USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 740 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 97 GLN :FLIP amide:sc= -0.841! F(o=-2.1,f=-0.84!) USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 78 MET CE :methyl 159:sc= -0.801 (180deg=-0.733) USER MOD Set 2.2: A 93 TYR OH : rot 160:sc=0.000843 USER MOD Set 3.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 46 SER OG : rot -140:sc= -0.277 USER MOD Set 4.2: A 54 SER OG : rot 6:sc= 0.134 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.0041) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 33 MET CE :methyl -159:sc=-0.00905 (180deg=-0.795) USER MOD Single : A 34 THR OG1 : rot -67:sc= 1.62 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 39 CYS SG : rot 180:sc=-0.00408 USER MOD Single : A 40 SER OG : rot 41:sc= 1.29 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -68:sc= -0.333 USER MOD Single : A 60 ASN : amide:sc= -0.783 K(o=-0.78,f=-3.2!) USER MOD Single : A 62 ASN : amide:sc=-0.000807 X(o=-0.00081,f=-0.47) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00945) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -18:sc= -0.544 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 74 ASN : amide:sc= -1.78! C(o=-1.8!,f=-1.6!) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 77 MET CE :methyl 177:sc= 0 (180deg=-0.0186) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.3) USER MOD Single : A 85 SER OG : rot 45:sc= 1.27 USER MOD Single : A 92 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.52) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 149:sc= -0.483 (180deg=-1.57!) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.151 -3.345 -12.800 1.00 0.00 N ATOM 186 CA LYS A 16 -0.887 -2.107 -13.029 1.00 0.00 C ATOM 187 C LYS A 16 -0.020 -0.892 -12.716 1.00 0.00 C ATOM 188 O LYS A 16 1.005 -1.006 -12.042 1.00 0.00 O ATOM 189 CB LYS A 16 -2.154 -2.077 -12.172 1.00 0.00 C ATOM 190 CG LYS A 16 -2.917 -3.390 -12.167 1.00 0.00 C ATOM 191 CD LYS A 16 -3.820 -3.515 -13.383 1.00 0.00 C ATOM 192 CE LYS A 16 -5.155 -2.823 -13.159 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.039 -2.922 -14.354 1.00 0.00 N ATOM 0 HA LYS A 16 -1.167 -2.070 -14.082 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.884 -1.820 -11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.810 -1.287 -12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.212 -4.221 -12.149 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.516 -3.460 -11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.325 -3.080 -14.251 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.988 -4.569 -13.606 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.655 -3.269 -12.299 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.984 -1.773 -12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.939 -2.438 -14.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.573 -2.474 -15.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.223 -3.923 -14.568 1.00 0.00 H new ATOM 207 N ILE A 17 -0.437 0.270 -13.208 1.00 0.00 N ATOM 208 CA ILE A 17 0.302 1.505 -12.978 1.00 0.00 C ATOM 209 C ILE A 17 0.318 1.868 -11.497 1.00 0.00 C ATOM 210 O ILE A 17 1.262 2.491 -11.010 1.00 0.00 O ATOM 211 CB ILE A 17 -0.300 2.677 -13.775 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.500 3.957 -13.525 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.761 2.878 -13.400 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.115 5.099 -14.439 1.00 0.00 C ATOM 0 H ILE A 17 -1.282 0.382 -13.768 1.00 0.00 H new ATOM 0 HA ILE A 17 1.323 1.330 -13.318 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.247 2.439 -14.837 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.359 4.268 -12.490 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.561 3.743 -13.652 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.172 3.710 -13.972 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.322 1.971 -13.624 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.836 3.097 -12.335 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.723 5.973 -14.205 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.283 4.808 -15.476 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.938 5.340 -14.296 1.00 0.00 H new ATOM 226 N TRP A 18 -0.731 1.472 -10.785 1.00 0.00 N ATOM 227 CA TRP A 18 -0.836 1.754 -9.358 1.00 0.00 C ATOM 228 C TRP A 18 -0.165 0.659 -8.536 1.00 0.00 C ATOM 229 O TRP A 18 0.234 0.884 -7.393 1.00 0.00 O ATOM 230 CB TRP A 18 -2.305 1.887 -8.950 1.00 0.00 C ATOM 231 CG TRP A 18 -3.149 0.726 -9.382 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.002 0.684 -10.447 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.221 -0.560 -8.756 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.601 -0.550 -10.521 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.138 -1.332 -9.496 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.599 -1.135 -7.645 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.446 -2.647 -9.158 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -2.906 -2.440 -7.311 1.00 0.00 C ATOM 239 CH2 TRP A 18 -3.823 -3.184 -8.065 1.00 0.00 C ATOM 0 H TRP A 18 -1.520 0.955 -11.172 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.324 2.696 -9.161 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.366 1.988 -7.866 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.712 2.803 -9.379 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.180 1.501 -11.131 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.281 -0.837 -11.225 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.891 -0.569 -7.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.152 -3.223 -9.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.431 -2.894 -6.454 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.042 -4.202 -7.778 1.00 0.00 H new ATOM 250 N PHE A 19 -0.044 -0.526 -9.124 1.00 0.00 N ATOM 251 CA PHE A 19 0.579 -1.656 -8.445 1.00 0.00 C ATOM 252 C PHE A 19 2.099 -1.586 -8.554 1.00 0.00 C ATOM 253 O PHE A 19 2.645 -1.330 -9.628 1.00 0.00 O ATOM 254 CB PHE A 19 0.074 -2.975 -9.035 1.00 0.00 C ATOM 255 CG PHE A 19 0.739 -4.187 -8.450 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.889 -4.318 -7.078 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.215 -5.197 -9.271 1.00 0.00 C ATOM 258 CE1 PHE A 19 1.501 -5.432 -6.537 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.828 -6.314 -8.735 1.00 0.00 C ATOM 260 CZ PHE A 19 1.970 -6.432 -7.367 1.00 0.00 C ATOM 0 H PHE A 19 -0.369 -0.729 -10.069 1.00 0.00 H new ATOM 0 HA PHE A 19 0.306 -1.609 -7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.002 -3.047 -8.874 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.235 -2.967 -10.113 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.523 -3.540 -6.424 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.106 -5.110 -10.342 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.613 -5.521 -5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.195 -7.094 -9.386 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.447 -7.305 -6.946 1.00 0.00 H new ATOM 270 N HIS A 20 2.778 -1.815 -7.434 1.00 0.00 N ATOM 271 CA HIS A 20 4.236 -1.778 -7.403 1.00 0.00 C ATOM 272 C HIS A 20 4.788 -2.883 -6.508 1.00 0.00 C ATOM 273 O HIS A 20 4.721 -2.795 -5.282 1.00 0.00 O ATOM 274 CB HIS A 20 4.722 -0.415 -6.909 1.00 0.00 C ATOM 275 CG HIS A 20 4.723 0.641 -7.971 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.866 1.052 -8.624 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.710 1.371 -8.495 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.557 1.989 -9.501 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.255 2.201 -9.443 1.00 0.00 N ATOM 0 H HIS A 20 2.342 -2.028 -6.537 1.00 0.00 H new ATOM 0 HA HIS A 20 4.601 -1.940 -8.417 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.088 -0.089 -6.085 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.732 -0.520 -6.512 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.668 1.311 -8.219 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.251 2.496 -10.155 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.738 2.873 -10.011 1.00 0.00 H new ATOM 287 N GLY A 21 5.335 -3.924 -7.129 1.00 0.00 N ATOM 288 CA GLY A 21 5.890 -5.031 -6.373 1.00 0.00 C ATOM 289 C GLY A 21 7.367 -5.235 -6.644 1.00 0.00 C ATOM 290 O GLY A 21 8.061 -5.903 -5.876 1.00 0.00 O ATOM 0 H GLY A 21 5.403 -4.020 -8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.741 -4.851 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.349 -5.944 -6.621 1.00 0.00 H new ATOM 294 N LYS A 22 7.851 -4.660 -7.739 1.00 0.00 N ATOM 295 CA LYS A 22 9.256 -4.782 -8.111 1.00 0.00 C ATOM 296 C LYS A 22 10.131 -3.902 -7.225 1.00 0.00 C ATOM 297 O LYS A 22 11.167 -4.343 -6.725 1.00 0.00 O ATOM 298 CB LYS A 22 9.451 -4.399 -9.580 1.00 0.00 C ATOM 299 CG LYS A 22 8.807 -5.372 -10.553 1.00 0.00 C ATOM 300 CD LYS A 22 9.229 -5.090 -11.985 1.00 0.00 C ATOM 301 CE LYS A 22 10.542 -5.779 -12.325 1.00 0.00 C ATOM 302 NZ LYS A 22 10.325 -7.150 -12.865 1.00 0.00 N ATOM 0 H LYS A 22 7.291 -4.104 -8.385 1.00 0.00 H new ATOM 0 HA LYS A 22 9.555 -5.821 -7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.036 -3.405 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.518 -4.339 -9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.083 -6.392 -10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.722 -5.304 -10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.451 -5.430 -12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.333 -4.015 -12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.086 -5.182 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.165 -5.835 -11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.243 -7.586 -13.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.828 -7.727 -12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.752 -7.095 -13.731 1.00 0.00 H new ATOM 316 N ILE A 23 9.708 -2.657 -7.033 1.00 0.00 N ATOM 317 CA ILE A 23 10.453 -1.717 -6.205 1.00 0.00 C ATOM 318 C ILE A 23 10.614 -2.244 -4.783 1.00 0.00 C ATOM 319 O ILE A 23 10.182 -3.353 -4.469 1.00 0.00 O ATOM 320 CB ILE A 23 9.762 -0.341 -6.154 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.372 -0.466 -5.527 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.667 0.255 -7.551 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.776 0.859 -5.109 1.00 0.00 C ATOM 0 H ILE A 23 8.854 -2.276 -7.440 1.00 0.00 H new ATOM 0 HA ILE A 23 11.436 -1.605 -6.662 1.00 0.00 H new ATOM 0 HB ILE A 23 10.360 0.327 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.703 -0.947 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.433 -1.119 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.177 1.227 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.668 0.375 -7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.088 -0.410 -8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.791 0.693 -4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.424 1.333 -4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.683 1.507 -5.980 1.00 0.00 H new ATOM 335 N SER A 24 11.238 -1.442 -3.927 1.00 0.00 N ATOM 336 CA SER A 24 11.458 -1.828 -2.538 1.00 0.00 C ATOM 337 C SER A 24 10.782 -0.846 -1.587 1.00 0.00 C ATOM 338 O SER A 24 10.216 0.161 -2.014 1.00 0.00 O ATOM 339 CB SER A 24 12.957 -1.898 -2.238 1.00 0.00 C ATOM 340 OG SER A 24 13.542 -3.047 -2.824 1.00 0.00 O ATOM 0 H SER A 24 11.600 -0.520 -4.171 1.00 0.00 H new ATOM 0 HA SER A 24 11.018 -2.814 -2.386 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.449 -1.002 -2.617 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.115 -1.916 -1.160 1.00 0.00 H new ATOM 0 HG SER A 24 14.500 -3.067 -2.619 1.00 0.00 H new ATOM 346 N LYS A 25 10.845 -1.145 -0.294 1.00 0.00 N ATOM 347 CA LYS A 25 10.241 -0.290 0.721 1.00 0.00 C ATOM 348 C LYS A 25 10.893 1.089 0.728 1.00 