USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 603 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 18 SER OG : rot 180:sc= -0.0558 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.9!) USER MOD Single : A 16 MET CE :methyl -159:sc= 0 (180deg=-0.0554) USER MOD Single : A 25 HIS : no HD1:sc= -0.0285 X(o=-0.028,f=-0.061) USER MOD Single : A 28 HIS : no HD1:sc= -3.67 K(o=-3.7,f=-4.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 170:sc= -0.0418 (180deg=-0.11) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.0864 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 78 HIS : no HE2:sc= -1.66 X(o=-1.7,f=-1.9) USER MOD Single : A 81 ASN : amide:sc= -1.81! C(o=-1.8!,f=-2.5!) USER MOD Single : A 86 TYR OH : rot -96:sc= 0.646 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -15.319 -6.871 4.819 1.00 0.00 N ATOM 126 CA GLY A 11 -15.263 -8.193 4.223 1.00 0.00 C ATOM 127 C GLY A 11 -14.886 -9.266 5.225 1.00 0.00 C ATOM 128 O GLY A 11 -14.967 -9.050 6.434 1.00 0.00 O ATOM 0 HA2 GLY A 11 -16.233 -8.433 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.539 -8.190 3.408 1.00 0.00 H new ATOM 132 N GLU A 12 -14.474 -10.426 4.722 1.00 0.00 N ATOM 133 CA GLU A 12 -14.086 -11.536 5.584 1.00 0.00 C ATOM 134 C GLU A 12 -12.569 -11.703 5.607 1.00 0.00 C ATOM 135 O GLU A 12 -11.896 -11.501 4.596 1.00 0.00 O ATOM 136 CB GLU A 12 -14.745 -12.833 5.110 1.00 0.00 C ATOM 137 CG GLU A 12 -16.124 -13.068 5.704 1.00 0.00 C ATOM 138 CD GLU A 12 -16.069 -13.784 7.040 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.768 -13.123 8.055 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.326 -15.006 7.069 1.00 0.00 O ATOM 0 H GLU A 12 -14.401 -10.621 3.723 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.425 -11.313 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.825 -12.814 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.100 -13.673 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.629 -12.110 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.721 -13.655 5.006 1.00 0.00 H new ATOM 147 N LEU A 13 -12.038 -12.071 6.767 1.00 0.00 N ATOM 148 CA LEU A 13 -10.601 -12.265 6.924 1.00 0.00 C ATOM 149 C LEU A 13 -10.087 -13.330 5.961 1.00 0.00 C ATOM 150 O LEU A 13 -9.295 -13.039 5.065 1.00 0.00 O ATOM 151 CB LEU A 13 -10.274 -12.663 8.364 1.00 0.00 C ATOM 152 CG LEU A 13 -10.119 -11.512 9.360 1.00 0.00 C ATOM 153 CD1 LEU A 13 -10.263 -12.018 10.787 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.777 -10.820 9.170 1.00 0.00 C ATOM 0 H LEU A 13 -12.581 -12.241 7.613 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.105 -11.322 6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.061 -13.325 8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.349 -13.240 8.359 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.910 -10.785 9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.150 -11.185 11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.248 -12.467 10.916 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.495 -12.765 10.988 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.684 -10.004 9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.972 -11.537 9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.713 -10.422 8.157 1.00 0.00 H new ATOM 166 N GLU A 14 -10.544 -14.563 6.152 1.00 0.00 N ATOM 167 CA GLU A 14 -10.131 -15.671 5.298 1.00 0.00 C ATOM 168 C GLU A 14 -10.395 -15.354 3.829 1.00 0.00 C ATOM 169 O GLU A 14 -9.813 -15.971 2.937 1.00 0.00 O ATOM 170 CB GLU A 14 -10.868 -16.952 5.695 1.00 0.00 C ATOM 171 CG GLU A 14 -10.270 -17.648 6.906 1.00 0.00 C ATOM 172 CD GLU A 14 -10.944 -18.971 7.211 1.00 0.00 C ATOM 173 OE1 GLU A 14 -10.835 -19.897 6.380 1.00 0.00 O ATOM 174 OE2 GLU A 14 -11.581 -19.081 8.280 1.00 0.00 O ATOM 0 H GLU A 14 -11.200 -14.820 6.890 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.060 -15.820 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.911 -16.712 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.862 -17.641 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.207 -17.817 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.353 -16.994 7.774 1.00 0.00 H new ATOM 181 N GLN A 15 -11.276 -14.389 3.587 1.00 0.00 N ATOM 182 CA GLN A 15 -11.618 -13.991 2.227 1.00 0.00 C ATOM 183 C GLN A 15 -10.565 -13.048 1.654 1.00 0.00 C ATOM 184 O GLN A 15 -10.408 -12.943 0.438 1.00 0.00 O ATOM 185 CB GLN A 15 -12.992 -13.318 2.200 1.00 0.00 C ATOM 186 CG GLN A 15 -14.151 -14.297 2.283 1.00 0.00 C ATOM 187 CD GLN A 15 -15.450 -13.709 1.766 1.00 0.00 C ATOM 188 OE1 GLN A 15 -16.381 -13.462 2.533 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.519 -13.483 0.460 1.00 0.00 N ATOM 0 H GLN A 15 -11.766 -13.869 4.315 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.649 -14.889 1.610 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.060 -12.616 3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.084 -12.736 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.908 -15.191 1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.285 -14.609 3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.723 -13.703 -0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.368 -13.089 0.055 1.00 0.00 H new ATOM 198 N MET A 16 -9.848 -12.363 2.539 1.00 0.00 N ATOM 199 CA MET A 16 -8.809 -11.429 2.121 1.00 0.00 C ATOM 200 C MET A 16 -7.722 -12.146 1.325 1.00 0.00 C ATOM 201 O MET A 16 -7.518 -13.350 1.478 1.00 0.00 O ATOM 202 CB MET A 16 -8.193 -10.739 3.340 1.00 0.00 C ATOM 203 CG MET A 16 -9.215 -10.042 4.224 1.00 0.00 C ATOM 204 SD MET A 16 -8.450 -9.000 5.480 1.00 0.00 S ATOM 205 CE MET A 16 -9.899 -8.299 6.267 1.00 0.00 C ATOM 0 H MET A 16 -9.967 -12.437 3.549 1.00 0.00 H new ATOM 0 HA MET A 16 -9.268 -10.676 1.480 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.656 -11.479 3.933 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.459 -10.008 3.001 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.872 -9.433 3.603 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.840 -10.791 4.710 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.622 -7.383 6.789 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.650 -8.073 5.510 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.307 -9.014 6.981 1.00 0.00 H new ATOM 215 N VAL A 17 -7.027 -11.397 0.474 1.00 0.00 N ATOM 216 CA VAL A 17 -5.961 -11.960 -0.345 1.00 0.00 C ATOM 217 C VAL A 17 -4.759 -11.024 -0.402 1.00 0.00 C ATOM 218 O VAL A 17 -4.909 -9.814 -0.572 1.00 0.00 O ATOM 219 CB VAL A 17 -6.446 -12.244 -1.779 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.654 -13.168 -1.762 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.769 -10.944 -2.499 1.00 0.00 C ATOM 0 H VAL A 17 -7.184 -10.399 0.334 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.664 -12.899 0.123 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.644 -12.744 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.982 -13.357 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.384 -14.111 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.463 -12.699 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.110 -11.163 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.553 -10.414 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.875 -10.322 -2.544 1.00 0.00 H new ATOM 231 N SER A 18 -3.566 -11.593 -0.260 1.00 0.00 N ATOM 232 CA SER A 18 -2.337 -10.808 -0.293 1.00 0.00 C ATOM 233 C SER A 18 -1.775 -10.738 -1.709 1.00 0.00 C ATOM 234 O SER A 18 -1.799 -11.722 -2.447 1.00 0.00 O ATOM 235 CB SER A 18 -1.296 -11.413 0.652 1.00 0.00 C ATOM 236 OG SER A 18 -1.615 -11.140 2.005 1.00 0.00 O ATOM 0 H SER A 18 -3.424 -12.594 -0.121 1.00 0.00 H new ATOM 0 HA SER A 18 -2.572 -9.796 0.036 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.243 -12.491 0.498 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.311 -11.009 0.419 1.00 0.00 H new ATOM 0 HG SER A 18 -0.936 -11.539 2.588 1.00 0.00 H new ATOM 242 N GLU A 19 -1.270 -9.565 -2.081 1.00 0.00 N ATOM 243 CA GLU A 19 -0.703 -9.365 -3.409 1.00 0.00 C ATOM 244 C GLU A 19 0.668 -8.701 -3.321 1.00 0.00 C ATOM 245 O GLU A 19 0.971 -8.005 -2.352 1.00 0.00 O ATOM 246 CB GLU A 19 -1.641 -8.512 -4.265 1.00 0.00 C ATOM 247 CG GLU A 19 -2.654 -9.325 -5.053 1.00 0.00 C ATOM 248 CD GLU A 19 -3.884 -9.672 -4.238 1.00 0.00 C ATOM 249 OE1 GLU A 19 -3.842 -10.679 -3.500 1.00 0.00 O ATOM 250 OE2 GLU A 19 -4.889 -8.937 -4.337 1.00 0.00 O ATOM 0 H GLU A 19 -1.242 -8.740 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.585 -10.343 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.172 -7.812 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.046 -7.918 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.955 -8.764 -5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.184 -10.244 -5.403 1.00 0.00 H new ATOM 257 N ASP A 20 1.493 -8.923 -4.338 1.00 0.00 N ATOM 258 CA ASP A 20 2.832 -8.346 -4.377 1.00 0.00 C ATOM 259 C ASP A 20 2.861 -7.098 -5.254 1.00 0.00 C ATOM 260 O ASP A 20 2.584 -7.162 -6.452 1.00 0.00 O ATOM 261 CB ASP A 20 3.838 -9.374 -4.898 1.00 0.00 C ATOM 262 CG ASP A 20 3.216 -10.346 -5.881 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.405 -11.191 -5.447 1.00 0.00 O ATOM 264 OD2 ASP A 20 3.541 -10.263 -7.084 1.00 0.00 O ATOM 0 H ASP A 20 1.258 -9.499 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 