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= -4.97 K(o=-7,f=-5.2!) USER MOD Set 1.2: A 43 ASN : amide:sc= -2.02! K(o=-7!,f=-4.2) USER MOD Single : A 11 LYS NZ :NH3+ -134:sc= -0.0345 (180deg=-0.316) USER MOD Single : A 13 TYR OH : rot 30:sc= 0.526 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -74:sc= 1.16 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0403) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 160:sc= -1.1 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= -0.0617 (180deg=-0.35) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0034 USER MOD Single : A 51 LYS NZ :NH3+ -112:sc= -0.604 (180deg=-2.39!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -11:sc= 0.698 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.244 USER MOD Single : A 63 SER OG : rot 145:sc= 0.506 USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0356) USER MOD Single : A 71 TYR OH : rot 99:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 147 N LYS A 11 -1.022 -5.741 -1.541 1.00 0.00 N ATOM 148 CA LYS A 11 -0.170 -4.637 -1.113 1.00 0.00 C ATOM 149 C LYS A 11 -0.645 -4.023 0.178 1.00 0.00 C ATOM 150 O LYS A 11 0.141 -3.481 0.924 1.00 0.00 O ATOM 151 CB LYS A 11 -0.064 -3.582 -2.187 1.00 0.00 C ATOM 152 CG LYS A 11 0.696 -4.060 -3.399 1.00 0.00 C ATOM 153 CD LYS A 11 0.840 -2.979 -4.450 1.00 0.00 C ATOM 154 CE LYS A 11 1.622 -3.492 -5.649 1.00 0.00 C ATOM 155 NZ LYS A 11 2.994 -3.922 -5.268 1.00 0.00 N ATOM 0 HA LYS A 11 0.821 -5.055 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.065 -3.275 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.430 -2.701 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.685 -4.401 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.183 -4.919 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.146 -2.643 -4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.348 -2.115 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.090 -4.330 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.683 -2.710 -6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.680 -3.539 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.217 -3.567 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.046 -4.961 -5.271 1.00 0.00 H new ATOM 169 N PHE A 12 -1.925 -4.124 0.449 1.00 0.00 N ATOM 170 CA PHE A 12 -2.452 -3.606 1.692 1.00 0.00 C ATOM 171 C PHE A 12 -1.935 -4.411 2.869 1.00 0.00 C ATOM 172 O PHE A 12 -1.705 -3.862 3.951 1.00 0.00 O ATOM 173 CB PHE A 12 -3.976 -3.531 1.700 1.00 0.00 C ATOM 174 CG PHE A 12 -4.520 -2.282 1.063 1.00 0.00 C ATOM 175 CD1 PHE A 12 -5.467 -2.340 0.060 1.00 0.00 C ATOM 176 CD2 PHE A 12 -4.085 -1.041 1.496 1.00 0.00 C ATOM 177 CE1 PHE A 12 -5.973 -1.178 -0.496 1.00 0.00 C ATOM 178 CE2 PHE A 12 -4.579 0.117 0.945 1.00 0.00 C ATOM 179 CZ PHE A 12 -5.524 0.053 -0.048 1.00 0.00 C ATOM 0 H PHE A 12 -2.615 -4.555 -0.166 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.094 -2.581 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.377 -4.400 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.329 -3.587 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.815 -3.299 -0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.345 -0.982 2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.716 -1.231 -1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.224 1.076 1.293 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.917 0.962 -0.480 1.00 0.00 H new ATOM 189 N TYR A 13 -1.732 -5.712 2.655 1.00 0.00 N ATOM 190 CA TYR A 13 -1.193 -6.555 3.712 1.00 0.00 C ATOM 191 C TYR A 13 0.268 -6.168 3.923 1.00 0.00 C ATOM 192 O TYR A 13 0.736 -6.041 5.047 1.00 0.00 O ATOM 193 CB TYR A 13 -1.301 -8.064 3.368 1.00 0.00 C ATOM 194 CG TYR A 13 -2.713 -8.567 3.127 1.00 0.00 C ATOM 195 CD1 TYR A 13 -3.215 -8.661 1.840 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.531 -8.966 4.178 1.00 0.00 C ATOM 197 CE1 TYR A 13 -4.488 -9.139 1.596 1.00 0.00 C ATOM 198 CE2 TYR A 13 -4.812 -9.444 3.944 1.00 0.00 C ATOM 199 CZ TYR A 13 -5.282 -9.529 2.646 1.00 0.00 C ATOM 200 OH TYR A 13 -6.550 -10.013 2.401 1.00 0.00 O ATOM 0 H TYR A 13 -1.929 -6.193 1.777 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.774 -6.398 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.704 -8.262 2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.860 -8.639 4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.598 -8.354 1.009 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.164 -8.903 5.192 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.857 -9.206 0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.438 -9.748 4.770 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.568 -10.454 1.526 1.00 0.00 H new ATOM 210 N ASP A 14 0.969 -5.954 2.803 1.00 0.00 N ATOM 211 CA ASP A 14 2.371 -5.511 2.813 1.00 0.00 C ATOM 212 C ASP A 14 2.541 -4.167 3.488 1.00 0.00 C ATOM 213 O ASP A 14 3.474 -3.970 4.269 1.00 0.00 O ATOM 214 CB ASP A 14 2.909 -5.408 1.387 1.00 0.00 C ATOM 215 CG ASP A 14 3.258 -6.746 0.782 1.00 0.00 C ATOM 216 OD1 ASP A 14 4.397 -7.221 0.997 1.00 0.00 O ATOM 217 OD2 ASP A 14 2.405 -7.334 0.097 1.00 0.00 O ATOM 0 H ASP A 14 0.584 -6.082 1.867 1.00 0.00 H new ATOM 0 HA ASP A 14 2.929 -6.258 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.165 -4.917 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.796 -4.774 1.386 1.00 0.00 H new ATOM 222 N ILE A 15 1.646 -3.245 3.185 1.00 0.00 N ATOM 223 CA ILE A 15 1.688 -1.911 3.759 1.00 0.00 C ATOM 224 C ILE A 15 1.555 -1.940 5.287 1.00 0.00 C ATOM 225 O ILE A 15 2.356 -1.321 5.997 1.00 0.00 O ATOM 226 CB ILE A 15 0.598 -1.014 3.118 1.00 0.00 C ATOM 227 CG1 ILE A 15 0.970 -0.677 1.666 1.00 0.00 C ATOM 228 CG2 ILE A 15 0.345 0.248 3.932 1.00 0.00 C ATOM 229 CD1 ILE A 15 -0.143 0.002 0.891 1.00 0.00 C ATOM 0 H ILE A 15 0.873 -3.397 2.537 1.00 0.00 H new ATOM 0 HA ILE A 15 2.665 -1.483 3.535 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.336 -1.577 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.847 -0.030 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.251 -1.595 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.426 0.846 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.014 -0.026 4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.265 0.828 4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.194 0.208 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.015 -0.652 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.410 0.938 1.382 1.00 0.00 H new ATOM 241 N LEU A 16 0.560 -2.656 5.795 1.00 0.00 N ATOM 242 CA LEU A 16 0.427 -2.817 7.240 1.00 0.00 C ATOM 243 C LEU A 16 1.565 -3.661 7.819 1.00 0.00 C ATOM 244 O LEU A 16 1.956 -3.486 8.974 1.00 0.00 O ATOM 245 CB LEU A 16 -0.936 -3.408 7.628 1.00 0.00 C ATOM 246 CG LEU A 16 -2.159 -2.501 7.412 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.432 -3.242 7.773 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.035 -1.228 8.239 1.00 0.00 C ATOM 0 H LEU A 16 -0.155 -3.127 5.241 1.00 0.00 H new ATOM 0 HA LEU A 16 0.491 -1.819 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.086 -4.325 7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.900 -3.689 8.681 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.202 -2.224 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.290 -2.589 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.529 -4.127 7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.393 -3.544 8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.910 -0.599 8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.969 -1.486 