USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 768 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 92 HIS : no HE2:sc= 0.165 K(o=-0.25,f=-1.8) USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -0.411 F(o=-0.84,f=-0.25) USER MOD Set 2.1: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.464 K(o=-0.46,f=-5.8!) USER MOD Set 3.1: A 66 GLN : amide:sc= -2.88 K(o=-3.8,f=-7!) USER MOD Set 3.2: A 79 SER OG : rot 180:sc= -0.921 USER MOD Single : A 15 SER OG : rot 69:sc= 1.28 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.27) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.746 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.891 K(o=-0.89,f=-2.5!) USER MOD Single : A 60 CYS SG : rot -0:sc= 0.257 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 110:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.61) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00215 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -130:sc= -0.949 (180deg=-1.71) USER MOD Single : A 112 TYR OH : rot -96:sc= 0.00859 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -179:sc= -1.09 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 0.487 22.900 3.797 1.00 0.00 N ATOM 109 CA TRP A 11 0.076 21.562 3.387 1.00 0.00 C ATOM 110 C TRP A 11 0.695 20.502 4.291 1.00 0.00 C ATOM 111 O TRP A 11 1.916 20.424 4.428 1.00 0.00 O ATOM 112 CB TRP A 11 0.477 21.307 1.933 1.00 0.00 C ATOM 113 CG TRP A 11 -0.372 20.274 1.255 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.209 19.378 1.857 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.466 20.031 -0.152 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.817 18.592 0.908 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.379 18.973 -0.333 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.130 20.605 -1.278 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.706 18.480 -1.593 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.195 20.114 -2.528 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.107 19.060 -2.677 1.00 0.00 C ATOM 0 HA TRP A 11 -1.009 21.499 3.474 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.413 22.242 1.377 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.519 20.988 1.901 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.369 19.299 2.922 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.486 17.846 1.097 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.833 21.418 -1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.408 17.668 -1.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.261 20.550 -3.405 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.341 18.699 -3.667 1.00 0.00 H new ATOM 132 N VAL A 12 -0.156 19.687 4.908 1.00 0.00 N ATOM 133 CA VAL A 12 0.308 18.630 5.799 1.00 0.00 C ATOM 134 C VAL A 12 0.872 17.454 5.009 1.00 0.00 C ATOM 135 O VAL A 12 1.817 16.795 5.445 1.00 0.00 O ATOM 136 CB VAL A 12 -0.827 18.125 6.710 1.00 0.00 C ATOM 137 CG1 VAL A 12 -0.392 16.878 7.463 1.00 0.00 C ATOM 138 CG2 VAL A 12 -1.260 19.218 7.675 1.00 0.00 C ATOM 0 H VAL A 12 -1.170 19.739 4.807 1.00 0.00 H new ATOM 0 HA VAL A 12 1.096 19.060 6.417 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.682 17.863 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.207 16.536 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.135 16.094 6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.478 17.109 8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.062 18.845 8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.413 19.513 8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.615 20.081 7.112 1.00 0.00 H new ATOM 148 N LEU A 13 0.287 17.196 3.845 1.00 0.00 N ATOM 149 CA LEU A 13 0.732 16.098 2.992 1.00 0.00 C ATOM 150 C LEU A 13 2.254 16.046 2.922 1.00 0.00 C ATOM 151 O LEU A 13 2.884 15.056 3.297 1.00 0.00 O ATOM 152 CB LEU A 13 0.150 16.252 1.586 1.00 0.00 C ATOM 153 CG LEU A 13 1.030 15.754 0.438 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.288 14.262 0.571 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.383 16.068 -0.904 1.00 0.00 C ATOM 0 H LEU A 13 -0.496 17.731 3.470 1.00 0.00 H new ATOM 0 HA LEU A 13 0.375 15.164 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.800 15.719 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.069 17.306 1.418 1.00 0.00 H new ATOM 0 HG LEU A 13 1.987 16.273 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.916 13.926 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.794 14.063 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.340 13.725 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.022 15.707 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.588 15.577 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.251 17.146 -1.001 1.00 0.00 H new ATOM 167 N PRO A 14 2.863 17.136 2.433 1.00 0.00 N ATOM 168 CA PRO A 14 4.319 17.240 2.305 1.00 0.00 C ATOM 169 C PRO A 14 5.015 17.339 3.658 1.00 0.00 C ATOM 170 O PRO A 14 6.149 16.888 3.819 1.00 0.00 O ATOM 171 CB PRO A 14 4.515 18.531 1.507 1.00 0.00 C ATOM 172 CG PRO A 14 3.296 19.340 1.791 1.00 0.00 C ATOM 173 CD PRO A 14 2.176 18.352 1.967 1.00 0.00 C ATOM 0 HA PRO A 14 4.749 16.359 1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.419 19.055 1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.615 18.326 0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.429 19.944 2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.085 20.028 0.972 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.442 18.702 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.642 18.179 1.032 1.00 0.00 H new ATOM 181 N SER A 15 4.328 17.933 4.629 1.00 0.00 N ATOM 182 CA SER A 15 4.881 18.094 5.968 1.00 0.00 C ATOM 183 C SER A 15 5.188 16.739 6.597 1.00 0.00 C ATOM 184 O SER A 15 6.197 16.575 7.282 1.00 0.00 O ATOM 185 CB SER A 15 3.906 18.871 6.856 1.00 0.00 C ATOM 186 OG SER A 15 3.710 20.187 6.368 1.00 0.00 O ATOM 0 H SER A 15 3.388 18.311 4.513 1.00 0.00 H new ATOM 0 HA SER A 15 5.812 18.655 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.950 18.348 6.896 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.290 18.911 7.875 1.00 0.00 H new ATOM 0 HG SER A 15 3.215 20.152 5.523 1.00 0.00 H new ATOM 192 N GLU A 16 4.310 15.770 6.357 1.00 0.00 N ATOM 193 CA GLU A 16 4.486 14.428 6.900 1.00 0.00 C ATOM 194 C GLU A 16 5.540 13.656 6.111 1.00 0.00 C ATOM 195 O GLU A 16 6.470 13.089 6.685 1.00 0.00 O ATOM 196 CB GLU A 16 3.159 13.667 6.880 1.00 0.00 C ATOM 197 CG GLU A 16 3.291 12.203 7.266 1.00 0.00 C ATOM 198 CD GLU A 16 4.025 12.009 8.579 1.00 0.00 C ATOM 199 OE1 GLU A 16 3.936 12.903 9.446 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.688 10.963 8.738 1.00 0.00 O ATOM 0 H GLU A 16 3.470 15.889 5.790 1.00 0.00 H new ATOM 0 HA GLU A 16 4.826 14.523 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.461 14.152 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.727 13.733 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.298 11.760 7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.820 11.669 6.476 1.00 0.00 H new ATOM 207 N VAL A 17 5.386 13.638 4.791 1.00 0.00 N ATOM 208 CA VAL A 17 6.324 12.937 3.921 1.00 0.00 C ATOM 209 C VAL A 17 7.761 13.131 4.392 1.00 0.00 C ATOM 210 O VAL A 17 8.552 12.189 4.406 1.00 0.00 O ATOM 211 CB VAL A 17 6.203 13.417 2.463 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.325 12.836 1.615 1.00 0.00 C ATOM 213 CG2 VAL A 17 4.844 13.045 1.891 1.00 0.00 C ATOM 0 H VAL A 17 4.621 14.101 4.300 1.00 0.00 H new ATOM 0 HA VAL A 17 6.070 11.878 3.969 1.00 0.00 H new ATOM 0 HB VAL A 17 6.293 14.503 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.223 13.186 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.287 13.158 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.270 11.748 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.776 13.392 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.722 11.962 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.059 13.514 2.484 1.00 0.00 H new ATOM 223 N GLU A 18 8.090 14.360 4.778 1.00 0.00 N ATOM 224 CA GLU A 18 9.433 14.678 5.249 1.00 0.00 C ATOM 225 C GLU A 18 9.899 13.662 6.288 1.00 0.00 C ATOM 226 O GLU A 18 11.045 13.211 6.262 1.00 0.00 O ATOM 227 CB GLU A 18 9.468 16.087 5.845 1.00 0.00 C ATOM 228 CG GLU A 18 9.612 17.184 4.805 1.00 0.00 C ATOM 229 CD GLU A 18 11.019 17.281 4.249 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.513 16.270 3.706 1.00 0.00 O ATOM 231 OE2 GLU A 18 11.626 18.367 4.356 1.00 0.00 O ATOM 0 H GLU A 18 7.446 15.151 4.774 1.00 0.00 H new ATOM 0 HA GLU A 18 10.110 14.636 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.553 16.255 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.298 16.154 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.915 16.998 3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.335 18.140 5.250 1.00 0.00 H new ATOM 238 N VAL A 19 9.003 13.306 7.203 1.00 0.00 N ATOM 239 CA VAL A 19 9.321 12.344 8.251 1.00 0.00 C ATOM 240 C VAL A 19 9.397 10.928 7.692 1.00 0.00 C ATOM 241 O VAL A 19 10.251 10.135 8.092 1.00 0.00 O ATOM 242 CB VAL A 19 8.279 12.383 9.384 1.00 0.00 C ATOM 243 CG1 VAL A 19 8.595 11.332 10.438 1.00 0.00 C ATOM 244 CG2 VAL A 19 8.218 13.770 10.005 1.00 0.00 C ATOM 0 H VAL A 19 8.051 13.670 7.239 1.00 0.00 H new ATOM 0 HA VAL A 19 10.294 12.625 8.654 1.00 0.00 H new ATOM 0 HB VAL A 19 7.301 12.156 8.961 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.848 11.375 11.230 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.582 10.343 9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.582 11.524 10.859 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.476 13.779 10.804 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.195 14.029 10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.939 14.498 9.243 1.00 0.00 H new ATOM 254 N LEU A 20 8.498 10.615 6.766 1.00 0.00 N ATOM 255 CA LEU A 20 8.462 9.293 6.150 1.00 0.00 C ATOM 256 C LEU A 20 9.789 8.973 5.470 1.00 0.00 C ATOM 257 O LEU A 20 10.489 8.041 5.864 1.00 0.00 O ATOM 258 CB LEU A 20 7.322 9.214 5.132 1.00 0.00 C ATOM 259 CG LEU A 20 5.907 9.194 5.710 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.902 9.678 4.676 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.547 7.796 6.193 1.00 0.00 C ATOM 0 H LEU A 20 7.784 11.259 6.425 1.00 0.00 H new ATOM 0 HA LEU A 20 8.291 8.557 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.405 10.065 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.460 8.315 4.531 1.00 0.00 H new ATOM 0 HG LEU A 20 5.874 9.871 6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.900 9.657 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.148 10.697 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.936 9.027 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.536 7.801 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.597 7.098 5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.249 7.486 6.967 1.00 0.00 H new ATOM 273 N GLU A 21 10.129 9.753 4.449 1.00 0.00 N ATOM 274 CA GLU A 21 11.373 9.552 3.716 1.00 0.00 C ATOM 275 C GLU A 21 12.503 9.155 4.661 1.00 0.00 C ATOM 276 O GLU A 21 13.235 8.199 4.404 1.00 0.00 O ATOM 277 CB GLU A 21 11.753 10.823 2.954 1.00 0.00 C ATOM 278 CG GLU A 21 10.723 11.244 1.920 1.00 0.00 C ATOM 279 CD GLU A 21 11.277 12.233 0.913 1.00 0.00 C ATOM 280 OE1 GLU A 21 12.215 11.864 0.174 1.00 0.00 O ATOM 281 OE2 GLU A 21 10.775 13.375 0.862 1.00 0.00 O ATOM 0 H GLU A 21 9.561 10.530 4.111 1.00 0.00 H new ATOM 0 HA GLU A 21 11.218 8.742 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.893 11.636 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.711 10.666 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.360 10.361 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.866 11.688 2.426 1.00 0.00 H new ATOM 288 N SER A 22 12.640 9.897 5.755 1.00 0.00 N ATOM 289 CA SER A 22 13.683 9.627 6.737 1.00 0.00 C ATOM 290 C SER A 22 