USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 33 THR OG1 : rot 36:sc= 0.23 USER MOD Set 1.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 31 LYS NZ :NH3+ 173:sc= 0.287 (180deg=-0.0536) USER MOD Set 2.2: A 32 HIS : no HE2:sc= -0.872 K(o=-0.58,f=-3.1) USER MOD Single : A 12 HIS : no HD1:sc= -0.87 K(o=-0.87,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= 1.15 K(o=1.1,f=-2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0767 X(o=-0.077,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= -0.104 (180deg=-1.55!) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= -0.0329 (180deg=-0.189) USER MOD Single : A 39 MET CE :methyl -170:sc= 0 (180deg=-0.155) USER MOD Single : A 40 ASN : amide:sc= -0.47 K(o=-0.47,f=-4.5!) USER MOD Single : A 42 TYR OH : rot -71:sc= 0.174 USER MOD Single : A 43 CYS SG : rot 75:sc= 0.79 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -162:sc= -0.259 (180deg=-0.928) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 63 ASN : amide:sc= 0.384 X(o=0.38,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.949 K(o=0.95,f=-0.00034) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 50:sc= 0.276 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0875 K(o=-0.087,f=-1.6!) USER MOD Single : A 84 GLN : amide:sc=-0.00542 X(o=-0.0054,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 145 N GLU A 11 15.292 -9.965 -5.197 1.00 0.00 N ATOM 146 CA GLU A 11 13.974 -10.271 -4.678 1.00 0.00 C ATOM 147 C GLU A 11 13.038 -9.095 -4.890 1.00 0.00 C ATOM 148 O GLU A 11 13.465 -7.959 -5.104 1.00 0.00 O ATOM 149 CB GLU A 11 13.997 -10.711 -3.189 1.00 0.00 C ATOM 150 CG GLU A 11 13.789 -12.241 -3.027 1.00 0.00 C ATOM 151 CD GLU A 11 12.406 -12.710 -3.469 1.00 0.00 C ATOM 152 OE1 GLU A 11 11.536 -11.856 -3.785 1.00 0.00 O ATOM 153 OE2 GLU A 11 12.201 -13.944 -3.593 1.00 0.00 O ATOM 0 HA GLU A 11 13.599 -11.127 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.950 -10.426 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.217 -10.180 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.547 -12.768 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.941 -12.513 -1.983 1.00 0.00 H new ATOM 160 N HIS A 12 11.725 -9.370 -4.869 1.00 0.00 N ATOM 161 CA HIS A 12 10.678 -8.469 -5.313 1.00 0.00 C ATOM 162 C HIS A 12 9.326 -9.031 -4.876 1.00 0.00 C ATOM 163 O HIS A 12 8.828 -9.989 -5.460 1.00 0.00 O ATOM 164 CB HIS A 12 10.716 -8.320 -6.866 1.00 0.00 C ATOM 165 CG HIS A 12 10.388 -6.945 -7.370 1.00 0.00 C ATOM 166 ND1 HIS A 12 9.301 -6.211 -6.958 1.00 0.00 N ATOM 167 CD2 HIS A 12 11.053 -6.159 -8.260 1.00 0.00 C ATOM 168 CE1 HIS A 12 9.360 -5.018 -7.599 1.00 0.00 C ATOM 169 NE2 HIS A 12 10.414 -4.937 -8.388 1.00 0.00 N ATOM 0 H HIS A 12 11.362 -10.260 -4.528 1.00 0.00 H new ATOM 0 HA HIS A 12 10.831 -7.485 -4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.710 -8.595 -7.220 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.014 -9.030 -7.303 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.949 -6.447 -8.790 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.632 -4.229 -7.478 1.00 0.00 H new ATOM 0 HE2 HIS A 12 10.697 -4.146 -8.967 1.00 0.00 H new ATOM 177 N ILE A 13 8.690 -8.491 -3.820 1.00 0.00 N ATOM 178 CA ILE A 13 7.582 -9.179 -3.159 1.00 0.00 C ATOM 179 C ILE A 13 6.220 -8.670 -3.606 1.00 0.00 C ATOM 180 O ILE A 13 6.067 -7.528 -4.041 1.00 0.00 O ATOM 181 CB ILE A 13 7.706 -9.163 -1.641 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.549 -7.749 -1.036 1.00 0.00 C ATOM 183 CG2 ILE A 13 9.059 -9.816 -1.279 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.468 -7.766 0.493 1.00 0.00 C ATOM 0 H ILE A 13 8.927 -7.586 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 13 7.654 -10.219 -3.479 1.00 0.00 H new ATOM 0 HB ILE A 13 6.887 -9.733 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.392 -7.131 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.649 -7.284 -1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.182 -9.822 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.080 -10.840 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.870 -9.248 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.358 -6.747 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.609 -8.360 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.379 -8.204 0.901 1.00 0.00 H new ATOM 196 N ASN A 14 5.192 -9.534 -3.544 1.00 0.00 N ATOM 197 CA ASN A 14 3.866 -9.263 -4.071 1.00 0.00 C ATOM 198 C ASN A 14 2.941 -8.642 -3.030 1.00 0.00 C ATOM 199 O ASN A 14 2.846 -9.120 -1.909 1.00 0.00 O ATOM 200 CB ASN A 14 3.230 -10.572 -4.600 1.00 0.00 C ATOM 201 CG ASN A 14 4.012 -11.048 -5.820 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.897 -10.460 -6.901 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.816 -12.121 -5.664 1.00 0.00 N ATOM 0 H ASN A 14 5.273 -10.456 -3.115 1.00 0.00 H new ATOM 0 HA ASN A 14 3.986 -8.544 -4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.242 -11.337 -3.823 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.186 -10.403 -4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.355 -12.473 -6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.884 -12.579 -4.755 1.00 0.00 H new ATOM 210 N LEU A 15 2.224 -7.566 -3.394 1.00 0.00 N ATOM 211 CA LEU A 15 1.333 -6.816 -2.517 1.00 0.00 C ATOM 212 C LEU A 15 -0.089 -7.036 -2.997 1.00 0.00 C ATOM 213 O LEU A 15 -0.336 -7.018 -4.199 1.00 0.00 O ATOM 214 CB LEU A 15 1.644 -5.291 -2.611 1.00 0.00 C ATOM 215 CG LEU A 15 2.730 -4.743 -1.652 1.00 0.00 C ATOM 216 CD1 LEU A 15 2.099 -4.152 -0.382 1.00 0.00 C ATOM 217 CD2 LEU A 15 3.829 -5.747 -1.286 1.00 0.00 C ATOM 0 H LEU A 15 2.255 -7.188 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 15 1.466 -7.151 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.949 -5.068 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.720 -4.743 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 15 3.229 -3.955 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.884 -3.775 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.430 -3.335 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.534 -4.926 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.543 -5.275 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.383 -6.612 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.343 -6.070 -2.191 1.00 0.00 H new ATOM 229 N LYS A 16 -1.077 -7.242 -2.107 1.00 0.00 N ATOM 230 CA LYS A 16 -2.465 -7.431 -2.498 1.00 0.00 C ATOM 231 C LYS A 16 -3.367 -6.352 -1.930 1.00 0.00 C ATOM 232 O LYS A 16 -3.554 -6.229 -0.722 1.00 0.00 O ATOM 233 CB LYS A 16 -3.021 -8.797 -2.035 1.00 0.00 C ATOM 234 CG LYS A 16 -2.355 -9.998 -2.715 1.00 0.00 C ATOM 235 CD LYS A 16 -3.083 -11.297 -2.343 1.00 0.00 C ATOM 236 CE LYS A 16 -2.398 -12.554 -2.871 1.00 0.00 C ATOM 237 NZ LYS A 16 -3.219 -13.736 -2.567 1.00 0.00 N ATOM 0 H LYS A 16 -0.924 -7.280 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.465 -7.382 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.892 -8.885 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.093 -8.828 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.367 -9.864 -3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.309 -10.061 -2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.159 -11.363 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.101 -11.257 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.247 -12.472 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.412 -12.659 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.747 -14.589 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.341 -13.819 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.150 -13.637 -3.019 1.00 0.00 H new ATOM 251 N VAL A 17 -3.997 -5.555 -2.801 1.00 0.00 N ATOM 252 CA VAL A 17 -4.951 -4.538 -2.402 1.00 0.00 C ATOM 253 C VAL A 17 -6.351 -5.132 -2.384 1.00 0.00 C ATOM 254 O VAL A 17 -6.844 -5.608 -3.406 1.00 0.00 O ATOM 255 CB VAL A 17 -4.905 -3.334 -3.339 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.869 -2.238 -2.847 1.00 0.00 C ATOM 257 CG2 VAL A 17 -3.465 -2.785 -3.381 1.00 0.00 C ATOM 0 H VAL A 17 -3.851 -5.606 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.686 -4.193 -1.403 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.212 -3.642 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.826 -1.385 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.885 -2.631 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.579 -1.921 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.423 -1.924 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.162 -2.482 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.791 -3.560 -3.746 1.00 0.00 H new ATOM 267 N LEU A 18 -7.018 -5.125 -1.212 1.00 0.00 N ATOM 268 CA LEU A 18 -8.378 -5.604 -1.046 1.00 0.00 C ATOM 269 C LEU A 18 -9.338 -4.432 -0.883 1.00 0.00 C ATOM 270 O LEU A 18 -9.468 -3.852 0.196 1.00 0.00 O ATOM 271 CB LEU A 18 -8.517 -6.518 0.203 1.00 0.00 C ATOM 272 CG LEU A 18 -7.591 -7.753 0.244 1.00 0.00 C ATOM 273 CD1 LEU A 18 -7.859 -8.559 1.524 1.00 0.00 C ATOM 274 CD2 LEU