USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 515 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 Single : A 14 ASN : amide:sc= 0.434 X(o=0.43,f=0) USER MOD Single : A 17 GLN : amide:sc= -1.1 K(o=-1.1,f=-5!) USER MOD Single : A 20 MET CE :methyl -143:sc= -0.175 (180deg=-1.01) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 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 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 1.14 (180deg=0.66) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 41 GLN : amide:sc= -1.81 K(o=-1.8,f=-3.1) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.0367 (180deg=-0.268) USER MOD Single : A 48 MET CE :methyl -147:sc= -4.44! (180deg=-5.69!) USER MOD Single : A 50 MET CE :methyl -115:sc= -0.125 (180deg=-3.74!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.392 K(o=-0.39,f=-3.4!) USER MOD Single : A 75 GLN : amide:sc= -0.0367 K(o=-0.037,f=-0.81) USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= -0.35 (180deg=-1.35!) USER MOD Single : A 79 MET CE :methyl -141:sc= -0.162 (180deg=-3.04) USER MOD ----------------------------------------------------------------- ATOM 131 N ASN A 14 4.206 9.910 11.204 1.00 0.00 N ATOM 132 CA ASN A 14 3.769 8.689 10.535 1.00 0.00 C ATOM 133 C ASN A 14 4.337 8.611 9.121 1.00 0.00 C ATOM 134 O ASN A 14 4.320 9.593 8.379 1.00 0.00 O ATOM 135 CB ASN A 14 2.241 8.628 10.488 1.00 0.00 C ATOM 136 CG ASN A 14 1.637 8.239 11.823 1.00 0.00 C ATOM 137 OD1 ASN A 14 1.094 9.080 12.540 1.00 0.00 O ATOM 138 ND2 ASN A 14 1.728 6.959 12.164 1.00 0.00 N ATOM 0 HA ASN A 14 4.142 7.838 11.105 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.850 9.599 10.185 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.932 7.909 9.729 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.339 6.639 13.051 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.187 6.296 11.539 1.00 0.00 H new ATOM 145 N ALA A 15 4.838 7.436 8.755 1.00 0.00 N ATOM 146 CA ALA A 15 5.408 7.228 7.430 1.00 0.00 C ATOM 147 C ALA A 15 4.325 6.884 6.414 1.00 0.00 C ATOM 148 O ALA A 15 3.389 6.143 6.716 1.00 0.00 O ATOM 149 CB ALA A 15 6.461 6.131 7.474 1.00 0.00 C ATOM 0 H ALA A 15 4.861 6.613 9.358 1.00 0.00 H new ATOM 0 HA ALA A 15 5.882 8.158 7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.878 5.987 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.256 6.417 8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.004 5.202 7.814 1.00 0.00 H new ATOM 155 N VAL A 16 4.456 7.428 5.208 1.00 0.00 N ATOM 156 CA VAL A 16 3.488 7.178 4.147 1.00 0.00 C ATOM 157 C VAL A 16 4.186 6.885 2.824 1.00 0.00 C ATOM 158 O VAL A 16 5.229 7.463 2.521 1.00 0.00 O ATOM 159 CB VAL A 16 2.538 8.376 3.960 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.255 9.523 3.265 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.301 7.958 3.179 1.00 0.00 C ATOM 0 H VAL A 16 5.223 8.045 4.942 1.00 0.00 H new ATOM 0 HA VAL A 16 2.906 6.307 4.448 1.00 0.00 H new ATOM 0 HB VAL A 16 2.219 8.722 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.568 10.360 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.107 9.838 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.605 9.194 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.641 8.817 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.598 7.586 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.776 7.172 3.722 1.00 0.00 H new ATOM 171 N GLN A 17 3.602 5.986 2.039 1.00 0.00 N ATOM 172 CA GLN A 17 4.168 5.617 0.747 1.00 0.00 C ATOM 173 C GLN A 17 3.070 5.412 -0.291 1.00 0.00 C ATOM 174 O GLN A 17 2.117 4.668 -0.061 1.00 0.00 O ATOM 175 CB GLN A 17 5.006 4.343 0.879 1.00 0.00 C ATOM 176 CG GLN A 17 6.422 4.595 1.370 1.00 0.00 C ATOM 177 CD GLN A 17 7.285 5.289 0.333 1.00 0.00 C ATOM 178 OE1 GLN A 17 6.781 6.013 -0.526 1.00 0.00 O ATOM 179 NE2 GLN A 17 8.592 5.070 0.408 1.00 0.00 N ATOM 0 H GLN A 17 2.737 5.500 2.275 1.00 0.00 H new ATOM 0 HA GLN A 17 4.809 6.433 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.508 3.660 1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.049 3.845 -0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.386 5.204 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.882 3.645 1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.966 4.462 1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.222 5.509 -0.263 1.00 0.00 H new ATOM 188 N GLU A 18 3.211 6.077 -1.433 1.00 0.00 N ATOM 189 CA GLU A 18 2.229 5.968 -2.506 1.00 0.00 C ATOM 190 C GLU A 18 2.784 5.154 -3.671 1.00 0.00 C ATOM 191 O GLU A 18 3.928 5.344 -4.085 1.00 0.00 O ATOM 192 CB GLU A 18 1.815 7.358 -2.992 1.00 0.00 C ATOM 193 CG GLU A 18 1.041 8.159 -1.958 1.00 0.00 C ATOM 194 CD GLU A 18 0.874 9.614 -2.353 1.00 0.00 C ATOM 195 OE1 GLU A 18 0.223 9.876 -3.386 1.00 0.00 O ATOM 196 OE2 GLU A 18 1.392 10.489 -1.629 1.00 0.00 O ATOM 0 H GLU A 18 3.995 6.696 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 18 1.353 5.454 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.708 7.915 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.205 7.253 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.058 7.710 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.557 8.103 -1.000 1.00 0.00 H new ATOM 203 N ILE A 19 1.966 4.248 -4.195 1.00 0.00 N ATOM 204 CA ILE A 19 2.374 3.406 -5.313 1.00 0.00 C ATOM 205 C ILE A 19 1.344 3.445 -6.436 1.00 0.00 C ATOM 206 O ILE A 19 0.198 3.844 -6.228 1.00 0.00 O ATOM 207 CB ILE A 19 2.580 1.945 -4.871 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.683 1.620 -3.674 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.041 1.695 -4.528 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.296 1.991 -2.342 1.00 0.00 C ATOM 0 H ILE A 19 1.017 4.078 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 19 3.321 3.804 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 19 2.304 1.289 -5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.735 2.145 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.459 0.553 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.170 0.658 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.659 1.891 -5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.343 2.357 -3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.606 1.733 -1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.230 1.446 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.495 3.062 -2.319 1.00 0.00 H new ATOM 222 N MET A 20 1.759 3.027 -7.627 1.00 0.00 N ATOM 223 CA MET A 20 0.871 3.012 -8.784 1.00 0.00 C ATOM 224 C MET A 20 0.234 1.638 -8.962 1.00 0.00 C ATOM 225 O MET A 20 0.921 0.658 -9.252 1.00 0.00 O ATOM 226 CB MET A 20 1.640 3.399 -10.049 1.00 0.00 C ATOM 227 CG MET A 20 2.651 4.512 -9.829 1.00 0.00 C ATOM 228 SD MET A 20 1.877 6.072 -9.365 1.00 0.00 S ATOM 229 CE MET A 20 0.849 6.380 -10.799 1.00 0.00 C ATOM 0 H MET A 20 2.704 2.694 -7.817 1.00 0.00 H new ATOM 0 HA MET A 20 0.079 3.741 -8.612 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.158 2.520 -10.433 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.930 3.711 -10.815 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.351 4.212 -9.049 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.231 4.656 -10.740 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.836 7.448 -11.015 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.251 5.841 -11.657 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.167 6.038 -10.599 1.00 0.00 H new ATOM 239 N ILE A 21 -1.081 1.573 -8.786 1.00 0.00 N ATOM 240 CA ILE A 21 -1.810 0.319 -8.928 1.00 0.00 C ATOM 241 C