20 3.108 -8.061 -3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.667 -8.855 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.255 -9.929 -4.057 1.00 0.00 H new ATOM 269 N VAL A 21 3.197 -5.964 -4.649 1.00 0.00 N ATOM 270 CA VAL A 21 3.263 -4.700 -5.374 1.00 0.00 C ATOM 271 C VAL A 21 4.689 -4.164 -5.416 1.00 0.00 C ATOM 272 O VAL A 21 5.314 -3.909 -4.386 1.00 0.00 O ATOM 273 CB VAL A 21 2.345 -3.640 -4.737 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.918 -2.612 -5.774 1.00 0.00 C ATOM 275 CG2 VAL A 21 1.133 -4.299 -4.097 1.00 0.00 C ATOM 0 H VAL A 21 3.428 -5.894 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 21 2.924 -4.900 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 21 2.903 -3.124 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.270 -1.871 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.800 -2.118 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.378 -3.110 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.496 -3.535 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.571 -4.843 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.462 -4.992 -3.323 1.00 0.00 H new ATOM 285 N PRO A 22 5.219 -3.987 -6.636 1.00 0.00 N ATOM 286 CA PRO A 22 6.578 -3.477 -6.842 1.00 0.00 C ATOM 287 C PRO A 22 6.709 -2.006 -6.464 1.00 0.00 C ATOM 288 O PRO A 22 6.349 -1.120 -7.240 1.00 0.00 O ATOM 289 CB PRO A 22 6.803 -3.665 -8.344 1.00 0.00 C ATOM 290 CG PRO A 22 5.436 -3.651 -8.937 1.00 0.00 C ATOM 291 CD PRO A 22 4.531 -4.269 -7.907 1.00 0.00 C ATOM 0 HA PRO A 22 7.307 -3.996 -6.219 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.421 -2.866 -8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.316 -4.604 -8.553 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.123 -2.634 -9.171 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.409 -4.216 -9.869 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.534 -3.828 -7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.410 -5.340 -8.069 1.00 0.00 H new ATOM 299 N LEU A 23 7.227 -1.752 -5.267 1.00 0.00 N ATOM 300 CA LEU A 23 7.406 -0.386 -4.786 1.00 0.00 C ATOM 301 C LEU A 23 8.873 -0.108 -4.473 1.00 0.00 C ATOM 302 O LEU A 23 9.420 -0.628 -3.500 1.00 0.00 O ATOM 303 CB LEU A 23 6.553 -0.148 -3.539 1.00 0.00 C ATOM 304 CG LEU A 23 6.416 1.307 -3.088 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.480 2.068 -4.015 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.917 1.375 -1.652 1.00 0.00 C ATOM 0 H LEU A 23 7.530 -2.473 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 23 7.085 0.296 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.555 -0.546 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.978 -0.724 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 23 7.399 1.775 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.395 3.101 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.878 2.049 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.496 1.600 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.825 2.418 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.944 0.890 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.624 0.867 -0.997 1.00 0.00 H new ATOM 318 N ASP A 24 9.503 0.716 -5.302 1.00 0.00 N ATOM 319 CA ASP A 24 10.906 1.067 -5.112 1.00 0.00 C ATOM 320 C ASP A 24 11.177 1.457 -3.662 1.00 0.00 C ATOM 321 O ASP A 24 10.278 1.909 -2.952 1.00 0.00 O ATOM 322 CB ASP A 24 11.298 2.215 -6.044 1.00 0.00 C ATOM 323 CG ASP A 24 12.784 2.235 -6.344 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.509 1.368 -5.813 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.221 3.119 -7.110 1.00 0.00 O ATOM 0 H ASP A 24 9.065 1.154 -6.112 1.00 0.00 H new ATOM 0 HA ASP A 24 11.510 0.192 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.743 2.127 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.009 3.163 -5.590 1.00 0.00 H new ATOM 330 N HIS A 25 12.421 1.279 -3.229 1.00 0.00 N ATOM 331 CA HIS A 25 12.810 1.612 -1.863 1.00 0.00 C ATOM 332 C HIS A 25 12.993 3.119 -1.703 1.00 0.00 C ATOM 333 O HIS A 25 12.839 3.659 -0.607 1.00 0.00 O ATOM 334 CB HIS A 25 14.103 0.887 -1.488 1.00 0.00 C ATOM 335 CG HIS A 25 15.336 1.541 -2.032 1.00 0.00 C ATOM 336 ND1 HIS A 25 16.189 2.300 -1.259 1.00 0.00 N ATOM 337 CD2 HIS A 25 15.859 1.544 -3.280 1.00 0.00 C ATOM 338 CE1 HIS A 25 17.182 2.743 -2.008 1.00 0.00 C ATOM 339 NE2 HIS A 25 17.006 2.298 -3.239 1.00 0.00 N ATOM 0 H HIS A 25 13.177 0.906 -3.804 1.00 0.00 H new ATOM 0 HA HIS A 25 12.013 1.287 -1.194 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.179 0.835 -0.402 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.054 -0.139 -1.854 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.450 1.046 -4.147 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.999 3.364 -1.671 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.622 2.484 -4.031 1.00 0.00 H new ATOM 347 N ARG A 26 13.323 3.790 -2.801 1.00 0.00 N ATOM 348 CA ARG A 26 13.528 5.234 -2.781 1.00 0.00 C ATOM 349 C ARG A 26 12.212 5.967 -2.535 1.00 0.00 C ATOM 350 O ARG A 26 12.188 7.190 -2.396 1.00 0.00 O ATOM 351 CB ARG A 26 14.145 5.701 -4.101 1.00 0.00 C ATOM 352 CG ARG A 26 15.590 5.268 -4.284 1.00 0.00 C ATOM 353 CD ARG A 26 16.355 6.241 -5.168 1.00 0.00 C ATOM 354 NE ARG A 26 16.314 7.604 -4.644 1.00 0.00 N ATOM 355 CZ ARG A 26 17.144 8.058 -3.712 1.00 0.00 C ATOM 356 NH1 ARG A 26 18.075 7.262 -3.204 1.00 0.00 N ATOM 357 NH2 ARG A 26 17.044 9.311 -3.287 1.00 0.00 N ATOM 0 H ARG A 26 13.454 3.358 -3.716 1.00 0.00 H new ATOM 0 HA ARG A 26 14.212 5.467 -1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.551 5.312 -4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.091 6.788 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.076 5.199 -3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.619 4.272 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 26 17.392 5.916 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.934 6.226 -6.173 1.00 0.00 H new ATOM 0 HE ARG A 26 15.609 8.242 -5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 26 18.155 6.298 -3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.711 7.613 -2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.329 9.926 -3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.682 9.659 -2.571 1.00 0.00 H new ATOM 371 N VAL A 27 11.120 5.210 -2.481 1.00 0.00 N ATOM 372 CA VAL A 27 9.801 5.787 -2.251 1.00 0.00 C ATOM 373 C VAL A 27 9.122 5.142 -1.049 1.00 0.00 C ATOM 374 O VAL A 27 8.055 5.580 -0.615 1.00 0.00 O ATOM 375 CB VAL A 27 8.895 5.627 -3.486 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.545 6.255 -4.710 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.585 4.158 -3.732 1.00 0.00 C ATOM 0 H VAL A 27 11.123 4.196 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 27 9.950 6.849 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 27 7.956 6.146 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.890 6.132 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.712 7.317 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.499 5.766 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.944 4.063 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.514 3.614 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.075 3.743 -2.863 1.00 0.00 H new ATOM 387 N HIS A 28 9.746 4.098 -0.513 1.00 0.00 N ATOM 388 CA HIS A 28 9.202 3.392 0.642 1.00 0.00 C ATOM 389 C HIS A 28 8.888 4.365 1.775 1.00 0.00 C ATOM 390 O HIS A 28 7.725 4.587 2.111 1.00 0.00 O ATOM 391 CB HIS A 28 10.186 2.327 1.126 1.00 0.00 C ATOM 392 CG HIS A 28 10.029 1.008 0.435 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.602 -0.157 0.899 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.356 0.672 -0.690 1.00 0.00 C ATOM 395 CE1 HIS A 28 10.291 -1.152 0.087 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.534 -0.675 -0.885 1.00 0.00 N ATOM 0 H HIS A 28 10.629 3.722 -0.860 1.00 0.00 H new ATOM 0 HA HIS A 28 8.275 2.906 0.336 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.203 2.688 0.975 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.055 2.184 2.199 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.785 1.340 -1.318 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.603 -2.180 0.199 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.145 -1.219 -1.655 1.00 0.00 H new ATOM 404 N ALA A 29 9.933 4.940 2.361 1.00 0.00 N ATOM 405 CA ALA A 29 9.769 5.889 3.455 1.00 0.00 C ATOM 406 C ALA A 29 8.831 7.024 3.061 1.00 0.00 C ATOM 407 O ALA A 29 7.985 7.446 3.850 1.00 0.00 O ATOM 408 CB ALA A 29 11.120 6.442 3.881 1.00 0.00 C ATOM 0 H ALA A 29 10.902 4.765 2.096 1.00 0.00 H new ATOM 0 HA ALA A 29 9.323 5.360 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.982 7.149 4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.760 5.624 4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.588 6.949 3.037 1.00 0.00 H new ATOM 414 N ARG A 30 8.986 7.516 1.836 1.00 0.00 N ATOM 415 CA ARG A 30 8.154 8.604 1.337 1.00 0.00 C ATOM 416 C ARG A 30 6.673 8.281 1.513 1.00 0.00 C ATOM 417 O ARG A 30 5.855 9.173 1.737 1.00 0.00 O ATOM 418 CB ARG A 30 8.457 8.872 -0.138 1.00 0.00 C ATOM 419 CG ARG A 30 9.844 9.443 -0.381 1.00 0.00 C ATOM 420 CD ARG A 30 9.876 10.946 -0.149 1.00 0.00 C ATOM 421 NE ARG A 30 11.214 11.417 0.201 