A 18 -7.757 -8.659 -0.980 1.00 0.00 C ATOM 0 H LEU A 18 -6.606 -4.777 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.622 -6.178 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.327 -5.916 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.550 -6.861 0.265 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.565 -7.385 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.204 -9.430 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.665 -7.933 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.899 -8.887 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.082 -9.510 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.786 -9.016 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.522 -8.096 -1.884 1.00 0.00 H new ATOM 286 N GLY A 19 -10.059 -4.045 -1.949 1.00 0.00 N ATOM 287 CA GLY A 19 -10.990 -2.922 -1.904 1.00 0.00 C ATOM 288 C GLY A 19 -12.380 -3.300 -1.467 1.00 0.00 C ATOM 289 O GLY A 19 -12.951 -4.305 -1.886 1.00 0.00 O ATOM 0 H GLY A 19 -10.008 -4.504 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.599 -2.165 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.042 -2.466 -2.893 1.00 0.00 H new ATOM 293 N GLN A 20 -13.015 -2.457 -0.630 1.00 0.00 N ATOM 294 CA GLN A 20 -14.415 -2.600 -0.250 1.00 0.00 C ATOM 295 C GLN A 20 -15.395 -2.332 -1.403 1.00 0.00 C ATOM 296 O GLN A 20 -16.585 -2.628 -1.314 1.00 0.00 O ATOM 297 CB GLN A 20 -14.684 -1.729 1.012 1.00 0.00 C ATOM 298 CG GLN A 20 -16.149 -1.569 1.523 1.00 0.00 C ATOM 299 CD GLN A 20 -16.953 -2.822 1.904 1.00 0.00 C ATOM 300 OE1 GLN A 20 -18.176 -2.705 2.056 1.00 0.00 O ATOM 301 NE2 GLN A 20 -16.321 -3.998 2.096 1.00 0.00 N ATOM 0 H GLN A 20 -12.557 -1.653 -0.200 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.603 -3.644 0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.094 -2.143 1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.295 -0.731 0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.122 -0.919 2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.710 -1.042 0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -15.312 -4.062 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.852 -4.823 2.374 1.00 0.00 H new ATOM 310 N ASP A 21 -14.918 -1.850 -2.572 1.00 0.00 N ATOM 311 CA ASP A 21 -15.689 -1.821 -3.804 1.00 0.00 C ATOM 312 C ASP A 21 -15.742 -3.188 -4.503 1.00 0.00 C ATOM 313 O ASP A 21 -16.396 -3.342 -5.538 1.00 0.00 O ATOM 314 CB ASP A 21 -15.127 -0.722 -4.747 1.00 0.00 C ATOM 315 CG ASP A 21 -13.775 -1.050 -5.344 1.00 0.00 C ATOM 316 OD1 ASP A 21 -12.868 -1.523 -4.619 1.00 0.00 O ATOM 317 OD2 ASP A 21 -13.619 -0.832 -6.577 1.00 0.00 O ATOM 0 H ASP A 21 -13.977 -1.470 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.720 -1.578 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.838 -0.554 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.050 0.213 -4.192 1.00 0.00 H new ATOM 322 N ASN A 22 -15.027 -4.182 -3.930 1.00 0.00 N ATOM 323 CA ASN A 22 -14.900 -5.577 -4.313 1.00 0.00 C ATOM 324 C ASN A 22 -13.685 -5.813 -5.209 1.00 0.00 C ATOM 325 O ASN A 22 -13.440 -6.936 -5.648 1.00 0.00 O ATOM 326 CB ASN A 22 -16.209 -6.208 -4.892 1.00 0.00 C ATOM 327 CG ASN A 22 -16.489 -7.634 -4.416 1.00 0.00 C ATOM 328 OD1 ASN A 22 -17.585 -7.921 -3.931 1.00 0.00 O ATOM 329 ND2 ASN A 22 -15.515 -8.553 -4.558 1.00 0.00 N ATOM 0 H ASN A 22 -14.470 -3.988 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.727 -6.118 -3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.054 -5.575 -4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.147 -6.207 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.675 -9.516 -4.261 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.618 -8.287 -4.963 1.00 0.00 H new ATOM 336 N ALA A 23 -12.868 -4.784 -5.510 1.00 0.00 N ATOM 337 CA ALA A 23 -11.702 -4.939 -6.356 1.00 0.00 C ATOM 338 C ALA A 23 -10.507 -5.544 -5.616 1.00 0.00 C ATOM 339 O ALA A 23 -10.036 -5.017 -4.611 1.00 0.00 O ATOM 340 CB ALA A 23 -11.310 -3.575 -6.951 1.00 0.00 C ATOM 0 H ALA A 23 -13.010 -3.833 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.971 -5.636 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.433 -3.694 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.138 -3.185 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.082 -2.878 -6.144 1.00 0.00 H new ATOM 346 N VAL A 24 -9.989 -6.690 -6.106 1.00 0.00 N ATOM 347 CA VAL A 24 -8.821 -7.348 -5.530 1.00 0.00 C ATOM 348 C VAL A 24 -7.686 -7.321 -6.536 1.00 0.00 C ATOM 349 O VAL A 24 -7.728 -7.987 -7.573 1.00 0.00 O ATOM 350 CB VAL A 24 -9.122 -8.770 -5.075 1.00 0.00 C ATOM 351 CG1 VAL A 24 -7.839 -9.503 -4.628 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.123 -8.676 -3.905 1.00 0.00 C ATOM 0 H VAL A 24 -10.377 -7.177 -6.914 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.526 -6.800 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.541 -9.344 -5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.090 -10.515 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.137 -9.548 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.383 -8.964 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.364 -9.678 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.680 -8.101 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.034 -8.183 -4.244 1.00 0.00 H new ATOM 362 N VAL A 25 -6.637 -6.525 -6.272 1.00 0.00 N ATOM 363 CA VAL A 25 -5.578 -6.278 -7.241 1.00 0.00 C ATOM 364 C VAL A 25 -4.216 -6.582 -6.637 1.00 0.00 C ATOM 365 O VAL A 25 -3.887 -6.136 -5.539 1.00 0.00 O ATOM 366 CB VAL A 25 -5.606 -4.849 -7.773 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.626 -4.717 -8.953 1.00 0.00 C ATOM 368 CG2 VAL A 25 -7.027 -4.494 -8.263 1.00 0.00 C ATOM 0 H VAL A 25 -6.507 -6.041 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.755 -6.947 -8.083 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.316 -4.170 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.648 -3.695 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.617 -4.958 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.918 -5.404 -9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.037 -3.472 -8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.319 -5.178 -9.060 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.730 -4.581 -7.435 1.00 0.00 H new ATOM 378 N GLN A 26 -3.373 -7.371 -7.338 1.00 0.00 N ATOM 379 CA GLN A 26 -2.021 -7.670 -6.897 1.00 0.00 C ATOM 380 C GLN A 26 -0.985 -6.768 -7.568 1.00 0.00 C ATOM 381 O GLN A 26 -0.935 -6.658 -8.790 1.00 0.00 O ATOM 382 CB GLN A 26 -1.668 -9.160 -7.146 1.00 0.00 C ATOM 383 CG GLN A 26 -0.335 -9.594 -6.487 1.00 0.00 C ATOM 384 CD GLN A 26 -0.085 -11.096 -6.629 1.00 0.00 C ATOM 385 OE1 GLN A 26 -0.785 -11.930 -6.052 1.00 0.00 O ATOM 386 NE2 GLN A 26 0.977 -11.466 -7.379 1.00 0.00 N ATOM 0 H GLN A 26 -3.624 -7.811 -8.223 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.991 -7.474 -5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.475 -9.786 -6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.609 -9.337 -8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.489 -9.045 -6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.350 -9.328 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.542 -10.758 -7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.213 -12.453 -7.476 1.00 0.00 H new ATOM 395 N PHE A 27 -0.118 -6.108 -6.779 1.00 0.00 N ATOM 396 CA PHE A 27 0.991 -5.286 -7.247 1.00 0.00 C ATOM 397 C PHE A 27 2.300 -5.912 -6.772 1.00 0.00 C ATOM 398 O PHE A 27 2.307 -6.991 -6.185 1.00 0.00 O ATOM 399 CB PHE A 27 0.897 -3.829 -6.706 1.00 0.00 C ATOM 400 CG PHE A 27 -0.378 -3.119 -7.094 1.00 0.00 C ATOM 401 CD1 PHE A 27 -0.969 -3.265 -8.364 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.965 -2.224 -6.182 1.00 0.00 C ATOM 403 CE1 PHE A 27 -2.123 -2.550 -8.704 1.00 0.00 C ATOM 404 CE2 PHE A 27 -2.123 -1.510 -6.519 1.00 0.00 C ATOM 405 CZ PHE A 27 -2.707 -1.681 -7.778 1.00 0.00 C ATOM 0 H PHE A 27 -0.181 -6.140 -5.761 1.00 0.00 H new ATOM 0 HA PHE A 27 0.951 -5.244 -8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.975 -3.849 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.748 -3.258 -7.077 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.526 -3.937 -9.084 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.518 -2.085 -5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.563 -2.670 -9.683 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.564 -0.828 -5.807 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.607 -1.143 -8.034 1.00 0.00 H new ATOM 415 N LYS A 28 3.464 -5.267 -7.007 1.00 0.00 N ATOM 416 CA LYS A 28 4.735 -5.822 -6.569 1.00 0.00 C ATOM 417 C LYS A 28 5.721 -4.728 -6.164 1.00 0.00 C ATOM 418 O LYS A 28 5.907 -3.738 -6.871 1.00 0.00 O ATOM 419 CB LYS A 28 5.339 -6.709 -7.690 1.00 0.00 C ATOM 420 CG LYS A 28 6.248 -7.840 -7.181 1.00 0.00 C ATOM 421 CD LYS A 28 7.085 -8.565 -8.258 1.00 0.00 C ATOM 422 CE LYS A 28 6.346 -9.592 -9.125 1.00 0.00 C ATOM 423 NZ LYS A 28 5.393 -8.912 -10.012 1.00 0.00 N ATOM 0 H LYS A 28 3.536 -4.373 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 