ILE A 21 -2.666 0.320 -10.190 1.00 0.00 C ATOM 242 O ILE A 21 -3.458 1.231 -10.432 1.00 0.00 O ATOM 243 CB ILE A 21 -2.713 0.051 -7.709 1.00 0.00 C ATOM 244 CG1 ILE A 21 -2.009 0.482 -6.421 1.00 0.00 C ATOM 245 CG2 ILE A 21 -3.092 -1.421 -7.645 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.767 -0.325 -6.112 1.00 0.00 C ATOM 0 H ILE A 21 -1.664 2.375 -8.545 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.064 -0.473 -8.998 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.626 0.637 -7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.738 1.535 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.707 0.393 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.730 -1.595 -6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.629 -1.698 -8.552 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.189 -2.026 -7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.320 0.035 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.034 -1.376 -6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.051 -0.217 -6.926 1.00 0.00 H new ATOM 258 N PRO A 22 -2.506 -0.726 -11.015 1.00 0.00 N ATOM 259 CA PRO A 22 -3.257 -0.870 -12.265 1.00 0.00 C ATOM 260 C PRO A 22 -4.735 -1.161 -12.023 1.00 0.00 C ATOM 261 O PRO A 22 -5.086 -2.176 -11.422 1.00 0.00 O ATOM 262 CB PRO A 22 -2.582 -2.061 -12.949 1.00 0.00 C ATOM 263 CG PRO A 22 -1.986 -2.850 -11.835 1.00 0.00 C ATOM 264 CD PRO A 22 -1.580 -1.848 -10.790 1.00 0.00 C ATOM 0 HA PRO A 22 -3.241 0.044 -12.858 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.302 -2.654 -13.513 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.818 -1.732 -13.654 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.706 -3.563 -11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.126 -3.425 -12.180 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.679 -2.255 -9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.541 -1.541 -10.909 1.00 0.00 H new ATOM 272 N ALA A 23 -5.595 -0.265 -12.496 1.00 0.00 N ATOM 273 CA ALA A 23 -7.034 -0.428 -12.333 1.00 0.00 C ATOM 274 C ALA A 23 -7.440 -1.891 -12.472 1.00 0.00 C ATOM 275 O ALA A 23 -8.436 -2.326 -11.893 1.00 0.00 O ATOM 276 CB ALA A 23 -7.780 0.427 -13.347 1.00 0.00 C ATOM 0 H ALA A 23 -5.320 0.581 -12.995 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.301 -0.098 -11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.854 0.296 -13.214 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.522 1.476 -13.199 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.500 0.123 -14.356 1.00 0.00 H new ATOM 282 N SER A 24 -6.663 -2.646 -13.242 1.00 0.00 N ATOM 283 CA SER A 24 -6.945 -4.060 -13.460 1.00 0.00 C ATOM 284 C SER A 24 -6.766 -4.855 -12.170 1.00 0.00 C ATOM 285 O SER A 24 -7.623 -5.657 -11.797 1.00 0.00 O ATOM 286 CB SER A 24 -6.030 -4.622 -14.549 1.00 0.00 C ATOM 287 OG SER A 24 -6.569 -4.390 -15.839 1.00 0.00 O ATOM 0 H SER A 24 -5.833 -2.302 -13.725 1.00 0.00 H new ATOM 0 HA SER A 24 -7.982 -4.153 -13.783 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.045 -4.161 -14.475 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.893 -5.692 -14.396 1.00 0.00 H new ATOM 0 HG SER A 24 -5.964 -4.757 -16.517 1.00 0.00 H new ATOM 293 N LYS A 25 -5.647 -4.626 -11.492 1.00 0.00 N ATOM 294 CA LYS A 25 -5.354 -5.317 -10.242 1.00 0.00 C ATOM 295 C LYS A 25 -5.989 -4.596 -9.058 1.00 0.00 C ATOM 296 O LYS A 25 -6.020 -5.118 -7.945 1.00 0.00 O ATOM 297 CB LYS A 25 -3.841 -5.423 -10.037 1.00 0.00 C ATOM 298 CG LYS A 25 -3.091 -5.898 -11.269 1.00 0.00 C ATOM 299 CD LYS A 25 -3.332 -7.375 -11.534 1.00 0.00 C ATOM 300 CE LYS A 25 -3.095 -7.725 -12.995 1.00 0.00 C ATOM 301 NZ LYS A 25 -3.279 -9.180 -13.253 1.00 0.00 N ATOM 0 H LYS A 25 -4.927 -3.966 -11.787 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.778 -6.319 -10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.454 -4.448 -9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.642 -6.109 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.406 -5.316 -12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.024 -5.721 -11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.672 -7.971 -10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.354 -7.633 -11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.782 -7.155 -13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.085 -7.430 -13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.109 -9.378 -14.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.606 -9.723 -12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.251 -9.456 -13.005 1.00 0.00 H new ATOM 315 N ALA A 26 -6.496 -3.392 -9.307 1.00 0.00 N ATOM 316 CA ALA A 26 -7.134 -2.601 -8.263 1.00 0.00 C ATOM 317 C ALA A 26 -8.340 -3.330 -7.681 1.00 0.00 C ATOM 318 O ALA A 26 -8.784 -3.030 -6.573 1.00 0.00 O ATOM 319 CB ALA A 26 -7.549 -1.243 -8.809 1.00 0.00 C ATOM 0 H ALA A 26 -6.477 -2.944 -10.223 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.411 -2.453 -7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.024 -0.663 -8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.669 -0.711 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.252 -1.381 -9.631 1.00 0.00 H new ATOM 325 N GLY A 27 -8.867 -4.290 -8.435 1.00 0.00 N ATOM 326 CA GLY A 27 -10.017 -5.047 -7.977 1.00 0.00 C ATOM 327 C GLY A 27 -9.632 -6.394 -7.398 1.00 0.00 C ATOM 328 O GLY A 27 -10.491 -7.149 -6.940 1.00 0.00 O ATOM 0 H GLY A 27 -8.518 -4.557 -9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.551 -4.470 -7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.705 -5.196 -8.809 1.00 0.00 H new ATOM 332 N LEU A 28 -8.339 -6.697 -7.418 1.00 0.00 N ATOM 333 CA LEU A 28 -7.842 -7.963 -6.892 1.00 0.00 C ATOM 334 C LEU A 28 -7.270 -7.783 -5.490 1.00 0.00 C ATOM 335 O LEU A 28 -7.415 -8.655 -4.632 1.00 0.00 O ATOM 336 CB LEU A 28 -6.771 -8.539 -7.821 1.00 0.00 C ATOM 337 CG LEU A 28 -7.282 -9.221 -9.091 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.535 -8.194 -10.184 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.291 -10.274 -9.565 1.00 0.00 C ATOM 0 H LEU A 28 -7.616 -6.083 -7.793 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.679 -8.659 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.098 -7.732 -8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.179 -9.261 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.226 -9.715 -8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.898 -8.698 -11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.282 -7.477 -9.843 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.607 -7.670 -10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.670 -10.749 -10.470 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.332 -9.801 -9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.160 -11.026 -8.787 1.00 0.00 H new ATOM 351 N VAL A 29 -6.621 -6.646 -5.262 1.00 0.00 N ATOM 352 CA VAL A 29 -6.031 -6.350 -3.962 1.00 0.00 C ATOM 353 C VAL A 29 -7.061 -5.746 -3.015 1.00 0.00 C ATOM 354 O VAL A 29 -6.954 -5.882 -1.796 1.00 0.00 O ATOM 355 CB VAL A 29 -4.841 -5.381 -4.094 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.245 -4.142 -4.878 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.308 -5.002 -2.720 1.00 0.00 C ATOM 0 H VAL A 29 -6.490 -5.915 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.677 -7.296 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.044 -5.884 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.391 -3.469 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.575 -4.434 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.059 -3.634 -4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.468 -4.317 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.097 -4.517 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.977 -5.900 -2.198 1.00 0.00 H new ATOM 367 N ILE A 30 -8.060 -5.079 -3.583 1.00 0.00 N ATOM 368 CA ILE A 30 -9.111 -4.455 -2.789 1.00 0.00 C ATOM 369 C ILE A 30 -10.217 -5.452 -2.461 1.00 0.00 C ATOM 370 O ILE A 30 -10.506 -5.712 -1.294 1.00 0.00 O ATOM 371 CB ILE A 30 -9.726 -3.246 -3.519 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.644 -2.213 -3.841 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.828 -2.623 -2.676 1.00 0.00 C ATOM 374 CD1 ILE A 30 -9.186 -0.946 -4.466 1.00 0.00 C ATOM 0 H ILE A 30 -8.164 -4.957 -4.590 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.647 -4.113 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.164 -3.590 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.112 -1.958 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.916 -2.660 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.253 -1.770 -3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.608 -3.362 -2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.414 -2.290 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.364 -0.259 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.693 -1.189 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.892 -0.476 -3.782 1.00 0.00 H new ATOM 386 N GLY A 31 -10.831 -6.011 -3.500 1.00 0.00 N ATOM 387 CA GLY A 31 -11.897 -6.975 -3.301 1.00 0.00 C ATOM 388 C GLY A 31 -13.273 -6.356 -3.446 1.00 0.00 C ATOM 389 O GLY A 31 -13.428 -5.306 -4.069 1.00 0.00 O ATOM 0 H GLY A 31 -10.609 -5.813 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.789 -7.786 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.803 -7.416 -2.309 1.00 0.00 H new ATOM 393 N LYS A 32 -14.277 -7.009 -2.871 1.00 0.00 N ATOM 394 CA LYS A 32 -15.648 -6.518 -2.939 1.00 0.00 C ATOM 395 C LYS A 32 -15.877 -5.402 -1.925 1.00 0.00 C ATOM 396 O LYS A 32 -16.492 -5.615 -0.880 1.00 0.00 O ATOM 397 CB LYS A 32 -16.634 -7.661 -2.686 1.00 0.00 C ATOM 398 CG LYS A 32 -18.030 -7.390 -3.222 1.00 0.00 C ATOM 399 CD LYS A 32 -19.057 -8.319 -2.598 1.00 0.00 C ATOM 400 CE LYS A 32 -20.438 -7.683 -2.566 1.00 0.00 C ATOM 401 NZ LYS A 32 -21.444 -8.573 -1.922 1.00 0.00 N ATOM 0 H LYS A 32 -14.167 -7.880 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.815 -6.117 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.248 -8.571 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -16.695 -7.846 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -18.304 -6.355 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -18.036 -7.515 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.097 -9.250 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.749 -8.574 -1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -20.390 -6.738 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -20.755 -7.452 -3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -22.372 -8.104 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -21.509 -9.465 -2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -21.155 -8.773 -0.943 1.00 0.00 H new ATOM 415 N GLY A 33 -15.380 -4.210 -2.241 1.00 0.00 N ATOM 416 CA GLY A 33 -15.542 -3.078 -1.347 1.00 0.00 C ATOM 417 C GLY A 33 -14.266 -2.740 -0.602 1.00 0.00 C ATOM 418 O GLY A 33 -14.034 -1.585 -0.246 1.00 0.00 O ATOM 0 H GLY A 33 -14.868 -4.008 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.865 -2.209 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.332 -3.297 -0.628 1.00 0.00 H new ATOM 422 N GLY A 34 -13.436 -3.751 -0.364 1.00 0.00 N ATOM 423 CA GLY A 34 -12.188 -3.535 0.345 1.00 0.00 C ATOM 424 C GLY A 34 -12.030 -4.458 1.536 1.00 0.00 C ATOM 425 O GLY A 34 -11.741 -4.007 2.644 1.00 0.00 O ATOM 0 H GLY A 34 -13.605 -4.715 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.354 -3.685 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.140 -2.500 0.683 1.00 0.00 H new ATOM 429 N GLU A 35 -12.223 -5.754 1.309 1.00 0.00 N ATOM 430 CA GLU A 35 -12.103 -6.741 2.375 1.00 0.00 C ATOM 431 C GLU A 35 -10.692 -7.321 2.423 1.00 0.00 C ATOM 432 O GLU A 35 -10.110 -7.484 3.496 1.00 0.00 O ATOM 433 CB GLU A 35 -13.122 -7.865 2.176 1.00 0.00 C ATOM 434 CG GLU A 35 -13.140 -8.428 0.765 1.00 0.00 C ATOM 435 CD GLU A 35 -14.027 -9.651 0.636 1.00 0.00 C ATOM 436 OE1 GLU A 35 -15.232 -9.546 0.946 1.00 0.00 O ATOM 437 OE2 GLU A 35 -13.516 -10.714 0.224 1.00 0.00 O ATOM 0 H GLU A 35 -12.463 -6.144 0.397 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.304 -6.241 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.903 -8.671 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.116 -7.491 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.486 -7.658 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.124 -8.688 0.469 1.00 0.00 H new ATOM 444 N THR A 36 -10.147 -7.634 1.251 1.00 0.00 N ATOM 445 CA THR A 36 -8.806 -8.197 1.158 1.00 0.00 C ATOM 446 C THR A 36 -7.757 -7.202 1.639 1.00 0.00 C ATOM 447 O THR A 36 -6.995 -7.488 2.564 1.00 0.00 O ATOM 448 CB THR A 36 -8.473 -8.618 -0.286 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.461 -9.536 -0.769 1.00 0.00 O ATOM 450 CG2 THR A 36 -7.097 -9.263 -0.358 1.00 0.00 C ATOM 0 H THR A 36 -10.614 -7.507 0.353 1.00 0.00 H new ATOM 0 HA THR A 36 -8.788 -9.078 1.800 1.00 0.00 H new ATOM 0 HB THR A 36 -8.471 -7.724 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.243 -9.797 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.884 -9.552 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.344 -8.553 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.076 -10.147 0.279 1.00 0.00 H new ATOM 458 N ILE A 37 -7.722 -6.033 1.008 1.00 0.00 N ATOM 459 CA ILE A 37 -6.767 -4.996 1.375 1.00 0.00 C ATOM 460 C ILE A 37 -6.843 -4.680 2.864 1.00 0.00 C ATOM 461 O ILE A 37 -5.832 -4.377 3.499 1.00 0.00 O ATOM 462 CB ILE A 37 -7.006 -3.702 0.574 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.125 -2.573 1.113 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.475 -3.308 0.631 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.196 -1.306 0.289 1.00 0.00 C ATOM 0 H ILE A 37 -8.344 -5.781 0.240 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.776 -5.382 1.139 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.738 -3.881 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.423 -2.348 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.091 -2.916 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.628 -2.392 0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.083 -4.107 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.767 -3.143 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.547 -0.549 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.870 -1.516 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.222 -0.939 0.273 1.00 0.00 H new ATOM 477 N LYS A 38 -8.048 -4.754 3.419 1.00 0.00 N ATOM 478 CA LYS A 38 -8.258 -4.480 4.835 1.00 0.00 C ATOM 479 C LYS A 38 -7.449 -5.441 5.701 1.00 0.00 C ATOM 480 O LYS A 38 -6.934 -5.059 6.752 1.00 0.00 O ATOM 481 CB LYS A 38 -9.744 -4.590 5.183 1.00 0.00 C ATOM 482 CG LYS A 38 -10.166 -3.700 6.338 1.00 0.00 C ATOM 483 CD LYS A 38 -11.468 -4.174 6.962 1.00 0.00 C ATOM 484 CE LYS A 38 -12.673 -3.529 6.295 1.00 0.00 C ATOM 485 NZ LYS A 38 -13.110 -4.285 5.088 1.00 0.00 N ATOM 0 H LYS A 38 -8.895 -5.002 2.908 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.919 -3.464 5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.334 -4.334 