1.00 0.00 N ATOM 422 CZ ARG A 30 11.454 12.599 0.759 1.00 0.00 C ATOM 423 NH1 ARG A 30 10.452 13.424 1.029 1.00 0.00 N ATOM 424 NH2 ARG A 30 12.699 12.956 1.048 1.00 0.00 N ATOM 0 H ARG A 30 9.681 7.178 1.170 1.00 0.00 H new ATOM 0 HA ARG A 30 8.384 9.498 1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.354 7.942 -0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.714 9.565 -0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.560 8.956 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.155 9.225 -1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.535 11.459 -1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.180 11.205 0.649 1.00 0.00 H new ATOM 0 HE ARG A 30 12.007 10.805 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.494 13.152 0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.639 14.331 1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.472 12.323 0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.883 13.863 1.476 1.00 0.00 H new ATOM 438 N ILE A 31 6.337 6.999 1.410 1.00 0.00 N ATOM 439 CA ILE A 31 4.955 6.559 1.558 1.00 0.00 C ATOM 440 C ILE A 31 4.637 6.224 3.011 1.00 0.00 C ATOM 441 O ILE A 31 3.659 6.718 3.573 1.00 0.00 O ATOM 442 CB ILE A 31 4.661 5.326 0.683 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.899 5.652 -0.793 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.232 4.850 0.902 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.883 4.435 -1.691 1.00 0.00 C ATOM 0 H ILE A 31 7.002 6.248 1.225 1.00 0.00 H new ATOM 0 HA ILE A 31 4.324 7.386 1.232 1.00 0.00 H new ATOM 0 HB ILE A 31 5.339 4.523 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.134 6.352 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.860 6.156 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.039 3.978 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.094 4.583 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.538 5.648 0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.058 4.741 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.666 3.743 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.913 3.942 -1.619 1.00 0.00 H new ATOM 457 N ILE A 32 5.471 5.384 3.615 1.00 0.00 N ATOM 458 CA ILE A 32 5.281 4.986 5.005 1.00 0.00 C ATOM 459 C ILE A 32 4.952 6.190 5.881 1.00 0.00 C ATOM 460 O ILE A 32 4.029 6.146 6.694 1.00 0.00 O ATOM 461 CB ILE A 32 6.532 4.284 5.565 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.743 2.938 4.869 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.403 4.094 7.069 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.141 2.384 5.035 1.00 0.00 C ATOM 0 H ILE A 32 6.285 4.966 3.164 1.00 0.00 H new ATOM 0 HA ILE A 32 4.444 4.288 5.022 1.00 0.00 H new ATOM 0 HB ILE A 32 7.401 4.912 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.026 2.218 5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.529 3.050 3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.295 3.597 7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.295 5.066 7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.526 3.483 7.285 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.218 1.429 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.862 3.085 4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.351 2.239 6.095 1.00 0.00 H new ATOM 476 N GLY A 33 5.712 7.267 5.708 1.00 0.00 N ATOM 477 CA GLY A 33 5.485 8.469 6.489 1.00 0.00 C ATOM 478 C GLY A 33 6.491 8.631 7.611 1.00 0.00 C ATOM 479 O GLY A 33 7.231 7.700 7.930 1.00 0.00 O ATOM 0 H GLY A 33 6.481 7.329 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.533 9.339 5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.479 8.441 6.908 1.00 0.00 H new ATOM 483 N ALA A 34 6.521 9.817 8.210 1.00 0.00 N ATOM 484 CA ALA A 34 7.445 10.097 9.303 1.00 0.00 C ATOM 485 C ALA A 34 7.180 9.182 10.494 1.00 0.00 C ATOM 486 O ALA A 34 8.087 8.514 10.990 1.00 0.00 O ATOM 487 CB ALA A 34 7.339 11.556 9.722 1.00 0.00 C ATOM 0 H ALA A 34 5.917 10.599 7.957 1.00 0.00 H new ATOM 0 HA ALA A 34 8.458 9.904 8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.034 11.751 10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.585 12.197 8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.322 11.767 10.053 1.00 0.00 H new ATOM 493 N ARG A 35 5.931 9.158 10.949 1.00 0.00 N ATOM 494 CA ARG A 35 5.548 8.326 12.084 1.00 0.00 C ATOM 495 C ARG A 35 4.656 7.172 11.635 1.00 0.00 C ATOM 496 O ARG A 35 4.110 6.440 12.459 1.00 0.00 O ATOM 497 CB ARG A 35 4.822 9.166 13.136 1.00 0.00 C ATOM 498 CG ARG A 35 3.509 9.754 12.647 1.00 0.00 C ATOM 499 CD ARG A 35 2.362 8.768 12.808 1.00 0.00 C ATOM 500 NE ARG A 35 2.370 8.130 14.121 1.00 0.00 N ATOM 501 CZ ARG A 35 2.039 8.756 15.245 1.00 0.00 C ATOM 502 NH1 ARG A 35 1.676 10.031 15.214 1.00 0.00 N ATOM 503 NH2 ARG A 35 2.070 8.108 16.402 1.00 0.00 N ATOM 0 H ARG A 35 5.168 9.704 10.550 1.00 0.00 H new ATOM 0 HA ARG A 35 6.456 7.912 12.522 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.629 8.547 14.012 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.476 9.977 13.456 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.288 10.665 13.203 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.603 10.036 11.598 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.415 9.287 12.663 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.429 8.004 12.033 1.00 0.00 H new ATOM 0 HE ARG A 35 2.645 7.149 14.179 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.651 10.533 14.326 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.422 10.510 16.078 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.348 7.127 16.430 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.815 8.591 17.264 1.00 0.00 H new ATOM 517 N GLY A 36 4.514 7.016 10.322 1.00 0.00 N ATOM 518 CA GLY A 36 3.688 5.950 9.787 1.00 0.00 C ATOM 519 C GLY A 36 2.261 6.394 9.535 1.00 0.00 C ATOM 520 O GLY A 36 1.325 5.603 9.659 1.00 0.00 O ATOM 0 H GLY A 36 4.956 7.609 9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.123 5.590 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.687 5.111 10.483 1.00 0.00 H new ATOM 524 N LYS A 37 2.091 7.663 9.181 1.00 0.00 N ATOM 525 CA LYS A 37 0.768 8.213 8.911 1.00 0.00 C ATOM 526 C LYS A 37 0.446 8.149 7.422 1.00 0.00 C ATOM 527 O LYS A 37 -0.589 7.615 7.023 1.00 0.00 O ATOM 528 CB LYS A 37 0.685 9.661 9.400 1.00 0.00 C ATOM 529 CG LYS A 37 -0.724 10.103 9.756 1.00 0.00 C ATOM 530 CD LYS A 37 -0.717 11.379 10.580 1.00 0.00 C ATOM 531 CE LYS A 37 -2.047 11.594 11.286 1.00 0.00 C ATOM 532 NZ LYS A 37 -2.139 12.951 11.893 1.00 0.00 N ATOM 0 H LYS A 37 2.854 8.331 9.074 1.00 0.00 H new ATOM 0 HA LYS A 37 0.035 7.612 9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.325 9.778 10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.079 10.320 8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.298 10.262 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.225 9.311 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.084 11.333 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.506 12.230 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.862 11.458 10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.172 10.839 12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.060 13.059 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.377 13.072 12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.045 13.671 11.149 1.00 0.00 H new ATOM 546 N ALA A 38 1.339 8.694 6.603 1.00 0.00 N ATOM 547 CA ALA A 38 1.151 8.696 5.158 1.00 0.00 C ATOM 548 C ALA A 38 0.555 7.376 4.681 1.00 0.00 C ATOM 549 O ALA A 38 -0.222 7.344 3.726 1.00 0.00 O ATOM 550 CB ALA A 38 2.473 8.965 4.454 1.00 0.00 C ATOM 0 H ALA A 38 2.201 9.140 6.916 1.00 0.00 H new ATOM 0 HA ALA A 38 0.450 9.493 4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.318 8.964 3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.859 9.936 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.191 8.188 4.718 1.00 0.00 H new ATOM 556 N ILE A 39 0.924 6.289 5.350 1.00 0.00 N ATOM 557 CA ILE A 39 0.424 4.967 4.994 1.00 0.00 C ATOM 558 C ILE A 39 -0.863 4.645 5.745 1.00 0.00 C ATOM 559 O ILE A 39 -1.718 3.912 5.246 1.00 0.00 O ATOM 560 CB ILE A 39 1.466 3.872 5.292 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.041 2.546 4.657 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.652 3.712 6.793 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.502 2.387 3.225 1.00 0.00 C ATOM 0 H ILE A 39 1.567 6.298 6.141 1.00 0.00 H new ATOM 0 HA ILE A 39 0.222 4.984 3.923 1.00 0.00 H new ATOM 0 HB ILE A 39 2.420 4.171 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.439 1.724 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.046 2.468 4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.391 2.935 6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.996 4.654 7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.703 3.432 7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.165 1.425 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.083 3.189 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.590 2.433 3.186 1.00 0.00 H new ATOM 575 N ARG A 40 -0.996 5.198 6.946 1.00 0.00 N ATOM 576 CA ARG A 40 -2.180 4.971 7.765 1.00 0.00 C ATOM 577 C ARG A 40 -3.446 5.368 7.013 1.00 0.00 C ATOM 578 O ARG A 40 -4.484 4.717 7.136 1.00 0.00 