USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 23 MET CE :methyl 148:sc= -3.02! (180deg=-5.44!) USER MOD Set 1.2: A 86 THR OG1 : rot -79:sc= -2.22! USER MOD Set 2.1: A 76 GLN : amide:sc= -9.94! C(o=-17!,f=-23!) USER MOD Set 2.2: A 83 MET CE :methyl -124:sc= -7.51! (180deg=-7.39!) USER MOD Single : A 14 THR OG1 : rot 20:sc= 0.908 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0163 K(o=-0.016,f=-1.2!) USER MOD Single : A 21 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.7!) USER MOD Single : A 26 SER OG : rot 160:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -100:sc= -0.178! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0224 K(o=-0.022,f=-1.5) USER MOD Single : A 65 SER OG : rot 160:sc= -2.67! USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 44:sc= 0.151 USER MOD Single : A 87 SER OG : rot 99:sc= -0.198! USER MOD Single : A 88 SER OG : rot 11:sc= 0.911 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -3.914 -6.087 -7.497 1.00 0.00 N ATOM 154 CA GLU A 11 -4.217 -4.936 -8.331 1.00 0.00 C ATOM 155 C GLU A 11 -3.269 -3.781 -8.004 1.00 0.00 C ATOM 156 O GLU A 11 -2.887 -3.593 -6.850 1.00 0.00 O ATOM 157 CB GLU A 11 -5.678 -4.511 -8.169 1.00 0.00 C ATOM 158 CG GLU A 11 -6.256 -4.023 -9.501 1.00 0.00 C ATOM 159 CD GLU A 11 -7.786 -3.987 -9.453 1.00 0.00 C ATOM 160 OE1 GLU A 11 -8.343 -4.706 -8.595 1.00 0.00 O ATOM 161 OE2 GLU A 11 -8.362 -3.243 -10.273 1.00 0.00 O ATOM 0 HA GLU A 11 -4.069 -5.217 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.266 -5.351 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.750 -3.718 -7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.872 -3.028 -9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.929 -4.680 -10.306 1.00 0.00 H new ATOM 168 N ILE A 12 -2.916 -3.034 -9.042 1.00 0.00 N ATOM 169 CA ILE A 12 -2.021 -1.902 -8.879 1.00 0.00 C ATOM 170 C ILE A 12 -2.840 -0.652 -8.554 1.00 0.00 C ATOM 171 O ILE A 12 -3.569 -0.145 -9.407 1.00 0.00 O ATOM 172 CB ILE A 12 -1.124 -1.748 -10.108 1.00 0.00 C ATOM 173 CG1 ILE A 12 -0.221 -0.520 -9.978 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.955 -1.716 -11.393 1.00 0.00 C ATOM 175 CD1 ILE A 12 -1.026 0.772 -10.144 1.00 0.00 C ATOM 0 H ILE A 12 -3.234 -3.192 -9.998 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.346 -2.067 -8.039 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.473 -2.620 -10.167 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.268 -0.525 -9.004 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.566 -0.562 -10.731 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.293 -1.606 -12.252 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.518 -2.645 -11.486 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.647 -0.874 -11.358 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.361 1.630 -10.047 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.494 0.785 -11.128 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.797 0.822 -9.375 1.00 0.00 H new ATOM 187 N ILE A 13 -2.694 -0.190 -7.321 1.00 0.00 N ATOM 188 CA ILE A 13 -3.412 0.991 -6.875 1.00 0.00 C ATOM 189 C ILE A 13 -2.443 2.172 -6.797 1.00 0.00 C ATOM 190 O ILE A 13 -1.273 1.998 -6.460 1.00 0.00 O ATOM 191 CB ILE A 13 -4.143 0.710 -5.562 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.552 -0.762 -5.467 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.338 1.649 -5.387 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.246 -1.222 -6.750 1.00 0.00 C ATOM 0 H ILE A 13 -2.089 -0.613 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.187 1.259 -7.594 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.456 0.908 -4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.671 -1.377 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.220 -0.903 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.840 1.427 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.991 2.682 -5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.036 1.507 -6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.526 -2.271 -6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.140 -0.621 -6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.567 -1.102 -7.594 1.00 0.00 H new ATOM 206 N THR A 14 -2.965 3.347 -7.116 1.00 0.00 N ATOM 207 CA THR A 14 -2.161 4.558 -7.086 1.00 0.00 C ATOM 208 C THR A 14 -2.860 5.642 -6.263 1.00 0.00 C ATOM 209 O THR A 14 -3.892 6.171 -6.674 1.00 0.00 O ATOM 210 CB THR A 14 -1.881 4.975 -8.530 1.00 0.00 C ATOM 211 OG1 THR A 14 -3.169 5.289 -9.055 1.00 0.00 O ATOM 212 CG2 THR A 14 -1.402 3.807 -9.395 1.00 0.00 C ATOM 0 H THR A 14 -3.936 3.487 -7.397 1.00 0.00 H new ATOM 0 HA THR A 14 -1.205 4.386 -6.592 1.00 0.00 H new ATOM 0 HB THR A 14 -1.131 5.766 -8.541 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.791 5.456 -8.317 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.218 4.158 -10.410 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.480 3.400 -8.979 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.166 3.030 -9.413 1.00 0.00 H new ATOM 220 N VAL A 15 -2.267 5.943 -5.116 1.00 0.00 N ATOM 221 CA VAL A 15 -2.820 6.955 -4.233 1.00 0.00 C ATOM 222 C VAL A 15 -1.959 8.219 -4.310 1.00 0.00 C ATOM 223 O VAL A 15 -0.816 8.224 -3.854 1.00 0.00 O ATOM 224 CB VAL A 15 -2.940 6.400 -2.811 1.00 0.00 C ATOM 225 CG1 VAL A 15 -4.387 6.465 -2.318 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.398 4.972 -2.733 1.00 0.00 C ATOM 0 H VAL A 15 -1.410 5.504 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.827 7.227 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.334 7.025 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.445 6.065 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.725 7.501 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.023 5.875 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.495 4.601 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.965 4.330 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.347 4.965 -3.023 1.00 0.00 H new ATOM 236 N THR A 16 -2.541 9.256 -4.891 1.00 0.00 N ATOM 237 CA THR A 16 -1.841 10.523 -5.035 1.00 0.00 C ATOM 238 C THR A 16 -2.307 11.514 -3.965 1.00 0.00 C ATOM 239 O THR A 16 -3.488 11.848 -3.898 1.00 0.00 O ATOM 240 CB THR A 16 -2.059 11.024 -6.464 1.00 0.00 C ATOM 241 OG1 THR A 16 -1.836 9.873 -7.274 1.00 0.00 O ATOM 242 CG2 THR A 16 -0.975 12.008 -6.910 1.00 0.00 C ATOM 0 H THR A 16 -3.489 9.247 -5.268 1.00 0.00 H new ATOM 0 HA THR A 16 -0.769 10.403 -4.878 1.00 0.00 H new ATOM 0 HB THR A 16 -3.036 11.502 -6.536 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.959 10.108 -8.217 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.176 12.333 -7.931 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.974 12.873 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.001 11.519 -6.870 1.00 0.00 H new ATOM 250 N LEU A 17 -1.354 11.953 -3.158 1.00 0.00 N ATOM 251 CA LEU A 17 -1.651 12.899 -2.095 1.00 0.00 C ATOM 252 C LEU A 17 -2.644 13.943 -2.611 1.00 0.00 C ATOM 253 O LEU A 17 -2.335 14.693 -3.536 1.00 0.00 O ATOM 254 CB LEU A 17 -0.361 13.500 -1.536 1.00 0.00 C ATOM 255 CG LEU A 17 0.305 12.721 -0.401 1.00 0.00 C ATOM 256 CD1 LEU A 17 0.557 13.620 0.811 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.512 11.480 -0.034 1.00 0.00 C ATOM 0 H LEU A 17 -0.375 11.672 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.128 12.392 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.355 13.597 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.577 14.507 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 17 1.278 12.375 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.031 13.039 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.211 14.443 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.391 14.018 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.016 10.944 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.508 11.783 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.594 10.828 -0.904 1.00 0.00 H new ATOM 269 N LYS A 18 -3.813 13.958 -1.990 1.00 0.00 N ATOM 270 CA LYS A 18 -4.852 14.899 -2.375 1.00 0.00 C ATOM 271 C LYS A 18 -4.866 16.069 -1.389 1.00 0.00 C ATOM 272 O LYS A 18 -4.945 17.226 -1.795 1.00 0.00 O ATOM 273 CB LYS A 18 -6.200 14.186 -2.502 1.00 0.00 C ATOM 274 CG LYS A 18 -7.281 15.144 -3.007 1.00 0.00 C ATOM 275 CD LYS A 18 -7.623 14.863 -4.472 1.00 0.00 C ATOM 276 CE LYS A 18 -6.901 15.842 -5.400 1.00 0.00 C ATOM 277 NZ LYS A 18 -6.381 15.135 -6.592 1.00 0.00 N ATOM 0 H LYS A 18 -4.065 13.334 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.643 15.315 -3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.107 13.343 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.493 13.779 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.177 15.042 -2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.938 16.173 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.342 13.841 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.700 14.943 -4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.585 16.633 -5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.080 16.321 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.894 15.813 -7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.713 14.396 -6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.171 14.699 -7.109 1.00 0.00 H new ATOM 291 N LYS A 19 -4.789 15.726 -0.112 1.00 0.00 N ATOM 292 CA LYS A 19 -4.791 16.733 0.935 1.00 0.00 C ATOM 293 C LYS A 19 -3.350 17.064 1.323 1.00 0.00 C ATOM 294 O LYS A 19 -3.110 17.952 2.140 1.00 0.00 O ATOM 295 CB LYS A 19 -5.655 16.279 2.113 1.00 0.00 C ATOM 296 CG LYS A 19 -5.676 17.335 3.220 1.00 0.00 C ATOM 297 CD LYS A 19 -6.915 17.183 4.103 1.00 0.00 C ATOM 298 CE LYS A 19 -8.157 17.744 3.406 1.00 0.00 C ATOM 299 NZ LYS A 19 -8.377 19.154 3.795 1.00 0.00 N ATOM 0 H LYS A 19 -4.725 14.764 0.222 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.244 17.656 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.672 16.087 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.270 15.340 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.777 17.244 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.661 18.331 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.071 16.130 4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.758 17.702 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.038 17.673 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.030 17.147 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.223 19.519 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.512 19.213 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.550 19.723 3.521 1.00 0.00 H new ATOM 313 N GLN A 20 -2.425 16.331 0.720 1.00 0.00 N ATOM 314 CA GLN A 20 -1.012 16.536 0.991 1.00 0.00 C ATOM 315 C GLN A 20 -0.737 16.414 2.491 1.00 0.00 C ATOM 316 O GLN A 20 0.031 17.195 3.049 1.00 0.00 O ATOM 317 CB GLN A 20 -0.541 17.889 0.454 1.00 0.00 C ATOM 318 CG GLN A 20 -0.687 17.955 -1.068 1.00 0.00 C ATOM 319 CD GLN A 20 -0.490 19.387 -1.574 1.00 0.00 C ATOM 320 OE1 GLN A 20 -0.729 20.358 -0.876 1.00 0.00 O ATOM 321 NE2 GLN A 20 -0.041 19.461 -2.823 1.00 0.00 N ATOM 0 H GLN A 20 -2.627 15.594 0.044 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.446 15.761 0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.121 18.689 0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.501 18.052 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.044 17.296 -1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.674 17.595 -1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.139 18.607 -3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.124 20.371 -3.253 1.00 0.00 H new ATOM 330 N ASN A 21 -1.379 15.427 3.099 1.00 0.00 N ATOM 331 CA ASN A 21 -1.213 15.193 4.524 1.00 0.00 C ATOM 332 C ASN A 21 -0.147 14.120 4.740 1.00 0.00 C ATOM 333 O ASN A 21 -0.328 13.214 5.550 1.00 0.00 O ATOM 334 CB ASN A 21 -2.515 14.701 5.158 1.00 0.00 C ATOM 335 CG ASN A 21 -3.049 15.713 6.172 1.00 0.00 C ATOM 336 OD1 ASN A 21 -4.093 16.321 5.993 1.00 0.00 O ATOM 337 ND2 ASN A 21 -2.279 15.862 7.246 1.00 0.00 N ATOM 0 H ASN A 21 -2.015 14.781 2.631 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.921 16.135 4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.260 14.532 4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.345 13.743 5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.550 16.515 7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.418 15.323 7.335 1.00 0.00 H new ATOM 344 N GLY A 22 0.944 14.257 3.998 1.00 0.00 N ATOM 345 CA GLY A 22 2.040 13.307 4.098 1.00 0.00 C ATOM 346 C GLY A 22 1.647 11.951 3.505 1.00 0.00 C ATOM 347 O GLY A 22 2.311 11.450 2.600 1.00 0.00 O ATOM 0 H GLY A 22 1.092 15.010 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.913 13.697 3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.324 13.182 5.143 1.00 0.00 H new ATOM 351 N MET A 23 0.570 11.397 4.043 1.00 0.00 N ATOM 352 CA MET A 23 0.081 10.109 3.579 1.00 0.00 C ATOM 353 C MET A 23 -0.965 9.542 4.540 1.00 0.00 C ATOM 354 O MET A 23 -2.164 9.643 4.289 1.00 0.00 O ATOM 355 CB MET A 23 1.251 9.131 3.461 1.00 0.00 C ATOM 356 CG MET A 23 1.431 8.664 2.016 1.00 0.00 C ATOM 357 SD MET A 23 3.062 9.092 1.432 1.00 0.00 S ATOM 358 CE MET A 23 3.938 7.586 1.826 1.00 0.00 C ATOM 0 H MET A 23 0.023 11.816 4.795 1.00 0.00 H new ATOM 0 HA MET A 23 -0.386 10.248 2.604 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.166 9.610 3.809 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.076 8.270 4.106 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.285 7.586 1.953 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.676 9.125 1.380 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.726 7.421 1.092 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.379 7.671 2.819 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.244 6.746 1.808 1.00 0.00 H new ATOM 368 N GLY A 24 -0.471 8.956 5.621 1.00 0.00 N ATOM 369 CA GLY A 24 -1.348 8.370 6.621 1.00 0.00 C ATOM 370 C GLY A 24 -1.780 6.960 6.215 1.00 0.00 C ATOM 371 O GLY A 24 -2.967 6.704 6.019 1.00 0.00 O ATOM 0 H GLY A 24 0.525 8.874 5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.836 8.334 7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.228 9.000 6.752 1.00 0.00 H new ATOM 375 N LEU A 25 -0.794 6.083 6.099 1.00 0.00 N ATOM 376 CA LEU A 25 -1.058 4.705 5.719 1.00 0.00 C ATOM 377 C LEU A 25 -0.366 3.766 6.710 1.00 0.00 C ATOM 378 O LEU A 25 0.500 4.192 7.471 1.00 0.00 O ATOM 379 CB LEU A 25 -0.660 4.466 4.263 1.00 0.00 C ATOM 380 CG LEU A 25 -1.745 4.734 3.216 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.502 3.910 1.951 1.00 0.00 C ATOM 382 CD2 LEU A 25 -3.139 4.495 3.799 1.00 0.00 C ATOM 0 H LEU A 25 0.189 6.300 6.261 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.126 4.492 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.200 5.095 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.334 3.431 4.162 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.692 5.784 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.287 4.119 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.534 4.173 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.512 2.849 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.891 4.692 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.222 3.460 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.298 5.162 4.646 1.00 0.00 H new ATOM 394 N SER A 26 -0.773 2.506 6.664 1.00 0.00 N ATOM 395 CA SER A 26 -0.203 1.503 7.547 1.00 0.00 C ATOM 396 C SER A 26 -0.154 0.149 6.838 1.00 0.00 C ATOM 397 O SER A 26 -1.193 -0.412 6.492 1.00 0.00 O ATOM 398 CB SER A 26 -1.002 1.394 8.847 1.00 0.00 C ATOM 399 OG SER A 26 -0.164 1.130 9.969 1.00 0.00 O ATOM 0 H SER A 26 -1.491 2.157 6.029 1.00 0.00 H new ATOM 0 HA SER A 26 0.812 1.809 7.802 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.550 2.321 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.742 0.599 8.752 1.00 0.00 H new ATOM 0 HG SER A 26 -0.632 1.380 10.793 1.00 0.00 H new ATOM 405 N ILE A 27 1.064 -0.338 6.643 1.00 0.00 N ATOM 406 CA ILE A 27 1.260 -1.616 5.981 1.00 0.00 C ATOM 407 C ILE A 27 2.472 -2.322 6.594 1.00 0.00 C ATOM 408 O ILE A 27 3.232 -1.715 7.348 1.00 0.00 O ATOM 409 CB ILE A 27 1.360 -1.426 4.467 1.00 0.00 C ATOM 410 CG1 ILE A 27 2.812 -1.207 4.036 1.00 0.00 C ATOM 411 CG2 ILE A 27 0.447 -0.293 3.994 1.00 0.00 C ATOM 412 CD1 ILE A 27 2.883 -0.614 2.628 1.00 0.00 C ATOM 0 H ILE A 27 1.923 0.130 6.932 1.00 0.00 H new ATOM 0 HA ILE A 27 0.398 -2.264 6.141 1.00 0.00 H new ATOM 0 HB ILE A 27 1.015 -2.341 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.307 -0.539 4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.350 -2.155 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.538 -0.179 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.586 -0.528 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.738 0.637 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.926 -0.469 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.408 -1.295 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.365 0.345 2.611 1.00 0.00 H new ATOM 424 N VAL A 28 2.616 -3.593 6.249 