9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.137 -0.687 7.941 1.00 0.00 H new ATOM 260 N GLY A 17 2.115 -4.543 7.002 1.00 0.00 N ATOM 261 CA GLY A 17 3.193 -5.402 7.454 1.00 0.00 C ATOM 262 C GLY A 17 2.682 -6.723 7.979 1.00 0.00 C ATOM 263 O GLY A 17 3.420 -7.491 8.594 1.00 0.00 O ATOM 0 H GLY A 17 1.835 -4.682 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.883 -5.582 6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.757 -4.895 8.237 1.00 0.00 H new ATOM 267 N VAL A 18 1.425 -6.981 7.719 1.00 0.00 N ATOM 268 CA VAL A 18 0.770 -8.198 8.152 1.00 0.00 C ATOM 269 C VAL A 18 0.777 -9.225 7.026 1.00 0.00 C ATOM 270 O VAL A 18 0.934 -8.862 5.857 1.00 0.00 O ATOM 271 CB VAL A 18 -0.690 -7.921 8.577 1.00 0.00 C ATOM 272 CG1 VAL A 18 -0.720 -7.019 9.783 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.486 -7.310 7.429 1.00 0.00 C ATOM 0 H VAL A 18 0.819 -6.349 7.196 1.00 0.00 H new ATOM 0 HA VAL A 18 1.319 -8.587 9.010 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.156 -8.871 8.840 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.754 -6.832 10.072 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.194 -7.498 10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.234 -6.074 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.510 -7.125 7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.025 -6.369 7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.493 -7.998 6.584 1.00 0.00 H new ATOM 283 N PRO A 19 0.627 -10.517 7.345 1.00 0.00 N ATOM 284 CA PRO A 19 0.553 -11.557 6.324 1.00 0.00 C ATOM 285 C PRO A 19 -0.750 -11.440 5.562 1.00 0.00 C ATOM 286 O PRO A 19 -1.668 -10.760 6.006 1.00 0.00 O ATOM 287 CB PRO A 19 0.559 -12.855 7.137 1.00 0.00 C ATOM 288 CG PRO A 19 -0.013 -12.463 8.450 1.00 0.00 C ATOM 289 CD PRO A 19 0.502 -11.074 8.712 1.00 0.00 C ATOM 0 HA PRO A 19 1.361 -11.499 5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.040 -13.629 6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.568 -13.253 7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.103 -12.480 8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.298 -13.152 9.235 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.188 -10.494 9.325 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.459 -11.087 9.234 1.00 0.00 H new ATOM 297 N VAL A 20 -0.850 -12.087 4.427 1.00 0.00 N ATOM 298 CA VAL A 20 -2.083 -12.040 3.674 1.00 0.00 C ATOM 299 C VAL A 20 -3.150 -12.870 4.387 1.00 0.00 C ATOM 300 O VAL A 20 -4.341 -12.751 4.117 1.00 0.00 O ATOM 301 CB VAL A 20 -1.887 -12.525 2.222 1.00 0.00 C ATOM 302 CG1 VAL A 20 -0.980 -11.567 1.476 1.00 0.00 C ATOM 303 CG2 VAL A 20 -1.292 -13.911 2.201 1.00 0.00 C ATOM 0 H VAL A 20 -0.106 -12.645 4.008 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.412 -11.002 3.620 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.861 -12.556 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.846 -11.916 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.429 -10.574 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.011 -11.521 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.161 -14.235 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.324 -13.899 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.960 -14.601 2.717 1.00 0.00 H new ATOM 313 N THR A 21 -2.684 -13.714 5.301 1.00 0.00 N ATOM 314 CA THR A 21 -3.537 -14.533 6.132 1.00 0.00 C ATOM 315 C THR A 21 -3.671 -13.892 7.525 1.00 0.00 C ATOM 316 O THR A 21 -3.915 -14.576 8.523 1.00 0.00 O ATOM 317 CB THR A 21 -2.909 -15.924 6.300 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.134 -16.244 5.127 1.00 0.00 O ATOM 319 CG2 THR A 21 -3.986 -16.982 6.497 1.00 0.00 C ATOM 0 H THR A 21 -1.689 -13.845 5.482 1.00 0.00 H new ATOM 0 HA THR A 21 -4.516 -14.616 5.660 1.00 0.00 H new ATOM 0 HB THR A 21 -2.267 -15.912 7.181 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.731 -17.131 5.233 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.519 -17.960 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.567 -16.748 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.645 -16.996 5.629 1.00 0.00 H new ATOM 327 N ALA A 22 -3.494 -12.581 7.580 1.00 0.00 N ATOM 328 CA ALA A 22 -3.527 -11.845 8.834 1.00 0.00 C ATOM 329 C ALA A 22 -4.877 -11.898 9.511 1.00 0.00 C ATOM 330 O ALA A 22 -5.922 -11.923 8.861 1.00 0.00 O ATOM 331 CB ALA A 22 -3.129 -10.404 8.613 1.00 0.00 C ATOM 0 H ALA A 22 -3.324 -11.999 6.760 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.810 -12.332 9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.159 -9.869 9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.119 -10.364 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.822 -9.939 7.912 1.00 0.00 H new ATOM 337 N THR A 23 -4.837 -11.909 10.820 1.00 0.00 N ATOM 338 CA THR A 23 -6.024 -11.889 11.627 1.00 0.00 C ATOM 339 C THR A 23 -6.342 -10.449 12.023 1.00 0.00 C ATOM 340 O THR A 23 -5.497 -9.562 11.871 1.00 0.00 O ATOM 341 CB THR A 23 -5.853 -12.763 12.891 1.00 0.00 C ATOM 342 OG1 THR A 23 -4.709 -12.322 13.640 1.00 0.00 O ATOM 343 CG2 THR A 23 -5.682 -14.229 12.516 1.00 0.00 C ATOM 0 H THR A 23 -3.970 -11.932 11.357 1.00 0.00 H new ATOM 0 HA THR A 23 -6.849 -12.301 11.045 1.00 0.00 H new ATOM 0 HB THR A 23 -6.751 -12.661 13.501 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.890 -12.597 13.178 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.563 -14.825 13.421 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.562 -14.570 11.970 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.798 -14.343 11.888 1.00 0.00 H new ATOM 351 N ASP A 24 -7.529 -10.228 12.564 1.00 0.00 N ATOM 352 CA ASP A 24 -7.991 -8.887 12.928 1.00 0.00 C ATOM 353 C ASP A 24 -7.044 -8.226 13.904 1.00 0.00 C ATOM 354 O ASP A 24 -6.776 -7.032 13.808 1.00 0.00 O ATOM 355 CB ASP A 24 -9.381 -8.961 13.563 1.00 0.00 C ATOM 356 CG ASP A 24 -10.447 -9.400 12.594 1.00 0.00 C ATOM 357 OD1 ASP A 24 -10.837 -8.597 11.736 1.00 0.00 O ATOM 358 OD2 ASP A 24 -10.891 -10.566 12.683 1.00 0.00 O ATOM 0 H ASP A 24 -8.202 -10.967 12.765 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.028 -8.294 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.354 -9.654 14.404 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.644 -7.982 13.965 1.00 0.00 H new ATOM 363 N VAL A 25 -6.532 -9.002 14.837 1.00 0.00 N ATOM 364 CA VAL A 25 -5.626 -8.484 15.847 1.00 0.00 C ATOM 365 C VAL A 25 -4.324 -7.989 15.212 1.00 0.00 C ATOM 366 O VAL A 25 -3.850 -6.898 15.518 1.00 0.00 O ATOM 367 CB VAL A 25 -5.311 -9.556 16.919 1.00 0.00 C ATOM 368 CG1 VAL A 25 -4.231 -9.076 17.883 1.00 0.00 C ATOM 369 CG2 VAL A 25 -6.574 -9.941 17.676 1.00 0.00 C ATOM 0 H VAL A 25 -6.728 -10.000 14.919 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.124 -7.644 16.331 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.930 -10.440 16.407 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.033 -9.851 18.623 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.317 -8.862 17.328 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.570 -8.171 18.387 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.333 -10.695 18.425 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.986 -9.060 18.168 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.308 -10.344 16.978 1.00 0.00 H new ATOM 379 N GLU A 26 -3.782 -8.789 14.296 1.00 0.00 N ATOM 380 CA GLU A 26 -2.522 -8.464 13.620 1.00 0.00 C ATOM 381 C GLU A 26 -2.707 -7.242 12.766 1.00 0.00 C ATOM 382 O GLU A 26 -1.871 -6.343 12.741 1.00 0.00 O ATOM 383 CB GLU A 26 -2.099 -9.643 12.752 1.00 0.00 C