28 4.548 -6.434 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.526 -7.145 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.911 -6.077 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.928 -7.427 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.628 -8.578 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.519 -7.812 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.914 -9.071 -7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.062 -10.162 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.819 -10.304 -8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.333 -9.424 -10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.455 -8.891 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.715 -7.939 -10.187 1.00 0.00 H new ATOM 437 N ILE A 29 6.391 -4.869 -5.002 1.00 0.00 N ATOM 438 CA ILE A 29 7.329 -3.872 -4.495 1.00 0.00 C ATOM 439 C ILE A 29 8.737 -4.438 -4.379 1.00 0.00 C ATOM 440 O ILE A 29 8.972 -5.578 -3.972 1.00 0.00 O ATOM 441 CB ILE A 29 6.872 -3.244 -3.173 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.651 -1.944 -2.847 1.00 0.00 C ATOM 443 CG2 ILE A 29 6.939 -4.270 -2.022 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.139 -1.215 -1.599 1.00 0.00 C ATOM 0 H ILE A 29 6.290 -5.682 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 29 7.348 -3.068 -5.231 1.00 0.00 H new ATOM 0 HB ILE A 29 5.828 -2.952 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.704 -2.187 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.589 -1.270 -3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.610 -3.799 -1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.290 -5.116 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.965 -4.621 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.732 -0.315 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.094 -0.940 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.226 -1.871 -0.733 1.00 0.00 H new ATOM 456 N LYS A 30 9.760 -3.654 -4.770 1.00 0.00 N ATOM 457 CA LYS A 30 11.146 -3.994 -4.509 1.00 0.00 C ATOM 458 C LYS A 30 11.440 -3.812 -3.021 1.00 0.00 C ATOM 459 O LYS A 30 11.467 -2.691 -2.516 1.00 0.00 O ATOM 460 CB LYS A 30 12.087 -3.103 -5.362 1.00 0.00 C ATOM 461 CG LYS A 30 13.599 -3.278 -5.115 1.00 0.00 C ATOM 462 CD LYS A 30 14.189 -4.635 -5.552 1.00 0.00 C ATOM 463 CE LYS A 30 14.244 -4.894 -7.069 1.00 0.00 C ATOM 464 NZ LYS A 30 14.972 -3.814 -7.753 1.00 0.00 N ATOM 0 H LYS A 30 9.636 -2.775 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 30 11.321 -5.034 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.886 -3.302 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.829 -2.060 -5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.130 -2.484 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.794 -3.142 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.201 -4.713 -5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.602 -5.429 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.733 -5.849 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.232 -4.967 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.161 -4.092 -8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.397 -2.947 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.873 -3.638 -7.263 1.00 0.00 H new ATOM 478 N LYS A 31 11.643 -4.927 -2.280 1.00 0.00 N ATOM 479 CA LYS A 31 11.694 -4.985 -0.822 1.00 0.00 C ATOM 480 C LYS A 31 12.946 -4.386 -0.170 1.00 0.00 C ATOM 481 O LYS A 31 13.593 -4.991 0.683 1.00 0.00 O ATOM 482 CB LYS A 31 11.535 -6.458 -0.359 1.00 0.00 C ATOM 483 CG LYS A 31 12.564 -7.441 -0.960 1.00 0.00 C ATOM 484 CD LYS A 31 12.867 -8.628 -0.024 1.00 0.00 C ATOM 485 CE LYS A 31 13.765 -8.298 1.183 1.00 0.00 C ATOM 486 NZ LYS A 31 15.136 -7.953 0.756 1.00 0.00 N ATOM 0 H LYS A 31 11.780 -5.841 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 31 10.869 -4.355 -0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.612 -6.493 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.533 -6.799 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.187 -7.819 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.489 -6.906 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.923 -9.030 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.343 -9.417 -0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.336 -7.466 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.797 -9.152 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.682 -7.622 1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.595 -8.793 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.097 -7.200 0.040 1.00 0.00 H new ATOM 500 N HIS A 32 13.295 -3.159 -0.570 1.00 0.00 N ATOM 501 CA HIS A 32 14.435 -2.383 -0.128 1.00 0.00 C ATOM 502 C HIS A 32 13.970 -0.951 0.009 1.00 0.00 C ATOM 503 O HIS A 32 14.156 -0.299 1.034 1.00 0.00 O ATOM 504 CB HIS A 32 15.597 -2.469 -1.149 1.00 0.00 C ATOM 505 CG HIS A 32 16.064 -3.888 -1.327 1.00 0.00 C ATOM 506 ND1 HIS A 32 16.517 -4.435 -2.510 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.163 -4.876 -0.397 1.00 0.00 C ATOM 508 CE1 HIS A 32 16.840 -5.724 -2.249 1.00 0.00 C ATOM 509 NE2 HIS A 32 16.628 -6.043 -0.983 1.00 0.00 N ATOM 0 H HIS A 32 12.741 -2.654 -1.262 1.00 0.00 H new ATOM 0 HA HIS A 32 14.809 -2.769 0.820 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.271 -2.068 -2.109 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.428 -1.850 -0.811 1.00 0.00 H new ATOM 0 HD1 HIS A 32 16.594 -3.959 -3.409 1.00 0.00 H new ATOM 0 HD2 HIS A 32 15.915 -4.767 0.648 1.00 0.00 H new ATOM 0 HE1 HIS A 32 17.225 -6.411 -2.988 1.00 0.00 H new ATOM 517 N THR A 33 13.282 -0.445 -1.033 1.00 0.00 N ATOM 518 CA THR A 33 12.595 0.839 -1.018 1.00 0.00 C ATOM 519 C THR A 33 11.280 0.733 -0.244 1.00 0.00 C ATOM 520 O THR A 33 10.510 -0.174 -0.567 1.00 0.00 O ATOM 521 CB THR A 33 12.245 1.328 -2.424 1.00 0.00 C ATOM 522 OG1 THR A 33 11.590 0.329 -3.203 1.00 0.00 O ATOM 523 CG2 THR A 33 13.536 1.671 -3.175 1.00 0.00 C ATOM 0 H THR A 33 13.193 -0.936 -1.922 1.00 0.00 H new ATOM 0 HA THR A 33 13.282 1.542 -0.546 1.00 0.00 H new ATOM 0 HB THR A 33 11.585 2.186 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.000 -0.200 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.292 2.020 -4.178 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.072 2.454 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.164 0.783 -3.243 1.00 0.00 H new ATOM 531 N PRO A 34 10.948 1.567 0.746 1.00 0.00 N ATOM 532 CA PRO A 34 9.763 1.366 1.583 1.00 0.00 C ATOM 533 C PRO A 34 8.457 1.696 0.873 1.00 0.00 C ATOM 534 O PRO A 34 8.456 2.166 -0.269 1.00 0.00 O ATOM 535 CB PRO A 34 10.008 2.307 2.779 1.00 0.00 C ATOM 536 CG PRO A 34 10.903 3.415 2.218 1.00 0.00 C ATOM 537 CD PRO A 34 11.800 2.647 1.250 1.00 0.00 C ATOM 0 HA PRO A 34 9.643 0.320 1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.072 2.710 3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.493 1.784 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.325 4.188 1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.478 3.909 3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.152 3.287 0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.684 2.255 1.753 1.00 0.00 H new ATOM 545 N LEU A 35 7.321 1.456 1.567 1.00 0.00 N ATOM 546 CA LEU A 35 5.953 1.469 1.070 1.00 0.00 C ATOM 547 C LEU A 35 5.563 2.730 0.311 1.00 0.00 C ATOM 548 O LEU A 35 4.846 2.664 -0.686 1.00 0.00 O ATOM 549 CB LEU A 35 4.922 1.234 2.211 1.00 0.00 C ATOM 550 CG LEU A 35 4.992 -0.111 2.980 1.00 0.00 C ATOM 551 CD1 LEU A 35 4.952 -1.333 2.050 1.00 0.00 C ATOM 552 CD2 LEU A 35 6.158 -0.214 3.980 1.00 0.00 C ATOM 0 H LEU A 35 7.355 1.233 2.562 1.00 0.00 H new ATOM 0 HA LEU A 35 5.927 0.644 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.034 2.041 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.923 1.325 1.784 1.00 0.00 H new ATOM 0 HG LEU A 35 4.082 -0.117 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.004 -2.245 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.024 -1.325 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.800 -1.297 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.130 -1.186 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.103 -0.103 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.067 0.574 4.728 1.00 0.00 H new ATOM 564 N ARG A 36 6.066 3.907 0.738 1.00 0.00 N ATOM 565 CA ARG A 36 5.941 5.196 0.074 1.00 0.00 C ATOM 566 C ARG A 36 6.115 5.175 -1.439 1.00 0.00 C ATOM 567 O ARG A 36 5.309 5.738 -2.177 1.00 0.00 O ATOM 568 CB ARG A 36 6.945 6.233 0.645 1.00 0.00 C ATOM 569 CG ARG A 36 6.697 7.636 0.052 1.00 0.00 C ATOM 570 CD ARG A 36 7.543 8.779 0.606 1.00 0.00 C ATOM 571 NE ARG A 36 6.849 10.009 0.101 1.00 0.00 N ATOM 572 CZ ARG A 36 6.239 10.894 0.896 1.00 0.00 C ATOM 573 NH1 ARG A 36 6.334 10.900 2.214 1.00 0.00 N ATOM 574 NH2 ARG A 36 5.387 11.750 0.340 1.00 0.00 N ATOM 0 H ARG A 36 6.598 3.974 1.606 1.00 0.00 H new ATOM 0 HA ARG A 36 4.909 5.478 0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.853 6.273 