O ATOM 579 CB ARG A 40 -2.081 5.760 9.072 1.00 0.00 C ATOM 580 CG ARG A 40 -2.878 5.151 10.214 1.00 0.00 C ATOM 581 CD ARG A 40 -2.096 4.049 10.912 1.00 0.00 C ATOM 582 NE ARG A 40 -2.948 3.241 11.781 1.00 0.00 N ATOM 583 CZ ARG A 40 -3.847 2.374 11.328 1.00 0.00 C ATOM 584 NH1 ARG A 40 -4.011 2.204 10.024 1.00 0.00 N ATOM 585 NH2 ARG A 40 -4.584 1.675 12.182 1.00 0.00 N ATOM 0 H ARG A 40 -0.298 5.807 7.373 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.234 3.907 7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.034 5.828 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.430 6.778 8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.136 5.928 10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.815 4.747 9.831 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.628 3.408 10.165 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.293 4.492 11.501 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.847 3.348 12.790 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.446 2.740 9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.702 1.538 9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.460 1.803 13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.274 1.009 11.834 1.00 0.00 H new ATOM 599 N LYS A 41 -3.354 6.441 6.234 1.00 0.00 N ATOM 600 CA LYS A 41 -4.491 6.925 5.461 1.00 0.00 C ATOM 601 C LYS A 41 -4.800 5.985 4.300 1.00 0.00 C ATOM 602 O LYS A 41 -5.964 5.745 3.978 1.00 0.00 O ATOM 603 CB LYS A 41 -4.210 8.333 4.930 1.00 0.00 C ATOM 604 CG LYS A 41 -3.202 8.364 3.794 1.00 0.00 C ATOM 605 CD LYS A 41 -3.156 9.728 3.126 1.00 0.00 C ATOM 606 CE LYS A 41 -2.475 10.760 4.012 1.00 0.00 C ATOM 607 NZ LYS A 41 -2.634 12.141 3.478 1.00 0.00 N ATOM 0 H LYS A 41 -2.503 6.992 6.122 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.359 6.957 6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.145 8.776 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.843 8.954 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.213 8.112 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.461 7.605 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.623 9.652 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.170 10.056 2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.894 10.709 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.414 10.523 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.156 12.815 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.212 12.197 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.645 12.377 3.421 1.00 0.00 H new ATOM 621 N ILE A 42 -3.752 5.456 3.679 1.00 0.00 N ATOM 622 CA ILE A 42 -3.914 4.540 2.556 1.00 0.00 C ATOM 623 C ILE A 42 -4.563 3.234 3.001 1.00 0.00 C ATOM 624 O ILE A 42 -5.470 2.725 2.344 1.00 0.00 O ATOM 625 CB ILE A 42 -2.562 4.226 1.887 1.00 0.00 C ATOM 626 CG1 ILE A 42 -1.967 5.495 1.272 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.733 3.147 0.828 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.567 5.305 0.733 1.00 0.00 C ATOM 0 H ILE A 42 -2.783 5.645 3.934 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.562 5.037 1.834 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.874 3.855 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.615 5.836 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.954 6.283 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.769 2.936 0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.119 2.239 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.434 3.491 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.208 6.244 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.095 4.993 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.577 4.540 -0.044 1.00 0.00 H new ATOM 640 N MET A 43 -4.092 2.697 4.122 1.00 0.00 N ATOM 641 CA MET A 43 -4.629 1.451 4.657 1.00 0.00 C ATOM 642 C MET A 43 -6.130 1.567 4.901 1.00 0.00 C ATOM 643 O MET A 43 -6.916 0.777 4.377 1.00 0.00 O ATOM 644 CB MET A 43 -3.915 1.081 5.959 1.00 0.00 C ATOM 645 CG MET A 43 -2.572 0.403 5.744 1.00 0.00 C ATOM 646 SD MET A 43 -1.929 -0.358 7.247 1.00 0.00 S ATOM 647 CE MET A 43 -0.479 0.650 7.544 1.00 0.00 C ATOM 0 H MET A 43 -3.340 3.105 4.677 1.00 0.00 H new ATOM 0 HA MET A 43 -4.458 0.665 3.922 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.766 1.984 6.551 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.557 0.420 6.541 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.674 -0.358 4.971 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.854 1.136 5.377 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.073 0.422 8.529 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.273 0.439 6.784 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.753 1.704 7.500 1.00 0.00 H new ATOM 657 N ASP A 44 -6.520 2.554 5.700 1.00 0.00 N ATOM 658 CA ASP A 44 -7.928 2.773 6.012 1.00 0.00 C ATOM 659 C ASP A 44 -8.716 3.125 4.754 1.00 0.00 C ATOM 660 O ASP A 44 -9.892 2.784 4.632 1.00 0.00 O ATOM 661 CB ASP A 44 -8.075 3.888 7.049 1.00 0.00 C ATOM 662 CG ASP A 44 -8.003 3.368 8.472 1.00 0.00 C ATOM 663 OD1 ASP A 44 -8.709 2.385 8.781 1.00 0.00 O ATOM 664 OD2 ASP A 44 -7.241 3.944 9.276 1.00 0.00 O ATOM 0 H ASP A 44 -5.882 3.215 6.143 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.331 1.848 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.290 4.629 6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.027 4.397 6.899 1.00 0.00 H new ATOM 669 N GLU A 45 -8.059 3.809 3.823 1.00 0.00 N ATOM 670 CA GLU A 45 -8.700 4.208 2.575 1.00 0.00 C ATOM 671 C GLU A 45 -9.474 3.044 1.964 1.00 0.00 C ATOM 672 O GLU A 45 -10.658 3.168 1.650 1.00 0.00 O ATOM 673 CB GLU A 45 -7.656 4.719 1.580 1.00 0.00 C ATOM 674 CG GLU A 45 -8.258 5.368 0.345 1.00 0.00 C ATOM 675 CD GLU A 45 -7.276 6.271 -0.376 1.00 0.00 C ATOM 676 OE1 GLU A 45 -6.386 6.836 0.293 1.00 0.00 O ATOM 677 OE2 GLU A 45 -7.399 6.413 -1.611 1.00 0.00 O ATOM 0 H GLU A 45 -7.085 4.098 3.909 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.402 5.011 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.011 5.441 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.023 3.887 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.601 4.591 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.134 5.948 0.634 1.00 0.00 H new ATOM 684 N PHE A 46 -8.796 1.913 1.798 1.00 0.00 N ATOM 685 CA PHE A 46 -9.419 0.726 1.224 1.00 0.00 C ATOM 686 C PHE A 46 -9.462 -0.412 2.239 1.00 0.00 C ATOM 687 O PHE A 46 -9.825 -1.541 1.910 1.00 0.00 O ATOM 688 CB PHE A 46 -8.659 0.280 -0.027 1.00 0.00 C ATOM 689 CG PHE A 46 -8.336 1.407 -0.966 1.00 0.00 C ATOM 690 CD1 PHE A 46 -7.309 2.292 -0.681 1.00 0.00 C ATOM 691 CD2 PHE A 46 -9.062 1.582 -2.134 1.00 0.00 C ATOM 692 CE1 PHE A 46 -7.009 3.330 -1.543 1.00 0.00 C ATOM 693 CE2 PHE A 46 -8.766 2.618 -3.000 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.740 3.494 -2.704 1.00 0.00 C ATOM 0 H PHE A 46 -7.816 1.794 2.053 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.442 0.981 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.732 -0.207 0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.253 -0.465 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.736 2.169 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.867 0.902 -2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.205 4.012 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.337 2.742 -3.908 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.510 4.305 -3.379 1.00 0.00 H new ATOM 704 N LYS A 47 -9.086 -0.106 3.477 1.00 0.00 N ATOM 705 CA LYS A 47 -9.081 -1.101 4.543 1.00 0.00 C ATOM 706 C LYS A 47 -8.101 -2.228 4.231 1.00 0.00 C ATOM 707 O LYS A 47 -8.392 -3.400 4.468 1.00 0.00 O ATOM 708 CB LYS A 47 -10.487 -1.674 4.741 1.00 0.00 C ATOM 709 CG LYS A 47 -11.481 -0.667 5.293 1.00 0.00 C ATOM 710 CD LYS A 47 -11.956 0.296 4.218 1.00 0.00 C ATOM 711 CE LYS A 47 -13.379 0.764 4.477 1.00 0.00 C ATOM 712 NZ LYS A 47 -13.413 1.998 5.310 1.00 0.00 N ATOM 0 H LYS A 47 -8.781 0.823 3.766 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.762 -0.610 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.855 -2.050 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.431 -2.526 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.337 -1.194 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.019 -0.107 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.290 1.158 4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.904 -0.190 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.878 0.953 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.936 -0.028 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.400 2.285 5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.959 1.810 6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.903 2.761 4.821 1.00 0.00 H new ATOM 726 N VAL A 48 -6.938 -1.864 3.700 1.00 0.00 N ATOM 727 CA VAL A 48 -5.914 -2.844 3.358 1.00 0.00 C ATOM 728 C VAL A 48 -4.712 -2.730 4.289 1.00 0.00 C ATOM 729 O VAL A 48 -4.451 -1.668 4.855 1.00 0.00 O ATOM 730 CB VAL A 48 -5.440 -2.676 1.903 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.568 -2.995 0.933 1.00 0.00 C ATOM 732 CG2 VAL A 48 -4.911 -1.268 1.674 1.00 0.00 C ATOM 0 H VAL A 48 -6.682 -0.898 3.497 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.367 -3.829 3.473 