOM 268 CA VAL A 18 0.479 -8.577 9.886 1.00 0.00 C ATOM 269 C VAL A 18 0.679 -9.801 8.994 1.00 0.00 C ATOM 270 O VAL A 18 1.126 -9.673 7.853 1.00 0.00 O ATOM 271 CB VAL A 18 -1.024 -8.219 9.957 1.00 0.00 C ATOM 272 CG1 VAL A 18 -1.253 -7.130 10.973 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.551 -7.793 8.593 1.00 0.00 C ATOM 0 H VAL A 18 0.814 -6.956 8.627 1.00 0.00 H new ATOM 0 HA VAL A 18 0.826 -8.807 10.893 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.571 -9.110 10.266 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.315 -6.887 11.013 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.922 -7.472 11.954 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.688 -6.242 10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.610 -7.547 8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.000 -6.918 8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.420 -8.608 7.882 1.00 0.00 H new ATOM 283 N PRO A 19 0.380 -11.004 9.507 1.00 0.00 N ATOM 284 CA PRO A 19 0.492 -12.247 8.732 1.00 0.00 C ATOM 285 C PRO A 19 -0.558 -12.312 7.638 1.00 0.00 C ATOM 286 O PRO A 19 -1.471 -11.484 7.590 1.00 0.00 O ATOM 287 CB PRO A 19 0.222 -13.339 9.769 1.00 0.00 C ATOM 288 CG PRO A 19 -0.605 -12.670 10.799 1.00 0.00 C ATOM 289 CD PRO A 19 -0.087 -11.267 10.886 1.00 0.00 C ATOM 0 HA PRO A 19 1.458 -12.339 8.236 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.302 -14.186 9.327 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.150 -13.724 10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.659 -12.682 10.523 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.521 -13.179 11.759 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.865 -10.567 11.190 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.722 -11.179 11.611 1.00 0.00 H new ATOM 297 N VAL A 20 -0.441 -13.294 6.763 1.00 0.00 N ATOM 298 CA VAL A 20 -1.417 -13.477 5.708 1.00 0.00 C ATOM 299 C VAL A 20 -2.718 -13.874 6.394 1.00 0.00 C ATOM 300 O VAL A 20 -3.814 -13.471 6.006 1.00 0.00 O ATOM 301 CB VAL A 20 -1.006 -14.625 4.744 1.00 0.00 C ATOM 302 CG1 VAL A 20 -2.055 -14.836 3.660 1.00 0.00 C ATOM 303 CG2 VAL A 20 0.360 -14.375 4.138 1.00 0.00 C ATOM 0 H VAL A 20 0.319 -13.975 6.763 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.505 -12.562 5.123 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.944 -15.541 5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.740 -15.645 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.008 -15.094 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.169 -13.920 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.617 -15.196 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.343 -13.441 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.104 -14.308 4.932 1.00 0.00 H new ATOM 313 N THR A 21 -2.545 -14.655 7.459 1.00 0.00 N ATOM 314 CA THR A 21 -3.629 -15.205 8.249 1.00 0.00 C ATOM 315 C THR A 21 -4.040 -14.219 9.369 1.00 0.00 C ATOM 316 O THR A 21 -4.580 -14.622 10.401 1.00 0.00 O ATOM 317 CB THR A 21 -3.167 -16.528 8.903 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.311 -17.248 7.993 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.357 -17.404 9.259 1.00 0.00 C ATOM 0 H THR A 21 -1.622 -14.925 7.799 1.00 0.00 H new ATOM 0 HA THR A 21 -4.481 -15.381 7.592 1.00 0.00 H new ATOM 0 HB THR A 21 -2.624 -16.283 9.816 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.019 -18.085 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.004 -18.328 9.717 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.002 -16.874 9.960 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.919 -17.639 8.355 1.00 0.00 H new ATOM 327 N ALA A 22 -3.780 -12.935 9.152 1.00 0.00 N ATOM 328 CA ALA A 22 -4.071 -11.911 10.150 1.00 0.00 C ATOM 329 C ALA A 22 -5.549 -11.810 10.466 1.00 0.00 C ATOM 330 O ALA A 22 -6.397 -11.917 9.582 1.00 0.00 O ATOM 331 CB ALA A 22 -3.561 -10.566 9.684 1.00 0.00 C ATOM 0 H ALA A 22 -3.367 -12.577 8.291 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.558 -12.208 11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.785 -9.811 10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.483 -10.619 9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.047 -10.297 8.746 1.00 0.00 H new ATOM 337 N THR A 23 -5.840 -11.611 11.727 1.00 0.00 N ATOM 338 CA THR A 23 -7.196 -11.425 12.195 1.00 0.00 C ATOM 339 C THR A 23 -7.511 -9.931 12.308 1.00 0.00 C ATOM 340 O THR A 23 -6.602 -9.103 12.212 1.00 0.00 O ATOM 341 CB THR A 23 -7.398 -12.108 13.559 1.00 0.00 C ATOM 342 OG1 THR A 23 -6.450 -11.587 14.512 1.00 0.00 O ATOM 343 CG2 THR A 23 -7.223 -13.616 13.441 1.00 0.00 C ATOM 0 H THR A 23 -5.138 -11.573 12.466 1.00 0.00 H new ATOM 0 HA THR A 23 -7.875 -11.881 11.475 1.00 0.00 H new ATOM 0 HB THR A 23 -8.413 -11.900 13.899 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.550 -11.902 14.284 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.370 -14.077 14.418 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.955 -14.013 12.738 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.218 -13.839 13.083 1.00 0.00 H new ATOM 351 N ASP A 24 -8.782 -9.591 12.547 1.00 0.00 N ATOM 352 CA ASP A 24 -9.215 -8.190 12.648 1.00 0.00 C ATOM 353 C ASP A 24 -8.426 -7.431 13.697 1.00 0.00 C ATOM 354 O ASP A 24 -8.068 -6.271 13.489 1.00 0.00 O ATOM 355 CB ASP A 24 -10.698 -8.127 13.027 1.00 0.00 C ATOM 356 CG ASP A 24 -11.629 -8.501 11.903 1.00 0.00 C ATOM 357 OD1 ASP A 24 -11.716 -9.708 11.572 1.00 0.00 O ATOM 358 OD2 ASP A 24 -12.303 -7.602 11.376 1.00 0.00 O ATOM 0 H ASP A 24 -9.533 -10.269 12.675 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.044 -7.730 11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.876 -8.793 13.871 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.935 -7.117 13.362 1.00 0.00 H new ATOM 363 N VAL A 25 -8.143 -8.078 14.813 1.00 0.00 N ATOM 364 CA VAL A 25 -7.409 -7.433 15.894 1.00 0.00 C ATOM 365 C VAL A 25 -6.009 -7.035 15.440 1.00 0.00 C ATOM 366 O VAL A 25 -5.584 -5.895 15.636 1.00 0.00 O ATOM 367 CB VAL A 25 -7.303 -8.351 17.137 1.00 0.00 C ATOM 368 CG1 VAL A 25 -6.367 -7.755 18.183 1.00 0.00 C ATOM 369 CG2 VAL A 25 -8.676 -8.595 17.735 1.00 0.00 C ATOM 0 H VAL A 25 -8.408 -9.046 14.997 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.967 -6.538 16.168 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.886 -9.305 16.815 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.312 -8.421 19.044 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.372 -7.634 17.754 