1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.964 5.917 0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.861 7.583 -1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.647 7.887 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.580 8.759 1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.572 8.725 0.251 1.00 0.00 H new ATOM 0 HE ARG A 36 6.842 10.180 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.902 10.197 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.840 11.607 2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.215 11.719 -0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.905 12.438 0.918 1.00 0.00 H new ATOM 588 N LYS A 37 7.166 4.498 -1.954 1.00 0.00 N ATOM 589 CA LYS A 37 7.454 4.454 -3.378 1.00 0.00 C ATOM 590 C LYS A 37 6.339 3.802 -4.183 1.00 0.00 C ATOM 591 O LYS A 37 5.977 4.244 -5.270 1.00 0.00 O ATOM 592 CB LYS A 37 8.778 3.700 -3.658 1.00 0.00 C ATOM 593 CG LYS A 37 9.294 3.936 -5.089 1.00 0.00 C ATOM 594 CD LYS A 37 10.482 3.047 -5.489 1.00 0.00 C ATOM 595 CE LYS A 37 10.078 1.624 -5.901 1.00 0.00 C ATOM 596 NZ LYS A 37 11.246 0.921 -6.461 1.00 0.00 N ATOM 0 H LYS A 37 7.828 3.973 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 37 7.543 5.493 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.535 4.023 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.626 2.632 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.477 3.766 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.588 4.981 -5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.014 3.518 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.179 2.989 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.693 1.080 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.276 1.662 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.971 -0.042 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.594 1.436 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.998 0.873 -5.745 1.00 0.00 H new ATOM 610 N LEU A 38 5.735 2.740 -3.624 1.00 0.00 N ATOM 611 CA LEU A 38 4.582 2.079 -4.194 1.00 0.00 C ATOM 612 C LEU A 38 3.334 2.940 -4.048 1.00 0.00 C ATOM 613 O LEU A 38 2.674 3.277 -5.027 1.00 0.00 O ATOM 614 CB LEU A 38 4.374 0.715 -3.492 1.00 0.00 C ATOM 615 CG LEU A 38 3.309 -0.199 -4.125 1.00 0.00 C ATOM 616 CD1 LEU A 38 3.816 -0.845 -5.421 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.892 -1.285 -3.126 1.00 0.00 C ATOM 0 H LEU A 38 6.051 2.321 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 38 4.758 1.920 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.325 0.183 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.100 0.899 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 38 2.446 0.417 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.037 -1.483 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.072 -0.066 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.700 -1.445 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.138 -1.928 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.762 -1.882 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.479 -0.818 -2.232 1.00 0.00 H new ATOM 629 N MET A 39 2.993 3.344 -2.809 1.00 0.00 N ATOM 630 CA MET A 39 1.746 4.023 -2.509 1.00 0.00 C ATOM 631 C MET A 39 1.610 5.424 -3.088 1.00 0.00 C ATOM 632 O MET A 39 0.520 5.827 -3.477 1.00 0.00 O ATOM 633 CB MET A 39 1.462 4.051 -0.987 1.00 0.00 C ATOM 634 CG MET A 39 1.321 2.637 -0.385 1.00 0.00 C ATOM 635 SD MET A 39 0.463 2.565 1.220 1.00 0.00 S ATOM 636 CE MET A 39 1.582 3.644 2.150 1.00 0.00 C ATOM 0 H MET A 39 3.588 3.201 -1.993 1.00 0.00 H new ATOM 0 HA MET A 39 0.994 3.419 -3.017 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.269 4.579 -0.480 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.547 4.614 -0.802 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.784 2.008 -1.095 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.316 2.208 -0.268 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.337 3.595 3.211 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.611 3.317 2.000 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.473 4.670 1.800 1.00 0.00 H new ATOM 646 N ASN A 40 2.702 6.215 -3.196 1.00 0.00 N ATOM 647 CA ASN A 40 2.658 7.503 -3.887 1.00 0.00 C ATOM 648 C ASN A 40 2.477 7.294 -5.401 1.00 0.00 C ATOM 649 O ASN A 40 1.642 7.931 -6.039 1.00 0.00 O ATOM 650 CB ASN A 40 3.922 8.388 -3.619 1.00 0.00 C ATOM 651 CG ASN A 40 4.077 8.959 -2.200 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.897 9.859 -1.982 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.323 8.454 -1.200 1.00 0.00 N ATOM 0 H ASN A 40 3.616 5.976 -2.812 1.00 0.00 H new ATOM 0 HA ASN A 40 1.801 8.041 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.807 7.794 -3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.909 9.221 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.426 8.815 -0.251 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.650 7.712 -1.393 1.00 0.00 H new ATOM 660 N ALA A 41 3.215 6.346 -6.020 1.00 0.00 N ATOM 661 CA ALA A 41 3.100 6.045 -7.438 1.00 0.00 C ATOM 662 C ALA A 41 1.725 5.523 -7.862 1.00 0.00 C ATOM 663 O ALA A 41 1.166 5.966 -8.863 1.00 0.00 O ATOM 664 CB ALA A 41 4.189 5.030 -7.837 1.00 0.00 C ATOM 0 H ALA A 41 3.906 5.774 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 41 3.234 6.991 -7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.104 4.804 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.173 5.453 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.062 4.114 -7.260 1.00 0.00 H new ATOM 670 N TYR A 42 1.134 4.598 -7.076 1.00 0.00 N ATOM 671 CA TYR A 42 -0.209 4.074 -7.286 1.00 0.00 C ATOM 672 C TYR A 42 -1.326 5.007 -6.815 1.00 0.00 C ATOM 673 O TYR A 42 -2.506 4.661 -6.855 1.00 0.00 O ATOM 674 CB TYR A 42 -0.363 2.684 -6.618 1.00 0.00 C ATOM 675 CG TYR A 42 0.098 1.617 -7.564 1.00 0.00 C ATOM 676 CD1 TYR A 42 -0.780 1.172 -8.566 1.00 0.00 C ATOM 677 CD2 TYR A 42 1.380 1.053 -7.477 1.00 0.00 C ATOM 678 CE1 TYR A 42 -0.391 0.164 -9.457 1.00 0.00 C ATOM 679 CE2 TYR A 42 1.769 0.039 -8.364 1.00 0.00 C ATOM 680 CZ TYR A 42 0.876 -0.412 -9.341 1.00 0.00 C ATOM 681 OH TYR A 42 1.243 -1.467 -10.190 1.00 0.00 O ATOM 0 H TYR A 42 1.598 4.193 -6.263 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.322 3.985 -8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.220 2.645 -5.698 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.404 2.515 -6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.763 1.611 -8.650 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.070 1.402 -6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.068 -0.167 -10.231 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.756 -0.393 -8.293 1.00 0.00 H new ATOM 0 HH TYR A 42 0.746 -2.275 -9.942 1.00 0.00 H new ATOM 691 N CYS A 43 -0.990 6.250 -6.431 1.00 0.00 N ATOM 692 CA CYS A 43 -1.935 7.350 -6.444 1.00 0.00 C ATOM 693 C CYS A 43 -1.908 8.005 -7.812 1.00 0.00 C ATOM 694 O CYS A 43 -2.843 7.875 -8.601 1.00 0.00 O ATOM 695 CB CYS A 43 -1.638 8.403 -5.351 1.00 0.00 C ATOM 696 SG CYS A 43 -1.973 7.738 -3.696 1.00 0.00 S ATOM 0 H CYS A 43 -0.058 6.507 -6.107 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.924 6.944 -6.230 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.596 8.716 -5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.248 9.290 -5.520 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.031 6.906 -3.364 1.00 0.00 H new ATOM 702 N ASP A 44 -0.807 8.705 -8.147 1.00 0.00 N ATOM 703 CA ASP A 44 -0.690 9.544 -9.328 1.00 0.00 C ATOM 704 C ASP A 44 -0.838 8.806 -10.657 1.00 0.00 C ATOM 705 O ASP A 44 -1.636 9.183 -11.511 1.00 0.00 O ATOM 706 CB ASP A 44 0.664 10.294 -9.308 1.00 0.00 C ATOM 707 CG ASP A 44 0.783 11.122 -8.052 1.00 0.00 C ATOM 708 OD1 ASP A 44 -0.163 11.885 -7.733 1.00 0.00 O ATOM 709 OD2 ASP A 44 1.840 11.044 -7.378 1.00 0.00 O ATOM 0 H ASP A 44 0.041 8.694 -7.581 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.529 10.237 -9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.485 9.579 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.745 10.936 -10.185 1.00 0.00 H new ATOM 714 N ARG A 45 -0.092 7.698 -10.858 1.00 0.00 N ATOM 715 CA ARG A 45 -0.132 6.925 -12.092 1.00 0.00 C ATOM 716 C ARG A 45 -1.248 5.882 -12.100 1.00 0.00 C ATOM 717 O ARG A 45 -1.352 5.067 -13.016 1.00 0.00 O ATOM 718 CB ARG A 45 1.259 6.303 -12.397 1.00 0.00 C ATOM 719 CG ARG A 45 2.182 7.305 -13.127 1.00 0.00 C ATOM 720 CD ARG A 45 3.688 7.018 -13.052 1.00 0.00 C ATOM 721 NE ARG A 45 4.000 5.721 -13.730 1.00 0.00 N ATOM 722 CZ ARG A 45 5.244 5.244 -13.883 1.00 0.00 C ATOM 723 NH1 ARG A 45 6.305 5.841 -13.364 1.00 0.00 N ATOM 724 NH2 ARG A 45 5.398 4.133 -14.597 1.00 0.00 N ATOM 0 H ARG A 45 0.552 7.324 -10.161 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.372 7.616 -12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.729 5.986 -11.466 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.133 5.411 -13.010 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.891 7.336 -14.177 