USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 605 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 22 ASN : amide:sc= 0.978 K(o=2.1,f=-3.8) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 170:sc= 1.14 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.717 K(o=-0.72,f=-5.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 24:sc= 0.886 USER MOD Single : A 42 MET CE :methyl -148:sc= -0.0845 (180deg=-0.389) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 28:sc= 0.507 USER MOD Single : A 57 THR OG1 : rot -71:sc= 1.05 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -146:sc= -0.402 (180deg=-1.71!) USER MOD Single : A 72 ASN : amide:sc= -0.121 K(o=-0.12,f=-6.1!) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= 0.0334 (180deg=0.0164) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0565 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00975 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -2.491 9.745 1.392 1.00 0.00 N ATOM 134 CA GLY A 10 -1.316 9.074 0.836 1.00 0.00 C ATOM 135 C GLY A 10 -1.153 7.612 1.277 1.00 0.00 C ATOM 136 O GLY A 10 -0.347 6.896 0.683 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.374 9.108 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.424 9.630 1.126 1.00 0.00 H new ATOM 140 N LYS A 11 -1.871 7.148 2.312 1.00 0.00 N ATOM 141 CA LYS A 11 -1.811 5.764 2.784 1.00 0.00 C ATOM 142 C LYS A 11 -2.732 4.876 1.945 1.00 0.00 C ATOM 143 O LYS A 11 -3.944 5.117 1.911 1.00 0.00 O ATOM 144 CB LYS A 11 -2.101 5.685 4.301 1.00 0.00 C ATOM 145 CG LYS A 11 -3.502 6.071 4.811 1.00 0.00 C ATOM 146 CD LYS A 11 -4.339 4.823 5.126 1.00 0.00 C ATOM 147 CE LYS A 11 -4.719 4.648 6.609 1.00 0.00 C ATOM 148 NZ LYS A 11 -3.547 4.477 7.498 1.00 0.00 N ATOM 0 H LYS A 11 -2.514 7.732 2.847 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.799 5.381 2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.904 4.662 4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.378 6.323 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.410 6.686 5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.012 6.675 4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.254 4.859 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.785 3.942 4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.290 5.517 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.372 3.781 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.870 4.364 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.013 3.632 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.934 5.314 7.429 1.00 0.00 H new ATOM 162 N LEU A 12 -2.186 3.852 1.283 1.00 0.00 N ATOM 163 CA LEU A 12 -2.977 2.789 0.662 1.00 0.00 C ATOM 164 C LEU A 12 -2.985 1.554 1.558 1.00 0.00 C ATOM 165 O LEU A 12 -2.374 1.532 2.627 1.00 0.00 O ATOM 166 CB LEU A 12 -2.445 2.450 -0.749 1.00 0.00 C ATOM 167 CG LEU A 12 -2.833 3.437 -1.869 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.479 2.787 -3.212 1.00 0.00 C ATOM 169 CD2 LEU A 12 -4.330 3.785 -1.853 1.00 0.00 C ATOM 0 H LEU A 12 -1.180 3.738 1.163 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.002 3.141 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.358 2.392 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.805 1.459 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.287 4.367 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.743 3.464 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.409 2.580 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.033 1.855 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.550 4.483 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.916 2.876 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.587 4.243 -0.898 1.00 0.00 H new ATOM 181 N PHE A 13 -3.709 0.523 1.138 1.00 0.00 N ATOM 182 CA PHE A 13 -3.784 -0.788 1.750 1.00 0.00 C ATOM 183 C PHE A 13 -3.709 -1.803 0.611 1.00 0.00 C ATOM 184 O PHE A 13 -4.200 -1.543 -0.483 1.00 0.00 O ATOM 185 CB PHE A 13 -5.110 -0.866 2.516 1.00 0.00 C ATOM 186 CG PHE A 13 -5.413 -2.177 3.214 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.101 -3.194 2.526 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.072 -2.358 4.569 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.460 -4.376 3.193 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.440 -3.540 5.239 1.00 0.00 C ATOM 191 CZ PHE A 13 -6.143 -4.545 4.554 1.00 0.00 C ATOM 0 H PHE A 13 -4.296 0.591 0.306 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.978 -0.988 2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.120 -0.072 3.263 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.920 -0.656 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.353 -3.065 1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.527 -1.588 5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.981 -5.158 2.660 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.182 -3.674 6.279 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.440 -5.446 5.071 1.00 0.00 H new ATOM 201 N ILE A 14 -3.101 -2.957 0.846 1.00 0.00 N ATOM 202 CA ILE A 14 -2.855 -3.994 -0.147 1.00 0.00 C ATOM 203 C ILE A 14 -3.294 -5.311 0.501 1.00 0.00 C ATOM 204 O ILE A 14 -3.423 -5.380 1.725 1.00 0.00 O ATOM 205 CB ILE A 14 -1.362 -3.937 -0.561 1.00 0.00 C ATOM 206 CG1 ILE A 14 -0.907 -2.541 -1.060 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.098 -4.920 -1.704 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.252 -1.662 0.008 1.00 0.00 C ATOM 0 H ILE A 14 -2.751 -3.207 1.771 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.416 -3.871 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.803 -4.186 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.204 -2.676 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.772 -2.015 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.047 -4.873 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.341 -5.931 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.718 -4.656 -2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.033 -0.706 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.957 -1.491 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.635 -2.162 0.397 1.00 0.00 H new ATOM 220 N GLY A 15 -3.545 -6.363 -0.275 1.00 0.00 N ATOM 221 CA GLY A 15 -3.867 -7.679 0.255 1.00 0.00 C ATOM 222 C GLY A 15 -3.772 -8.751 -0.810 1.00 0.00 C ATOM 223 O GLY A 15 -3.435 -8.457 -1.958 1.00 0.00 O ATOM 0 H GLY A 15 -3.530 -6.323 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.188 -7.918 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.875 -7.667 0.671 1.00 0.00 H new ATOM 227 N GLY A 16 -4.042 -9.995 -0.412 1.00 0.00 N ATOM 228 CA GLY A 16 -3.868 -11.168 -1.257 1.00 0.00 C ATOM 229 C GLY A 16 -2.404 -11.425 -1.617 1.00 0.00 C ATOM 230 O GLY A 16 -2.138 -12.123 -2.596 1.00 0.00 O ATOM 0 H GLY A 16 -4.392 -10.215 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.271 -12.042 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.446 -11.040 -2.172 1.00 0.00 H new ATOM 234 N LEU A 17 -1.461 -10.806 -0.897 1.00 0.00 N ATOM 235 CA LEU A 17 -0.058 -10.776 -1.299 1.00 0.00 C ATOM 236 C LEU A 17 0.600 -12.143 -1.198 1.00 0.00 C ATOM 237 O LEU A 17 0.093 -13.044 -0.530 1.00 0.00 O ATOM 238 CB LEU A 17 0.737 -9.753 -0.471 1.00 0.00 C ATOM 239 CG LEU A 17 0.367 -8.291 -0.756 1.00 0.00 C ATOM 240 CD1 LEU A 17 1.366 -7.379 -0.044 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.348 -7.979 -2.258 1.00 0.00 C ATOM 0 H LEU A 17 -1.652 -10.315 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.045 -10.474 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.578 -9.957 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.800 -9.892 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.642 -8.117 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.112 -6.337 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.328 -7.566 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.371 -7.583 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.081 -6.933 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.335 -8.166 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.386 -8.616 -2.753 1.00 0.00 H new ATOM 253 N ASN A 18 1.757 -12.270 -1.843 1.00 0.00 N ATOM 254 CA ASN A 18 2.597 -13.453 -1.776 1.00 0.00 C ATOM 255 C ASN A 18 3.429 -13.439 -0.497 1.00 0.00 C ATOM 256 O ASN A 18 3.591 -12.384 0.128 1.00 0.00 O ATOM 257 CB ASN A 18 3.533 -13.482 -2.993 1.00 0.00 C ATOM 258 CG ASN A 18 3.920 -14.894 -3.377 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.559 -15.871 -2.731 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.669 -15.061 -4.439 1.00 0.00 N ATOM 0 H ASN A 18 2.141 -11.536 -2.438 1.00 0.00 H new ATOM 0 HA ASN A 18 1.962 -14.339 -1.776 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.044 -12.998 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.432 -12.907 -2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.948 -16.000 -4.724 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.973 -14.252 -4.981 1.00 0.00 H new ATOM 267 N THR A 19 4.005 -14.588 -0.148 1.00 0.00 N ATOM 268 CA THR A 19 4.753 -14.708 1.090 1.00 0.00 C ATOM 269 C THR A 19 6.182 -14.187 0.940 1.00 0.00 C ATOM 270 O