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.747 -6.783 18.499 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.583 -9.242 18.607 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.117 -7.644 18.034 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.316 -9.075 16.994 1.00 0.00 H new ATOM 379 N GLU A 26 -5.312 -7.972 14.803 1.00 0.00 N ATOM 380 CA GLU A 26 -3.959 -7.737 14.309 1.00 0.00 C ATOM 381 C GLU A 26 -3.974 -6.669 13.249 1.00 0.00 C ATOM 382 O GLU A 26 -3.123 -5.789 13.222 1.00 0.00 O ATOM 383 CB GLU A 26 -3.418 -9.028 13.714 1.00 0.00 C ATOM 384 CG GLU A 26 -3.192 -10.123 14.730 1.00 0.00 C ATOM 385 CD GLU A 26 -2.929 -11.452 14.078 1.00 0.00 C ATOM 386 OE1 GLU A 26 -3.910 -12.113 13.672 1.00 0.00 O ATOM 387 OE2 GLU A 26 -1.755 -11.845 13.963 1.00 0.00 O ATOM 0 H GLU A 26 -5.667 -8.910 14.616 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.326 -7.410 15.134 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.114 -9.387 12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.477 -8.816 13.207 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.348 -9.858 15.366 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.066 -10.203 15.377 1.00 0.00 H new ATOM 394 N ILE A 27 -4.968 -6.746 12.402 1.00 0.00 N ATOM 395 CA ILE A 27 -5.134 -5.824 11.311 1.00 0.00 C ATOM 396 C ILE A 27 -5.341 -4.395 11.813 1.00 0.00 C ATOM 397 O ILE A 27 -4.682 -3.457 11.350 1.00 0.00 O ATOM 398 CB ILE A 27 -6.331 -6.264 10.437 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.977 -7.557 9.682 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.736 -5.160 9.469 1.00 0.00 C ATOM 401 CD1 ILE A 27 -7.158 -8.228 9.009 1.00 0.00 C ATOM 0 H ILE A 27 -5.694 -7.461 12.452 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.223 -5.834 10.713 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.185 -6.459 11.086 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.225 -7.329 8.927 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.524 -8.260 10.381 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.580 -5.496 8.867 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.022 -4.271 10.031 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.896 -4.922 8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.822 -9.131 8.500 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.903 -8.491 9.760 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.599 -7.545 8.283 1.00 0.00 H new ATOM 413 N LYS A 28 -6.240 -4.238 12.762 1.00 0.00 N ATOM 414 CA LYS A 28 -6.542 -2.959 13.301 1.00 0.00 C ATOM 415 C LYS A 28 -5.378 -2.360 14.074 1.00 0.00 C ATOM 416 O LYS A 28 -5.044 -1.199 13.877 1.00 0.00 O ATOM 417 CB LYS A 28 -7.798 -3.038 14.145 1.00 0.00 C ATOM 418 CG LYS A 28 -8.218 -1.721 14.729 1.00 0.00 C ATOM 419 CD LYS A 28 -9.540 -1.837 15.451 1.00 0.00 C ATOM 420 CE LYS A 28 -10.675 -2.128 14.471 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.991 -2.226 15.144 1.00 0.00 N ATOM 0 H LYS A 28 -6.774 -5.004 13.172 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.723 -2.280 12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.611 -3.430 13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.636 -3.749 14.955 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.453 -1.367 15.421 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.299 -0.978 13.935 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.484 -2.632 16.194 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.747 -0.912 15.989 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.713 -1.340 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.468 -3.061 13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.728 -2.424 14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.967 -2.995 15.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.203 -1.328 15.623 1.00 0.00 H new ATOM 435 N LYS A 29 -4.745 -3.154 14.934 1.00 0.00 N ATOM 436 CA LYS A 29 -3.626 -2.644 15.715 1.00 0.00 C ATOM 437 C LYS A 29 -2.470 -2.279 14.806 1.00 0.00 C ATOM 438 O LYS A 29 -1.722 -1.354 15.082 1.00 0.00 O ATOM 439 CB LYS A 29 -3.176 -3.634 16.793 1.00 0.00 C ATOM 440 CG LYS A 29 -2.686 -4.961 16.254 1.00 0.00 C ATOM 441 CD LYS A 29 -2.153 -5.855 17.366 1.00 0.00 C ATOM 442 CE LYS A 29 -0.901 -5.255 18.005 1.00 0.00 C ATOM 443 NZ LYS A 29 -0.320 -6.140 19.043 1.00 0.00 N ATOM 0 H LYS A 29 -4.982 -4.131 15.104 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.969 -1.746 16.228 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.379 -3.177 17.380 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.008 -3.816 17.473 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.501 -5.468 15.738 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.901 -4.788 15.518 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.922 -5.992 18.126 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.922 -6.842 16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.156 -5.067 17.232 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.149 -4.291 18.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.526 -5.691 19.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.020 -6.299 19.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.058 -7.051 18.615 1.00 0.00 H new ATOM 457 N ALA A 30 -2.335 -3.019 13.726 1.00 0.00 N ATOM 458 CA ALA A 30 -1.327 -2.748 12.727 1.00 0.00 C ATOM 459 C ALA A 30 -1.580 -1.420 12.085 1.00 0.00 C ATOM 460 O ALA A 30 -0.656 -0.654 11.843 1.00 0.00 O ATOM 461 CB ALA A 30 -1.298 -3.836 11.686 1.00 0.00 C ATOM 0 H ALA A 30 -2.923 -3.826 13.517 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.355 -2.722 13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.531 -3.610 10.945 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.072 -4.790 12.163 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.270 -3.897 11.196 1.00 0.00 H new ATOM 467 N TYR A 31 -2.840 -1.145 11.804 1.00 0.00 N ATOM 468 CA TYR A 31 -3.237 0.136 11.283 1.00 0.00 C ATOM 469 C TYR A 31 -2.919 1.208 12.283 1.00 0.00 C ATOM 470 O TYR A 31 -2.344 2.231 11.948 1.00 0.00 O ATOM 471 CB TYR A 31 -4.726 0.153 10.951 1.00 0.00 C ATOM 472 CG TYR A 31 -5.274 1.547 10.673 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.972 2.220 9.496 1.00 0.00 C ATOM 474 CD2 TYR A 31 -6.093 2.185 11.598 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.472 3.489 9.251 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.595 3.449 11.360 1.00 0.00 C ATOM 477 CZ TYR A 31 -6.283 4.097 10.188 1.00 0.00 C ATOM 478 OH TYR A 31 -6.785 5.359 9.947 1.00 0.00 O ATOM 0 H TYR A 31 -3.608 -1.804 11.932 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.683 0.323 10.363 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.902 -0.478 10.080 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -5.280 -0.287 11.781 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.338 1.747 8.761 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.341 1.682 12.521 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.228 4.000 8.331 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.230 3.927 12.091 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.338 5.641 10.705 1.00 0.00 H new ATOM 488 N ARG A 32 -3.296 0.952 13.523 1.00 0.00 N ATOM 489 CA ARG A 32 -3.107 1.903 14.593 1.00 0.00 C ATOM 490 C ARG A 32 -1.640 2.214 14.784 1.00 0.00 C ATOM 491 O ARG A 32 -1.266 3.367 14.929 1.00 0.00 O ATOM 492 CB ARG A 32 -3.692 1.328 15.875 1.00 0.00 C ATOM 493 CG ARG A 32 -5.166 1.032 15.743 1.00 0.00 C ATOM 494 CD ARG A 32 -5.956 2.301 15.529 1.00 0.00 C ATOM 495 NE ARG A 32 -7.360 2.030 15.210 1.00 0.00 N ATOM 496 CZ ARG A 32 -8.179 2.907 14.613 1.00 0.00 C ATOM 497 NH1 ARG A 32 -7.780 4.152 14.391 1.00 0.00 N ATOM 498 NH2 ARG A 32 -9.407 2.542 14.256 1.00 0.00 N ATOM 0 H ARG A 32 -3.740 0.080 13.812 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.616 2.832 14.338 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.161 0.413 16.137 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.536 2.032 16.692 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.330 0.352 14.907 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.521 0.526 16.641 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.901 2.917 16.426 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.505 2.876 14.720 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.738 1.116 15.458 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.846 4.446 14.675 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.407 4.815 13.936 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.729 1.591 14.436 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.027 3.213 13.802 1.00 0.00 H new ATOM 512 N LYS A 33 -0.806 1.193 14.749 1.00 0.00 N ATOM 513 CA LYS A 33 0.613 1.412 14.912 1.00 0.00 C ATOM 514 C LYS A 33 1.187 2.087 13.680 1.00 0.00 C ATOM 515 O LYS A 33 1.915 3.039 13.798 1.00 0.00 O ATOM 516 CB LYS A 33 1.358 0.103 15.222 1.00 0.00 C ATOM 517 CG LYS A 33 1.558 -0.807 14.023 1.00 0.00 C ATOM 518 CD LYS A 33 2.288 -2.092 14.389 1.00 0.00 C ATOM 519 CE LYS A 33 2.402 -3.033 13.186 1.00 0.00 C ATOM 520 NZ LYS A 33 3.176 -2.433 12.069 1.00 0.00 N ATOM 0 H LYS A 33 -1.082 0.221 14.612 1.00 0.00 H new ATOM 0 HA LYS A 33 0.754 2.072 15.768 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.333 0.346 15.644 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.806 -0.442 15.988 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.588 -1.053 13.591 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.123 -0.276 13.257 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.284 -1.853 14.761 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.758 -2.595 15.198 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.880 -3.961 13.498 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.403 -3.292 12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.544 -3.189 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.557 -1.808 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.969 -1.881 12.453 1.00 0.00 H new ATOM 534 N CYS A 34 0.802 1.628 12.497 1.00 0.00 N ATOM 535 CA CYS A 34 1.338 2.208 11.270 1.00 0.00 C ATOM 536 C CYS A 34 0.957 3.680 11.153 1.00 0.00 C ATOM 537 O CYS A 34 1.793 4.524 10.816 1.00 0.00 O ATOM 538 CB CYS A 34 0.847 1.436 10.044 1.00 0.00 C ATOM 539 SG CYS A 34 1.530 -0.233 9.895 1.00 0.00 S ATOM 0 H CYS A 34 0.133 0.870 12.359 1.00 0.00 H new ATOM 0 HA CYS A 34 2.425 2.135 11.313 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.240 1.369 10.082 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.100 2.001 9.147 1.00 0.00 H new ATOM 0 HG CYS A 34 0.880 -1.040 10.680 1.00 0.00 H new ATOM 545 N ALA A 35 -0.300 3.983 11.449 1.00 0.00 N ATOM 546 CA ALA A 35 -0.781 5.345 11.398 1.00 0.00 C ATOM 547 C ALA A 35 -0.123 6.209 12.466 1.00 0.00 C ATOM 548 O ALA A 35 0.392 7.256 12.174 1.00 0.00 O ATOM 549 CB ALA A 35 -2.294 5.371 11.557 1.00 0.00 C ATOM 0 H ALA A 35 -1.002 3.297 11.727 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.515 5.759 10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.646 6.402 11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.754 4.799 10.752 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.567 4.931 12.516 1.00 0.00 H new ATOM 555 N LEU A 36 -0.117 5.732 13.700 1.00 0.00 N ATOM 556 CA LEU A 36 0.462 6.494 14.798 1.00 0.00 C ATOM 557 C LEU A 36 1.957 6.696 14.624 1.00 0.00 C ATOM 558 O LEU A 36 2.491 7.765 14.919 1.00 0.00 O ATOM 559 CB LEU A 36 0.169 5.829 16.139 1.00 0.00 C ATOM 560 CG LEU A 36 -1.292 5.853 16.584 1.00 0.00 C ATOM 561 CD1 LEU A 36 -1.480 5.041 17.856 1.00 0.00 C ATOM 562 CD2 LEU A 36 -1.763 7.280 16.786 1.00 0.00 C ATOM 0 H LEU A 36 -0.504 4.827 13.967 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.008 7.477 14.785 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.497 4.791 16.089 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.771 6.317 16.905 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.897 5.400 15.799 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.528 5.071 18.156 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.184 4.008 17.675 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.863 5.461 18.650 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.806 7.278 17.103 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.153 7.760 17.551 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.670 7.830 15.850 1.00 0.00 H new ATOM 574 N LYS A 37 2.629 5.670 14.166 1.00 0.00 N ATOM 575 CA LYS A 37 4.060 5.722 13.965 1.00 0.00 C ATOM 576 C LYS A 37 4.472 6.678 12.831 1.00 0.00 C ATOM 577 O LYS A 37 5.481 7.366 12.946 1.00 0.00 O ATOM 578 CB LYS A 37 4.607 4.312 13.716 1.00 0.00 C ATOM 579 CG LYS A 37 4.540 3.408 14.949 1.00 0.00 C ATOM 580 CD LYS A 37 4.888 1.969 14.624 1.00 0.00 C ATOM 581 CE LYS A 37 6.341 1.819 14.191 1.00 0.00 C ATOM 582 NZ LYS A 37 7.286 2.169 15.282 1.00 0.00 N ATOM 0 H LYS A 37 2.203 4.776 13.922 1.00 0.00 H new ATOM 0 HA LYS A 37 4.499 6.124 14.878 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.044 3.850 12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.643 4.385 13.384 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.225 3.783 15.710 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.537 3.450 15.374 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.704 1.345 15.498 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.234 1.608 13.831 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.520 0.792 13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.530 2.458 13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.245 1.864 15.