1.00 0.00 N ATOM 425 CA VAL A 28 3.722 -4.385 6.755 1.00 0.00 C ATOM 426 C VAL A 28 4.073 -5.472 5.737 1.00 0.00 C ATOM 427 O VAL A 28 3.354 -5.666 4.756 1.00 0.00 O ATOM 428 CB VAL A 28 3.373 -4.949 8.133 1.00 0.00 C ATOM 429 CG1 VAL A 28 2.636 -6.285 8.008 1.00 0.00 C ATOM 430 CG2 VAL A 28 4.626 -5.095 8.999 1.00 0.00 C ATOM 0 H VAL A 28 1.984 -4.094 5.624 1.00 0.00 H new ATOM 0 HA VAL A 28 4.608 -3.764 6.886 1.00 0.00 H new ATOM 0 HB VAL A 28 2.705 -4.242 8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.399 -6.664 9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.713 -6.140 7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.270 -7.003 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.350 -5.498 9.973 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.328 -5.772 8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.094 -4.119 9.129 1.00 0.00 H new ATOM 440 N ALA A 29 5.180 -6.153 6.001 1.00 0.00 N ATOM 441 CA ALA A 29 5.634 -7.213 5.119 1.00 0.00 C ATOM 442 C ALA A 29 6.149 -8.383 5.962 1.00 0.00 C ATOM 443 O ALA A 29 6.989 -8.200 6.840 1.00 0.00 O ATOM 444 CB ALA A 29 6.701 -6.666 4.169 1.00 0.00 C ATOM 0 H ALA A 29 5.775 -5.990 6.813 1.00 0.00 H new ATOM 0 HA ALA A 29 4.811 -7.582 4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.042 -7.462 3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.278 -5.856 3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.545 -6.289 4.747 1.00 0.00 H new ATOM 450 N ALA A 30 5.624 -9.563 5.662 1.00 0.00 N ATOM 451 CA ALA A 30 6.019 -10.762 6.379 1.00 0.00 C ATOM 452 C ALA A 30 7.128 -11.474 5.601 1.00 0.00 C ATOM 453 O ALA A 30 7.159 -11.425 4.372 1.00 0.00 O ATOM 454 CB ALA A 30 4.794 -11.655 6.596 1.00 0.00 C ATOM 0 H ALA A 30 4.928 -9.713 4.931 1.00 0.00 H new ATOM 0 HA ALA A 30 6.416 -10.508 7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.091 -12.555 7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.048 -11.114 7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.370 -11.933 5.631 1.00 0.00 H new ATOM 576 N GLY A 39 4.830 -12.010 2.605 1.00 0.00 N ATOM 577 CA GLY A 39 3.908 -11.213 1.813 1.00 0.00 C ATOM 578 C GLY A 39 3.662 -9.851 2.464 1.00 0.00 C ATOM 579 O GLY A 39 3.826 -9.698 3.674 1.00 0.00 O ATOM 0 HA2 GLY A 39 4.312 -11.073 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.963 -11.744 1.705 1.00 0.00 H new ATOM 583 N ILE A 40 3.271 -8.897 1.634 1.00 0.00 N ATOM 584 CA ILE A 40 3.000 -7.552 2.114 1.00 0.00 C ATOM 585 C ILE A 40 1.491 -7.378 2.304 1.00 0.00 C ATOM 586 O ILE A 40 0.699 -7.947 1.557 1.00 0.00 O ATOM 587 CB ILE A 40 3.626 -6.513 1.182 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.832 -7.096 0.443 1.00 0.00 C ATOM 589 CG2 ILE A 40 3.982 -5.236 1.945 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.371 -6.109 -0.593 1.00 0.00 C ATOM 0 H ILE A 40 3.135 -9.028 0.632 1.00 0.00 H new ATOM 0 HA ILE A 40 3.465 -7.394 3.087 1.00 0.00 H new ATOM 0 HB ILE A 40 2.888 -6.241 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.617 -7.342 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.546 -8.026 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.425 -4.514 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.080 -4.812 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.695 -5.471 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.228 -6.549 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.592 -5.884 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.678 -5.190 -0.094 1.00 0.00 H new ATOM 602 N TYR A 41 1.142 -6.586 3.309 1.00 0.00 N ATOM 603 CA TYR A 41 -0.258 -6.330 3.606 1.00 0.00 C ATOM 604 C TYR A 41 -0.443 -4.934 4.203 1.00 0.00 C ATOM 605 O TYR A 41 0.513 -4.327 4.683 1.00 0.00 O ATOM 606 CB TYR A 41 -0.666 -7.375 4.646 1.00 0.00 C ATOM 607 CG TYR A 41 -0.404 -8.820 4.213 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.165 -9.388 3.212 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.592 -9.552 4.823 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.918 -10.748 2.804 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.840 -10.912 4.416 1.00 0.00 C ATOM 612 CZ TYR A 41 0.071 -11.442 3.427 1.00 0.00 C ATOM 613 OH TYR A 41 0.304 -12.725 3.042 1.00 0.00 O ATOM 0 H TYR A 41 1.803 -6.114 3.926 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.860 -6.386 2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.126 -7.181 5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.727 -7.259 4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.945 -8.814 2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.187 -9.106 5.606 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.505 -11.205 2.021 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.618 -11.496 4.885 1.00 0.00 H new ATOM 0 HH TYR A 41 1.040 -13.097 3.572 1.00 0.00 H new ATOM 623 N VAL A 42 -1.682 -4.465 4.155 1.00 0.00 N ATOM 624 CA VAL A 42 -2.006 -3.151 4.685 1.00 0.00 C ATOM 625 C VAL A 42 -2.681 -3.310 6.048 1.00 0.00 C ATOM 626 O VAL A 42 -3.643 -4.064 6.185 1.00 0.00 O ATOM 627 CB VAL A 42 -2.862 -2.379 3.679 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.476 -1.134 4.325 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.049 -2.007 2.437 1.00 0.00 C ATOM 0 H VAL A 42 -2.473 -4.971 3.757 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.100 -2.565 4.837 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.677 -3.030 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.080 -0.603 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.105 -1.432 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.681 -0.480 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.682 -1.459 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.205 -1.382 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.681 -2.914 1.958 1.00 0.00 H new ATOM 639 N LYS A 43 -2.150 -2.586 7.023 1.00 0.00 N ATOM 640 CA LYS A 43 -2.690 -2.636 8.371 1.00 0.00 C ATOM 641 C LYS A 43 -3.936 -1.749 8.451 1.00 0.00 C ATOM 642 O LYS A 43 -4.942 -2.138 9.043 1.00 0.00 O ATOM 643 CB LYS A 43 -1.611 -2.273 9.394 1.00 0.00 C ATOM 644 CG LYS A 43 -2.174 -2.296 10.817 1.00 0.00 C ATOM 645 CD LYS A 43 -1.580 -1.165 11.660 1.00 0.00 C ATOM 646 CE LYS A 43 -1.779 -1.433 13.153 1.00 0.00 C ATOM 647 NZ LYS A 43 -0.488 -1.342 13.871 1.00 0.00 N ATOM 0 H LYS A 43 -1.352 -1.962 6.906 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.004 -3.650 8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.781 -2.975 9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.213 -1.283 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.259 -2.199 10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.954 -3.256 11.284 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.516 -1.065 11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.051 -0.220 11.390 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.484 -0.712 13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.213 -2.422 13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.640 -1.526 14.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.174 -2.046 13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.089 -0.389 13.749 1.00 0.00 H new ATOM 661 N SER A 44 -3.828 -0.575 7.848 1.00 0.00 N ATOM 662 CA SER A 44 -4.931 0.370 7.843 1.00 0.00 C ATOM 663 C SER A 44 -4.412 1.780 7.556 1.00 0.00 C ATOM 664 O SER A 44 -3.204 2.003 7.509 1.00 0.00 O ATOM 665 CB SER A 44 -5.685 0.342 9.175 1.00 0.00 C ATOM 666 OG SER A 44 -4.838 -0.025 10.260 1.00 0.00 O ATOM 0 H SER A 44 -2.992 -0.256 7.359 1.00 0.00 H new ATOM 0 HA SER A 44 -5.627 0.080 7.056 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.116 1.324 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.514 -0.363 9.108 1.00 0.00 H new ATOM 0 HG SER A 44 -4.973 -0.972 10.474 1.00 0.00 H new ATOM 672 N VAL A 45 -5.352 2.695 7.371 1.00 0.00 N ATOM 673 CA VAL A 45 -5.005 4.078 7.089 1.00 0.00 C ATOM 674 C VAL A 45 -4.963 4.866 8.400 1.00 0.00 C ATOM 675 O VAL A 45 -5.832 4.700 9.256 1.00 0.00 O ATOM 676 CB VAL A 45 -5.984 4.666 6.070 1.00 0.00 C ATOM 677 CG1 VAL A 45 -6.138 3.740 4.862 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.340 4.956 6.714 1.00 0.00 C ATOM 0 H VAL A 45 -6.354 2.506 7.411 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.013 4.139 6.640 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.572 5.612 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.839 4.181 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.170 3.607 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.516 2.772 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.016 