ATOM 384 CG GLU A 26 -1.751 -10.882 13.547 1.00 0.00 C ATOM 385 CD GLU A 26 -1.550 -12.084 12.667 1.00 0.00 C ATOM 386 OE1 GLU A 26 -2.546 -12.573 12.100 1.00 0.00 O ATOM 387 OE2 GLU A 26 -0.408 -12.555 12.549 1.00 0.00 O ATOM 0 H GLU A 26 -4.197 -9.673 14.002 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.749 -8.265 14.362 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.905 -9.881 12.058 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.237 -9.352 12.152 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.843 -10.699 14.122 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.547 -11.087 14.263 1.00 0.00 H new ATOM 394 N ILE A 27 -3.829 -7.216 12.103 1.00 0.00 N ATOM 395 CA ILE A 27 -4.214 -6.134 11.236 1.00 0.00 C ATOM 396 C ILE A 27 -4.370 -4.833 12.011 1.00 0.00 C ATOM 397 O ILE A 27 -3.834 -3.791 11.620 1.00 0.00 O ATOM 398 CB ILE A 27 -5.539 -6.492 10.522 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.289 -7.616 9.507 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.150 -5.270 9.846 1.00 0.00 C ATOM 401 CD1 ILE A 27 -6.551 -8.224 8.936 1.00 0.00 C ATOM 0 H ILE A 27 -4.520 -7.965 12.151 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.427 -5.987 10.496 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.255 -6.840 11.267 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.685 -7.224 8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.705 -8.401 9.987 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.080 -5.554 9.353 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.355 -4.505 10.594 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.453 -4.877 9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.288 -9.010 8.228 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.148 -8.648 9.743 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.127 -7.453 8.425 1.00 0.00 H new ATOM 413 N LYS A 28 -5.087 -4.901 13.112 1.00 0.00 N ATOM 414 CA LYS A 28 -5.336 -3.763 13.920 1.00 0.00 C ATOM 415 C LYS A 28 -4.071 -3.219 14.554 1.00 0.00 C ATOM 416 O LYS A 28 -3.841 -2.019 14.534 1.00 0.00 O ATOM 417 CB LYS A 28 -6.375 -4.099 14.965 1.00 0.00 C ATOM 418 CG LYS A 28 -6.757 -2.938 15.832 1.00 0.00 C ATOM 419 CD LYS A 28 -7.844 -3.323 16.810 1.00 0.00 C ATOM 420 CE LYS A 28 -9.144 -3.651 16.078 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.231 -4.025 17.006 1.00 0.00 N ATOM 0 H LYS A 28 -5.510 -5.762 13.460 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.720 -2.970 13.278 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.268 -4.479 14.468 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.996 -4.903 15.596 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.882 -2.584 16.377 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.100 -2.112 15.209 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.524 -4.185 17.395 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.013 -2.506 17.512 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.454 -2.788 15.488 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.968 -4.469 15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.092 -4.239 16.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.948 -4.864 17.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.419 -3.236 17.657 1.00 0.00 H new ATOM 435 N LYS A 29 -3.242 -4.098 15.102 1.00 0.00 N ATOM 436 CA LYS A 29 -2.023 -3.650 15.747 1.00 0.00 C ATOM 437 C LYS A 29 -1.033 -3.079 14.741 1.00 0.00 C ATOM 438 O LYS A 29 -0.268 -2.172 15.059 1.00 0.00 O ATOM 439 CB LYS A 29 -1.404 -4.741 16.629 1.00 0.00 C ATOM 440 CG LYS A 29 -0.946 -5.996 15.908 1.00 0.00 C ATOM 441 CD LYS A 29 -0.399 -7.004 16.925 1.00 0.00 C ATOM 442 CE LYS A 29 0.197 -8.245 16.275 1.00 0.00 C ATOM 443 NZ LYS A 29 1.443 -7.939 15.530 1.00 0.00 N ATOM 0 H LYS A 29 -3.390 -5.107 15.112 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.293 -2.834 16.418 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.549 -4.315 17.154 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.134 -5.026 17.386 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.778 -6.435 15.357 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.176 -5.747 15.178 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.363 -6.519 17.534 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.202 -7.304 17.598 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.407 -8.990 17.042 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.533 -8.684 15.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.879 -8.825 15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.219 -7.341 14.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.106 -7.436 16.154 1.00 0.00 H new ATOM 457 N ALA A 30 -1.047 -3.618 13.534 1.00 0.00 N ATOM 458 CA ALA A 30 -0.245 -3.091 12.447 1.00 0.00 C ATOM 459 C ALA A 30 -0.701 -1.692 12.106 1.00 0.00 C ATOM 460 O ALA A 30 0.112 -0.804 11.872 1.00 0.00 O ATOM 461 CB ALA A 30 -0.337 -3.984 11.234 1.00 0.00 C ATOM 0 H ALA A 30 -1.612 -4.429 13.282 1.00 0.00 H new ATOM 0 HA ALA A 30 0.797 -3.058 12.765 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.272 -3.570 10.430 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.025 -4.980 11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.375 -4.047 10.907 1.00 0.00 H new ATOM 467 N TYR A 31 -2.017 -1.499 12.084 1.00 0.00 N ATOM 468 CA TYR A 31 -2.592 -0.190 11.868 1.00 0.00 C ATOM 469 C TYR A 31 -2.183 0.730 12.984 1.00 0.00 C ATOM 470 O TYR A 31 -1.758 1.858 12.752 1.00 0.00 O ATOM 471 CB TYR A 31 -4.116 -0.258 11.768 1.00 0.00 C ATOM 472 CG TYR A 31 -4.778 1.110 11.808 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.688 1.986 10.733 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.484 1.525 12.933 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.281 3.234 10.778 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.082 2.768 12.984 1.00 0.00 C ATOM 477 CZ TYR A 31 -5.976 3.619 11.906 1.00 0.00 C ATOM 478 OH TYR A 31 -6.567 4.864 11.957 1.00 0.00 O ATOM 0 H TYR A 31 -2.703 -2.243 12.215 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.217 0.197 10.921 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.391 -0.761 10.841 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.501 -0.865 12.587 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.146 1.687 9.848 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.566 0.862 13.782 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.201 3.904 9.935 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.630 3.072 13.864 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.017 4.977 12.820 1.00 0.00 H new ATOM 488 N ARG A 32 -2.309 0.226 14.202 1.00 0.00 N ATOM 489 CA ARG A 32 -1.975 0.980 15.383 1.00 0.00 C ATOM 490 C ARG A 32 -0.535 1.414 15.344 1.00 0.00 C ATOM 491 O ARG A 32 -0.234 2.557 15.601 1.00 0.00 O ATOM 492 CB ARG A 32 -2.188 0.103 16.612 1.00 0.00 C ATOM 493 CG ARG A 32 -3.635 -0.190 16.925 1.00 0.00 C ATOM 494 CD ARG A 32 -4.258 0.957 17.681 1.00 0.00 C ATOM 495 NE ARG A 32 -5.673 0.730 17.978 1.00 0.00 N ATOM 496 CZ ARG A 32 -6.330 1.313 18.985 1.00 0.00 C ATOM 497 NH1 ARG A 32 -5.686 2.105 19.837 1.00 0.00 N ATOM 498 NH2 ARG A 32 -7.628 1.096 19.145 1.00 0.00 N ATOM 0 H ARG A 32 -2.646 -0.718 14.391 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.613 1.863 15.426 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.662 -0.841 16.466 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.734 0.591 17.475 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.185 -0.364 16.000 