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.279 3.198 15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.997 1.690 16.159 1.00 0.00 H new ATOM 596 N TYR A 38 3.709 6.697 11.730 1.00 0.00 N ATOM 597 CA TYR A 38 4.074 7.522 10.567 1.00 0.00 C ATOM 598 C TYR A 38 2.983 8.504 10.100 1.00 0.00 C ATOM 599 O TYR A 38 2.949 8.870 8.936 1.00 0.00 O ATOM 600 CB TYR A 38 4.493 6.601 9.420 1.00 0.00 C ATOM 601 CG TYR A 38 5.774 5.838 9.707 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.740 4.583 10.305 1.00 0.00 C ATOM 603 CD2 TYR A 38 7.013 6.381 9.393 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.904 3.891 10.581 1.00 0.00 C ATOM 605 CE2 TYR A 38 8.182 5.693 9.662 1.00 0.00 C ATOM 606 CZ TYR A 38 8.122 4.450 10.257 1.00 0.00 C ATOM 607 OH TYR A 38 9.285 3.765 10.532 1.00 0.00 O ATOM 0 H TYR A 38 2.849 6.161 11.619 1.00 0.00 H new ATOM 0 HA TYR A 38 4.900 8.158 10.885 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.691 5.891 9.221 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.625 7.194 8.515 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.787 4.141 10.558 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.064 7.356 8.931 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.860 2.918 11.048 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.138 6.127 9.407 1.00 0.00 H new ATOM 0 HH TYR A 38 10.055 4.297 10.240 1.00 0.00 H new ATOM 617 N HIS A 39 2.121 8.943 10.989 1.00 0.00 N ATOM 618 CA HIS A 39 1.077 9.905 10.590 1.00 0.00 C ATOM 619 C HIS A 39 1.676 11.284 10.294 1.00 0.00 C ATOM 620 O HIS A 39 2.518 11.769 11.038 1.00 0.00 O ATOM 621 CB HIS A 39 -0.043 10.016 11.648 1.00 0.00 C ATOM 622 CG HIS A 39 0.404 10.452 13.017 1.00 0.00 C ATOM 623 ND1 HIS A 39 -0.453 10.997 13.944 1.00 0.00 N ATOM 624 CD2 HIS A 39 1.610 10.377 13.628 1.00 0.00 C ATOM 625 CE1 HIS A 39 0.202 11.234 15.060 1.00 0.00 C ATOM 626 NE2 HIS A 39 1.454 10.864 14.897 1.00 0.00 N ATOM 0 H HIS A 39 2.106 8.668 11.971 1.00 0.00 H new ATOM 0 HA HIS A 39 0.628 9.521 9.674 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.792 10.721 11.287 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.534 9.047 11.736 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -1.443 11.188 13.790 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.525 10.002 13.194 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.218 11.661 15.959 1.00 0.00 H new ATOM 634 N PRO A 40 1.195 11.952 9.232 1.00 0.00 N ATOM 635 CA PRO A 40 1.722 13.263 8.788 1.00 0.00 C ATOM 636 C PRO A 40 1.558 14.369 9.834 1.00 0.00 C ATOM 637 O PRO A 40 2.253 15.386 9.790 1.00 0.00 O ATOM 638 CB PRO A 40 0.886 13.576 7.539 1.00 0.00 C ATOM 639 CG PRO A 40 -0.333 12.729 7.670 1.00 0.00 C ATOM 640 CD PRO A 40 0.112 11.477 8.356 1.00 0.00 C ATOM 0 HA PRO A 40 2.796 13.219 8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.628 14.634 7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.435 13.340 6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.103 13.239 8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.762 12.508 6.693 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.697 11.018 8.925 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.465 10.730 7.645 1.00 0.00 H new ATOM 648 N ASP A 41 0.641 14.165 10.769 1.00 0.00 N ATOM 649 CA ASP A 41 0.386 15.135 11.837 1.00 0.00 C ATOM 650 C ASP A 41 1.582 15.319 12.762 1.00 0.00 C ATOM 651 O ASP A 41 1.761 16.387 13.343 1.00 0.00 O ATOM 652 CB ASP A 41 -0.848 14.752 12.647 1.00 0.00 C ATOM 653 CG ASP A 41 -2.135 15.046 11.916 1.00 0.00 C ATOM 654 OD1 ASP A 41 -2.568 16.215 11.925 1.00 0.00 O ATOM 655 OD2 ASP A 41 -2.723 14.119 11.328 1.00 0.00 O ATOM 0 H ASP A 41 0.055 13.332 10.814 1.00 0.00 H new ATOM 0 HA ASP A 41 0.205 16.090 11.344 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.805 13.690 12.887 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.840 15.293 13.593 1.00 0.00 H new ATOM 660 N LYS A 42 2.404 14.293 12.897 1.00 0.00 N ATOM 661 CA LYS A 42 3.556 14.365 13.790 1.00 0.00 C ATOM 662 C LYS A 42 4.821 13.903 13.074 1.00 0.00 C ATOM 663 O LYS A 42 5.942 14.168 13.518 1.00 0.00 O ATOM 664 CB LYS A 42 3.314 13.559 15.067 1.00 0.00 C ATOM 665 CG LYS A 42 2.204 14.122 15.943 1.00 0.00 C ATOM 666 CD LYS A 42 2.027 13.307 17.214 1.00 0.00 C ATOM 667 CE LYS A 42 0.893 13.845 18.073 1.00 0.00 C ATOM 668 NZ LYS A 42 1.154 15.225 18.555 1.00 0.00 N ATOM 0 H LYS A 42 2.300 13.405 12.406 1.00 0.00 H new ATOM 0 HA LYS A 42 3.696 15.406 14.082 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.067 12.532 14.797 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.238 13.523 15.644 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.433 15.156 16.202 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.268 14.133 15.384 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.826 12.268 16.955 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.955 13.319 17.786 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.032 13.833 17.497 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.745 13.186 18.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.432 15.491 19.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.095 15.267 18.