USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 598 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 79 HIS : no HD1:sc= -1.29 X(o=-1.7,f=-1.6) USER MOD Set 1.2: A 83 SER OG : rot -146:sc= -0.363 USER MOD Set 2.1: A 52 MET CE :methyl -125:sc= -1.32 (180deg=-2.06!) USER MOD Set 2.2: A 58 CYS SG : rot 141:sc= -1.45 USER MOD Set 3.1: A 33 MET CE :methyl 145:sc= -0.861 (180deg=-2.45!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -7.74! C(o=-8.6!,f=-9.4!) USER MOD Set 4.1: A 29 ASN : amide:sc= 0 X(o=0.0035,f=0.0035) USER MOD Set 4.2: A 75 TYR OH : rot 101:sc= 0.00352 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -143:sc= 0.315 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 73:sc= 0.148 USER MOD Single : A 34 SER OG : rot 5:sc= 0.279 USER MOD Single : A 36 HIS : no HD1:sc= -0.0534 X(o=-0.053,f=-0.053) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 85:sc= 0.0867 USER MOD Single : A 41 SER OG : rot -150:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -4.55! C(o=-4.6!,f=-8.4!) USER MOD Single : A 56 SER OG : rot 63:sc= 0.443 USER MOD Single : A 64 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.26) USER MOD Single : A 66 MET CE :methyl -148:sc= -0.316 (180deg=-0.791) USER MOD Single : A 69 HIS : no HE2:sc= -5.27! C(o=-5.3!,f=-8.9!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0425 K(o=-0.043,f=-1.2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.66) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.582 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.904 -6.051 -5.304 1.00 0.00 N ATOM 142 CA ALA A 13 -2.476 -6.277 -5.127 1.00 0.00 C ATOM 143 C ALA A 13 -2.117 -7.739 -5.371 1.00 0.00 C ATOM 144 O ALA A 13 -2.995 -8.581 -5.563 1.00 0.00 O ATOM 145 CB ALA A 13 -2.043 -5.852 -3.731 1.00 0.00 C ATOM 0 HA ALA A 13 -1.944 -5.672 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.974 -6.027 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.255 -4.792 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.590 -6.433 -2.988 1.00 0.00 H new ATOM 151 N THR A 14 -0.821 -8.036 -5.364 1.00 0.00 N ATOM 152 CA THR A 14 -0.347 -9.396 -5.587 1.00 0.00 C ATOM 153 C THR A 14 0.456 -9.900 -4.394 1.00 0.00 C ATOM 154 O THR A 14 1.010 -9.112 -3.628 1.00 0.00 O ATOM 155 CB THR A 14 0.525 -9.486 -6.854 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.212 -9.021 -7.990 1.00 0.00 O ATOM 157 CG2 THR A 14 0.987 -10.915 -7.093 1.00 0.00 C ATOM 0 H THR A 14 -0.081 -7.352 -5.206 1.00 0.00 H new ATOM 0 HA THR A 14 -1.230 -10.022 -5.718 1.00 0.00 H new ATOM 0 HB THR A 14 1.403 -8.857 -6.709 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.350 -9.080 -8.791 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.601 -10.953 -7.993 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.573 -11.256 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.119 -11.562 -7.218 1.00 0.00 H new ATOM 165 N VAL A 15 0.516 -11.220 -4.243 1.00 0.00 N ATOM 166 CA VAL A 15 1.253 -11.830 -3.143 1.00 0.00 C ATOM 167 C VAL A 15 2.718 -12.039 -3.512 1.00 0.00 C ATOM 168 O VAL A 15 3.030 -12.572 -4.576 1.00 0.00 O ATOM 169 CB VAL A 15 0.639 -13.183 -2.738 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.550 -14.111 -3.940 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.449 -13.822 -1.620 1.00 0.00 C ATOM 0 H VAL A 15 0.063 -11.886 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 15 1.188 -11.143 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.372 -13.007 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.114 -15.062 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.076 -13.654 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.549 -14.283 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.001 -14.777 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.472 -13.985 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.455 -13.162 -0.752 1.00 0.00 H new ATOM 181 N GLY A 16 3.613 -11.617 -2.624 1.00 0.00 N ATOM 182 CA GLY A 16 5.034 -11.767 -2.875 1.00 0.00 C ATOM 183 C GLY A 16 5.592 -10.652 -3.738 1.00 0.00 C ATOM 184 O GLY A 16 6.671 -10.128 -3.465 1.00 0.00 O ATOM 0 H GLY A 16 3.379 -11.174 -1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.567 -11.788 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.214 -12.725 -3.363 1.00 0.00 H new ATOM 188 N SER A 17 4.855 -10.290 -4.783 1.00 0.00 N ATOM 189 CA SER A 17 5.285 -9.234 -5.693 1.00 0.00 C ATOM 190 C SER A 17 5.218 -7.871 -5.012 1.00 0.00 C ATOM 191 O SER A 17 4.256 -7.562 -4.308 1.00 0.00 O ATOM 192 CB SER A 17 4.416 -9.231 -6.952 1.00 0.00 C ATOM 193 OG SER A 17 4.624 -10.405 -7.718 1.00 0.00 O ATOM 0 H SER A 17 3.957 -10.712 -5.021 1.00 0.00 H new ATOM 0 HA SER A 17 6.319 -9.430 -5.975 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.365 -9.157 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.648 -8.353 -7.556 1.00 0.00 H new ATOM 0 HG SER A 17 4.056 -10.380 -8.516 1.00 0.00 H new ATOM 199 N ILE A 18 6.248 -7.059 -5.226 1.00 0.00 N ATOM 200 CA ILE A 18 6.307 -5.728 -4.634 1.00 0.00 C ATOM 201 C ILE A 18 5.038 -4.937 -4.933 1.00 0.00 C ATOM 202 O ILE A 18 4.548 -4.934 -6.063 1.00 0.00 O ATOM 203 CB ILE A 18 7.525 -4.937 -5.147 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.816 -5.709 -4.870 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.574 -3.561 -4.500 1.00 0.00 C ATOM 206 CD1 ILE A 18 9.199 -5.740 -3.406 1.00 0.00 C ATOM 0 H ILE A 18 7.053 -7.299 -5.805 1.00 0.00 H new ATOM 0 HA ILE A 18 6.401 -5.865 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 18 7.427 -4.806 -6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.703 -6.732 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.629 -5.259 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.440 -3.014 -4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.665 -3.011 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.652 -3.670 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.124 -6.304 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.345 -4.721 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.405 -6.217 -2.832 1.00 0.00 H new ATOM 218 N CYS A 19 4.512 -4.266 -3.914 1.00 0.00 N ATOM 219 CA CYS A 19 3.300 -3.470 -4.067 1.00 0.00 C ATOM 220 C CYS A 19 3.618 -1.979 -4.009 1.00 0.00 C ATOM 221 O CYS A 19 4.448 -1.542 -3.212 1.00 0.00 O ATOM 222 CB CYS A 19 2.286 -3.830 -2.980 1.00 0.00 C ATOM 223 SG CYS A 19 0.661 -3.072 -3.206 1.00 0.00 S ATOM 0 H CYS A 19 4.906 -4.258 -2.973 1.00 0.00 H new ATOM 0 HA CYS A 19 2.869 -3.694 -5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.169 -4.913 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.685 -3.527 -2.012 1.00 0.00 H new ATOM 0 HG CYS A 19 0.169 -2.746 -2.048 1.00 0.00 H new ATOM 229 N ASP A 20 2.953 -1.204 -4.858 1.00 0.00 N ATOM 230 CA ASP A 20 3.165 0.238 -4.904 1.00 0.00 C ATOM 231 C ASP A 20 1.854 0.987 -4.685 1.00 0.00 C ATOM 232 O ASP A 20 0.878 0.777 -5.407 1.00 0.00 O ATOM 233 CB ASP A 20 3.780 0.643 -6.245 1.00 0.00 C ATOM 234 CG ASP A 20 5.224 0.201 -6.376 1.00 0.00 C ATOM 235 OD1 ASP A 20 5.507 -0.987 -6.114 1.00 0.00 O ATOM 236 OD2 ASP A 20 6.072 1.043 -6.739 1.00 0.00 O ATOM 0 H ASP A 20 2.262 -1.550 -5.524 1.00 0.00 H new ATOM 0 HA ASP A 20 3.854 0.505 -4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.195 0.209 -7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.723 1.726 -6.355 1.00 0.00 H new ATOM 241 N LEU A 21 1.838 1.861 -3.684 1.00 0.00 N ATOM 242 CA LEU A 21 0.646 2.641 -3.369 1.00 0.00 C ATOM 243 C LEU A 21 0.738 4.041 -3.968 1.00 0.00 C ATOM 244 O LEU A 21 1.603 4.831 -3.594 1.00 0.00 O ATOM 245 CB LEU A 21 0.459 2.733 -1.854 1.00 0.00 C ATOM 246 CG LEU A 21 -0.966 3.002 -1.368 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.903 1.894 -1.823 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.996 3.140 0.147 1.00 0.00 C ATOM 0 H LEU A 21 2.636 2.047 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.216 2.135 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.803 1.800 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.106 3.525 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.307 3.941 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.912 2.102 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.905 1.843 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.565 0.941 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.018 3.331 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.635 2.218 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.357 3.969 0.450 1.00 0.00 H new ATOM 260 N ASN A 22 -0.163 4.341 -4.898 1.00 0.00 N ATOM 261 CA ASN A 22 -0.185 5.647 -5.547 1.00 0.00 C ATOM 262 C ASN A 22 -0.684 6.723 -4.588 1.00 0.00 C ATOM 263 O ASN A 22 -1.885 6.843 -4.343 1.00 0.00 O ATOM 264 CB ASN A 22 -1.073 5.605 -6.792 1.00 0.00 C ATOM 265 CG ASN A 22 -0.686 4.488 -7.742 1.00 0.00 C ATOM 266 OD1 ASN A 22 -1.398 3.492 -7.869 1.00 0.00 O ATOM 267 ND2 ASN A 22 0.448 4.649 -8.414 1.00 0.00 N ATOM 0 H ASN A 22 -0.887 3.698 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 22 0.834 5.895 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.112 5.477 -6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.008 