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.975 -5.626 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.382 -3.689 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.283 -2.675 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.540 -5.258 6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.470 -3.938 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.496 -3.475 7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.427 -2.505 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.083 -4.013 4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.477 -4.066 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.076 -5.305 5.286 1.00 0.00 H new ATOM 499 N GLN A 39 -7.342 -6.687 5.252 1.00 0.00 N ATOM 500 CA GLN A 39 -6.595 -7.701 5.987 1.00 0.00 C ATOM 501 C GLN A 39 -5.093 -7.489 5.833 1.00 0.00 C ATOM 502 O GLN A 39 -4.302 -7.952 6.657 1.00 0.00 O ATOM 503 CB GLN A 39 -6.977 -9.100 5.498 1.00 0.00 C ATOM 504 CG GLN A 39 -8.220 -9.660 6.169 1.00 0.00 C ATOM 505 CD GLN A 39 -8.225 -11.175 6.216 1.00 0.00 C ATOM 506 OE1 GLN A 39 -7.520 -11.834 5.451 1.00 0.00 O ATOM 507 NE2 GLN A 39 -9.023 -11.737 7.117 1.00 0.00 N ATOM 0 H GLN A 39 -7.762 -7.019 4.384 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.850 -7.610 7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.139 -9.068 4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.142 -9.778 5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.288 -9.269 7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.104 -9.314 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.590 -11.153 7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.069 -12.753 7.195 1.00 0.00 H new ATOM 516 N LEU A 40 -4.705 -6.787 4.774 1.00 0.00 N ATOM 517 CA LEU A 40 -3.296 -6.513 4.512 1.00 0.00 C ATOM 518 C LEU A 40 -2.761 -5.450 5.467 1.00 0.00 C ATOM 519 O LEU A 40 -1.552 -5.336 5.669 1.00 0.00 O ATOM 520 CB LEU A 40 -3.105 -6.056 3.065 1.00 0.00 C ATOM 521 CG LEU A 40 -3.113 -7.160 2.007 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.203 -6.561 0.612 1.00 0.00 C ATOM 523 CD2 LEU A 40 -1.873 -8.032 2.136 1.00 0.00 C ATOM 0 H LEU A 40 -5.346 -6.397 4.083 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.737 -7.435 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.893 -5.343 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.158 -5.521 2.996 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.991 -7.786 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.207 -7.361 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.121 -5.980 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.345 -5.912 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.896 -8.812 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.982 -7.419 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.852 -8.490 3.125 1.00 0.00 H new ATOM 535 N GLN A 41 -3.670 -4.677 6.053 1.00 0.00 N ATOM 536 CA GLN A 41 -3.289 -3.625 6.988 1.00 0.00 C ATOM 537 C GLN A 41 -2.798 -4.218 8.304 1.00 0.00 C ATOM 538 O GLN A 41 -1.956 -3.632 8.984 1.00 0.00 O ATOM 539 CB GLN A 41 -4.471 -2.689 7.246 1.00 0.00 C ATOM 540 CG GLN A 41 -4.870 -1.865 6.032 1.00 0.00 C ATOM 541 CD GLN A 41 -5.953 -0.852 6.346 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.085 -0.398 7.483 1.00 0.00 O ATOM 543 NE2 GLN A 41 -6.737 -0.491 5.336 1.00 0.00 N ATOM 0 H GLN A 41 -4.675 -4.759 5.897 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.475 -3.055 6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.327 -3.280 7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.219 -2.016 8.065 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.993 -1.346 5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.219 -2.532 5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.592 -0.892 4.409 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.483 0.188 5.487 1.00 0.00 H new ATOM 552 N GLU A 42 -3.331 -5.384 8.657 1.00 0.00 N ATOM 553 CA GLU A 42 -2.947 -6.055 9.894 1.00 0.00 C ATOM 554 C GLU A 42 -1.672 -6.871 9.697 1.00 0.00 C ATOM 555 O GLU A 42 -0.784 -6.869 10.550 1.00 0.00 O ATOM 556 CB GLU A 42 -4.078 -6.965 10.379 1.00 0.00 C ATOM 557 CG GLU A 42 -5.363 -6.220 10.698 1.00 0.00 C ATOM 558 CD GLU A 42 -6.441 -7.129 11.256 1.00 0.00 C ATOM 559 OE1 GLU A 42 -6.198 -7.767 12.301 1.00 0.00 O ATOM 560 OE2 GLU A 42 -7.528 -7.203 10.645 1.00 0.00 O ATOM 0 H GLU A 42 -4.029 -5.883 8.105 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.756 -5.291 10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.283 -7.715 9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.747 -7.499 11.270 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.151 -5.429 11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.733 -5.737 9.794 1.00 0.00 H new ATOM 567 N ARG A 43 -1.591 -7.567 8.568 1.00 0.00 N ATOM 568 CA ARG A 43 -0.427 -8.389 8.260 1.00 0.00 C ATOM 569 C ARG A 43 0.864 -7.597 8.450 1.00 0.00 C ATOM 570 O ARG A 43 1.854 -8.119 8.960 1.00 0.00 O ATOM 571 CB ARG A 43 -0.510 -8.911 6.824 1.00 0.00 C ATOM 572 CG ARG A 43 -1.476 -10.072 6.653 1.00 0.00 C ATOM 573 CD ARG A 43 -0.804 -11.403 6.950 1.00 0.00 C ATOM 574 NE ARG A 43 -1.709 -12.531 6.747 1.00 0.00 N ATOM 575 CZ ARG A 43 -2.029 -13.010 5.550 1.00 0.00 C ATOM 576 NH1 ARG A 43 -1.519 -12.462 4.455 1.00 0.00 N ATOM 577 NH2 ARG A 43 -2.860 -14.039 5.446 1.00 0.00 N ATOM 0 H ARG A 43 -2.317 -7.578 7.852 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.419 -9.235 8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.815 -8.096 6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.483 -9.225 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.330 -9.938 7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.863 -10.078 5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.069 -11.519 6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.446 -11.406 7.979 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.118 -12.975 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.880 -11.671 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.766 -12.832 3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.254 -14.463 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.105 -14.406 4.526 1.00 0.00 H new ATOM 591 N ALA A 44 0.844 -6.334 8.036 1.00 0.00 N ATOM 592 CA ALA A 44 2.011 -5.470 8.163 1.00 0.00 C ATOM 593 C ALA A 44 1.803 -4.423 9.252 1.00 0.00 C ATOM 594 O ALA A 44 2.762 -3.937 9.850 1.00 0.00 O ATOM 595 CB ALA A 44 2.316 -4.797 6.833 1.00 0.00 C ATOM 0 H ALA A 44 0.032 -5.887 7.610 1.00 0.00 H new ATOM 0 HA ALA A 44 2.862 -6.089 8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.190 -4.155 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.517 -5.557 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.460 -4.196 6.525 1.00 0.00 H new ATOM 601 N GLY A 45 0.544 -4.080 9.505 1.00 0.00 N ATOM 602 CA GLY A 45 0.234 -3.092 10.522 1.00 0.00 C ATOM 603 C GLY A 45 0.251 -1.677 9.979 1.00 0.00 C ATOM 604 O GLY A 45 0.818 -0.775 10.595 1.00 0.00 O ATOM 0 H GLY A 45 -0.267 -4.469 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.749 -3.305 10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.954 -3.174 11.336 1.00 0.00 H new ATOM 608 N VAL A 46 -0.371 -1.481 8.820 1.00 0.00 N ATOM 609 CA VAL A 46 -0.425 -0.166 8.194 1.00 0.00 C ATOM 610 C VAL A 46 -1.781 0.077 7.542 1.00 0.00 C ATOM 611 O VAL A 46 -2.498 -0.865 7.205 1.00 0.00 O ATOM 612 CB VAL A 46 0.680 -0.004 7.133 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.052 0.012 7.788 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.588 -1.113 