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.707 -1.103 17.515 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.715 1.111 18.613 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.155 1.872 17.097 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.190 0.087 17.379 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.686 2.270 19.724 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.192 2.548 20.604 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.126 0.484 18.499 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.129 1.541 19.914 1.00 0.00 H new ATOM 512 N LYS A 33 0.351 0.516 14.981 1.00 0.00 N ATOM 513 CA LYS A 33 1.746 0.878 14.943 1.00 0.00 C ATOM 514 C LYS A 33 2.022 1.815 13.770 1.00 0.00 C ATOM 515 O LYS A 33 2.645 2.834 13.939 1.00 0.00 O ATOM 516 CB LYS A 33 2.663 -0.365 14.884 1.00 0.00 C ATOM 517 CG LYS A 33 2.807 -0.961 13.497 1.00 0.00 C ATOM 518 CD LYS A 33 3.713 -2.178 13.467 1.00 0.00 C ATOM 519 CE LYS A 33 3.824 -2.727 12.050 1.00 0.00 C ATOM 520 NZ LYS A 33 4.716 -3.909 11.970 1.00 0.00 N ATOM 0 H LYS A 33 0.138 -0.445 14.715 1.00 0.00 H new ATOM 0 HA LYS A 33 1.976 1.403 15.870 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.651 -0.093 15.255 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.269 -1.127 15.556 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.822 -1.239 13.123 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.203 -0.203 12.821 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.702 -1.911 13.838 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.320 -2.947 14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.832 -2.999 11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.200 -1.946 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.759 -4.246 10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.671 -3.646 12.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.345 -4.666 12.579 1.00 0.00 H new ATOM 534 N CYS A 34 1.498 1.491 12.598 1.00 0.00 N ATOM 535 CA CYS A 34 1.777 2.289 11.409 1.00 0.00 C ATOM 536 C CYS A 34 1.256 3.716 11.553 1.00 0.00 C ATOM 537 O CYS A 34 1.998 4.685 11.341 1.00 0.00 O ATOM 538 CB CYS A 34 1.173 1.632 10.166 1.00 0.00 C ATOM 539 SG CYS A 34 1.517 2.508 8.620 1.00 0.00 S ATOM 0 H CYS A 34 0.884 0.691 12.443 1.00 0.00 H new ATOM 0 HA CYS A 34 2.860 2.337 11.296 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.554 0.614 10.086 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.093 1.559 10.296 1.00 0.00 H new ATOM 0 HG CYS A 34 1.354 1.698 7.617 1.00 0.00 H new ATOM 545 N ALA A 35 -0.006 3.842 11.929 1.00 0.00 N ATOM 546 CA ALA A 35 -0.627 5.144 12.065 1.00 0.00 C ATOM 547 C ALA A 35 -0.027 5.941 13.223 1.00 0.00 C ATOM 548 O ALA A 35 0.309 7.092 13.069 1.00 0.00 O ATOM 549 CB ALA A 35 -2.129 4.989 12.253 1.00 0.00 C ATOM 0 H ALA A 35 -0.619 3.056 12.145 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.434 5.702 11.149 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.586 5.973 12.354 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.553 4.479 11.388 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.325 4.404 13.151 1.00 0.00 H new ATOM 555 N LEU A 36 0.108 5.303 14.380 1.00 0.00 N ATOM 556 CA LEU A 36 0.646 5.971 15.564 1.00 0.00 C ATOM 557 C LEU A 36 2.110 6.368 15.399 1.00 0.00 C ATOM 558 O LEU A 36 2.518 7.438 15.841 1.00 0.00 O ATOM 559 CB LEU A 36 0.458 5.111 16.807 1.00 0.00 C ATOM 560 CG LEU A 36 -0.993 4.925 17.269 1.00 0.00 C ATOM 561 CD1 LEU A 36 -1.068 3.897 18.385 1.00 0.00 C ATOM 562 CD2 LEU A 36 -1.591 6.250 17.720 1.00 0.00 C ATOM 0 H LEU A 36 -0.146 4.326 14.526 1.00 0.00 H new ATOM 0 HA LEU A 36 0.079 6.894 15.687 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.889 4.128 16.616 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.027 5.555 17.624 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.576 4.560 16.424 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.104 3.778 18.701 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.686 2.942 18.026 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.468 4.233 19.230 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.620 6.093 18.043 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.007 6.649 18.549 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.575 6.958 16.891 1.00 0.00 H new ATOM 574 N LYS A 37 2.898 5.501 14.784 1.00 0.00 N ATOM 575 CA LYS A 37 4.314 5.781 14.562 1.00 0.00 C ATOM 576 C LYS A 37 4.531 6.952 13.598 1.00 0.00 C ATOM 577 O LYS A 37 5.420 7.773 13.808 1.00 0.00 O ATOM 578 CB LYS A 37 5.051 4.533 14.048 1.00 0.00 C ATOM 579 CG LYS A 37 5.216 3.428 15.091 1.00 0.00 C ATOM 580 CD LYS A 37 5.839 2.175 14.492 1.00 0.00 C ATOM 581 CE LYS A 37 7.259 2.434 14.017 1.00 0.00 C ATOM 582 NZ LYS A 37 7.905 1.204 13.505 1.00 0.00 N ATOM 0 H LYS A 37 2.585 4.598 14.429 1.00 0.00 H new ATOM 0 HA LYS A 37 4.729 6.066 15.529 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.508 4.131 13.192 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.037 4.829 13.690 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.840 3.790 15.908 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.243 3.182 15.517 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.842 1.378 15.235 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.231 1.829 13.656 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.247 3.191 13.232 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.849 2.838 14.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.872 1.424 13.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.940 0.490 14.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.357 0.832 12.703 1.00 0.00 H new ATOM 596 N TYR A 38 3.711 7.024 12.549 1.00 0.00 N ATOM 597 CA TYR A 38 3.872 8.042 11.499 1.00 0.00 C ATOM 598 C TYR A 38 2.678 8.988 11.399 1.00 0.00 C ATOM 599 O TYR A 38 2.419 9.562 10.344 1.00 0.00 O ATOM 600 CB TYR A 38 4.124 7.351 10.165 1.00 0.00 C ATOM 601 CG TYR A 38 5.442 6.616 10.124 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.535 5.285 10.516 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.596 7.255 9.698 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.743 4.617 10.486 1.00 0.00 C ATOM 605 CE2 TYR A 38 7.805 6.593 9.663 1.00 0.00 C ATOM 606 CZ TYR A 38 7.874 5.276 10.057 1.00 0.00 C ATOM 607 OH TYR A 38 9.081 4.615 10.025 1.00 0.00 O ATOM 0 H TYR A 38 2.926 6.390 12.400 1.00 0.00 H new ATOM 0 HA TYR A 38 4.728 8.662 11.767 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.315 6.648 9.967 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.103 8.093 9.367 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.649 4.766 10.849 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.547 8.289 9.388 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.801 3.584 10.797 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.694 7.106 9.328 1.00 0.00 H new ATOM 0 HH TYR A 38 9.777 5.221 9.697 1.00 0.00 H new ATOM 617 N HIS A 39 1.973 9.162 12.498 1.00 0.00 N ATOM 618 CA HIS A 39 0.802 10.048 12.533 1.00 0.00 C ATOM 619 C HIS A 39 1.191 11.502 12.262 1.00 0.00 C ATOM 620 O HIS A 39 2.240 11.962 12.709 1.00 0.00 O ATOM 621 CB HIS A 39 0.088 9.946 13.897 1.00 0.00 C ATOM 622 CG HIS A 39 0.943 10.318 15.079 1.00 0.00 C ATOM 623 ND1 HIS A 39 0.426 10.756 16.273 1.00 0.00 N ATOM 624 CD2 HIS A 39 2.286 10.283 15.250 1.00 0.00 C ATOM 625 CE1 HIS A 39 1.410 10.971 17.122 1.00 0.00 C ATOM 626 NE2 HIS A 39 2.548 10.687 16.524 1.00 0.00 N ATOM 0 H HIS A 39 2.182 8.706 13.386 1.00 0.00 H new ATOM 0 HA HIS A 39 0.123 9.723 