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.627 -3.379 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.214 -2.871 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.895 -4.024 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.404 -2.319 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.580 -1.167 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.702 -0.545 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.071 -1.081 2.343 1.00 0.00 H new ATOM 742 N ASP A 49 -3.984 -3.830 4.443 1.00 0.00 N ATOM 743 CA ASP A 49 -2.807 -3.853 5.305 1.00 0.00 C ATOM 744 C ASP A 49 -1.531 -3.979 4.479 1.00 0.00 C ATOM 745 O ASP A 49 -1.177 -5.069 4.028 1.00 0.00 O ATOM 746 CB ASP A 49 -2.901 -5.011 6.301 1.00 0.00 C ATOM 747 CG ASP A 49 -1.703 -5.077 7.227 1.00 0.00 C ATOM 748 OD1 ASP A 49 -1.033 -4.038 7.405 1.00 0.00 O ATOM 749 OD2 ASP A 49 -1.435 -6.167 7.773 1.00 0.00 O ATOM 0 H ASP A 49 -4.187 -4.717 3.983 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.771 -2.913 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.809 -4.904 6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.986 -5.950 5.755 1.00 0.00 H new ATOM 754 N ILE A 50 -0.846 -2.858 4.284 1.00 0.00 N ATOM 755 CA ILE A 50 0.391 -2.843 3.512 1.00 0.00 C ATOM 756 C ILE A 50 1.570 -3.320 4.353 1.00 0.00 C ATOM 757 O ILE A 50 1.916 -2.704 5.361 1.00 0.00 O ATOM 758 CB ILE A 50 0.698 -1.435 2.968 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.498 -0.895 2.183 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.943 -1.465 2.094 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.250 0.461 1.561 1.00 0.00 C ATOM 0 H ILE A 50 -1.126 -1.948 4.650 1.00 0.00 H new ATOM 0 HA ILE A 50 0.248 -3.524 2.673 1.00 0.00 H new ATOM 0 HB ILE A 50 0.885 -0.769 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.757 -1.604 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.359 -0.829 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.147 -0.463 1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.793 -1.811 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.783 -2.142 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.140 0.782 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.021 1.184 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.591 0.396 0.870 1.00 0.00 H new ATOM 773 N ARG A 51 2.183 -4.421 3.931 1.00 0.00 N ATOM 774 CA ARG A 51 3.325 -4.981 4.645 1.00 0.00 C ATOM 775 C ARG A 51 4.624 -4.708 3.893 1.00 0.00 C ATOM 776 O ARG A 51 4.860 -5.263 2.820 1.00 0.00 O ATOM 777 CB ARG A 51 3.142 -6.487 4.840 1.00 0.00 C ATOM 778 CG ARG A 51 3.902 -7.043 6.034 1.00 0.00 C ATOM 779 CD ARG A 51 5.404 -7.024 5.796 1.00 0.00 C ATOM 780 NE ARG A 51 6.113 -7.920 6.706 1.00 0.00 N ATOM 781 CZ ARG A 51 6.398 -7.612 7.966 1.00 0.00 C ATOM 782 NH1 ARG A 51 6.036 -6.438 8.464 1.00 0.00 N ATOM 783 NH2 ARG A 51 7.046 -8.481 8.732 1.00 0.00 N ATOM 0 H ARG A 51 1.908 -4.943 3.099 1.00 0.00 H new ATOM 0 HA ARG A 51 3.383 -4.499 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.081 -6.703 4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.470 -7.004 3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.666 -6.457 6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.576 -8.065 6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.612 -7.314 4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.778 -6.008 5.922 1.00 0.00 H new ATOM 0 HE ARG A 51 6.405 -8.832 6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.537 -5.768 7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.257 -6.205 9.432 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.325 -9.386 8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.265 -8.244 9.700 1.00 0.00 H new ATOM 797 N PHE A 52 5.463 -3.849 4.463 1.00 0.00 N ATOM 798 CA PHE A 52 6.737 -3.501 3.846 1.00 0.00 C ATOM 799 C PHE A 52 7.782 -4.582 4.110 1.00 0.00 C ATOM 800 O PHE A 52 7.726 -5.305 5.104 1.00 0.00 O ATOM 801 CB PHE A 52 7.234 -2.155 4.376 1.00 0.00 C ATOM 802 CG PHE A 52 6.465 -0.980 3.842 1.00 0.00 C ATOM 803 CD1 PHE A 52 6.831 -0.381 2.647 1.00 0.00 C ATOM 804 CD2 PHE A 52 5.378 -0.474 4.536 1.00 0.00 C ATOM 805 CE1 PHE A 52 6.125 0.700 2.153 1.00 0.00 C ATOM 806 CE2 PHE A 52 4.669 0.607 4.047 1.00 0.00 C ATOM 807 CZ PHE A 52 5.044 1.195 2.855 1.00 0.00 C ATOM 0 H PHE A 52 5.283 -3.381 5.351 1.00 0.00 H new ATOM 0 HA PHE A 52 6.582 -3.425 2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.171 -2.156 5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.287 -2.038 4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.677 -0.763 2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.081 -0.929 5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.419 1.157 1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.823 0.991 4.597 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.492 2.041 2.472 1.00 0.00 H new ATOM 817 N PRO A 53 8.759 -4.695 3.197 1.00 0.00 N ATOM 818 CA PRO A 53 9.835 -5.684 3.309 1.00 0.00 C ATOM 819 C PRO A 53 10.800 -5.365 4.446 1.00 0.00 C ATOM 820 O PRO A 53 11.365 -4.273 4.503 1.00 0.00 O ATOM 821 CB PRO A 53 10.548 -5.585 1.958 1.00 0.00 C ATOM 822 CG PRO A 53 10.262 -4.204 1.478 1.00 0.00 C ATOM 823 CD PRO A 53 8.888 -3.866 1.987 1.00 0.00 C ATOM 0 HA PRO A 53 9.452 -6.680 3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.620 -5.753 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.175 -6.333 1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.002 -3.498 1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.299 -4.153 0.390 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.794 -2.804 2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.118 -4.104 1.253 1.00 0.00 H new ATOM 831 N GLN A 54 10.984 -6.324 5.347 1.00 0.00 N ATOM 832 CA GLN A 54 11.881 -6.144 6.482 1.00 0.00 C ATOM 833 C GLN A 54 13.324 -5.981 6.015 1.00 0.00 C ATOM 834 O GLN A 54 13.603 -5.991 4.816 1.00 0.00 O ATOM 835 CB GLN A 54 11.772 -7.333 7.438 1.00 0.00 C ATOM 836 CG GLN A 54 12.028 -8.675 6.772 1.00 0.00 C ATOM 837 CD GLN A 54 12.113 -9.814 7.768 1.00 0.00 C ATOM 838 OE1 GLN A 54 11.666 -9.692 8.909 1.00 0.00 O ATOM 839 NE2 GLN A 54 12.690 -10.932 7.342 1.00 0.00 N ATOM 0 H GLN A 54 10.524 -7.234 5.313 1.00 0.00 H new ATOM 0 HA GLN A 54 11.584 -5.236 7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.484 -7.200 8.253 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.777 -7.341 7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.230 -8.880 6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.957 -8.623 6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.047 -10.990 6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.776 -11.732 7.969 1.00 0.00 H new ATOM 848 N SER A 55 14.236 -5.831 6.970 1.00 0.00 N ATOM 849 CA SER A 55 15.650 -5.662 6.656 1.00 0.00 C ATOM 850 C SER A 55 16.224 -6.932 6.036 1.00 0.00 C ATOM 851 O SER A 55 17.238 -6.893 5.340 1.00 0.00 O ATOM 852 CB SER A 55 16.434 -5.298 7.919 1.00 0.00 C ATOM 853 OG SER A 55 16.001 -4.056 8.447 1.00 0.00 O ATOM 0 H SER A 55 14.021 -5.823 7.967 1.00 0.00 H new ATOM 0 HA SER A 55 15.742 -4.852 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.307 -6.080 8.668 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.498 -5.248 7.689 1.00 0.00 H new ATOM 0 HG SER A 55 16.516 -3.846 9.254 1.00 0.00 H new ATOM 859 N GLY A 56 15.568 -8.059 6.295 1.00 0.00 N ATOM 860 CA GLY A 56 16.027 -9.326 5.756 1.00 0.00 C ATOM 861 C GLY A 56 15.023 -9.951 4.808 1.00 0.00 C ATOM 862 O GLY A 56 15.045 -11.159 4.578 1.00 0.00 O ATOM 0 H GLY A 56 14.727 -8.117 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.971 -9.174 5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.225 -10.016 6.576 1.00 0.00 H new ATOM 866 N ALA A 57 14.138 -9.125 4.258 1.00 0.00 N ATOM 867 CA ALA A 57 13.122 -9.604 3.329 1.00 0.00 C ATOM 868 C ALA A 57 13.738 -9.978 1.985 1.00 0.00 C ATOM 869 O ALA A 57 14.777 -9.454 1.584 1.00 0.00 O ATOM 870 CB ALA A 57 12.040 -8.550 3.142 1.00 0.00 C ATOM 0 H ALA A 57 14.105 -8.122 4.440 1.00 0.00 H new ATOM 0 HA ALA A 57 12.671 -10.501 3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.288 -8.921 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.571 -8.335 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.485 -7.638 2.744 1.00 0.00 H new ATOM 876 N PRO A 58 13.084 -10.907 1.272 1.00 0.00 N ATOM 877 CA PRO A 58 13.550 -11.372 -0.038 1.00 0.00 C ATOM 878 C PRO A 58 13.409 -10.303 -1.116 1.00 0.00 C ATOM 879 O PRO A 58 14.125 -10.319 -2.117 1.00 0.00 O ATOM 880 CB PRO A 58 12.633 -12.560 -0.339 1.00 0.00 C ATOM 881 CG PRO A 58 11.395 -12.291 0.444 1.00 0.00 C ATOM 882 CD PRO A 58 11.840 -11.574 1.689 1.00 0.00 C ATOM 0 HA PRO A 58 14.610 -11.626 -0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.419 -12.634 -1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.094 -13.501 -0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.696 -11.681 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.880 -13.219 0.691 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.093 -10.856 2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.012 -12.267 2.512 1.00 0.00 H new ATOM 890 N ASP A 59 12.482 -9.375 -0.905 1.00 0.00 N ATOM 891 CA ASP A 59 12.247 -8.297 -1.859 1.00 0.00 C ATOM 892 C ASP A 59 12.132 -6.955 -1.144 1.00 0.00 C ATOM 893 O ASP A 