6.096 1.00 0.00 C ATOM 0 H VAL A 46 -0.844 -2.217 8.296 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.269 0.568 8.985 1.00 0.00 H new ATOM 0 HB VAL A 46 0.536 0.950 6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.819 0.127 7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.111 0.845 8.489 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.211 -0.924 8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.376 -0.983 5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.706 -2.080 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.384 -1.072 5.604 1.00 0.00 H new ATOM 624 N LYS A 47 -2.127 1.348 7.366 1.00 0.00 N ATOM 625 CA LYS A 47 -3.397 1.717 6.752 1.00 0.00 C ATOM 626 C LYS A 47 -3.248 1.865 5.241 1.00 0.00 C ATOM 627 O LYS A 47 -2.515 2.729 4.762 1.00 0.00 O ATOM 628 CB LYS A 47 -3.917 3.024 7.354 1.00 0.00 C ATOM 629 CG LYS A 47 -5.433 3.129 7.364 1.00 0.00 C ATOM 630 CD LYS A 47 -5.892 4.574 7.265 1.00 0.00 C ATOM 631 CE LYS A 47 -5.908 5.248 8.628 1.00 0.00 C ATOM 632 NZ LYS A 47 -6.987 4.708 9.502 1.00 0.00 N ATOM 0 H LYS A 47 -1.545 2.140 7.640 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.114 0.921 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.548 3.116 8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.507 3.862 6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.844 2.558 6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.824 2.684 8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.230 5.122 6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.890 4.611 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.943 5.107 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.047 6.322 8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.192 5.389 10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.846 4.551 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.677 3.807 9.919 1.00 0.00 H new ATOM 646 N MET A 48 -3.950 1.017 4.496 1.00 0.00 N ATOM 647 CA MET A 48 -3.897 1.056 3.039 1.00 0.00 C ATOM 648 C MET A 48 -5.111 1.784 2.470 1.00 0.00 C ATOM 649 O MET A 48 -6.242 1.310 2.586 1.00 0.00 O ATOM 650 CB MET A 48 -3.826 -0.363 2.472 1.00 0.00 C ATOM 651 CG MET A 48 -2.478 -1.034 2.678 1.00 0.00 C ATOM 652 SD MET A 48 -2.522 -2.803 2.334 1.00 0.00 S ATOM 653 CE MET A 48 -0.935 -3.315 2.988 1.00 0.00 C ATOM 0 H MET A 48 -4.562 0.295 4.877 1.00 0.00 H new ATOM 0 HA MET A 48 -2.999 1.601 2.747 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.600 -0.971 2.939 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.047 -0.330 1.405 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.739 -0.561 2.032 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.151 -0.876 3.706 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.546 -4.141 2.393 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.238 -2.478 2.947 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.055 -3.637 4.022 1.00 0.00 H new ATOM 663 N VAL A 49 -4.870 2.937 1.856 1.00 0.00 N ATOM 664 CA VAL A 49 -5.944 3.730 1.268 1.00 0.00 C ATOM 665 C VAL A 49 -5.717 3.943 -0.224 1.00 0.00 C ATOM 666 O VAL A 49 -4.677 4.455 -0.637 1.00 0.00 O ATOM 667 CB VAL A 49 -6.071 5.101 1.958 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.146 5.940 1.284 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.370 4.926 3.439 1.00 0.00 C ATOM 0 H VAL A 49 -3.940 3.344 1.752 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.868 3.170 1.415 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.121 5.626 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.222 6.905 1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.884 6.094 0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.104 5.423 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.456 5.905 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.306 4.381 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.562 4.366 3.910 1.00 0.00 H new ATOM 679 N MET A 50 -6.697 3.546 -1.029 1.00 0.00 N ATOM 680 CA MET A 50 -6.604 3.695 -2.476 1.00 0.00 C ATOM 681 C MET A 50 -7.089 5.074 -2.913 1.00 0.00 C ATOM 682 O MET A 50 -8.252 5.426 -2.711 1.00 0.00 O ATOM 683 CB MET A 50 -7.423 2.609 -3.176 1.00 0.00 C ATOM 684 CG MET A 50 -6.710 1.269 -3.260 1.00 0.00 C ATOM 685 SD MET A 50 -5.695 1.115 -4.742 1.00 0.00 S ATOM 686 CE MET A 50 -5.437 -0.657 -4.793 1.00 0.00 C ATOM 0 H MET A 50 -7.564 3.119 -0.704 1.00 0.00 H new ATOM 0 HA MET A 50 -5.557 3.590 -2.760 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.366 2.477 -2.645 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.669 2.944 -4.184 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.082 1.140 -2.379 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.448 0.467 -3.245 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.379 -0.875 -4.648 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.017 -1.132 -4.002 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.758 -1.044 -5.760 1.00 0.00 H new ATOM 696 N ILE A 51 -6.192 5.850 -3.510 1.00 0.00 N ATOM 697 CA ILE A 51 -6.530 7.190 -3.976 1.00 0.00 C ATOM 698 C ILE A 51 -6.960 7.172 -5.438 1.00 0.00 C ATOM 699 O ILE A 51 -6.226 6.698 -6.305 1.00 0.00 O ATOM 700 CB ILE A 51 -5.343 8.158 -3.813 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.690 7.974 -2.442 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.804 9.596 -3.998 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.344 8.788 -1.347 1.00 0.00 C ATOM 0 H ILE A 51 -5.225 5.575 -3.683 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.360 7.538 -3.361 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.602 7.933 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.726 6.919 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.638 8.250 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.954 10.269 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.227 9.717 -4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.562 9.834 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.829 8.608 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.285 9.847 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.390 8.496 -1.252 1.00 0.00 H new ATOM 827 N ASP A 61 -3.777 4.191 -13.986 1.00 0.00 N ATOM 828 CA ASP A 61 -3.263 3.603 -12.754 1.00 0.00 C ATOM 829 C ASP A 61 -3.723 4.400 -11.538 1.00 0.00 C ATOM 830 O ASP A 61 -3.555 5.619 -11.481 1.00 0.00 O ATOM 831 CB ASP A 61 -1.735 3.543 -12.792 1.00 0.00 C ATOM 832 CG ASP A 61 -1.115 4.848 -13.250 1.00 0.00 C ATOM 833 OD1 ASP A 61 -1.744 5.907 -13.043 1.00 0.00 O ATOM 834 OD2 ASP A 61 -0.002 4.811 -13.815 1.00 0.00 O ATOM 0 HA ASP A 61 -3.657 2.590 -12.672 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.359 3.294 -11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.422 2.741 -13.461 1.00 0.00 H new ATOM 839 N LYS A 62 -4.304 3.705 -10.566 1.00 0.00 N ATOM 840 CA LYS A 62 -4.789 4.346 -9.350 1.00 0.00 C ATOM 841 C LYS A 62 -3.708 4.360 -8.274 1.00 0.00 C ATOM 842 O LYS A 62 -3.213 3.317 -7.844 1.00 0.00 O ATOM 843 CB LYS A 62 -6.033 3.624 -8.829 1.00 0.00 C ATOM 844 CG LYS A 62 -7.013 3.235 -9.922 1.00 0.00 C ATOM 845 CD LYS A 62 -7.747 4.448 -10.469 1.00 0.00 C ATOM 846 CE LYS A 62 -7.017 5.051 -11.659 1.00 0.00 C ATOM 847 NZ LYS A 62 -7.506 6.422 -11.973 1.00 0.00 N ATOM 0 H LYS A 62 -4.450 2.696 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.050 5.376 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.724 2.726 -8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.541 4.266 -8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.479 2.736 -10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.734 2.519 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.755 4.161 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.848 5.198 -9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.948 5.086 -11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.150 4.409 -12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.984 6.798 -12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.521 6.386 -12.