13.723 8.143 7.092 1.00 0.00 C ATOM 291 O SER A 22 14.796 7.547 7.190 1.00 0.00 O ATOM 292 CB SER A 22 13.452 10.459 8.000 1.00 0.00 C ATOM 293 OG SER A 22 14.346 10.078 9.032 1.00 0.00 O ATOM 0 H SER A 22 12.041 10.690 5.984 1.00 0.00 H new ATOM 0 HA SER A 22 14.642 9.904 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.584 11.517 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.424 10.332 8.340 1.00 0.00 H new ATOM 0 HG SER A 22 14.179 10.625 9.828 1.00 0.00 H new ATOM 299 N ILE A 23 12.547 7.555 7.284 1.00 0.00 N ATOM 300 CA ILE A 23 12.448 6.142 7.626 1.00 0.00 C ATOM 301 C ILE A 23 12.405 5.274 6.373 1.00 0.00 C ATOM 302 O ILE A 23 13.230 4.377 6.198 1.00 0.00 O ATOM 303 CB ILE A 23 11.197 5.856 8.478 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.233 6.678 9.768 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.097 4.371 8.792 1.00 0.00 C ATOM 306 CD1 ILE A 23 9.872 6.873 10.399 1.00 0.00 C ATOM 0 H ILE A 23 11.650 8.035 7.209 1.00 0.00 H new ATOM 0 HA ILE A 23 13.337 5.895 8.206 1.00 0.00 H new ATOM 0 HB ILE A 23 10.314 6.147 7.909 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.890 6.185 10.485 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.669 7.654 9.555 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.208 4.186 9.395 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.029 3.806 7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.982 4.056 9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.974 7.464 11.309 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.218 7.394 9.700 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.442 5.902 10.644 1.00 0.00 H new ATOM 318 N TYR A 24 11.439 5.548 5.503 1.00 0.00 N ATOM 319 CA TYR A 24 11.288 4.792 4.266 1.00 0.00 C ATOM 320 C TYR A 24 12.068 5.445 3.130 1.00 0.00 C ATOM 321 O TYR A 24 11.568 5.576 2.011 1.00 0.00 O ATOM 322 CB TYR A 24 9.810 4.683 3.888 1.00 0.00 C ATOM 323 CG TYR A 24 8.920 4.263 5.036 1.00 0.00 C ATOM 324 CD1 TYR A 24 9.191 3.112 5.765 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.810 5.018 5.392 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.380 2.724 6.815 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.994 4.639 6.441 1.00 0.00 C ATOM 328 CZ TYR A 24 7.283 3.491 7.149 1.00 0.00 C ATOM 329 OH TYR A 24 6.474 3.109 8.194 1.00 0.00 O ATOM 0 H TYR A 24 10.749 6.288 5.632 1.00 0.00 H new ATOM 0 HA TYR A 24 11.689 3.792 4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.469 5.646 3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.704 3.964 3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.050 2.510 5.507 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.580 5.917 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.604 1.825 7.371 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.135 5.238 6.705 1.00 0.00 H new ATOM 0 HH TYR A 24 5.747 3.758 8.299 1.00 0.00 H new ATOM 339 N LEU A 25 13.298 5.854 3.423 1.00 0.00 N ATOM 340 CA LEU A 25 14.150 6.493 2.427 1.00 0.00 C ATOM 341 C LEU A 25 13.933 5.878 1.049 1.00 0.00 C ATOM 342 O LEU A 25 13.498 6.555 0.117 1.00 0.00 O ATOM 343 CB LEU A 25 15.621 6.367 2.829 1.00 0.00 C ATOM 344 CG LEU A 25 16.132 7.395 3.839 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.449 6.938 4.446 1.00 0.00 C ATOM 346 CD2 LEU A 25 16.290 8.757 3.180 1.00 0.00 C ATOM 0 H LEU A 25 13.727 5.754 4.343 1.00 0.00 H new ATOM 0 HA LEU A 25 13.882 7.548 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.780 5.371 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.230 6.439 1.928 1.00 0.00 H new ATOM 0 HG LEU A 25 15.398 7.485 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.797 7.682 5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.304 5.985 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.191 6.819 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.654 9.476 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.003 8.683 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.326 9.089 2.795 1.00 0.00 H new ATOM 358 N ASP A 26 14.236 4.590 0.927 1.00 0.00 N ATOM 359 CA ASP A 26 14.071 3.882 -0.337 1.00 0.00 C ATOM 360 C ASP A 26 12.826 3.001 -0.308 1.00 0.00 C ATOM 361 O ASP A 26 12.045 2.984 -1.258 1.00 0.00 O ATOM 362 CB ASP A 26 15.306 3.030 -0.634 1.00 0.00 C ATOM 363 CG ASP A 26 15.281 2.441 -2.031 1.00 0.00 C ATOM 364 OD1 ASP A 26 14.356 1.656 -2.327 1.00 0.00 O ATOM 365 OD2 ASP A 26 16.186 2.765 -2.828 1.00 0.00 O ATOM 0 H ASP A 26 14.597 4.015 1.688 1.00 0.00 H new ATOM 0 HA ASP A 26 13.952 4.623 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.202 3.640 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.371 2.223 0.096 1.00 0.00 H new ATOM 370 N GLU A 27 12.649 2.272 0.789 1.00 0.00 N ATOM 371 CA GLU A 27 11.499 1.387 0.940 1.00 0.00 C ATOM 372 C GLU A 27 10.264 1.982 0.271 1.00 0.00 C ATOM 373 O GLU A 27 9.592 1.318 -0.521 1.00 0.00 O ATOM 374 CB GLU A 27 11.216 1.132 2.422 1.00 0.00 C ATOM 375 CG GLU A 27 12.379 0.494 3.163 1.00 0.00 C ATOM 376 CD GLU A 27 12.445 -1.008 2.963 1.00 0.00 C ATOM 377 OE1 GLU A 27 11.903 -1.495 1.949 1.00 0.00 O ATOM 378 OE2 GLU A 27 13.039 -1.695 3.820 1.00 0.00 O ATOM 0 H GLU A 27 13.286 2.276 1.586 1.00 0.00 H new ATOM 0 HA GLU A 27 11.734 0.440 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.964 2.077 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.342 0.487 2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.312 0.943 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.290 0.711 4.227 1.00 0.00 H new ATOM 385 N LEU A 28 9.969 3.236 0.593 1.00 0.00 N ATOM 386 CA LEU A 28 8.814 3.922 0.024 1.00 0.00 C ATOM 387 C LEU A 28 9.252 5.002 -0.960 1.00 0.00 C ATOM 388 O LEU A 28 10.288 5.639 -0.775 1.00 0.00 O ATOM 389 CB LEU A 28 7.966 4.542 1.135 1.00 0.00 C ATOM 390 CG LEU A 28 6.895 5.538 0.686 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.735 5.553 1.669 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.490 6.930 0.538 1.00 0.00 C ATOM 0 H LEU A 28 10.514 3.799 1.246 1.00 0.00 H new ATOM 0 HA LEU A 28 8.215 3.187 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.478 3.737 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.632 5.046 1.835 1.00 0.00 H new ATOM 0 HG LEU A 28 6.516 5.222 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.983 6.267 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.292 4.559 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.097 5.844 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.714 7.625 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.897 7.256 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.287 6.908 -0.206 1.00 0.00 H new ATOM 404 N GLN A 29 8.455 5.202 -2.005 1.00 0.00 N ATOM 405 CA GLN A 29 8.761 6.206 -3.017 1.00 0.00 C ATOM 406 C GLN A 29 7.785 7.375 -2.936 1.00 0.00 C ATOM 407 O GLN A 29 6.659 7.226 -2.463 1.00 0.00 O ATOM 408 CB GLN A 29 8.714 5.584 -4.414 1.00 0.00 C ATOM 409 CG GLN A 29 9.952 4.771 -4.759 1.00 0.00 C ATOM 410 CD GLN A 29 11.224 5.596 -4.709 1.00 0.00 C ATOM 411 OE1 GLN A 29 11.442 6.473 -5.545 1.00 0.00 O ATOM 412 NE2 GLN A 29 12.071 5.317 -3.726 1.00 0.00 N ATOM 0 H GLN A 29 7.593 4.682 -2.173 1.00 0.00 H new ATOM 0 HA GLN A 29 9.767 6.581 -2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.836 4.943 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.593 6.377 -5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.038 3.935 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.837 4.347 -5.757 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.849 4.581 -3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.944 5.838 -3.641 1.00 0.00 H new ATOM 421 N VAL A 30 8.226 8.541 -3.400 1.00 0.00 N ATOM 422 CA VAL A 30 7.391 9.736 -3.381 1.00 0.00 C ATOM 423 C VAL A 30 7.452 10.471 -4.715 1.00 0.00 C ATOM 424 O VAL A 30 8.498 10.513 -5.365 1.00 0.00 O ATOM 425 CB VAL A 30 7.816 10.699 -2.257 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.910 11.921 -2.229 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.806 9.987 -0.913 1.00 0.00 C ATOM 0 H VAL A 30 9.156 8.683 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 30 6.369 9.405 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 30 8.833 11.035 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.226 12.590 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.973 12.443 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.881 11.607 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.109 10.683 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.801 9.620 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.501 9.147 -0.941 1.00 0.00 H new ATOM 437 N ILE A 31 6.326 11.049 -5.118 1.00 0.00 N ATOM 438 CA ILE A 31 6.252 11.784 -6.375 1.00 0.00 C ATOM 439 C ILE A 31 5.536 13.117 -6.191 1.00 0.00 C ATOM 440 O ILE A 31 4.312 13.197 -6.297 1.00 0.00 O ATOM 441 CB ILE A 31 5.526 10.969 -7.462 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.146 9.576 -7.586 1.00 0.00 C ATOM 443 CG2 ILE A 31 5.579 11.700 -8.795 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.576 9.593 -8.081 1.00 0.00 C ATOM 0 H ILE A 31 5.452 11.023 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 31 7.278 11.967 -6.694 1.00 0.00 H new ATOM 0 HB ILE A 31 4.481 10.855 -7.173 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.112 9.084 -6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.541 8.977 -8.267 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.062 11.112 -9.553 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.095 12.672 -8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.618 11.841 -9.092 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.951 8.572 -8.144 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.614 10.056 -9.067 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.194 10.164 -7.388 1.00 0.00 H new ATOM 569 N TRP A 40 0.064 14.082 -5.452 1.00 0.00 N ATOM 570 CA TRP A 40 1.298 13.350 -5.190 1.00 0.00 C ATOM 571 C TRP A 40 1.073 11.846 -5.301 1.00 0.00 C ATOM 572 O TRP A 40 -0.060 11.372 -5.220 1.00 0.00 O ATOM 573 CB TRP A 40 1.834 13.696 -3.800 1.00 0.00 C ATOM 574 CG TRP A 40 2.294 15.117 -3.677 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.750 16.210 -4.290 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.392 15.598 -2.895 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.445 17.341 -3.936 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.456 16.993 -3.080 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.326 14.987 -2.054 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.418 17.783 -2.457 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.281 15.773 -1.437 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.321 17.158 -1.639 1.00 0.00 C ATOM 0 HA TRP A 40 2.032 13.645 -5.940 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.055 13.509 -3.061 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.665 13.031 -3.563 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.899 16.188 -4.955 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.241 18.287 -4.259 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.302 13.920 -1.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.451 18.851 -2.