6.560 -7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.760 3.930 -9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.007 5.491 -8.277 1.00 0.00 H new ATOM 274 N LEU A 23 0.245 7.504 -4.049 1.00 0.00 N ATOM 275 CA LEU A 23 -0.100 8.572 -3.117 1.00 0.00 C ATOM 276 C LEU A 23 0.574 9.882 -3.515 1.00 0.00 C ATOM 277 O LEU A 23 1.799 9.997 -3.482 1.00 0.00 O ATOM 278 CB LEU A 23 0.310 8.187 -1.695 1.00 0.00 C ATOM 279 CG LEU A 23 -0.662 7.280 -0.938 1.00 0.00 C ATOM 280 CD1 LEU A 23 0.060 6.530 0.170 1.00 0.00 C ATOM 281 CD2 LEU A 23 -1.816 8.093 -0.370 1.00 0.00 C ATOM 0 H LEU A 23 1.243 7.418 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.180 8.715 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.279 7.690 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.447 9.101 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.068 6.549 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.648 5.890 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.852 5.917 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.494 7.244 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.498 7.432 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.428 8.846 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.350 8.584 -1.183 1.00 0.00 H new ATOM 293 N LYS A 24 -0.235 10.867 -3.890 1.00 0.00 N ATOM 294 CA LYS A 24 0.281 12.170 -4.291 1.00 0.00 C ATOM 295 C LYS A 24 -0.435 13.292 -3.546 1.00 0.00 C ATOM 296 O LYS A 24 -1.657 13.418 -3.621 1.00 0.00 O ATOM 297 CB LYS A 24 0.120 12.363 -5.801 1.00 0.00 C ATOM 298 CG LYS A 24 -1.305 12.673 -6.226 1.00 0.00 C ATOM 299 CD LYS A 24 -1.502 12.459 -7.717 1.00 0.00 C ATOM 300 CE LYS A 24 -1.572 10.979 -8.063 1.00 0.00 C ATOM 301 NZ LYS A 24 -1.631 10.755 -9.534 1.00 0.00 N ATOM 0 H LYS A 24 -1.251 10.787 -3.925 1.00 0.00 H new ATOM 0 HA LYS A 24 1.340 12.207 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.772 13.174 -6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.454 11.460 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.997 12.038 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.545 13.705 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.419 12.953 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.681 12.923 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.701 10.469 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.451 10.537 -7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.678 9.734 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.476 11.220 -9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.780 11.154 -9.980 1.00 0.00 H new ATOM 315 N ILE A 25 0.334 14.105 -2.829 1.00 0.00 N ATOM 316 CA ILE A 25 -0.227 15.217 -2.073 1.00 0.00 C ATOM 317 C ILE A 25 0.801 16.326 -1.881 1.00 0.00 C ATOM 318 O ILE A 25 1.871 16.122 -1.307 1.00 0.00 O ATOM 319 CB ILE A 25 -0.736 14.760 -0.693 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.500 13.440 -0.819 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.619 15.832 -0.072 1.00 0.00 C ATOM 322 CD1 ILE A 25 -2.017 12.914 0.502 1.00 0.00 C ATOM 0 H ILE A 25 1.347 14.014 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.067 15.600 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 25 0.122 14.601 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.340 13.579 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.846 12.692 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.971 15.494 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.046 16.751 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.474 16.020 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.548 11.976 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.180 12.743 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.696 13.643 0.943 1.00 0.00 H new ATOM 334 N PRO A 26 0.472 17.530 -2.372 1.00 0.00 N ATOM 335 CA PRO A 26 1.353 18.697 -2.264 1.00 0.00 C ATOM 336 C PRO A 26 1.471 19.205 -0.831 1.00 0.00 C ATOM 337 O PRO A 26 2.573 19.427 -0.331 1.00 0.00 O ATOM 338 CB PRO A 26 0.666 19.743 -3.147 1.00 0.00 C ATOM 339 CG PRO A 26 -0.770 19.347 -3.155 1.00 0.00 C ATOM 340 CD PRO A 26 -0.786 17.846 -3.069 1.00 0.00 C ATOM 0 HA PRO A 26 2.374 18.466 -2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.797 20.748 -2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.082 19.745 -4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.302 19.792 -2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.265 19.691 -4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.653 17.485 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.824 17.387 -4.057 1.00 0.00 H new ATOM 348 N GLU A 27 0.328 19.384 -0.176 1.00 0.00 N ATOM 349 CA GLU A 27 0.305 19.866 1.200 1.00 0.00 C ATOM 350 C GLU A 27 1.185 18.998 2.095 1.00 0.00 C ATOM 351 O GLU A 27 1.960 19.509 2.905 1.00 0.00 O ATOM 352 CB GLU A 27 -1.128 19.880 1.735 1.00 0.00 C ATOM 353 CG GLU A 27 -1.880 21.164 1.427 1.00 0.00 C ATOM 354 CD GLU A 27 -1.591 22.264 2.429 1.00 0.00 C ATOM 355 OE1 GLU A 27 -1.797 22.034 3.639 1.00 0.00 O ATOM 356 OE2 GLU A 27 -1.159 23.356 2.003 1.00 0.00 O ATOM 0 H GLU A 27 -0.593 19.203 -0.575 1.00 0.00 H new ATOM 0 HA GLU A 27 0.698 20.883 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.674 19.038 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.105 19.732 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.611 21.508 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.951 20.960 1.416 1.00 0.00 H new ATOM 363 N ILE A 28 1.059 17.684 1.943 1.00 0.00 N ATOM 364 CA ILE A 28 1.843 16.746 2.736 1.00 0.00 C ATOM 365 C ILE A 28 3.286 16.683 2.247 1.00 0.00 C ATOM 366 O ILE A 28 3.551 16.789 1.050 1.00 0.00 O ATOM 367 CB ILE A 28 1.237 15.331 2.695 1.00 0.00 C ATOM 368 CG1 ILE A 28 -0.250 15.378 3.054 1.00 0.00 C ATOM 369 CG2 ILE A 28 1.986 14.406 3.643 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.510 15.666 4.516 1.00 0.00 C ATOM 0 H ILE A 28 0.422 17.245 1.278 1.00 0.00 H new ATOM 0 HA ILE A 28 1.826 17.111 3.763 1.00 0.00 H new ATOM 0 HB ILE A 28 1.335 14.940 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.737 16.143 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.709 14.424 2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.546 13.410 3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.034 14.352 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.916 14.793 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.585 15.684 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.052 14.888 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.081 16.633 4.778 1.00 0.00 H new ATOM 382 N ASN A 29 4.215 16.508 3.181 1.00 0.00 N ATOM 383 CA ASN A 29 5.632 16.430 2.845 1.00 0.00 C ATOM 384 C ASN A 29 6.165 15.017 3.063 1.00 0.00 C ATOM 385 O ASN A 29 5.908 14.397 4.095 1.00 0.00 O ATOM 386 CB ASN A 29 6.433 17.425 3.687 1.00 0.00 C ATOM 387 CG ASN A 29 5.760 18.781 3.776 1.00 0.00 C ATOM 388 OD1 ASN A 29 5.325 19.202 4.848 1.00 0.00 O ATOM 389 ND2 ASN A 29 5.671 19.472 2.645 1.00 0.00 N ATOM 0 H ASN A 29 4.012 16.418 4.177 1.00 0.00 H new ATOM 0 HA ASN A 29 5.745 16.684 1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.567 17.022 4.691 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.427 17.544 3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.228 20.391 2.642 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.046 19.084 1.779 1.00 0.00 H new ATOM 396 N SER A 30 6.910 14.514 2.084 1.00 0.00 N ATOM 397 CA SER A 30 7.477 13.173 2.166 1.00 0.00 C ATOM 398 C SER A 30 8.284 13.003 3.450 1.00 0.00 C ATOM 399 O SER A 30 8.457 11.889 3.944 1.00 0.00 O ATOM 400 CB SER A 30 8.366 12.897 0.952 1.00 0.00 C ATOM 401 OG SER A 30 9.397 13.862 0.844 1.00 0.00 O ATOM 0 H SER A 30 7.135 15.015 1.225 1.00 0.00 H new ATOM 0 HA SER A 30 6.655 12.457 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.803 11.902 1.036 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.761 12.904 0.045 1.00 0.00 H new ATOM 0 HG SER A 30 9.952 13.662 0.061 1.00 0.00 H new ATOM 407 N SER A 31 8.775 14.116 3.985 1.00 0.00 N ATOM 408 CA SER A 31 9.566 14.091 5.210 1.00 0.00 C ATOM 409 C SER A 31 8.666 13.978 6.436 1.00 0.00 C ATOM 410 O SER A 31 9.063 13.424 7.462 1.00 0.00 O ATOM 411 CB SER A 31 10.429 15.350 5.310 1.00 0.00 C ATOM 412 OG SER A 31 9.658 16.516 5.077 1.00 0.00 O ATOM 0 H SER A 31 8.639 15.046 3.590 1.00 0.00 H new ATOM 0 HA SER A 31 10.215 13.216 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.886 15.404 6.298 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.241 15.296 4.585 1.00 0.00 H new ATOM 0 HG SER A 31 9.080 16.686 5.850 1.00 0.00 H new ATOM 418 N ASP A 32 7.453 14.508 6.323 1.00 0.00 N ATOM 419 CA ASP A 32 6.495 14.466 7.421 1.00 0.00 C ATOM 420 C ASP A 32 5.448 13.381 7.189 1.00 0.00 C ATOM 421 O ASP A 32 4.332 13.462 7.700 1.00 0.00 O ATOM 422 CB ASP A 32 5.812 15.825 7.582 1.00 0.00 C ATOM 423 CG ASP A 32 6.761 16.894 8.088 1.00 0.00 C ATOM 424 OD1 ASP A 32 7.954 16.847 7.724 1.00 0.00 O ATOM 425 OD2 ASP A 32 6.310 17.777 8.848 1.00 0.00 O ATOM 0 H ASP A 32 7.110 14.972 5.482 1.00 0.00 H new ATOM 0 HA ASP A 32 7.039 14.230 8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.397 