THR A 19 6.643 -13.457 1.814 1.00 0.00 O ATOM 271 CB THR A 19 4.703 -16.151 1.631 1.00 0.00 C ATOM 272 OG1 THR A 19 4.403 -17.124 0.638 1.00 0.00 O ATOM 273 CG2 THR A 19 3.656 -16.262 2.739 1.00 0.00 C ATOM 0 H THR A 19 3.965 -15.441 -0.705 1.00 0.00 H new ATOM 0 HA THR A 19 4.273 -14.073 1.834 1.00 0.00 H new ATOM 0 HB THR A 19 5.705 -16.359 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.389 -18.015 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.630 -17.285 3.113 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.914 -15.584 3.553 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.676 -15.996 2.342 1.00 0.00 H new ATOM 281 N GLU A 20 6.890 -14.534 -0.136 1.00 0.00 N ATOM 282 CA GLU A 20 8.335 -14.297 -0.239 1.00 0.00 C ATOM 283 C GLU A 20 8.682 -12.892 -0.780 1.00 0.00 C ATOM 284 O GLU A 20 9.766 -12.666 -1.330 1.00 0.00 O ATOM 285 CB GLU A 20 8.952 -15.403 -1.106 1.00 0.00 C ATOM 286 CG GLU A 20 10.395 -15.729 -0.724 1.00 0.00 C ATOM 287 CD GLU A 20 10.453 -16.827 0.334 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.011 -16.607 1.485 1.00 0.00 O ATOM 289 OE2 GLU A 20 10.927 -17.936 0.000 1.00 0.00 O ATOM 0 H GLU A 20 6.484 -14.984 -0.956 1.00 0.00 H new ATOM 0 HA GLU A 20 8.760 -14.329 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.347 -16.305 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.919 -15.097 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.946 -16.045 -1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.886 -14.831 -0.347 1.00 0.00 H new ATOM 296 N THR A 21 7.738 -11.956 -0.730 1.00 0.00 N ATOM 297 CA THR A 21 7.887 -10.603 -1.236 1.00 0.00 C ATOM 298 C THR A 21 8.698 -9.773 -0.237 1.00 0.00 C ATOM 299 O THR A 21 8.613 -10.003 0.971 1.00 0.00 O ATOM 300 CB THR A 21 6.467 -10.052 -1.437 1.00 0.00 C ATOM 301 OG1 THR A 21 5.827 -10.824 -2.432 1.00 0.00 O ATOM 302 CG2 THR A 21 6.449 -8.586 -1.855 1.00 0.00 C ATOM 0 H THR A 21 6.819 -12.129 -0.322 1.00 0.00 H new ATOM 0 HA THR A 21 8.428 -10.569 -2.182 1.00 0.00 H new ATOM 0 HB THR A 21 5.949 -10.116 -0.480 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.917 -10.487 -2.573 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.418 -8.256 -1.981 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.932 -7.983 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.985 -8.470 -2.797 1.00 0.00 H new ATOM 310 N ASN A 22 9.419 -8.746 -0.711 1.00 0.00 N ATOM 311 CA ASN A 22 9.986 -7.716 0.154 1.00 0.00 C ATOM 312 C ASN A 22 9.701 -6.325 -0.418 1.00 0.00 C ATOM 313 O ASN A 22 9.284 -6.182 -1.563 1.00 0.00 O ATOM 314 CB ASN A 22 11.497 -7.895 0.362 1.00 0.00 C ATOM 315 CG ASN A 22 11.875 -9.027 1.284 1.00 0.00 C ATOM 316 OD1 ASN A 22 12.263 -8.785 2.430 1.00 0.00 O ATOM 317 ND2 ASN A 22 11.867 -10.248 0.812 1.00 0.00 N ATOM 0 H ASN A 22 9.621 -8.612 -1.702 1.00 0.00 H new ATOM 0 HA ASN A 22 9.506 -7.817 1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.967 -8.062 -0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.908 -6.967 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.186 -11.022 1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.542 -10.425 -0.138 1.00 0.00 H new ATOM 324 N GLU A 23 9.974 -5.295 0.386 1.00 0.00 N ATOM 325 CA GLU A 23 9.665 -3.868 0.172 1.00 0.00 C ATOM 326 C GLU A 23 10.142 -3.399 -1.204 1.00 0.00 C ATOM 327 O GLU A 23 9.419 -2.738 -1.937 1.00 0.00 O ATOM 328 CB GLU A 23 10.352 -3.015 1.264 1.00 0.00 C ATOM 329 CG GLU A 23 9.984 -3.416 2.700 1.00 0.00 C ATOM 330 CD GLU A 23 11.194 -3.438 3.643 1.00 0.00 C ATOM 331 OE1 GLU A 23 12.128 -4.236 3.393 1.00 0.00 O ATOM 332 OE2 GLU A 23 11.160 -2.832 4.735 1.00 0.00 O ATOM 0 H GLU A 23 10.454 -5.442 1.274 1.00 0.00 H new ATOM 0 HA GLU A 23 8.583 -3.746 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.433 -3.092 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.088 -1.969 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.241 -2.719 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.521 -4.403 2.689 1.00 0.00 H new ATOM 339 N LYS A 24 11.351 -3.795 -1.582 1.00 0.00 N ATOM 340 CA LYS A 24 11.974 -3.529 -2.873 1.00 0.00 C ATOM 341 C LYS A 24 11.064 -3.866 -4.059 1.00 0.00 C ATOM 342 O LYS A 24 11.001 -3.096 -5.015 1.00 0.00 O ATOM 343 CB LYS A 24 13.336 -4.241 -2.923 1.00 0.00 C ATOM 344 CG LYS A 24 13.285 -5.721 -2.488 1.00 0.00 C ATOM 345 CD LYS A 24 14.675 -6.358 -2.402 1.00 0.00 C ATOM 346 CE LYS A 24 15.448 -5.803 -1.196 1.00 0.00 C ATOM 347 NZ LYS A 24 16.782 -6.411 -1.023 1.00 0.00 N ATOM 0 H LYS A 24 11.955 -4.338 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 24 12.142 -2.456 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.727 -4.184 -3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.037 -3.708 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.795 -5.794 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.675 -6.283 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.581 -7.440 -2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.230 -6.160 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.561 -4.725 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.862 -5.967 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.249 -5.993 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.681 -7.437 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.357 -6.233 -1.871 1.00 0.00 H new ATOM 361 N ALA A 25 10.322 -4.974 -4.006 1.00 0.00 N ATOM 362 CA ALA A 25 9.408 -5.319 -5.081 1.00 0.00 C ATOM 363 C ALA A 25 8.160 -4.431 -5.059 1.00 0.00 C ATOM 364 O ALA A 25 7.628 -4.134 -6.131 1.00 0.00 O ATOM 365 CB ALA A 25 9.041 -6.797 -4.987 1.00 0.00 C ATOM 0 H ALA A 25 10.340 -5.639 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 25 9.906 -5.142 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.355 -7.054 -5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.944 -7.402 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.562 -6.993 -4.028 1.00 0.00 H new ATOM 371 N LEU A 26 7.701 -3.987 -3.883 1.00 0.00 N ATOM 372 CA LEU A 26 6.578 -3.061 -3.727 1.00 0.00 C ATOM 373 C LEU A 26 6.951 -1.720 -4.357 1.00 0.00 C ATOM 374 O LEU A 26 6.128 -1.134 -5.065 1.00 0.00 O ATOM 375 CB LEU A 26 6.187 -2.864 -2.249 1.00 0.00 C ATOM 376 CG LEU A 26 5.367 -3.984 -1.585 1.00 0.00 C ATOM 377 CD1 LEU A 26 3.906 -4.005 -2.052 1.00 0.00 C ATOM 378 CD2 LEU A 26 5.958 -5.380 -1.726 1.00 0.00 C ATOM 0 H LEU A 26 8.112 -4.270 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 26 5.711 -3.488 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.102 -2.728 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.619 -1.937 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 26 5.407 -3.725 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.376 -4.815 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.432 -3.055 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.871 -4.161 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.311 -6.101 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.039 -5.636 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.948 -5.404 -1.270 1.00 0.00 H new ATOM 390 N GLU A 27 8.195 -1.263 -4.156 1.00 0.00 N ATOM 391 CA GLU A 27 8.701 -0.036 -4.765 1.00 0.00 C ATOM 392 C GLU A 27 8.554 -0.108 -6.285 1.00 0.00 C ATOM 393 O GLU A 27 8.266 0.894 -6.935 1.00 0.00 O ATOM 394 CB GLU A 27 10.198 0.178 -4.518 1.00 0.00 C ATOM 395 CG GLU A 27 10.721 0.343 -3.089 1.00 0.00 C ATOM 396 CD GLU A 27 12.254 0.239 -3.095 1.00 0.00 C ATOM 397 OE1 GLU A 27 12.886 0.509 -4.147 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.867 -0.182 -2.086 1.00 0.00 O ATOM 0 H GLU A 27 8.876 -1.739 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 27 8.124 0.772 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.724 -0.668 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.495 1.065 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.412 1.307 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.295 -0.425 -2.443 1.00 0.00 H new ATOM 405 N ALA A 28 8.820 -1.276 -6.872 1.00 0.00 N ATOM 406 CA ALA A 28 8.799 -1.458 -8.311 1.00 0.00 C ATOM 407 C ALA A 28 7.357 -1.519 -8.814 1.00 0.00 C ATOM 408 O ALA A 28 7.035 -0.802 -9.760 1.00 0.00 O ATOM 409 CB ALA A 28 9.605 -2.699 -8.688 1.00 0.00 C ATOM 0 H ALA A 28 9.056 -2.122 -6.354 1.00 0.00 H new ATOM 0 HA ALA A 28 9.270 -0.605 -8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.586 -2.831 -9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.636 -2.578 -8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.169 -3.575 -8.208 1.00 0.00 H new ATOM 415 N VAL A 29 6.497 -2.327 -8.175 1.00 0.00 N ATOM 416 CA VAL A 29 5.070 -2.438 -8.488 1.00 0.00 C ATOM 417 C VAL A 29 4.436 -1.057 -8.595 1.00 0.00 C ATOM 418 O VAL A 29 3.805 -0.746 -9.605 1.00 0.00 O ATOM 419 CB VAL A 29 4.348 -3.288 -7.413 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.821 -3.147 -7.448 1.00 0.00 C ATOM 421 CG2 VAL A 29 4.645 -4.782 -7.593 1.00 0.00 C ATOM 0 H VAL A 29 6.785 -2.935 -7.408 1.00 0.00 H new ATOM 0 HA VAL A 29 4.965 -2.937 -9.451 1.00 0.00 H new ATOM 0 HB VAL A 29 4.730 -2.909 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.380 -3.769 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.548 -2.105 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.448 -3.466 -8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.124 -5.352 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.304 -5.105 -8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.718 -4.953 -7.507 1.00 0.00 H new ATOM 431 N PHE A 30 4.537 -0.265 -7.527 1.00 0.00 N ATOM 432 CA PHE A 30 3.751 0.946 -7.407 1.00 0.00 C ATOM 433 C PHE A 30 4.538 2.181 -7.850 1.00 0.00 C ATOM 434 O PHE A 30 3.936 3.225 -8.104 1.00 0.00 O ATOM 435 CB PHE A 30 3.238 1.075 -5.973 1.00 0.00 C ATOM 436 CG PHE A 30 2.199 0.064 -5.541 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.876 0.165 -6.012 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.531 -0.933 -4.602 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.116 -0.702 -5.525 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.540 -1.805 -4.122 1.00 0.00 C ATOM 441 CZ PHE A 30 0.214 -1.677 -4.567 1.00 0.00 C ATOM 0 H PHE A 30 5.157 -0.447 -6.738 1.00 0.00 H new ATOM 0 HA PHE A 30 2.895 0.880 -8.079 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.090 1.001 -5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.818 2.073 -5.848 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.623 0.912 -6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.548 -1.027 -4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.131 -0.620 -5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.798 -2.575 -3.410 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.553 -2.328 -4.173 1.00 0.00 H new ATOM 451 N GLY A 31 5.863 2.085 -7.996 1.00 0.00 N ATOM 452 CA GLY A 31 6.719 3.172 -8.446 1.00 0.00 C ATOM 453 C GLY A 31 6.678 3.284 -9.962 1.00 0.00 C ATOM 454 O GLY A 31 7.710 3.202 -10.637 1.00 0.00 O ATOM 0 H GLY A 31 6.376 1.226 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.393 4.110 -7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.743 2.998 -8.115 1.00 0.00 H new ATOM 458 N LYS A 32 5.456 3.420 -10.476 1.00 0.00 N ATOM 459 CA LYS A 32 5.065 3.767 -11.829 1.00 0.00 C ATOM 460 C LYS A 32 3.765 4.596 -11.810 1.00 0.00 C ATOM 461 O LYS A 32 3.111 4.736 -12.846 1.00 0.00 O ATOM 462 CB LYS A 32 4.911 2.481 -12.649 1.00 0.00 C ATOM 463 CG LYS A 32 3.792 1.559 -12.145 1.00 0.00 C ATOM 464 CD LYS A 32 3.607 0.371 -13.091 1.00 0.00 C ATOM 465 CE LYS A 32 2.352 -0.412 -12.701 1.00 0.00 C ATOM 466 NZ LYS A 32 1.867 -1.220 -13.832 1.00 0.00 N ATOM 0 H LYS A 32 4.635 3.273 -9.888 1.00 0.00 H new ATOM 0 HA LYS A 32 5.833 4.383 -12.297 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.713 2.744 -13.688 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.854 1.935 -12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.032 1.200 -11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.860 2.118 -12.068 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.522 0.723 -14.119 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.481 -0.279 -13.048 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.571 -1.060 -11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.572 0.279 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.015 -1.743 -13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.637 -0.596 -14.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.606 -1.893 -14.120 1.00 0.00 H new ATOM 480 N TYR A 33 3.338 5.057 -10.626 1.00 0.00 N ATOM 481 CA TYR A 33 2.098 5.805 -10.421 1.00 0.00 C ATOM 482 C TYR A 33 2.346 7.212 -9.886 1.00 0.00 C ATOM 483 O TYR A 33 1.401 7.993 -9.769 1.00 0.00 O ATOM 484 CB TYR A 33 1.188 5.043 -9.445 1.00 0.00 C ATOM 485 CG TYR A 33 0.525 3.848 -10.082 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.574 4.054 -10.926 1.00 0.00 C ATOM 487 CD2 TYR A 33 1.011 2.547 -9.876 1.00 0.00 C ATOM 488 CE1 TYR A 33 -1.150 2.977 -11.603 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.446 1.457 -10.554 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.613 1.682 -11.459 1.00 0.00 C ATOM 491 OH TYR A 33 -1.080 0.659 -12.220 1.00 0.00 O ATOM 0 H TYR A 33 3.863 4.914 -9.763 1.00 0.00 H new ATOM 0 HA TYR A 33 1.617 5.903 -11.394 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.776 4.714 -8.588 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.422 5.719 -9.065 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.977 5.048 -11.053 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.828 2.384 -9.189 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.009 3.137 -12.238 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.817 0.457 -10.385 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.478 1.017 -13.041 1.00 0.00 H new ATOM 501 N GLY A 34 3.581 7.540 -9.513 1.00 0.00 N ATOM 502 CA GLY A 34 3.829 8.516 -8.471 1.00 0.00 C ATOM 503 C GLY A 34 5.105 8.155 -7.737 1.00 0.00 C ATOM 504 O GLY A 34 5.926 7.389 -8.262 1.00 0.00 O ATOM 0 H GLY A 34 4.424 7.139 -9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.915 9.513 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.991 8.542 -7.775 1.00 0.00 H new ATOM 508 N ARG A 35 5.285 8.700 -6.536 1.00 0.00 N ATOM 509 CA ARG A 35 6.529 8.604 -5.791 1.00 0.00 C ATOM 510 C ARG A 35 6.252 8.032 -4.421 1.00 0.00 C ATOM 511 O ARG A 35 5.658 8.678 -3.565 1.00 0.00 O ATOM 512 CB ARG A 35 7.220 9.966 -5.732 1.00 0.00 C ATOM 513 CG ARG A 35 8.632 9.806 -5.163 1.00 0.00 C ATOM 514 CD ARG A 35 9.493 10.997 -5.563 1.00 0.00 C ATOM 515 NE ARG A 35 10.912 10.696 -5.351 1.00 0.00 N ATOM 516 CZ ARG A 35 11.919 11.393 -5.869 1.00 0.00 C ATOM 517 NH1 ARG A 35 11.691 12.519 -6.536 1.00 0.00 N ATOM 518 NH2 ARG A 35 13.156 10.943 -5.728 1.00 0.00 N ATOM 0 H ARG A 35 4.559 9.227 -6.050 1.00 0.00 H new ATOM 0 HA ARG A 35 7.217 7.927 -6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.267 10.404 -6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.643 10.650 -5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.588 9.727 -4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.079 8.883 -5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.320 11.244 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.209 11.872 -4.978 1.00 0.00 H new ATOM 0 HE ARG A 35 11.143 9.895 -4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.736 12.857 -6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.471 13.046 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.328 10.071 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.938 11.468 -6.121 1.00 0.00 H new ATOM 532 N ILE A 36 6.682 6.797 -4.219 1.00 0.00 N ATOM 533 CA ILE A 36 6.687 6.181 -2.907 1.00 0.00 C ATOM 534 C ILE A 36 7.848 6.805 -2.143 1.00 0.00 C ATOM 535 O ILE A 36 8.928 6.982 -2.714 1.00 0.00 O ATOM 536 CB ILE A 36 6.876 4.663 -3.069 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.763 4.050 -3.942 1.00 0.00 C ATOM 538 CG2 ILE A 36 6.910 3.944 -1.715 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.219 2.744 -4.579 1.00 0.00 C ATOM 0 H ILE A 36 7.037 6.195 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 36 5.753 6.342 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 36 7.838 4.522 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.877 3.871 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.477 4.757 -4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.045 2.874 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.737 4.329 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.972 4.117 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.413 2.336 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.090 2.930 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.481 2.030 -3.798 1.00 0.00 H new ATOM 551 N VAL A 37 7.638 7.077 -0.860 1.00 0.00 N ATOM 552 CA VAL A 37 8.687 7.470 0.080 1.00 0.00 C ATOM 553 C VAL A 37 8.618 6.644 1.370 1.00 0.00 C ATOM 554 O VAL A 37 9.357 6.905 2.316 1.00 0.00 O ATOM 555 CB VAL A 37 8.615 8.990 0.338 1.00 0.00 C ATOM 556 CG1 VAL A 37 9.050 9.745 -0.922 1.00 0.00 C ATOM 557 CG2 VAL A 37 7.213 9.476 0.754 1.00 0.00 C ATOM 0 H VAL A 37 6.713 7.030 -0.432 1.00 0.00 H new ATOM 0 HA VAL A 37 9.661 7.256 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 37 9.286 9.195 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.999 10.818 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.073 9.469 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.388 9.486 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.235 10.553 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.499 9.245 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.912 8.974 1.674 1.00 0.00 H new ATOM 567 N GLU A 38 7.704 5.674 1.444 1.00 0.00 N ATOM 568 CA GLU A 38 7.374 4.970 2.666 1.00 0.00 C ATOM 569 C GLU A 38 6.854 3.582 2.289 1.00 0.00 C ATOM 570 O GLU A 38 5.875 3.458 1.553 1.00 0.00 O ATOM 571 CB GLU A 38 6.320 5.789 3.427 1.00 0.00 C ATOM 572 CG GLU A 38 6.916 6.789 4.419 1.00 0.00 C ATOM 573 CD GLU A 38 5.881 7.259 5.442 1.00 0.00 C ATOM 574 OE1 GLU A 38 5.150 8.240 5.181 1.00 0.00 O ATOM 575 OE2 GLU A 38 5.883 6.733 6.578 1.00 0.00 O ATOM 0 H GLU A 38 7.168 5.357 0.637 1.00 0.00 H new ATOM 0 HA GLU A 38 8.242 4.849 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.703 6.328 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.661 