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.009 15.311 -0.787 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.078 17.744 -1.140 1.00 0.00 H new ATOM 593 N GLU A 41 2.158 11.102 -5.488 1.00 0.00 N ATOM 594 CA GLU A 41 2.077 9.651 -5.611 1.00 0.00 C ATOM 595 C GLU A 41 3.091 8.970 -4.697 1.00 0.00 C ATOM 596 O GLU A 41 4.227 9.426 -4.564 1.00 0.00 O ATOM 597 CB GLU A 41 2.315 9.226 -7.062 1.00 0.00 C ATOM 598 CG GLU A 41 1.595 7.945 -7.447 1.00 0.00 C ATOM 599 CD GLU A 41 0.193 8.198 -7.966 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.049 9.293 -8.514 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.662 7.299 -7.824 1.00 0.00 O ATOM 0 H GLU A 41 3.103 11.479 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 41 1.076 9.342 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.990 10.028 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.385 9.094 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.172 7.423 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.544 7.286 -6.580 1.00 0.00 H new ATOM 608 N ILE A 42 2.672 7.876 -4.069 1.00 0.00 N ATOM 609 CA ILE A 42 3.543 7.132 -3.168 1.00 0.00 C ATOM 610 C ILE A 42 3.368 5.628 -3.352 1.00 0.00 C ATOM 611 O ILE A 42 2.255 5.108 -3.273 1.00 0.00 O ATOM 612 CB ILE A 42 3.270 7.493 -1.695 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.489 8.990 -1.465 1.00 0.00 C ATOM 614 CG2 ILE A 42 4.163 6.674 -0.775 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.625 9.565 -0.365 1.00 0.00 C ATOM 0 H ILE A 42 1.735 7.486 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 42 4.567 7.410 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 42 2.231 7.257 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.537 9.162 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.286 9.525 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.959 6.940 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.963 5.613 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.208 6.881 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.833 10.629 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.574 9.425 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.844 9.056 0.574 1.00 0.00 H new ATOM 627 N TYR A 43 4.475 4.935 -3.595 1.00 0.00 N ATOM 628 CA TYR A 43 4.444 3.491 -3.790 1.00 0.00 C ATOM 629 C TYR A 43 5.162 2.772 -2.652 1.00 0.00 C ATOM 630 O TYR A 43 5.995 3.358 -1.960 1.00 0.00 O ATOM 631 CB TYR A 43 5.089 3.122 -5.127 1.00 0.00 C ATOM 632 CG TYR A 43 4.824 4.128 -6.225 1.00 0.00 C ATOM 633 CD1 TYR A 43 5.520 5.329 -6.277 1.00 0.00 C ATOM 634 CD2 TYR A 43 3.877 3.876 -7.211 1.00 0.00 C ATOM 635 CE1 TYR A 43 5.280 6.251 -7.277 1.00 0.00 C ATOM 636 CE2 TYR A 43 3.632 4.792 -8.216 1.00 0.00 C ATOM 637 CZ TYR A 43 4.335 5.978 -8.244 1.00 0.00 C ATOM 638 OH TYR A 43 4.095 6.893 -9.243 1.00 0.00 O ATOM 0 H TYR A 43 5.404 5.350 -3.662 1.00 0.00 H new ATOM 0 HA TYR A 43 3.401 3.173 -3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.166 3.025 -4.987 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.719 2.146 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.262 5.546 -5.522 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.324 2.949 -7.191 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.829 7.181 -7.302 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.894 4.580 -8.975 1.00 0.00 H new ATOM 0 HH TYR A 43 3.402 6.548 -9.843 1.00 0.00 H new ATOM 648 N ILE A 44 4.833 1.498 -2.465 1.00 0.00 N ATOM 649 CA ILE A 44 5.446 0.698 -1.413 1.00 0.00 C ATOM 650 C ILE A 44 5.096 -0.778 -1.569 1.00 0.00 C ATOM 651 O ILE A 44 3.946 -1.130 -1.836 1.00 0.00 O ATOM 652 CB ILE A 44 5.006 1.172 -0.015 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.706 0.351 1.070 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.495 1.071 0.127 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.823 1.075 2.393 1.00 0.00 C ATOM 0 H ILE A 44 4.145 0.998 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 44 6.524 0.826 -1.509 1.00 0.00 H new ATOM 0 HB ILE A 44 5.293 2.217 0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.158 -0.579 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.703 0.081 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.199 1.409 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.016 1.696 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.185 0.035 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.329 0.434 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.397 1.992 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.827 1.322 2.762 1.00 0.00 H new ATOM 667 N THR A 45 6.094 -1.639 -1.400 1.00 0.00 N ATOM 668 CA THR A 45 5.892 -3.078 -1.521 1.00 0.00 C ATOM 669 C THR A 45 5.467 -3.688 -0.191 1.00 0.00 C ATOM 670 O THR A 45 6.103 -3.462 0.839 1.00 0.00 O ATOM 671 CB THR A 45 7.169 -3.785 -2.012 1.00 0.00 C ATOM 672 OG1 THR A 45 7.586 -3.230 -3.265 1.00 0.00 O ATOM 673 CG2 THR A 45 6.935 -5.280 -2.167 1.00 0.00 C ATOM 0 H THR A 45 7.051 -1.365 -1.179 1.00 0.00 H new ATOM 0 HA THR A 45 5.099 -3.225 -2.254 1.00 0.00 H new ATOM 0 HB THR A 45 7.951 -3.631 -1.269 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.400 -3.684 -3.569 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.851 -5.758 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.647 -5.705 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.139 -5.450 -2.892 1.00 0.00 H new ATOM 681 N LEU A 46 4.387 -4.462 -0.219 1.00 0.00 N ATOM 682 CA LEU A 46 3.877 -5.106 0.987 1.00 0.00 C ATOM 683 C LEU A 46 3.853 -6.623 0.825 1.00 0.00 C ATOM 684 O LEU A 46 3.890 -7.139 -0.292 1.00 0.00 O ATOM 685 CB LEU A 46 2.471 -4.594 1.306 1.00 0.00 C ATOM 686 CG LEU A 46 2.392 -3.406 2.266 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.042 -2.177 1.649 1.00 0.00 C ATOM 688 CD2 LEU A 46 0.945 -3.117 2.638 1.00 0.00 C ATOM 0 H LEU A 46 3.848 -4.659 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 46 4.544 -4.857 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.987 -4.313 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.894 -5.416 1.729 1.00 0.00 H new ATOM 0 HG LEU A 46 2.936 -3.661 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.976 -1.342 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.089 -2.389 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.527 -1.919 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.908 -2.269 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.378 -2.883 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.512 -3.992 3.122 1.00 0.00 H new ATOM 700 N HIS A 47 3.789 -7.331 1.948 1.00 0.00 N ATOM 701 CA HIS A 47 3.757 -8.790 1.931 1.00 0.00 C ATOM 702 C HIS A 47 3.402 -9.341 3.308 1.00 0.00 C ATOM 703 O HIS A 47 3.714 -8.748 4.341 1.00 0.00 O ATOM 704 CB HIS A 47 5.108 -9.345 1.479 1.00 0.00 C ATOM 705 CG HIS A 47 6.233 -9.015 2.411 1.00 0.00 C ATOM 706 ND1 HIS A 47 6.325 -9.524 3.689 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.318 -8.224 2.243 1.00 0.00 C ATOM 708 CE1 HIS A 47 7.417 -9.059 4.268 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.038 -8.268 3.411 1.00 0.00 N ATOM 0 H HIS A 47 3.758 -6.919 2.881 1.00 0.00 H new ATOM 0 HA HIS A 47 2.989 -9.104 1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.033 -10.428 1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.340 -8.952 0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.570 -7.663 1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.746 -9.287 5.271 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.911 -7.771 3.588 1.00 0.00 H new ATOM 871 N VAL A 59 3.622 -14.356 -2.891 1.00 0.00 N ATOM 872 CA VAL A 59 2.563 -13.354 -2.890 1.00 0.00 C ATOM 873 C VAL A 59 3.112 -11.974 -2.544 1.00 0.00 C ATOM 874 O VAL A 59 3.903 -11.826 -1.612 1.00 0.00 O ATOM 875 CB VAL A 59 1.448 -13.716 -1.891 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.031 -13.968 -0.509 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.398 -12.616 -1.843 1.00 0.00 C ATOM 0 HA VAL A 59 2.146 -13.334 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 59 0.965 -14.633 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.229 -14.222 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.742 -14.792 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.541 -13.070 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.382 -12.888 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.864 -11.682 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.041 -12.489 -2.832 1.00 0.00 H new ATOM 887 N CYS A 60 2.688 -10.968 -3.300 1.00 0.00 N ATOM 888 CA CYS A 60 3.137 -9.599 -3.074 1.00 0.00 C ATOM 889 C CYS A 60 2.384 -8.624 -3.973 1.00 0.00 C ATOM 890 O CYS A 60 1.894 -8.997 -5.039 1.00 0.00 O ATOM 891 CB CYS A 60 4.641 -9.486 -3.325 1.00 0.00 C ATOM 892 SG CYS A 60 5.455 -8.190 -2.362 1.00 0.00 S ATOM 0 H CYS A 60 2.034 -11.074 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 60 2.929 -9.341 -2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.110 -10.443 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.808 -9.295 -4.385 1.00 0.00 H new ATOM 0 HG CYS A 60 4.576 -7.581 -1.623 1.00 0.00 H new ATOM 898 N PHE A 61 2.293 -7.372 -3.535 1.00 0.00 N ATOM 899 CA PHE A 61 1.597 -6.343 -4.298 1.00 0.00 C ATOM 900 C PHE A 61 2.203 -4.968 -4.036 1.00 0.00 C ATOM 901 O PHE A 61 2.943 -4.776 -3.070 1.00 0.00 O ATOM 902 CB PHE A 61 0.109 -6.334 -3.943 1.00 0.00 C ATOM 903 CG PHE A 61 -0.216 -5.481 -2.749 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.258 -4.101 -2.858 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.481 -6.061 -1.519 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.556 -3.314 -1.761 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.781 -5.280 -0.419 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.819 -3.905 -0.540 1.00 0.00 C ATOM 0 H PHE A 61 2.693 -7.046 -2.655 1.00 0.00 H new ATOM 0 HA PHE A 61 1.709 -6.573 -5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.459 -5.976 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.217 -7.356 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.056 -3.634 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.453 -7.136 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.583 -2.239 -1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.986 -5.745 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.054 -3.293 0.318 1.00 0.00 H new ATOM 918 N THR A 62 1.885 -4.012 -4.904 1.00 0.00 N ATOM 919 CA THR A 62 2.399 -2.655 -4.769 1.00 0.00 C ATOM 920 C THR A 62 1.305 -1.696 -4.313 1.00 0.00 C ATOM 921 O THR A 62 0.322 -1.478 -5.023 1.00 0.00 O ATOM 922 CB THR A 62 2.994 -2.145 -6.095 1.00 0.00 C ATOM 923 OG1 THR A 62 4.070 -2.995 -6.508 1.00 0.00 O ATOM 924 CG2 THR A 62 3.496 -0.717 -5.949 1.00 0.00 C ATOM 0 H THR A 62 1.274 -4.153 -5.708 1.00 0.00 H new ATOM 0 HA THR A 62 3.186 -2.688 -4.016 1.00 0.00 H new ATOM 0 HB THR A 62 2.208 -2.161 -6.850 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.442 -2.665 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.912 -0.379 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.668 -0.068 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.268 -0.680 -5.181 1.00 0.00 H new ATOM 932 N LEU A 63 1.482 -1.125 -3.127 1.00 0.00 N ATOM 933 CA LEU A 63 0.509 -0.188 -2.577 1.00 0.00 C ATOM 934 C LEU A 63 0.738 1.218 -3.123 1.00 0.00 C ATOM 935 O LEU A 63 1.769 1.837 -2.861 1.00 0.00 O ATOM 936 CB LEU A 63 0.593 -0.173 -1.049 1.00 0.00 C ATOM 937 CG LEU A 63 -0.697 0.183 -0.310 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.636 -0.299 1.132 1.00 0.00 C ATOM 939 CD2 LEU A 63 -0.945 1.683 -0.362 1.00 0.00 C ATOM 0 H LEU A 63 2.290 -1.294 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.486 -0.518 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.921 -1.157 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.365 0.538 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.528 -0.320 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.563 -0.037 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.506 -1.381 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.204 0.175 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.867 1.918 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.112 2.206 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.033 2.001 -1.401 1.00 0.00 H new ATOM 951 N VAL A 64 -0.232 1.717 -3.883 1.00 0.00 N ATOM 952 CA VAL A 64 -0.138 3.051 -4.464 1.00 0.00 C ATOM 953 C VAL A 64 -1.067 4.027 -3.751 1.00 0.00 C ATOM 954 O VAL A 64 -2.272 3.796 -3.653 1.00 0.00 O ATOM 955 CB VAL A 64 -0.482 3.035 -5.965 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.404 