5.373 5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.761 4.031 7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.211 5.671 7.526 1.00 0.00 H new ATOM 688 N VAL A 46 -3.946 5.706 8.515 1.00 0.00 N ATOM 689 CA VAL A 46 -3.780 6.521 9.708 1.00 0.00 C ATOM 690 C VAL A 46 -5.146 7.036 10.162 1.00 0.00 C ATOM 691 O VAL A 46 -5.388 7.193 11.358 1.00 0.00 O ATOM 692 CB VAL A 46 -2.778 7.644 9.439 1.00 0.00 C ATOM 693 CG1 VAL A 46 -3.028 8.837 10.362 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.340 7.138 9.576 1.00 0.00 C ATOM 0 H VAL A 46 -3.228 5.841 7.803 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.369 5.925 10.523 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.921 7.981 8.412 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.301 9.621 10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.035 9.221 10.196 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.927 8.521 11.400 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.646 7.956 9.380 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.181 6.762 10.587 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.167 6.335 8.859 1.00 0.00 H new ATOM 704 N LYS A 47 -6.006 7.285 9.184 1.00 0.00 N ATOM 705 CA LYS A 47 -7.341 7.781 9.469 1.00 0.00 C ATOM 706 C LYS A 47 -7.311 9.308 9.536 1.00 0.00 C ATOM 707 O LYS A 47 -8.296 9.937 9.921 1.00 0.00 O ATOM 708 CB LYS A 47 -7.900 7.121 10.733 1.00 0.00 C ATOM 709 CG LYS A 47 -9.429 7.129 10.724 1.00 0.00 C ATOM 710 CD LYS A 47 -9.981 5.849 10.093 1.00 0.00 C ATOM 711 CE LYS A 47 -11.505 5.789 10.217 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.015 4.497 9.708 1.00 0.00 N ATOM 0 H LYS A 47 -5.803 7.152 8.193 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.026 7.511 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.538 6.095 10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.535 7.648 11.615 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.802 7.226 11.744 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.788 7.996 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.696 5.806 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.539 4.980 10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.796 5.917 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.954 6.610 9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.051 4.472 9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.753 4.390 8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.600 3.719 10.259 1.00 0.00 H new ATOM 726 N GLY A 48 -6.169 9.863 9.153 1.00 0.00 N ATOM 727 CA GLY A 48 -5.998 11.306 9.165 1.00 0.00 C ATOM 728 C GLY A 48 -4.926 11.739 8.162 1.00 0.00 C ATOM 729 O GLY A 48 -4.172 12.674 8.421 1.00 0.00 O ATOM 0 H GLY A 48 -5.354 9.339 8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.944 11.790 8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.719 11.634 10.166 1.00 0.00 H new ATOM 733 N GLY A 49 -4.896 11.038 7.038 1.00 0.00 N ATOM 734 CA GLY A 49 -3.931 11.337 5.995 1.00 0.00 C ATOM 735 C GLY A 49 -4.633 11.649 4.672 1.00 0.00 C ATOM 736 O GLY A 49 -5.854 11.555 4.576 1.00 0.00 O ATOM 0 H GLY A 49 -5.525 10.263 6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.318 12.187 6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.258 10.489 5.863 1.00 0.00 H new ATOM 740 N ALA A 50 -3.827 12.014 3.684 1.00 0.00 N ATOM 741 CA ALA A 50 -4.355 12.341 2.371 1.00 0.00 C ATOM 742 C ALA A 50 -4.898 11.069 1.713 1.00 0.00 C ATOM 743 O ALA A 50 -6.105 10.936 1.513 1.00 0.00 O ATOM 744 CB ALA A 50 -3.265 13.009 1.532 1.00 0.00 C ATOM 0 H ALA A 50 -2.813 12.090 3.767 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.180 13.048 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.663 13.254 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.933 13.922 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.421 12.328 1.423 1.00 0.00 H new ATOM 750 N ALA A 51 -3.982 10.167 1.399 1.00 0.00 N ATOM 751 CA ALA A 51 -4.352 8.912 0.768 1.00 0.00 C ATOM 752 C ALA A 51 -5.281 8.132 1.701 1.00 0.00 C ATOM 753 O ALA A 51 -6.065 7.300 1.251 1.00 0.00 O ATOM 754 CB ALA A 51 -3.090 8.125 0.413 1.00 0.00 C ATOM 0 H ALA A 51 -2.983 10.280 1.570 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.893 9.095 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.369 7.184 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.478 8.709 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.522 7.920 1.320 1.00 0.00 H new ATOM 760 N ASP A 52 -5.159 8.429 2.988 1.00 0.00 N ATOM 761 CA ASP A 52 -5.978 7.768 3.990 1.00 0.00 C ATOM 762 C ASP A 52 -7.451 8.085 3.728 1.00 0.00 C ATOM 763 O ASP A 52 -8.270 7.179 3.588 1.00 0.00 O ATOM 764 CB ASP A 52 -5.630 8.257 5.396 1.00 0.00 C ATOM 765 CG ASP A 52 -6.831 8.489 6.315 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.603 7.524 6.496 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.950 9.629 6.817 1.00 0.00 O ATOM 0 H ASP A 52 -4.505 9.118 3.359 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.790 6.696 3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.968 7.528 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.070 9.188 5.312 1.00 0.00 H new ATOM 772 N VAL A 53 -7.744 9.376 3.672 1.00 0.00 N ATOM 773 CA VAL A 53 -9.106 9.823 3.430 1.00 0.00 C ATOM 774 C VAL A 53 -9.427 9.685 1.941 1.00 0.00 C ATOM 775 O VAL A 53 -10.359 8.973 1.567 1.00 0.00 O ATOM 776 CB VAL A 53 -9.286 11.251 3.950 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.724 11.731 3.745 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.879 11.355 5.421 1.00 0.00 C ATOM 0 H VAL A 53 -7.063 10.126 3.790 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.816 9.200 3.974 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.629 11.902 3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.825 12.748 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.966 11.713 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.407 11.074 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.017 12.380 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.498 10.686 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.832 11.074 5.529 1.00 0.00 H new ATOM 788 N ASP A 54 -8.639 10.374 1.131 1.00 0.00 N ATOM 789 CA ASP A 54 -8.827 10.338 -0.309 1.00 0.00 C ATOM 790 C ASP A 54 -8.839 8.882 -0.780 1.00 0.00 C ATOM 791 O ASP A 54 -9.834 8.414 -1.333 1.00 0.00 O ATOM 792 CB ASP A 54 -7.689 11.059 -1.034 1.00 0.00 C ATOM 793 CG ASP A 54 -7.615 10.803 -2.540 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.613 11.126 -3.221 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.564 10.289 -2.978 1.00 0.00 O ATOM 0 H ASP A 54 -7.867 10.962 1.445 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.770 10.834 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.795 12.131 -0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.743 10.758 -0.583 1.00 0.00 H new ATOM 800 N GLY A 55 -7.724 8.208 -0.545 1.00 0.00 N ATOM 801 CA GLY A 55 -7.595 6.815 -0.937 1.00 0.00 C ATOM 802 C GLY A 55 -8.685 5.959 -0.291 1.00 0.00 C ATOM 803 O GLY A 55 -9.375 5.206 -0.975 1.00 0.00 O ATOM 0 H GLY A 55 -6.901 8.600 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.658 6.732 -2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.614 6.441 -0.645 1.00 0.00 H new ATOM 807 N ARG A 56 -8.806 6.104 1.022 1.00 0.00 N ATOM 808 CA ARG A 56 -9.801 5.353 1.768 1.00 0.00 C ATOM 809 C ARG A 56 -9.635 3.853 1.514 1.00 0.00 C ATOM 810 O ARG A 56 -10.614 3.149 1.270 1.00 0.00 O ATOM 811 CB ARG A 56 -11.218 5.776 1.377 1.00 0.00 C ATOM 812 CG ARG A 56 -12.236 5.322 2.426 1.00 0.00 C ATOM 813 CD ARG A 56 -13.658 5.703 2.010 1.00 0.00 C ATOM 814 NE ARG A 56 -14.393 4.499 1.560 1.00 0.00 N ATOM 815 CZ ARG A 56 -15.659 4.510 1.123 1.00 0.00 C ATOM 816 NH1 ARG A 56 -16.340 5.663 1.075 1.00 0.00 N ATOM 817 NH2 ARG A 56 -16.243 3.368 0.734 1.00 0.00 N ATOM 0 H ARG A 56 -8.232 6.730 1.587 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.650 5.564 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.261 6.860 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.474 5.349 0.408 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.169 4.242 2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.000 5.777 3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.179 6.166 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.626 6.441 1.208 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.904 3.604 1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.894 6.531 1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.304 5.672 