5.107 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.757 6.329 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.308 7.649 3.877 1.00 0.00 H new ATOM 582 N VAL A 39 7.512 2.535 2.787 1.00 0.00 N ATOM 583 CA VAL A 39 7.233 1.138 2.487 1.00 0.00 C ATOM 584 C VAL A 39 7.215 0.396 3.823 1.00 0.00 C ATOM 585 O VAL A 39 8.244 0.306 4.500 1.00 0.00 O ATOM 586 CB VAL A 39 8.263 0.543 1.487 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.609 -0.646 0.787 1.00 0.00 C ATOM 588 CG2 VAL A 39 8.722 1.522 0.398 1.00 0.00 C ATOM 0 H VAL A 39 8.288 2.647 3.439 1.00 0.00 H new ATOM 0 HA VAL A 39 6.270 1.034 1.988 1.00 0.00 H new ATOM 0 HB VAL A 39 9.144 0.274 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.312 -1.083 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.328 -1.395 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.719 -0.310 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.439 1.027 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.861 1.846 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.192 2.389 0.863 1.00 0.00 H new ATOM 598 N LEU A 40 6.038 -0.078 4.244 1.00 0.00 N ATOM 599 CA LEU A 40 5.851 -0.812 5.493 1.00 0.00 C ATOM 600 C LEU A 40 5.376 -2.217 5.134 1.00 0.00 C ATOM 601 O LEU A 40 4.182 -2.504 5.081 1.00 0.00 O ATOM 602 CB LEU A 40 4.875 -0.079 6.440 1.00 0.00 C ATOM 603 CG LEU A 40 5.514 0.841 7.496 1.00 0.00 C ATOM 604 CD1 LEU A 40 6.537 0.099 8.365 1.00 0.00 C ATOM 605 CD2 LEU A 40 6.127 2.117 6.910 1.00 0.00 C ATOM 0 H LEU A 40 5.175 0.042 3.714 1.00 0.00 H new ATOM 0 HA LEU A 40 6.790 -0.877 6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.193 0.517 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.273 -0.826 6.956 1.00 0.00 H new ATOM 0 HG LEU A 40 4.687 1.156 8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.962 0.788 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.045 -0.723 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.333 -0.296 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.558 2.715 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.907 1.851 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.353 2.693 6.404 1.00 0.00 H new ATOM 617 N LEU A 41 6.301 -3.114 4.802 1.00 0.00 N ATOM 618 CA LEU A 41 5.958 -4.511 4.595 1.00 0.00 C ATOM 619 C LEU A 41 5.724 -5.120 5.969 1.00 0.00 C ATOM 620 O LEU A 41 6.598 -5.022 6.833 1.00 0.00 O ATOM 621 CB LEU A 41 7.074 -5.237 3.840 1.00 0.00 C ATOM 622 CG LEU A 41 6.600 -6.603 3.307 1.00 0.00 C ATOM 623 CD1 LEU A 41 6.064 -6.475 1.879 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.755 -7.598 3.317 1.00 0.00 C ATOM 0 H LEU A 41 7.289 -2.896 4.672 1.00 0.00 H new ATOM 0 HA LEU A 41 5.061 -4.607 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.414 -4.619 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.929 -5.380 4.501 1.00 0.00 H new ATOM 0 HG LEU A 41 5.800 -6.958 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.736 -7.452 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.222 -5.783 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.852 -6.099 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.410 -8.560 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.561 -7.227 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.122 -7.719 4.336 1.00 0.00 H new ATOM 636 N MET A 42 4.561 -5.731 6.187 1.00 0.00 N ATOM 637 CA MET A 42 4.356 -6.533 7.382 1.00 0.00 C ATOM 638 C MET A 42 5.059 -7.862 7.158 1.00 0.00 C ATOM 639 O MET A 42 4.762 -8.533 6.164 1.00 0.00 O ATOM 640 CB MET A 42 2.865 -6.753 7.664 1.00 0.00 C ATOM 641 CG MET A 42 2.094 -5.445 7.857 1.00 0.00 C ATOM 642 SD MET A 42 2.781 -4.240 9.046 1.00 0.00 S ATOM 643 CE MET A 42 3.128 -5.312 10.472 1.00 0.00 C ATOM 0 H MET A 42 3.759 -5.685 5.559 1.00 0.00 H new ATOM 0 HA MET A 42 4.764 -6.017 8.251 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.423 -7.310 6.838 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.757 -7.368 8.558 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.013 -4.954 6.887 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.081 -5.693 8.174 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.998 -4.745 11.394 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.441 -6.158 10.467 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.153 -5.677 10.412 1.00 0.00 H new ATOM 653 N LYS A 43 5.963 -8.242 8.060 1.00 0.00 N ATOM 654 CA LYS A 43 6.621 -9.538 8.033 1.00 0.00 C ATOM 655 C LYS A 43 6.069 -10.442 9.119 1.00 0.00 C ATOM 656 O LYS A 43 5.619 -10.005 10.182 1.00 0.00 O ATOM 657 CB LYS A 43 8.150 -9.418 8.138 1.00 0.00 C ATOM 658 CG LYS A 43 8.721 -8.906 6.810 1.00 0.00 C ATOM 659 CD LYS A 43 10.254 -8.902 6.795 1.00 0.00 C ATOM 660 CE LYS A 43 10.713 -8.722 5.344 1.00 0.00 C ATOM 661 NZ LYS A 43 12.172 -8.538 5.218 1.00 0.00 N ATOM 0 H LYS A 43 6.259 -7.650 8.836 1.00 0.00 H new ATOM 0 HA LYS A 43 6.406 -9.989 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.416 -8.737 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.585 -10.387 8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.354 -9.530 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.356 -7.895 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.639 -8.096 7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.642 -9.835 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.411 -9.593 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.205 -7.859 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.443 -8.591 4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.439 -7.608 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.663 -9.285 5.750 1.00 0.00 H new ATOM 675 N ASP A 44 6.123 -11.719 8.789 1.00 0.00 N ATOM 676 CA ASP A 44 5.867 -12.881 9.613 1.00 0.00 C ATOM 677 C ASP A 44 6.997 -13.008 10.638 1.00 0.00 C ATOM 678 O ASP A 44 8.049 -12.377 10.498 1.00 0.00 O ATOM 679 CB ASP A 44 5.853 -14.101 8.677 1.00 0.00 C ATOM 680 CG ASP A 44 5.029 -15.253 9.217 1.00 0.00 C ATOM 681 OD1 ASP A 44 5.545 -15.987 10.082 1.00 0.00 O ATOM 682 OD2 ASP A 44 3.882 -15.459 8.766 1.00 0.00 O ATOM 0 H ASP A 44 6.373 -11.993 7.839 1.00 0.00 H new ATOM 0 HA ASP A 44 4.919 -12.804 10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.457 -13.802 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.876 -14.439 8.514 1.00 0.00 H new ATOM 687 N ARG A 45 6.852 -13.874 11.641 1.00 0.00 N ATOM 688 CA ARG A 45 7.895 -14.158 12.626 1.00 0.00 C ATOM 689 C ARG A 45 8.445 -15.582 12.497 1.00 0.00 C ATOM 690 O ARG A 45 9.269 -16.026 13.298 1.00 0.00 O ATOM 691 CB ARG A 45 7.353 -13.812 14.023 1.00 0.00 C ATOM 692 CG ARG A 45 8.505 -13.724 15.028 1.00 0.00 C ATOM 693 CD ARG A 45 8.635 -14.956 15.927 1.00 0.00 C ATOM 694 NE ARG A 45 8.197 -14.707 17.297 1.00 0.00 N ATOM 695 CZ ARG A 45 8.179 -15.608 18.279 1.00 0.00 C ATOM 696 NH1 ARG A 45 8.527 -16.874 18.056 1.00 0.00 N ATOM 697 NH2 ARG A 45 7.799 -15.203 19.479 1.00 0.00 N ATOM 0 H ARG A 45 5.995 -14.405 11.794 1.00 0.00 H new ATOM 0 HA ARG A 45 8.766 -13.529 12.440 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.817 -12.864 13.989 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.639 -14.571 14.343 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.439 -13.582 14.484 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.363 -12.843 15.653 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.047 -15.771 15.505 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.674 -15.284 15.937 1.00 0.00 H new ATOM 0 HE ARG A 45 7.878 -13.765 17.522 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.813 -17.167 17.122 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.507 -17.550 18.819 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.532 -14.230 19.628 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.772 -15.864 20.256 1.00 0.00 H new ATOM 711 N GLU A 46 8.027 -16.308 11.473 1.00 0.00 N ATOM 712 CA GLU A 46 8.596 -17.573 11.084 1.00 0.00 C ATOM 713 C GLU A 46 9.923 -17.274 10.393 1.00 0.00 C ATOM 714 O GLU A 46 10.977 -17.501 10.981 1.00 0.00 O ATOM 715 CB GLU A 46 7.573 -18.271 10.185 1.00 0.00 C ATOM 716 CG GLU A 46 8.029 -19.597 9.592 1.00 0.00 C ATOM 717 CD GLU A 46 8.402 -20.684 10.591 1.00 0.00 C ATOM 718 OE1 GLU A 46 7.916 -20.657 11.742 1.00 0.00 O ATOM 719 OE2 GLU A 46 9.180 -21.563 10.158 1.00 0.00 O ATOM 0 H GLU A 46 7.255 -16.016 10.874 1.00 0.00 H new ATOM 0 HA GLU A 46 8.806 -18.242 11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.664 -18.443 10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.311 -17.597 9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.234 -19.978 8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.891 -19.408 8.952 1.00 0.00 H new ATOM 726 N THR A 47 9.891 -16.741 9.163 1.00 0.00 N ATOM 727 CA THR A 47 11.076 -16.743 8.311 1.00 0.00 C ATOM 728 C THR A 47 10.991 -15.629 7.263 1.00 0.00 C ATOM 729 O THR A 47 10.899 -15.873 6.064 1.00 0.00 O ATOM 730 CB THR A 47 11.286 -18.172 7.768 1.00 0.00 C ATOM 731 OG1 THR A 47 12.587 -18.302 7.246 1.00 0.00 O ATOM 732 CG2 THR A 47 10.239 -18.665 6.777 1.00 0.00 C ATOM 0 H THR A 47 9.066 -16.310 8.745 1.00 0.00 H new ATOM 0 HA THR A 47 11.980 -16.499 