16.136 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.976 15.728 8.275 1.00 0.00 H new ATOM 430 N MET A 33 5.817 12.367 6.413 1.00 0.00 N ATOM 431 CA MET A 33 4.910 11.266 6.113 1.00 0.00 C ATOM 432 C MET A 33 5.299 10.013 6.891 1.00 0.00 C ATOM 433 O MET A 33 6.444 9.868 7.319 1.00 0.00 O ATOM 434 CB MET A 33 4.911 10.969 4.612 1.00 0.00 C ATOM 435 CG MET A 33 3.998 11.884 3.811 1.00 0.00 C ATOM 436 SD MET A 33 4.078 11.565 2.038 1.00 0.00 S ATOM 437 CE MET A 33 3.812 9.794 2.000 1.00 0.00 C ATOM 0 H MET A 33 6.737 12.285 5.981 1.00 0.00 H new ATOM 0 HA MET A 33 3.906 11.564 6.416 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.929 11.062 4.232 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.605 9.935 4.454 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.971 11.756 4.153 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.271 12.922 4.002 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.239 9.531 1.111 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.774 9.282 1.976 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.261 9.490 2.890 1.00 0.00 H new ATOM 447 N SER A 34 4.340 9.110 7.071 1.00 0.00 N ATOM 448 CA SER A 34 4.582 7.872 7.801 1.00 0.00 C ATOM 449 C SER A 34 3.645 6.767 7.323 1.00 0.00 C ATOM 450 O SER A 34 2.424 6.890 7.418 1.00 0.00 O ATOM 451 CB SER A 34 4.400 8.096 9.303 1.00 0.00 C ATOM 452 OG SER A 34 5.430 8.919 9.824 1.00 0.00 O ATOM 0 H SER A 34 3.388 9.213 6.721 1.00 0.00 H new ATOM 0 HA SER A 34 5.609 7.562 7.609 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.431 8.558 9.490 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.400 7.136 9.820 1.00 0.00 H new ATOM 0 HG SER A 34 6.000 9.232 9.091 1.00 0.00 H new ATOM 458 N ALA A 35 4.226 5.688 6.808 1.00 0.00 N ATOM 459 CA ALA A 35 3.444 4.560 6.317 1.00 0.00 C ATOM 460 C ALA A 35 3.832 3.271 7.032 1.00 0.00 C ATOM 461 O ALA A 35 5.013 3.000 7.248 1.00 0.00 O ATOM 462 CB ALA A 35 3.624 4.408 4.814 1.00 0.00 C ATOM 0 H ALA A 35 5.236 5.571 6.720 1.00 0.00 H new ATOM 0 HA ALA A 35 2.393 4.759 6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.035 3.562 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.290 5.317 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.677 4.236 4.589 1.00 0.00 H new ATOM 468 N HIS A 36 2.829 2.478 7.398 1.00 0.00 N ATOM 469 CA HIS A 36 3.066 1.216 8.090 1.00 0.00 C ATOM 470 C HIS A 36 2.185 0.109 7.517 1.00 0.00 C ATOM 471 O HIS A 36 0.966 0.257 7.425 1.00 0.00 O ATOM 472 CB HIS A 36 2.800 1.373 9.587 1.00 0.00 C ATOM 473 CG HIS A 36 3.563 2.497 10.217 1.00 0.00 C ATOM 474 ND1 HIS A 36 2.986 3.703 10.554 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.866 2.592 10.572 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.900 4.492 11.088 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.050 3.842 11.111 1.00 0.00 N ATOM 0 H HIS A 36 1.845 2.687 7.227 1.00 0.00 H new ATOM 0 HA HIS A 36 4.110 0.939 7.942 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.734 1.537 9.743 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.057 0.442 10.093 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.620 1.828 10.454 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.736 5.498 11.445 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.931 4.209 11.471 1.00 0.00 H new ATOM 486 N VAL A 37 2.810 -0.999 7.134 1.00 0.00 N ATOM 487 CA VAL A 37 2.083 -2.131 6.571 1.00 0.00 C ATOM 488 C VAL A 37 1.601 -3.074 7.667 1.00 0.00 C ATOM 489 O VAL A 37 2.369 -3.884 8.187 1.00 0.00 O ATOM 490 CB VAL A 37 2.956 -2.920 5.577 1.00 0.00 C ATOM 491 CG1 VAL A 37 2.222 -4.160 5.089 1.00 0.00 C ATOM 492 CG2 VAL A 37 3.362 -2.036 4.407 1.00 0.00 C ATOM 0 H VAL A 37 3.818 -1.137 7.203 1.00 0.00 H new ATOM 0 HA VAL A 37 1.222 -1.723 6.042 1.00 0.00 H new ATOM 0 HB VAL A 37 3.862 -3.242 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.854 -4.705 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.986 -4.801 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.299 -3.864 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.978 -2.609 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.469 -1.683 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.930 -1.182 4.776 1.00 0.00 H new ATOM 502 N THR A 38 0.322 -2.965 8.013 1.00 0.00 N ATOM 503 CA THR A 38 -0.264 -3.808 9.048 1.00 0.00 C ATOM 504 C THR A 38 -0.740 -5.136 8.471 1.00 0.00 C ATOM 505 O THR A 38 -1.143 -5.211 7.311 1.00 0.00 O ATOM 506 CB THR A 38 -1.449 -3.107 9.739 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.108 -1.749 10.038 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.834 -3.832 11.020 1.00 0.00 C ATOM 0 H THR A 38 -0.328 -2.301 7.592 1.00 0.00 H new ATOM 0 HA THR A 38 0.518 -3.994 9.784 1.00 0.00 H new ATOM 0 HB THR A 38 -2.301 -3.126 9.059 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.867 -1.310 10.476 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.673 -3.319 11.490 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.121 -4.857 10.786 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.984 -3.840 11.703 1.00 0.00 H new ATOM 516 N SER A 39 -0.691 -6.183 9.289 1.00 0.00 N ATOM 517 CA SER A 39 -1.115 -7.510 8.859 1.00 0.00 C ATOM 518 C SER A 39 -2.416 -7.914 9.545 1.00 0.00 C ATOM 519 O SER A 39 -2.739 -7.454 10.640 1.00 0.00 O ATOM 520 CB SER A 39 -0.024 -8.540 9.161 1.00 0.00 C ATOM 521 OG SER A 39 1.074 -8.395 8.277 1.00 0.00 O ATOM 0 H SER A 39 -0.362 -6.138 10.253 1.00 0.00 H new ATOM 0 HA SER A 39 -1.287 -7.478 7.783 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.316 -8.423 10.190 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.435 -9.546 9.073 1.00 0.00 H new ATOM 0 HG SER A 39 1.682 -7.708 8.621 1.00 0.00 H new ATOM 527 N PRO A 40 -3.182 -8.797 8.886 1.00 0.00 N ATOM 528 CA PRO A 40 -4.460 -9.284 9.413 1.00 0.00 C ATOM 529 C PRO A 40 -4.279 -10.195 10.623 1.00 0.00 C ATOM 530 O PRO A 40 -5.253 -10.692 11.189 1.00 0.00 O ATOM 531 CB PRO A 40 -5.053 -10.066 8.239 1.00 0.00 C ATOM 532 CG PRO A 40 -3.874 -10.487 7.430 1.00 0.00 C ATOM 533 CD PRO A 40 -2.858 -9.388 7.577 1.00 0.00 C ATOM 0 HA PRO A 40 -5.093 -8.469 9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.624 -10.928 8.585 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.734 -9.447 7.654 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.476 -11.437 7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.148 -10.628 6.384 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.840 -9.776 7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.939 -8.655 6.774 1.00 0.00 H new ATOM 541 N SER A 41 -3.027 -10.409 11.015 1.00 0.00 N ATOM 542 CA SER A 41 -2.719 -11.263 12.156 1.00 0.00 C ATOM 543 C SER A 41 -2.302 -10.428 13.362 1.00 0.00 C ATOM 544 O SER A 41 -2.296 -10.911 14.494 1.00 0.00 O ATOM 545 CB SER A 41 -1.607 -12.250 11.795 1.00 0.00 C ATOM 546 OG SER A 41 -0.332 -11.641 11.897 1.00 0.00 O ATOM 0 H SER A 41 -2.210 -10.003 10.559 1.00 0.00 H new ATOM 0 HA SER A 41 -3.619 -11.820 12.416 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.655 -13.114 12.457 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.758 -12.617 10.780 1.00 0.00 H new ATOM 0 HG SER A 41 0.281 -12.056 11.255 1.00 0.00 H new ATOM 552 N GLY A 42 -1.953 -9.170 13.111 1.00 0.00 N ATOM 553 CA GLY A 42 -1.539 -8.286 14.186 1.00 0.00 C ATOM 554 C GLY A 42 -0.081 -7.887 14.078 1.00 0.00 C ATOM 555 O GLY A 42 0.529 -7.468 15.062 1.00 0.00 O ATOM 0 H GLY A 42 -1.949 -8.747 12.183 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.160 -7.390 14.175 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.708 -8.779 15.143 1.00 0.00 H new ATOM 559 N ARG A 43 0.480 -8.017 12.880 1.00 0.00 N ATOM 560 CA ARG A 43 1.877 -7.669 12.649 1.00 0.00 C ATOM 561 C ARG A 43 1.992 -6.496 11.680 1.00 0.00 C ATOM 562 O ARG A 43 1.528 -6.569 10.542 1.00 0.00 O ATOM 563 CB ARG A 43 2.641 -8.875 12.098 1.00 0.00 C ATOM 564 CG ARG A 43 4.151 -8.721 12.163 1.00 0.00 C ATOM 565 CD ARG A 43 4.858 -9.830 11.399 1.00 0.00 C ATOM 566 NE ARG A 43 5.005 -11.040 12.203 1.00 0.00 N ATOM 567 CZ ARG A 43 4.058 -11.965 12.319 1.00 0.00 C ATOM 568 NH1 ARG A 43 2.902 -11.818 11.687 1.00 0.00 N ATOM 569 NH2 ARG A 43 4.267 -13.039 13.069 1.00 0.00 N ATOM 0 H ARG A 43 -0.011 -8.361 12.055 1.00 0.00 H new ATOM 0 HA ARG A 43 2.314 -7.375 13.603 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.351 -9.765 12.657 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.345 -9.039 11.062 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.437 -7.754 11.750 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.474 -8.732 13.204 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.296 -10.062 10.494 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.842 -9.483 11.083 1.00 0.00 H new ATOM 0 HE ARG A 43 5.883 -11.183 12.703 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.738 -10.993 11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.177 -12.530 11.778 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.155 -13.155 13.557 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.540 -13.749 13.158 1.00 0.00 H new ATOM 583 N VAL A 44 2.612 -5.414 12.140 1.00 0.00 N