4.439 -6.546 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.442 2.087 -6.713 1.00 0.00 C ATOM 0 H VAL A 64 -1.092 1.217 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 64 0.894 3.379 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.505 2.676 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.650 4.408 -7.607 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.111 5.087 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.606 4.830 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.185 2.088 -7.772 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.475 2.413 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.330 1.079 -6.314 1.00 0.00 H new ATOM 967 N LEU A 65 -0.498 5.121 -3.254 1.00 0.00 N ATOM 968 CA LEU A 65 -1.275 6.135 -2.550 1.00 0.00 C ATOM 969 C LEU A 65 -1.129 7.497 -3.221 1.00 0.00 C ATOM 970 O LEU A 65 -0.107 8.166 -3.071 1.00 0.00 O ATOM 971 CB LEU A 65 -0.830 6.223 -1.089 1.00 0.00 C ATOM 972 CG LEU A 65 -1.419 5.175 -0.144 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.643 5.139 1.163 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.892 5.458 0.116 1.00 0.00 C ATOM 0 H LEU A 65 0.498 5.328 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.325 5.844 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.257 6.144 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.089 7.212 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.336 4.198 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.076 4.388 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.398 4.888 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.694 6.116 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.294 4.702 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.999 6.443 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.439 5.432 -0.826 1.00 0.00 H new ATOM 986 N GLN A 66 -2.157 7.900 -3.960 1.00 0.00 N ATOM 987 CA GLN A 66 -2.143 9.183 -4.652 1.00 0.00 C ATOM 988 C GLN A 66 -2.862 10.251 -3.835 1.00 0.00 C ATOM 989 O GLN A 66 -4.084 10.384 -3.904 1.00 0.00 O ATOM 990 CB GLN A 66 -2.798 9.051 -6.028 1.00 0.00 C ATOM 991 CG GLN A 66 -4.155 8.368 -5.993 1.00 0.00 C ATOM 992 CD GLN A 66 -4.055 6.862 -6.132 1.00 0.00 C ATOM 993 OE1 GLN A 66 -2.968 6.290 -6.044 1.00 0.00 O ATOM 994 NE2 GLN A 66 -5.191 6.210 -6.351 1.00 0.00 N ATOM 0 H GLN A 66 -3.010 7.357 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.104 9.487 -4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.911 10.044 -6.464 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.134 8.488 -6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.655 8.610 -5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.777 8.763 -6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.070 6.724 -6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.185 5.195 -6.453 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.095 11.012 -3.059 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.658 12.069 -2.229 1.00 0.00 C ATOM 1005 C VAL A 67 -3.170 13.224 -3.082 1.00 0.00 C ATOM 1006 O VAL A 67 -2.422 13.857 -3.828 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.621 12.607 -1.225 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.247 13.658 -0.321 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.033 11.468 -0.405 1.00 0.00 C ATOM 0 H VAL A 67 -1.082 10.915 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.491 11.630 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.812 13.078 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.499 14.026 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.615 14.486 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.076 13.216 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.302 11.866 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.830 10.966 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.545 10.755 -1.070 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.476 13.508 -2.970 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.118 14.590 -3.723 1.00 0.00 C ATOM 1021 C PRO A 68 -4.677 15.970 -3.246 1.00 0.00 C ATOM 1022 O PRO A 68 -3.787 16.090 -2.405 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.609 14.379 -3.446 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.654 13.665 -2.139 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.427 12.796 -2.100 1.00 0.00 C ATOM 0 HA PRO A 68 -4.859 14.560 -4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.141 15.329 -3.397 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.079 13.791 -4.235 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.659 14.371 -1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.560 13.065 -2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.042 12.690 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.634 11.791 -2.469 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.307 17.007 -3.788 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.981 18.378 -3.415 1.00 0.00 C ATOM 1035 C ALA A 69 -5.657 18.766 -2.105 1.00 0.00 C ATOM 1036 O ALA A 69 -5.035 19.368 -1.230 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.385 19.337 -4.525 1.00 0.00 C ATOM 0 H ALA A 69 -6.046 16.924 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.903 18.442 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.136 20.357 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.851 19.081 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.458 19.261 -4.699 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.934 18.419 -1.978 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.694 18.733 -0.774 1.00 0.00 C ATOM 1045 C GLU A 70 -6.959 18.255 0.475 1.00 0.00 C ATOM 1046 O GLU A 70 -6.853 18.981 1.463 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.082 18.093 -0.838 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.035 18.798 -1.789 1.00 0.00 C ATOM 1049 CD GLU A 70 -11.340 18.048 -1.970 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -12.153 18.038 -1.022 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -11.548 17.473 -3.058 1.00 0.00 O ATOM 0 H GLU A 70 -7.463 17.921 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.803 19.816 -0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.979 17.052 -1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.517 18.088 0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.245 19.799 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.552 18.918 -2.759 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.452 17.028 0.422 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.729 16.450 1.548 1.00 0.00 C ATOM 1060 C TYR A 71 -5.040 17.536 2.368 1.00 0.00 C ATOM 1061 O TYR A 71 -4.505 18.508 1.834 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.696 15.437 1.053 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.825 14.873 2.153 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.912 15.676 2.824 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.917 13.536 2.521 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.113 15.165 3.828 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.124 13.016 3.526 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.223 13.834 4.176 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.431 13.321 5.178 1.00 0.00 O ATOM 0 H TYR A 71 -6.529 16.415 -0.389 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.450 15.940 2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.213 14.617 0.555 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.061 15.914 0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.825 16.719 2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.620 12.893 2.013 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.406 15.803 4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.209 11.975 3.801 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.984 13.120 5.961 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.052 17.369 3.699 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.686 16.217 4.346 1.00 0.00 C ATOM 1081 C PRO A 72 -7.207 16.256 4.239 1.00 0.00 C ATOM 1082 O PRO A 72 -7.869 15.219 4.281 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.249 16.346 5.808 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.973 17.798 5.994 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.447 18.292 4.674 1.00 0.00 C ATOM 0 HA PRO A 72 -5.393 15.276 3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.029 16.001 6.486 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.362 15.745 6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.878 18.334 6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.245 17.958 6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.741 19.325 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.358 18.258 4.637 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.755 17.459 4.101 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.198 17.633 3.987 1.00 0.00 C ATOM 1095 C HIS A 73 -9.836 16.436 3.290 1.00 0.00 C ATOM 1096 O HIS A 73 -10.921 15.992 3.667 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.519 18.916 3.219 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.422 20.155 4.055 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -10.523 20.799 4.578 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -8.344 20.867 4.460 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -10.127 21.855 5.266 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -8.809 21.918 5.211 1.00 0.00 N ATOM 0 H HIS A 73 -7.221 18.328 4.065 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.611 17.708 4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.837 19.004 2.374 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.526 18.842 2.809 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.311 20.649 4.234 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.772 22.549 5.785 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -8.231 22.632 5.654 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.156 15.918 2.272 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.659 14.773 1.522 1.00 0.00 C ATOM 1113 C GLU A 74 -8.801 13.537 1.777 1.00 0.00 C ATOM 1114 O GLU A 74 -7.594 13.639 1.995 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.687 15.088 0.025 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.253 13.962 -0.824 1.00 0.00 C ATOM 1117 CD GLU A 74 -10.167 14.251 -2.310 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -9.326 15.085 -2.705 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -10.943 13.644 -3.077 1.00 0.00 O ATOM 0 H GLU A 74 -8.256 16.273 1.948 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.674 14.566 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.281 15.988 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.674 15.310 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.713 13.041 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.295 13.794 -0.550 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.434 12.368 1.748 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.730 11.112 1.975 1.00 0.00 C ATOM 1128 C VAL A 75 -7.992 10.661 0.720 1.00 0.00 C ATOM 1129 O VAL A 75 -8.491 10.776 -0.399 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.698 9.998 2.416 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.397 10.379 3.713 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.712 9.709 1.320 1.00 0.00 C ATOM 0 H VAL A 75 -10.433 12.265 1.570 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.009 11.293 2.772 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.122 9.090 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -11.077 9.580 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.654 10.531 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.962 11.299 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.388 8.919 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.285 