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.002 8.299 -12.717 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.244 7.827 -13.525 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.007 6.978 -12.010 1.00 0.00 H new ATOM 0 HE ARG A 45 3.224 5.169 -14.096 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.194 6.699 -12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.234 5.444 -13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.585 3.673 -15.007 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.329 3.740 -14.735 1.00 0.00 H new ATOM 738 N ALA A 46 -2.149 5.922 -11.098 1.00 0.00 N ATOM 739 CA ALA A 46 -3.464 5.316 -11.166 1.00 0.00 C ATOM 740 C ALA A 46 -4.491 6.378 -11.556 1.00 0.00 C ATOM 741 O ALA A 46 -5.309 6.188 -12.460 1.00 0.00 O ATOM 742 CB ALA A 46 -3.834 4.694 -9.807 1.00 0.00 C ATOM 0 H ALA A 46 -1.965 6.388 -10.210 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.458 4.526 -11.917 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.824 4.242 -9.871 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.102 3.930 -9.545 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.838 5.469 -9.041 1.00 0.00 H new ATOM 748 N GLY A 47 -4.448 7.540 -10.873 1.00 0.00 N ATOM 749 CA GLY A 47 -5.248 8.724 -11.165 1.00 0.00 C ATOM 750 C GLY A 47 -6.072 9.192 -10.001 1.00 0.00 C ATOM 751 O GLY A 47 -7.133 9.789 -10.183 1.00 0.00 O ATOM 0 H GLY A 47 -3.828 7.674 -10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.586 9.531 -11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.909 8.508 -12.004 1.00 0.00 H new ATOM 755 N LEU A 48 -5.593 8.946 -8.776 1.00 0.00 N ATOM 756 CA LEU A 48 -6.274 9.276 -7.542 1.00 0.00 C ATOM 757 C LEU A 48 -5.276 9.907 -6.587 1.00 0.00 C ATOM 758 O LEU A 48 -4.127 10.147 -6.949 1.00 0.00 O ATOM 759 CB LEU A 48 -6.951 8.011 -6.946 1.00 0.00 C ATOM 760 CG LEU A 48 -6.016 6.822 -6.623 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.562 6.801 -5.157 1.00 0.00 C ATOM 762 CD2 LEU A 48 -6.709 5.494 -6.952 1.00 0.00 C ATOM 0 H LEU A 48 -4.690 8.497 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.070 9.997 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.468 8.299 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.712 7.668 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.129 6.951 -7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.908 5.945 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.021 7.720 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.434 6.724 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.039 4.666 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.619 5.402 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.963 5.469 -8.012 1.00 0.00 H new ATOM 774 N SER A 49 -5.682 10.206 -5.341 1.00 0.00 N ATOM 775 CA SER A 49 -4.790 10.762 -4.332 1.00 0.00 C ATOM 776 C SER A 49 -4.994 10.018 -3.031 1.00 0.00 C ATOM 777 O SER A 49 -5.981 9.312 -2.856 1.00 0.00 O ATOM 778 CB SER A 49 -5.000 12.275 -4.099 1.00 0.00 C ATOM 779 OG SER A 49 -4.747 13.018 -5.295 1.00 0.00 O ATOM 0 H SER A 49 -6.638 10.066 -5.014 1.00 0.00 H new ATOM 0 HA SER A 49 -3.771 10.640 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.021 12.457 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.337 12.620 -3.305 1.00 0.00 H new ATOM 0 HG SER A 49 -4.888 13.972 -5.123 1.00 0.00 H new ATOM 785 N MET A 50 -4.068 10.135 -2.064 1.00 0.00 N ATOM 786 CA MET A 50 -4.068 9.324 -0.856 1.00 0.00 C ATOM 787 C MET A 50 -5.025 9.869 0.198 1.00 0.00 C ATOM 788 O MET A 50 -5.658 9.117 0.939 1.00 0.00 O ATOM 789 CB MET A 50 -2.629 9.222 -0.293 1.00 0.00 C ATOM 790 CG MET A 50 -2.392 8.103 0.746 1.00 0.00 C ATOM 791 SD MET A 50 -1.727 6.536 0.081 1.00 0.00 S ATOM 792 CE MET A 50 -3.233 5.842 -0.656 1.00 0.00 C ATOM 0 H MET A 50 -3.298 10.802 -2.108 1.00 0.00 H new ATOM 0 HA MET A 50 -4.422 8.327 -1.120 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.943 9.070 -1.126 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.369 10.177 0.164 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.704 8.476 1.505 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.336 7.892 1.248 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.098 4.773 -0.820 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.075 6.002 0.018 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.432 6.333 -1.608 1.00 0.00 H new ATOM 802 N GLN A 51 -5.209 11.209 0.243 1.00 0.00 N ATOM 803 CA GLN A 51 -6.148 11.907 1.121 1.00 0.00 C ATOM 804 C GLN A 51 -7.608 11.434 1.038 1.00 0.00 C ATOM 805 O GLN A 51 -8.391 11.666 1.957 1.00 0.00 O ATOM 806 CB GLN A 51 -6.139 13.439 0.844 1.00 0.00 C ATOM 807 CG GLN A 51 -4.809 14.182 1.136 1.00 0.00 C ATOM 808 CD GLN A 51 -4.514 14.373 2.628 1.00 0.00 C ATOM 809 OE1 GLN A 51 -5.080 15.230 3.313 1.00 0.00 O ATOM 810 NE2 GLN A 51 -3.548 13.600 3.159 1.00 0.00 N ATOM 0 H GLN A 51 -4.685 11.847 -0.356 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.785 11.668 2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.398 13.599 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.926 13.899 1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.988 13.627 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.838 15.159 0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.086 12.895 2.585 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.278 13.720 4.135 1.00 0.00 H new ATOM 819 N VAL A 52 -8.029 10.761 -0.053 1.00 0.00 N ATOM 820 CA VAL A 52 -9.379 10.231 -0.217 1.00 0.00 C ATOM 821 C VAL A 52 -9.485 8.727 0.031 1.00 0.00 C ATOM 822 O VAL A 52 -10.567 8.148 -0.055 1.00 0.00 O ATOM 823 CB VAL A 52 -9.945 10.547 -1.595 1.00 0.00 C ATOM 824 CG1 VAL A 52 -10.213 12.058 -1.678 1.00 0.00 C ATOM 825 CG2 VAL A 52 -9.007 10.096 -2.730 1.00 0.00 C ATOM 0 H VAL A 52 -7.423 10.573 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.968 10.734 0.550 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.873 9.991 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.619 12.302 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.929 12.343 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.281 12.602 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.455 10.343 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.048 10.606 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.853 9.019 -2.668 1.00 0.00 H new ATOM 835 N VAL A 53 -8.368 8.051 0.357 1.00 0.00 N ATOM 836 CA VAL A 53 -8.330 6.611 0.576 1.00 0.00 C ATOM 837 C VAL A 53 -8.172 6.333 2.067 1.00 0.00 C ATOM 838 O VAL A 53 -7.466 7.047 2.778 1.00 0.00 O ATOM 839 CB VAL A 53 -7.171 5.980 -0.196 1.00 0.00 C ATOM 840 CG1 VAL A 53 -7.175 4.447 -0.071 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.292 6.339 -1.688 1.00 0.00 C ATOM 0 H VAL A 53 -7.461 8.503 0.475 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.261 6.173 0.217 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.244 6.367 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.337 4.034 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.082 4.167 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.109 4.052 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.466 5.889 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.237 5.960 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.259 7.422 -1.805 1.00 0.00 H new ATOM 851 N ARG A 54 -8.827 5.296 2.618 1.00 0.00 N ATOM 852 CA ARG A 54 -8.547 4.790 3.951 1.00 0.00 C ATOM 853 C ARG A 54 -7.963 3.399 3.809 1.00 0.00 C ATOM 854 O ARG A 54 -8.433 2.608 2.998 1.00 0.00 O ATOM 855 CB ARG A 54 -9.823 4.731 4.835 1.00 0.00 C ATOM 856 CG ARG A 54 -9.760 5.598 6.111 1.00 0.00 C ATOM 857 CD ARG A 54 -10.334 7.014 5.973 1.00 0.00 C ATOM 858 NE ARG A 54 -9.522 7.751 4.955 1.00 0.00 N ATOM 859 CZ ARG A 54 -9.866 8.954 4.485 1.00 0.00 C ATOM 860 NH1 ARG A 54 -10.788 9.700 5.066 1.00 0.00 N ATOM 861 NH2 ARG A 54 -9.212 9.431 3.437 1.00 0.00 N ATOM 0 H ARG A 54 -9.570 4.789 2.137 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.848 5.466 4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.678 5.048 4.238 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.002 3.695 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.297 5.082 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.720 5.675 6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.379 6.972 5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.303 7.532 6.932 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.669 7.316 4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.264 9.363 5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.024 10.613 4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.466 8.883 3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.454 10.346 3.058 1.00 0.00 H new ATOM 875 N PHE A 55 -6.920 3.046 4.581 1.00 0.00 N ATOM 876 CA PHE A 55 -6.315 1.734 4.460 1.00 0.00 C ATOM 877 C PHE A 55 -5.768 1.249 5.789 1.00 0.00 C ATOM 878 O PHE A 55 -5.419 2.048 6.656 1.00 0.00 O ATOM 879 CB PHE A 55 -5.232 1.677 3.340 1.00 0.00 C ATOM 880 CG PHE A 55 -4.171 2.736 3.496 1.00 0.00 C ATOM 881 CD1 PHE A 55 -3.020 