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.723 2.491 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.207 3.376 0.401 1.00 0.00 H new ATOM 831 N LEU A 57 -8.390 3.408 1.581 1.00 0.00 N ATOM 832 CA LEU A 57 -8.082 2.005 1.360 1.00 0.00 C ATOM 833 C LEU A 57 -8.651 1.177 2.514 1.00 0.00 C ATOM 834 O LEU A 57 -9.010 1.722 3.557 1.00 0.00 O ATOM 835 CB LEU A 57 -6.580 1.811 1.147 1.00 0.00 C ATOM 836 CG LEU A 57 -5.995 2.449 -0.117 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.503 2.738 0.057 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.272 1.581 -1.347 1.00 0.00 C ATOM 0 H LEU A 57 -7.581 3.995 1.785 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.557 1.650 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.055 2.217 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.372 0.741 1.120 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.492 3.406 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.111 3.191 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.360 3.423 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.973 1.807 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.846 2.056 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.819 0.599 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.348 1.469 -1.478 1.00 0.00 H new ATOM 850 N ALA A 58 -8.715 -0.128 2.288 1.00 0.00 N ATOM 851 CA ALA A 58 -9.233 -1.036 3.297 1.00 0.00 C ATOM 852 C ALA A 58 -8.085 -1.508 4.192 1.00 0.00 C ATOM 853 O ALA A 58 -6.927 -1.497 3.777 1.00 0.00 O ATOM 854 CB ALA A 58 -9.955 -2.200 2.613 1.00 0.00 C ATOM 0 H ALA A 58 -8.417 -0.577 1.422 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.959 -0.529 3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.344 -2.882 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.780 -1.815 2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.256 -2.733 1.969 1.00 0.00 H new ATOM 860 N ALA A 59 -8.446 -1.912 5.401 1.00 0.00 N ATOM 861 CA ALA A 59 -7.461 -2.386 6.356 1.00 0.00 C ATOM 862 C ALA A 59 -7.361 -3.910 6.266 1.00 0.00 C ATOM 863 O ALA A 59 -8.312 -4.618 6.596 1.00 0.00 O ATOM 864 CB ALA A 59 -7.840 -1.908 7.760 1.00 0.00 C ATOM 0 H ALA A 59 -9.408 -1.921 5.741 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.477 -1.977 6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.101 -2.264 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.868 -0.819 7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.821 -2.301 8.026 1.00 0.00 H new ATOM 870 N GLY A 60 -6.203 -4.370 5.818 1.00 0.00 N ATOM 871 CA GLY A 60 -5.966 -5.797 5.680 1.00 0.00 C ATOM 872 C GLY A 60 -5.720 -6.173 4.217 1.00 0.00 C ATOM 873 O GLY A 60 -5.927 -7.320 3.826 1.00 0.00 O ATOM 0 H GLY A 60 -5.417 -3.779 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.105 -6.086 6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.824 -6.350 6.062 1.00 0.00 H new ATOM 877 N ASP A 61 -5.280 -5.186 3.452 1.00 0.00 N ATOM 878 CA ASP A 61 -5.003 -5.398 2.043 1.00 0.00 C ATOM 879 C ASP A 61 -3.699 -6.183 1.896 1.00 0.00 C ATOM 880 O ASP A 61 -2.979 -6.387 2.873 1.00 0.00 O ATOM 881 CB ASP A 61 -4.838 -4.068 1.306 1.00 0.00 C ATOM 882 CG ASP A 61 -5.858 -2.990 1.682 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.040 -3.360 1.846 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.431 -1.819 1.796 1.00 0.00 O ATOM 0 H ASP A 61 -5.108 -4.236 3.782 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.842 -5.946 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.837 -3.684 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.906 -4.253 0.234 1.00 0.00 H new ATOM 889 N GLN A 62 -3.430 -6.603 0.669 1.00 0.00 N ATOM 890 CA GLN A 62 -2.226 -7.361 0.382 1.00 0.00 C ATOM 891 C GLN A 62 -1.356 -6.613 -0.630 1.00 0.00 C ATOM 892 O GLN A 62 -1.693 -6.540 -1.811 1.00 0.00 O ATOM 893 CB GLN A 62 -2.567 -8.766 -0.120 1.00 0.00 C ATOM 894 CG GLN A 62 -1.342 -9.439 -0.743 1.00 0.00 C ATOM 895 CD GLN A 62 -1.569 -10.941 -0.914 1.00 0.00 C ATOM 896 OE1 GLN A 62 -2.581 -11.492 -0.511 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.574 -11.572 -1.531 1.00 0.00 N ATOM 0 H GLN A 62 -4.028 -6.432 -0.140 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.661 -7.470 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.937 -9.371 0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.368 -8.708 -0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.128 -8.987 -1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.469 -9.269 -0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.245 -11.050 -1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.630 -12.578 -1.692 1.00 0.00 H new ATOM 906 N LEU A 63 -0.251 -6.076 -0.131 1.00 0.00 N ATOM 907 CA LEU A 63 0.670 -5.337 -0.978 1.00 0.00 C ATOM 908 C LEU A 63 1.691 -6.303 -1.579 1.00 0.00 C ATOM 909 O LEU A 63 1.956 -7.364 -1.014 1.00 0.00 O ATOM 910 CB LEU A 63 1.302 -4.180 -0.198 1.00 0.00 C ATOM 911 CG LEU A 63 2.309 -3.325 -0.970 1.00 0.00 C ATOM 912 CD1 LEU A 63 1.649 -2.047 -1.499 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.539 -3.020 -0.114 1.00 0.00 C ATOM 0 H LEU A 63 0.027 -6.138 0.849 1.00 0.00 H new ATOM 0 HA LEU A 63 0.138 -4.878 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.504 -3.531 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.800 -4.589 0.681 1.00 0.00 H new ATOM 0 HG LEU A 63 2.651 -3.895 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.385 -1.456 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.829 -2.311 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.263 -1.464 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.239 -2.411 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.234 -2.478 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.022 -3.954 0.174 1.00 0.00 H new ATOM 925 N LEU A 64 2.238 -5.903 -2.717 1.00 0.00 N ATOM 926 CA LEU A 64 3.225 -6.721 -3.403 1.00 0.00 C ATOM 927 C LEU A 64 4.238 -5.811 -4.099 1.00 0.00 C ATOM 928 O LEU A 64 5.430 -6.119 -4.135 1.00 0.00 O ATOM 929 CB LEU A 64 2.537 -7.711 -4.346 1.00 0.00 C ATOM 930 CG LEU A 64 2.814 -9.192 -4.080 1.00 0.00 C ATOM 931 CD1 LEU A 64 2.935 -9.467 -2.581 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.755 -10.074 -4.742 1.00 0.00 C ATOM 0 H LEU A 64 2.017 -5.023 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 64 3.780 -7.330 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.461 -7.547 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.842 -7.482 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 64 3.773 -9.447 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.132 -10.527 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.755 -8.879 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.005 -9.191 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.975 -11.122 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.772 -9.825 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.762 -9.905 -5.819 1.00 0.00 H new ATOM 944 N SER A 65 3.731 -4.711 -4.633 1.00 0.00 N ATOM 945 CA SER A 65 4.578 -3.754 -5.326 1.00 0.00 C ATOM 946 C SER A 65 4.584 -2.421 -4.577 1.00 0.00 C ATOM 947 O SER A 65 3.716 -2.170 -3.742 1.00 0.00 O ATOM 948 CB SER A 65 4.114 -3.551 -6.769 1.00 0.00 C ATOM 949 OG SER A 65 3.238 -2.434 -6.896 1.00 0.00 O ATOM 0 H SER A 65 2.743 -4.460 -4.600 1.00 0.00 H new ATOM 0 HA SER A 65 5.592 -4.152 -5.352 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.982 -3.406 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.607 -4.451 -7.117 1.00 0.00 H new ATOM 0 HG SER A 65 3.218 -2.139 -7.830 1.00 0.00 H new ATOM 955 N VAL A 66 5.571 -1.600 -4.901 1.00 0.00 N ATOM 956 CA VAL A 66 5.701 -0.298 -4.272 1.00 0.00 C ATOM 957 C VAL A 66 5.916 0.767 -5.347 1.00 0.00 C ATOM 958 O VAL A 66 6.242 0.445 -6.489 1.00 0.00 O ATOM 959 CB VAL A 66 6.822 -0.331 -3.229 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.189 -0.489 -3.900 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.786 0.918 -2.346 1.00 0.00 C ATOM 0 H VAL A 66 6.290 -1.812 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 66 4.786 -0.039 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 66 6.660 -1.198 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.968 -0.510 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.211 -1.420 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.363 0.350 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.592 0.869 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.912 1.806 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.828 0.970 -1.828 1.00 0.00 H new ATOM 971 N ASP A 67 5.725 2.015 -4.946 1.00 0.00 N ATOM 972 CA ASP A 67 5.893 3.130 -5.861 1.00 0.00 C ATOM 973 C ASP A 67 7.385 3.338 -6.138 1.00 0.00 C ATOM 974 O ASP A 67 8.186 3.416 -5.207 1.00 0.00 O ATOM 975 CB ASP A 67 5.339 4.425 -5.264 1.00 0.00 C ATOM 976 CG ASP A 67 6.313 5.190 -4.365 1.00 0.00 C ATOM 977 OD1 ASP A 67 7.248 5.798 -4.929 1.00 0.00 O ATOM 978 OD2 ASP A 67 6.099 5.151 -3.133 1.00 0.00 O ATOM 0 H ASP A 67 5.455 2.279 -3.998 1.00 0.00 H new ATOM 0 HA ASP A 67 5.351 2.896 -6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.029 5.080 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.445 4.188 -4.687 1.00 0.00 H new ATOM 983 N GLY A 68 7.711 3.419 -7.419 1.00 0.00 N ATOM 984 CA GLY A 68 9.092 3.616 -7.828 1.00 0.00 C ATOM 985 C GLY A 68 9.824 2.278 -7.950 1.00 0.00 C ATOM 986 O GLY A 68 10.950 2.225 -8.441 1.00 0.00 O ATOM 0 H GLY A 68 7.044 3.352 -8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.121 4.139 -8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.603 4.249 -7.103 1.00 0.00 H new ATOM 990 N ARG A 69 9.153 1.229 -7.497 1.00 0.00 N ATOM 991 CA ARG A 69 9.725 -0.105 -7.549 1.00 0.00 C ATOM 992 C ARG A 69 8.617 -1.153 -7.674 1.00 0.00 C ATOM 993 O ARG A 69 7.761 -1.266 -6.796 1.00 0.00 O ATOM 994 CB ARG A 69 10.556 -0.399 -6.297 1.00 0.00 C ATOM 995 CG ARG A 69 11.901 0.327 -6.351 1.00 0.00 C ATOM 996 CD ARG A 69 12.824 -0.145 -5.226 1.00 0.00 C ATOM 997 NE ARG A 69 13.423 -1.452 -5.575 1.00 0.00 N ATOM 998 CZ ARG A 69 14.422 -1.608 -6.454 1.00 0.00 C ATOM 999 NH1 ARG A 69 14.940 -0.541 -7.077 1.00 0.00 N ATOM 1000 NH2 ARG A 69 14.905 -2.831 -6.710 1.00 0.00 N ATOM 0 H ARG A 69 8.218 1.276 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 69 10.376 -0.152 -8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.006 -0.088 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.721 -1.473 -6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.376 0.148 -7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.742 1.402 -6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.610 0.591 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.262 -0.230 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 69 13.053 -2.286 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.574 0.391 -6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.701 -0.661 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.512 -3.644 -6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.666 -2.949 -7.379 1.00 0.00 H new ATOM 1014 N SER A 70 8.667 -1.893 -8.771 1.00 0.00 N ATOM 1015 CA SER A 70 7.679 -2.927 -9.024 1.00 0.00 C ATOM 1016 C SER A 70 8.091 -4.226 -8.328 1.00 0.00 C ATOM 1017 O SER A 70 8.557 -5.160 -8.979 1.00 0.00 O ATOM 1018 CB SER A 70 7.496 -3.163 -10.523 1.00 0.00 C ATOM 1019 OG SER A 70 6.889 -2.046 -11.169 1.00 0.00 O ATOM 0 H SER A 70 9.378 -1.797 -9.496 1.00 0.00 H new ATOM 0 HA SER A 70 6.724 -2.592 -8.619 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.465 -3.363 -10.980 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.881 -4.050 -10.678 1.00 0.00 H new ATOM 0 HG SER A 70 6.791 -2.235 -12.126 1.00 0.00 H new ATOM 1025 N LEU A 71 7.907 -4.244 -7.016 1.00 0.00 N ATOM 1026 CA LEU A 71 8.256 -5.412 -6.227 1.00 0.00 C ATOM 1027 C LEU A 71 7.549 -6.640 -6.804 1.00 0.00 C ATOM 1028 O LEU A 71 8.200 -7.597 -7.221 1.00 0.00 O ATOM 1029 CB LEU A 71 7.957 -5.167 -4.747 1.00 0.00 C ATOM 1030 CG LEU A 71 8.493 -3.859 -4.162 1.00 0.00 C ATOM 1031 CD1 LEU A 71 7.579 -3.344 -3.049 1.00 0.00 C ATOM 1032 CD2 LEU A 71 9.938 -4.021 -3.688 1.00 0.00 C ATOM 0 H LEU A 71 7.520 -3.467 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 71 9.327 -5.605 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.876 -5.189 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.370 -5.995 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 71 8.497 -3.107 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.981 -2.413 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.582 -3.165 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.522 -4.086 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.294 -3.076 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.984 -4.792 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.567 -4.310 -4.530 1.00 0.00 H new ATOM 1044 N VAL A 72 6.226 -6.575 -6.806 1.00 0.00 N ATOM 1045 CA VAL A 72 5.423 -7.670 -7.322 1.00 0.00 C ATOM 1046 C VAL A 72 5.344 -8.779 -6.272 1.00 0.00 C ATOM 1047 O VAL A 72 4.625 -9.760 -6.452 1.00 0.00 O ATOM 1048 CB VAL A 72 5.993 -8.152 -8.658 1.00 0.00 C ATOM 1049 CG1 VAL A 72 6.728 -7.020 -9.380 1.00 0.00 C ATOM 1050 CG2 VAL A 72 6.908 -9.361 -8.461 1.00 0.00 C ATOM 0 H VAL A 72 5.690 -5.780 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 72 4.404 -7.336 -7.519 1.00 0.00 H new ATOM 0 HB VAL A 72 5.158 -8.464 -9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.124 -7.389 -10.326 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.036 -6.200 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.549 -6.664 -8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.299 -9.683 -9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.736 -9.088 -7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.342 -10.176 -8.009 1.00 0.00 H new ATOM 1060 N GLY A 73 6.093 -8.586 -5.197 1.00 0.00 N ATOM 1061 CA GLY A 73 6.117 -9.559 -4.116 1.00 0.00 C ATOM 1062 C GLY A 73 7.465 -9.544 -3.396 1.00 0.00 C ATOM 1063 O GLY A 73 8.097 -10.587 -3.229 1.00 0.00 O ATOM 0 H GLY A 73 6.688 -7.771 -5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.319 -9.339 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.924 -10.555 -4.514 1.00 0.00 H new ATOM 1067 N LEU A 74 7.868 -8.350 -2.984 1.00 0.00 N ATOM 1068 CA LEU A 74 9.131 -8.186 -2.285 1.00 0.00 C ATOM 1069 C LEU A 74 8.859 -7.690 -0.861 1.00 0.00 C ATOM 1070 O LEU A 74 7.723 -7.363 -0.521 1.00 0.00 O ATOM 1071 CB LEU A 74 10.071 -7.280 -3.082 1.00 0.00 C ATOM 1072 CG LEU A 74 10.272 -7.651 -4.552 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.481 -6.919 -5.141 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.380 -9.168 -4.724 1.00 0.00 C ATOM 0 H LEU A 74 7.342 -7.487 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 74 9.646 -9.143 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.688 -6.261 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.044 -7.278 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 74 9.395 -7.325 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.602 -7.200 -6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.325 -5.843 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.378 -7.193 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.522 -9.405 -5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.229 -9.540 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.465 -9.641 -4.366 1.00 0.00 H new ATOM 1086 N SER A 75 9.921 -7.649 -0.071 1.00 0.00 N ATOM 1087 CA SER A 75 9.812 -7.199 1.305 1.00 0.00 C ATOM 1088 C SER A 75 9.655 -5.677 1.348 1.00 0.00 C ATOM 1089 O SER A 75 10.120 -4.978 0.450 1.00 0.00 O ATOM 1090 CB SER A 75 11.029 -7.632 2.125 1.00 0.00 C ATOM 1091 OG SER A 75 10.730 -8.721 2.992 1.00 0.00 O ATOM 0 H SER A 75 10.861 -7.920 -0.358 1.00 0.00 H new ATOM 0 HA SER A 75 8.929 -7.661 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.837 -7.917 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.388 -6.788 2.714 1.00 0.00 H new ATOM 0 HG SER A 75 11.533 -8.968 3.496 1.00 0.00 H new ATOM 1097 N GLN A 76 9.001 -5.212 2.401 1.00 0.00 N ATOM 1098 CA GLN A 76 8.777 -3.785 2.574 1.00 0.00 C ATOM 1099 C GLN A 76 10.112 -3.059 2.763 1.00 0.00 C ATOM 1100 O GLN A 76 10.164 -1.831 2.727 1.00 0.00 O ATOM 1101 CB GLN A 76 7.835 -3.516 3.748 1.00 0.00 C ATOM 1102 CG GLN A 76 6.387 -3.836 3.371 1.00 0.00 C ATOM 1103 CD GLN A 76 5.629 -2.565 2.980 1.00 0.00 C ATOM 1104 OE1 GLN A 76 5.132 -2.422 1.875 1.00 0.00 O ATOM 1105 NE2 GLN A 76 5.567 -1.653 3.946 1.00 0.00 N ATOM 0 H GLN A 76 8.618 -5.797 3.144 1.00 0.00 H new ATOM 0 HA GLN A 76 8.299 -3.399 1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.134 -4.120 4.605 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.914 -2.472 4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.371 -4.543 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.887 -4.318 4.211 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.005 -1.836 4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.082 -0.771 3.784 1.00 0.00 H new ATOM 1114 N GLU A 77 11.156 -3.850 2.963 1.00 0.00 N ATOM 1115 CA GLU A 77 12.486 -3.298 3.158 1.00 0.00 C ATOM 1116 C GLU A 77 12.748 -2.176 