0.00 C ATOM 349 O LYS A 25 10.214 2.106 0.591 1.00 0.00 O ATOM 350 CB LYS A 25 10.370 -0.934 2.103 1.00 0.00 C ATOM 351 CG LYS A 25 9.883 -0.046 3.235 1.00 0.00 C ATOM 352 CD LYS A 25 10.024 -0.734 4.583 1.00 0.00 C ATOM 353 CE LYS A 25 8.799 -1.573 4.912 1.00 0.00 C ATOM 354 NZ LYS A 25 7.667 -0.736 5.395 1.00 0.00 N ATOM 0 H LYS A 25 11.309 -1.974 0.076 1.00 0.00 H new ATOM 0 HA LYS A 25 9.185 -0.172 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.805 -1.866 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.414 -1.192 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.451 0.884 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.839 0.219 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.910 -1.369 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.173 0.015 5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.489 -2.126 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.057 -2.309 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.851 -1.345 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.954 -0.227 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.404 -0.050 4.659 1.00 0.00 H new ATOM 368 N GLN A 26 12.212 1.114 0.887 1.00 0.00 N ATOM 369 CA GLN A 26 12.954 2.369 0.911 1.00 0.00 C ATOM 370 C GLN A 26 12.645 3.208 -0.325 1.00 0.00 C ATOM 371 O GLN A 26 12.646 4.437 -0.267 1.00 0.00 O ATOM 372 CB GLN A 26 14.457 2.096 0.993 1.00 0.00 C ATOM 373 CG GLN A 26 14.896 1.510 2.325 1.00 0.00 C ATOM 374 CD GLN A 26 16.198 0.740 2.223 1.00 0.00 C ATOM 375 OE1 GLN A 26 17.169 1.215 1.634 1.00 0.00 O ATOM 376 NE2 GLN A 26 16.225 -0.457 2.798 1.00 0.00 N ATOM 0 H GLN A 26 12.789 0.280 1.001 1.00 0.00 H new ATOM 0 HA GLN A 26 12.644 2.928 1.794 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.738 1.410 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.997 3.027 0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.010 2.314 3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.116 0.849 2.702 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.397 -0.812 3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.074 -1.021 2.762 1.00 0.00 H new ATOM 385 N GLU A 27 12.382 2.535 -1.440 1.00 0.00 N ATOM 386 CA GLU A 27 12.072 3.220 -2.690 1.00 0.00 C ATOM 387 C GLU A 27 10.655 3.787 -2.663 1.00 0.00 C ATOM 388 O GLU A 27 10.455 4.991 -2.817 1.00 0.00 O ATOM 389 CB GLU A 27 12.228 2.263 -3.874 1.00 0.00 C ATOM 390 CG GLU A 27 13.626 2.256 -4.470 1.00 0.00 C ATOM 391 CD GLU A 27 13.805 3.307 -5.549 1.00 0.00 C ATOM 392 OE1 GLU A 27 13.158 3.186 -6.610 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.593 4.251 -5.330 1.00 0.00 O ATOM 0 H GLU A 27 12.377 1.517 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 27 12.773 4.046 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.975 1.253 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.513 2.538 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.355 2.426 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.834 1.271 -4.889 1.00 0.00 H new ATOM 400 N ALA A 28 9.677 2.909 -2.467 1.00 0.00 N ATOM 401 CA ALA A 28 8.280 3.321 -2.419 1.00 0.00 C ATOM 402 C ALA A 28 8.120 4.634 -1.660 1.00 0.00 C ATOM 403 O ALA A 28 7.257 5.449 -1.984 1.00 0.00 O ATOM 404 CB ALA A 28 7.430 2.233 -1.779 1.00 0.00 C ATOM 0 H ALA A 28 9.827 1.908 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 28 7.939 3.479 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.389 2.555 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.511 1.317 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.781 2.047 -0.764 1.00 0.00 H new ATOM 410 N TYR A 29 8.957 4.832 -0.648 1.00 0.00 N ATOM 411 CA TYR A 29 8.907 6.045 0.160 1.00 0.00 C ATOM 412 C TYR A 29 9.325 7.262 -0.659 1.00 0.00 C ATOM 413 O TYR A 29 8.576 8.230 -0.779 1.00 0.00 O ATOM 414 CB TYR A 29 9.812 5.905 1.385 1.00 0.00 C ATOM 415 CG TYR A 29 9.146 5.215 2.554 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.115 5.830 3.254 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.548 3.948 2.960 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.504 5.204 4.323 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.942 3.314 4.027 1.00 0.00 C ATOM 420 CZ TYR A 29 7.921 3.946 4.705 1.00 0.00 C ATOM 421 OH TYR A 29 7.315 3.318 5.770 1.00 0.00 O ATOM 0 H TYR A 29 9.679 4.168 -0.367 1.00 0.00 H new ATOM 0 HA TYR A 29 7.879 6.188 0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.705 5.346 1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.141 6.896 1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.786 6.815 2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.348 3.451 2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.705 5.697 4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.266 2.329 4.329 1.00 0.00 H new ATOM 0 HH TYR A 29 7.725 2.439 5.908 1.00 0.00 H new ATOM 431 N ASN A 30 10.529 7.204 -1.221 1.00 0.00 N ATOM 432 CA ASN A 30 11.048 8.301 -2.029 1.00 0.00 C ATOM 433 C ASN A 30 10.171 8.537 -3.255 1.00 0.00 C ATOM 434 O ASN A 30 9.976 9.676 -3.683 1.00 0.00 O ATOM 435 CB ASN A 30 12.485 8.004 -2.466 1.00 0.00 C ATOM 436 CG ASN A 30 13.122 9.174 -3.190 1.00 0.00 C ATOM 437 OD1 ASN A 30 12.810 10.333 -2.916 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.020 8.875 -4.121 1.00 0.00 N ATOM 0 H ASN A 30 11.162 6.409 -1.131 1.00 0.00 H new ATOM 0 HA ASN A 30 11.039 9.204 -1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.084 7.752 -1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.491 7.130 -3.118 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.482 9.620 -4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.248 7.900 -4.315 1.00 0.00 H new ATOM 445 N LEU A 31 9.643 7.454 -3.815 1.00 0.00 N ATOM 446 CA LEU A 31 8.785 7.542 -4.991 1.00 0.00 C ATOM 447 C LEU A 31 7.584 8.444 -4.723 1.00 0.00 C ATOM 448 O LEU A 31 7.420 9.484 -5.362 1.00 0.00 O ATOM 449 CB LEU A 31 8.309 6.149 -5.405 1.00 0.00 C ATOM 450 CG LEU A 31 9.337 5.275 -6.125 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.899 3.819 -6.117 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.546 5.762 -7.551 1.00 0.00 C ATOM 0 H LEU A 31 9.794 6.505 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 31 9.368 7.976 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.975 5.621 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.440 6.262 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 31 10.285 5.351 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.643 3.212 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.801 3.474 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.939 3.725 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.281 5.128 -8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.602 5.716 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.906 6.791 -7.535 1.00 0.00 H new ATOM 464 N LEU A 32 6.748 8.040 -3.773 1.00 0.00 N ATOM 465 CA LEU A 32 5.563 8.812 -3.418 1.00 0.00 C ATOM 466 C LEU A 32 5.943 10.224 -2.984 1.00 0.00 C ATOM 467 O LEU A 32 5.105 11.125 -2.968 1.00 0.00 O ATOM 468 CB LEU A 32 4.791 8.112 -2.298 1.00 0.00 C ATOM 469 CG LEU A 32 3.739 7.095 -2.742 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.503 6.060 -1.653 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.438 7.797 -3.104 1.00 0.00 C ATOM 0 H LEU A 32 6.869 7.182 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 32 4.927 8.882 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.508 7.605 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.299 8.873 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 32 4.110 6.581 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.751 5.345 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.435 5.535 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.154 6.557 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.701 7.058 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.063 8.338 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.618 8.499 -3.919 1.00 0.00 H new ATOM 483 N MET A 33 7.212 10.409 -2.635 1.00 0.00 N ATOM 484 CA MET A 33 7.703 11.713 -2.204 1.00 0.00 C ATOM 485 C MET A 33 8.133 12.554 -3.402 1.00 0.00 C ATOM 486 O MET A 33 8.089 13.784 -3.357 1.00 0.00 O ATOM 487 CB MET A 33 8.876 11.545 -1.236 1.00 0.00 C ATOM 488 CG MET A 33 8.448 11.240 0.190 1.00 0.00 C ATOM 489 SD MET A 33 7.329 12.485 0.861 1.00 0.00 S ATOM 490 CE MET A 33 8.419 13.903 0.956 1.00 0.00 C ATOM 0 H MET A 33 7.918 9.673 -2.642 1.00 0.00 H new ATOM 0 HA MET A 33 6.891 12.229 -1.693 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.519 10.741 -1.593 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.473 12.457 -1.240 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.960 10.266 0.218 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.332 11.172 0.824 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.019 14.622 1.671 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.408 13.580 1.281 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.494 14.371 -0.026 1.00 0.00 H new ATOM 500 N THR A 34 8.549 11.884 -4.472 1.00 0.00 N ATOM 501 CA THR A 34 8.988 12.570 -5.680 1.00 0.00 C ATOM 502 C THR A 34 8.002 12.357 -6.823 1.00 0.00 C ATOM 503 O THR A 34 7.236 13.256 -7.171 1.00 0.00 O ATOM 504 CB THR A 34 10.383 12.089 -6.124 1.00 0.00 C ATOM 505 OG1 THR A 34 10.411 10.659 -6.184 1.00 0.00 O ATOM 506 CG2 THR A 34 11.456 12.583 -5.166 1.00 0.00 C ATOM 0 H THR A 34 8.591 10.866 -4.526 1.00 0.00 H new ATOM 0 HA THR A 34 9.037 13.632 -5.440 1.00 0.00 H new ATOM 0 HB THR A 34 10.587 12.498 -7.114 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.321 10.292 -5.280 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.432 12.231 -5.500 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.451 13.673 -5.145 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.255 12.200 -4.166 1.00 0.00 H new ATOM 514 N VAL A 35 8.025 11.161 -7.403 1.00 0.00 N ATOM 515 CA VAL A 35 7.131 10.829 -8.506 1.00 0.00 C ATOM 516 C VAL A 35 5.670 10.945 -8.083 1.00 0.00 C ATOM 517 O VAL A 35 4.793 11.195 -8.908 1.00 0.00 O ATOM 518 CB VAL A 35 7.391 9.405 -9.030 1.00 0.00 C ATOM 519 CG1 VAL A 35 8.833 9.261 -9.492 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.060 8.375 -7.960 1.00 0.00 C ATOM 0 H VAL A 35 8.653 10.406 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 35 7.333 11.544 -9.304 1.00 0.00 H new ATOM 0 HB VAL A 35 6.741 9.227 -9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.998 8.248 -9.859 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.032 9.974 -10.292 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.504 9.458 -8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.250 7.374 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.683 8.549 -7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.010 8.464 -7.682 1.00 0.00 H new ATOM 530 N GLY A 36 5.417 10.761 -6.791 1.00 0.00 N ATOM 531 CA GLY A 36 4.062 10.849 -6.280 1.00 0.00 C ATOM 532 C GLY A 36 3.801 12.150 -5.547 1.00 0.00 C ATOM 533 O GLY A 36 4.652 12.627 -4.796 1.00 0.00 O ATOM 0 H GLY A 36 6.127 10.552 -6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.358 10.754 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.876 10.013 -5.606 1.00 0.00 H new ATOM 537 N GLN A 37 2.624 12.726 -5.767 1.00 0.00 N ATOM 538 CA GLN A 37 2.256 13.981 -5.123 1.00 0.00 C ATOM 539 C GLN A 37 1.374 13.730 -3.904 1.00 0.00 C ATOM 540 O GLN A 37 1.098 12.583 -3.550 1.00 0.00 O ATOM 541 CB GLN A 37 1.530 14.894 -6.113 1.00 0.00 C ATOM 542 CG GLN A 37 2.468 15.725 -6.973 1.00 0.00 C ATOM 543 CD GLN A 37 1.737 16.503 -8.050 1.00 0.00 C ATOM 544 OE1 GLN A 37 0.528 16.719 -7.963 1.00 0.00 O ATOM 545 NE2 GLN A 37 2.468 16.928 -9.074 1.00 0.00 N ATOM 0 H GLN A 37 1.909 12.344 -6.386 1.00 0.00 H new ATOM 0 HA GLN A 37 3.171 14.471 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.900 14.285 -6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.869 15.562 -5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.017 16.420 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.204 15.070 -7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.467 16.726 -9.106 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.030 17.456 -9.829 1.00 0.00 H new ATOM 554 N VAL A 38 0.933 14.809 -3.266 1.00 0.00 N ATOM 555 CA VAL A 38 0.081 14.706 -2.087 1.00 0.00 C ATOM 556 C VAL A 38 -1.247 14.037 -2.426 1.00 0.00 C ATOM 557 O VAL A 38 -2.046 13.735 -1.539 1.00 0.00 O ATOM 558 CB VAL A 38 -0.197 16.090 -1.472 1.00 0.00 C ATOM 559 CG1 VAL A 38 -0.912 15.948 -0.137 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.099 16.870 -1.311 1.00 0.00 C ATOM 0 H VAL A 38 1.152 15.765 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 38 0.618 14.096 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.848 16.645 -2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.100 16.937 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.860 15.431 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.289 15.375 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.885 17.846 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.775 16.321 -0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.567 17.003 -2.286 1.00 0.00 H new ATOM 570 N CYS A 39 -1.476 13.808 -3.714 1.00 0.00 N ATOM 571 CA CYS A 39 -2.708 13.174 -4.171 1.00 0.00 C ATOM 572 C CYS A 39 -2.405 11.920 -4.985 1.00 0.00 C ATOM 573 O CYS A 39 -3.128 11.587 -5.924 1.00 0.00 O ATOM 574 CB CYS A 39 -3.529 14.155 -5.010 1.00 0.00 C ATOM 575 SG CYS A 39 -3.540 15.845 -4.369 1.00 0.00 S ATOM 0 H CYS A 39 -0.825 14.052 -4.461 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.286 12.884 -3.293 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.135 14.166 -6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.556 13.794 -5.070 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.258 16.600 -5.147 1.00 0.00 H new ATOM 581 N SER A 40 -1.330 11.229 -4.618 1.00 0.00 N ATOM 582 CA SER A 40 -0.928 10.014 -5.317 1.00 0.00 C ATOM 583 C SER A 40 -0.712 8.868 -4.334 1.00 0.00 C ATOM 584 O SER A 40 -0.232 9.073 -3.219 1.00 0.00 O ATOM 585 CB SER A 40 0.351 10.261 -6.119 1.00 0.00 C ATOM 586 OG SER A 40 0.458 9.354 -7.202 1.00 0.00 O ATOM 0 H SER A 40 -0.722 11.490 -3.841 1.00 0.00 H new ATOM 0 HA SER A 40 -1.729 9.736 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.356 11.284 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.218 10.157 -5.467 1.00 0.00 H new ATOM 0 HG SER A 40 -0.419 9.245 -7.626 1.00 0.00 H new ATOM 592 N PHE A 41 -1.070 7.659 -4.756 1.00 0.00 N ATOM 593 CA PHE A 41 -0.916 6.479 -3.913 1.00 0.00 C ATOM 594 C PHE A 41 -0.429 5.286 -4.731 1.00 0.00 C ATOM 595 O PHE A 41 -0.167 5.406 -5.928 1.00 0.00 O ATOM 596 CB PHE A 41 -2.243 6.137 -3.231 1.00 0.00 C ATOM 597 CG PHE A 41 -3.283 5.607 -4.176 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.853 6.432 -5.133 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.690 4.285 -4.109 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.812 5.948 -6.003 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.648 3.794 -4.977 1.00 0.00 C ATOM 602 CZ PHE A 41 -5.208 4.627 -5.926 1.00 0.00 C ATOM 0 H PHE A 41 -1.468 7.471 -5.676 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.170 6.703 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.062 5.397 -2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.631 7.030 -2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.544 7.465 -5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.254 3.629 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.251 6.602 -6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.958 2.761 -4.913 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.955 4.246 -6.607 1.00 0.00 H new ATOM 612 N LEU A 42 -0.310 4.137 -4.076 1.00 0.00 N ATOM 613 CA LEU A 42 0.146 2.921 -4.741 1.00 0.00 C ATOM 614 C LEU A 42 -0.039 1.705 -3.839 1.00 0.00 C ATOM 615 O LEU A 42 -0.146 1.834 -2.619 1.00 0.00 O ATOM 616 CB LEU A 42 1.617 3.056 -5.140 1.00 0.00 C ATOM 617 CG LEU A 42 2.596 3.356 -4.004 1.00 0.00 C ATOM 618 CD1 LEU A 42 3.011 2.071 -3.304 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.816 4.095 -4.533 1.00 0.00 C ATOM 0 H LEU A 42 -0.523 4.021 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.456 2.779 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.927 2.131 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.700 3.849 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 42 2.095 3.996 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.708 2.304 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.130 1.581 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.494 1.406 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.502 4.300 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.318 3.480 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.503 5.035 -4.988 1.00 0.00 H new ATOM 631 N VAL A 43 -0.073 0.523 -4.447 1.00 0.00 N ATOM 632 CA VAL A 43 -0.241 -0.717 -3.698 1.00 0.00 C ATOM 633 C VAL A 43 1.003 -1.592 -3.799 1.00 0.00 C ATOM 634 O VAL A 43 1.594 -1.729 -4.870 1.00 0.00 O ATOM 635 CB VAL A 43 -1.459 -1.515 -4.201 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.581 -2.832 -3.450 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.730 -0.691 -4.061 1.00 0.00 C ATOM 0 H VAL A 43 0.014 0.398 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.403 -0.439 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.314 -1.739 -5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.447 -3.382 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.680 -3.425 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.704 -2.634 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.580 -1.270 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.883 -0.434 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.638 0.222 -4.649 1.00 0.00 H new ATOM 647 N ARG A 44 1.396 -2.184 -2.675 1.00 0.00 N ATOM 648 CA ARG A 44 2.571 -3.046 -2.636 1.00 0.00 C ATOM 649 C ARG A 44 2.263 -4.353 -1.911 1.00 0.00 C ATOM 650 O ARG A 44 1.409 -4.413 -1.026 1.00 0.00 O ATOM 651 CB ARG A 44 3.733 -2.329 -1.946 1.00 0.00 C ATOM 652 CG ARG A 44 3.768 -0.833 -2.209 1.00 0.00 C ATOM 653 CD ARG A 44 5.032 -0.198 -1.649 1.00 0.00 C ATOM 654 NE ARG A 44 6.205 -1.043 -1.855 1.00 0.00 N ATOM 655 CZ ARG A 44 6.561 -2.021 -1.029 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.836 -2.277 0.051 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.642 -2.746 -1.284 1.00 0.00 N ATOM 0 H ARG A 44 0.918 -2.082 -1.780 1.00 0.00 H new ATOM 0 HA ARG A 44 2.854 -3.278 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.667 -2.499 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.672 -2.770 -2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.712 -0.650 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.893 -0.363 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.194 0.769 -2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.902 -0.011 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 44 6.783 -0.873 -2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.003 -1.723 0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.111 -3.028 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.201 -2.553 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.914 -3.496 -0.649 1.00 0.00 H new ATOM 671 N PRO A 45 2.972 -5.424 -2.295 1.00 0.00 N ATOM 672 CA PRO A 45 2.792 -6.749 -1.694 1.00 0.00 C ATOM 673 C PRO A 45 3.296 -6.807 -0.256 1.00 0.00 C ATOM 674 O PRO A 45 4.415 -6.386 0.037 1.00 0.00 O ATOM 675 CB PRO A 45 3.630 -7.663 -2.592 1.00 0.00 C ATOM 676 CG PRO A 45 4.664 -6.768 -3.184 1.00 0.00 C ATOM 677 CD PRO A 45 4.006 -5.425 -3.344 1.00 0.00 C ATOM 0 HA PRO A 45 1.741 -7.031 -1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.086 -8.470 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.018 -8.127 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.538 -6.700 -2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.008 -7.151 -4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.717 -4.610 -3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.571 -5.306 -4.337 1.00 0.00 H new ATOM 685 N SER A 46 2.464 -7.332 0.637 1.00 0.00 N ATOM 686 CA SER A 46 2.824 -7.442 2.046 1.00 0.00 C ATOM 687 C SER A 46 4.041 -8.345 2.226 1.00 0.00 C ATOM 688 O SER A 46 3.959 -9.560 2.046 1.00 0.00 O ATOM 689 CB SER A 46 1.646 -7.988 2.855 1.00 0.00 C ATOM 690 OG SER A 46 0.727 -6.958 3.176 1.00 0.00 O ATOM 0 H SER A 46 1.536 -7.688 0.410 1.00 0.00 H new ATOM 0 HA SER A 46 3.074 -6.446 2.410 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.139 -8.767 2.285 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.013 -8.451 3.771 1.00 0.00 H new ATOM 0 HG SER A 46 0.402 -7.083 4.092 1.00 0.00 H new ATOM 757 N ASP A 52 -1.078 -10.707 1.598 1.00 0.00 N ATOM 758 CA ASP A 52 -1.613 -9.411 1.998 1.00 0.00 C ATOM 759 C ASP A 52 -0.997 -8.289 1.169 1.00 0.00 C ATOM 760 O ASP A 52 -0.064 -8.514 0.397 1.00 0.00 O ATOM 761 CB ASP A 52 -1.352 -9.165 3.485 1.00 0.00 C ATOM 762 CG ASP A 52 -1.985 -10.224 4.367 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.125 -11.375 3.904 1.00 0.00 O ATOM 764 OD2 ASP A 52 -2.341 -9.902 5.520 1.00 0.00 O ATOM 0 HA ASP A 52 -2.689 -9.420 1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.277 -9.143 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.741 -8.185 3.762 1.00 0.00 H new ATOM 769 N TYR A 53 -1.524 -7.081 1.333 1.00 0.00 N ATOM 770 CA TYR A 53 -1.029 -5.924 0.597 1.00 0.00 C ATOM 771 C TYR A 53 -0.942 -4.699 1.502 1.00 0.00 C ATOM 772 O TYR A 53 -1.357 -4.738 2.660 1.00 0.00 O ATOM 773 CB TYR A 53 -1.936 -5.627 -0.598 1.00 0.00 C ATOM 774 CG TYR A 53 -1.898 -6.695 -1.668 1.00 0.00 C ATOM 775 CD1 TYR A 53 -2.716 -7.815 -1.588 1.00 0.00 C ATOM 776 CD2 TYR A 53 -1.045 -6.583 -2.759 1.00 0.00 C ATOM 777 CE1 TYR A 53 -2.684 -8.794 -2.562 1.00 0.00 C ATOM 778 CE2 TYR A 53 -1.008 -7.556 -3.739 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.828 -8.660 -3.636 1.00 0.00 C ATOM 780 OH TYR A 53 -1.795 -9.632 -4.609 1.00 0.00 O ATOM 0 H TYR A 53 -2.295 -6.877 1.970 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.028 -6.157 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.961 -5.514 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.643 -4.674 -1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.389 -7.922 -0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.400 -5.721 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.325 -9.659 -2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.340 -7.453 -4.582 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.140 -9.386 -5.295 1.00 0.00 H new ATOM 790 N SER A 54 -0.401 -3.611 0.963 1.00 0.00 N ATOM 791 CA SER A 54 -0.257 -2.374 1.721 1.00 0.00 C ATOM 792 C SER A 54 -0.429 -1.158 0.815 1.00 0.00 C ATOM 793 O SER A 54 0.028 -1.152 -0.328 1.00 0.00 O ATOM 794 CB SER A 54 1.112 -2.325 2.404 1.00 0.00 C ATOM 795 OG SER A 54 1.160 -3.208 3.512 1.00 0.00 O ATOM 0 H SER A 54 -0.055 -3.561 0.005 1.00 0.00 H new ATOM 0 HA SER A 54 -1.036 -2.352 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.889 -2.592 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.320 -1.308 2.736 1.00 0.00 H new ATOM 0 HG SER A 54 0.336 -3.738 3.544 1.00 0.00 H new ATOM 801 N LEU A 55 -1.091 -0.130 1.335 1.00 0.00 N ATOM 802 CA LEU A 55 -1.325 1.092 0.574 1.00 0.00 C ATOM 803 C LEU A 55 -0.511 2.251 1.143 1.00 0.00 C ATOM 804 O LEU A 55 -0.258 2.314 2.346 1.00 0.00 O ATOM 805 CB LEU A 55 -2.813 1.446 0.584 1.00 0.00 C ATOM 806 CG LEU A 55 -3.302 2.322 -0.570 1.00 0.00 C ATOM 807 CD1 LEU A 55 -3.665 1.465 -1.773 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.493 3.163 -0.134 1.00 0.00 C ATOM 0 H