2.495 4.264 1.00 0.00 C ATOM 882 CD2 PHE A 55 -4.320 3.984 2.870 1.00 0.00 C ATOM 883 CE1 PHE A 55 -2.029 3.477 4.396 1.00 0.00 C ATOM 884 CE2 PHE A 55 -3.339 4.973 3.010 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.189 4.716 3.765 1.00 0.00 C ATOM 0 H PHE A 55 -6.493 3.651 5.282 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.109 1.051 4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.761 0.694 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.714 1.793 2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.897 1.543 4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.199 4.183 2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.144 3.278 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.470 5.934 2.535 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.425 5.474 3.861 1.00 0.00 H new ATOM 895 N ARG A 56 -5.713 -0.081 5.996 1.00 0.00 N ATOM 896 CA ARG A 56 -5.157 -0.662 7.209 1.00 0.00 C ATOM 897 C ARG A 56 -4.324 -1.902 6.904 1.00 0.00 C ATOM 898 O ARG A 56 -4.589 -2.640 5.953 1.00 0.00 O ATOM 899 CB ARG A 56 -6.225 -1.078 8.262 1.00 0.00 C ATOM 900 CG ARG A 56 -7.002 0.072 8.942 1.00 0.00 C ATOM 901 CD ARG A 56 -8.267 0.561 8.228 1.00 0.00 C ATOM 902 NE ARG A 56 -9.261 -0.560 8.240 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.588 -0.395 8.233 1.00 0.00 C ATOM 904 NH1 ARG A 56 -11.163 0.741 8.590 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.331 -1.442 7.912 1.00 0.00 N ATOM 0 H ARG A 56 -6.053 -0.770 5.325 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.545 0.137 7.628 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.945 -1.737 7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.731 -1.662 9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.280 -0.251 9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.326 0.919 9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.674 1.438 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.038 0.858 7.204 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.901 -1.514 8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.590 1.532 8.885 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.179 0.826 8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.887 -2.331 7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.348 -1.360 7.894 1.00 0.00 H new ATOM 919 N PHE A 57 -3.310 -2.175 7.746 1.00 0.00 N ATOM 920 CA PHE A 57 -2.541 -3.408 7.729 1.00 0.00 C ATOM 921 C PHE A 57 -2.550 -3.971 9.147 1.00 0.00 C ATOM 922 O PHE A 57 -2.337 -3.234 10.108 1.00 0.00 O ATOM 923 CB PHE A 57 -1.099 -3.154 7.226 1.00 0.00 C ATOM 924 CG PHE A 57 -0.449 -4.433 6.780 1.00 0.00 C ATOM 925 CD1 PHE A 57 -0.846 -5.032 5.573 1.00 0.00 C ATOM 926 CD2 PHE A 57 0.561 -5.041 7.544 1.00 0.00 C ATOM 927 CE1 PHE A 57 -0.237 -6.212 5.130 1.00 0.00 C ATOM 928 CE2 PHE A 57 1.175 -6.221 7.102 1.00 0.00 C ATOM 929 CZ PHE A 57 0.776 -6.805 5.891 1.00 0.00 C ATOM 0 H PHE A 57 -3.005 -1.523 8.468 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.984 -4.127 7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.119 -2.445 6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.508 -2.700 8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.628 -4.578 4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.867 -4.596 8.479 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.549 -6.665 4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.954 -6.680 7.693 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.250 -7.712 5.546 1.00 0.00 H new ATOM 939 N ASP A 58 -2.888 -5.270 9.317 1.00 0.00 N ATOM 940 CA ASP A 58 -3.177 -5.912 10.598 1.00 0.00 C ATOM 941 C ASP A 58 -4.337 -5.238 11.369 1.00 0.00 C ATOM 942 O ASP A 58 -4.480 -5.305 12.591 1.00 0.00 O ATOM 943 CB ASP A 58 -1.861 -6.096 11.411 1.00 0.00 C ATOM 944 CG ASP A 58 -2.013 -7.076 12.544 1.00 0.00 C ATOM 945 OD1 ASP A 58 -2.515 -8.210 12.319 1.00 0.00 O ATOM 946 OD2 ASP A 58 -1.639 -6.743 13.696 1.00 0.00 O ATOM 0 H ASP A 58 -2.967 -5.914 8.530 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.564 -6.913 10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.070 -6.438 10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.546 -5.131 11.809 1.00 0.00 H new ATOM 951 N GLY A 59 -5.228 -4.542 10.634 1.00 0.00 N ATOM 952 CA GLY A 59 -6.302 -3.730 11.192 1.00 0.00 C ATOM 953 C GLY A 59 -5.877 -2.367 11.677 1.00 0.00 C ATOM 954 O GLY A 59 -6.704 -1.594 12.152 1.00 0.00 O ATOM 0 H GLY A 59 -5.211 -4.536 9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.076 -3.606 10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.754 -4.271 12.023 1.00 0.00 H new ATOM 958 N GLN A 60 -4.586 -2.012 11.571 1.00 0.00 N ATOM 959 CA GLN A 60 -4.051 -0.767 12.090 1.00 0.00 C ATOM 960 C GLN A 60 -3.615 0.187 10.978 1.00 0.00 C ATOM 961 O GLN A 60 -3.291 -0.256 9.872 1.00 0.00 O ATOM 962 CB GLN A 60 -2.839 -1.061 13.002 1.00 0.00 C ATOM 963 CG GLN A 60 -3.193 -2.030 14.153 1.00 0.00 C ATOM 964 CD GLN A 60 -2.069 -2.068 15.184 1.00 0.00 C ATOM 965 OE1 GLN A 60 -0.891 -2.183 14.843 1.00 0.00 O ATOM 966 NE2 GLN A 60 -2.437 -1.956 16.479 1.00 0.00 N ATOM 0 H GLN A 60 -3.886 -2.597 11.115 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.849 -0.284 12.654 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.033 -1.488 12.405 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.466 -0.126 13.419 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.121 -1.714 14.630 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.363 -3.030 13.755 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.423 -1.862 16.723 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.729 -1.965 17.213 1.00 0.00 H new ATOM 975 N PRO A 61 -3.566 1.503 11.185 1.00 0.00 N ATOM 976 CA PRO A 61 -2.892 2.416 10.269 1.00 0.00 C ATOM 977 C PRO A 61 -1.374 2.261 10.332 1.00 0.00 C ATOM 978 O PRO A 61 -0.734 2.715 11.280 1.00 0.00 O ATOM 979 CB PRO A 61 -3.365 3.807 10.716 1.00 0.00 C ATOM 980 CG PRO A 61 -3.667 3.650 12.209 1.00 0.00 C ATOM 981 CD PRO A 61 -4.155 2.206 12.332 1.00 0.00 C ATOM 0 HA PRO A 61 -3.135 2.222 9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.597 4.561 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.250 4.121 10.163 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.780 3.826 12.817 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.426 4.359 12.540 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.835 1.761 13.274 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.244 2.155 12.309 1.00 0.00 H new ATOM 989 N ILE A 62 -0.783 1.620 9.310 1.00 0.00 N ATOM 990 CA ILE A 62 0.652 1.448 9.146 1.00 0.00 C ATOM 991 C ILE A 62 1.285 2.692 8.517 1.00 0.00 C ATOM 992 O ILE A 62 0.597 3.545 7.948 1.00 0.00 O ATOM 993 CB ILE A 62 0.909 0.174 8.333 1.00 0.00 C ATOM 994 CG1 ILE A 62 2.364 -0.335 8.449 1.00 0.00 C ATOM 995 CG2 ILE A 62 0.466 0.360 6.862 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.552 -1.782 7.980 1.00 0.00 C ATOM 0 H ILE A 62 -1.319 1.196 8.553 1.00 0.00 H new ATOM 0 HA ILE A 62 1.128 1.331 10.119 1.00 0.00 H new ATOM 0 HB ILE A 62 0.293 -0.612 8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.014 0.315 7.863 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.686 -0.255 9.487 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.658 -0.557 6.305 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.599 0.588 6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.027 1.181 6.414 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.598 -2.068 8.091 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.929 -2.443 8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.263 -1.865 6.932 1.00 0.00 H new ATOM 1008 N ASN A 63 2.619 2.870 8.610 1.00 0.00 N ATOM 1009 CA ASN A 63 3.284 4.015 8.015 1.00 0.00 C ATOM 1010 C ASN A 63 3.572 3.815 6.532 1.00 0.00 C ATOM 1011 O ASN A 63 3.682 2.709 6.011 1.00 0.00 O ATOM 1012 CB ASN A 63 4.619 4.351 8.723 1.00 0.00 C ATOM 1013 CG ASN A 63 4.352 4.905 10.109 1.00 0.00 C ATOM 1014 OD1 ASN A 63 4.300 6.125 10.290 1.00 0.00 O ATOM 1015 ND2 ASN A 63 4.198 4.014 11.107 1.00 0.00 N ATOM 0 H ASN A 63 3.245 2.227 9.095 1.00 0.00 H new ATOM 0 HA ASN A 63 2.586 4.843 8.140 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.237 3.456 8.794 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.178 5.078 8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.031 4.339 12.059 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.249 3.014 10.911 1.00 0.00 H new ATOM 1022 N GLU A 64 3.752 4.923 5.793 1.00 0.00 N ATOM 1023 CA GLU A 64 4.243 4.873 4.432 1.00 0.00 C ATOM 1024 C GLU A 64 5.764 4.734 4.394 1.00 0.00 C ATOM 1025 O GLU A 64 6.335 4.057 3.543 1.00 0.00 O ATOM 1026 CB GLU A 64 3.740 6.099 3.644 1.00 0.00 C ATOM 1027 CG GLU A 64 4.126 7.473 4.239 1.00 0.00 C ATOM 1028 CD GLU A 64 4.928 8.279 3.243 1.00 0.00 C ATOM 1029 OE1 GLU A 64 4.372 8.634 2.175 1.00 0.00 O ATOM 1030 OE2 GLU A 64 6.126 8.550 3.517 1.00 0.00 O ATOM 0 H GLU A 64 3.559 5.865 6.132 1.00 0.00 H new ATOM 0 HA GLU A 64 3.845 3.983 3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.128 