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.118 15.886 17.753 1.00 0.00 H new ATOM 682 N ASN A 43 4.630 13.202 11.975 1.00 0.00 N ATOM 683 CA ASN A 43 5.714 12.743 11.138 1.00 0.00 C ATOM 684 C ASN A 43 5.674 13.523 9.831 1.00 0.00 C ATOM 685 O ASN A 43 4.808 13.297 8.994 1.00 0.00 O ATOM 686 CB ASN A 43 5.570 11.240 10.885 1.00 0.00 C ATOM 687 CG ASN A 43 5.627 10.441 12.172 1.00 0.00 C ATOM 688 OD1 ASN A 43 4.615 10.245 12.847 1.00 0.00 O ATOM 689 ND2 ASN A 43 6.807 9.972 12.522 1.00 0.00 N ATOM 0 H ASN A 43 3.706 12.933 11.636 1.00 0.00 H new ATOM 0 HA ASN A 43 6.673 12.910 11.627 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.624 11.046 10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.363 10.907 10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.905 9.426 13.378 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.622 10.155 11.937 1.00 0.00 H new ATOM 696 N PRO A 44 6.608 14.468 9.656 1.00 0.00 N ATOM 697 CA PRO A 44 6.620 15.381 8.502 1.00 0.00 C ATOM 698 C PRO A 44 7.063 14.744 7.186 1.00 0.00 C ATOM 699 O PRO A 44 6.945 15.365 6.125 1.00 0.00 O ATOM 700 CB PRO A 44 7.603 16.464 8.929 1.00 0.00 C ATOM 701 CG PRO A 44 8.550 15.764 9.835 1.00 0.00 C ATOM 702 CD PRO A 44 7.735 14.736 10.575 1.00 0.00 C ATOM 0 HA PRO A 44 5.613 15.736 8.281 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.118 16.894 8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.096 17.283 9.439 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.353 15.292 9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.017 16.464 10.528 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.313 13.834 10.776 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.388 15.114 11.537 1.00 0.00 H new ATOM 710 N SER A 45 7.589 13.539 7.237 1.00 0.00 N ATOM 711 CA SER A 45 8.045 12.889 6.041 1.00 0.00 C ATOM 712 C SER A 45 6.895 12.502 5.134 1.00 0.00 C ATOM 713 O SER A 45 5.899 11.925 5.573 1.00 0.00 O ATOM 714 CB SER A 45 8.906 11.691 6.382 1.00 0.00 C ATOM 715 OG SER A 45 8.578 11.163 7.659 1.00 0.00 O ATOM 0 H SER A 45 7.708 12.997 8.093 1.00 0.00 H new ATOM 0 HA SER A 45 8.656 13.603 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.775 10.919 5.623 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.957 11.980 6.365 1.00 0.00 H new ATOM 0 HG SER A 45 9.149 10.390 7.850 1.00 0.00 H new ATOM 721 N GLU A 46 7.042 12.833 3.863 1.00 0.00 N ATOM 722 CA GLU A 46 6.026 12.537 2.867 1.00 0.00 C ATOM 723 C GLU A 46 5.833 11.040 2.738 1.00 0.00 C ATOM 724 O GLU A 46 4.731 10.563 2.542 1.00 0.00 O ATOM 725 CB GLU A 46 6.416 13.148 1.522 1.00 0.00 C ATOM 726 CG GLU A 46 7.704 12.596 0.933 1.00 0.00 C ATOM 727 CD GLU A 46 8.196 13.394 -0.248 1.00 0.00 C ATOM 728 OE1 GLU A 46 7.576 13.322 -1.325 1.00 0.00 O ATOM 729 OE2 GLU A 46 9.221 14.093 -0.104 1.00 0.00 O ATOM 0 H GLU A 46 7.863 13.312 3.493 1.00 0.00 H new ATOM 0 HA GLU A 46 5.081 12.976 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.606 12.982 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.518 14.226 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.475 12.584 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.544 11.562 0.626 1.00 0.00 H new ATOM 736 N GLU A 47 6.922 10.318 2.878 1.00 0.00 N ATOM 737 CA GLU A 47 6.919 8.869 2.837 1.00 0.00 C ATOM 738 C GLU A 47 6.093 8.312 3.967 1.00 0.00 C ATOM 739 O GLU A 47 5.386 7.322 3.803 1.00 0.00 O ATOM 740 CB GLU A 47 8.329 8.358 2.960 1.00 0.00 C ATOM 741 CG GLU A 47 9.198 8.678 1.767 1.00 0.00 C ATOM 742 CD GLU A 47 10.588 8.128 1.910 1.00 0.00 C ATOM 743 OE1 GLU A 47 11.422 8.769 2.583 1.00 0.00 O ATOM 744 OE2 GLU A 47 10.864 7.051 1.344 1.00 0.00 O ATOM 0 H GLU A 47 7.846 10.723 3.025 1.00 0.00 H new ATOM 0 HA GLU A 47 6.488 8.549 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.784 8.784 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.303 7.277 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.739 8.270 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.249 9.759 1.637 1.00 0.00 H new ATOM 751 N ALA A 48 6.207 8.943 5.121 1.00 0.00 N ATOM 752 CA ALA A 48 5.442 8.542 6.286 1.00 0.00 C ATOM 753 C ALA A 48 3.979 8.693 5.989 1.00 0.00 C ATOM 754 O ALA A 48 3.164 7.825 6.299 1.00 0.00 O ATOM 755 CB ALA A 48 5.839 9.377 7.493 1.00 0.00 C ATOM 0 H ALA A 48 6.825 9.739 5.276 1.00 0.00 H new ATOM 0 HA ALA A 48 5.652 7.498 6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.256 9.064 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.900 9.237 7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.646 10.430 7.287 1.00 0.00 H new ATOM 761 N ALA A 49 3.675 9.778 5.342 1.00 0.00 N ATOM 762 CA ALA A 49 2.320 10.079 4.914 1.00 0.00 C ATOM 763 C ALA A 49 1.841 9.032 3.914 1.00 0.00 C ATOM 764 O ALA A 49 0.682 8.611 3.936 1.00 0.00 O ATOM 765 CB ALA A 49 2.242 11.475 4.314 1.00 0.00 C ATOM 0 H ALA A 49 4.358 10.492 5.089 1.00 0.00 H new ATOM 0 HA ALA A 49 1.666 10.052 5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.218 11.679 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.546 12.209 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.905 11.538 3.451 1.00 0.00 H new ATOM 771 N GLU A 50 2.753 8.617 3.034 1.00 0.00 N ATOM 772 CA GLU A 50 2.455 7.597 2.036 1.00 0.00 C ATOM 773 C GLU A 50 2.096 6.303 2.739 1.00 0.00 C ATOM 774 O GLU A 50 1.144 5.612 2.369 1.00 0.00 O ATOM 775 CB GLU A 50 3.684 7.335 1.172 1.00 0.00 C ATOM 776 CG GLU A 50 4.207 8.547 0.443 1.00 0.00 C ATOM 777 CD GLU A 50 5.287 8.193 -0.553 1.00 0.00 C ATOM 778 OE1 GLU A 50 6.411 7.864 -0.128 1.00 0.00 O ATOM 779 OE2 GLU A 50 5.010 8.226 -1.771 1.00 0.00 O ATOM 0 H GLU A 50 3.707 8.975 2.995 1.00 0.00 H new ATOM 0 HA GLU A 50 1.629 7.945 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.478 6.936 1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.441 6.564 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.385 9.040 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.602 9.261 1.166 1.00 0.00 H new ATOM 786 N LYS A 51 2.869 5.999 3.768 1.00 0.00 N ATOM 787 CA LYS A 51 2.671 4.807 4.578 1.00 0.00 C ATOM 788 C LYS A 51 1.322 4.847 5.262 1.00 0.00 C ATOM 789 O LYS A 51 0.622 3.835 5.348 1.00 0.00 O ATOM 790 CB LYS A 51 3.766 4.717 5.627 1.00 0.00 C ATOM 791 CG LYS A 51 5.137 4.427 5.058 1.00 0.00 C ATOM 792 CD LYS A 51 6.197 4.460 6.139 1.00 0.00 C ATOM 793 CE LYS A 51 5.958 3.377 7.182 1.00 0.00 C ATOM 794 NZ LYS A 51 5.957 2.016 6.579 1.00 0.00 N ATOM 0 H LYS A 51 3.656 6.575 4.067 1.00 0.00 H new ATOM 0 HA LYS A 51 2.709 3.933 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.804 5.656 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.507 3.936 6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.135 3.449 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.376 5.160 4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.181 4.325 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.198 5.438 6.621 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.731 3.434 7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.004 3.555 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.047 1.303 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.066 1.865 6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.757 1.927 5.921 1.00 0.00 H new ATOM 808 N PHE A 52 0.971 6.024 5.740 1.00 0.00 N ATOM 809 CA PHE A 52 -0.302 6.259 6.383 1.00 0.00 C ATOM 