ATOM 584 CA VAL A 44 2.788 -4.225 11.315 1.00 0.00 C ATOM 585 C VAL A 44 4.261 -3.850 11.199 1.00 0.00 C ATOM 586 O VAL A 44 5.029 -4.000 12.150 1.00 0.00 O ATOM 587 CB VAL A 44 2.008 -3.025 11.886 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.213 -2.922 13.389 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.429 -1.739 11.192 1.00 0.00 C ATOM 0 H VAL A 44 3.001 -5.336 13.080 1.00 0.00 H new ATOM 0 HA VAL A 44 2.398 -4.465 10.326 1.00 0.00 H new ATOM 0 HB VAL A 44 0.946 -3.181 11.699 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.655 -2.069 13.775 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.858 -3.835 13.868 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.273 -2.789 13.603 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.869 -0.901 11.607 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.495 -1.574 11.347 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.225 -1.818 10.124 1.00 0.00 H new ATOM 599 N THR A 45 4.651 -3.362 10.025 1.00 0.00 N ATOM 600 CA THR A 45 6.033 -2.966 9.783 1.00 0.00 C ATOM 601 C THR A 45 6.103 -1.603 9.103 1.00 0.00 C ATOM 602 O THR A 45 5.090 -1.076 8.645 1.00 0.00 O ATOM 603 CB THR A 45 6.769 -4.000 8.911 1.00 0.00 C ATOM 604 OG1 THR A 45 5.978 -4.324 7.762 1.00 0.00 O ATOM 605 CG2 THR A 45 7.063 -5.265 9.704 1.00 0.00 C ATOM 0 H THR A 45 4.029 -3.232 9.227 1.00 0.00 H new ATOM 0 HA THR A 45 6.521 -2.909 10.756 1.00 0.00 H new ATOM 0 HB THR A 45 7.715 -3.564 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.454 -4.981 7.212 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.583 -5.981 9.067 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.690 -5.020 10.561 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.127 -5.702 10.052 1.00 0.00 H new ATOM 613 N GLU A 46 7.305 -1.039 9.042 1.00 0.00 N ATOM 614 CA GLU A 46 7.506 0.264 8.417 1.00 0.00 C ATOM 615 C GLU A 46 7.557 0.136 6.898 1.00 0.00 C ATOM 616 O GLU A 46 8.066 -0.849 6.364 1.00 0.00 O ATOM 617 CB GLU A 46 8.796 0.906 8.930 1.00 0.00 C ATOM 618 CG GLU A 46 9.234 2.119 8.125 1.00 0.00 C ATOM 619 CD GLU A 46 10.140 1.753 6.965 1.00 0.00 C ATOM 620 OE1 GLU A 46 10.686 0.630 6.971 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.302 2.589 6.052 1.00 0.00 O ATOM 0 H GLU A 46 8.154 -1.463 9.417 1.00 0.00 H new ATOM 0 HA GLU A 46 6.662 0.900 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.656 1.202 9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.593 0.163 8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.353 2.635 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.754 2.817 8.781 1.00 0.00 H new ATOM 628 N ALA A 47 7.024 1.139 6.207 1.00 0.00 N ATOM 629 CA ALA A 47 7.010 1.141 4.750 1.00 0.00 C ATOM 630 C ALA A 47 7.988 2.170 4.192 1.00 0.00 C ATOM 631 O ALA A 47 8.244 3.198 4.818 1.00 0.00 O ATOM 632 CB ALA A 47 5.604 1.413 4.236 1.00 0.00 C ATOM 0 H ALA A 47 6.596 1.961 6.634 1.00 0.00 H new ATOM 0 HA ALA A 47 7.326 0.156 4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.608 1.412 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.928 0.638 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.267 2.385 4.596 1.00 0.00 H new ATOM 638 N GLU A 48 8.531 1.885 3.013 1.00 0.00 N ATOM 639 CA GLU A 48 9.482 2.787 2.373 1.00 0.00 C ATOM 640 C GLU A 48 8.759 3.816 1.508 1.00 0.00 C ATOM 641 O GLU A 48 7.796 3.491 0.813 1.00 0.00 O ATOM 642 CB GLU A 48 10.475 1.995 1.520 1.00 0.00 C ATOM 643 CG GLU A 48 11.483 2.867 0.792 1.00 0.00 C ATOM 644 CD GLU A 48 12.658 3.256 1.668 1.00 0.00 C ATOM 645 OE1 GLU A 48 13.406 2.350 2.092 1.00 0.00 O ATOM 646 OE2 GLU A 48 12.829 4.465 1.930 1.00 0.00 O ATOM 0 H GLU A 48 8.329 1.038 2.482 1.00 0.00 H new ATOM 0 HA GLU A 48 10.027 3.315 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.010 1.292 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.923 1.405 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.850 2.336 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.986 3.769 0.435 1.00 0.00 H new ATOM 653 N ILE A 49 9.230 5.057 1.558 1.00 0.00 N ATOM 654 CA ILE A 49 8.630 6.133 0.779 1.00 0.00 C ATOM 655 C ILE A 49 9.615 6.687 -0.245 1.00 0.00 C ATOM 656 O ILE A 49 10.344 7.640 0.032 1.00 0.00 O ATOM 657 CB ILE A 49 8.147 7.282 1.685 1.00 0.00 C ATOM 658 CG1 ILE A 49 7.192 6.750 2.755 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.473 8.363 0.854 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.968 7.714 3.898 1.00 0.00 C ATOM 0 H ILE A 49 10.025 5.342 2.130 1.00 0.00 H new ATOM 0 HA ILE A 49 7.772 5.706 0.259 1.00 0.00 H new ATOM 0 HB ILE A 49 9.011 7.721 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.233 6.519 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.588 5.815 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.137 9.168 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.182 8.758 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.616 7.939 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.281 7.271 4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.919 7.926 4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.543 8.641 3.514 1.00 0.00 H new ATOM 672 N VAL A 50 9.630 6.085 -1.429 1.00 0.00 N ATOM 673 CA VAL A 50 10.524 6.519 -2.497 1.00 0.00 C ATOM 674 C VAL A 50 9.974 7.752 -3.205 1.00 0.00 C ATOM 675 O VAL A 50 8.794 7.828 -3.546 1.00 0.00 O ATOM 676 CB VAL A 50 10.746 5.401 -3.533 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.636 5.891 -4.664 1.00 0.00 C ATOM 678 CG2 VAL A 50 11.342 4.170 -2.868 1.00 0.00 C ATOM 0 H VAL A 50 9.033 5.295 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 50 11.478 6.766 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 50 9.781 5.124 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.782 5.088 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.164 6.741 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.602 6.196 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.492 3.390 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.299 4.428 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.662 3.808 -2.097 1.00 0.00 H new ATOM 688 N PRO A 51 10.850 8.743 -3.433 1.00 0.00 N ATOM 689 CA PRO A 51 10.476 9.991 -4.105 1.00 0.00 C ATOM 690 C PRO A 51 10.174 9.785 -5.585 1.00 0.00 C ATOM 691 O PRO A 51 11.076 9.808 -6.421 1.00 0.00 O ATOM 692 CB PRO A 51 11.714 10.873 -3.929 1.00 0.00 C ATOM 693 CG PRO A 51 12.843 9.914 -3.768 1.00 0.00 C ATOM 694 CD PRO A 51 12.272 8.720 -3.054 1.00 0.00 C ATOM 0 HA PRO A 51 9.566 10.422 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.865 11.520 -4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.618 11.521 -3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.255 9.630 -4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.656 10.360 -3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.756 7.795 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.401 8.798 -1.974 1.00 0.00 H new ATOM 702 N MET A 52 8.899 9.583 -5.902 1.00 0.00 N ATOM 703 CA MET A 52 8.478 9.374 -7.282 1.00 0.00 C ATOM 704 C MET A 52 8.632 10.655 -8.097 1.00 0.00 C ATOM 705 O MET A 52 9.037 10.619 -9.258 1.00 0.00 O ATOM 706 CB MET A 52 7.025 8.898 -7.329 1.00 0.00 C ATOM 707 CG MET A 52 6.846 7.451 -6.898 1.00 0.00 C ATOM 708 SD MET A 52 7.557 6.283 -8.073 1.00 0.00 S ATOM 709 CE MET A 52 8.467 5.204 -6.970 1.00 0.00 C ATOM 0 H MET A 52 8.140 9.560 -5.221 1.00 0.00 H new ATOM 0 HA MET A 52 9.118 8.607 -7.718 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.421 9.538 -6.686 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.645 9.016 -8.344 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.310 7.307 -5.922 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.783 7.240 -6.780 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.509 5.156 -7.286 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.413 5.594 -5.953 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.033 4.204 -6.999 1.00 0.00 H new ATOM 719 N GLY A 53 8.305 11.787 -7.479 1.00 0.00 N ATOM 720 CA GLY A 53 8.413 13.062 -8.163 1.00 0.00 C ATOM 721 C GLY A 53 7.887 14.213 -7.328 1.00 0.00 C ATOM 722 O GLY A 53 8.091 14.255 -6.115 1.00 0.00 O ATOM 0 H GLY A 53 7.968 11.843 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.457 13.248 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.861 13.016 -9.102 1.00 0.00 H new ATOM 726 N LYS A 54 7.209 15.153 -7.980 1.00 0.00 N ATOM 727 CA LYS A 54 6.652 16.311 -7.291 1.00 0.00 C ATOM 728 C LYS A 54 5.415 15.923 -6.488 1.00 0.00 C ATOM 729 O LYS A 54 4.459 15.370 -7.031 1.00 0.00 O ATOM 730 CB LYS A 54 6.297 17.406 -8.299 1.00 0.00 C ATOM 731 CG LYS A 54 6.160 18.785 -7.676 1.00 0.00 C ATOM 732 CD LYS A 54 7.516 19.374 -7.322 1.00 0.00 C ATOM 733 CE LYS A 54 7.454 20.889 -7.213 1.00 0.00 C ATOM 734 NZ LYS A 54 8.460 21.418 -6.251 1.00 0.00 N ATOM 0 H LYS A 54 7.032 15.135 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 54 7.406 16.691 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.065 17.440 -9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.361 17.145 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.644 19.449 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.545 