10.612 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.191 9.388 0.418 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.773 10.134 0.908 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.939 9.653 -0.198 1.00 0.00 C ATOM 1144 C PRO A 76 -6.496 8.385 -0.836 1.00 0.00 C ATOM 1145 O PRO A 76 -6.659 7.364 -0.168 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.592 9.368 0.471 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.928 9.099 1.898 1.00 0.00 C ATOM 1148 CD PRO A 76 -6.115 9.965 2.215 1.00 0.00 C ATOM 0 HA PRO A 76 -5.882 10.378 -1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.095 8.513 0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.915 10.217 0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.162 8.045 2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.086 9.337 2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.777 9.490 2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.812 10.922 2.639 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.787 8.458 -2.130 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.327 7.315 -2.857 1.00 0.00 C ATOM 1158 C GLN A 77 -6.366 6.132 -2.802 1.00 0.00 C ATOM 1159 O GLN A 77 -5.246 6.206 -3.309 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.604 7.694 -4.313 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.956 8.357 -4.522 1.00 0.00 C ATOM 1162 CD GLN A 77 -9.264 8.607 -5.985 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -9.436 7.668 -6.764 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -9.336 9.876 -6.367 1.00 0.00 N ATOM 0 H GLN A 77 -6.658 9.296 -2.697 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.263 7.023 -2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.821 8.368 -4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.549 6.797 -4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.735 7.727 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.979 9.304 -3.983 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.187 10.622 -5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.541 10.105 -7.340 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.811 5.043 -2.184 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.990 3.845 -2.063 1.00 0.00 C ATOM 1175 C ILE A 78 -6.170 2.932 -3.271 1.00 0.00 C ATOM 1176 O ILE A 78 -7.289 2.555 -3.617 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.329 3.057 -0.784 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.177 3.952 0.448 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.437 1.830 -0.666 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.446 4.688 0.819 1.00 0.00 C ATOM 0 H ILE A 78 -7.735 4.966 -1.760 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.953 4.177 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.365 2.725 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.860 3.342 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.385 4.678 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.689 1.283 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.589 1.185 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.393 2.142 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.265 5.303 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.753 5.325 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.235 3.967 1.035 1.00 0.00 H new ATOM 1192 N SER A 79 -5.058 2.579 -3.910 1.00 0.00 N ATOM 1193 CA SER A 79 -5.093 1.711 -5.081 1.00 0.00 C ATOM 1194 C SER A 79 -3.981 0.668 -5.018 1.00 0.00 C ATOM 1195 O SER A 79 -3.013 0.822 -4.272 1.00 0.00 O ATOM 1196 CB SER A 79 -4.957 2.540 -6.360 1.00 0.00 C ATOM 1197 OG SER A 79 -3.672 3.130 -6.452 1.00 0.00 O ATOM 0 H SER A 79 -4.123 2.881 -3.636 1.00 0.00 H new ATOM 0 HA SER A 79 -6.053 1.194 -5.091 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.132 1.905 -7.229 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.720 3.318 -6.375 1.00 0.00 H new ATOM 0 HG SER A 79 -3.611 3.653 -7.278 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.128 -0.392 -5.805 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.137 -1.461 -5.839 1.00 0.00 C ATOM 1205 C ILE A 80 -2.762 -1.817 -7.273 1.00 0.00 C ATOM 1206 O ILE A 80 -3.631 -1.970 -8.133 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.647 -2.725 -5.124 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.975 -2.414 -3.662 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.615 -3.839 -5.215 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.955 -3.386 -3.042 1.00 0.00 C ATOM 0 H ILE A 80 -4.923 -0.534 -6.428 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.255 -1.090 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.559 -3.060 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.052 -2.421 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.385 -1.406 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.991 -4.726 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.426 -4.076 -6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.687 -3.515 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.141 -3.104 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.892 -3.362 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.539 -4.393 -3.075 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.464 -1.950 -7.525 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.974 -2.289 -8.855 1.00 0.00 C ATOM 1224 C ARG A 81 -0.309 -3.663 -8.856 1.00 0.00 C ATOM 1225 O ARG A 81 0.294 -4.071 -7.864 1.00 0.00 O ATOM 1226 CB ARG A 81 0.016 -1.231 -9.343 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.642 -0.071 -10.072 1.00 0.00 C ATOM 1228 CD ARG A 81 0.388 0.931 -10.571 1.00 0.00 C ATOM 1229 NE ARG A 81 0.864 0.604 -11.912 1.00 0.00 N ATOM 1230 CZ ARG A 81 0.229 0.956 -13.024 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -0.903 1.643 -12.955 1.00 0.00 N ATOM 1232 NH2 ARG A 81 0.725 0.622 -14.208 1.00 0.00 N ATOM 0 H ARG A 81 -0.732 -1.828 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.828 -2.317 -9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.571 -0.844 -8.489 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.740 -1.702 -10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.220 -0.450 -10.915 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.343 0.429 -9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.050 1.929 -10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.233 0.956 -9.883 1.00 0.00 H new ATOM 0 HE ARG A 81 1.732 0.076 -12.000 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.288 1.902 -12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.389 1.912 -13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.596 0.094 -14.266 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.236 0.893 -15.061 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.423 -4.370 -9.975 1.00 0.00 N ATOM 1247 CA ASN A 82 0.167 -5.697 -10.104 1.00 0.00 C ATOM 1248 C ASN A 82 -0.151 -6.555 -8.883 1.00 0.00 C ATOM 1249 O ASN A 82 0.738 -7.094 -8.224 1.00 0.00 O ATOM 1250 CB ASN A 82 1.682 -5.589 -10.285 1.00 0.00 C ATOM 1251 CG ASN A 82 2.331 -6.936 -10.543 1.00 0.00 C ATOM 1252 OD1 ASN A 82 3.001 -7.491 -9.673 1.00 0.00 O ATOM 1253 ND2 ASN A 82 2.134 -7.467 -11.744 1.00 0.00 N ATOM 0 H ASN A 82 -0.919 -4.046 -10.806 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.264 -6.175 -10.984 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.899 -4.919 -11.117 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.121 -5.142 -9.393 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.546 -8.371 -11.976 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.571 -6.971 -12.435 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.449 -6.685 -8.573 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.915 -7.476 -7.430 1.00 0.00 C ATOM 1262 C PRO A 83 -1.715 -8.973 -7.642 1.00 0.00 C ATOM 1263 O PRO A 83 -2.625 -9.674 -8.085 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.407 -7.142 -7.351 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.779 -6.740 -8.737 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.563 -6.069 -9.314 1.00 0.00 C ATOM 0 HA PRO A 83 -1.363 -7.241 -6.520 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.988 -8.002 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.595 -6.337 -6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.065 -7.608 -9.332 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.633 -6.062 -8.731 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.478 -6.245 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.593 -4.989 -9.169 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.519 -9.456 -7.322 1.00 0.00 N ATOM 1275 CA ARG A 84 -0.200 -10.870 -7.478 1.00 0.00 C ATOM 1276 C ARG A 84 -0.231 -11.587 -6.131 1.00 0.00 C ATOM 1277 O ARG A 84 0.018 -10.982 -5.089 1.00 0.00 O ATOM 1278 CB ARG A 84 1.176 -11.036 -8.124 1.00 0.00 C ATOM 1279 CG ARG A 84 1.494 -12.468 -8.523 1.00 0.00 C ATOM 1280 CD ARG A 84 0.603 -12.939 -9.662 1.00 0.00 C ATOM 1281 NE ARG A 84 0.854 -12.198 -10.895 1.00 0.00 N ATOM 1282 CZ ARG A 84 0.560 -12.663 -12.105 1.00 0.00 C ATOM 1283 NH1 ARG A 84 0.008 -13.860 -12.242 1.00 0.00 N ATOM 1284 NH2 ARG A 84 0.818 -11.929 -13.179 1.00 0.00 N ATOM 0 H ARG A 84 0.245 -8.889 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.954 -11.317 -8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.232 -10.401 -9.008 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.939 -10.684 -7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.539 -12.540 -8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.364 -13.124 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.770 -14.002 -9.837 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.442 -12.824 -9.376 1.00 0.00 H new ATOM 0 HE ARG A 84 1.278 -11.273 -10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.192 -14.427 -11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.217 -14.215 -13.172 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.242 -11.007 -13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.592 -12.286 -14.107 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.538 -12.880 -6.161 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.597 -13.657 -4.936 1.00 0.00 C ATOM 1300 C GLY A 85 -1.945 -13.556 -4.250 1.00 0.00 C ATOM 1301 O GLY A 85 -2.532 -14.569 -3.868 1.00 0.00 O ATOM 0 H GLY A 85 -0.747 -13.403 -7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.385 -14.702 -5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.181 -13.314 -4.254 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.436 -12.332 -4.090 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.723 -12.103 -3.443 1.00 0.00 C ATOM 1307 C LEU A 86 -4.873 -12.372 -4.408 1.00 0.00 C ATOM 1308 O LEU A 86 -4.681 -12.410 -5.623 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.804 -10.667 -2.921 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.706 -10.244 -1.946 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.565 -8.730 -1.925 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.998 -10.774 -0.550 1.00 0.00 C ATOM 0 H LEU A 86 -1.963 -11.483 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.809 -12.794 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.784 -9.990 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.768 -10.534 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.762 -10.672 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.779 -8.447 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.308 -8.375 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.508 -8.281 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.205 -10.463 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.952 -10.377 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.046 -11.863 -0.577 1.00 0.00 H new ATOM 1324 N SER A 87 -6.069 -12.555 -3.858 1.00 0.00 N ATOM 1325 CA SER