810 C PHE A 52 -1.442 5.928 5.411 1.00 0.00 C ATOM 811 O PHE A 52 -2.405 5.241 5.767 1.00 0.00 O ATOM 812 CB PHE A 52 -0.386 7.719 6.845 1.00 0.00 C ATOM 813 CG PHE A 52 -1.687 8.083 7.512 1.00 0.00 C ATOM 814 CD1 PHE A 52 -1.868 7.878 8.867 1.00 0.00 C ATOM 815 CD2 PHE A 52 -2.730 8.623 6.774 1.00 0.00 C ATOM 816 CE1 PHE A 52 -3.065 8.206 9.476 1.00 0.00 C ATOM 817 CE2 PHE A 52 -3.926 8.953 7.379 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.094 8.743 8.731 1.00 0.00 C ATOM 0 H PHE A 52 1.568 6.850 5.692 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.395 5.614 7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.432 7.917 7.538 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.238 8.370 5.983 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.066 7.457 9.456 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.605 8.787 5.714 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.194 8.042 10.536 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.729 9.375 6.794 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.030 8.999 9.206 1.00 0.00 H new ATOM 828 N LYS A 53 -1.314 6.413 4.178 1.00 0.00 N ATOM 829 CA LYS A 53 -2.318 6.176 3.143 1.00 0.00 C ATOM 830 C LYS A 53 -2.468 4.680 2.860 1.00 0.00 C ATOM 831 O LYS A 53 -3.586 4.174 2.705 1.00 0.00 O ATOM 832 CB LYS A 53 -1.921 6.900 1.853 1.00 0.00 C ATOM 833 CG LYS A 53 -1.881 8.413 1.978 1.00 0.00 C ATOM 834 CD LYS A 53 -3.249 8.989 2.275 1.00 0.00 C ATOM 835 CE LYS A 53 -3.196 10.499 2.371 1.00 0.00 C ATOM 836 NZ LYS A 53 -4.525 11.083 2.653 1.00 0.00 N ATOM 0 H LYS A 53 -0.521 6.975 3.870 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.272 6.562 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.939 6.546 1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.625 6.630 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.188 8.694 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.498 8.844 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.948 8.696 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.626 8.575 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.499 10.788 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.811 10.908 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.444 12.118 2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.185 10.829 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.882 10.713 3.557 1.00 0.00 H new ATOM 850 N GLU A 54 -1.349 3.973 2.806 1.00 0.00 N ATOM 851 CA GLU A 54 -1.371 2.536 2.567 1.00 0.00 C ATOM 852 C GLU A 54 -2.028 1.815 3.717 1.00 0.00 C ATOM 853 O GLU A 54 -2.804 0.879 3.517 1.00 0.00 O ATOM 854 CB GLU A 54 0.030 2.006 2.395 1.00 0.00 C ATOM 855 CG GLU A 54 0.718 2.508 1.164 1.00 0.00 C ATOM 856 CD GLU A 54 2.123 1.965 1.039 1.00 0.00 C ATOM 857 OE1 GLU A 54 2.943 2.198 1.954 1.00 0.00 O ATOM 858 OE2 GLU A 54 2.406 1.285 0.028 1.00 0.00 O ATOM 0 H GLU A 54 -0.416 4.369 2.924 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.942 2.360 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.622 2.280 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.005 0.917 2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.140 2.224 0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.751 3.597 1.186 1.00 0.00 H new ATOM 865 N ALA A 55 -1.728 2.273 4.924 1.00 0.00 N ATOM 866 CA ALA A 55 -2.264 1.674 6.120 1.00 0.00 C ATOM 867 C ALA A 55 -3.768 1.806 6.143 1.00 0.00 C ATOM 868 O ALA A 55 -4.472 0.871 6.501 1.00 0.00 O ATOM 869 CB ALA A 55 -1.654 2.314 7.358 1.00 0.00 C ATOM 0 H ALA A 55 -1.109 3.066 5.093 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.008 0.614 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.071 1.849 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.573 2.172 7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.880 3.380 7.365 1.00 0.00 H new ATOM 875 N SER A 56 -4.259 2.971 5.732 1.00 0.00 N ATOM 876 CA SER A 56 -5.673 3.220 5.725 1.00 0.00 C ATOM 877 C SER A 56 -6.399 2.339 4.698 1.00 0.00 C ATOM 878 O SER A 56 -7.491 1.845 4.972 1.00 0.00 O ATOM 879 CB SER A 56 -5.963 4.713 5.499 1.00 0.00 C ATOM 880 OG SER A 56 -5.461 5.171 4.257 1.00 0.00 O ATOM 0 H SER A 56 -3.688 3.749 5.402 1.00 0.00 H new ATOM 0 HA SER A 56 -6.064 2.949 6.706 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.039 4.883 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.518 5.295 6.306 1.00 0.00 H new ATOM 0 HG SER A 56 -4.816 4.522 3.906 1.00 0.00 H new ATOM 886 N ALA A 57 -5.789 2.139 3.517 1.00 0.00 N ATOM 887 CA ALA A 57 -6.404 1.281 2.493 1.00 0.00 C ATOM 888 C ALA A 57 -6.362 -0.191 2.895 1.00 0.00 C ATOM 889 O ALA A 57 -7.336 -0.933 2.712 1.00 0.00 O ATOM 890 CB ALA A 57 -5.745 1.494 1.140 1.00 0.00 C ATOM 0 H ALA A 57 -4.893 2.549 3.253 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.452 1.568 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.217 0.848 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.860 2.535 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.685 1.251 1.209 1.00 0.00 H new ATOM 896 N ALA A 58 -5.239 -0.610 3.447 1.00 0.00 N ATOM 897 CA ALA A 58 -5.100 -1.963 3.918 1.00 0.00 C ATOM 898 C ALA A 58 -6.125 -2.209 4.989 1.00 0.00 C ATOM 899 O ALA A 58 -6.815 -3.205 4.981 1.00 0.00 O ATOM 900 CB ALA A 58 -3.702 -2.188 4.471 1.00 0.00 C ATOM 0 H ALA A 58 -4.412 -0.027 3.578 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.256 -2.656 3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.611 -3.215 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.967 -2.007 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.524 -1.503 5.300 1.00 0.00 H new ATOM 906 N TYR A 59 -6.246 -1.249 5.875 1.00 0.00 N ATOM 907 CA TYR A 59 -7.204 -1.296 6.950 1.00 0.00 C ATOM 908 C TYR A 59 -8.628 -1.355 6.429 1.00 0.00 C ATOM 909 O TYR A 59 -9.406 -2.151 6.884 1.00 0.00 O ATOM 910 CB TYR A 59 -7.016 -0.092 7.860 1.00 0.00 C ATOM 911 CG TYR A 59 -7.952 -0.023 9.047 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.768 -0.853 10.141 1.00 0.00 C ATOM 913 CD2 TYR A 59 -8.993 0.895 9.090 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.588 -0.774 11.241 1.00 0.00 C ATOM 915 CE2 TYR A 59 -9.826 0.974 10.192 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.615 0.137 11.264 1.00 0.00 C ATOM 917 OH TYR A 59 -10.428 0.218 12.371 1.00 0.00 O ATOM 0 H TYR A 59 -5.675 -0.404 5.868 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.030 -2.208 7.521 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.990 -0.092 8.228 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.142 