59 11.047 -6.525 -0.749 1.00 0.00 O ATOM 894 CB ASP A 59 10.978 -8.569 -2.668 1.00 0.00 C ATOM 895 CG ASP A 59 11.254 -9.366 -3.928 1.00 0.00 C ATOM 896 OD1 ASP A 59 12.290 -9.110 -4.576 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.434 -10.245 -4.266 1.00 0.00 O ATOM 0 H ASP A 59 11.881 -9.347 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 59 13.098 -8.255 -2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.264 -9.111 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.511 -7.621 -2.936 1.00 0.00 H new ATOM 902 N PRO A 60 13.275 -6.275 -0.972 1.00 0.00 N ATOM 903 CA PRO A 60 13.328 -4.971 -0.303 1.00 0.00 C ATOM 904 C PRO A 60 12.682 -3.867 -1.133 1.00 0.00 C ATOM 905 O PRO A 60 12.667 -2.704 -0.731 1.00 0.00 O ATOM 906 CB PRO A 60 14.829 -4.714 -0.146 1.00 0.00 C ATOM 907 CG PRO A 60 15.465 -5.507 -1.235 1.00 0.00 C ATOM 908 CD PRO A 60 14.604 -6.726 -1.417 1.00 0.00 C ATOM 0 HA PRO A 60 12.781 -4.974 0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.061 -3.653 -0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.185 -5.031 0.834 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.522 -4.928 -2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.485 -5.786 -0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.589 -7.056 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.964 -7.565 -0.821 1.00 0.00 H new ATOM 916 N ASN A 61 12.150 -4.240 -2.292 1.00 0.00 N ATOM 917 CA ASN A 61 11.502 -3.280 -3.179 1.00 0.00 C ATOM 918 C ASN A 61 10.065 -3.697 -3.476 1.00 0.00 C ATOM 919 O ASN A 61 9.399 -3.105 -4.327 1.00 0.00 O ATOM 920 CB ASN A 61 12.288 -3.150 -4.486 1.00 0.00 C ATOM 921 CG ASN A 61 13.782 -3.033 -4.253 1.00 0.00 C ATOM 922 OD1 ASN A 61 14.270 -2.002 -3.788 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.516 -4.092 -4.575 1.00 0.00 N ATOM 0 H ASN A 61 12.155 -5.199 -2.639 1.00 0.00 H new ATOM 0 HA ASN A 61 11.484 -2.313 -2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.088 -4.018 -5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.938 -2.273 -5.031 1.00 0.00 H new ATOM 0 HD21 ASN A 61 15.527 -4.072 -4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.069 -4.925 -4.957 1.00 0.00 H new ATOM 930 N CYS A 62 9.594 -4.718 -2.770 1.00 0.00 N ATOM 931 CA CYS A 62 8.235 -5.216 -2.957 1.00 0.00 C ATOM 932 C CYS A 62 7.466 -5.206 -1.641 1.00 0.00 C ATOM 933 O CYS A 62 8.032 -5.456 -0.577 1.00 0.00 O ATOM 934 CB CYS A 62 8.263 -6.631 -3.535 1.00 0.00 C ATOM 935 SG CYS A 62 6.720 -7.134 -4.332 1.00 0.00 S ATOM 0 H CYS A 62 10.132 -5.218 -2.062 1.00 0.00 H new ATOM 0 HA CYS A 62 7.726 -4.555 -3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.073 -6.699 -4.261 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.492 -7.334 -2.734 1.00 0.00 H new ATOM 0 HG CYS A 62 6.843 -8.344 -4.791 1.00 0.00 H new ATOM 941 N VAL A 63 6.171 -4.914 -1.719 1.00 0.00 N ATOM 942 CA VAL A 63 5.324 -4.870 -0.534 1.00 0.00 C ATOM 943 C VAL A 63 4.165 -5.854 -0.651 1.00 0.00 C ATOM 944 O VAL A 63 3.668 -6.118 -1.746 1.00 0.00 O ATOM 945 CB VAL A 63 4.761 -3.456 -0.297 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.878 -2.424 -0.332 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.690 -3.131 -1.328 1.00 0.00 C ATOM 0 H VAL A 63 5.686 -4.704 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 63 5.951 -5.149 0.313 1.00 0.00 H new ATOM 0 HB VAL A 63 4.303 -3.426 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.461 -1.431 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.606 -2.650 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.368 -2.451 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.303 -2.129 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.121 -3.178 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.878 -3.854 -1.249 1.00 0.00 H new ATOM 957 N THR A 64 3.737 -6.394 0.486 1.00 0.00 N ATOM 958 CA THR A 64 2.637 -7.349 0.512 1.00 0.00 C ATOM 959 C THR A 64 1.355 -6.698 1.020 1.00 0.00 C ATOM 960 O THR A 64 1.170 -6.525 2.224 1.00 0.00 O ATOM 961 CB THR A 64 2.968 -8.564 1.399 1.00 0.00 C ATOM 962 OG1 THR A 64 4.176 -9.187 0.947 1.00 0.00 O ATOM 963 CG2 THR A 64 1.832 -9.575 1.379 1.00 0.00 C ATOM 0 H THR A 64 4.136 -6.186 1.401 1.00 0.00 H new ATOM 0 HA THR A 64 2.488 -7.687 -0.514 1.00 0.00 H new ATOM 0 HB THR A 64 3.102 -8.212 2.422 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.380 -9.957 1.517 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.089 -10.424 2.013 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.921 -9.106 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.670 -9.920 0.358 1.00 0.00 H new ATOM 971 N VAL A 65 0.472 -6.339 0.093 1.00 0.00 N ATOM 972 CA VAL A 65 -0.794 -5.708 0.447 1.00 0.00 C ATOM 973 C VAL A 65 -1.884 -6.751 0.667 1.00 0.00 C ATOM 974 O VAL A 65 -2.234 -7.502 -0.244 1.00 0.00 O ATOM 975 CB VAL A 65 -1.254 -4.722 -0.643 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.586 -4.092 -0.266 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.196 -3.654 -0.874 1.00 0.00 C ATOM 0 H VAL A 65 0.610 -6.474 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.627 -5.160 1.374 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.391 -5.273 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.895 -3.398 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.339 -4.872 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.480 -3.553 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.537 -2.965 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.026 -3.104 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.734 -4.126 -1.192 1.00 0.00 H new ATOM 987 N THR A 66 -2.421 -6.791 1.883 1.00 0.00 N ATOM 988 CA THR A 66 -3.472 -7.741 2.224 1.00 0.00 C ATOM 989 C THR A 66 -4.853 -7.122 2.043 1.00 0.00 C ATOM 990 O THR A 66 -5.005 -5.901 2.073 1.00 0.00 O ATOM 991 CB THR A 66 -3.331 -8.238 3.675 1.00 0.00 C ATOM 992 OG1 THR A 66 -1.946 -8.398 4.006 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.059 -9.559 3.868 1.00 0.00 C ATOM 0 H THR A 66 -2.145 -6.176 2.648 1.00 0.00 H new ATOM 0 HA THR A 66 -3.365 -8.587 1.546 1.00 0.00 H new ATOM 0 HB THR A 66 -3.779 -7.495 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.865 -8.713 4.931 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.945 -9.890 4.900 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.118 -9.427 3.644 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.637 -10.308 3.198 1.00 0.00 H new ATOM 1001 N GLY A 67 -5.858 -7.972 1.856 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.214 -7.488 1.673 1.00 0.00 C ATOM 1003 C GLY A 67 -7.890 -8.102 0.463 1.00 0.00 C ATOM 1004 O GLY A 67 -7.236 -8.728 -0.372 1.00 0.00 O ATOM 0 H GLY A 67 -5.758 -8.987 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.800 -7.711 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.198 -6.403 1.565 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.203 -7.923 0.368 1.00 0.00 N ATOM 1009 CA LEU A 68 -9.970 -8.466 -0.749 1.00 0.00 C ATOM 1010 C LEU A 68 -9.330 -8.090 -2.082 1.00 0.00 C ATOM 1011 O LEU A 68 -8.621 -7.090 -2.198 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.411 -7.955 -0.699 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.307 -8.578 0.372 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.219 -10.095 0.325 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -11.926 -8.062 1.752 1.00 0.00 C ATOM 0 H LEU A 68 -9.759 -7.407 1.050 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.973 -9.553 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.388 -6.877 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.870 -8.126 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.338 -8.288 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.863 -10.521 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.541 -10.448 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.189 -10.405 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.574 -8.516 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.889 -8.321 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.042 -6.979 1.780 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.588 -8.908 -3.113 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.049 -8.680 -4.458 1.00 0.00 C ATOM 1029 C PRO A 69 -9.677 -7.467 -5.136 1.00 0.00 C ATOM 1030 O PRO A 69 -9.145 -6.950 -6.117 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.417 -9.962 -5.209 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.610 -10.493 -4.491 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.425 -10.117 -3.047 1.00 0.00 C ATOM 0 HA PRO A 69 -7.979 -8.473 -4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.644 -9.757 -6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.596 -10.678 -5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.529 -10.065 -4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.686 -11.574 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.379 -9.919 -2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -9.937 -10.913 -2.484 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.810 -7.018 -4.605 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.509 -5.865 -5.160 1.00 0.00 C ATOM 1043 C GLU A 70 -10.996 -4.568 -4.542 1.00 0.00 C ATOM 1044 O GLU A 70 -11.072 -3.504 -5.155 