8.870 1.00 0.00 H new ATOM 0 HB THR A 47 11.156 -18.828 8.629 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.713 -19.212 6.905 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.485 -19.679 6.462 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.258 -18.661 7.252 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.224 -18.008 5.907 1.00 0.00 H new ATOM 740 N ASN A 48 10.988 -14.372 7.712 1.00 0.00 N ATOM 741 CA ASN A 48 11.024 -13.150 6.892 1.00 0.00 C ATOM 742 C ASN A 48 9.848 -12.955 5.920 1.00 0.00 C ATOM 743 O ASN A 48 9.755 -11.880 5.326 1.00 0.00 O ATOM 744 CB ASN A 48 12.349 -13.049 6.107 1.00 0.00 C ATOM 745 CG ASN A 48 13.596 -13.449 6.880 1.00 0.00 C ATOM 746 OD1 ASN A 48 14.264 -14.422 6.533 1.00 0.00 O ATOM 747 ND2 ASN A 48 13.924 -12.749 7.950 1.00 0.00 N ATOM 0 H ASN A 48 10.959 -14.164 8.710 1.00 0.00 H new ATOM 0 HA ASN A 48 10.937 -12.348 7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.275 -13.677 5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.470 -12.022 5.761 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.741 -13.013 8.501 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.361 -11.945 8.226 1.00 0.00 H new ATOM 754 N LYS A 49 8.955 -13.946 5.784 1.00 0.00 N ATOM 755 CA LYS A 49 7.790 -13.966 4.899 1.00 0.00 C ATOM 756 C LYS A 49 6.917 -12.751 5.178 1.00 0.00 C ATOM 757 O LYS A 49 6.983 -12.196 6.268 1.00 0.00 O ATOM 758 CB LYS A 49 6.985 -15.258 5.153 1.00 0.00 C ATOM 759 CG LYS A 49 7.664 -16.545 4.656 1.00 0.00 C ATOM 760 CD LYS A 49 7.141 -17.782 5.408 1.00 0.00 C ATOM 761 CE LYS A 49 7.641 -19.055 4.713 1.00 0.00 C ATOM 762 NZ LYS A 49 7.278 -20.296 5.429 1.00 0.00 N ATOM 0 H LYS A 49 9.036 -14.807 6.325 1.00 0.00 H new ATOM 0 HA LYS A 49 8.116 -13.939 3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.800 -15.351 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.013 -15.166 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.484 -16.664 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.743 -16.465 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.482 -17.762 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.051 -17.772 5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.231 -19.094 3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.725 -19.005 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.645 -21.118 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.690 -20.279 6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.243 -20.366 5.500 1.00 0.00 H new ATOM 776 N SER A 50 6.029 -12.377 4.269 1.00 0.00 N ATOM 777 CA SER A 50 5.017 -11.368 4.514 1.00 0.00 C ATOM 778 C SER A 50 3.764 -11.998 5.129 1.00 0.00 C ATOM 779 O SER A 50 3.561 -13.214 5.072 1.00 0.00 O ATOM 780 CB SER A 50 4.716 -10.663 3.197 1.00 0.00 C ATOM 781 OG SER A 50 4.005 -9.457 3.427 1.00 0.00 O ATOM 0 H SER A 50 5.993 -12.773 3.330 1.00 0.00 H new ATOM 0 HA SER A 50 5.379 -10.634 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.647 -10.448 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.131 -11.319 2.553 1.00 0.00 H new ATOM 0 HG SER A 50 4.234 -9.106 4.313 1.00 0.00 H new ATOM 787 N ARG A 51 2.889 -11.156 5.689 1.00 0.00 N ATOM 788 CA ARG A 51 1.661 -11.567 6.383 1.00 0.00 C ATOM 789 C ARG A 51 0.449 -11.645 5.445 1.00 0.00 C ATOM 790 O ARG A 51 -0.687 -11.513 5.907 1.00 0.00 O ATOM 791 CB ARG A 51 1.387 -10.638 7.583 1.00 0.00 C ATOM 792 CG ARG A 51 2.591 -10.501 8.530 1.00 0.00 C ATOM 793 CD ARG A 51 2.199 -10.434 10.009 1.00 0.00 C ATOM 794 NE ARG A 51 1.329 -9.293 10.362 1.00 0.00 N ATOM 795 CZ ARG A 51 0.965 -9.017 11.623 1.00 0.00 C ATOM 796 NH1 ARG A 51 1.464 -9.729 12.627 1.00 0.00 N ATOM 797 NH2 ARG A 51 0.084 -8.057 11.900 1.00 0.00 N ATOM 0 H ARG A 51 3.017 -10.144 5.672 1.00 0.00 H new ATOM 0 HA ARG A 51 1.821 -12.579 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.109 -9.651 7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.534 -11.021 8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.261 -11.347 8.378 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.148 -9.602 8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.690 -11.359 10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.107 -10.382 10.610 1.00 0.00 H new ATOM 0 HE ARG A 51 0.990 -8.689 9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.123 -10.484 12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.188 -9.520 13.587 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.331 -7.512 11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.176 -7.867 12.868 1.00 0.00 H new ATOM 811 N GLY A 52 0.652 -11.751 4.130 1.00 0.00 N ATOM 812 CA GLY A 52 -0.427 -11.704 3.145 1.00 0.00 C ATOM 813 C GLY A 52 -1.007 -10.302 2.950 1.00 0.00 C ATOM 814 O GLY A 52 -1.943 -10.123 2.162 1.00 0.00 O ATOM 0 H GLY A 52 1.577 -11.873 3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.053 -12.071 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.224 -12.379 3.457 1.00 0.00 H new ATOM 818 N PHE A 53 -0.466 -9.279 3.618 1.00 0.00 N ATOM 819 CA PHE A 53 -0.759 -7.893 3.328 1.00 0.00 C ATOM 820 C PHE A 53 0.457 -7.050 3.676 1.00 0.00 C ATOM 821 O PHE A 53 1.340 -7.497 4.409 1.00 0.00 O ATOM 822 CB PHE A 53 -2.021 -7.438 4.064 1.00 0.00 C ATOM 823 CG PHE A 53 -1.905 -6.895 5.471 1.00 0.00 C ATOM 824 CD1 PHE A 53 -1.253 -7.626 6.480 1.00 0.00 C ATOM 825 CD2 PHE A 53 -2.506 -5.658 5.779 1.00 0.00 C ATOM 826 CE1 PHE A 53 -1.150 -7.089 7.773 1.00 0.00 C ATOM 827 CE2 PHE A 53 -2.421 -5.134 7.077 1.00 0.00 C ATOM 828 CZ PHE A 53 -1.709 -5.833 8.060 1.00 0.00 C ATOM 0 H PHE A 53 0.196 -9.404 4.384 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.967 -7.769 2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.496 -6.669 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.705 -8.286 4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.833 -8.597 6.261 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.034 -5.111 5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.640 -7.642 8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.902 -4.197 7.317 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.589 -5.404 9.044 1.00 0.00 H new ATOM 838 N ALA A 54 0.489 -5.835 3.145 1.00 0.00 N ATOM 839 CA ALA A 54 1.543 -4.870 3.351 1.00 0.00 C ATOM 840 C ALA A 54 0.945 -3.477 3.216 1.00 0.00 C ATOM 841 O ALA A 54 -0.208 -3.321 2.788 1.00 0.00 O ATOM 842 CB ALA A 54 2.634 -5.087 2.300 1.00 0.00 C ATOM 0 H ALA A 54 -0.252 -5.488 2.536 1.00 0.00 H new ATOM 0 HA ALA A 54 1.985 -4.983 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.433 -4.361 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.037 -6.095 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.210 -4.959 1.304 1.00 0.00 H new ATOM 848 N PHE A 55 1.750 -2.473 3.543 1.00 0.00 N ATOM 849 CA PHE A 55 1.404 -1.072 3.513 1.00 0.00 C ATOM 850 C PHE A 55 2.452 -0.365 2.650 1.00 0.00 C ATOM 851 O PHE A 55 3.647 -0.665 2.740 1.00 0.00 O ATOM 852 CB PHE A 55 1.348 -0.580 4.974 1.00 0.00 C ATOM 853 CG PHE A 55 1.044 0.882 5.209 1.00 0.00 C ATOM 854 CD1 PHE A 55 0.347 1.639 4.253 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.478 1.497 6.400 1.00 0.00 C ATOM 856 CE1 PHE A 55 0.176 3.013 4.441 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.256 2.870 6.605 1.00 0.00 C ATOM 858 CZ PHE A 55 0.616 3.633 5.621 1.00 0.00 C ATOM 0 H PHE A 55 2.709 -2.631 3.851 1.00 0.00 H new ATOM 0 HA PHE A 55 0.430 -0.864 3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.595 -1.168 5.498 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.308 -0.803 5.441 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.056 1.160 3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.982 0.913 7.156 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.299 3.603 3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.580 3.337 7.523 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.462 4.692 5.769 1.00 0.00 H new ATOM 868 N VAL A 56 2.006 0.540 1.784 1.00 0.00 N ATOM 869 CA VAL A 56 2.844 1.460 1.035 1.00 0.00 C ATOM 870 C VAL A 56 2.160 2.820 1.184 1.00 0.00 C ATOM 871 O VAL A 56 0.922 2.897 1.196 1.00 0.00 O ATOM 872 CB VAL A 56 2.976 1.008 -0.439 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.963 1.887 -1.219 1.00 0.00 C ATOM 874 CG2 VAL A 56 3.437 -0.452 -0.597 1.00 0.00 C ATOM 0 H VAL A 56 1.013 0.654 1.580 1.00 0.00 H new ATOM 0 HA VAL A 56 3.868 1.500 1.405 1.00 0.00 H new ATOM 0 HB VAL A 56 1.968 1.106 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.027 1.536 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.617 2.921 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.947 1.829 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.507 -0.699 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.414 -0.578 -0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.717 -1.115 -0.117 1.00 0.00 H new ATOM 884 N THR A 57 2.955 3.879 1.289 1.00 0.00 N ATOM 885 CA THR A 57 2.481 5.243 1.409 1.00 0.00 C ATOM 886 C THR A 57 3.210 6.061 0.360 1.00 0.00 C ATOM 887 O THR A 57 4.408 5.862 0.120 1.00 0.00 O ATOM 888 CB THR A 57 2.790 5.787 2.802 1.00 0.00 C ATOM 889 OG1 THR A 57 2.504 4.853 3.807 1.00 0.00 O ATOM 890 CG2 THR