18.720 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.861 18.954 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.246 19.092 -8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.623 21.331 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.455 21.190 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.385 22.454 -6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.283 21.016 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.415 21.153 -6.567 1.00 0.00 H new ATOM 748 N ASN A 55 5.440 16.219 -5.192 1.00 0.00 N ATOM 749 CA ASN A 55 4.319 15.902 -4.314 1.00 0.00 C ATOM 750 C ASN A 55 3.815 14.484 -4.566 1.00 0.00 C ATOM 751 O ASN A 55 2.609 14.237 -4.583 1.00 0.00 O ATOM 752 CB ASN A 55 3.182 16.904 -4.523 1.00 0.00 C ATOM 753 CG ASN A 55 2.789 17.037 -5.981 1.00 0.00 C ATOM 754 OD1 ASN A 55 3.401 17.795 -6.734 1.00 0.00 O ATOM 755 ND2 ASN A 55 1.762 16.300 -6.387 1.00 0.00 N ATOM 0 H ASN A 55 6.224 16.677 -4.727 1.00 0.00 H new ATOM 0 HA ASN A 55 4.667 15.967 -3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.314 16.591 -3.943 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.486 17.879 -4.141 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.451 16.349 -7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.284 15.685 -5.729 1.00 0.00 H new ATOM 762 N SER A 56 4.747 13.556 -4.762 1.00 0.00 N ATOM 763 CA SER A 56 4.397 12.163 -5.016 1.00 0.00 C ATOM 764 C SER A 56 5.126 11.235 -4.049 1.00 0.00 C ATOM 765 O SER A 56 6.276 11.480 -3.684 1.00 0.00 O ATOM 766 CB SER A 56 4.738 11.785 -6.458 1.00 0.00 C ATOM 767 OG SER A 56 3.874 12.435 -7.374 1.00 0.00 O ATOM 0 H SER A 56 5.750 13.744 -4.750 1.00 0.00 H new ATOM 0 HA SER A 56 3.324 12.049 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.772 12.056 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.659 10.705 -6.582 1.00 0.00 H new ATOM 0 HG SER A 56 3.996 13.405 -7.307 1.00 0.00 H new ATOM 773 N HIS A 57 4.448 10.169 -3.637 1.00 0.00 N ATOM 774 CA HIS A 57 5.030 9.202 -2.713 1.00 0.00 C ATOM 775 C HIS A 57 4.667 7.777 -3.118 1.00 0.00 C ATOM 776 O HIS A 57 3.543 7.509 -3.545 1.00 0.00 O ATOM 777 CB HIS A 57 4.551 9.477 -1.287 1.00 0.00 C ATOM 778 CG HIS A 57 4.432 10.935 -0.965 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.520 11.734 -0.681 1.00 0.00 N ATOM 780 CD2 HIS A 57 3.346 11.738 -0.886 1.00 0.00 C ATOM 781 CE1 HIS A 57 5.107 12.965 -0.438 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.792 12.995 -0.557 1.00 0.00 N ATOM 0 H HIS A 57 3.495 9.953 -3.928 1.00 0.00 H new ATOM 0 HA HIS A 57 6.114 9.306 -2.751 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.582 9.001 -1.140 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.244 9.014 -0.584 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.320 11.445 -1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.738 13.804 -0.185 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.203 13.818 -0.426 1.00 0.00 H new ATOM 791 N CYS A 58 5.625 6.867 -2.982 1.00 0.00 N ATOM 792 CA CYS A 58 5.407 5.468 -3.335 1.00 0.00 C ATOM 793 C CYS A 58 5.679 4.558 -2.142 1.00 0.00 C ATOM 794 O CYS A 58 6.815 4.445 -1.680 1.00 0.00 O ATOM 795 CB CYS A 58 6.303 5.072 -4.509 1.00 0.00 C ATOM 796 SG CYS A 58 5.962 3.426 -5.176 1.00 0.00 S ATOM 0 H CYS A 58 6.560 7.072 -2.630 1.00 0.00 H new ATOM 0 HA CYS A 58 4.364 5.350 -3.628 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.185 5.807 -5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.344 5.114 -4.188 1.00 0.00 H new ATOM 0 HG CYS A 58 6.060 3.454 -6.472 1.00 0.00 H new ATOM 802 N VAL A 59 4.629 3.910 -1.647 1.00 0.00 N ATOM 803 CA VAL A 59 4.754 3.009 -0.508 1.00 0.00 C ATOM 804 C VAL A 59 5.111 1.597 -0.960 1.00 0.00 C ATOM 805 O VAL A 59 4.232 0.795 -1.275 1.00 0.00 O ATOM 806 CB VAL A 59 3.453 2.959 0.314 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.618 2.051 1.523 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.040 4.360 0.741 1.00 0.00 C ATOM 0 H VAL A 59 3.682 3.993 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 59 5.556 3.401 0.118 1.00 0.00 H new ATOM 0 HB VAL A 59 2.663 2.546 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.688 2.029 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.864 1.043 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.421 2.430 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.119 4.307 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.828 4.802 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.877 4.977 -0.143 1.00 0.00 H new ATOM 818 N ARG A 60 6.406 1.301 -0.989 1.00 0.00 N ATOM 819 CA ARG A 60 6.880 -0.015 -1.403 1.00 0.00 C ATOM 820 C ARG A 60 6.857 -0.994 -0.233 1.00 0.00 C ATOM 821 O ARG A 60 7.451 -0.740 0.814 1.00 0.00 O ATOM 822 CB ARG A 60 8.297 0.085 -1.971 1.00 0.00 C ATOM 823 CG ARG A 60 8.590 -0.934 -3.060 1.00 0.00 C ATOM 824 CD ARG A 60 10.081 -1.211 -3.176 1.00 0.00 C ATOM 825 NE ARG A 60 10.546 -2.140 -2.150 1.00 0.00 N ATOM 826 CZ ARG A 60 11.829 -2.405 -1.927 1.00 0.00 C ATOM 827 NH1 ARG A 60 12.768 -1.816 -2.653 1.00 0.00 N ATOM 828 NH2 ARG A 60 12.174 -3.262 -0.974 1.00 0.00 N ATOM 0 H ARG A 60 7.146 1.954 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 60 6.211 -0.387 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.448 1.087 -2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.014 -0.045 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.062 -1.863 -2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.211 -0.568 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.298 -1.622 -4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.631 -0.274 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 60 9.849 -2.611 -1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.507 -1.157 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.752 -2.022 -2.479 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.454 -3.717 -0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.159 -3.465 -0.803 1.00 0.00 H new ATOM 842 N PHE A 61 6.166 -2.114 -0.419 1.00 0.00 N ATOM 843 CA PHE A 61 6.063 -3.131 0.621 1.00 0.00 C ATOM 844 C PHE A 61 5.732 -4.493 0.019 1.00 0.00 C ATOM 845 O PHE A 61 5.262 -4.586 -1.115 1.00 0.00 O ATOM 846 CB PHE A 61 4.995 -2.739 1.643 1.00 0.00 C ATOM 847 CG PHE A 61 3.592 -2.862 1.121 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.030 -4.108 0.894 1.00 0.00 C ATOM 849 CD2 PHE A 61 2.835 -1.732 0.857 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.739 -4.225 0.414 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.544 -1.842 0.377 1.00 0.00 C ATOM 852 CZ PHE A 61 0.995 -3.090 0.154 1.00 0.00 C ATOM 0 H PHE A 61 5.669 -2.340 -1.281 1.00 0.00 H new ATOM 0 HA PHE A 61 7.028 -3.201 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.102 -3.367 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.167 -1.711 1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.607 -4.998 1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.259 -0.754 1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.312 -5.202 0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.965 -0.953 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.013 -3.178 -0.223 1.00 0.00 H new ATOM 862 N VAL A 62 5.983 -5.549 0.786 1.00 0.00 N ATOM 863 CA VAL A 62 5.711 -6.907 0.330 1.00 0.00 C ATOM 864 C VAL A 62 4.569 -7.535 1.121 1.00 0.00 C ATOM 865 O VAL A 62 4.704 -7.860 2.301 1.00 0.00 O ATOM 866 CB VAL A 62 6.959 -7.801 0.454 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.696 -9.173 -0.147 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.156 -7.139 -0.212 1.00 0.00 C ATOM 0 H VAL A 62 6.374 -5.490 1.726 1.00 0.00 H new ATOM 0 HA VAL A 62 5.426 -6.837 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 62 7.187 -7.932 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.589 -9.790 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.868 -9.648 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.442 -9.066 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.029 -7.784 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.941 -6.976 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.357 -6.182 0.269 1.00 0.00 H new ATOM 878 N PRO A 63 3.417 -7.711 0.458 1.00 0.00 N ATOM 879 CA PRO A 63 2.228 -8.302 1.080 1.00 0.00 C ATOM 880 C PRO A 63 2.403 -9.789 1.367 1.00 0.00 C ATOM 881 O PRO A 63 3.454 -10.365 1.087 1.00 0.00 O ATOM 882 CB PRO A 63 1.134 -8.085 0.031 1.00 0.00 C ATOM 883 CG PRO A 63 1.864 -7.993 -1.264 1.00 0.00 C ATOM 884 CD PRO A 63 3.185 -7.346 -0.950 1.00 0.00 C ATOM 0 HA PRO A 63 2.006 -7.850 2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.421 -8.910 0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.568 -7.175 0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.008 -8.981 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.302 -7.402 -1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.979 -7.718 -1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.145 -6.265 -1.084 1.00 0.00 H new ATOM 892 N GLN A 64 1.367 -10.405 1.927 1.00 0.00 N ATOM 893 CA GLN A 64 1.408 -11.826 2.252 1.00 0.00 C ATOM 894 C GLN A 64 0.421 -12.610 1.393 1.00 0.00 C ATOM 895 O GLN A 64 -0.388 -12.026 0.673 1.00 0.00 O ATOM 896 CB GLN A 64 1.095 -12.041 3.734 1.00 0.00 C ATOM 897 CG GLN A 64 2.211 -11.592 4.663 1.00 0.00 C ATOM 898 CD GLN A 64 3.493 -12.374 4.456 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.715 -13.404 5.092 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.346 -11.887 3.562 1.00 0.00 N ATOM 0 H GLN A 64 0.489 -9.943 2.165 1.00 0.00 H new ATOM 0 HA GLN A 64 2.413 -12.192 2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.183 -11.499 3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.895 -13.099 3.905 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.407 -10.532 4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.885 -11.704 5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.121 -11.030 3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.226 -12.370 3.380 1.00 0.00 H new ATOM 909 N GLU A 65 0.495 -13.935 1.474 1.00 0.00 N ATOM 910 CA GLU A 65 -0.391 -14.797 0.702 1.00 0.00 C ATOM 911 C GLU A 65 -1.745 -14.943 1.391 1.00 0.00 C ATOM 912 O GLU A 65 -1.821 -15.334 2.555 1.00 0.00 O ATOM 913 CB GLU A 65 0.244 -16.176 0.507 1.00 0.00 C ATOM 914 CG GLU A 65 0.199 -17.048 1.749 1.00 0.00 C ATOM 915 CD GLU A 65 0.938 -18.360 1.568 1.00 0.00 C ATOM 916 OE1 GLU A 65 2.175 -18.371 1.734 1.00 0.00 O ATOM 917 OE2 GLU A 65 0.279 -19.375 1.261 1.00 0.00 O ATOM 0 H GLU A 65 1.159 -14.434 2.066 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.546 -14.334 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.268 -16.690 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.282 -16.048 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.634 -16.503 2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.840 -17.253 2.007 1.00 0.00 H new ATOM 924 N MET A 66 -2.810 -14.624 0.663 1.00 0.00 N ATOM 925 CA MET A 66 -4.161 -14.719 1.204 1.00 0.00 C ATOM 926 C MET A 66 -4.264 -13.991 2.541 1.00 0.00 C ATOM 927 O MET A 66 -4.736 -14.552 3.529 1.00 0.00 O ATOM 928 CB MET A 66 -4.562 -16.185 1.376 1.00 0.00 C ATOM 929 CG MET A 66 -4.539 -16.978 0.079 1.00 0.00 C ATOM 930 SD MET A 66 -2.899 -17.614 -0.317 1.00 0.00 S ATOM 931 CE MET A 66 -2.550 -16.730 -1.835 1.00 0.00 C ATOM 0 H MET A 66 -2.764 -14.298 -0.302 1.00 0.00 H new ATOM 0 HA MET A 66 -4.842 -14.244 0.498 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.888 -16.656 2.092 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.564 -16.231 1.803 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.239 -17.810 0.154 1.00 0.00 H new ATOM 0 HG3 MET A 66 -4.885 -16.343 -0.737 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.931 -17.350 -2.483 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.486 -16.496 -2.343 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.021 -15.805 -1.604 1.00 0.00 H new ATOM 941 N GLY A 67 -3.819 -12.739 2.564 1.00 0.00 N ATOM 942 CA GLY A 67 -3.870 -11.956 3.785 1.00 0.00 C ATOM 943 C GLY A 67 -4.248 -10.510 3.531 1.00 0.00 C ATOM 944 O GLY A 67 -3.641 -9.839 2.697 1.00 0.00 O ATOM 0 H GLY A 67 -3.424 -12.253 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.592 -12.402 4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.898 -11.993 4.278 1.00 0.00 H new ATOM 948 N VAL A 68 -5.255 -10.028 4.252 1.00 0.00 N ATOM 949 CA VAL A 68 -5.715 -8.653 4.101 1.00 0.00 C ATOM 950 C VAL A 68 -4.894 -7.701 4.965 1.00 0.00 C ATOM 951 O VAL A 68 -4.952 -7.755 6.193 1.00 0.00 O ATOM 952 CB VAL A 68 -7.203 -8.513 4.473 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.672 -7.081 4.270 1.00 0.00 C ATOM 954 CG2 VAL A 68 -8.048 -9.481 3.659 1.00 0.00 C ATOM 0 H VAL A 68 -5.768 -10.570 4.947 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.586 -8.390 3.051 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.321 -8.762 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.726 -7.002 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.086 -6.413 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.541 -6.800 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.097 -9.369 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.927 -9.266 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.727 -10.503 3.861 1.00 0.00 H new ATOM 964 N HIS A 69 -4.131 -6.829 4.314 1.00 0.00 N ATOM 965 CA HIS A 69 -3.298 -5.864 5.023 1.00 0.00 C ATOM 966 C HIS A 69 -3.908 -4.467 4.953 1.00 0.00 C ATOM 967 O HIS A 69 -4.791 -4.202 4.136 1.00 0.00 O ATOM 968 CB HIS A 69 -1.887 -5.847 4.435 1.00 0.00 C ATOM 969 CG HIS A 69 -1.285 -7.210 4.283 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.862 -8.207 3.524 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.150 -7.739 4.795 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.109 -9.290 3.578 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.063 -9.033 4.343 1.00 0.00 N ATOM 0 H HIS A 69 -4.072 -6.771 3.297 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.243 -6.166 6.069 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.914 -5.360 3.460 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.243 -5.244 5.075 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.734 -8.121 3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.556 -7.237 5.439 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.313 -10.227 3.081 1.00 0.00 H new ATOM 982 N THR A 70 -3.431 -3.574 5.816 1.00 0.00 N ATOM 983 CA THR A 70 -3.930 -2.206 5.853 1.00 0.00 C ATOM 984 C THR A 70 -2.782 -1.202 5.871 1.00 0.00 C ATOM 985 O THR A 70 -1.814 -1.364 6.614 1.00 0.00 O ATOM 986 CB THR A 70 -4.824 -1.967 7.085 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.576 -3.149 7.380 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.773 -0.802 6.847 1.00 0.00 C ATOM 0 H THR A 70 -2.700 -3.775 6.498 1.00 0.00 H new ATOM 0 HA THR A 70 -4.522 -2.061 4.949 1.00 0.00 H new ATOM 0 HB THR A 70 -4.182 -1.724 7.932 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.141 -2.990 8.165 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.394 -0.652 7.730 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.197 0.102 6.651 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.409 -1.020 5.989 1.00 0.00 H new ATOM 996 N VAL A 71 -2.896 -0.165 5.048 1.00 0.00 N ATOM 997 CA VAL A 71 -1.868 0.866 4.970 1.00 0.00 C ATOM 998 C VAL A 71 -2.237 2.075 5.822 1.00 0.00 C ATOM 999 O VAL A 71 -3.104 2.867 5.452 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.642 1.325 3.518 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.570 2.402 3.459 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.270 0.142 2.637 1.00 0.00 C ATOM 0 H VAL A 71 -3.690 -0.016 4.426 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.947 0.424 5.351 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.572 1.751 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.424 2.714 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.882 3.259 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.366 2.006 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.114 0.485 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.354 -0.316 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.075 -0.592 2.655 1.00 0.00 H new ATOM 1012 N SER A 72 -1.573 2.212 6.966 1.00 0.00 N ATOM 1013 CA SER A 72 -1.834 3.323 7.873 1.00 0.00 C ATOM 1014 C SER A 72 -0.934 4.511 7.549 1.00 0.00 C ATOM 1015 O SER A 72 0.290 4.423 7.647 1.00 0.00 O ATOM 1016 CB SER A 72 -1.618 2.886 9.323 1.00 0.00 C ATOM 1017 OG SER A 72 -2.487 1.822 9.670 1.00 0.00 O ATOM 0 H SER A 72 -0.850 1.567 7.286 1.00 0.00 H new ATOM 0 HA SER A 72 -2.872 3.630 7.744 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.583 2.574 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.788 3.731 9.990 1.00 0.00 H new ATOM 0 HG SER A 72 -2.328 1.560 10.601 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.550 5.624 7.161 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.806 6.831 6.823 1.00 0.00 C ATOM 1025 C VAL A 73 -1.323 8.033 7.606 1.00 0.00 C ATOM 1026 O VAL A 73 -2.318 8.652 7.229 1.00 0.00 O ATOM 1027 CB VAL A 73 -0.891 7.139 5.316 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.058 8.365 4.974 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.443 5.936 4.500 1.00 0.00 C ATOM 0 H VAL A 73 -2.562 5.714 7.073 1.00 0.00 H new ATOM 0 HA VAL A 73 0.234 6.647 7.091 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.930 7.353 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.130 8.567 3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.430 9.225 5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.983 8.183 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.510 6.172 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.588 5.688 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.086 5.085 4.724 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.641 8.358 8.699 1.00 0.00 N ATOM 1040 CA LYS A 74 -1.029 9.487 9.536 1.00 0.00 C ATOM 1041 C LYS A 74 -0.057 10.650 9.366 1.00 0.00 C ATOM 1042 O LYS A 74 1.079 10.463 8.929 1.00 0.00 O ATOM 1043 CB LYS A 74 -1.081 9.063 11.006 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.426 8.497 11.428 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.703 8.755 12.899 1.00 0.00 C ATOM 1046 CE LYS A 74 -1.923 7.799 13.789 1.00 0.00 C ATOM 1047 NZ LYS A 74 -2.535 7.677 15.141 1.00 0.00 N ATOM 0 H LYS A 74 0.184 7.855 9.026 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.020 9.816 9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.309 8.316 11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.846 9.923 11.632 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.216 8.944 10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.447 7.424 11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.437 9.783 13.146 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.770 8.647 13.094 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.882 6.817 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.895 8.149 13.