11.745 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.790 10.592 13.882 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.269 8.925 14.030 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -0.565 10.893 16.472 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.016 9.988 14.511 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.301 11.321 18.138 1.00 0.00 H new ATOM 634 N PRO A 40 0.316 12.253 11.568 1.00 0.00 N ATOM 635 CA PRO A 40 0.560 13.666 11.217 1.00 0.00 C ATOM 636 C PRO A 40 0.635 14.576 12.444 1.00 0.00 C ATOM 637 O PRO A 40 1.121 15.705 12.365 1.00 0.00 O ATOM 638 CB PRO A 40 -0.651 14.033 10.350 1.00 0.00 C ATOM 639 CG PRO A 40 -1.703 13.054 10.739 1.00 0.00 C ATOM 640 CD PRO A 40 -0.977 11.779 11.042 1.00 0.00 C ATOM 0 HA PRO A 40 1.519 13.796 10.715 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.975 15.057 10.535 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.415 13.960 9.288 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.261 13.403 11.608 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.424 12.913 9.933 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.513 11.173 11.773 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.850 11.165 10.150 1.00 0.00 H new ATOM 648 N ASP A 41 0.145 14.076 13.572 1.00 0.00 N ATOM 649 CA ASP A 41 0.157 14.823 14.832 1.00 0.00 C ATOM 650 C ASP A 41 1.571 15.103 15.316 1.00 0.00 C ATOM 651 O ASP A 41 1.801 16.064 16.052 1.00 0.00 O ATOM 652 CB ASP A 41 -0.612 14.076 15.923 1.00 0.00 C ATOM 653 CG ASP A 41 -2.101 14.050 15.686 1.00 0.00 C ATOM 654 OD1 ASP A 41 -2.718 15.131 15.673 1.00 0.00 O ATOM 655 OD2 ASP A 41 -2.661 12.950 15.534 1.00 0.00 O ATOM 0 H ASP A 41 -0.270 13.147 13.643 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.333 15.776 14.631 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.242 13.053 15.984 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.412 14.545 16.886 1.00 0.00 H new ATOM 660 N LYS A 42 2.523 14.274 14.903 1.00 0.00 N ATOM 661 CA LYS A 42 3.903 14.428 15.352 1.00 0.00 C ATOM 662 C LYS A 42 4.875 14.224 14.199 1.00 0.00 C ATOM 663 O LYS A 42 6.024 14.653 14.259 1.00 0.00 O ATOM 664 CB LYS A 42 4.233 13.482 16.509 1.00 0.00 C ATOM 665 CG LYS A 42 3.414 13.747 17.767 1.00 0.00 C ATOM 666 CD LYS A 42 3.864 12.880 18.933 1.00 0.00 C ATOM 667 CE LYS A 42 5.246 13.287 19.432 1.00 0.00 C ATOM 668 NZ LYS A 42 5.257 14.676 19.962 1.00 0.00 N ATOM 0 H LYS A 42 2.368 13.495 14.264 1.00 0.00 H new ATOM 0 HA LYS A 42 4.012 15.448 15.720 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.065 12.454 16.186 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.292 13.572 16.750 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.502 14.798 18.042 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.361 13.558 17.560 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.144 12.961 19.747 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.881 11.835 18.625 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.568 12.598 20.213 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.965 13.204 18.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.108 14.819 20.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.262 15.350 19.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.410 14.832 20.544 1.00 0.00 H new ATOM 682 N ASN A 43 4.407 13.564 13.156 1.00 0.00 N ATOM 683 CA ASN A 43 5.201 13.343 11.967 1.00 0.00 C ATOM 684 C ASN A 43 4.668 14.210 10.847 1.00 0.00 C ATOM 685 O ASN A 43 3.609 13.938 10.287 1.00 0.00 O ATOM 686 CB ASN A 43 5.170 11.865 11.569 1.00 0.00 C ATOM 687 CG ASN A 43 5.796 10.977 12.616 1.00 0.00 C ATOM 688 OD1 ASN A 43 7.009 10.752 12.618 1.00 0.00 O ATOM 689 ND2 ASN A 43 4.985 10.478 13.512 1.00 0.00 N ATOM 0 H ASN A 43 3.468 13.168 13.111 1.00 0.00 H new ATOM 0 HA ASN A 43 6.238 13.613 12.168 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.137 11.557 11.405 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.696 11.735 10.623 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.349 9.876 14.251 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.988 10.690 13.472 1.00 0.00 H new ATOM 696 N PRO A 44 5.392 15.285 10.524 1.00 0.00 N ATOM 697 CA PRO A 44 4.972 16.252 9.512 1.00 0.00 C ATOM 698 C PRO A 44 5.241 15.795 8.084 1.00 0.00 C ATOM 699 O PRO A 44 4.796 16.441 7.129 1.00 0.00 O ATOM 700 CB PRO A 44 5.821 17.472 9.847 1.00 0.00 C ATOM 701 CG PRO A 44 7.085 16.898 10.380 1.00 0.00 C ATOM 702 CD PRO A 44 6.690 15.656 11.133 1.00 0.00 C ATOM 0 HA PRO A 44 3.896 16.422 9.538 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.003 18.086 8.965 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.331 18.109 10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.777 16.661 9.572 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.590 17.608 11.035 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.429 14.864 11.017 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.593 15.848 12.202 1.00 0.00 H new ATOM 710 N SER A 45 5.971 14.698 7.936 1.00 0.00 N ATOM 711 CA SER A 45 6.344 14.220 6.624 1.00 0.00 C ATOM 712 C SER A 45 5.125 13.849 5.819 1.00 0.00 C ATOM 713 O SER A 45 4.200 13.189 6.306 1.00 0.00 O ATOM 714 CB SER A 45 7.226 13.013 6.728 1.00 0.00 C ATOM 715 OG SER A 45 8.243 13.197 7.701 1.00 0.00 O ATOM 0 H SER A 45 6.313 14.128 8.710 1.00 0.00 H new ATOM 0 HA SER A 45 6.880 15.028 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.624 12.142 6.989 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.680 12.808 5.759 1.00 0.00 H new ATOM 0 HG SER A 45 8.801 12.393 7.747 1.00 0.00 H new ATOM 721 N GLU A 46 5.139 14.270 4.607 1.00 0.00 N ATOM 722 CA GLU A 46 4.079 13.988 3.674 1.00 0.00 C ATOM 723 C GLU A 46 3.993 12.500 3.404 1.00 0.00 C ATOM 724 O GLU A 46 2.913 11.948 3.307 1.00 0.00 O ATOM 725 CB GLU A 46 4.291 14.769 2.389 1.00 0.00 C ATOM 726 CG GLU A 46 4.152 16.267 2.580 1.00 0.00 C ATOM 727 CD GLU A 46 4.360 17.041 1.309 1.00 0.00 C ATOM 728 OE1 GLU A 46 3.551 16.879 0.372 1.00 0.00 O ATOM 729 OE2 GLU A 46 5.329 17.827 1.243 1.00 0.00 O ATOM 0 H GLU A 46 5.896 14.831 4.216 1.00 0.00 H new ATOM 0 HA GLU A 46 3.131 14.303 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.283 14.548 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.570 14.434 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.160 16.487 2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.874 16.602 3.325 1.00 0.00 H new ATOM 736 N GLU A 47 5.149 11.859 3.317 1.00 0.00 N ATOM 737 CA GLU A 47 5.246 10.420 3.101 1.00 0.00 C ATOM 738 C GLU A 47 4.594 9.671 4.246 1.00 0.00 C ATOM 739 O GLU A 47 3.941 8.648 4.049 1.00 0.00 O ATOM 740 CB GLU A 47 6.707 10.033 3.041 1.00 0.00 C ATOM 741 CG GLU A 47 7.430 10.548 1.814 1.00 0.00 C ATOM 742 CD GLU A 47 6.837 10.019 0.536 1.00 0.00 C ATOM 743 OE1 GLU A 47 6.855 8.783 0.333 1.00 0.00 O ATOM 744 OE2 GLU A 47 6.349 10.827 -0.273 1.00 0.00 O ATOM 0 H GLU A 47 6.053 12.324 3.395 1.00 0.00 H new ATOM 0 HA GLU A 47 4.740 10.165 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.209 10.411 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.786 8.946 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.394 11.637 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.481 10.264 1.869 1.00 0.00 H new ATOM 751 N ALA A 48 4.808 10.181 5.443 1.00 0.00 N ATOM 752 CA ALA A 48 4.225 9.610 6.652 1.00 0.00 C ATOM 753 C ALA A 48 2.733 9.707 6.583 1.00 0.00 C ATOM 754 O ALA A 48 2.014 8.793 6.956 1.00 0.00 O ATOM 755 CB ALA A 48 4.754 10.320 7.889 1.00 0.00 C ATOM 0 H ALA