A 57 2.025 7.058 3.162 1.00 0.00 C ATOM 0 H THR A 57 3.972 3.805 1.293 1.00 0.00 H new ATOM 0 HA THR A 57 1.402 5.292 1.262 1.00 0.00 H new ATOM 0 HB THR A 57 3.856 6.010 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.533 4.748 3.889 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.302 7.377 4.167 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.272 7.845 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.954 6.860 3.127 1.00 0.00 H new ATOM 898 N PHE A 58 2.491 6.995 -0.247 1.00 0.00 N ATOM 899 CA PHE A 58 3.030 7.789 -1.324 1.00 0.00 C ATOM 900 C PHE A 58 3.207 9.221 -0.866 1.00 0.00 C ATOM 901 O PHE A 58 2.597 9.672 0.110 1.00 0.00 O ATOM 902 CB PHE A 58 2.156 7.677 -2.567 1.00 0.00 C ATOM 903 CG PHE A 58 1.929 6.262 -3.064 1.00 0.00 C ATOM 904 CD1 PHE A 58 1.042 5.402 -2.385 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.621 5.795 -4.196 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.908 4.069 -2.788 1.00 0.00 C ATOM 907 CE2 PHE A 58 2.426 4.478 -4.641 1.00 0.00 C ATOM 908 CZ PHE A 58 1.581 3.608 -3.929 1.00 0.00 C ATOM 0 H PHE A 58 1.526 7.217 -0.004 1.00 0.00 H new ATOM 0 HA PHE A 58 4.013 7.408 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.188 8.131 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.613 8.259 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.464 5.773 -1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.301 6.449 -4.722 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.285 3.394 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.927 4.132 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.451 2.588 -4.260 1.00 0.00 H new ATOM 918 N GLU A 59 4.116 9.911 -1.539 1.00 0.00 N ATOM 919 CA GLU A 59 4.535 11.247 -1.204 1.00 0.00 C ATOM 920 C GLU A 59 3.387 12.211 -1.476 1.00 0.00 C ATOM 921 O GLU A 59 3.057 13.032 -0.612 1.00 0.00 O ATOM 922 CB GLU A 59 5.766 11.591 -2.039 1.00 0.00 C ATOM 923 CG GLU A 59 6.564 12.740 -1.405 1.00 0.00 C ATOM 924 CD GLU A 59 7.040 13.717 -2.474 1.00 0.00 C ATOM 925 OE1 GLU A 59 7.900 13.345 -3.302 1.00 0.00 O ATOM 926 OE2 GLU A 59 6.507 14.853 -2.515 1.00 0.00 O ATOM 0 H GLU A 59 4.593 9.536 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 59 4.797 11.324 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.402 10.711 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.459 11.871 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.943 13.263 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.421 12.339 -0.863 1.00 0.00 H new ATOM 933 N SER A 60 2.746 12.119 -2.649 1.00 0.00 N ATOM 934 CA SER A 60 1.570 12.919 -2.893 1.00 0.00 C ATOM 935 C SER A 60 0.364 12.253 -2.188 1.00 0.00 C ATOM 936 O SER A 60 0.418 11.100 -1.756 1.00 0.00 O ATOM 937 CB SER A 60 1.388 13.097 -4.407 1.00 0.00 C ATOM 938 OG SER A 60 2.611 13.242 -5.123 1.00 0.00 O ATOM 0 H SER A 60 3.024 11.510 -3.418 1.00 0.00 H new ATOM 0 HA SER A 60 1.666 13.921 -2.476 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.847 12.237 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.767 13.974 -4.588 1.00 0.00 H new ATOM 0 HG SER A 60 2.420 13.349 -6.078 1.00 0.00 H new ATOM 944 N PRO A 61 -0.748 12.976 -2.015 1.00 0.00 N ATOM 945 CA PRO A 61 -2.012 12.411 -1.554 1.00 0.00 C ATOM 946 C PRO A 61 -2.885 11.937 -2.721 1.00 0.00 C ATOM 947 O PRO A 61 -3.966 11.395 -2.492 1.00 0.00 O ATOM 948 CB PRO A 61 -2.682 13.576 -0.828 1.00 0.00 C ATOM 949 CG PRO A 61 -2.237 14.782 -1.655 1.00 0.00 C ATOM 950 CD PRO A 61 -0.806 14.424 -2.027 1.00 0.00 C ATOM 0 HA PRO A 61 -1.864 11.533 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.767 13.474 -0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.353 13.651 0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.862 14.921 -2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.287 15.707 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.547 14.818 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.098 14.850 -1.316 1.00 0.00 H new ATOM 958 N ALA A 62 -2.475 12.210 -3.964 1.00 0.00 N ATOM 959 CA ALA A 62 -3.294 12.035 -5.154 1.00 0.00 C ATOM 960 C ALA A 62 -2.808 10.857 -5.976 1.00 0.00 C ATOM 961 O ALA A 62 -3.606 9.989 -6.324 1.00 0.00 O ATOM 962 CB ALA A 62 -3.298 13.331 -5.967 1.00 0.00 C ATOM 0 H ALA A 62 -1.542 12.567 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.319 11.813 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.912 13.200 -6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.707 14.139 -5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.278 13.579 -6.262 1.00 0.00 H new ATOM 968 N ASP A 63 -1.495 10.807 -6.190 1.00 0.00 N ATOM 969 CA ASP A 63 -0.781 9.684 -6.780 1.00 0.00 C ATOM 970 C ASP A 63 -1.168 8.367 -6.094 1.00 0.00 C ATOM 971 O ASP A 63 -1.404 7.361 -6.762 1.00 0.00 O ATOM 972 CB ASP A 63 0.732 9.991 -6.760 1.00 0.00 C ATOM 973 CG ASP A 63 1.485 9.680 -5.472 1.00 0.00 C ATOM 974 OD1 ASP A 63 0.896 9.951 -4.404 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.684 9.336 -5.568 1.00 0.00 O ATOM 0 H ASP A 63 -0.877 11.581 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.067 9.549 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.201 9.433 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.866 11.049 -6.983 1.00 0.00 H new ATOM 980 N ALA A 64 -1.381 8.424 -4.776 1.00 0.00 N ATOM 981 CA ALA A 64 -1.838 7.323 -3.943 1.00 0.00 C ATOM 982 C ALA A 64 -3.213 6.821 -4.385 1.00 0.00 C ATOM 983 O ALA A 64 -3.397 5.636 -4.642 1.00 0.00 O ATOM 984 CB ALA A 64 -1.896 7.793 -2.487 1.00 0.00 C ATOM 0 H ALA A 64 -1.231 9.280 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.137 6.495 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.238 6.974 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.903 8.109 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.588 8.631 -2.402 1.00 0.00 H new ATOM 990 N LYS A 65 -4.205 7.713 -4.464 1.00 0.00 N ATOM 991 CA LYS A 65 -5.584 7.344 -4.791 1.00 0.00 C ATOM 992 C LYS A 65 -5.612 6.621 -6.134 1.00 0.00 C ATOM 993 O LYS A 65 -6.332 5.631 -6.277 1.00 0.00 O ATOM 994 CB LYS A 65 -6.486 8.590 -4.843 1.00 0.00 C ATOM 995 CG LYS A 65 -6.602 9.331 -3.496 1.00 0.00 C ATOM 996 CD LYS A 65 -6.963 10.810 -3.697 1.00 0.00 C ATOM 997 CE LYS A 65 -8.403 11.030 -4.168 1.00 0.00 C ATOM 998 NZ LYS A 65 -8.514 12.119 -5.163 1.00 0.00 N ATOM 0 H LYS A 65 -4.074 8.712 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.964 6.682 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.096 9.278 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.482 8.292 -5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.362 8.850 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.658 9.256 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.811 11.343 -2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.280 11.246 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.785 10.106 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.031 11.262 -3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.508 12.228 -5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.175 13.008 -4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.937 11.888 -5.997 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.858 7.122 -7.114 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.767 6.559 -8.443 1.00 0.00 C ATOM 1014 C ASP A 66 -4.070 5.211 -8.439 1.00 0.00 C ATOM 1015 O ASP A 66 -4.512 4.309 -9.149 1.00 0.00 O ATOM 1016 CB ASP A 66 -4.025 7.515 -9.367 1.00 0.00 C ATOM 1017 CG ASP A 66 -4.997 8.460 -10.070 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -5.992 7.984 -10.675 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -4.803 9.694 -9.977 1.00 0.00 O ATOM 0 H ASP A 66 -4.281 7.954 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.784 6.411 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.301 8.093 -8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.463 6.947 -10.109 1.00 0.00 H new ATOM 1024 N ALA A 67 -3.019 5.043 -7.630 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.264 3.800 -7.590 1.00 0.00 C ATOM 1026 C ALA A 67 -3.149 2.617 -7.174 1.00 0.00 C ATOM 1027 O ALA A 67 -2.898 1.491 -7.597 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.050 3.951 -6.665 1.00 0.00 C ATOM 0 H ALA A 67 -2.675 5.761 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.903 3.584 -8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.492 3.015 -6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.407 4.749 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.388 4.197 -5.658 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.213 2.854 -6.398 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.248 1.851 -6.155 1.00 0.00 C ATOM 1036 C ALA A 68 -6.300 1.832 -7.271 1.00 0.00 C ATOM 1037 O ALA A 68 -6.758 0.759 -7.681 1.00 0.00 O ATOM 1038 CB ALA A 68 -5.908 2.119 -4.801 1.00 0.00 C ATOM 0 H ALA A 68 -4.377 3.742 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.775 0.869 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.680 1.372 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.157 2.065 -4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.358 3.112 -4.806 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.710 