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.975 7.017 15.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.551 8.610 15.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.507 7.319 15.051 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.510 11.849 9.714 1.00 0.00 N ATOM 1062 CA TYR A 75 0.320 13.042 9.599 1.00 0.00 C ATOM 1063 C TYR A 75 0.214 13.903 10.854 1.00 0.00 C ATOM 1064 O TYR A 75 -0.798 14.565 11.083 1.00 0.00 O ATOM 1065 CB TYR A 75 -0.091 13.858 8.372 1.00 0.00 C ATOM 1066 CG TYR A 75 0.838 15.014 8.074 1.00 0.00 C ATOM 1067 CD1 TYR A 75 0.695 16.232 8.726 1.00 0.00 C ATOM 1068 CD2 TYR A 75 1.859 14.886 7.140 1.00 0.00 C ATOM 1069 CE1 TYR A 75 1.540 17.290 8.457 1.00 0.00 C ATOM 1070 CE2 TYR A 75 2.710 15.939 6.865 1.00 0.00 C ATOM 1071 CZ TYR A 75 2.547 17.139 7.525 1.00 0.00 C ATOM 1072 OH TYR A 75 3.392 18.190 7.255 1.00 0.00 O ATOM 0 H TYR A 75 -1.447 12.021 10.078 1.00 0.00 H new ATOM 0 HA TYR A 75 1.356 12.723 9.485 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.128 13.200 7.504 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.099 14.243 8.523 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.091 16.354 9.456 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.989 13.948 6.621 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.414 18.230 8.973 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.499 15.823 6.137 1.00 0.00 H new ATOM 0 HH TYR A 75 4.240 18.057 7.727 1.00 0.00 H new ATOM 1082 N ARG A 76 1.268 13.888 11.664 1.00 0.00 N ATOM 1083 CA ARG A 76 1.295 14.666 12.897 1.00 0.00 C ATOM 1084 C ARG A 76 0.208 14.197 13.859 1.00 0.00 C ATOM 1085 O ARG A 76 -0.268 14.963 14.696 1.00 0.00 O ATOM 1086 CB ARG A 76 1.112 16.154 12.590 1.00 0.00 C ATOM 1087 CG ARG A 76 2.415 16.878 12.292 1.00 0.00 C ATOM 1088 CD ARG A 76 2.274 18.380 12.487 1.00 0.00 C ATOM 1089 NE ARG A 76 1.899 18.720 13.857 1.00 0.00 N ATOM 1090 CZ ARG A 76 2.765 18.789 14.861 1.00 0.00 C ATOM 1091 NH1 ARG A 76 4.051 18.543 14.650 1.00 0.00 N ATOM 1092 NH2 ARG A 76 2.347 19.106 16.080 1.00 0.00 N ATOM 0 H ARG A 76 2.114 13.346 11.489 1.00 0.00 H new ATOM 0 HA ARG A 76 2.265 14.516 13.371 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.443 16.261 11.736 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.625 16.634 13.439 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.201 16.497 12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.722 16.670 11.267 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.216 18.868 12.237 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.522 18.766 11.799 1.00 0.00 H new ATOM 0 HE ARG A 76 0.917 18.915 14.053 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.377 18.300 13.715 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.714 18.597 15.423 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.359 19.297 16.247 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.014 19.159 16.850 1.00 0.00 H new ATOM 1106 N GLY A 77 -0.181 12.931 13.734 1.00 0.00 N ATOM 1107 CA GLY A 77 -1.209 12.382 14.598 1.00 0.00 C ATOM 1108 C GLY A 77 -2.605 12.603 14.051 1.00 0.00 C ATOM 1109 O GLY A 77 -3.540 12.865 14.808 1.00 0.00 O ATOM 0 H GLY A 77 0.198 12.276 13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.038 11.313 14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.132 12.839 15.585 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.746 12.500 12.734 1.00 0.00 N ATOM 1114 CA GLN A 78 -4.039 12.693 12.087 1.00 0.00 C ATOM 1115 C GLN A 78 -4.137 11.868 10.808 1.00 0.00 C ATOM 1116 O GLN A 78 -3.293 11.980 9.918 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.258 14.174 11.770 1.00 0.00 C ATOM 1118 CG GLN A 78 -3.727 14.589 10.407 1.00 0.00 C ATOM 1119 CD GLN A 78 -3.517 16.086 10.295 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -3.164 16.750 11.270 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -3.734 16.627 9.101 1.00 0.00 N ATOM 0 H GLN A 78 -1.982 12.284 12.094 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.815 12.357 12.775 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.325 14.393 11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.774 14.777 12.538 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.783 14.078 10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.425 14.265 9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.026 16.039 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.609 17.630 8.965 1.00 0.00 H new ATOM 1130 N HIS A 79 -5.171 11.037 10.724 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.379 10.192 9.553 1.00 0.00 C ATOM 1132 C HIS A 79 -5.860 11.019 8.365 1.00 0.00 C ATOM 1133 O HIS A 79 -6.883 11.699 8.442 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.393 9.091 9.867 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.791 7.899 10.545 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -5.120 6.905 9.866 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.761 7.546 11.852 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.704 5.991 10.724 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.081 6.356 11.936 1.00 0.00 N ATOM 0 H HIS A 79 -5.877 10.931 11.452 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.425 9.734 9.292 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.178 9.502 10.502 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.868 8.770 8.940 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.192 8.097 12.675 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.150 5.098 10.477 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.897 5.838 12.795 1.00 0.00 H new ATOM 1148 N VAL A 80 -5.114 10.957 7.266 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.465 11.699 6.061 1.00 0.00 C ATOM 1150 C VAL A 80 -6.720 11.129 5.409 1.00 0.00 C ATOM 1151 O VAL A 80 -7.161 10.029 5.743 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.315 11.681 5.037 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -3.052 12.276 5.641 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -4.063 10.265 4.543 1.00 0.00 C ATOM 0 H VAL A 80 -4.263 10.401 7.186 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.654 12.728 6.367 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.604 12.293 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.251 12.255 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.242 13.307 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.757 11.694 6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.247 10.272 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.796 9.628 5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.965 9.879 4.068 1.00 0.00 H new ATOM 1164 N THR A 81 -7.291 11.885 4.477 1.00 0.00 N ATOM 1165 CA THR A 81 -8.496 11.456 3.778 1.00 0.00 C ATOM 1166 C THR A 81 -8.296 10.095 3.121 1.00 0.00 C ATOM 1167 O THR A 81 -7.358 9.899 2.350 1.00 0.00 O ATOM 1168 CB THR A 81 -8.915 12.476 2.703 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.943 13.794 3.262 1.00 0.00 O ATOM 1170 CG2 THR A 81 -10.283 12.131 2.134 1.00 0.00 C ATOM 0 H THR A 81 -6.938 12.798 4.189 1.00 0.00 H new ATOM 0 HA THR A 81 -9.286 11.382 4.526 1.00 0.00 H new ATOM 0 HB THR A 81 -8.184 12.441 1.895 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.209 14.437 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.558 12.865 1.377 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.250 11.139 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.023 12.141 2.934 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.185 9.156 3.432 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.088 7.825 2.862 1.00 0.00 C ATOM 1180 C GLY A 82 -8.372 6.853 3.779 1.00 0.00 C ATOM 1181 O GLY A 82 -8.878 5.766 4.058 1.00 0.00 O ATOM 0 H GLY A 82 -9.970 9.294 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.089 7.450 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.560 7.878 1.910 1.00 0.00 H new ATOM 1185 N SER A 83 -7.191 7.243 4.246 1.00 0.00 N ATOM 1186 CA SER A 83 -6.401 6.396 5.132 1.00 0.00 C ATOM 1187 C SER A 83 -7.088 6.237 6.486 1.00 0.00 C ATOM 1188 O SER A 83 -7.783 7.131 6.967 1.00 0.00 O ATOM 1189 CB SER A 83 -5.002 6.985 5.323 1.00 0.00 C ATOM 1190 OG SER A 83 -4.390 6.474 6.495 1.00 0.00 O ATOM 0 H SER A 83 -6.760 8.141 4.026 1.00 0.00 H new ATOM 0 HA SER A 83 -6.313 5.412 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.384 6.753 4.455 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.067 8.071 