6.040 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.654 6.044 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.225 8.021 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.706 7.330 5.151 1.00 0.00 H new ATOM 1037 N ASN A 65 6.463 5.312 5.385 1.00 0.00 N ATOM 1038 CA ASN A 65 7.870 5.071 5.629 1.00 0.00 C ATOM 1039 C ASN A 65 8.069 3.949 6.663 1.00 0.00 C ATOM 1040 O ASN A 65 9.003 3.985 7.459 1.00 0.00 O ATOM 1041 CB ASN A 65 8.515 6.403 6.114 1.00 0.00 C ATOM 1042 CG ASN A 65 9.355 7.066 5.033 1.00 0.00 C ATOM 1043 OD1 ASN A 65 10.588 7.057 5.124 1.00 0.00 O ATOM 1044 ND2 ASN A 65 8.729 7.686 4.016 1.00 0.00 N ATOM 0 H ASN A 65 6.046 5.970 6.044 1.00 0.00 H new ATOM 0 HA ASN A 65 8.353 4.741 4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.730 7.089 6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.139 6.205 6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.273 8.163 3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.710 7.679 3.964 1.00 0.00 H new ATOM 1051 N ASP A 66 7.212 2.897 6.679 1.00 0.00 N ATOM 1052 CA ASP A 66 7.374 1.788 7.611 1.00 0.00 C ATOM 1053 C ASP A 66 8.473 0.817 7.171 1.00 0.00 C ATOM 1054 O ASP A 66 9.025 0.901 6.073 1.00 0.00 O ATOM 1055 CB ASP A 66 6.029 1.037 7.853 1.00 0.00 C ATOM 1056 CG ASP A 66 5.797 0.786 9.327 1.00 0.00 C ATOM 1057 OD1 ASP A 66 6.637 0.080 9.948 1.00 0.00 O ATOM 1058 OD2 ASP A 66 4.796 1.303 9.897 1.00 0.00 O ATOM 0 H ASP A 66 6.410 2.807 6.055 1.00 0.00 H new ATOM 0 HA ASP A 66 7.688 2.224 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.205 1.623 7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.039 0.088 7.317 1.00 0.00 H new ATOM 1063 N THR A 67 8.827 -0.131 8.055 1.00 0.00 N ATOM 1064 CA THR A 67 9.994 -0.993 7.878 1.00 0.00 C ATOM 1065 C THR A 67 9.568 -2.450 7.754 1.00 0.00 C ATOM 1066 O THR A 67 8.754 -2.910 8.554 1.00 0.00 O ATOM 1067 CB THR A 67 11.066 -0.845 8.964 1.00 0.00 C ATOM 1068 OG1 THR A 67 10.599 -1.094 10.285 1.00 0.00 O ATOM 1069 CG2 THR A 67 11.625 0.582 8.943 1.00 0.00 C ATOM 0 H THR A 67 8.307 -0.317 8.912 1.00 0.00 H new ATOM 0 HA THR A 67 10.463 -0.659 6.953 1.00 0.00 H new ATOM 0 HB THR A 67 11.820 -1.596 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.337 -0.982 10.920 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.387 0.686 9.716 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.067 0.785 7.968 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.819 1.291 9.131 1.00 0.00 H new ATOM 1077 N PRO A 68 10.048 -3.256 6.802 1.00 0.00 N ATOM 1078 CA PRO A 68 9.484 -4.576 6.518 1.00 0.00 C ATOM 1079 C PRO A 68 9.950 -5.654 7.492 1.00 0.00 C ATOM 1080 O PRO A 68 9.855 -6.837 7.173 1.00 0.00 O ATOM 1081 CB PRO A 68 9.991 -4.859 5.093 1.00 0.00 C ATOM 1082 CG PRO A 68 11.353 -4.167 5.038 1.00 0.00 C ATOM 1083 CD PRO A 68 11.108 -2.898 5.855 1.00 0.00 C ATOM 0 HA PRO A 68 8.399 -4.588 6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.080 -5.929 4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.310 -4.460 4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.140 -4.784 5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.653 -3.940 4.015 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.012 -2.583 6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.803 -2.070 5.216 1.00 0.00 H new ATOM 1091 N THR A 69 10.435 -5.306 8.697 1.00 0.00 N ATOM 1092 CA THR A 69 10.900 -6.287 9.679 1.00 0.00 C ATOM 1093 C THR A 69 9.726 -7.017 10.322 1.00 0.00 C ATOM 1094 O THR A 69 9.703 -8.242 10.428 1.00 0.00 O ATOM 1095 CB THR A 69 11.871 -5.684 10.698 1.00 0.00 C ATOM 1096 OG1 THR A 69 12.513 -6.674 11.485 1.00 0.00 O ATOM 1097 CG2 THR A 69 11.237 -4.655 11.646 1.00 0.00 C ATOM 0 H THR A 69 10.513 -4.339 9.012 1.00 0.00 H new ATOM 0 HA THR A 69 11.482 -7.038 9.145 1.00 0.00 H new ATOM 0 HB THR A 69 12.601 -5.166 10.076 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.123 -6.243 12.119 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.994 -4.279 12.334 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.831 -3.827 11.065 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.435 -5.128 12.213 1.00 0.00 H new ATOM 1105 N SER A 70 8.654 -6.277 10.677 1.00 0.00 N ATOM 1106 CA SER A 70 7.421 -6.809 11.250 1.00 0.00 C ATOM 1107 C SER A 70 6.564 -7.582 10.265 1.00 0.00 C ATOM 1108 O SER A 70 5.576 -8.204 10.634 1.00 0.00 O ATOM 1109 CB SER A 70 6.534 -5.672 11.809 1.00 0.00 C ATOM 1110 OG SER A 70 7.275 -4.891 12.747 1.00 0.00 O ATOM 0 H SER A 70 8.632 -5.263 10.565 1.00 0.00 H new ATOM 0 HA SER A 70 7.759 -7.488 12.033 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.183 -5.039 10.994 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.651 -6.092 12.290 1.00 0.00 H new ATOM 0 HG SER A 70 6.707 -4.172 13.095 1.00 0.00 H new ATOM 1116 N LEU A 71 6.939 -7.573 8.971 1.00 0.00 N ATOM 1117 CA LEU A 71 6.291 -8.330 7.917 1.00 0.00 C ATOM 1118 C LEU A 71 6.796 -9.773 7.875 1.00 0.00 C ATOM 1119 O LEU A 71 6.287 -10.617 7.142 1.00 0.00 O ATOM 1120 CB LEU A 71 6.575 -7.617 6.568 1.00 0.00 C ATOM 1121 CG LEU A 71 5.846 -8.165 5.324 1.00 0.00 C ATOM 1122 CD1 LEU A 71 4.320 -8.046 5.433 1.00 0.00 C ATOM 1123 CD2 LEU A 71 6.335 -7.448 4.059 1.00 0.00 C ATOM 0 H LEU A 71 7.726 -7.018 8.635 1.00 0.00 H new ATOM 0 HA LEU A 71 5.219 -8.372 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.314 -6.565 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.648 -7.661 6.380 1.00 0.00 H new ATOM 0 HG LEU A 71 6.085 -9.227 5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.858 -8.447 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.972 -8.609 6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.044 -6.998 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.811 -7.846 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.135 -6.380 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.407 -7.608 3.941 1.00 0.00 H new ATOM 1135 N GLU A 72 7.845 -10.091 8.671 1.00 0.00 N ATOM 1136 CA GLU A 72 8.400 -11.429 8.834 1.00 0.00 C ATOM 1137 C GLU A 72 9.009 -12.011 7.559 1.00 0.00 C ATOM 1138 O GLU A 72 9.199 -13.218 7.438 1.00 0.00 O ATOM 1139 CB GLU A 72 7.367 -12.431 9.427 1.00 0.00 C ATOM 1140 CG GLU A 72 6.594 -11.904 10.660 1.00 0.00 C ATOM 1141 CD GLU A 72 5.686 -12.961 11.253 1.00 0.00 C ATOM 1142 OE1 GLU A 72 4.754 -13.448 10.560 1.00 0.00 O ATOM 1143 OE2 GLU A 72 5.861 -13.284 12.457 1.00 0.00 O ATOM 0 H GLU A 72 8.334 -9.391 9.229 1.00 0.00 H new ATOM 0 HA GLU A 72 9.214 -11.295 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.649 -12.695 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.888 -13.347 9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.303 -11.569 11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.001 -11.036 10.372 1.00 0.00 H new ATOM 1150 N MET A 73 9.309 -11.150 6.564 1.00 0.00 N ATOM 1151 CA MET A 73 9.527 -11.493 5.163 1.00 0.00 C ATOM 1152 C MET A 73 8.547 -12.505 4.554 1.00 0.00 C ATOM 1153 O MET A 73 8.911 -13.563 4.043 1.00 0.00 O ATOM 1154 CB MET A 73 11.017 -11.725 4.777 1.00 0.00 C ATOM 1155 CG MET A 73 11.713 -12.963 5.378 1.00 0.00 C ATOM 1156 SD MET A 73 13.436 -13.154 4.822 1.00 0.00 S ATOM 1157 CE MET A 73 14.170 -12.089 6.097 1.00 0.00 C ATOM 0 H MET A 73 9.408 -10.149 6.736 1.00 0.00 H new ATOM 0 HA MET A 73 9.254 -10.569 4.654 1.00 0.00 H new ATOM 0 HB2 MET A 73 11.078 -11.796 3.691 1.00 0.00 H new ATOM 0 HB3 MET A 73 11.584 -10.842 5.071 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.694 -12.891 6.465 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.149 -13.856 5.108 1.00 0.00 H new ATOM 0 HE1 MET A 73 15.251 -12.049 5.960 1.00 0.00 H new ATOM 0 HE2 MET A 73 13.756 -11.084 6.014 1.00 0.00 H new ATOM 0 HE3 MET A 73 13.945 -12.494 7.083 1.00 0.00 H new ATOM 1167 N GLU A 74 7.247 -12.170 4.591 1.00 0.00 N ATOM 1168 CA GLU A 74 6.193 -12.877 3.886 1.00 0.00 C ATOM 1169 C GLU A 74 6.085 -12.391 2.429 1.00 0.00 C ATOM 1170 O GLU A 74 6.935 -11.649 1.935 1.00 0.00 O ATOM 1171 CB GLU A 74 4.859 -12.650 4.654 1.00 0.00 C ATOM 1172 CG GLU A 74 3.825 -13.803 4.592 1.00 0.00 C ATOM 1173 CD GLU A 74 4.230 -14.998 5.425 1.00 0.00 C ATOM 1174 OE1 GLU A 74 3.887 -15.046 6.634 1.00 0.00 O ATOM 1175 OE2 GLU A 74 4.813 -15.970 4.878 1.00 0.00 O ATOM 0 H GLU A 74 6.902 -11.376 5.130 1.00 0.00 H new ATOM 0 HA GLU A 74 6.419 -13.943 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.095 -12.459 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.389 -11.748 4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.858 -13.437 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.697 -14.115 3.555 1.00 0.00 H new ATOM 1182 N GLU A 75 5.027 -12.798 1.706 1.00 0.00 N ATOM 1183 CA GLU A 75 4.610 -12.152 0.478 1.00 0.00 C ATOM 1184 C GLU A 75 3.115 -12.355 0.306 1.00 0.00 C ATOM 1185 O GLU A 75 2.509 -13.274 0.865 1.00 0.00 O ATOM 1186 CB GLU A 75 5.328 -12.661 -0.805 1.00 0.00 C ATOM 1187 CG GLU A 75 5.168 -14.182 -1.082 1.00 0.00 C ATOM 1188 CD GLU A 75 4.979 -14.553 -2.545 1.00 0.00 C ATOM 1189 OE1 GLU A 75 4.599 -13.699 -3.388 1.00 0.00 O ATOM 