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.356 7.041 -11.151 1.00 0.00 H new ATOM 861 N PRO A 63 -3.331 5.567 -7.827 1.00 0.00 N ATOM 862 CA PRO A 63 -2.306 5.745 -6.794 1.00 0.00 C ATOM 863 C PRO A 63 -2.778 5.275 -5.422 1.00 0.00 C ATOM 864 O PRO A 63 -3.710 5.841 -4.848 1.00 0.00 O ATOM 865 CB PRO A 63 -2.067 7.256 -6.789 1.00 0.00 C ATOM 866 CG PRO A 63 -3.336 7.843 -7.303 1.00 0.00 C ATOM 867 CD PRO A 63 -3.878 6.852 -8.295 1.00 0.00 C ATOM 0 HA PRO A 63 -1.411 5.159 -7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.842 7.618 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.222 7.525 -7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.045 8.011 -6.492 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.156 8.809 -7.775 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.968 6.846 -8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.554 7.081 -9.310 1.00 0.00 H new ATOM 875 N LEU A 64 -2.131 4.239 -4.902 1.00 0.00 N ATOM 876 CA LEU A 64 -2.484 3.693 -3.596 1.00 0.00 C ATOM 877 C LEU A 64 -1.595 4.277 -2.503 1.00 0.00 C ATOM 878 O LEU A 64 -0.383 4.059 -2.493 1.00 0.00 O ATOM 879 CB LEU A 64 -2.362 2.168 -3.608 1.00 0.00 C ATOM 880 CG LEU A 64 -2.225 1.495 -2.242 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.481 1.710 -1.412 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.940 0.009 -2.407 1.00 0.00 C ATOM 0 H LEU A 64 -1.359 3.759 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.517 3.967 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.240 1.757 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.496 1.897 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.386 1.950 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.365 1.224 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.642 2.778 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.338 1.282 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.845 -0.455 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.759 -0.460 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.011 -0.124 -2.962 1.00 0.00 H new ATOM 894 N ARG A 65 -2.205 5.018 -1.584 1.00 0.00 N ATOM 895 CA ARG A 65 -1.469 5.632 -0.486 1.00 0.00 C ATOM 896 C ARG A 65 -1.468 4.727 0.742 1.00 0.00 C ATOM 897 O ARG A 65 -2.525 4.318 1.224 1.00 0.00 O ATOM 898 CB ARG A 65 -2.078 6.990 -0.132 1.00 0.00 C ATOM 899 CG ARG A 65 -1.146 7.886 0.667 1.00 0.00 C ATOM 900 CD ARG A 65 -1.913 8.972 1.405 1.00 0.00 C ATOM 901 NE ARG A 65 -1.066 10.115 1.733 1.00 0.00 N ATOM 902 CZ ARG A 65 -1.476 11.150 2.458 1.00 0.00 C ATOM 903 NH1 ARG A 65 -2.715 11.185 2.928 1.00 0.00 N ATOM 904 NH2 ARG A 65 -0.645 12.153 2.714 1.00 0.00 N ATOM 0 H ARG A 65 -3.207 5.208 -1.578 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.438 5.777 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.361 7.502 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.993 6.831 0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.586 7.284 1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.418 8.344 -0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.750 9.305 0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.335 8.559 2.321 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.107 10.119 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.356 10.416 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.027 11.981 3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.309 12.129 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.961 12.947 3.271 1.00 0.00 H new ATOM 918 N ILE A 66 -0.277 4.418 1.243 1.00 0.00 N ATOM 919 CA ILE A 66 -0.140 3.562 2.415 1.00 0.00 C ATOM 920 C ILE A 66 0.474 4.325 3.584 1.00 0.00 C ATOM 921 O ILE A 66 1.644 4.707 3.545 1.00 0.00 O ATOM 922 CB ILE A 66 0.728 2.326 2.111 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.135 1.535 0.943 1.00 0.00 C ATOM 924 CG2 ILE A 66 0.848 1.447 3.346 1.00 0.00 C ATOM 925 CD1 ILE A 66 0.892 0.264 0.628 1.00 0.00 C ATOM 0 H ILE A 66 0.607 4.748 0.856 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.144 3.234 2.685 1.00 0.00 H new ATOM 0 HB ILE A 66 1.726 2.661 1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.900 1.284 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.120 2.169 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.464 0.578 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.310 2.015 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.144 1.117 3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.416 -0.245 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.921 0.509 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.885 -0.389 1.501 1.00 0.00 H new ATOM 937 N THR A 67 -0.323 4.542 4.625 1.00 0.00 N ATOM 938 CA THR A 67 0.141 5.258 5.807 1.00 0.00 C ATOM 939 C THR A 67 0.399 4.301 6.964 1.00 0.00 C ATOM 940 O THR A 67 -0.216 3.239 7.053 1.00 0.00 O ATOM 941 CB THR A 67 -0.878 6.323 6.254 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.207 5.895 5.936 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.595 7.659 5.582 1.00 0.00 C ATOM 0 H THR A 67 -1.294 4.232 4.674 1.00 0.00 H new ATOM 0 HA THR A 67 1.074 5.750 5.532 1.00 0.00 H new ATOM 0 HB THR A 67 -0.787 6.450 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.848 6.577 6.225 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.327 8.395 5.913 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.406 7.997 5.851 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.661 7.543 4.500 1.00 0.00 H new ATOM 951 N GLY A 68 1.314 4.683 7.850 1.00 0.00 N ATOM 952 CA GLY A 68 1.637 3.847 8.991 1.00 0.00 C ATOM 953 C GLY A 68 2.992 4.174 9.585 1.00 0.00 C ATOM 954 O GLY A 68 3.203 5.273 10.099 1.00 0.00 O ATOM 0 H GLY A 68 1.837 5.557 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.870 3.969 9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.620 2.800 8.687 1.00 0.00 H new ATOM 958 N ASP A 69 3.912 3.219 9.518 1.00 0.00 N ATOM 959 CA ASP A 69 5.255 3.411 10.054 1.00 0.00 C ATOM 960 C ASP A 69 6.301 3.307 8.949 1.00 0.00 C ATOM 961 O ASP A 69 6.048 2.775 7.868 1.00 0.00 O ATOM 962 CB ASP A 69 5.544 2.379 11.145 1.00 0.00 C ATOM 963 CG ASP A 69 5.179 2.882 12.528 1.00 0.00 C ATOM 964 OD1 ASP A 69 3.970 2.968 12.829 1.00 0.00 O ATOM 965 OD2 ASP A 69 6.103 3.189 13.310 1.00 0.00 O ATOM 0 H ASP A 69 3.753 2.303 9.098 1.00 0.00 H new ATOM 0 HA ASP A 69 5.307 4.410 10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.987 1.466 10.935 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.602 2.118 11.124 1.00 0.00 H new ATOM 970 N PRO A 70 7.506 3.828 9.223 1.00 0.00 N ATOM 971 CA PRO A 70 8.615 3.807 8.265 1.00 0.00 C ATOM 972 C PRO A 70 9.165 2.401 8.045 1.00 0.00 C ATOM 973 O PRO A 70 9.697 2.092 6.979 1.00 0.00 O ATOM 974 CB PRO A 70 9.672 4.696 8.925 1.00 0.00 C ATOM 975 CG PRO A 70 9.372 4.623 10.382 1.00 0.00 C ATOM 976 CD PRO A 70 7.879 4.478 10.491 1.00 0.00 C ATOM 0 HA PRO A 70 8.306 4.150 7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.679 4.340 8.710 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.612 5.721 8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.881 