LEU A 55 -1.475 -0.119 2.280 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.007 0.918 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.387 0.519 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.039 1.955 1.521 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.494 2.994 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.011 2.105 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.788 0.907 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.457 0.768 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.828 3.780 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.305 2.508 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.201 3.804 0.697 1.00 0.00 H new ATOM 820 N TYR A 56 -0.107 3.167 0.270 1.00 0.00 N ATOM 821 CA TYR A 56 0.678 4.324 0.685 1.00 0.00 C ATOM 822 C TYR A 56 0.150 5.601 0.038 1.00 0.00 C ATOM 823 O TYR A 56 0.057 5.698 -1.186 1.00 0.00 O ATOM 824 CB TYR A 56 2.150 4.125 0.320 1.00 0.00 C ATOM 825 CG TYR A 56 2.873 3.156 1.227 1.00 0.00 C ATOM 826 CD1 TYR A 56 3.354 3.560 2.466 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.075 1.835 0.845 1.00 0.00 C ATOM 828 CE1 TYR A 56 4.016 2.677 3.298 1.00 0.00 C ATOM 829 CE2 TYR A 56 3.735 0.945 1.671 1.00 0.00 C ATOM 830 CZ TYR A 56 4.204 1.371 2.896 1.00 0.00 C ATOM 831 OH TYR A 56 4.861 0.489 3.722 1.00 0.00 O ATOM 0 H TYR A 56 -0.310 3.131 -0.729 1.00 0.00 H new ATOM 0 HA TYR A 56 0.589 4.423 1.767 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.216 3.766 -0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.658 5.089 0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.208 4.582 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.710 1.498 -0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.384 3.008 4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.883 -0.078 1.359 1.00 0.00 H new ATOM 0 HH TYR A 56 4.908 -0.390 3.291 1.00 0.00 H new ATOM 841 N PHE A 57 -0.195 6.578 0.869 1.00 0.00 N ATOM 842 CA PHE A 57 -0.715 7.850 0.380 1.00 0.00 C ATOM 843 C PHE A 57 0.082 9.019 0.952 1.00 0.00 C ATOM 844 O PHE A 57 0.514 8.985 2.104 1.00 0.00 O ATOM 845 CB PHE A 57 -2.193 7.997 0.748 1.00 0.00 C ATOM 846 CG PHE A 57 -2.834 9.228 0.175 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.772 9.489 -1.185 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.497 10.126 0.996 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.361 10.621 -1.715 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.088 11.260 0.471 1.00 0.00 C ATOM 851 CZ PHE A 57 -4.019 11.508 -0.886 1.00 0.00 C ATOM 0 H PHE A 57 -0.124 6.514 1.885 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.616 7.861 -0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.735 7.118 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.288 8.019 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.257 8.800 -1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.553 9.938 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.307 10.812 -2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.603 11.951 1.121 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.479 12.394 -1.298 1.00 0.00 H new ATOM 861 N ARG A 58 0.272 10.052 0.138 1.00 0.00 N ATOM 862 CA ARG A 58 1.018 11.231 0.561 1.00 0.00 C ATOM 863 C ARG A 58 0.079 12.302 1.106 1.00 0.00 C ATOM 864 O ARG A 58 -0.893 12.683 0.452 1.00 0.00 O ATOM 865 CB ARG A 58 1.828 11.795 -0.608 1.00 0.00 C ATOM 866 CG ARG A 58 2.617 13.045 -0.255 1.00 0.00 C ATOM 867 CD ARG A 58 3.852 12.711 0.568 1.00 0.00 C ATOM 868 NE ARG A 58 4.452 13.902 1.162 1.00 0.00 N ATOM 869 CZ ARG A 58 5.151 14.796 0.471 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.336 14.633 -0.832 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.667 15.854 1.083 1.00 0.00 N ATOM 0 H ARG A 58 -0.080 10.096 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 58 1.701 10.932 1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.517 11.029 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.151 12.023 -1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.916 13.558 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.981 13.732 0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.583 12.009 1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.586 12.213 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 58 4.328 14.056 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.941 13.820 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.873 15.320 -1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.527 15.982 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.203 16.539 0.551 1.00 0.00 H new ATOM 885 N THR A 59 0.374 12.785 2.309 1.00 0.00 N ATOM 886 CA THR A 59 -0.445 13.810 2.944 1.00 0.00 C ATOM 887 C THR A 59 0.401 15.008 3.361 1.00 0.00 C ATOM 888 O THR A 59 1.587 14.870 3.655 1.00 0.00 O ATOM 889 CB THR A 59 -1.179 13.258 4.180 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.245 12.621 5.060 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.256 12.266 3.771 1.00 0.00 C ATOM 0 H THR A 59 1.175 12.482 2.863 1.00 0.00 H new ATOM 0 HA THR A 59 -1.182 14.128 2.206 1.00 0.00 H new ATOM 0 HB THR A 59 -1.654 14.092 4.697 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.099 11.806 4.638 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.761 11.890 4.661 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.981 12.762 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.800 11.435 3.234 1.00 0.00 H new ATOM 899 N ASN A 60 -0.219 16.184 3.386 1.00 0.00 N ATOM 900 CA ASN A 60 0.478 17.407 3.769 1.00 0.00 C ATOM 901 C ASN A 60 1.291 17.194 5.042 1.00 0.00 C ATOM 902 O ASN A 60 2.337 17.813 5.232 1.00 0.00 O ATOM 903 CB ASN A 60 -0.523 18.546 3.974 1.00 0.00 C ATOM 904 CG ASN A 60 -0.969 19.167 2.664 1.00 0.00 C ATOM 905 OD1 ASN A 60 -0.567 18.726 1.587 1.00 0.00 O ATOM 906 ND2 ASN A 60 -1.804 20.196 2.752 1.00 0.00 N ATOM 0 H ASN A 60 -1.202 16.316 3.146 1.00 0.00 H new ATOM 0 HA ASN A 60 1.162 17.674 2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.394 18.168 4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.072 19.314 4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.139 20.655 1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.111 20.527 3.667 1.00 0.00 H new ATOM 913 N GLU A 61 0.802 16.314 5.910 1.00 0.00 N ATOM 914 CA GLU A 61 1.484 16.020 7.165 1.00 0.00 C ATOM 915 C GLU A 61 2.637 15.045 6.942 1.00 0.00 C ATOM 916 O GLU A 61 3.805 15.425 6.996 1.00 0.00 O ATOM 917 CB GLU A 61 0.500 15.440 8.182 1.00 0.00 C ATOM 918 CG GLU A 61 -0.661 16.367 8.503 1.00 0.00 C ATOM 919 CD GLU A 61 -1.651 15.749 9.470 1.00 0.00 C ATOM 920 OE1 GLU A 61 -1.325 15.653 10.672 1.00 0.00 O ATOM 921 OE2 GLU A 61 -2.751 15.360 9.026 1.00 0.00 O ATOM 0 H GLU A 61 -0.063 15.793 5.767 1.00 0.00 H new ATOM 0 HA GLU A 61 1.890 16.953 7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.107 14.499 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.036 15.210 9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.274 17.294 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.177 16.630 7.580 1.00 0.00 H new ATOM 928 N ASN A 62 2.297 13.784 6.693 1.00 0.00 N ATOM 929 CA ASN A 62 3.302 12.753 6.463 1.00 0.00 C ATOM 930 C ASN A 62 2.679 11.519 5.817 1.00 0.00 C ATOM 931 O ASN A 62 1.552 11.140 6.139 1.00 0.00 O ATOM 932 CB ASN A 62 3.976 12.366 7.781 1.00 0.00 C ATOM 933 CG ASN A 62 2.972 12.057 8.875 1.00 0.00 C ATOM 934 OD1 ASN A 62 2.284 11.037 8.832 1.00 0.00 O ATOM 935 ND2 ASN A 62 2.884 12.940 9.864 1.00 0.00 N ATOM 0 H ASN A 62 1.334 13.452 6.645 1.00 0.00 H new ATOM 0 HA ASN A 62 4.052 13.158 5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.612 11.496 7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.625 13.179 8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.226 12.786 10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.474 13.772 9.859 1.00 0.00 H new ATOM 942 N ILE A 63 3.419 10.898 4.905 1.00 0.00 N ATOM 943 CA ILE A 63 2.939 9.707 4.215 1.00 0.00 C ATOM 944 C ILE A 63 2.355 8.699 5.199 1.00 0.00 C ATOM 945 O ILE A 63 3.006 8.318 6.171 1.00 0.00 O ATOM 946 CB ILE A 63 4.066 9.029 3.413 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.596 9.978 2.335 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.566 7.735 2.788 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.919 9.543 1.745 1.00 0.00 C ATOM 0 H ILE A 63 4.353 11.200 4.627 1.00 0.00 H new ATOM 0 HA ILE A 63 2.159 10.034 3.527 1.00 0.00 H new ATOM 0 HB ILE A 63 4.883 8.789 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.859 10.055 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.708 10.974 2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.373 7.267 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.232 7.057 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.734 7.952 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.234 10.262 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.670 9.493 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.808 8.560 1.287 1.00 0.00 H new ATOM 961 N GLN A 64 1.124 8.272 4.939 1.00 0.00 N ATOM 962 CA GLN A 64 0.452 7.308 5.802 1.00 0.00 C ATOM 963 C GLN A 64 0.730 5.880 5.343 1.00 0.00 C ATOM 964 O GLN A 64 1.490 5.658 4.400 1.00 0.00 O ATOM 965 CB GLN A 64 -1.056 7.567 5.815 1.00 0.00 C ATOM 966 CG GLN A 64 -1.467 8.714 6.725 1.00 0.00 C ATOM 967 CD GLN A 64 -2.863 8.538 7.289 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.119 7.620 8.070 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.776 9.420 6.898 1.00 0.00 N ATOM 0 H GLN A 64 0.572 8.578 4.138 1.00 0.00 H new ATOM 0 HA GLN A 64 0.843 7.429 6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.388 7.782 4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.570 6.660 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.755 8.795 7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.419 9.650 6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.521 10.165 6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.732 9.352 7.246 1.00 0.00 H new ATOM 978 N ARG A 65 0.110 4.916 6.015 1.00 0.00 N ATOM 979 CA ARG A 65 0.292 3.510 5.677 1.00 0.00 C ATOM 980 C ARG A 65 -0.887 2.675 6.169 1.00 0.00 C ATOM 981 O ARG A 65 -1.136 2.581 7.371 1.00 0.00 O ATOM 982 CB ARG A 65 1.593 2.982 6.284 1.00 0.00 C ATOM 983 CG ARG A 65 1.875 1.526 5.949 1.00 0.00 C ATOM 984 CD ARG A 65 3.137 1.030 6.638 1.00 0.00 C ATOM 985 NE ARG A 65 3.098 -0.410 6.881 1.00 0.00 N ATOM 986 CZ ARG A 65 2.357 -0.975 7.828 1.00 0.00 C ATOM 987 NH1 ARG A 65 1.597 -0.226 8.615 1.00 0.00 N ATOM 988 NH2 ARG A 65 2.374 -2.292 7.988 1.00 0.00 N ATOM 0 H ARG A 65 -0.523 5.083 6.797 1.00 0.00 H new ATOM 0 HA ARG A 65 0.345 3.427 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.423 3.594 5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.551 3.095 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.028 0.911 6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.980 1.414 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.004 1.271 6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.263 1.554 7.585 1.00 0.00 H new ATOM 0 HE ARG A 65 3.671 -1.014 6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.580 0.787 8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.029 -0.662 9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.956 -2.872 7.384 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.805 -2.725 8.715 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.609 2.071 5.231 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.763 1.245 5.569 1.00 0.00 C ATOM 1004 C PHE A 66 -2.420 -0.238 5.463 1.00 0.00 C ATOM 1005 O PHE A 66 -1.328 -0.605 5.028 1.00 0.00 O ATOM 1006 CB PHE A 66 -3.940 1.575 4.648 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.374 3.011 4.721 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -5.192 3.449 