0.814 7.267 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.965 -1.575 10.129 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.155 1.556 8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.425 -1.427 12.086 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.636 1.688 10.211 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.105 0.912 12.230 1.00 0.00 H new ATOM 927 N GLU A 60 -8.958 -0.522 5.454 1.00 0.00 N ATOM 928 CA GLU A 60 -10.335 -0.452 4.994 1.00 0.00 C ATOM 929 C GLU A 60 -10.832 -1.786 4.433 1.00 0.00 C ATOM 930 O GLU A 60 -12.012 -2.109 4.552 1.00 0.00 O ATOM 931 CB GLU A 60 -10.559 0.682 3.988 1.00 0.00 C ATOM 932 CG GLU A 60 -9.898 0.490 2.648 1.00 0.00 C ATOM 933 CD GLU A 60 -10.116 1.669 1.736 1.00 0.00 C ATOM 934 OE1 GLU A 60 -10.630 1.472 0.617 1.00 0.00 O ATOM 935 OE2 GLU A 60 -9.793 2.802 2.139 1.00 0.00 O ATOM 0 H GLU A 60 -8.308 0.102 4.976 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.931 -0.227 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.631 0.802 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.194 1.612 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.829 0.335 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.291 -0.411 2.176 1.00 0.00 H new ATOM 942 N ILE A 61 -9.940 -2.564 3.821 1.00 0.00 N ATOM 943 CA ILE A 61 -10.346 -3.852 3.296 1.00 0.00 C ATOM 944 C ILE A 61 -10.120 -4.960 4.303 1.00 0.00 C ATOM 945 O ILE A 61 -11.001 -5.761 4.561 1.00 0.00 O ATOM 946 CB ILE A 61 -9.657 -4.186 1.947 1.00 0.00 C ATOM 947 CG1 ILE A 61 -8.129 -4.089 2.058 1.00 0.00 C ATOM 948 CG2 ILE A 61 -10.178 -3.278 0.842 1.00 0.00 C ATOM 949 CD1 ILE A 61 -7.396 -4.545 0.819 1.00 0.00 C ATOM 0 H ILE A 61 -8.958 -2.327 3.682 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.416 -3.781 3.103 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.903 -5.217 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.855 -3.056 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.797 -4.688 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.683 -3.527 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -11.254 -3.417 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.971 -2.239 1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.322 -4.447 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.639 -5.588 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.697 -3.930 -0.029 1.00 0.00 H new ATOM 961 N LEU A 62 -8.934 -4.993 4.860 1.00 0.00 N ATOM 962 CA LEU A 62 -8.549 -6.018 5.814 1.00 0.00 C ATOM 963 C LEU A 62 -9.349 -5.960 7.131 1.00 0.00 C ATOM 964 O LEU A 62 -9.724 -6.996 7.669 1.00 0.00 O ATOM 965 CB LEU A 62 -7.059 -5.910 6.077 1.00 0.00 C ATOM 966 CG LEU A 62 -6.158 -6.162 4.862 1.00 0.00 C ATOM 967 CD1 LEU A 62 -4.696 -6.017 5.235 1.00 0.00 C ATOM 968 CD2 LEU A 62 -6.426 -7.528 4.247 1.00 0.00 C ATOM 0 H LEU A 62 -8.202 -4.309 4.667 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.785 -6.987 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.847 -4.914 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.793 -6.621 6.859 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.396 -5.408 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.077 -6.200 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.513 -5.008 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.446 -6.738 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.771 -7.675 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.234 -8.304 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.466 -7.584 3.924 1.00 0.00 H new ATOM 980 N SER A 63 -9.613 -4.754 7.631 1.00 0.00 N ATOM 981 CA SER A 63 -10.352 -4.580 8.896 1.00 0.00 C ATOM 982 C SER A 63 -11.813 -4.970 8.725 1.00 0.00 C ATOM 983 O SER A 63 -12.557 -5.095 9.697 1.00 0.00 O ATOM 984 CB SER A 63 -10.248 -3.140 9.400 1.00 0.00 C ATOM 985 OG SER A 63 -10.727 -3.014 10.731 1.00 0.00 O ATOM 0 H SER A 63 -9.330 -3.881 7.186 1.00 0.00 H new ATOM 0 HA SER A 63 -9.899 -5.238 9.638 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.209 -2.813 9.354 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.819 -2.483 8.744 1.00 0.00 H new ATOM 0 HG SER A 63 -10.289 -2.252 11.165 1.00 0.00 H new ATOM 991 N ASP A 64 -12.217 -5.134 7.492 1.00 0.00 N ATOM 992 CA ASP A 64 -13.553 -5.559 7.181 1.00 0.00 C ATOM 993 C ASP A 64 -13.483 -6.960 6.645 1.00 0.00 C ATOM 994 O ASP A 64 -13.145 -7.164 5.505 1.00 0.00 O ATOM 995 CB ASP A 64 -14.229 -4.619 6.170 1.00 0.00 C ATOM 996 CG ASP A 64 -14.684 -3.300 6.773 1.00 0.00 C ATOM 997 OD1 ASP A 64 -15.910 -3.018 6.733 1.00 0.00 O ATOM 998 OD2 ASP A 64 -13.840 -2.537 7.285 1.00 0.00 O ATOM 0 H ASP A 64 -11.626 -4.976 6.676 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.161 -5.530 8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.534 -4.416 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.090 -5.126 5.735 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.809 -7.944 7.480 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.680 -9.369 7.150 1.00 0.00 C ATOM 1005 C PRO A 65 -14.357 -9.728 5.854 1.00 0.00 C ATOM 1006 O PRO A 65 -13.889 -10.591 5.119 1.00 0.00 O ATOM 1007 CB PRO A 65 -14.406 -10.057 8.293 1.00 0.00 C ATOM 1008 CG PRO A 65 -14.298 -9.116 9.425 1.00 0.00 C ATOM 1009 CD PRO A 65 -14.335 -7.742 8.829 1.00 0.00 C ATOM 0 HA PRO A 65 -12.635 -9.656 7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.448 -10.254 8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.949 -11.018 8.531 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.118 -9.258 10.129 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.372 -9.276 9.978 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.348 -7.340 8.809 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.724 -7.041 9.398 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.440 -9.057 5.569 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.206 -9.362 4.398 1.00 0.00 C ATOM 1019 C GLU A 66 -15.504 -8.818 3.176 1.00 0.00 C ATOM 1020 O GLU A 66 -15.466 -9.455 2.134 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.620 -8.826 4.534 1.00 0.00 C ATOM 1022 CG GLU A 66 -18.326 -9.361 5.772 1.00 0.00 C ATOM 1023 CD GLU A 66 -19.802 -9.059 5.791 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -20.575 -9.849 5.217 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -20.203 -8.037 6.395 1.00 0.00 O ATOM 0 H GLU A 66 -15.810 -8.294 6.135 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.286 -10.443 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.590 -7.737 