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.016 -5.993 -4.927 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.404 -6.017 -3.458 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.905 -6.091 -3.252 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.473 -7.191 -3.413 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.511 -5.047 -2.931 1.00 0.00 O ATOM 0 H GLU A 70 -11.263 -7.435 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.316 -5.837 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.523 -5.160 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.373 -6.906 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.932 -6.873 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.018 -5.123 -2.969 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.474 -4.666 -3.324 1.00 0.00 N ATOM 1057 CA ASN A 71 -9.949 -3.500 -2.621 1.00 0.00 C ATOM 1058 C ASN A 71 -8.461 -3.321 -2.902 1.00 0.00 C ATOM 1059 O ASN A 71 -7.999 -2.213 -3.175 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.183 -3.639 -1.116 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.587 -3.236 -0.709 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.268 -2.504 -1.428 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.027 -3.713 0.450 1.00 0.00 N ATOM 0 H ASN A 71 -10.403 -5.540 -2.803 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.477 -2.618 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.003 -4.672 -0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.461 -3.022 -0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.964 -3.476 0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.428 -4.317 1.013 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.714 -4.419 -2.834 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.278 -4.384 -3.082 1.00 0.00 C ATOM 1072 C VAL A 72 -5.968 -3.716 -4.417 1.00 0.00 C ATOM 1073 O VAL A 72 -5.212 -2.746 -4.476 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.673 -5.800 -3.077 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.179 -5.743 -3.357 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.948 -6.491 -1.750 1.00 0.00 C ATOM 0 H VAL A 72 -8.080 -5.344 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.831 -3.803 -2.275 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.145 -6.381 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.769 -6.753 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.009 -5.289 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.687 -5.146 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.514 -7.491 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.503 -5.913 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.024 -6.565 -1.595 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.557 -4.241 -5.487 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.342 -3.695 -6.822 1.00 0.00 C ATOM 1088 C GLU A 73 -6.392 -2.170 -6.800 1.00 0.00 C ATOM 1089 O GLU A 73 -5.512 -1.502 -7.343 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.392 -4.236 -7.794 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.822 -3.993 -7.342 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.841 -4.674 -8.236 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.610 -5.839 -8.619 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.869 -4.039 -8.553 1.00 0.00 O ATOM 0 H GLU A 73 -7.186 -5.043 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.352 -4.005 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.245 -3.773 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.238 -5.307 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.942 -4.353 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.017 -2.921 -7.327 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.428 -1.626 -6.169 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.593 -0.180 -6.078 1.00 0.00 C ATOM 1103 C GLU A 74 -6.436 0.452 -5.308 1.00 0.00 C ATOM 1104 O GLU A 74 -5.884 1.471 -5.723 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.920 0.162 -5.398 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.139 -0.319 -6.166 1.00 0.00 C ATOM 1107 CD GLU A 74 -10.061 0.003 -7.646 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -10.192 1.194 -8.001 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -9.870 -0.934 -8.449 1.00 0.00 O ATOM 0 H GLU A 74 -8.165 -2.164 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.597 0.224 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.932 -0.279 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.985 1.242 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.243 -1.396 -6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.033 0.140 -5.745 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.077 -0.159 -4.184 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.986 0.342 -3.357 1.00 0.00 C ATOM 1118 C ALA A 75 -3.692 0.444 -4.158 1.00 0.00 C ATOM 1119 O ALA A 75 -2.996 1.458 -4.102 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.789 -0.555 -2.144 1.00 0.00 C ATOM 0 H ALA A 75 -6.526 -1.002 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.251 1.343 -3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.971 -0.169 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.704 -0.573 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.550 -1.566 -2.474 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.377 -0.611 -4.901 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.166 -0.639 -5.712 1.00 0.00 C ATOM 1128 C ILE A 76 -2.071 0.598 -6.599 1.00 0.00 C ATOM 1129 O ILE A 76 -1.100 1.352 -6.529 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.111 -1.897 -6.598 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.107 -3.158 -5.731 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.883 -1.860 -7.495 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.572 -4.397 -6.464 1.00 0.00 C ATOM 0 H ILE A 76 -3.943 -1.458 -4.958 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.323 -0.654 -5.021 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.998 -1.917 -7.231 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.098 -3.326 -5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.749 -2.996 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.858 -2.756 -8.115 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.925 -0.978 -8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.016 -1.820 -6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.543 -5.252 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.592 -4.249 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.916 -4.584 -7.314 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.086 0.802 -7.432 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.119 1.950 -8.331 1.00 0.00 C ATOM 1147 C ASP A 77 -2.733 3.229 -7.594 1.00 0.00 C ATOM 1148 O ASP A 77 -2.049 4.092 -8.144 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.510 2.101 -8.948 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.507 3.001 -10.168 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -4.314 2.482 -11.288 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -4.699 4.224 -10.003 1.00 0.00 O ATOM 0 H ASP A 77 -3.897 0.187 -7.503 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.394 1.779 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.890 1.118 -9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.193 2.507 -8.202 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.178 3.344 -6.347 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.880 4.518 -5.534 1.00 0.00 C ATOM 1159 C HIS A 78 -1.417 4.522 -5.102 1.00 0.00 C ATOM 1160 O HIS A 78 -0.763 5.566 -5.102 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.787 4.557 -4.304 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.530 5.729 -3.408 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.477 6.696 -3.144 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.426 6.085 -2.711 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.966 7.598 -2.325 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.722 7.250 -2.046 1.00 0.00 N ATOM 0 H HIS A 78 -3.746 2.639 -5.877 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.064 5.405 -6.140 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.827 4.580 -4.630 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.652 3.638 -3.734 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.424 6.712 -3.522 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.487 5.552 -2.683 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.478 8.471 -1.948 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.910 3.350 -4.734 1.00 0.00 N ATOM 1175 CA ILE A 79 0.476 3.220 -4.301 1.00 0.00 C ATOM 1176 C ILE A 79 1.440 3.611 -5.416 1.00 0.00 C ATOM 1177 O ILE A 79 2.260 4.515 -5.253 1.00 0.00 O ATOM 1178 CB ILE A 79 0.790 1.783 -3.845 1.00 0.00 C ATOM 1179 CG1 ILE A 79 -0.090 1.398 -2.655 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.263 1.651 -3.487 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.086 -0.038 -2.213 1.00 0.00 C ATOM 0 H ILE A 79 -1.438 2.477 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 79 0.608 3.897 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 79 0.574 1.101 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.136 2.058 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.135 