5.751 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -3.966 3.922 3.761 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -5.593 4.770 5.821 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -4.364 5.244 3.827 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.180 5.668 4.857 1.00 0.00 C ATOM 0 H PHE A 66 -1.416 2.138 4.232 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.045 1.462 6.599 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.664 1.339 3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.784 0.935 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.519 2.751 6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.330 3.596 2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.229 5.099 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.037 5.945 3.073 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.495 6.700 4.908 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.360 -1.086 5.864 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.161 -2.530 5.815 1.00 0.00 C ATOM 1024 C LYS A 67 -4.370 -3.226 5.199 1.00 0.00 C ATOM 1025 O LYS A 67 -5.500 -3.044 5.652 1.00 0.00 O ATOM 1026 CB LYS A 67 -2.905 -3.078 7.221 1.00 0.00 C ATOM 1027 CG LYS A 67 -4.130 -3.049 8.118 1.00 0.00 C ATOM 1028 CD LYS A 67 -3.816 -3.571 9.509 1.00 0.00 C ATOM 1029 CE LYS A 67 -4.866 -3.133 10.519 1.00 0.00 C ATOM 1030 NZ LYS A 67 -6.204 -3.711 10.213 1.00 0.00 N ATOM 0 H LYS A 67 -4.269 -0.798 6.227 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.291 -2.730 5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.547 -4.105 7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.109 -2.498 7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.506 -2.028 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.922 -3.651 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.763 -4.659 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.836 -3.210 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.558 -3.439 11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.933 -2.045 10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.880 -3.431 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.532 -3.358 9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.135 -4.748 10.182 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.124 -4.024 4.165 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.193 -4.749 3.489 1.00 0.00 C ATOM 1046 C ILE A 68 -5.064 -6.252 3.711 1.00 0.00 C ATOM 1047 O ILE A 68 -4.162 -6.894 3.172 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.198 -4.463 1.976 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.414 -2.971 1.717 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.273 -5.288 1.285 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -5.017 -2.536 0.324 1.00 0.00 C ATOM 0 H ILE A 68 -3.194 -4.185 3.777 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.132 -4.400 3.919 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.229 -4.747 1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.465 -2.731 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.841 -2.397 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.264 -5.075 0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.077 -6.348 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.249 -5.033 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.197 -1.467 0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.959 -2.744 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.608 -3.083 -0.410 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.972 -6.807 4.506 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.960 -8.236 4.799 1.00 0.00 C ATOM 1065 C CYS A 69 -6.950 -8.981 3.910 1.00 0.00 C ATOM 1066 O CYS A 69 -8.040 -8.494 3.608 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.296 -8.478 6.271 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.071 -7.820 7.426 1.00 0.00 S ATOM 0 H CYS A 69 -6.725 -6.290 4.959 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.959 -8.616 4.595 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.264 -8.028 6.490 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.398 -9.550 6.438 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.445 -8.072 8.645 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.563 -10.190 3.477 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.402 -11.028 2.615 1.00 0.00 C ATOM 1076 C PRO A 70 -8.623 -11.573 3.346 1.00 0.00 C ATOM 1077 O PRO A 70 -8.629 -11.680 4.573 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.466 -12.170 2.212 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.463 -12.243 3.311 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.277 -10.833 3.797 1.00 0.00 C ATOM 0 HA PRO A 70 -7.804 -10.469 1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.009 -13.109 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.988 -11.971 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.812 -12.890 4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.522 -12.660 2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.067 -10.801 4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.445 -10.341 3.293 1.00 0.00 H new ATOM 1088 N THR A 71 -9.658 -11.917 2.586 1.00 0.00 N ATOM 1089 CA THR A 71 -10.886 -12.450 3.162 1.00 0.00 C ATOM 1090 C THR A 71 -11.300 -13.745 2.473 1.00 0.00 C ATOM 1091 O THR A 71 -11.008 -13.972 1.299 1.00 0.00 O ATOM 1092 CB THR A 71 -12.041 -11.436 3.060 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.144 -10.944 1.720 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.827 -10.273 4.018 1.00 0.00 C ATOM 0 H THR A 71 -9.670 -11.836 1.569 1.00 0.00 H new ATOM 0 HA THR A 71 -10.680 -12.651 4.213 1.00 0.00 H new ATOM 0 HB THR A 71 -12.966 -11.944 3.332 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.309 -11.125 1.240 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.655 -9.570 3.928 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.779 -10.648 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.893 -9.767 3.773 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.997 -14.616 3.218 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.467 -15.904 2.698 1.00 0.00 C ATOM 1104 C PRO A 72 -13.581 -15.741 1.669 1.00 0.00 C ATOM 1105 O PRO A 72 -13.991 -16.708 1.027 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.991 -16.620 3.945 1.00 0.00 C ATOM 1107 CG PRO A 72 -13.357 -15.524 4.885 1.00 0.00 C ATOM 1108 CD PRO A 72 -12.381 -14.411 4.625 1.00 0.00 C ATOM 0 HA PRO A 72 -11.677 -16.447 2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.853 -17.244 3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.232 -17.273 4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.381 -15.192 4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.297 -15.861 5.920 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.837 -13.433 4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.519 -14.469 5.289 1.00 0.00 H new ATOM 1116 N ASN A 73 -14.065 -14.513 1.517 1.00 0.00 N ATOM 1117 CA ASN A 73 -15.132 -14.225 0.565 1.00 0.00 C ATOM 1118 C ASN A 73 -14.575 -13.569 -0.695 1.00 0.00 C ATOM 1119 O ASN A 73 -15.132 -12.594 -1.197 1.00 0.00 O ATOM 1120 CB ASN A 73 -16.183 -13.315 1.205 1.00 0.00 C ATOM 1121 CG ASN A 73 -17.189 -14.089 2.035 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -16.864 -14.601 3.106 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -18.419 -14.177 1.542 1.00 0.00 N ATOM 0 H ASN A 73 -13.736 -13.702 2.040 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.600 -15.169 0.285 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.686 -12.578 1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.707 -12.764 0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -19.139 -14.685 2.056 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.644 -13.737 0.650 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.473 -14.113 -1.200 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.840 -13.581 -2.401 1.00 0.00 C ATOM 1132 C ASN A 74 -12.928 -12.058 -2.434 1.00 0.00 C ATOM 1133 O ASN A 74 -13.338 -11.472 -3.435 1.00 0.00 O ATOM 1134 CB ASN A 74 -13.497 -14.168 -3.652 1.00 0.00 C ATOM 1135 CG ASN A 74 -15.010 -14.193 -3.552 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -15.685 -13.240 -3.940 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -15.550 -15.288 -3.028 1.00 0.00 N ATOM 0 H ASN A 74 -13.000 -14.922 -0.797 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.788 -13.866 -2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.203 -13.582 -4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.129 -15.182 -3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.563 -15.362 -2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.952 -16.054 -2.719 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.539 -11.425 -1.332 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.574 -9.970 -1.234 1.00 0.00 C ATOM 1146 C GLN A 75 -11.371 -9.448 -0.457 1.00 0.00 C ATOM 1147 O GLN A 75 -10.521 -10.221 -0.014 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.869 -9.514 -0.560 1.00 0.00 C ATOM 1149 CG GLN A 75 -15.052 -9.428 -1.511 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.303 -8.897 -0.839 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.484 -7.687 -0.705 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.176 -9.803 -0.413 1.00 0.00 N ATOM 0 H GLN A 75 -12.196 -11.896 -0.495 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.536 -9.562 -2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.112 -10.205 0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.707 -8.537 -0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.793 -8.782 -2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.256 -10.417 -1.921 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.985 -10.796 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.037 -9.505 0.046 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.305 -8.130 -0.294 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.204 -7.504 0.430 1.00 0.00 C ATOM 1163 C PHE A 76 -10.729 -6.527 1.478 1.00 0.00 C ATOM 1164 O PHE A 76 -11.600 -5.705 1.195 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.276 -6.774 -0.544 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.229 -7.662 -1.153 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -7.283 -8.287 -0.356 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -8.190 -7.871 -2.522 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -6.318 -9.105 -0.913 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -7.227 -8.688 -3.085 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.290 -9.305 -2.280 1.00 0.00 C ATOM 0 H PHE A 76 -12.000 -7.476 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.643 -8.288 0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.874 -6.331 -1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.785 -5.954 -0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.300 -8.133 0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.920 -7.390 -3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.587 -9.587 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.208 -8.843 -4.154 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.537 -9.943 -2.718 1.00 0.00 H new ATOM 1181 N MET A 77 -10.193 -6.626 2.690 1.00 0.00 N ATOM 1182 CA MET A 77 -10.606 -5.751 3.782 1.00 0.00 C ATOM 1183 C MET A 77 -9.674 -4.550 3.898 1.00 0.00 C ATOM 1184 O MET A 77 -8.454 -4.702 3.955 1.00 0.00 O ATOM 1185 CB MET A 77 -10.629 -6.524 5.102 1.00 0.00 C ATOM 1186 CG MET A 77 -11.970 -7.175 5.402 1.00 0.00 C ATOM 1187 SD MET A 77 -11.849 -8.471 6.649 1.00 0.00 S ATOM 1188 CE MET A 77 -11.390 -7.512 8.091 1.00 0.00 C ATOM 0 H MET A 77 -9.472 -7.303 2.941 1.00 0.00 H new ATOM 0 HA MET A 77 -11.611 -5.389 3.564 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.858 -7.294 5.076 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.374 -5.845 5.916 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.671 -6.413 5.742 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.378 -7.597 4.484 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.329 -8.168 8.960 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.421 -7.042 7.922 1.00 0.00 H new ATOM 0 HE3 MET A 77 -12.140 -6.742 8.270 1.00 0.00 H new ATOM 1198 N MET A 78 -10.256 -3.356 3.934 1.00 0.00 N ATOM 1199 CA MET A 78 -9.476 -2.128 4.045 1.00 0.00 C ATOM 1200 C MET A 78 -9.966 -1.277 5.211 1.00 0.00 C ATOM 1201 O MET A 78 -10.943 -0.540 5.087 1.00 0.00 O ATOM 1202 CB MET A 78 -9.558 -1.327 2.744 1.00 0.00 C ATOM 1203 CG MET A 78 -8.332 -0.468 2.481 1.00 0.00 C ATOM 1204 SD MET A 78 -8.075 0.783 3.755 1.00 0.00 S ATOM 1205 CE MET A 78 -7.268 2.071 2.807 1.00 0.00 C ATOM 0 H MET A 78 -11.265 -3.212 3.888 1.00 0.00 H new ATOM 0 HA MET A 78 -8.437 -2.402 4.229 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.694 -2.016 1.911 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.440 -0.687 2.776 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.451 -1.107 2.422 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.437 0.021 1.513 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.376 3.025 3.323 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.209 1.835 2.699 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.727 2.138 1.821 1.00 0.00 H new ATOM 1215 N GLY A 79 -9.280 -1.383 6.346 1.00 0.00 N ATOM 1216 CA GLY A 79 -9.661 -0.617 7.518 1.00 0.00 C ATOM 1217 C GLY A 79 -10.650 -1.356 8.397 1.00 0.00 C ATOM 1218 O GLY A 79 -10.335 -1.722 9.528 1.00 0.00 O ATOM 0 H GLY A 79 -8.467 -1.986 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.770 -0.380 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.097 0.331 7.203 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.854 -1.576 7.875 1.00 0.00 N ATOM 1223 CA GLY A 80 -12.875 -2.273 8.635 1.00 0.00 C ATOM 1224 C GLY A 80 -14.101 -2.592 7.801 1.00 0.00 C ATOM 1225 O GLY A 80 -15.200 -2.743 8.335 1.00 0.00 O ATOM 0 H GLY A 80 -12.140 -1.284 6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.459 -3.199 9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.169 -1.662 9.489 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.913 -2.693 6.490 1.00 0.00 N ATOM 1230 CA ARG A 81 -15.013 -2.992 5.581 1.00 0.00 C ATOM 1231 C ARG A 81 -14.591 -4.024 4.539 1.00 0.00 C ATOM 1232 O ARG A 81 -13.442 -4.467 4.518 1.00 0.00 O ATOM 1233 CB ARG A 81 -15.490 -1.716 4.886 1.00 0.00 C ATOM 1234 CG ARG A 81 -14.382 -0.959 4.173 1.00 0.00 C ATOM 1235 CD ARG A 81 -13.760 0.097 5.073 1.00 0.00 C ATOM 1236 NE ARG A 81 -14.686 1.191 5.354 1.00 0.00 N ATOM 1237 CZ ARG A 81 -14.333 2.313 5.972 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -13.081 2.487 6.371 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -15.233 3.263 6.191 1.00 0.00 N ATOM 0 H ARG A 81 -13.009 -2.572 6.033 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.833 -3.406 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.265 -1.974 4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.949 -1.060 5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.613 -1.659 3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.782 -0.485 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.448 -0.364 6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.863 0.494 4.599 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.657 1.088 5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.387 1.759 6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.812 3.349 6.845 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.197 3.132 5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.961 4.124 6.666 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.528 -4.403 3.676 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.254 -5.384 2.633 1.00 0.00 C ATOM 1255 C TYR A 82 -15.284 -4.735 1.253 1.00 0.00 C ATOM 1256 O TYR A 82 -16.054 -3.806 1.008 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.274 -6.523 2.696 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.466 -7.089 4.085 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.374 -7.376 4.895 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.737 -7.337 4.586 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.544 -7.894 6.165 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.917 -7.853 5.855 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.818 -8.130 6.640 1.00 0.00 C ATOM 1264 OH TYR A 82 -16.992 -8.645 7.904 1.00 0.00 O ATOM 0 H TYR A 82 -16.483 -4.046 3.679 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.256 -5.788 2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.233 -6.162 2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.954 -7.323 2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.376 -7.191 4.526 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.600 -7.123 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.685 -8.113 6.782 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.913 -8.038 6.230 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.949 -8.750 8.085 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.441 -5.232 0.355 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.367 -4.701 -1.001 1.00 0.00 C ATOM 1276 C TYR A 83 -14.256 -5.828 -2.023 1.00 0.00 C ATOM 1277 O TYR A 83 -13.538 -6.804 -1.810 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.173 -3.754 -1.136 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.408 -2.392 -0.523 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -14.067 -1.394 -1.230 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -12.970 -2.104 0.764 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -14.282 -0.148 -0.674 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -13.183 -0.861 1.329 1.00 0.00 C ATOM 1284 CZ TYR A 83 -13.838 0.114 0.606 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.052 1.353 1.164 1.00 0.00 O ATOM 0 H TYR A 83 -13.799 -6.002 0.542 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.285 -4.147 -1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.303 -4.210 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -12.935 -3.631 -2.193 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -14.417 -1.596 -2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -12.455 -2.864 1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.795 0.617 -1.238 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -12.838 -0.654 2.331 1.00 0.00 H new ATOM 0 HH TYR A 83 -13.679 1.373 2.070 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.972 -5.684 -3.133 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.954 -6.690 -4.189 1.00 0.00 C ATOM 1297 C ASN A 84 -13.522 -7.049 -4.574 1.00 0.00 C ATOM 1298 O ASN A 84 -13.194 -8.221 -4.761 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.712 -6.183 -5.418 1.00 0.00 C ATOM 1300 CG ASN A 84 -15.655 -7.159 -6.576 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -14.620 -7.309 -7.226 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -16.770 -7.829 -6.841 1.00 0.00 N ATOM 0 H ASN A 84 -15.571 -4.881 -3.325 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.446 -7.586 -3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.753 -6.002 -5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.292 -5.227 -5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -16.792 -8.500 -7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.605 -7.673 -6.276 1.00 0.00 H new ATOM 1309 N SER A 85 -12.674 -6.033 -4.690 1.00 0.00 N ATOM 1310 CA SER A 85 -11.277 -6.240 -5.056 1.00 0.00 C ATOM 1311 C SER A 85 -10.500 -4.929 -4.999 1.00 0.00 C ATOM 1312 O SER A 85 -11.086 -3.852 -4.889 1.00 0.00 O ATOM 1313 CB SER A 85 -11.180 -6.843 -6.459 1.00 0.00 C ATOM 1314 OG SER A 85 -11.226 -8.259 -6.410 1.00 0.00 O ATOM 0 H SER A 85 -12.929 -5.058 -4.536 1.00 0.00 H new ATOM 0 HA SER A 85 -10.838 -6.933 -4.339 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.998 -6.471 -7.076 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.252 -6.522 -6.933 1.00 0.00 H new ATOM 0 HG SER A 85 -11.943 -8.542 -5.805 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.177 -5.029 -5.073 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.319 -3.852 -5.030 1.00 0.00 C ATOM 1322 C ILE A 86 -8.748 -2.821 -6.068 1.00 0.00 C ATOM 1323 O ILE A 86 -9.159 -1.713 -5.725 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.843 -4.222 -5.271 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.370 -5.230 -4.222 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -5.973 -2.974 -5.245 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.901 -5.574 -4.334 1.00 0.00 C ATOM 0 H ILE A 86 -8.676 -5.913 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.420 -3.424 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.755 -4.682 -6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.566 -4.827 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.957 -6.143 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.933 -3.252 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.299 -2.287 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.063 -2.488 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.636 -6.293 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.702 -6.007 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.305 -4.670 -4.209 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.652 -3.194 -7.341 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.036 -2.291 -8.410 1.00 0.00 C ATOM 1341 C GLY A 87 -10.283 -1.496 -8.077 1.00 0.00 C ATOM 1342 O GLY A 87 -10.397 -0.326 -8.443 1.00 0.00 O ATOM 0 H GLY A 87 -8.315 -4.106 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.215 -1.604 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.207 -2.864 -9.322 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.221 -2.132 -7.384 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.466 -1.477 -7.003 1.00 0.00 C ATOM 1348 C ASP A 88 -12.217 -0.412 -5.940 1.00 0.00 C ATOM 1349 O ASP A 88 -12.735 0.702 -6.029 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.472 -2.507 -6.485 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.323 -3.093 -7.594 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -14.883 -2.310 -8.388 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -14.429 -4.336 -7.667 1.00 0.00 O ATOM 0 H ASP A 88 -11.142 -3.101 -7.075 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.878 -0.992 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.937 -3.310 -5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.119 -2.038 -5.744 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.422 -0.762 -4.934 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.104 0.164 -3.854 1.00 0.00 C ATOM 1360 C ILE A 89 -10.747 1.543 -4.400 1.00 0.00 C ATOM 1361 O ILE A 89 -11.041 2.563 -3.776 1.00 0.00 O ATOM 1362 CB ILE A 89 -9.936 -0.353 -2.994 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.402 -1.508 -2.105 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.360 0.773 -2.150 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.272 -2.205 -1.379 1.00 0.00 C ATOM 0 H ILE A 89 -10.986 -1.680 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.996 0.241 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.152 -0.721 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.114 -1.128 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.933 -2.236 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.535 0.391 -1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -8.996 1.567 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.135 1.169 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.675 -3.012 