A 48 5.390 11.002 5.610 1.00 0.00 H new ATOM 0 HA ALA A 48 4.509 8.560 6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.307 9.880 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.838 10.212 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.497 11.378 7.839 1.00 0.00 H new ATOM 761 N ALA A 49 2.285 10.818 6.104 1.00 0.00 N ATOM 762 CA ALA A 49 0.870 11.044 5.898 1.00 0.00 C ATOM 763 C ALA A 49 0.330 10.078 4.847 1.00 0.00 C ATOM 764 O ALA A 49 -0.774 9.546 4.979 1.00 0.00 O ATOM 765 CB ALA A 49 0.608 12.488 5.490 1.00 0.00 C ATOM 0 H ALA A 49 2.879 11.604 5.840 1.00 0.00 H new ATOM 0 HA ALA A 49 0.349 10.861 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.462 12.635 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.960 13.157 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.137 12.706 4.562 1.00 0.00 H new ATOM 771 N GLU A 50 1.130 9.852 3.801 1.00 0.00 N ATOM 772 CA GLU A 50 0.744 8.956 2.722 1.00 0.00 C ATOM 773 C GLU A 50 0.619 7.533 3.239 1.00 0.00 C ATOM 774 O GLU A 50 -0.321 6.827 2.918 1.00 0.00 O ATOM 775 CB GLU A 50 1.776 8.991 1.595 1.00 0.00 C ATOM 776 CG GLU A 50 2.001 10.373 1.026 1.00 0.00 C ATOM 777 CD GLU A 50 2.609 10.352 -0.363 1.00 0.00 C ATOM 778 OE1 GLU A 50 2.300 11.267 -1.160 1.00 0.00 O ATOM 779 OE2 GLU A 50 3.376 9.422 -0.675 1.00 0.00 O ATOM 0 H GLU A 50 2.048 10.280 3.684 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.219 9.290 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.723 8.602 1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.451 8.326 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.050 10.905 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.655 10.933 1.694 1.00 0.00 H new ATOM 786 N LYS A 51 1.566 7.125 4.051 1.00 0.00 N ATOM 787 CA LYS A 51 1.521 5.797 4.636 1.00 0.00 C ATOM 788 C LYS A 51 0.410 5.690 5.679 1.00 0.00 C ATOM 789 O LYS A 51 -0.180 4.628 5.860 1.00 0.00 O ATOM 790 CB LYS A 51 2.888 5.394 5.208 1.00 0.00 C ATOM 791 CG LYS A 51 3.435 6.320 6.247 1.00 0.00 C ATOM 792 CD LYS A 51 4.882 5.991 6.606 1.00 0.00 C ATOM 793 CE LYS A 51 5.023 4.611 7.257 1.00 0.00 C ATOM 794 NZ LYS A 51 5.062 3.499 6.269 1.00 0.00 N ATOM 0 H LYS A 51 2.373 7.686 4.323 1.00 0.00 H new ATOM 0 HA LYS A 51 1.285 5.088 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.805 4.396 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.603 5.328 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.376 7.346 5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.818 6.263 7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.495 6.029 5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.267 6.751 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.934 4.590 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.189 4.452 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.199 2.926 6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.121 3.891 5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.894 2.902 6.451 1.00 0.00 H new ATOM 808 N PHE A 52 0.131 6.799 6.362 1.00 0.00 N ATOM 809 CA PHE A 52 -0.951 6.861 7.327 1.00 0.00 C ATOM 810 C PHE A 52 -2.299 6.587 6.641 1.00 0.00 C ATOM 811 O PHE A 52 -3.078 5.749 7.098 1.00 0.00 O ATOM 812 CB PHE A 52 -0.972 8.247 7.998 1.00 0.00 C ATOM 813 CG PHE A 52 -2.066 8.437 9.016 1.00 0.00 C ATOM 814 CD1 PHE A 52 -1.861 8.105 10.343 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.302 8.948 8.641 1.00 0.00 C ATOM 816 CE1 PHE A 52 -2.863 8.279 11.278 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.307 9.121 9.572 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.086 8.787 10.893 1.00 0.00 C ATOM 0 H PHE A 52 0.649 7.672 6.259 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.788 6.097 8.087 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.010 8.416 8.482 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.077 9.008 7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.906 7.705 10.652 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.479 9.213 7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.688 8.017 12.311 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.264 9.517 9.267 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.869 8.923 11.624 1.00 0.00 H new ATOM 828 N LYS A 53 -2.556 7.294 5.532 1.00 0.00 N ATOM 829 CA LYS A 53 -3.813 7.134 4.792 1.00 0.00 C ATOM 830 C LYS A 53 -3.943 5.744 4.182 1.00 0.00 C ATOM 831 O LYS A 53 -5.037 5.180 4.120 1.00 0.00 O ATOM 832 CB LYS A 53 -3.953 8.202 3.700 1.00 0.00 C ATOM 833 CG LYS A 53 -2.880 8.156 2.630 1.00 0.00 C ATOM 834 CD LYS A 53 -3.086 9.226 1.567 1.00 0.00 C ATOM 835 CE LYS A 53 -4.321 8.942 0.725 1.00 0.00 C ATOM 836 NZ LYS A 53 -4.492 9.936 -0.360 1.00 0.00 N ATOM 0 H LYS A 53 -1.914 7.978 5.130 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.620 7.261 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.927 8.090 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.938 9.186 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.902 8.288 3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.880 7.173 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.186 10.201 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.208 9.275 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.244 7.944 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.204 8.946 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.344 9.707 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.591 10.886 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.661 9.914 -0.985 1.00 0.00 H new ATOM 850 N GLU A 54 -2.840 5.199 3.723 1.00 0.00 N ATOM 851 CA GLU A 54 -2.844 3.859 3.170 1.00 0.00 C ATOM 852 C GLU A 54 -3.131 2.851 4.258 1.00 0.00 C ATOM 853 O GLU A 54 -3.872 1.890 4.051 1.00 0.00 O ATOM 854 CB GLU A 54 -1.519 3.557 2.493 1.00 0.00 C ATOM 855 CG GLU A 54 -1.282 4.409 1.269 1.00 0.00 C ATOM 856 CD GLU A 54 0.051 4.135 0.608 1.00 0.00 C ATOM 857 OE1 GLU A 54 1.092 4.241 1.286 1.00 0.00 O ATOM 858 OE2 GLU A 54 0.062 3.810 -0.603 1.00 0.00 O ATOM 0 H GLU A 54 -1.930 5.659 3.720 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.630 3.792 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.708 3.716 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.492 2.505 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.081 4.232 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.333 5.461 1.550 1.00 0.00 H new ATOM 865 N ALA A 55 -2.560 3.094 5.430 1.00 0.00 N ATOM 866 CA ALA A 55 -2.759 2.229 6.570 1.00 0.00 C ATOM 867 C ALA A 55 -4.210 2.259 7.009 1.00 0.00 C ATOM 868 O ALA A 55 -4.786 1.226 7.338 1.00 0.00 O ATOM 869 CB ALA A 55 -1.853 2.636 7.719 1.00 0.00 C ATOM 0 H ALA A 55 -1.951 3.892 5.610 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.503 1.211 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.020 1.971 8.567 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.812 2.568 7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.076 3.662 8.013 1.00 0.00 H new ATOM 875 N SER A 56 -4.804 3.453 7.002 1.00 0.00 N ATOM 876 CA SER A 56 -6.170 3.602 7.415 1.00 0.00 C ATOM 877 C SER A 56 -7.122 2.931 6.429 1.00 0.00 C ATOM 878 O SER A 56 -8.049 2.250 6.839 1.00 0.00 O ATOM 879 CB SER A 56 -6.515 5.085 7.618 1.00 0.00 C ATOM 880 OG SER A 56 -6.338 5.831 6.431 1.00 0.00 O ATOM 0 H SER A 56 -4.349 4.319 6.713 1.00 0.00 H new ATOM 0 HA SER A 56 -6.294 3.098 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.548 5.175 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.886 5.500 8.406 1.00 0.00 H new ATOM 0 HG SER A 56 -5.859 5.287 5.771 