A 87 -7.251 -12.822 -4.669 1.00 0.00 C ATOM 1326 C SER A 87 -8.175 -11.608 -4.700 1.00 0.00 C ATOM 1327 O SER A 87 -8.092 -10.729 -3.841 1.00 0.00 O ATOM 1328 CB SER A 87 -8.005 -14.037 -4.126 1.00 0.00 C ATOM 1329 OG SER A 87 -7.162 -15.174 -4.064 1.00 0.00 O ATOM 0 H SER A 87 -6.245 -12.523 -2.854 1.00 0.00 H new ATOM 0 HA SER A 87 -6.922 -13.033 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.393 -13.814 -3.132 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.863 -14.251 -4.763 1.00 0.00 H new ATOM 0 HG SER A 87 -7.667 -15.937 -3.712 1.00 0.00 H new ATOM 1335 N ASP A 88 -9.053 -11.566 -5.695 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.994 -10.461 -5.839 1.00 0.00 C ATOM 1337 C ASP A 88 -10.546 -10.037 -4.481 1.00 0.00 C ATOM 1338 O ASP A 88 -10.654 -8.847 -4.189 1.00 0.00 O ATOM 1339 CB ASP A 88 -11.142 -10.857 -6.769 1.00 0.00 C ATOM 1340 CG ASP A 88 -10.774 -10.720 -8.233 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -9.912 -11.492 -8.703 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -11.347 -9.841 -8.909 1.00 0.00 O ATOM 0 H ASP A 88 -9.133 -12.284 -6.415 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.460 -9.616 -6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.432 -11.888 -6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.010 -10.234 -6.556 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.895 -11.020 -3.657 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.437 -10.748 -2.331 1.00 0.00 C ATOM 1349 C GLU A 89 -10.392 -10.082 -1.441 1.00 0.00 C ATOM 1350 O GLU A 89 -10.625 -9.007 -0.891 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.927 -12.044 -1.680 1.00 0.00 C ATOM 1352 CG GLU A 89 -12.399 -11.865 -0.247 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.656 -11.022 -0.148 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -14.738 -11.523 -0.520 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -13.557 -9.861 0.301 1.00 0.00 O ATOM 0 H GLU A 89 -10.812 -12.011 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.279 -10.066 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.744 -12.453 -2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.121 -12.778 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.587 -12.844 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.606 -11.398 0.337 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.240 -10.731 -1.305 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.159 -10.203 -0.481 1.00 0.00 C ATOM 1364 C GLN A 90 -7.861 -8.750 -0.840 1.00 0.00 C ATOM 1365 O GLN A 90 -7.923 -7.865 0.014 1.00 0.00 O ATOM 1366 CB GLN A 90 -6.898 -11.051 -0.651 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.073 -12.496 -0.212 1.00 0.00 C ATOM 1368 CD GLN A 90 -5.798 -13.305 -0.345 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -5.482 -13.816 -1.420 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.056 -13.426 0.749 1.00 0.00 N ATOM 0 H GLN A 90 -9.031 -11.623 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.477 -10.244 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.596 -11.032 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.088 -10.601 -0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.407 -12.519 0.825 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.858 -12.961 -0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.355 -12.986 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.187 -13.959 0.719 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.538 -8.513 -2.107 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.231 -7.169 -2.578 1.00 0.00 C ATOM 1381 C ILE A 91 -8.266 -6.164 -2.083 1.00 0.00 C ATOM 1382 O ILE A 91 -7.926 -5.171 -1.439 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.169 -7.111 -4.115 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.073 -8.041 -4.639 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.928 -5.683 -4.583 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.272 -8.460 -6.078 1.00 0.00 C ATOM 0 H ILE A 91 -7.482 -9.235 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.253 -6.909 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.126 -7.447 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.109 -7.542 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.033 -8.932 -4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.887 -5.659 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.741 -5.045 -4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.984 -5.321 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.458 -9.118 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.221 -8.988 -6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.281 -7.576 -6.716 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.533 -6.428 -2.389 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.619 -5.548 -1.974 1.00 0.00 C ATOM 1400 C HIS A 92 -10.466 -5.149 -0.509 1.00 0.00 C ATOM 1401 O HIS A 92 -10.426 -3.964 -0.178 1.00 0.00 O ATOM 1402 CB HIS A 92 -11.969 -6.233 -2.189 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.104 -5.274 -2.379 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.073 -5.056 -1.424 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.419 -4.473 -3.423 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -14.937 -4.163 -1.872 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.563 -3.793 -3.083 1.00 0.00 N ATOM 0 H HIS A 92 -9.832 -7.244 -2.923 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.576 -4.646 -2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.903 -6.882 -3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.184 -6.872 -1.332 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -14.116 -5.513 -0.513 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.873 -4.385 -4.351 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -15.802 -3.798 -1.339 1.00 0.00 H new ATOM 1416 N THR A 93 -10.381 -6.147 0.366 1.00 0.00 N ATOM 1417 CA THR A 93 -10.234 -5.901 1.794 1.00 0.00 C ATOM 1418 C THR A 93 -9.229 -4.785 2.059 1.00 0.00 C ATOM 1419 O THR A 93 -9.565 -3.767 2.665 1.00 0.00 O ATOM 1420 CB THR A 93 -9.782 -7.171 2.540 1.00 0.00 C ATOM 1421 OG1 THR A 93 -10.601 -8.281 2.158 1.00 0.00 O ATOM 1422 CG2 THR A 93 -9.860 -6.971 4.046 1.00 0.00 C ATOM 0 H THR A 93 -10.412 -7.134 0.109 1.00 0.00 H new ATOM 0 HA THR A 93 -11.214 -5.600 2.165 1.00 0.00 H new ATOM 0 HB THR A 93 -8.746 -7.375 2.270 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.306 -9.085 2.635 1.00 0.00 H new ATOM 0 HG21 THR A 93 -9.536 -7.881 4.551 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.212 -6.144 4.337 1.00 0.00 H new ATOM 0 HG23 THR A 93 -10.888 -6.744 4.330 1.00 0.00 H new ATOM 1430 N ILE A 94 -7.998 -4.983 1.602 1.00 0.00 N ATOM 1431 CA ILE A 94 -6.946 -3.992 1.788 1.00 0.00 C ATOM 1432 C ILE A 94 -7.440 -2.592 1.439 1.00 0.00 C ATOM 1433 O ILE A 94 -6.976 -1.599 2.001 1.00 0.00 O ATOM 1434 CB ILE A 94 -5.708 -4.316 0.930 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.170 -5.705 1.276 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -4.632 -3.259 1.132 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.304 -6.306 0.191 1.00 0.00 C ATOM 0 H ILE A 94 -7.704 -5.821 1.100 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.667 -4.024 2.841 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.001 -4.312 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.592 -5.642 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.009 -6.373 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.764 -3.502 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.021 -2.284 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.340 -3.234 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.958 -7.291 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.884 -6.401 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.445 -5.660 0.012 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.387 -2.520 0.510 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.948 -1.242 0.087 1.00 0.00 C ATOM 1451 C LEU A 95 -10.041 -0.782 1.046 1.00 0.00 C ATOM 1452 O LEU A 95 -9.869 0.196 1.774 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.512 -1.354 -1.331 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.547 -1.873 -2.398 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.309 -2.310 -3.639 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.519 -0.808 -2.749 1.00 0.00 C ATOM 0 H LEU A 95 -8.782 -3.332 0.035 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.148 -0.502 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.381 -2.012 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.867 -0.370 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.021 -2.739 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.606 -2.676 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.007 -3.105 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.861 -1.462 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.840 -1.194 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.028 0.077 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.951 -0.542 -1.857 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.162 -1.495 1.043 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.282 -1.160 1.914 1.00 0.00 C ATOM 1470 C GLN A 96 -11.796 -0.818 3.319 1.00 0.00 C ATOM 1471 O GLN A 96 -12.317 0.092 3.963 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.274 -2.323 1.975 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.617 -3.672 2.219 1.00 0.00 C ATOM 1474 CD GLN A 96 -13.625 -4.775 2.470 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -13.637 -5.777 1.598 1.00 0.00 O flip ATOM 1476 NE2 GLN A 96 -14.386 -4.729 3.437 1.00 0.00 N flip ATOM 0 H GLN A 96 -11.319 -2.308 0.447 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.783 -0.285 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -13.997 -2.132 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.831 -2.364 1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.004 -3.935 1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.947 -3.596 3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -14.343 -3.940 4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -15.059 -5.479 3.592 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.794 -1.554 3.788 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.236 -1.329 5.116 1.00 0.00 C ATOM 1487 C VAL A 97 -9.545 0.028 5.199 1.00 0.00 C ATOM 1488 O VAL A 97 -10.042 0.952 5.844 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.229 -2.430 5.497 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.350 -1.974 6.652 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.956 -3.719 5.846 1.00 0.00 C ATOM 0 H VAL A 97 -10.352 -2.312 3.268 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.070 -1.353 5.817 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.587 -2.623 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.645 -2.765 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.801 -1.079 6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.974 -1.751 7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.229 -4.486 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.624 -3.543 6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.537 -4.053 4.986 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.396 0.141 4.542 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.635 1.385 4.540 1.00 0.00 C ATOM 1503 C LEU A 98 -8.549 2.582 4.299 1.00 0.00 C ATOM 1504 O LEU A 98 -8.403 3.626 4.934 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.545 1.338 3.467 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.476 0.259 3.644 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.694 0.067 2.354 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.541 0.617 4.789 1.00 0.00 C ATOM 0 H LEU A 98 -7.971 -0.614 4.004 