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.571 -2.615 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.754 -1.490 -0.740 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.113 1.566 -5.567 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.719 2.819 -6.198 1.00 0.00 C ATOM 1379 C ILE A 90 -10.937 3.598 -6.682 1.00 0.00 C ATOM 1380 O ILE A 90 -11.094 4.780 -6.376 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.772 2.577 -7.388 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.425 2.043 -6.895 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.581 3.861 -8.182 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -7.392 0.539 -6.739 1.00 0.00 C ATOM 0 H ILE A 90 -9.861 0.730 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.195 3.402 -5.441 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.219 1.830 -8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.646 2.345 -7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.189 2.505 -5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.909 3.674 -9.020 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.545 4.202 -8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.152 4.627 -7.537 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.407 0.231 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.148 0.231 -6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.596 0.069 -7.701 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.799 2.927 -7.439 1.00 0.00 N ATOM 1397 CA ASP A 91 -13.006 3.554 -7.964 1.00 0.00 C ATOM 1398 C ASP A 91 -13.970 3.906 -6.836 1.00 0.00 C ATOM 1399 O ASP A 91 -14.809 4.797 -6.977 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.692 2.628 -8.969 1.00 0.00 C ATOM 1401 CG ASP A 91 -14.668 3.366 -9.864 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -14.470 4.579 -10.083 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -15.629 2.730 -10.346 1.00 0.00 O ATOM 0 H ASP A 91 -11.684 1.948 -7.703 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.717 4.475 -8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.936 2.141 -9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.221 1.841 -8.431 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.847 3.199 -5.717 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.708 3.436 -4.564 1.00 0.00 C ATOM 1410 C HIS A 92 -14.239 4.656 -3.776 1.00 0.00 C ATOM 1411 O HIS A 92 -15.049 5.398 -3.221 1.00 0.00 O ATOM 1412 CB HIS A 92 -14.731 2.207 -3.656 1.00 0.00 C ATOM 1413 CG HIS A 92 -15.969 2.102 -2.819 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.156 2.823 -1.659 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.087 1.357 -2.982 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.334 2.524 -1.143 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -17.920 1.637 -1.927 1.00 0.00 N ATOM 0 H HIS A 92 -13.159 2.457 -5.584 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.717 3.627 -4.930 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -14.640 1.311 -4.270 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -13.861 2.234 -3.000 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.287 0.670 -3.791 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -17.748 2.935 -0.234 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -18.841 1.227 -1.774 1.00 0.00 H new ATOM 1425 N TYR A 93 -12.926 4.856 -3.733 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.349 5.984 -3.011 1.00 0.00 C ATOM 1427 C TYR A 93 -12.459 7.268 -3.827 1.00 0.00 C ATOM 1428 O TYR A 93 -12.595 8.359 -3.274 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.883 5.705 -2.675 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.691 4.972 -1.366 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.302 5.418 -0.201 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -9.899 3.832 -1.295 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.128 4.752 0.997 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -9.721 3.159 -0.102 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.337 3.623 1.041 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.163 2.956 2.232 1.00 0.00 O ATOM 0 H TYR A 93 -12.242 4.252 -4.189 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.909 6.114 -2.085 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.440 5.118 -3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.342 6.650 -2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.924 6.301 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.414 3.466 -2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.609 5.113 1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.103 2.274 -0.065 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.864 2.040 2.053 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.401 7.128 -5.148 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.494 8.276 -6.042 1.00 0.00 C ATOM 1448 C ARG A 94 -13.689 9.152 -5.680 1.00 0.00 C ATOM 1449 O ARG A 94 -13.662 10.368 -5.870 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.610 7.810 -7.494 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.271 7.514 -8.149 1.00 0.00 C ATOM 1452 CD ARG A 94 -11.362 7.595 -9.665 1.00 0.00 C ATOM 1453 NE ARG A 94 -11.863 8.891 -10.115 1.00 0.00 N ATOM 1454 CZ ARG A 94 -12.035 9.208 -11.393 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -11.748 8.328 -12.343 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -12.495 10.408 -11.724 1.00 0.00 N ATOM 0 H ARG A 94 -12.290 6.232 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.585 8.867 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.228 6.913 -7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.126 8.577 -8.072 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.525 8.223 -7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.933 6.520 -7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.377 7.417 -10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.018 6.806 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.093 9.591 -9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.394 7.405 -12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.881 8.575 -13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.717 11.088 -10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.627 10.651 -12.706 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.738 8.526 -5.158 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.944 9.247 -4.768 1.00 0.00 C ATOM 1472 C LYS A 95 -16.036 9.373 -3.251 1.00 0.00 C ATOM 1473 O LYS A 95 -16.854 10.132 -2.731 1.00 0.00 O ATOM 1474 CB LYS A 95 -17.186 8.533 -5.307 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.481 7.216 -4.611 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.393 7.412 -3.411 1.00 0.00 C ATOM 1477 CE LYS A 95 -19.859 7.300 -3.801 1.00 0.00 C ATOM 1478 NZ LYS A 95 -20.309 5.882 -3.867 1.00 0.00 N ATOM 0 H LYS A 95 -14.777 7.520 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.893 10.248 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -18.048 9.191 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.055 8.349 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -17.948 6.528 -5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.547 6.757 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.160 6.667 -2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.207 8.390 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -20.469 7.841 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -20.015 7.776 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.313 5.849 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -19.744 5.371 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.185 5.435 -2.936 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.191 8.627 -2.547 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.178 8.657 -1.089 1.00 0.00 C ATOM 1494 C GLU A 96 -13.775 8.949 -0.564 1.00 0.00 C ATOM 1495 O GLU A 96 -12.830 8.213 -0.847 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.679 7.326 -0.525 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.187 7.272 -0.341 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.626 7.756 1.027 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.268 7.103 2.030 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.326 8.787 1.096 1.00 0.00 O ATOM 0 H GLU A 96 -14.507 7.995 -2.962 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.844 9.455 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.374 6.520 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.197 7.144 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.665 7.881 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.531 6.248 -0.487 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.649 10.028 0.202 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.363 10.418 0.766 1.00 0.00 C ATOM 1509 C GLN A 97 -11.784 9.299 1.626 1.00 0.00 C ATOM 1510 O GLN A 97 -12.350 8.941 2.659 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.512 11.692 1.599 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.646 11.629 2.610 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.629 12.794 3.580 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -13.563 14.008 3.046 1.00 0.00 O flip ATOM 1515 NE2 GLN A 97 -13.674 12.605 4.796 1.00 0.00 N flip ATOM 0 H GLN A 97 -14.422 10.647 0.446 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.677 10.610 -0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.577 11.883 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.679 12.536 0.930 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.599 11.616 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.578 10.695 3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.724 11.655 5.163 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.661 13.399 5.436 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.653 8.751 1.192 1.00 0.00 N ATOM 1525 CA ILE A 98 -9.998 7.673 1.923 1.00 0.00 C ATOM 1526 C ILE A 98 -9.442 8.170 3.253 1.00 0.00 C ATOM 1527 O ILE A 98 -9.112 7.378 4.136 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.854 7.051 1.102 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.178 5.931 1.895 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -7.841 8.117 0.712 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.168 5.144 1.090 1.00 0.00 C ATOM 0 H ILE A 98 -10.172 9.036 0.339 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.756 6.912 2.110 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.272 6.624 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.681 6.362 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.942 5.250 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.038 7.661 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.332 8.883 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.426 8.571 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.729 4.367 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.663 4.684 0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.383 5.813 0.738 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.342 9.489 3.391 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.829 10.092 4.615 1.00 0.00 C ATOM 1545 C VAL A 99 -9.785 11.154 5.147 1.00 0.00 C ATOM 1546 O VAL A 99 -10.752 11.522 4.481 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.445 10.731 4.389 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.697 10.866 5.706 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.639 9.915 3.390 1.00 0.00 C ATOM 0 H VAL A 99 -9.609 10.159 2.670 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.736 9.290 5.348 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.588 11.730 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.722 11.319 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.270 11.496 6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.562 9.880 