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.194 -9.094 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.182 -10.440 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.863 -8.932 6.660 1.00 0.00 H new ATOM 1032 N LYS A 67 -14.904 -7.654 3.337 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.155 -7.018 2.297 1.00 0.00 C ATOM 1034 C LYS A 67 -12.889 -7.785 2.082 1.00 0.00 C ATOM 1035 O LYS A 67 -12.415 -7.937 0.978 1.00 0.00 O ATOM 1036 CB LYS A 67 -13.837 -5.587 2.704 1.00 0.00 C ATOM 1037 CG LYS A 67 -15.032 -4.646 2.691 1.00 0.00 C ATOM 1038 CD LYS A 67 -15.584 -4.478 1.280 1.00 0.00 C ATOM 1039 CE LYS A 67 -16.622 -3.368 1.211 1.00 0.00 C ATOM 1040 NZ LYS A 67 -16.027 -2.041 1.513 1.00 0.00 N ATOM 0 H LYS A 67 -14.930 -7.126 4.209 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.733 -7.000 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.408 -5.595 3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.073 -5.193 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.812 -5.035 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.738 -3.674 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.767 -4.256 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.031 -5.416 0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.069 -3.349 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.425 -3.576 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.651 -1.291 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.916 -1.936 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.096 -1.966 1.055 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.357 -8.241 3.177 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.152 -9.003 3.238 1.00 0.00 C ATOM 1056 C ARG A 68 -11.322 -10.331 2.504 1.00 0.00 C ATOM 1057 O ARG A 68 -10.460 -10.736 1.740 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.851 -9.239 4.714 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.411 -9.596 5.027 1.00 0.00 C ATOM 1060 CD ARG A 68 -9.177 -11.093 4.936 1.00 0.00 C ATOM 1061 NE ARG A 68 -7.804 -11.456 5.270 1.00 0.00 N ATOM 1062 CZ ARG A 68 -7.376 -11.697 6.510 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -8.204 -11.575 7.543 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -6.122 -12.062 6.719 1.00 0.00 N ATOM 0 H ARG A 68 -12.774 -8.082 4.094 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.331 -8.472 2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.116 -8.340 5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.495 -10.040 5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.748 -9.080 4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.158 -9.247 6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.862 -11.608 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.406 -11.434 3.927 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.130 -11.530 4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.173 -11.296 7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.870 -11.761 8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.481 -12.159 5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.796 -12.246 7.668 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.446 -10.998 2.746 1.00 0.00 N ATOM 1079 CA ASP A 69 -12.743 -12.264 2.080 1.00 0.00 C ATOM 1080 C ASP A 69 -12.896 -12.041 0.608 1.00 0.00 C ATOM 1081 O ASP A 69 -12.460 -12.852 -0.209 1.00 0.00 O ATOM 1082 CB ASP A 69 -13.988 -12.934 2.666 1.00 0.00 C ATOM 1083 CG ASP A 69 -13.745 -13.492 4.054 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -12.562 -13.731 4.407 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -14.720 -13.693 4.801 1.00 0.00 O ATOM 0 H ASP A 69 -13.166 -10.685 3.397 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.907 -12.942 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.802 -12.210 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.309 -13.739 2.005 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.521 -10.937 0.277 1.00 0.00 N ATOM 1091 CA ILE A 70 -13.663 -10.507 -1.089 1.00 0.00 C ATOM 1092 C ILE A 70 -12.281 -10.258 -1.696 1.00 0.00 C ATOM 1093 O ILE A 70 -11.968 -10.734 -2.791 1.00 0.00 O ATOM 1094 CB ILE A 70 -14.509 -9.218 -1.143 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -15.980 -9.512 -0.805 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -14.382 -8.509 -2.489 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -16.657 -10.475 -1.763 1.00 0.00 C ATOM 0 H ILE A 70 -13.949 -10.307 0.956 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.167 -11.284 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.116 -8.539 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -16.035 -9.922 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.534 -8.574 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -14.993 -7.607 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -13.340 -8.240 -2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -14.722 -9.173 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -17.691 -10.629 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -16.637 -10.060 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.130 -11.429 -1.753 1.00 0.00 H new ATOM 1109 N TYR A 71 -11.451 -9.551 -0.947 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.087 -9.246 -1.362 1.00 0.00 C ATOM 1111 C TYR A 71 -9.293 -10.514 -1.597 1.00 0.00 C ATOM 1112 O TYR A 71 -8.619 -10.631 -2.589 1.00 0.00 O ATOM 1113 CB TYR A 71 -9.389 -8.349 -0.331 1.00 0.00 C ATOM 1114 CG TYR A 71 -7.936 -8.051 -0.650 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -7.595 -7.192 -1.688 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -6.909 -8.621 0.094 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -6.272 -6.912 -1.977 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -5.584 -8.347 -0.189 1.00 0.00 C ATOM 1119 CZ TYR A 71 -5.272 -7.492 -1.225 1.00 0.00 C ATOM 1120 OH TYR A 71 -3.953 -7.207 -1.507 1.00 0.00 O ATOM 0 H TYR A 71 -11.701 -9.171 -0.034 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.138 -8.702 -2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.934 -7.408 -0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.444 -8.827 0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.376 -6.736 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.151 -9.289 0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.023 -6.243 -2.787 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.798 -8.800 0.397 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.373 -7.695 -0.886 1.00 0.00 H new