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.169 1.498 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.023 1.193 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.051 2.309 3.436 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.972 -0.681 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.938 -0.704 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.374 -0.236 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.209 1.004 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.787 -0.162 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.052 1.568 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.113 0.703 5.713 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.495 2.423 3.378 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.421 3.497 3.071 1.00 0.00 C ATOM 1522 C GLY A 99 -10.916 4.209 4.315 1.00 0.00 C ATOM 1523 O GLY A 99 -10.847 5.435 4.406 1.00 0.00 O ATOM 0 H GLY A 99 -9.636 1.569 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.933 4.217 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.273 3.093 2.524 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.417 3.439 5.275 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.927 4.003 6.520 1.00 0.00 C ATOM 1529 C HIS A 100 -10.801 4.639 7.329 1.00 0.00 C ATOM 1530 O HIS A 100 -10.883 5.805 7.716 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.619 2.921 7.349 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.597 3.190 8.822 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -13.303 4.220 9.410 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -11.952 2.556 9.829 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -13.090 4.208 10.713 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.274 3.208 10.994 1.00 0.00 N ATOM 0 H HIS A 100 -11.481 2.423 5.215 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.653 4.777 6.270 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.654 2.829 7.020 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.137 1.963 7.156 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.304 1.697 9.734 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.512 4.899 11.428 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.938 2.960 11.925 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.751 3.866 7.582 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.608 4.354 8.345 1.00 0.00 C ATOM 1547 C VAL A 101 -8.267 5.790 7.966 1.00 0.00 C ATOM 1548 O VAL A 101 -7.957 6.613 8.827 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.367 3.468 8.126 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.163 4.047 8.852 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.642 2.044 8.583 1.00 0.00 C ATOM 0 H VAL A 101 -9.667 2.899 7.270 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.891 4.316 9.397 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.142 3.445 7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.296 3.408 8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.955 5.047 8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.374 4.102 9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.755 1.432 8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.894 2.044 9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.475 1.633 8.013 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.328 6.085 6.672 1.00 0.00 N ATOM 1562 CA ALA A 102 -8.028 7.424 6.178 1.00 0.00 C ATOM 1563 C ALA A 102 -8.794 8.483 6.964 1.00 0.00 C ATOM 1564 O ALA A 102 -8.197 9.355 7.596 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.355 7.525 4.696 1.00 0.00 C ATOM 0 H ALA A 102 -8.582 5.415 5.946 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.962 7.606 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.126 8.530 4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.759 6.800 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.414 7.318 4.542 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.119 8.402 6.921 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.968 9.353 7.629 1.00 0.00 C ATOM 1573 C LYS A 103 -10.608 9.405 9.111 1.00 0.00 C ATOM 1574 O LYS A 103 -10.645 10.467 9.731 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.441 8.974 7.465 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.876 8.839 6.016 1.00 0.00 C ATOM 1577 CD LYS A 103 -14.390 8.872 5.882 1.00 0.00 C ATOM 1578 CE LYS A 103 -14.850 8.211 4.592 1.00 0.00 C ATOM 1579 NZ LYS A 103 -14.843 9.164 3.447 1.00 0.00 N ATOM 0 H LYS A 103 -10.629 7.687 6.403 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.803 10.340 7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.625 8.031 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.058 9.729 7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.440 9.647 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.494 7.904 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.843 8.364 6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.736 9.905 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.200 7.366 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.856 7.812 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.163 8.675 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.483 9.958 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.879 9.525 3.302 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.258 8.251 9.671 1.00 0.00 N ATOM 1594 CA ALA A 104 -9.888 8.167 11.078 1.00 0.00 C ATOM 1595 C ALA A 104 -8.669 9.032 11.378 1.00 0.00 C ATOM 1596 O ALA A 104 -8.442 9.428 12.520 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.621 6.720 11.468 1.00 0.00 C ATOM 0 H ALA A 104 -10.223 7.362 9.172 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.722 8.543 11.671 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.346 6.672 12.522 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.520 6.126 11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.806 6.324 10.862 1.00 0.00 H new ATOM 1603 N GLY A 105 -7.884 9.320 10.344 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.696 10.135 10.518 1.00 0.00 C ATOM 1605 C GLY A 105 -6.716 11.380 9.653 1.00 0.00 C ATOM 1606 O GLY A 105 -5.688 11.779 9.104 1.00 0.00 O ATOM 0 H GLY A 105 -8.050 9.003 9.389 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.608 10.425 11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.814 9.542 10.276 1.00 0.00 H new ATOM 1610 N LEU A 106 -7.887 11.994 9.529 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.036 13.201 8.723 1.00 0.00 C ATOM 1612 C LEU A 106 -7.621 14.438 9.512 1.00 0.00 C ATOM 1613 O LEU A 106 -7.646 14.440 10.742 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.484 13.345 8.250 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.810 12.729 6.889 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.315 12.665 6.679 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.147 13.522 5.772 1.00 0.00 C ATOM 0 H LEU A 106 -8.747 11.676 9.976 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.383 13.112 7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.136 12.892 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.730 14.406 8.214 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.417 11.712 6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.528 12.224 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.766 12.054 7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.731 13.672 6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.390 13.069 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.509 14.550 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.066 13.516 5.913 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.241 15.491 8.795 1.00 0.00 N ATOM 1630 CA GLY A 107 -6.828 16.721 9.445 1.00 0.00 C ATOM 1631 C GLY A 107 -5.363 16.707 9.836 1.00 0.00 C ATOM 1632 O GLY A 107 -4.726 17.757 9.927 1.00 0.00 O ATOM 0 H GLY A 107 -7.212 15.514 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.014 17.562 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.437 16.880 10.335 1.00 0.00 H new ATOM 1636 N THR A 108 -4.826 15.513 10.069 1.00 0.00 N ATOM 1637 CA THR A 108 -3.428 15.367 10.455 1.00 0.00 C ATOM 1638 C THR A 108 -2.743 14.279 9.636 1.00 0.00 C ATOM 1639 O THR A 108 -3.379 13.606 8.825 1.00 0.00 O ATOM 1640 CB THR A 108 -3.291 15.029 11.952 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.936 13.782 12.234 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.899 16.126 12.812 1.00 0.00 C ATOM 0 H THR A 108 -5.338 14.634 9.997 1.00 0.00 H new ATOM 0 HA THR A 108 -2.944 16.324 10.260 1.00 0.00 H new ATOM 0 HB THR A 108 -2.230 14.950 12.188 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.843 13.574 13.187 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.790 15.865 13.865 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.386 17.068 12.617 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.957 16.232 12.572 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.443 14.112 9.853 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.672 13.104 9.136 1.00 0.00 C ATOM 1652 C ALA A 109 -1.332 11.733 9.237 1.00 0.00 C ATOM 1653 O ALA A 109 -1.657 11.269 10.330 1.00 0.00 O ATOM 1654 CB ALA A 109 0.751 13.047 9.673 1.00 0.00 C ATOM 0 H ALA A 109 -0.901 14.662 10.520 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.641 13.387 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.315 12.290 9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.228 14.018 9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.730 12.792 10.732 1.00 0.00 H new ATOM 1660 N MET A 110 -1.530 11.091 8.091 1.00 0.00 N ATOM 1661 CA MET A 110 -2.152 9.772 8.051 1.00 0.00 C ATOM 1662 C MET A 110 -1.295 8.791 7.257 1.00 0.00 C ATOM 1663 O MET A 110 -1.208 7.610 7.598 1.00 0.00 O ATOM 1664 CB MET A 110 -3.549 9.862 7.435 1.00 0.00 C ATOM 1665 CG MET A 110 -3.620 10.772 6.219 1.00 0.00 C ATOM 1666 SD MET A 110 -5.071 10.455 5.198 1.00 0.00 S ATOM 1667 CE MET A 110 -6.101 11.855 5.629 1.00 0.00 C ATOM 0 H MET A 110 -1.269 11.462 7.177 1.00 0.00 H new ATOM 0 HA MET A 110 -2.237 9.407 9.074 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.876 8.862 7.150 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.247 10.223 8.190 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.632 11.811 6.548 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.721 10.639 5.617 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.100 11.505 5.891 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.666 12.379 6.480 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.166 12.534 4.779 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.665 9.285 6.198 1.00 0.00 N ATOM 1678 CA LEU A 111 0.185 8.451 5.355 1.00 0.00 C ATOM 1679 C LEU A 111 0.955 7.436 6.193 1.00 0.00 C ATOM 1680 O LEU A 111 0.983 6.247 5.875 1.00 0.00 O ATOM 1681 CB LEU A 111 1.162 9.321 4.562 1.00 0.00 C ATOM 1682 CG LEU A 111 0.534 10.355 3.627 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.605 11.251 3.026 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.266 9.667 2.531 1.00 0.00 C ATOM 0 H LEU A 111 -0.726 10.259 5.902 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.456 7.909 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.807 9.844 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.802 8.667 3.970 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.146 10.977 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.139 11.981 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.134 11.772 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.311 10.644 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.706 10.418 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.392 9.020 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.059 9.069 2.980 1.00 0.00 H new ATOM 1696 N TYR A 112 1.577 7.912 7.266 1.00 0.00 N ATOM 1697 CA TYR A 112 2.347 7.046 8.150 1.00 0.00 C ATOM 1698 C TYR A 