3.008 -7.764 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.821 3.114 -8.710 1.00 0.00 C ATOM 1046 C ARG A 69 -7.513 2.461 -10.043 1.00 0.00 C ATOM 1047 O ARG A 69 -8.456 2.028 -10.697 1.00 0.00 O ATOM 1048 CB ARG A 69 -8.251 4.579 -8.887 1.00 0.00 C ATOM 1049 CG ARG A 69 -9.449 4.882 -7.990 1.00 0.00 C ATOM 1050 CD ARG A 69 -9.566 6.351 -7.568 1.00 0.00 C ATOM 1051 NE ARG A 69 -10.387 7.132 -8.500 1.00 0.00 N ATOM 1052 CZ ARG A 69 -10.011 8.114 -9.322 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -8.738 8.481 -9.442 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -10.951 8.756 -9.995 1.00 0.00 N ATOM 0 H ARG A 69 -6.284 3.902 -7.520 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.659 2.562 -8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.423 5.243 -8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.509 4.768 -9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.361 4.592 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.384 4.263 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.000 6.407 -6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.570 6.790 -7.508 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.378 6.892 -8.523 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.017 8.008 -8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.483 9.235 -10.079 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.930 8.496 -9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.697 9.512 -10.631 1.00 0.00 H new ATOM 1068 N ASP A 70 -6.246 2.318 -10.416 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.833 1.426 -11.494 1.00 0.00 C ATOM 1070 C ASP A 70 -5.687 0.004 -10.938 1.00 0.00 C ATOM 1071 O ASP A 70 -6.400 -0.913 -11.348 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.521 1.950 -12.094 1.00 0.00 C ATOM 1073 CG ASP A 70 -3.976 1.136 -13.274 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -4.405 -0.004 -13.548 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -3.001 1.607 -13.904 1.00 0.00 O ATOM 0 H ASP A 70 -5.473 2.819 -9.978 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.579 1.397 -12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.674 2.978 -12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.765 1.975 -11.309 1.00 0.00 H new ATOM 1080 N MET A 71 -4.807 -0.193 -9.954 1.00 0.00 N ATOM 1081 CA MET A 71 -4.089 -1.449 -9.724 1.00 0.00 C ATOM 1082 C MET A 71 -4.767 -2.496 -8.819 1.00 0.00 C ATOM 1083 O MET A 71 -4.198 -3.570 -8.609 1.00 0.00 O ATOM 1084 CB MET A 71 -2.680 -1.065 -9.250 1.00 0.00 C ATOM 1085 CG MET A 71 -1.620 -1.900 -9.961 1.00 0.00 C ATOM 1086 SD MET A 71 -0.088 -2.046 -9.034 1.00 0.00 S ATOM 1087 CE MET A 71 -0.702 -3.313 -7.902 1.00 0.00 C ATOM 0 H MET A 71 -4.568 0.533 -9.279 1.00 0.00 H new ATOM 0 HA MET A 71 -4.073 -1.995 -10.667 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.504 -0.007 -9.441 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.602 -1.212 -8.173 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.019 -2.897 -10.149 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.407 -1.453 -10.932 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.249 -3.174 -6.920 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.786 -3.231 -7.817 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.442 -4.300 -8.285 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.966 -2.250 -8.287 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.744 -3.197 -7.495 1.00 0.00 C ATOM 1099 C ASN A 72 -7.245 -4.408 -8.316 1.00 0.00 C ATOM 1100 O ASN A 72 -7.316 -4.366 -9.545 1.00 0.00 O ATOM 1101 CB ASN A 72 -7.899 -2.365 -6.952 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.764 -3.003 -5.898 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -8.493 -4.085 -5.372 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -9.837 -2.313 -5.583 1.00 0.00 N ATOM 0 H ASN A 72 -6.436 -1.352 -8.402 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.141 -3.649 -6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.488 -1.443 -6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.537 -2.084 -7.790 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.483 -2.669 -4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.023 -1.422 -6.043 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.616 -5.499 -7.641 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.274 -6.705 -8.152 1.00 0.00 C ATOM 1113 C GLY A 73 -7.396 -7.667 -8.964 1.00 0.00 C ATOM 1114 O GLY A 73 -7.668 -8.875 -8.974 1.00 0.00 O ATOM 0 H GLY A 73 -7.450 -5.567 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.689 -7.253 -7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.113 -6.398 -8.776 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.362 -7.160 -9.644 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.531 -7.931 -10.573 1.00 0.00 C ATOM 1120 C LYS A 74 -4.735 -9.038 -9.881 1.00 0.00 C ATOM 1121 O LYS A 74 -4.762 -9.199 -8.662 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.625 -6.979 -11.379 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.520 -6.328 -10.531 1.00 0.00 C ATOM 1124 CD LYS A 74 -2.694 -5.290 -11.291 1.00 0.00 C ATOM 1125 CE LYS A 74 -2.009 -5.780 -12.568 1.00 0.00 C ATOM 1126 NZ LYS A 74 -0.646 -6.291 -12.332 1.00 0.00 N ATOM 0 H LYS A 74 -6.075 -6.185 -9.562 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.196 -8.447 -11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.166 -7.532 -12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.238 -6.197 -11.826 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.974 -5.852 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.855 -7.106 -10.158 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.346 -4.455 -11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.929 -4.901 -10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.613 -6.568 -13.018 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.965 -4.962 -13.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.160 -6.417 -13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.117 -5.612 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.699 -7.205 -11.838 1.00 0.00 H new ATOM 1140 N SER A 75 -3.982 -9.788 -10.672 1.00 0.00 N ATOM 1141 CA SER A 75 -3.028 -10.772 -10.209 1.00 0.00 C ATOM 1142 C SER A 75 -1.622 -10.184 -10.170 1.00 0.00 C ATOM 1143 O SER A 75 -1.319 -9.168 -10.815 1.00 0.00 O ATOM 1144 CB SER A 75 -3.160 -11.978 -11.146 1.00 0.00 C ATOM 1145 OG SER A 75 -3.062 -11.564 -12.502 1.00 0.00 O ATOM 0 H SER A 75 -4.024 -9.722 -11.689 1.00 0.00 H new ATOM 0 HA SER A 75 -3.228 -11.088 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.380 -12.706 -10.924 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.116 -12.474 -10.979 1.00 0.00 H new ATOM 0 HG SER A 75 -3.146 -12.344 -13.089 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.746 -10.850 -9.421 1.00 0.00 N ATOM 1152 CA LEU A 76 0.686 -10.620 -9.398 1.00 0.00 C ATOM 1153 C LEU A 76 1.342 -11.930 -9.006 1.00 0.00 C ATOM 1154 O LEU A 76 1.022 -12.468 -7.947 1.00 0.00 O ATOM 1155 CB LEU A 76 1.033 -9.568 -8.343 1.00 0.00 C ATOM 1156 CG LEU A 76 2.485 -9.062 -8.504 1.00 0.00 C ATOM 1157 CD1 LEU A 76 2.582 -7.993 -9.602 1.00 0.00 C ATOM 1158 CD2 LEU A 76 3.014 -8.527 -7.172 1.00 0.00 C ATOM 0 H LEU A 76 -1.033 -11.596 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 76 1.028 -10.270 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.343 -8.728 -8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.903 -9.993 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 76 3.106 -9.904 -8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.615 -7.656 -9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.254 -8.416 -10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.946 -7.147 -9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.037 -8.175 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.386 -7.702 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.996 -9.323 -6.427 1.00 0.00 H new ATOM 1170 N ASP A 77 2.252 -12.434 -9.831 1.00 0.00 N ATOM 1171 CA ASP A 77 3.114 -13.567 -9.499 1.00 0.00 C ATOM 1172 C ASP A 77 2.312 -14.822 -9.143 1.00 0.00 C ATOM 1173 O ASP A 77 2.768 -15.705 -8.408 1.00 0.00 O ATOM 1174 CB ASP A 77 4.184 -13.097 -8.495 1.00 0.00 C ATOM 1175 CG ASP A 77 5.355 -12.517 -9.288 1.00 0.00 C ATOM 1176 OD1 ASP A 77 5.129 -11.588 -10.095 1.00 0.00 O ATOM 1177 OD2 ASP A 77 6.456 -13.109 -9.336 1.00 0.00 O ATOM 0 H ASP A 77 2.416 -12.062 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 77 3.670 -13.913 -10.371 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.771 -12.346 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.518 -13.930 -7.877 1.00 0.00 H new ATOM 1182 N GLY A 78 1.110 -14.911 -9.721 1.00 0.00 N ATOM 1183 CA GLY A 78 0.163 -15.992 -9.547 1.00 0.00 C ATOM 1184 C GLY A 78 -0.672 -15.855 -8.278 1.00 0.00 C ATOM 1185 O GLY A 78 -1.213 -16.860 -7.821 1.00 0.00 O ATOM 0 H GLY A 78 0.764 -14.189 -10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.501 -16.028 -10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.702 -16.939 -9.520 1.00 0.00 H new ATOM 1189 N LYS A 79 -0.761 -14.668 -7.670 