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.665 10.380 3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.504 8.903 3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.170 9.876 2.439 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.508 11.642 6.352 1.00 0.00 N ATOM 1560 CA GLU A 100 -10.345 12.661 6.974 1.00 0.00 C ATOM 1561 C GLU A 100 -10.862 13.649 5.933 1.00 0.00 C ATOM 1562 O GLU A 100 -12.014 14.079 5.988 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.560 13.407 8.056 1.00 0.00 C ATOM 1564 CG GLU A 100 -8.572 14.419 7.501 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.938 15.269 8.586 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.658 14.727 9.676 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -7.721 16.475 8.344 1.00 0.00 O ATOM 0 H GLU A 100 -8.711 11.348 6.917 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.199 12.163 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.262 13.920 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.021 12.683 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.790 13.895 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.082 15.067 6.788 1.00 0.00 H new ATOM 1574 N GLY A 101 -10.001 14.005 4.984 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.389 14.941 3.944 1.00 0.00 C ATOM 1576 C GLY A 101 -9.416 14.950 2.782 1.00 0.00 C ATOM 1577 O GLY A 101 -8.824 15.983 2.467 1.00 0.00 O ATOM 0 H GLY A 101 -9.043 13.662 4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.383 14.683 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.455 15.943 4.367 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.250 13.798 2.143 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.339 13.676 1.010 1.00 0.00 C ATOM 1583 C TYR A 102 -8.839 12.629 0.019 1.00 0.00 C ATOM 1584 O TYR A 102 -9.191 11.513 0.402 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.936 13.307 1.495 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.211 14.446 2.175 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.570 14.861 3.451 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.166 15.107 1.540 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.910 15.903 4.075 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.500 16.148 2.157 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.876 16.543 3.424 1.00 0.00 C ATOM 1592 OH TYR A 102 -4.216 17.579 4.043 1.00 0.00 O ATOM 0 H TYR A 102 -9.734 12.935 2.390 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.299 14.640 0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.009 12.469 2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.345 12.967 0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.378 14.361 3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.870 14.801 0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.202 16.214 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.689 16.650 1.650 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.514 17.920 3.450 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.866 12.998 -1.256 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.324 12.093 -2.304 1.00 0.00 C ATOM 1604 C TYR A 103 -8.165 11.665 -3.199 1.00 0.00 C ATOM 1605 O TYR A 103 -7.216 12.421 -3.411 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.412 12.762 -3.145 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.673 13.070 -2.370 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.654 12.102 -2.187 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -11.884 14.328 -1.819 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.808 12.380 -1.480 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.034 14.614 -1.110 1.00 0.00 C ATOM 1612 CZ TYR A 103 -13.993 13.637 -0.943 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.141 13.916 -0.237 1.00 0.00 O ATOM 0 H TYR A 103 -8.576 13.917 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.738 11.205 -1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -10.018 13.688 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.661 12.113 -3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.512 11.116 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.135 15.096 -1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.561 11.617 -1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.182 15.597 -0.689 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.116 14.845 0.075 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.249 10.446 -3.722 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.208 9.915 -4.595 1.00 0.00 C ATOM 1625 C LEU A 104 -7.311 10.516 -5.993 1.00 0.00 C ATOM 1626 O LEU A 104 -8.273 10.264 -6.720 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.310 8.391 -4.674 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.297 7.647 -3.338 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.747 6.207 -3.525 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -5.911 7.698 -2.713 1.00 0.00 C ATOM 0 H LEU A 104 -9.027 9.807 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.240 10.187 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.230 8.135 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.483 8.022 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.996 8.140 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.731 5.693 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.760 6.192 -3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.073 5.702 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.920 7.164 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.191 7.231 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.627 8.736 -2.542 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.314 11.311 -6.365 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.289 11.946 -7.678 1.00 0.00 C ATOM 1644 C LYS A 105 -5.808 10.969 -8.746 1.00 0.00 C ATOM 1645 O LYS A 105 -6.548 10.633 -9.670 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.382 13.178 -7.654 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.030 14.397 -7.020 1.00 0.00 C ATOM 1648 CD LYS A 105 -6.905 15.144 -8.013 1.00 0.00 C ATOM 1649 CE LYS A 105 -7.580 16.345 -7.368 1.00 0.00 C ATOM 1650 NZ LYS A 105 -8.072 17.316 -8.384 1.00 0.00 N ATOM 0 H LYS A 105 -5.511 11.531 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.305 12.255 -7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.470 12.937 -7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.088 13.423 -8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.631 14.087 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.257 15.065 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.299 15.475 -8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.663 14.469 -8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.415 16.006 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.876 16.843 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.526 18.120 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.272 17.659 -8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.763 16.849 -9.005 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.566 10.515 -8.611 1.00 0.00 N ATOM 1665 CA GLU A 106 -3.988 9.576 -9.565 1.00 0.00 C ATOM 1666 C GLU A 106 -2.883 8.750 -8.914 1.00 0.00 C ATOM 1667 O GLU A 106 -2.094 9.247 -8.110 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.433 10.324 -10.779 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.485 11.455 -10.416 1.00 0.00 C ATOM 1670 CD GLU A 106 -2.061 12.270 -11.622 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -2.948 12.716 -12.379 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -0.841 12.463 -11.808 1.00 0.00 O ATOM 0 H GLU A 106 -3.941 10.782 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.777 8.900 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.911 9.617 -11.424 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.264 10.729 -11.357 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.968 12.110 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.600 11.041 -9.932 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.823 7.458 -9.269 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.819 6.535 -8.731 1.00 0.00 C ATOM 1681 C PRO A 107 -0.416 6.841 -9.245 1.00 0.00 C ATOM 1682 O PRO A 107 -0.247 7.341 -10.357 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.287 5.168 -9.237 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.074 5.468 -10.466 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.731 6.798 -10.222 1.00 0.00 C ATOM 0 HA PRO A 107 -1.745 6.601 -7.646 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.441 4.517 -9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.896 4.657 -8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.428 5.507 -11.343 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.818 4.693 -10.652 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.832 7.371 -11.144 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.732 6.681 -9.808 1.00 0.00 H new ATOM 1693 N VAL A 108 0.587 6.538 -8.428 1.00 0.00 N ATOM 1694 CA VAL A 108 1.976 6.780 -8.800 1.00 0.00 C ATOM 1695 C VAL A 108 2.334 6.052 -10.091 1.00 0.00 C ATOM 1696 O VAL A 108 2.181 4.836 -10.210 1.00 0.00 O ATOM 1697 CB VAL A 108 2.942 6.332 -7.687 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.386 6.479 -8.141 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.692 7.127 -6.414 1.00 0.00 C ATOM 0 H VAL A 108 0.464 6.124 -7.504 1.00 0.00 H new ATOM 0 HA VAL A 108 2.080 7.854 -8.951 1.00 0.00 H new ATOM 0 HB VAL A 108 2.759 5.279 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.053 6.158 -7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.554 5.862 -9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.587 7.523 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.383 6.798 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.846 8.188 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.667 6.966 -6.080 1.00 0.00 H new ATOM 1709 N PRO A 109 2.822 6.811 -11.082 1.00 0.00 N ATOM 1710 CA PRO A 109 3.213 6.260 -12.383 1.00 0.00 C ATOM 1711 C PRO A 109 4.468 5.397 -12.294 1.00 0.00 C ATOM 1712 O PRO A 109 5.084 5.290 -11.234 1.00 0.00 O ATOM 1713 CB PRO A 109 3.481 7.506 -13.231 1.00 0.00 C ATOM 1714 CG PRO A 109 3.835 8.566 -12.246 1.00 0.00 C ATOM 1715 CD PRO A 109 3.032 8.267 -11.010 1.00 0.00 C ATOM 0 HA PRO A 109 2.445 5.605 -12.794 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.293 7.336 -13.939 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.603 7.785 -13.814 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.903 8.556 -12.029 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.598 9.556 -12.636 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.568 8.551 -10.104 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.087 8.809 -11.004 1.00 0.00 H new ATOM 1723 N MET A 110 4.839 4.784 -13.412 1.00 0.00 N ATOM 1724 CA MET A 110 6.022 3.932 -13.459 1.00 0.00 C ATOM 1725 C MET A 110 7.244 4.722 -13.918 1.00 0.00 C ATOM 1726 O MET A 110 7.164 5.930 -14.140 1.00 0.00 O ATOM 1727 CB MET A 110 5.786 2.746 -14.397 1.00 0.00 C ATOM 1728 CG MET A 110 4.337 2.288 -14.444 1.00 0.00 C ATOM 1729 SD MET A 110 3.383 3.129 -15.722 1.00 0.00 S ATOM 1730 CE MET A 110 4.304 2.670 -17.189 1.00 0.00 C ATOM 0 H MET A 110 4.339 4.861 -14.297 1.00 0.00 H new ATOM 0 HA MET A 110 6.210 3.559 -12.452 1.00 0.00 H new ATOM 0 HB2 MET A 110 6.105 3.020 -15.403 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.412 1.912 -14.080 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.306 1.213 -14.621 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.873 2.465 -13.474 1.00 0.00 H new ATOM 0 HE1 MET A 110 3.626 2.609 -18.040 1.00 0.00 H new ATOM 0 HE2 MET A 110 5.069 3.420 -17.388 1.00 0.00 H new ATOM 0 HE3 MET A 110 4.778 1.701 -17.033 1.00 0.00 H new