1.00 0.00 H new ATOM 886 N ALA A 57 -6.863 3.085 5.123 1.00 0.00 N ATOM 887 CA ALA A 57 -7.702 2.441 4.104 1.00 0.00 C ATOM 888 C ALA A 57 -7.575 0.925 4.197 1.00 0.00 C ATOM 889 O ALA A 57 -8.564 0.181 4.069 1.00 0.00 O ATOM 890 CB ALA A 57 -7.331 2.930 2.713 1.00 0.00 C ATOM 0 H ALA A 57 -6.092 3.640 4.752 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.741 2.712 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.965 2.440 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.475 4.009 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.287 2.692 2.510 1.00 0.00 H new ATOM 896 N ALA A 58 -6.353 0.482 4.430 1.00 0.00 N ATOM 897 CA ALA A 58 -6.055 -0.923 4.597 1.00 0.00 C ATOM 898 C ALA A 58 -6.804 -1.447 5.782 1.00 0.00 C ATOM 899 O ALA A 58 -7.424 -2.478 5.717 1.00 0.00 O ATOM 900 CB ALA A 58 -4.563 -1.128 4.800 1.00 0.00 C ATOM 0 H ALA A 58 -5.539 1.091 4.508 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.360 -1.462 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.355 -2.191 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.023 -0.752 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.239 -0.589 5.690 1.00 0.00 H new ATOM 906 N TYR A 59 -6.776 -0.682 6.852 1.00 0.00 N ATOM 907 CA TYR A 59 -7.494 -1.006 8.065 1.00 0.00 C ATOM 908 C TYR A 59 -8.984 -1.067 7.792 1.00 0.00 C ATOM 909 O TYR A 59 -9.668 -1.920 8.294 1.00 0.00 O ATOM 910 CB TYR A 59 -7.185 0.033 9.139 1.00 0.00 C ATOM 911 CG TYR A 59 -7.851 -0.198 10.480 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.383 -1.172 11.352 1.00 0.00 C ATOM 913 CD2 TYR A 59 -8.926 0.579 10.885 1.00 0.00 C ATOM 914 CE1 TYR A 59 -7.968 -1.363 12.587 1.00 0.00 C ATOM 915 CE2 TYR A 59 -9.518 0.391 12.116 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.034 -0.580 12.965 1.00 0.00 C ATOM 917 OH TYR A 59 -9.620 -0.764 14.198 1.00 0.00 O ATOM 0 H TYR A 59 -6.249 0.190 6.904 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.173 -1.985 8.421 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.106 0.065 9.289 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.484 1.013 8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.547 -1.790 11.059 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.306 1.345 10.225 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.591 -2.124 13.254 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.357 1.002 12.413 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.358 -0.129 14.307 1.00 0.00 H new ATOM 927 N GLU A 60 -9.464 -0.170 6.970 1.00 0.00 N ATOM 928 CA GLU A 60 -10.876 -0.098 6.672 1.00 0.00 C ATOM 929 C GLU A 60 -11.397 -1.400 6.066 1.00 0.00 C ATOM 930 O GLU A 60 -12.504 -1.829 6.377 1.00 0.00 O ATOM 931 CB GLU A 60 -11.171 1.074 5.743 1.00 0.00 C ATOM 932 CG GLU A 60 -10.959 2.417 6.402 1.00 0.00 C ATOM 933 CD GLU A 60 -11.784 2.565 7.667 1.00 0.00 C ATOM 934 OE1 GLU A 60 -13.028 2.484 7.585 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.195 2.743 8.754 1.00 0.00 O ATOM 0 H GLU A 60 -8.895 0.527 6.490 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.398 0.059 7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.532 1.002 4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.202 1.005 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.903 2.541 6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.223 3.210 5.702 1.00 0.00 H new ATOM 942 N ILE A 61 -10.615 -2.018 5.199 1.00 0.00 N ATOM 943 CA ILE A 61 -11.034 -3.276 4.600 1.00 0.00 C ATOM 944 C ILE A 61 -10.539 -4.473 5.400 1.00 0.00 C ATOM 945 O ILE A 61 -11.295 -5.377 5.715 1.00 0.00 O ATOM 946 CB ILE A 61 -10.587 -3.387 3.122 1.00 0.00 C ATOM 947 CG1 ILE A 61 -9.084 -3.112 2.979 1.00 0.00 C ATOM 948 CG2 ILE A 61 -11.398 -2.438 2.247 1.00 0.00 C ATOM 949 CD1 ILE A 61 -8.550 -3.331 1.588 1.00 0.00 C ATOM 0 H ILE A 61 -9.702 -1.678 4.897 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.124 -3.284 4.621 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.772 -4.407 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.884 -2.083 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.540 -3.755 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.071 -2.529 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.456 -2.693 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.248 -1.413 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.482 -3.116 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.716 -4.367 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.065 -2.669 0.892 1.00 0.00 H new ATOM 961 N LEU A 62 -9.276 -4.452 5.725 1.00 0.00 N ATOM 962 CA LEU A 62 -8.629 -5.536 6.432 1.00 0.00 C ATOM 963 C LEU A 62 -9.174 -5.750 7.853 1.00 0.00 C ATOM 964 O LEU A 62 -9.318 -6.888 8.288 1.00 0.00 O ATOM 965 CB LEU A 62 -7.132 -5.293 6.450 1.00 0.00 C ATOM 966 CG LEU A 62 -6.457 -5.267 5.071 1.00 0.00 C ATOM 967 CD1 LEU A 62 -4.968 -5.022 5.201 1.00 0.00 C ATOM 968 CD2 LEU A 62 -6.728 -6.544 4.299 1.00 0.00 C ATOM 0 H LEU A 62 -8.654 -3.674 5.506 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.851 -6.459 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.940 -4.343 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.661 -6.070 7.053 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.890 -4.440 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.514 -5.008 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.798 -4.063 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.519 -5.818 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.236 -6.493 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.341 -7.396 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.802 -6.662 4.156 1.00 0.00 H new ATOM 980 N SER A 63 -9.483 -4.666 8.569 1.00 0.00 N ATOM 981 CA SER A 63 -10.005 -4.773 9.943 1.00 0.00 C ATOM 982 C SER A 63 -11.381 -5.432 9.964 1.00 0.00 C ATOM 983 O SER A 63 -11.915 -5.739 11.028 1.00 0.00 O ATOM 984 CB SER A 63 -10.065 -3.400 10.622 1.00 0.00 C ATOM 985 OG SER A 63 -10.431 -3.505 11.989 1.00 0.00 O ATOM 0 H SER A 63 -9.384 -3.710 8.228 1.00 0.00 H new ATOM 0 HA SER A 63 -9.315 -5.404 10.503 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.094 -2.912 10.542 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.783 -2.767 10.101 1.00 0.00 H new ATOM 0 HG SER A 63 -9.955 -2.824 12.508 1.00 0.00 H new ATOM 991 N ASP A 64 -11.962 -5.620 8.798 1.00 0.00 N ATOM 992 CA ASP A 64 -13.228 -6.298 8.685 1.00 0.00 C ATOM 993 C ASP A 64 -13.033 -7.561 7.900 1.00 0.00 C ATOM 994 O ASP A 64 -12.785 -7.514 6.724 1.00 0.00 O ATOM 995 CB ASP A 64 -14.310 -5.420 8.048 1.00 0.00 C ATOM 996 CG ASP A 64 -14.746 -4.284 8.942 1.00 0.00 C ATOM 997 OD1 ASP A 64 -15.025 -4.534 10.135 1.00 0.00 O ATOM 998 OD2 ASP A 64 -14.839 -3.142 8.461 1.00 0.00 O ATOM 0 H ASP A 64 -11.570 -5.308 7.909 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.581 -6.533 9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.935 -5.013 7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.175 -6.037 7.805 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.159 -8.709 8.552 1.00 0.00 N ATOM 1004 CA PRO A 65 -12.912 -10.028 7.939 1.00 0.00 C ATOM 1005 C PRO A 65 -13.721 -10.237 6.675 1.00 0.00 C ATOM 1006 O PRO A 65 -13.273 -10.896 5.733 1.00 0.00 O ATOM 1007 CB PRO A 65 -13.375 -10.997 9.020 1.00 0.00 C ATOM 1008 CG PRO A 65 -13.210 -10.237 10.280 1.00 0.00 C ATOM 1009 CD PRO A 65 -13.559 -8.825 9.950 1.00 0.00 C ATOM 0 HA PRO A 65 -11.872 -10.152 7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.412 -11.298 8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.776 -11.908 9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.861 -10.629 11.061 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.188 -10.311 10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.623 -8.630 10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.024 -8.118 10.583 1.00 0.00 H new ATOM 1017 N GLU A 66 -14.896 -9.656 6.657 1.00 0.00 N ATOM 1018 CA GLU A 66 -15.782 -9.796 5.532 1.00 0.00 C ATOM 1019 C GLU A 66 -15.264 -8.972 4.373 1.00 0.00 C ATOM 1020 O GLU A 66 -15.260 -9.412 3.239 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.202 -9.390 5.916 1.00 0.00 C ATOM 1022 CG GLU A 66 -17.834 -10.316 6.947 1.00 0.00 C ATOM 1023 CD GLU A 66 -18.037 -11.725 6.425 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -19.006 -11.951 5.678 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -17.225 -12.615 6.756 1.00 0.00 O ATOM 0 H GLU A 66 -15.261 -9.079 7.415 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.814 -10.841 5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.188 -8.374 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.823 -9.376 5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.202 -10.350 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.795 -9.906 7.256 1.00 0.00 H new ATOM 1032 N LYS A 67 -14.763 -7.791 4.694 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.234 -6.871 3.727 1.00 0.00 C ATOM 1034 C LYS A 67 -12.891 -7.354 3.258 1.00 0.00 C ATOM 1035 O LYS A 67 -12.488 -7.131 2.124 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.100 -5.505 4.381 1.00 0.00 C ATOM 1037 CG LYS A 67 -15.424 -4.809 4.661 1.00 0.00 C ATOM 1038 CD LYS A 67 -16.113 -4.392 3.369 1.00 0.00 C ATOM 1039 CE LYS A 67 -17.378 -3.591 3.638 1.00 0.00 C ATOM 1040 NZ LYS A 67 -18.409 -4.393 4.341 1.00 0.00 N ATOM 0 H LYS A 67 -14.716 -7.448 5.653 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.901 -6.802 2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.557 -5.617 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.496 -4.865 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.076 -5.476 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.251 -3.931 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.427 -3.797 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.361 -5.279 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.131 -2.715 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.784 -3.228 2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.288 -3.842 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.591 -5.267 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.071 -4.633 5.295 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.217 -8.025 4.157 1.00 0.00 N ATOM 1055 CA ARG A 68 -10.903 -8.542 3.943 1.00 0.00 C ATOM 1056 C ARG A 68 -10.977 -9.640 2.912 1.00 0.00 C ATOM 1057 O ARG A 68 -10.174 -9.694 2.002 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.384 -9.109 5.266 1.00 0.00 C ATOM 1059 CG ARG A 68 -8.876 -9.036 5.447 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.259 -10.409 5.698 1.00 0.00 C ATOM 1061 NE ARG A 68 -8.090 -11.186 4.461 1.00 0.00 N ATOM 1062 CZ ARG A 68 -8.046 -12.522 4.412 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -8.218 -13.237 5.517 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -7.817 -13.142 3.258 1.00 0.00 N ATOM 0 H ARG A 68 -12.586 -8.229 5.086 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.233 -7.758 3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.860 -8.572 6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.695 -10.151 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.426 -8.594 4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.644 -8.377 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.290 -10.285 6.181 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.891 -10.966 6.390 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.001 -10.673 3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.384 -12.768 6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.184 -14.256 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.674 -12.599 2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.784 -14.161 3.224 1.00 0.00 H new ATOM 1078 N ASP A 69 -11.971 -10.514 3.069 1.00 0.00 N ATOM 1079 CA ASP A 69 -12.188 -11.617 2.144 1.00 0.00 C ATOM 1080 C ASP A 69 -12.672 -11.096 0.811 1.00 0.00 C ATOM 1081 O ASP A 69 -12.264 -11.576 -0.252 1.00 0.00 O ATOM 1082 CB ASP A 69 -13.182 -12.614 2.712 1.00 0.00 C ATOM 1083 CG ASP A 69 -13.392 -13.789 1.791 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -12.466 -14.621 1.661 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -14.475 -13.885 1.187 1.00 0.00 O ATOM 0 H ASP A 69 -12.642 -10.475 3.836 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.237 -12.130 1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.826 -12.970 3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.135 -12.116 2.887 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.542 -10.107 0.878 1.00 0.00 N ATOM 1091 CA ILE A 70 -14.064 -9.465 -0.303 1.00 0.00 C ATOM 1092 C ILE A 70 -12.936 -8.830 -1.096 1.00 0.00 C ATOM 1093 O ILE A 70 -12.822 -9.036 -2.302 1.00 0.00 O ATOM 1094 CB ILE A 70 -15.110 -8.394 0.080 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -16.407 -9.045 0.572 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -15.383 -7.431 -1.073 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -17.094 -9.914 -0.466 1.00 0.00 C ATOM 0 H ILE A 70 -13.904 -9.729 1.754 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.550 -10.221 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.692 -7.809 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -16.187 -9.652 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.096 -8.263 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.124 -6.694 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -14.459 -6.923 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -15.762 -7.988 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -18.004 -10.338 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -17.348 -9.309 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.424 -10.720 -0.767 1.00 0.00 H new ATOM 1109 N TYR A 71 -12.089 -8.085 -0.419 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.947 -7.483 -1.083 1.00 0.00 C ATOM 1111 C TYR A 71 -9.976 -8.558 -1.565 1.00 0.00 C ATOM 1112 O TYR A 71 -9.403 -8.455 -2.637 1.00 0.00 O ATOM 1113 CB TYR A 71 -10.218 -6.487 -0.181 1.00 0.00 C ATOM 1114 CG TYR A 71 -9.109 -5.756 -0.906 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -9.383 -4.629 -1.668 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -7.793 -6.205 -0.848 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -8.382 -3.970 -2.353 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -6.787 -5.550 -1.527 1.00 0.00 C ATOM 1119 CZ TYR A 71 -7.088 -4.433 -2.279 1.00 0.00 C ATOM 1120 OH TYR A 71 -6.090 -3.782 -2.967 1.00 0.00 O ATOM 0 H TYR A 71 -12.165 -7.882 0.578 1.00 0.00 H new ATOM 0 HA TYR A 71 -11.330 -6.934 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.933 -5.762 0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.801 -7.015 0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.397 -4.261 -1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.556 -7.080 -0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.613 -3.096 -2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.770 -5.909 -1.470 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.609 -3.184 -2.357 1.00 0.00 H new