112 1.512 5.855 8.610 1.00 0.00 C ATOM 1699 O TYR A 112 1.906 4.703 8.433 1.00 0.00 O ATOM 1700 CB TYR A 112 2.844 7.834 9.364 1.00 0.00 C ATOM 1701 CG TYR A 112 3.708 7.021 10.301 1.00 0.00 C ATOM 1702 CD1 TYR A 112 5.046 6.782 10.011 1.00 0.00 C ATOM 1703 CD2 TYR A 112 3.188 6.492 11.475 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.840 6.039 10.863 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.975 5.749 12.334 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.300 5.526 12.024 1.00 0.00 C ATOM 1707 OH TYR A 112 6.087 4.785 12.876 1.00 0.00 O ATOM 0 H TYR A 112 1.563 8.893 7.544 1.00 0.00 H new ATOM 0 HA TYR A 112 3.205 6.671 7.592 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.411 8.698 9.018 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.985 8.216 9.915 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.472 7.184 9.104 1.00 0.00 H new ATOM 0 HD2 TYR A 112 2.151 6.664 11.721 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.877 5.861 10.621 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.555 5.345 13.243 1.00 0.00 H new ATOM 0 HH TYR A 112 5.965 3.831 12.688 1.00 0.00 H new ATOM 1717 N GLU A 113 0.356 6.144 9.200 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.535 5.096 9.685 1.00 0.00 C ATOM 1719 C GLU A 113 -1.001 4.204 8.538 1.00 0.00 C ATOM 1720 O GLU A 113 -0.781 2.992 8.550 1.00 0.00 O ATOM 1721 CB GLU A 113 -1.745 5.712 10.391 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.314 4.839 11.496 1.00 0.00 C ATOM 1723 CD GLU A 113 -2.595 3.422 11.034 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -2.971 3.246 9.856 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -2.439 2.489 11.850 1.00 0.00 O ATOM 0 H GLU A 113 0.015 7.093 9.353 1.00 0.00 H new ATOM 0 HA GLU A 113 0.019 4.483 10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.458 6.675 10.812 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.525 5.906 9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.613 4.813 12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.236 5.285 11.868 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.647 4.812 7.549 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.146 4.073 6.394 1.00 0.00 C ATOM 1734 C LEU A 114 -1.134 3.026 5.939 1.00 0.00 C ATOM 1735 O LEU A 114 -1.484 1.868 5.712 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.455 5.034 5.244 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.830 5.702 5.279 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.863 6.905 4.349 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.917 4.706 4.904 1.00 0.00 C ATOM 0 H LEU A 114 -1.837 5.814 7.523 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.062 3.562 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.694 5.814 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.362 4.488 4.305 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.018 6.049 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.849 7.367 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.111 7.628 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.653 6.582 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.889 5.199 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.733 4.328 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.909 3.876 5.610 1.00 0.00 H new ATOM 1751 N ILE A 115 0.121 3.442 5.808 1.00 0.00 N ATOM 1752 CA ILE A 115 1.184 2.539 5.384 1.00 0.00 C ATOM 1753 C ILE A 115 1.406 1.431 6.407 1.00 0.00 C ATOM 1754 O ILE A 115 1.469 0.253 6.057 1.00 0.00 O ATOM 1755 CB ILE A 115 2.509 3.293 5.165 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.346 4.349 4.070 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.620 2.317 4.806 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.312 5.506 4.197 1.00 0.00 C ATOM 0 H ILE A 115 0.427 4.398 5.989 1.00 0.00 H new ATOM 0 HA ILE A 115 0.865 2.099 4.439 1.00 0.00 H new ATOM 0 HB ILE A 115 2.780 3.798 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.484 3.876 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.326 4.733 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.550 2.864 4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.749 1.599 5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.357 1.787 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.139 6.215 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.159 6.004 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.335 5.134 4.140 1.00 0.00 H new ATOM 1770 N GLU A 116 1.521 1.817 7.674 1.00 0.00 N ATOM 1771 CA GLU A 116 1.734 0.855 8.749 1.00 0.00 C ATOM 1772 C GLU A 116 0.640 -0.209 8.752 1.00 0.00 C ATOM 1773 O GLU A 116 0.917 -1.401 8.887 1.00 0.00 O ATOM 1774 CB GLU A 116 1.772 1.568 10.102 1.00 0.00 C ATOM 1775 CG GLU A 116 2.956 2.507 10.263 1.00 0.00 C ATOM 1776 CD GLU A 116 4.252 1.769 10.537 1.00 0.00 C ATOM 1777 OE1 GLU A 116 4.616 0.890 9.727 1.00 0.00 O ATOM 1778 OE2 GLU A 116 4.902 2.069 11.560 1.00 0.00 O ATOM 0 H GLU A 116 1.470 2.788 7.981 1.00 0.00 H new ATOM 0 HA GLU A 116 2.693 0.365 8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.850 2.135 10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.801 0.822 10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.067 3.105 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 116 2.757 3.200 11.080 1.00 0.00 H new ATOM 1785 N LYS A 117 -0.605 0.231 8.604 1.00 0.00 N ATOM 1786 CA LYS A 117 -1.743 -0.680 8.589 1.00 0.00 C ATOM 1787 C LYS A 117 -1.664 -1.629 7.397 1.00 0.00 C ATOM 1788 O LYS A 117 -1.874 -2.833 7.535 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.054 0.108 8.541 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.292 -0.772 8.517 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.630 -1.296 9.903 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.341 -0.243 10.738 1.00 0.00 C ATOM 1793 NZ LYS A 117 -5.729 -0.767 12.077 1.00 0.00 N ATOM 0 H LYS A 117 -0.852 1.214 8.493 1.00 0.00 H new ATOM 0 HA LYS A 117 -1.715 -1.271 9.505 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.104 0.767 9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.054 0.744 7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.136 -0.204 8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.131 -1.610 7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.262 -2.180 9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.716 -1.607 10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.691 0.623 10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.231 0.099 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.211 -0.019 12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.370 -1.578 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.877 -1.070 12.591 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.358 -1.078 6.226 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.256 -1.890 5.028 1.00 0.00 C ATOM 1809 C GLY A 118 -0.612 -3.236 5.293 1.00 0.00 C ATOM 1810 O GLY A 118 -1.234 -4.280 5.095 1.00 0.00 O ATOM 0 H GLY A 118 -1.179 -0.084 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.251 -2.043 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.675 -1.354 4.278 1.00 0.00 H new ATOM 1814 N LYS A 119 0.639 -3.214 5.741 1.00 0.00 N ATOM 1815 CA LYS A 119 1.369 -4.442 6.034 1.00 0.00 C ATOM 1816 C LYS A 119 0.595 -5.313 7.018 1.00 0.00 C ATOM 1817 O LYS A 119 0.437 -6.515 6.805 1.00 0.00 O ATOM 1818 CB LYS A 119 2.751 -4.114 6.604 1.00 0.00 C ATOM 1819 CG LYS A 119 3.666 -3.414 5.615 1.00 0.00 C ATOM 1820 CD LYS A 119 4.932 -2.909 6.287 1.00 0.00 C ATOM 1821 CE LYS A 119 4.658 -1.678 7.137 1.00 0.00 C ATOM 1822 NZ LYS A 119 4.778 -0.421 6.348 1.00 0.00 N ATOM 0 H LYS A 119 1.169 -2.359 5.909 1.00 0.00 H new ATOM 0 HA LYS A 119 1.489 -4.995 5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.631 -3.483 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.226 -5.037 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.929 -4.102 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.137 -2.578 5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.353 -3.697 6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.678 -2.670 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.657 -1.746 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.358 -1.651 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.601 0.396 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.736 -0.352 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.081 -0.428 5.576 1.00 0.00 H new ATOM 1836 N GLU A 120 0.114 -4.699 8.095 1.00 0.00 N ATOM 1837 CA GLU A 120 -0.644 -5.420 9.110 1.00 0.00 C ATOM 1838 C GLU A 120 -1.773 -6.228 8.476 1.00 0.00 C ATOM 1839 O GLU A 120 -1.910 -7.425 8.726 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.217 -4.444 10.140 1.00 0.00 C ATOM 1841 CG GLU A 120 -0.159 -3.790 11.013 1.00 0.00 C ATOM 1842 CD GLU A 120 0.796 -4.796 11.625 1.00 0.00 C ATOM 1843 OE1 GLU A 120 0.370 -5.540 12.534 1.00 0.00 O ATOM 1844 OE2 GLU A 120 1.968 -4.840 11.197 1.00 0.00 O ATOM 0 H GLU A 120 0.236 -3.705 8.286 1.00 0.00 H new ATOM 0 HA GLU A 120 0.035 -6.109 9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.778 -3.667 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.924 -4.975 10.777 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.407 -3.074 10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.647 -3.227 11.809 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.578 -5.563 7.654 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.695 -6.218 6.984 1.00 0.00 C ATOM 1853 C ILE A 121 -3.301 -7.605 6.489 1.00 0.00 C ATOM 1854 O ILE A 121 -4.023 -8.581 6.700 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.203 -5.385 5.792 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.696 -4.018 6.271 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.311 -6.128 5.061 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.677 -2.958 5.192 1.00 0.00 C ATOM 0 H ILE A 121 -2.478 -4.572 7.436 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.494 -6.310 7.719 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.377 -5.229 5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.712 -4.120 6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.075 -3.688 7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.660 -5.527 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.929 -7.080 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.140 -6.311 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.039 -2.015 5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.658 -2.828 4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.320 -3.266 4.368 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.150 -7.688 5.831 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.657 -8.957 5.306 1.00 0.00 C ATOM 1872 C LEU A 122 -1.330 -9.924 6.440 1.00 0.00 C ATOM 1873 O LEU A 122 -1.444 -11.140 6.284 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.416 -8.727 4.442 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.672 -8.250 3.012 1.00 0.00 C ATOM 1876 CD1 LEU A 122 0.602 -7.689 2.400 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.220 -9.387 2.161 1.00 0.00 C ATOM 0 H LEU A 122 -1.540 -6.891 5.648 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.442 -9.398 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.218 -7.994 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.149 -9.658 4.397 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.416 -7.454 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.400 -7.355 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 122 0.952 -6.846 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.369 -8.464 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.396 -9.030 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.499 -10.204 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.158 -9.742 2.589 1.00 0.00 H new