1.563 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.469 0.630 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.872 1.888 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.504 2.341 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.569 -0.241 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.169 -0.706 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.122 -0.204 -1.919 1.00 0.00 H new ATOM 1193 N LEU A 80 1.335 2.925 -6.548 1.00 0.00 N ATOM 1194 CA LEU A 80 2.196 3.201 -7.693 1.00 0.00 C ATOM 1195 C LEU A 80 2.055 4.651 -8.143 1.00 0.00 C ATOM 1196 O LEU A 80 3.008 5.254 -8.634 1.00 0.00 O ATOM 1197 CB LEU A 80 1.857 2.260 -8.850 1.00 0.00 C ATOM 1198 CG LEU A 80 2.574 0.909 -8.850 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.842 -0.083 -9.740 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.017 1.072 -9.304 1.00 0.00 C ATOM 0 H LEU A 80 0.662 2.173 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 80 3.229 3.034 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.782 2.078 -8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.086 2.770 -9.786 1.00 0.00 H new ATOM 0 HG LEU A 80 2.576 0.520 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.366 -1.039 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.826 -0.222 -9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.808 0.299 -10.760 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.512 0.101 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.037 1.483 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.537 1.749 -8.626 1.00 0.00 H new ATOM 1212 N ASN A 81 0.860 5.206 -7.970 1.00 0.00 N ATOM 1213 CA ASN A 81 0.595 6.587 -8.357 1.00 0.00 C ATOM 1214 C ASN A 81 1.547 7.543 -7.647 1.00 0.00 C ATOM 1215 O ASN A 81 2.132 8.431 -8.269 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.854 6.959 -8.035 1.00 0.00 C ATOM 1217 CG ASN A 81 -1.026 8.443 -7.777 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.264 9.266 -8.286 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -2.031 8.793 -6.983 1.00 0.00 N ATOM 0 H ASN A 81 0.060 4.721 -7.564 1.00 0.00 H new ATOM 0 HA ASN A 81 0.756 6.675 -9.432 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.496 6.660 -8.864 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.184 6.400 -7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.196 9.777 -6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.638 8.077 -6.583 1.00 0.00 H new ATOM 1226 N LEU A 82 1.699 7.356 -6.340 1.00 0.00 N ATOM 1227 CA LEU A 82 2.582 8.202 -5.544 1.00 0.00 C ATOM 1228 C LEU A 82 4.044 7.842 -5.784 1.00 0.00 C ATOM 1229 O LEU A 82 4.928 8.690 -5.672 1.00 0.00 O ATOM 1230 CB LEU A 82 2.248 8.063 -4.057 1.00 0.00 C ATOM 1231 CG LEU A 82 0.818 8.425 -3.654 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.578 8.095 -2.188 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.544 9.897 -3.923 1.00 0.00 C ATOM 0 H LEU A 82 1.223 6.627 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 82 2.427 9.237 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.439 7.033 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.934 8.692 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 82 0.130 7.833 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.445 8.359 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.732 7.028 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.274 8.661 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.478 10.136 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.239 10.508 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.675 10.103 -4.985 1.00 0.00 H new ATOM 1245 N GLU A 83 4.290 6.578 -6.117 1.00 0.00 N ATOM 1246 CA GLU A 83 5.646 6.107 -6.375 1.00 0.00 C ATOM 1247 C GLU A 83 6.321 6.954 -7.451 1.00 0.00 C ATOM 1248 O GLU A 83 7.484 7.332 -7.317 1.00 0.00 O ATOM 1249 CB GLU A 83 5.626 4.639 -6.805 1.00 0.00 C ATOM 1250 CG GLU A 83 7.000 4.087 -7.148 1.00 0.00 C ATOM 1251 CD GLU A 83 6.943 2.990 -8.194 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.803 1.810 -7.810 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.038 3.313 -9.397 1.00 0.00 O ATOM 0 H GLU A 83 3.569 5.863 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 83 6.218 6.200 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.193 4.040 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.974 4.532 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.633 4.897 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.467 3.698 -6.243 1.00 0.00 H new ATOM 1260 N GLU A 84 5.581 7.246 -8.516 1.00 0.00 N ATOM 1261 CA GLU A 84 6.109 8.047 -9.615 1.00 0.00 C ATOM 1262 C GLU A 84 6.361 9.484 -9.169 1.00 0.00 C ATOM 1263 O GLU A 84 7.420 10.051 -9.437 1.00 0.00 O ATOM 1264 CB GLU A 84 5.139 8.031 -10.798 1.00 0.00 C ATOM 1265 CG GLU A 84 5.804 8.318 -12.134 1.00 0.00 C ATOM 1266 CD GLU A 84 6.577 7.128 -12.669 1.00 0.00 C ATOM 1267 OE1 GLU A 84 7.722 6.914 -12.220 1.00 0.00 O ATOM 1268 OE2 GLU A 84 6.035 6.411 -13.536 1.00 0.00 O ATOM 0 H GLU A 84 4.616 6.941 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 84 7.058 7.610 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.653 7.056 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.356 8.769 -10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.044 8.608 -12.859 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.480 9.166 -12.024 1.00 0.00 H new ATOM 1275 N GLU A 85 5.380 10.067 -8.487 1.00 0.00 N ATOM 1276 CA GLU A 85 5.495 11.438 -8.005 1.00 0.00 C ATOM 1277 C GLU A 85 6.781 11.628 -7.205 1.00 0.00 C ATOM 1278 O GLU A 85 7.552 12.553 -7.460 1.00 0.00 O ATOM 1279 CB GLU A 85 4.286 11.802 -7.140 1.00 0.00 C ATOM 1280 CG GLU A 85 4.412 13.151 -6.453 1.00 0.00 C ATOM 1281 CD GLU A 85 4.357 14.310 -7.429 1.00 0.00 C ATOM 1282 OE1 GLU A 85 5.086 14.267 -8.442 1.00 0.00 O ATOM 1283 OE2 GLU A 85 3.586 15.260 -7.181 1.00 0.00 O ATOM 0 H GLU A 85 4.497 9.611 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 85 5.525 12.098 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.392 11.803 -7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.146 11.030 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.611 13.258 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.352 13.188 -5.903 1.00 0.00 H new ATOM 1290 N TYR A 86 7.004 10.746 -6.238 1.00 0.00 N ATOM 1291 CA TYR A 86 8.194 10.817 -5.398 1.00 0.00 C ATOM 1292 C TYR A 86 9.461 10.681 -6.237 1.00 0.00 C ATOM 1293 O TYR A 86 10.359 11.522 -6.167 1.00 0.00 O ATOM 1294 CB TYR A 86 8.157 9.723 -4.330 1.00 0.00 C ATOM 1295 CG TYR A 86 7.150 9.982 -3.232 1.00 0.00 C ATOM 1296 CD1 TYR A 86 7.197 11.151 -2.482 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.152 9.059 -2.946 1.00 0.00 C ATOM 1298 CE1 TYR A 86 6.280 11.392 -1.477 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.230 9.293 -1.944 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.299 10.460 -1.212 1.00 0.00 C ATOM 1301 OH TYR A 86 4.382 10.697 -0.213 1.00 0.00 O ATOM 0 H TYR A 86 6.377 9.973 -6.016 1.00 0.00 H new ATOM 0 HA TYR A 86 8.205 11.791 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.926 8.770 -4.806 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.148 9.626 -3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.963 11.884 -2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.096 8.144 -3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.331 12.305 -0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.459 8.566 -1.735 1.00 0.00 H new ATOM 0 HH TYR A 86 4.674 10.253 0.611 1.00 0.00 H new ATOM 1311 N LEU A 87 9.526 9.618 -7.031 1.00 0.00 N ATOM 1312 CA LEU A 87 10.683 9.371 -7.885 1.00 0.00 C ATOM 1313 C LEU A 87 11.008 10.598 -8.730 1.00 0.00 C ATOM 1314 O LEU A 87 12.172 10.965 -8.887 1.00 0.00 O ATOM 1315 CB LEU A 87 10.423 8.167 -8.793 1.00 0.00 C ATOM 1316 CG LEU A 87 10.610 6.791 -8.153 1.00 0.00 C ATOM 1317 CD1 LEU A 87 9.905 5.721 -8.972 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.089 6.467 -8.008 1.00 0.00 C ATOM 0 H LEU A 87 8.792 8.914 -7.101 1.00 0.00 H new ATOM 0 HA LEU A 87 11.538 9.158 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.402 8.235 -9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.086 8.238 -9.655 1.00 0.00 H new ATOM 0 HG LEU A 87 10.164 6.810 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.049 4.749 -8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.840 5.945 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.320 5.701 -9.980 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.203 5.484 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.559 6.467 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.566 7.218 -7.378 1.00 0.00 H new ATOM 1330 N ALA A 88 9.971 11.231 -9.270 1.00 0.00 N ATOM 1331 CA ALA A 88 10.146 12.419 -10.095 1.00 0.00 C ATOM 1332 C ALA A 88 11.134 13.390 -9.457 1.00 0.00 C ATOM 1333 O ALA A 88 11.771 14.186 -10.147 1.00 0.00 O ATOM 1334 CB ALA A 88 8.807 13.103 -10.326 1.00 0.00 C ATOM 0 H ALA A 88 9.001 10.940 -9.150 1.00 0.00 H new ATOM 0 HA ALA A 88 10.553 12.106 -11.057 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.953 13.989 -10.944 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.130 12.415 -10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.378 13.396 -9.368 1.00 0.00 H new