3.777 10.843 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.715 5.520 10.897 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.596 3.872 11.352 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.389 5.445 10.607 1.00 0.00 H new ATOM 984 N TYR A 71 9.032 1.554 9.059 1.00 0.00 N ATOM 985 CA TYR A 71 9.517 0.181 8.977 1.00 0.00 C ATOM 986 C TYR A 71 8.427 -0.751 8.456 1.00 0.00 C ATOM 987 O TYR A 71 8.714 -1.822 7.921 1.00 0.00 O ATOM 988 CB TYR A 71 9.998 -0.295 10.349 1.00 0.00 C ATOM 989 CG TYR A 71 10.468 -1.732 10.361 1.00 0.00 C ATOM 990 CD1 TYR A 71 11.141 -2.272 9.272 1.00 0.00 C ATOM 991 CD2 TYR A 71 10.237 -2.550 11.460 1.00 0.00 C ATOM 992 CE1 TYR A 71 11.572 -3.584 9.278 1.00 0.00 C ATOM 993 CE2 TYR A 71 10.666 -3.863 11.475 1.00 0.00 C ATOM 994 CZ TYR A 71 11.332 -4.376 10.382 1.00 0.00 C ATOM 995 OH TYR A 71 11.760 -5.684 10.392 1.00 0.00 O ATOM 0 H TYR A 71 8.592 1.794 9.948 1.00 0.00 H new ATOM 0 HA TYR A 71 10.354 0.159 8.279 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.813 0.348 10.682 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.187 -0.181 11.069 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.330 -1.655 8.406 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.713 -2.153 12.317 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.094 -3.988 8.423 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.481 -4.485 12.338 1.00 0.00 H new ATOM 0 HH TYR A 71 11.513 -6.103 11.243 1.00 0.00 H new ATOM 1005 N LYS A 72 7.176 -0.335 8.616 1.00 0.00 N ATOM 1006 CA LYS A 72 6.041 -1.130 8.161 1.00 0.00 C ATOM 1007 C LYS A 72 5.612 -0.712 6.758 1.00 0.00 C ATOM 1008 O LYS A 72 5.634 -1.516 5.826 1.00 0.00 O ATOM 1009 CB LYS A 72 4.866 -0.981 9.131 1.00 0.00 C ATOM 1010 CG LYS A 72 5.241 -1.228 10.582 1.00 0.00 C ATOM 1011 CD LYS A 72 4.012 -1.488 11.438 1.00 0.00 C ATOM 1012 CE LYS A 72 4.365 -2.263 12.698 1.00 0.00 C ATOM 1013 NZ LYS A 72 4.724 -1.357 13.825 1.00 0.00 N ATOM 0 H LYS A 72 6.922 0.549 9.058 1.00 0.00 H new ATOM 0 HA LYS A 72 6.350 -2.175 8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.453 0.023 9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.078 -1.678 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.916 -2.081 10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.781 -0.365 10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.550 -0.539 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.276 -2.047 10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.520 -2.887 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.200 -2.933 12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.958 -1.924 14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.546 -0.779 13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.919 -0.735 14.040 1.00 0.00 H new ATOM 1027 N VAL A 73 5.223 0.551 6.615 1.00 0.00 N ATOM 1028 CA VAL A 73 4.791 1.076 5.325 1.00 0.00 C ATOM 1029 C VAL A 73 5.658 0.535 4.194 1.00 0.00 C ATOM 1030 O VAL A 73 5.152 0.154 3.139 1.00 0.00 O ATOM 1031 CB VAL A 73 4.837 2.615 5.302 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.498 3.139 3.915 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.892 3.192 6.345 1.00 0.00 C ATOM 0 H VAL A 73 5.198 1.229 7.376 1.00 0.00 H new ATOM 0 HA VAL A 73 3.762 0.749 5.178 1.00 0.00 H new ATOM 0 HB VAL A 73 5.850 2.934 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.536 4.228 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.219 2.753 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.496 2.811 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.937 4.281 6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.874 2.865 6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.187 2.844 7.335 1.00 0.00 H new ATOM 1043 N GLN A 74 6.967 0.505 4.421 1.00 0.00 N ATOM 1044 CA GLN A 74 7.905 0.011 3.420 1.00 0.00 C ATOM 1045 C GLN A 74 7.677 -1.472 3.146 1.00 0.00 C ATOM 1046 O GLN A 74 7.785 -1.925 2.006 1.00 0.00 O ATOM 1047 CB GLN A 74 9.345 0.241 3.882 1.00 0.00 C ATOM 1048 CG GLN A 74 9.763 1.702 3.866 1.00 0.00 C ATOM 1049 CD GLN A 74 10.081 2.203 2.471 1.00 0.00 C ATOM 1050 OE1 GLN A 74 9.253 2.117 1.564 1.00 0.00 O ATOM 1051 NE2 GLN A 74 11.287 2.730 2.292 1.00 0.00 N ATOM 0 H GLN A 74 7.402 0.817 5.289 1.00 0.00 H new ATOM 0 HA GLN A 74 7.735 0.563 2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.460 -0.150 4.893 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.019 -0.328 3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.965 2.309 4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.638 1.833 4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.942 2.781 3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 74 11.558 3.083 1.374 1.00 0.00 H new ATOM 1060 N GLN A 75 7.362 -2.222 4.197 1.00 0.00 N ATOM 1061 CA GLN A 75 7.120 -3.654 4.068 1.00 0.00 C ATOM 1062 C GLN A 75 5.839 -3.921 3.285 1.00 0.00 C ATOM 1063 O GLN A 75 5.855 -4.611 2.266 1.00 0.00 O ATOM 1064 CB GLN A 75 7.033 -4.304 5.450 1.00 0.00 C ATOM 1065 CG GLN A 75 8.335 -4.246 6.233 1.00 0.00 C ATOM 1066 CD GLN A 75 9.407 -5.145 5.649 1.00 0.00 C ATOM 1067 OE1 GLN A 75 9.114 -6.218 5.121 1.00 0.00 O ATOM 1068 NE2 GLN A 75 10.658 -4.711 5.742 1.00 0.00 N ATOM 0 H GLN A 75 7.268 -1.862 5.147 1.00 0.00 H new ATOM 0 HA GLN A 75 7.956 -4.091 3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.250 -3.810 6.026 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.735 -5.346 5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.698 -3.218 6.251 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.146 -4.536 7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.855 -3.815 6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.422 -5.273 5.368 1.00 0.00 H new ATOM 1077 N ALA A 76 4.730 -3.371 3.769 1.00 0.00 N ATOM 1078 CA ALA A 76 3.440 -3.549 3.114 1.00 0.00 C ATOM 1079 C ALA A 76 3.528 -3.212 1.629 1.00 0.00 C ATOM 1080 O ALA A 76 3.209 -4.038 0.774 1.00 0.00 O ATOM 1081 CB ALA A 76 2.382 -2.691 3.790 1.00 0.00 C ATOM 0 H ALA A 76 4.699 -2.798 4.613 1.00 0.00 H new ATOM 0 HA ALA A 76 3.155 -4.597 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.424 -2.834 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.292 -2.981 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.670 -1.642 3.728 1.00 0.00 H new ATOM 1087 N LYS A 77 3.962 -1.993 1.329 1.00 0.00 N ATOM 1088 CA LYS A 77 4.092 -1.545 -0.053 1.00 0.00 C ATOM 1089 C LYS A 77 4.521 -2.695 -0.959 1.00 0.00 C ATOM 1090 O LYS A 77 4.078 -2.793 -2.103 1.00 0.00 O ATOM 1091 CB LYS A 77 5.106 -0.402 -0.147 1.00 0.00 C ATOM 1092 CG LYS A 77 5.780 -0.297 -1.504 1.00 0.00 C ATOM 1093 CD LYS A 77 6.906 0.723 -1.490 1.00 0.00 C ATOM 1094 CE LYS A 77 8.019 0.337 -2.452 1.00 0.00 C ATOM 1095 NZ LYS A 77 8.531 -1.036 -2.187 1.00 0.00 N ATOM 0 H LYS A 77 4.230 -1.297 2.025 1.00 0.00 H new ATOM 0 HA LYS A 77 3.118 -1.187 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.602 0.539 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.869 -0.541 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.174 -1.272 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.043 -0.016 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.514 1.703 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.309 0.808 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.650 0.395 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.837 1.052 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.547 -1.076 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.383 -1.274 -1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.021 -1.718 -2.784 1.00 0.00 H new ATOM 1109 N GLU A 78 5.383 -3.562 -0.439 1.00 0.00 N ATOM 1110 CA GLU A 78 5.870 -4.705 -1.203 1.00 0.00 C ATOM 1111 C GLU A 78 4.803 -5.792 -1.294 1.00 0.00 C ATOM 1112 O GLU A 78 4.516 -6.305 -2.376 1.00 0.00 O ATOM 1113 CB GLU A 78 7.138 -5.273 -0.561 1.00 0.00 C ATOM 1114 CG GLU A 78 8.338 -4.345 -0.660 1.00 0.00 C ATOM 1115 CD GLU A 78 9.657 -5.086 -0.559 1.00 0.00 C ATOM 1116 OE1 GLU A 78 10.063 -5.714 -1.559 1.00 0.00 O ATOM 1117 OE2 GLU A 78 10.284 -5.036 0.519 1.00 0.00 O ATOM 0 H GLU A 78 5.759 -3.495 0.507 1.00 0.00 H new ATOM 0 HA GLU A 78 6.104 -4.363 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.939 -5.486 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.383 -6.222 -1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.299 -3.807 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.283 -3.599 0.133 1.00 0.00 H new ATOM 1124 N MET A 79 4.221 -6.139 -0.152 1.00 0.00 N ATOM 1125 CA MET A 79 3.185 -7.165 -0.103 1.00 0.00 C ATOM 1126 C MET A 79 2.068 -6.857 -1.095 1.00 0.00 C ATOM 1127 O MET A 79 1.466 -7.765 -1.668 1.00 0.00 O ATOM 1128 CB MET A 79 2.612 -7.274 1.311 1.00 0.00 C ATOM 1129 CG MET A 79 3.488 -8.074 2.262 1.00 0.00 C ATOM 1130 SD MET A 79 2.538 -8.904 3.550 1.00 0.00 S ATOM 1131 CE MET A 79 1.560 -7.542 4.181 1.00 0.00 C ATOM 0 H MET A 79 4.448 -5.725 0.752 1.00 0.00 H new ATOM 0 HA MET A 79 3.638 -8.117 -0.378 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.472 -6.272 1.716 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.627 -7.738 1.260 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.050 -8.816 1.695 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.217 -7.409 2.725 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.481 -7.622 5.265 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.040 -6.598 3.921 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.563 -7.576 3.742 1.00 0.00 H new ATOM 1141 N VAL A 80 1.795 -5.571 -1.291 1.00 0.00 N ATOM 1142 CA VAL A 80 0.750 -5.144 -2.214 1.00 0.00 C ATOM 1143 C VAL A 80 1.239 -5.190 -3.657 1.00 0.00 C ATOM 1144 O VAL A 80 0.547 -5.694 -4.543 1.00 0.00 O ATOM 1145 CB VAL A 80 0.267 -3.717 -1.893 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -0.991 -3.389 -2.683 1.00 0.00 C ATOM 1147 CG2 VAL A 80 0.024 -3.561 -0.400 1.00 0.00 C ATOM 0 H VAL A 80 2.283 -4.807 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.082 -5.838 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 80 1.046 -3.013 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.318 -2.377 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.779 -3.459 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.779 -4.096 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.317 -2.547 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.736 -4.273 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.951 -3.751 0.141 1.00 0.00 H new ATOM 1157 N LEU A 81 2.436 -4.662 -3.888 1.00 0.00 N ATOM 1158 CA LEU A 81 3.020 -4.643 -5.224 1.00 0.00 C ATOM 1159 C LEU A 81 3.034 -6.042 -5.832 1.00 0.00 C ATOM 1160 O LEU A 81 2.695 -6.225 -7.001 1.00 0.00 O ATOM 1161 CB LEU A 81 4.442 -4.083 -5.173 1.00 0.00 C ATOM 1162 CG LEU A 81 4.561 -2.563 -5.047 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.931 -2.177 -4.512 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.303 -1.895 -6.390 1.00 0.00 C ATOM 0 H LEU A 81 3.021 -4.241 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 81 2.405 -3.999 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.961 -4.539 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.966 -4.395 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 81 3.807 -2.216 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.997 -1.092 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.077 -2.625 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.702 -2.536 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.392 -0.814 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.033 -2.248 -7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.299 -2.144 -6.733 1.00 0.00 H new ATOM 1176 N GLU A 82 3.428 -7.027 -5.030 1.00 0.00 N ATOM 1177 CA GLU A 82 3.484 -8.409 -5.489 1.00 0.00 C ATOM 1178 C GLU A 82 2.090 -8.925 -5.835 1.00 0.00 C ATOM 1179 O GLU A 82 1.936 -9.826 -6.661 1.00 0.00 O ATOM 1180 CB GLU A 82 4.118 -9.300 -4.419 1.00 0.00 C ATOM 1181 CG GLU A 82 4.362 -10.727 -4.881 1.00 0.00 C ATOM 1182 CD GLU A 82 4.520 -11.696 -3.725 1.00 0.00 C ATOM 1183 OE1 GLU A 82 5.586 -11.678 -3.077 1.00 0.00 O ATOM 1184 OE2 GLU A 82 3.575 -12.471 -3.469 1.00 0.00 O ATOM 0 H GLU A 82 3.713 -6.893 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 82 4.098 -8.441 -6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.066 -8.861 -4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.471 -9.317 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.531 -11.049 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.259 -10.756 -5.500 1.00 0.00 H new ATOM 1191 N LEU A 83 1.077 -8.349 -5.197 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.305 -8.749 -5.436 1.00 0.00 C ATOM 1193 C LEU A 83 -0.752 -8.354 -6.840 1.00 0.00 C ATOM 1194 O LEU A 83 -1.452 -9.109 -7.515 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.228 -8.112 -4.396 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.577 -8.801 -4.185 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.497 -8.547 -5.368 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.385 -10.294 -3.966 1.00 0.00 C ATOM 0 H LEU A 83 1.187 -7.603 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.363 -9.834 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.703 -8.085 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.412 -7.078 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.042 -8.381 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.452 -9.045 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.661 -7.475 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.039 -8.939 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.355 -10.768 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.898 -10.730 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.764 -10.456 -3.085 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.340 -7.168 -7.274 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.695 -6.674 -8.599 1.00 0.00 C ATOM 1212 C ILE A 84 0.247 -7.228 -9.662 1.00 0.00 C ATOM 1213 O ILE A 84 -0.068 -7.215 -10.852 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.665 -5.135 -8.653 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.769 -4.625 -8.492 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.565 -4.549 -7.576 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.022 -3.304 -9.183 1.00 0.00 C ATOM 0 H ILE A 84 0.240 -6.531 -6.728 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.710 -7.016 -8.802 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.038 -4.813 -9.625 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.991 -4.519 -7.430 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.458 -5.371 -8.888 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.533 -3.461 -7.627 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.589 -4.890 -7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.219 -4.876 -6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.058 -3.004 -9.027 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.832 -3.410 -10.251 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.358 -2.544 -8.770 1.00 0.00 H new