2.149 1.00 0.00 C ATOM 1117 O GLU A 77 12.653 -0.999 2.487 1.00 0.00 O ATOM 1118 CB GLU A 77 13.554 -4.388 3.056 1.00 0.00 C ATOM 1119 CG GLU A 77 13.354 -5.452 4.137 1.00 0.00 C ATOM 1120 CD GLU A 77 13.960 -5.002 5.468 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.049 -4.393 5.418 1.00 0.00 O ATOM 1122 OE2 GLU A 77 13.319 -5.279 6.505 1.00 0.00 O ATOM 0 H GLU A 77 11.108 -4.868 2.994 1.00 0.00 H new ATOM 0 HA GLU A 77 12.540 -2.878 4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.512 -4.853 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.544 -3.943 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.290 -5.649 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.815 -6.388 3.821 1.00 0.00 H new ATOM 1129 N ARG A 78 13.075 -2.585 0.932 1.00 0.00 N ATOM 1130 CA ARG A 78 13.352 -1.631 -0.128 1.00 0.00 C ATOM 1131 C ARG A 78 12.259 -0.561 -0.179 1.00 0.00 C ATOM 1132 O ARG A 78 12.546 0.631 -0.084 1.00 0.00 O ATOM 1133 CB ARG A 78 13.438 -2.327 -1.488 1.00 0.00 C ATOM 1134 CG ARG A 78 12.550 -3.572 -1.522 1.00 0.00 C ATOM 1135 CD ARG A 78 13.387 -4.847 -1.394 1.00 0.00 C ATOM 1136 NE ARG A 78 13.814 -5.309 -2.734 1.00 0.00 N ATOM 1137 CZ ARG A 78 14.664 -6.324 -2.943 1.00 0.00 C ATOM 1138 NH1 ARG A 78 15.184 -6.988 -1.901 1.00 0.00 N ATOM 1139 NH2 ARG A 78 14.995 -6.676 -4.192 1.00 0.00 N ATOM 0 H ARG A 78 13.154 -3.564 0.657 1.00 0.00 H new ATOM 0 HA ARG A 78 14.313 -1.164 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.133 -1.636 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.471 -2.607 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.823 -3.527 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.986 -3.595 -2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.261 -4.657 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.806 -5.626 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 78 13.438 -4.825 -3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.933 -6.721 -0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.831 -7.760 -2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.600 -6.171 -4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.642 -7.449 -4.350 1.00 0.00 H new ATOM 1153 N ALA A 79 11.027 -1.026 -0.329 1.00 0.00 N ATOM 1154 CA ALA A 79 9.889 -0.123 -0.393 1.00 0.00 C ATOM 1155 C ALA A 79 9.956 0.857 0.780 1.00 0.00 C ATOM 1156 O ALA A 79 10.558 1.924 0.666 1.00 0.00 O ATOM 1157 CB ALA A 79 8.594 -0.937 -0.401 1.00 0.00 C ATOM 0 H ALA A 79 10.792 -2.015 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 79 9.912 0.462 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.740 -0.261 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.584 -1.597 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.534 -1.534 0.509 1.00 0.00 H new ATOM 1163 N ALA A 80 9.327 0.463 1.877 1.00 0.00 N ATOM 1164 CA ALA A 80 9.307 1.294 3.067 1.00 0.00 C ATOM 1165 C ALA A 80 9.986 2.632 2.762 1.00 0.00 C ATOM 1166 O ALA A 80 9.315 3.618 2.462 1.00 0.00 O ATOM 1167 CB ALA A 80 9.979 0.549 4.221 1.00 0.00 C ATOM 0 H ALA A 80 8.827 -0.422 1.966 1.00 0.00 H new ATOM 0 HA ALA A 80 8.282 1.506 3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.964 1.173 5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.442 -0.379 4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.011 0.321 3.955 1.00 0.00 H new ATOM 1173 N GLU A 81 11.308 2.621 2.848 1.00 0.00 N ATOM 1174 CA GLU A 81 12.083 3.821 2.584 1.00 0.00 C ATOM 1175 C GLU A 81 11.679 4.431 1.241 1.00 0.00 C ATOM 1176 O GLU A 81 11.070 5.500 1.199 1.00 0.00 O ATOM 1177 CB GLU A 81 13.584 3.523 2.620 1.00 0.00 C ATOM 1178 CG GLU A 81 14.401 4.774 2.290 1.00 0.00 C ATOM 1179 CD GLU A 81 15.713 4.794 3.075 1.00 0.00 C ATOM 1180 OE1 GLU A 81 15.629 4.757 4.322 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.771 4.849 2.412 1.00 0.00 O ATOM 0 H GLU A 81 11.861 1.801 3.096 1.00 0.00 H new ATOM 0 HA GLU A 81 11.870 4.546 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.861 3.154 3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.818 2.733 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.612 4.803 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.819 5.665 2.525 1.00 0.00 H new ATOM 1188 N LEU A 82 12.031 3.726 0.177 1.00 0.00 N ATOM 1189 CA LEU A 82 11.712 4.185 -1.165 1.00 0.00 C ATOM 1190 C LEU A 82 10.209 4.452 -1.263 1.00 0.00 C ATOM 1191 O LEU A 82 9.751 5.107 -2.198 1.00 0.00 O ATOM 1192 CB LEU A 82 12.230 3.193 -2.209 1.00 0.00 C ATOM 1193 CG LEU A 82 12.576 3.780 -3.578 1.00 0.00 C ATOM 1194 CD1 LEU A 82 11.472 4.721 -4.066 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.942 4.466 -3.552 1.00 0.00 C ATOM 0 H LEU A 82 12.534 2.840 0.216 1.00 0.00 H new ATOM 0 HA LEU A 82 12.219 5.127 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.120 2.707 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.478 2.417 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 82 12.641 2.960 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.743 5.125 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.535 4.170 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.351 5.539 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.163 4.874 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.930 5.273 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.708 3.740 -3.280 1.00 0.00 H new ATOM 1207 N MET A 83 9.482 3.932 -0.285 1.00 0.00 N ATOM 1208 CA MET A 83 8.041 4.105 -0.250 1.00 0.00 C ATOM 1209 C MET A 83 7.649 5.263 0.672 1.00 0.00 C ATOM 1210 O MET A 83 6.523 5.751 0.618 1.00 0.00 O ATOM 1211 CB MET A 83 7.382 2.815 0.244 1.00 0.00 C ATOM 1212 CG MET A 83 5.916 2.748 -0.186 1.00 0.00 C ATOM 1213 SD MET A 83 5.243 1.137 0.182 1.00 0.00 S ATOM 1214 CE MET A 83 5.348 1.159 1.965 1.00 0.00 C ATOM 0 H MET A 83 9.865 3.390 0.490 1.00 0.00 H new ATOM 0 HA MET A 83 7.698 4.335 -1.259 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.920 1.953 -0.151 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.449 2.762 1.331 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.342 3.517 0.330 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.832 2.951 -1.254 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.925 0.300 2.306 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.838 2.077 2.289 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.345 1.114 2.389 1.00 0.00 H new ATOM 1224 N THR A 84 8.604 5.669 1.496 1.00 0.00 N ATOM 1225 CA THR A 84 8.374 6.759 2.428 1.00 0.00 C ATOM 1226 C THR A 84 8.420 8.103 1.698 1.00 0.00 C ATOM 1227 O THR A 84 7.416 8.809 1.628 1.00 0.00 O ATOM 1228 CB THR A 84 9.406 6.644 3.553 1.00 0.00 C ATOM 1229 OG1 THR A 84 9.203 5.335 4.078 1.00 0.00 O ATOM 1230 CG2 THR A 84 9.092 7.570 4.730 1.00 0.00 C ATOM 0 H THR A 84 9.539 5.262 1.537 1.00 0.00 H new ATOM 0 HA THR A 84 7.380 6.698 2.871 1.00 0.00 H new ATOM 0 HB THR A 84 10.397 6.875 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.102 4.698 3.340 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.854 7.450 5.501 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.083 8.604 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.116 7.316 5.142 1.00 0.00 H new ATOM 1238 N ARG A 85 9.595 8.415 1.173 1.00 0.00 N ATOM 1239 CA ARG A 85 9.784 9.662 0.451 1.00 0.00 C ATOM 1240 C ARG A 85 8.970 9.654 -0.845 1.00 0.00 C ATOM 1241 O ARG A 85 9.533 9.647 -1.938 1.00 0.00 O ATOM 1242 CB ARG A 85 11.260 9.886 0.114 1.00 0.00 C ATOM 1243 CG ARG A 85 11.548 11.368 -0.129 1.00 0.00 C ATOM 1244 CD ARG A 85 13.052 11.621 -0.262 1.00 0.00 C ATOM 1245 NE ARG A 85 13.326 12.423 -1.474 1.00 0.00 N ATOM 1246 CZ ARG A 85 13.228 13.758 -1.530 1.00 0.00 C ATOM 1247 NH1 ARG A 85 12.864 14.449 -0.441 1.00 0.00 N ATOM 1248 NH2 ARG A 85 13.498 14.402 -2.673 1.00 0.00 N ATOM 0 H ARG A 85 10.426 7.826 1.233 1.00 0.00 H new ATOM 0 HA ARG A 85 9.442 10.472 1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.883 9.520 0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.526 9.310 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.039 11.697 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.148 11.960 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.420 12.144 0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.585 10.672 -0.316 1.00 0.00 H new ATOM 0 HE ARG A 85 13.607 11.929 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.662 13.959 0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.789 15.465 -0.483 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.778 13.876 -3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.423 15.418 -2.716 1.00 