5.387 1.00 0.00 H new ATOM 0 HG SER A 83 -3.825 7.166 6.897 1.00 0.00 H new ATOM 1196 N PRO A 84 -6.888 5.069 7.116 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.063 3.997 6.553 1.00 0.00 C ATOM 1198 C PRO A 84 -6.712 3.342 5.338 1.00 0.00 C ATOM 1199 O PRO A 84 -7.937 3.319 5.214 1.00 0.00 O ATOM 1200 CB PRO A 84 -5.950 2.994 7.704 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.162 3.236 8.536 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.453 4.707 8.426 1.00 0.00 C ATOM 0 HA PRO A 84 -5.102 4.368 6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.921 1.969 7.335 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.037 3.152 8.279 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.005 2.644 8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.987 2.949 9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.523 4.910 8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.987 5.270 9.234 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.884 2.812 4.444 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.378 2.157 3.239 1.00 0.00 C ATOM 1212 C PHE A 85 -6.232 0.642 3.344 1.00 0.00 C ATOM 1213 O PHE A 85 -5.120 0.118 3.401 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.625 2.669 2.009 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.794 4.143 1.773 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.883 4.622 1.062 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.866 5.048 2.261 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -7.041 5.978 0.842 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -5.019 6.404 2.045 1.00 0.00 C ATOM 1220 CZ PHE A 85 -6.109 6.870 1.335 1.00 0.00 C ATOM 0 H PHE A 85 -4.868 2.823 4.531 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.436 2.396 3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.564 2.447 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.971 2.126 1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.616 3.929 0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.012 4.689 2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.893 6.339 0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.288 7.099 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.232 7.930 1.166 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.364 -0.055 3.370 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.362 -1.510 3.470 1.00 0.00 C ATOM 1232 C GLN A 86 -7.359 -2.150 2.086 1.00 0.00 C ATOM 1233 O GLN A 86 -8.022 -1.670 1.166 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.579 -1.989 4.263 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.480 -3.437 4.714 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.835 -4.108 4.824 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.140 -5.042 4.082 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.656 -3.635 5.754 1.00 0.00 N ATOM 0 H GLN A 86 -8.293 0.364 3.323 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.454 -1.812 3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.705 -1.352 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.472 -1.868 3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.860 -3.991 4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.978 -3.479 5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.362 -2.859 6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.581 -4.048 5.875 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.607 -3.237 1.944 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.516 -3.943 0.672 1.00 0.00 C ATOM 1249 C PHE A 87 -6.276 -5.434 0.893 1.00 0.00 C ATOM 1250 O PHE A 87 -5.558 -5.830 1.812 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.392 -3.355 -0.183 1.00 0.00 C ATOM 1252 CG PHE A 87 -4.017 -3.708 0.310 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.509 -4.985 0.131 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.233 -2.763 0.951 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.245 -5.312 0.584 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.968 -3.085 1.406 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.473 -4.361 1.221 1.00 0.00 C ATOM 0 H PHE A 87 -6.052 -3.648 2.695 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.464 -3.819 0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.503 -3.708 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.494 -2.270 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.108 -5.733 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.614 -1.763 1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.861 -6.311 0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.367 -2.339 1.906 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.484 -4.614 1.574 1.00 0.00 H new ATOM 1267 N THR A 88 -6.882 -6.258 0.043 1.00 0.00 N ATOM 1268 CA THR A 88 -6.736 -7.704 0.145 1.00 0.00 C ATOM 1269 C THR A 88 -5.746 -8.231 -0.887 1.00 0.00 C ATOM 1270 O THR A 88 -5.651 -7.705 -1.996 1.00 0.00 O ATOM 1271 CB THR A 88 -8.087 -8.419 -0.043 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.002 -8.017 0.983 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.909 -9.930 -0.007 1.00 0.00 C ATOM 0 H THR A 88 -7.479 -5.948 -0.724 1.00 0.00 H new ATOM 0 HA THR A 88 -6.359 -7.914 1.146 1.00 0.00 H new ATOM 0 HB THR A 88 -8.488 -8.139 -1.017 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.859 -8.475 0.855 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.876 -10.414 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.236 -10.236 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.487 -10.224 0.954 1.00 0.00 H new ATOM 1281 N VAL A 89 -5.011 -9.275 -0.517 1.00 0.00 N ATOM 1282 CA VAL A 89 -4.029 -9.875 -1.412 1.00 0.00 C ATOM 1283 C VAL A 89 -4.530 -11.204 -1.965 1.00 0.00 C ATOM 1284 O VAL A 89 -5.111 -12.011 -1.240 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.684 -10.103 -0.698 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.705 -10.816 -1.618 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.107 -8.781 -0.214 1.00 0.00 C ATOM 0 H VAL A 89 -5.077 -9.723 0.397 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.881 -9.175 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.857 -10.738 0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.760 -10.968 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.118 -11.781 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.534 -10.210 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.156 -8.961 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.948 -8.120 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.803 -8.314 0.483 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.302 -11.426 -3.256 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.736 -12.659 -3.886 1.00 0.00 C ATOM 1299 C GLY A 90 -3.573 -13.526 -4.325 1.00 0.00 C ATOM 1300 O GLY A 90 -2.460 -13.417 -3.811 1.00 0.00 O ATOM 0 H GLY A 90 -3.824 -10.773 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.360 -13.219 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.356 -12.423 -4.751 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.826 -14.413 -5.299 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.804 -15.321 -5.829 1.00 0.00 C ATOM 1306 C PRO A 91 -1.741 -14.587 -6.639 1.00 0.00 C ATOM 1307 O PRO A 91 -2.043 -13.640 -7.366 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.602 -16.268 -6.728 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.806 -15.487 -7.128 1.00 0.00 C ATOM 1310 CD PRO A 91 -5.129 -14.598 -5.959 1.00 0.00 C ATOM 0 HA PRO A 91 -2.257 -15.827 -5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.020 -16.572 -7.598 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.879 -17.178 -6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.609 -14.898 -8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.641 -16.148 -7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.554 -13.648 -6.282 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.855 -15.061 -5.291 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.495 -15.030 -6.510 1.00 0.00 N ATOM 1319 CA LEU A 92 0.614 -14.415 -7.232 1.00 0.00 C ATOM 1320 C LEU A 92 0.283 -14.264 -8.713 1.00 0.00 C ATOM 1321 O LEU A 92 0.329 -13.164 -9.261 1.00 0.00 O ATOM 1322 CB LEU A 92 1.884 -15.251 -7.063 1.00 0.00 C ATOM 1323 CG LEU A 92 2.997 -14.994 -8.080 1.00 0.00 C ATOM 1324 CD1 LEU A 92 4.349 -15.375 -7.498 1.00 0.00 C ATOM 1325 CD2 LEU A 92 2.732 -15.761 -9.367 1.00 0.00 C ATOM 0 H LEU A 92 -0.227 -15.812 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 92 0.782 -13.422 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.283 -15.072 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.610 -16.305 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 92 3.012 -13.929 -8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.129 -15.186 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.541 -14.780 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.347 -16.433 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.534 -15.566 -10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.689 -16.829 -9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.782 -15.439 -9.794 1.00 0.00 H new