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.580 -14.410 -6.491 1.00 0.00 C ATOM 1191 C LYS A 79 -2.603 -13.358 -6.882 1.00 0.00 C ATOM 1192 O LYS A 79 -2.225 -12.304 -7.398 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.716 -13.921 -5.312 1.00 0.00 C ATOM 1194 CG LYS A 79 0.488 -14.790 -4.910 1.00 0.00 C ATOM 1195 CD LYS A 79 0.143 -16.272 -4.744 1.00 0.00 C ATOM 1196 CE LYS A 79 1.336 -17.080 -4.240 1.00 0.00 C ATOM 1197 NZ LYS A 79 1.078 -18.528 -4.313 1.00 0.00 N ATOM 0 H LYS A 79 -0.253 -13.845 -7.994 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.072 -15.325 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.346 -12.925 -5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.363 -13.817 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.267 -14.689 -5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.901 -14.414 -3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.687 -16.376 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.192 -16.676 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.218 -16.836 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.557 -16.800 -3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.909 -19.047 -3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.251 -18.763 -3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.892 -18.798 -5.300 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.887 -13.638 -6.681 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.948 -12.649 -6.781 1.00 0.00 C ATOM 1213 C ALA A 80 -4.743 -11.642 -5.648 1.00 0.00 C ATOM 1214 O ALA A 80 -4.876 -12.017 -4.482 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.306 -13.352 -6.660 1.00 0.00 C ATOM 0 H ALA A 80 -4.221 -14.571 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.925 -12.131 -7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.105 -12.615 -6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.410 -14.082 -7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.369 -13.859 -5.697 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.392 -10.396 -5.967 1.00 0.00 N ATOM 1222 CA ILE A 81 -4.134 -9.348 -4.978 1.00 0.00 C ATOM 1223 C ILE A 81 -5.276 -8.330 -4.975 1.00 0.00 C ATOM 1224 O ILE A 81 -6.074 -8.268 -5.914 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.768 -8.667 -5.235 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -2.627 -8.206 -6.700 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.619 -9.635 -4.903 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -1.629 -7.074 -6.878 1.00 0.00 C ATOM 0 H ILE A 81 -4.277 -10.082 -6.931 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.087 -9.806 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.718 -7.791 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.319 -9.053 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.601 -7.884 -7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.664 -9.143 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.680 -9.926 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.698 -10.522 -5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.577 -6.797 -7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.948 -6.212 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.645 -7.400 -6.540 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.344 -7.499 -3.938 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.231 -6.338 -3.877 1.00 0.00 C ATOM 1242 C LYS A 82 -5.392 -5.113 -3.527 1.00 0.00 C ATOM 1243 O LYS A 82 -4.334 -5.261 -2.909 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.352 -6.582 -2.853 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.355 -7.670 -3.282 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.302 -7.999 -2.120 1.00 0.00 C ATOM 1247 CE LYS A 82 -10.411 -9.003 -2.464 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.395 -8.488 -3.442 1.00 0.00 N ATOM 0 H LYS A 82 -4.774 -7.615 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.713 -6.169 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.906 -6.867 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.890 -5.649 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.928 -7.328 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.820 -8.568 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.715 -8.396 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.762 -7.075 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.957 -9.911 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.933 -9.282 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.114 -9.216 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.855 -7.638 -3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.909 -8.247 -4.329 1.00 0.00 H new ATOM 1262 N VAL A 83 -5.874 -3.921 -3.875 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.282 -2.641 -3.515 1.00 0.00 C ATOM 1264 C VAL A 83 -6.448 -1.725 -3.187 1.00 0.00 C ATOM 1265 O VAL A 83 -7.227 -1.380 -4.068 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.408 -2.057 -4.641 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -3.742 -0.764 -4.148 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.271 -2.999 -5.049 1.00 0.00 C ATOM 0 H VAL A 83 -6.720 -3.820 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.607 -2.755 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.068 -1.892 -5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.123 -0.348 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.510 -0.042 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.120 -0.983 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.686 -2.539 -5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.628 -3.187 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.689 -3.941 -5.403 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.594 -1.361 -1.926 1.00 0.00 N ATOM 1279 CA GLU A 84 -7.739 -0.635 -1.425 1.00 0.00 C ATOM 1280 C GLU A 84 -7.260 0.556 -0.610 1.00 0.00 C ATOM 1281 O GLU A 84 -6.058 0.806 -0.472 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.627 -1.599 -0.624 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.149 -2.760 -1.495 1.00 0.00 C ATOM 1284 CD GLU A 84 -10.394 -3.433 -0.915 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -11.311 -2.712 -0.461 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -10.459 -4.687 -0.923 1.00 0.00 O ATOM 0 H GLU A 84 -5.901 -1.569 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.345 -0.238 -2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.060 -2.002 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.471 -1.051 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.378 -2.384 -2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.361 -3.504 -1.608 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.212 1.299 -0.060 1.00 0.00 N ATOM 1294 CA GLN A 85 -7.926 2.442 0.781 1.00 0.00 C ATOM 1295 C GLN A 85 -8.387 2.092 2.182 1.00 0.00 C ATOM 1296 O GLN A 85 -9.571 1.827 2.407 1.00 0.00 O ATOM 1297 CB GLN A 85 -8.619 3.691 0.245 1.00 0.00 C ATOM 1298 CG GLN A 85 -8.084 4.110 -1.126 1.00 0.00 C ATOM 1299 CD GLN A 85 -8.735 5.423 -1.525 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -9.846 5.437 -2.046 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -8.086 6.540 -1.244 1.00 0.00 N ATOM 0 H GLN A 85 -9.208 1.120 -0.189 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.860 2.667 0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.691 3.506 0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.483 4.510 0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.000 4.222 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.301 3.341 -1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.164 6.499 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.508 7.443 -1.460 1.00 0.00 H new ATOM 1310 N ALA A 86 -7.441 2.088 3.122 1.00 0.00 N ATOM 1311 CA ALA A 86 -7.702 2.031 4.554 1.00 0.00 C ATOM 1312 C ALA A 86 -8.236 3.386 5.050 1.00 0.00 C ATOM 1313 O ALA A 86 -7.689 3.987 5.977 1.00 0.00 O ATOM 1314 CB ALA A 86 -6.422 1.585 5.271 1.00 0.00 C ATOM 0 H ALA A 86 -6.447 2.125 2.898 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.478 1.299 4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.604 1.538 6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.127 0.600 4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.624 2.300 5.069 1.00 0.00 H new ATOM 1320 N THR A 87 -9.281 3.889 4.400 1.00 0.00 N ATOM 1321 CA THR A 87 -10.109 4.980 4.877 1.00 0.00 C ATOM 1322 C THR A 87 -10.968 4.443 6.035 1.00 0.00 C ATOM 1323 O THR A 87 -10.993 3.236 6.316 1.00 0.00 O ATOM 1324 CB THR A 87 -10.969 5.510 3.707 1.00 0.00 C ATOM 1325 OG1 THR A 87 -10.320 5.338 2.459 1.00 0.00 O ATOM 1326 CG2 THR A 87 -11.291 7.002 3.837 1.00 0.00 C ATOM 0 H THR A 87 -9.581 3.531 3.493 1.00 0.00 H new ATOM 0 HA THR A 87 -9.511 5.814 5.243 1.00 0.00 H new ATOM 0 HB THR A 87 -11.889 4.927 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.893 5.682 1.742 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.897 7.319 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.842 7.176 4.761 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.363 7.574 3.854 1.00 0.00 H new