0.00 H new ATOM 1262 N THR A 86 7.655 9.654 -0.680 1.00 0.00 N ATOM 1263 CA THR A 86 6.756 9.647 -1.823 1.00 0.00 C ATOM 1264 C THR A 86 6.565 11.067 -2.359 1.00 0.00 C ATOM 1265 O THR A 86 6.555 11.280 -3.569 1.00 0.00 O ATOM 1266 CB THR A 86 5.450 8.978 -1.392 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.804 7.611 -1.205 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.412 8.945 -2.515 1.00 0.00 C ATOM 0 H THR A 86 7.190 9.659 0.228 1.00 0.00 H new ATOM 0 HA THR A 86 7.173 9.074 -2.652 1.00 0.00 H new ATOM 0 HB THR A 86 5.038 9.506 -0.532 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.845 7.162 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.504 8.460 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.181 9.964 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.811 8.388 -3.363 1.00 0.00 H new ATOM 1276 N SER A 87 6.417 12.001 -1.432 1.00 0.00 N ATOM 1277 CA SER A 87 6.227 13.394 -1.796 1.00 0.00 C ATOM 1278 C SER A 87 4.734 13.692 -1.963 1.00 0.00 C ATOM 1279 O SER A 87 4.167 14.478 -1.205 1.00 0.00 O ATOM 1280 CB SER A 87 6.981 13.735 -3.082 1.00 0.00 C ATOM 1281 OG SER A 87 8.188 12.987 -3.207 1.00 0.00 O ATOM 0 H SER A 87 6.425 11.820 -0.428 1.00 0.00 H new ATOM 0 HA SER A 87 6.629 14.014 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.341 13.536 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.211 14.800 -3.096 1.00 0.00 H new ATOM 0 HG SER A 87 8.038 12.221 -3.800 1.00 0.00 H new ATOM 1287 N SER A 88 4.142 13.048 -2.957 1.00 0.00 N ATOM 1288 CA SER A 88 2.728 13.235 -3.233 1.00 0.00 C ATOM 1289 C SER A 88 2.283 12.284 -4.347 1.00 0.00 C ATOM 1290 O SER A 88 1.664 12.711 -5.320 1.00 0.00 O ATOM 1291 CB SER A 88 2.428 14.684 -3.619 1.00 0.00 C ATOM 1292 OG SER A 88 2.424 15.549 -2.487 1.00 0.00 O ATOM 0 H SER A 88 4.616 12.396 -3.582 1.00 0.00 H new ATOM 0 HA SER A 88 2.169 13.008 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.172 15.029 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.459 14.733 -4.116 1.00 0.00 H new ATOM 0 HG SER A 88 2.782 15.072 -1.709 1.00 0.00 H new ATOM 1298 N VAL A 89 2.613 11.014 -4.165 1.00 0.00 N ATOM 1299 CA VAL A 89 2.255 10.001 -5.142 1.00 0.00 C ATOM 1300 C VAL A 89 2.792 8.644 -4.685 1.00 0.00 C ATOM 1301 O VAL A 89 3.933 8.292 -4.981 1.00 0.00 O ATOM 1302 CB VAL A 89 2.761 10.407 -6.527 1.00 0.00 C ATOM 1303 CG1 VAL A 89 4.290 10.452 -6.562 1.00 0.00 C ATOM 1304 CG2 VAL A 89 2.215 9.471 -7.608 1.00 0.00 C ATOM 0 H VAL A 89 3.125 10.664 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 89 1.171 9.913 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 89 2.392 11.411 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.623 10.743 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.649 11.178 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.689 9.467 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.591 9.783 -8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.539 8.451 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.126 9.512 -7.609 1.00 0.00 H new ATOM 1314 N VAL A 90 1.946 7.919 -3.968 1.00 0.00 N ATOM 1315 CA VAL A 90 2.321 6.609 -3.466 1.00 0.00 C ATOM 1316 C VAL A 90 1.611 5.529 -4.288 1.00 0.00 C ATOM 1317 O VAL A 90 0.480 5.155 -3.981 1.00 0.00 O ATOM 1318 CB VAL A 90 2.020 6.515 -1.970 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.300 6.650 -1.143 1.00 0.00 C ATOM 1320 CG2 VAL A 90 0.984 7.562 -1.553 1.00 0.00 C ATOM 0 H VAL A 90 1.001 8.215 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 90 3.394 6.451 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 90 1.598 5.529 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.057 6.580 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.992 5.852 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.764 7.615 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.788 7.474 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.367 8.559 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.059 7.399 -2.107 1.00 0.00 H new ATOM 1330 N THR A 91 2.306 5.060 -5.313 1.00 0.00 N ATOM 1331 CA THR A 91 1.756 4.031 -6.180 1.00 0.00 C ATOM 1332 C THR A 91 2.267 2.651 -5.762 1.00 0.00 C ATOM 1333 O THR A 91 3.439 2.334 -5.958 1.00 0.00 O ATOM 1334 CB THR A 91 2.103 4.395 -7.626 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.357 5.064 -7.523 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.163 5.456 -8.205 1.00 0.00 C ATOM 0 H THR A 91 3.244 5.373 -5.563 1.00 0.00 H new ATOM 0 HA THR A 91 0.671 3.981 -6.094 1.00 0.00 H new ATOM 0 HB THR A 91 2.065 3.499 -8.245 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.658 5.334 -8.416 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.453 5.678 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.139 5.082 -8.190 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.227 6.364 -7.606 1.00 0.00 H new ATOM 1344 N LEU A 92 1.363 1.868 -5.194 1.00 0.00 N ATOM 1345 CA LEU A 92 1.706 0.529 -4.745 1.00 0.00 C ATOM 1346 C LEU A 92 0.668 -0.463 -5.271 1.00 0.00 C ATOM 1347 O LEU A 92 -0.426 -0.067 -5.675 1.00 0.00 O ATOM 1348 CB LEU A 92 1.872 0.499 -3.225 1.00 0.00 C ATOM 1349 CG LEU A 92 1.836 1.856 -2.519 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.705 1.683 -1.005 1.00 0.00 C ATOM 1351 CD2 LEU A 92 3.051 2.704 -2.897 1.00 0.00 C ATOM 0 H LEU A 92 0.392 2.135 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 92 2.670 0.226 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.085 -0.127 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.821 0.016 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 92 0.951 2.394 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.682 2.663 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.783 1.147 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.556 1.116 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.000 3.663 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.963 2.183 -2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.057 2.871 -3.974 1.00 0.00 H new ATOM 1363 N GLU A 93 1.045 -1.732 -5.250 1.00 0.00 N ATOM 1364 CA GLU A 93 0.159 -2.784 -5.719 1.00 0.00 C ATOM 1365 C GLU A 93 -0.414 -3.565 -4.533 1.00 0.00 C ATOM 1366 O GLU A 93 0.319 -4.267 -3.836 1.00 0.00 O ATOM 1367 CB GLU A 93 0.882 -3.719 -6.691 1.00 0.00 C ATOM 1368 CG GLU A 93 -0.055 -4.817 -7.197 1.00 0.00 C ATOM 1369 CD GLU A 93 0.723 -5.895 -7.956 1.00 0.00 C ATOM 1370 OE1 GLU A 93 1.119 -5.607 -9.104 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.905 -6.983 -7.367 1.00 0.00 O ATOM 0 H GLU A 93 1.952 -2.056 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.667 -2.321 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.265 -3.146 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.742 -4.170 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.581 -5.268 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.812 -4.382 -7.850 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.715 -3.415 -4.340 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.394 -4.097 -3.252 1.00 0.00 C ATOM 1380 C VAL A 94 -3.398 -5.097 -3.829 1.00 0.00 C ATOM 1381 O VAL A 94 -3.678 -5.080 -5.026 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.041 -3.073 -2.315 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -1.999 -2.093 -1.774 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -4.180 -2.331 -3.018 1.00 0.00 C ATOM 0 H VAL A 94 -2.318 -2.831 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.681 -4.662 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.465 -3.612 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.483 -1.376 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.237 -2.641 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.533 -1.562 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.623 -1.610 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.789 -1.808 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.940 -3.046 -3.333 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.913 -5.944 -2.950 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.879 -6.949 -3.356 1.00 0.00 C ATOM 1396 C ALA A 95 -5.934 -7.112 -2.258 1.00 0.00 C ATOM 1397 O ALA A 95 -5.594 -7.223 -1.081 1.00 0.00 O ATOM 1398 CB ALA A 95 -4.154 -8.260 -3.666 1.00 0.00 C ATOM 0 H ALA A 95 -3.679 -5.954 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.394 -6.639 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.880 -9.014 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.439 -8.098 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.626 -8.603 -2.776 1.00 0.00 H new