1190 OE2 GLU A 75 5.131 -15.770 -2.843 1.00 0.00 O ATOM 0 H GLU A 75 4.442 -13.591 1.971 1.00 0.00 H new ATOM 0 HA GLU A 75 4.882 -11.102 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.945 -12.108 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.390 -12.430 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.049 -14.700 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.313 -14.551 -0.516 1.00 0.00 H new ATOM 1197 N GLY A 76 2.464 -11.491 -0.493 1.00 0.00 N ATOM 1198 CA GLY A 76 1.035 -11.535 -0.750 1.00 0.00 C ATOM 1199 C GLY A 76 0.287 -10.652 0.202 1.00 0.00 C ATOM 1200 O GLY A 76 -0.877 -10.908 0.508 1.00 0.00 O ATOM 0 H GLY A 76 2.937 -10.731 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.837 -11.220 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.677 -12.560 -0.657 1.00 0.00 H new ATOM 1204 N ASP A 77 0.965 -9.598 0.681 1.00 0.00 N ATOM 1205 CA ASP A 77 0.600 -8.633 1.693 1.00 0.00 C ATOM 1206 C ASP A 77 -0.786 -8.023 1.513 1.00 0.00 C ATOM 1207 O ASP A 77 -1.002 -7.149 0.676 1.00 0.00 O ATOM 1208 CB ASP A 77 1.640 -7.473 1.704 1.00 0.00 C ATOM 1209 CG ASP A 77 3.110 -7.881 1.726 1.00 0.00 C ATOM 1210 OD1 ASP A 77 3.433 -9.088 1.613 1.00 0.00 O ATOM 1211 OD2 ASP A 77 3.937 -6.940 1.815 1.00 0.00 O ATOM 0 H ASP A 77 1.893 -9.390 0.313 1.00 0.00 H new ATOM 0 HA ASP A 77 0.587 -9.185 2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.470 -6.854 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.446 -6.848 2.576 1.00 0.00 H new ATOM 1216 N THR A 78 -1.783 -8.474 2.297 1.00 0.00 N ATOM 1217 CA THR A 78 -3.168 -8.037 2.151 1.00 0.00 C ATOM 1218 C THR A 78 -3.456 -6.722 2.850 1.00 0.00 C ATOM 1219 O THR A 78 -3.673 -6.672 4.062 1.00 0.00 O ATOM 1220 CB THR A 78 -4.179 -9.061 2.657 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.857 -9.501 3.970 1.00 0.00 O ATOM 1222 CG2 THR A 78 -4.155 -10.296 1.745 1.00 0.00 C ATOM 0 H THR A 78 -1.642 -9.151 3.047 1.00 0.00 H new ATOM 0 HA THR A 78 -3.284 -7.912 1.074 1.00 0.00 H new ATOM 0 HB THR A 78 -5.158 -8.582 2.659 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.693 -8.724 4.544 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.877 -11.029 2.106 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.413 -10.002 0.728 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.157 -10.735 1.753 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.502 -5.617 2.090 1.00 0.00 N ATOM 1231 CA ILE A 79 -3.880 -4.305 2.592 1.00 0.00 C ATOM 1232 C ILE A 79 -5.345 -4.026 2.266 1.00 0.00 C ATOM 1233 O ILE A 79 -5.799 -4.131 1.126 1.00 0.00 O ATOM 1234 CB ILE A 79 -2.925 -3.206 2.111 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.182 -1.869 2.846 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -2.952 -3.048 0.576 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.098 -0.818 2.574 1.00 0.00 C ATOM 0 H ILE A 79 -3.273 -5.619 1.096 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.784 -4.302 3.678 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.913 -3.519 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.150 -1.472 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.239 -2.055 3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.261 -2.259 0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.654 -3.986 0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.960 -2.787 0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.334 0.097 3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.132 -1.198 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.057 -0.606 1.506 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.158 -3.701 3.288 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.587 -3.474 3.128 1.00 0.00 C ATOM 1251 C GLU A 80 -7.869 -2.002 2.863 1.00 0.00 C ATOM 1252 O GLU A 80 -7.235 -1.129 3.456 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.368 -3.975 4.372 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.088 -3.155 5.651 1.00 0.00 C ATOM 1255 CD GLU A 80 -8.528 -3.847 6.921 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -8.004 -4.943 7.230 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -9.346 -3.253 7.670 1.00 0.00 O ATOM 0 H GLU A 80 -5.831 -3.591 4.248 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.930 -4.045 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.436 -3.943 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.111 -5.018 4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.020 -2.946 5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.597 -2.194 5.575 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.798 -1.690 1.933 1.00 0.00 N ATOM 1265 CA VAL A 81 -9.040 -0.330 1.463 1.00 0.00 C ATOM 1266 C VAL A 81 -10.510 0.088 1.563 1.00 0.00 C ATOM 1267 O VAL A 81 -11.419 -0.596 1.087 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.527 -0.140 0.034 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -8.840 1.271 -0.498 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -7.002 -0.360 0.021 1.00 0.00 C ATOM 0 H VAL A 81 -9.398 -2.387 1.492 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.479 0.324 2.131 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.029 -0.862 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.461 1.369 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.918 1.430 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.363 2.015 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.624 -0.227 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.525 0.362 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.777 -1.370 0.363 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.767 1.267 2.177 1.00 0.00 N ATOM 1281 CA TYR A 82 -12.056 1.942 2.218 1.00 0.00 C ATOM 1282 C TYR A 82 -11.923 3.298 1.512 1.00 0.00 C ATOM 1283 O TYR A 82 -10.822 3.796 1.283 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.561 2.096 3.683 1.00 0.00 C ATOM 1285 CG TYR A 82 -14.005 2.527 3.762 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -15.036 1.614 3.498 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -14.343 3.850 4.091 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -16.382 2.013 3.558 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -15.682 4.252 4.160 1.00 0.00 C ATOM 1290 CZ TYR A 82 -16.704 3.336 3.892 1.00 0.00 C ATOM 1291 OH TYR A 82 -18.054 3.748 3.969 1.00 0.00 O ATOM 0 H TYR A 82 -10.041 1.784 2.674 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.803 1.344 1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.441 1.147 4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.940 2.826 4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.793 0.592 3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.560 4.566 4.293 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.167 1.302 3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.926 5.271 4.421 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.093 4.696 4.214 1.00 0.00 H new ATOM 1301 N GLN A 83 -13.051 3.906 1.096 1.00 0.00 N ATOM 1302 CA GLN A 83 -13.065 4.960 0.098 1.00 0.00 C ATOM 1303 C GLN A 83 -13.830 6.208 0.523 1.00 0.00 C ATOM 1304 O GLN A 83 -14.534 6.255 1.533 1.00 0.00 O ATOM 1305 CB GLN A 83 -13.720 4.404 -1.196 1.00 0.00 C ATOM 1306 CG GLN A 83 -13.007 3.138 -1.729 1.00 0.00 C ATOM 1307 CD GLN A 83 -13.788 2.470 -2.859 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -14.993 2.232 -2.758 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -13.066 2.111 -3.942 1.00 0.00 N ATOM 0 H GLN A 83 -13.976 3.669 1.453 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.028 5.261 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -14.766 4.171 -0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -13.706 5.175 -1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.012 3.406 -2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.872 2.428 -0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.070 2.327 -3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.516 1.624 -4.717 1.00 0.00 H new ATOM 1318 N GLN A 84 -13.722 7.269 -0.298 1.00 0.00 N ATOM 1319 CA GLN A 84 -14.543 8.458 -0.208 1.00 0.00 C ATOM 1320 C GLN A 84 -15.961 8.231 -0.735 1.00 0.00 C ATOM 1321 O GLN A 84 -16.266 7.230 -1.384 1.00 0.00 O ATOM 1322 CB GLN A 84 -13.897 9.619 -1.007 1.00 0.00 C ATOM 1323 CG GLN A 84 -13.826 9.382 -2.542 1.00 0.00 C ATOM 1324 CD GLN A 84 -13.201 10.580 -3.255 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -13.436 11.736 -2.903 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -12.376 10.314 -4.292 1.00 0.00 N ATOM 0 H GLN A 84 -13.040 7.309 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 84 -14.608 8.711 0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.462 10.532 -0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.888 9.785 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.240 8.486 -2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.828 9.205 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.196 9.348 -4.566 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.933 11.079 -4.801 1.00 0.00 H new