USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 741 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 25 THR OG1 : rot 135:sc= 1.11 USER MOD Set 1.2: A 33 MET CE :methyl 149:sc= -0.336 (180deg=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 143:sc= 1.26 (180deg=0.507) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc=-0.00822 K(o=-0.0082,f=-0.88) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.52 K(o=0.52,f=-5.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0037 USER MOD Single : A 36 SER OG : rot -81:sc= -0.328! USER MOD Single : A 37 THR OG1 : rot -33:sc= 0.925 USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.14) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0269) USER MOD Single : A 44 TYR OH : rot 90:sc= -0.179 USER MOD Single : A 46 HIS : no HD1:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.0031) USER MOD Single : A 67 ASN : amide:sc= -0.0562 X(o=-0.056,f=0) USER MOD Single : A 71 THR OG1 : rot 76:sc= 0.365 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0.216 (180deg=0.0175) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= 0.895 (180deg=0.187) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.086) USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= -0.0537 (180deg=-0.41) USER MOD Single : A 91 ASN : amide:sc= -4.04! K(o=-4!,f=-0.83) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00622 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.62) USER MOD Single : A 104 LYS NZ :NH3+ -177:sc= 2.23 (180deg=2.14) USER MOD Single : A 110 HIS : no HD1:sc= -0.174 X(o=-0.17,f=0.028) USER MOD ----------------------------------------------------------------- ATOM 163 N ALA A 12 12.378 3.087 0.238 1.00 0.00 N ATOM 164 CA ALA A 12 11.399 2.272 -0.470 1.00 0.00 C ATOM 165 C ALA A 12 9.978 2.621 -0.039 1.00 0.00 C ATOM 166 O ALA A 12 9.060 2.658 -0.857 1.00 0.00 O ATOM 167 CB ALA A 12 11.676 0.799 -0.231 1.00 0.00 C ATOM 0 HA ALA A 12 11.488 2.482 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.939 0.199 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.674 0.553 -0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.614 0.586 0.836 1.00 0.00 H new ATOM 173 N ILE A 13 9.820 2.906 1.248 1.00 0.00 N ATOM 174 CA ILE A 13 8.512 3.194 1.819 1.00 0.00 C ATOM 175 C ILE A 13 7.937 4.485 1.247 1.00 0.00 C ATOM 176 O ILE A 13 6.762 4.542 0.889 1.00 0.00 O ATOM 177 CB ILE A 13 8.591 3.305 3.359 1.00 0.00 C ATOM 178 CG1 ILE A 13 9.182 2.022 3.960 1.00 0.00 C ATOM 179 CG2 ILE A 13 7.218 3.589 3.955 1.00 0.00 C ATOM 180 CD1 ILE A 13 8.394 0.770 3.627 1.00 0.00 C ATOM 0 H ILE A 13 10.587 2.944 1.919 1.00 0.00 H new ATOM 0 HA ILE A 13 7.854 2.366 1.556 1.00 0.00 H new ATOM 0 HB ILE A 13 9.247 4.139 3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.205 1.902 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.234 2.130 5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.300 3.663 5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.835 4.528 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.535 2.780 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.873 -0.094 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.378 0.867 4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.364 0.636 2.546 1.00 0.00 H new ATOM 192 N GLU A 14 8.779 5.506 1.131 1.00 0.00 N ATOM 193 CA GLU A 14 8.333 6.813 0.662 1.00 0.00 C ATOM 194 C GLU A 14 7.843 6.756 -0.779 1.00 0.00 C ATOM 195 O GLU A 14 6.920 7.477 -1.148 1.00 0.00 O ATOM 196 CB GLU A 14 9.452 7.840 0.800 1.00 0.00 C ATOM 197 CG GLU A 14 9.828 8.109 2.244 1.00 0.00 C ATOM 198 CD GLU A 14 11.045 8.991 2.375 1.00 0.00 C ATOM 199 OE1 GLU A 14 12.155 8.535 2.015 1.00 0.00 O ATOM 200 OE2 GLU A 14 10.901 10.140 2.843 1.00 0.00 O ATOM 0 H GLU A 14 9.773 5.454 1.355 1.00 0.00 H new ATOM 0 HA GLU A 14 7.493 7.117 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.331 7.488 0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.142 8.773 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.987 8.580 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.015 7.161 2.749 1.00 0.00 H new ATOM 207 N LYS A 15 8.447 5.895 -1.592 1.00 0.00 N ATOM 208 CA LYS A 15 8.008 5.743 -2.975 1.00 0.00 C ATOM 209 C LYS A 15 6.753 4.888 -3.063 1.00 0.00 C ATOM 210 O LYS A 15 5.916 5.094 -3.939 1.00 0.00 O ATOM 211 CB LYS A 15 9.123 5.178 -3.856 1.00 0.00 C ATOM 212 CG LYS A 15 9.992 6.267 -4.464 1.00 0.00 C ATOM 213 CD LYS A 15 9.176 7.147 -5.404 1.00 0.00 C ATOM 214 CE LYS A 15 9.886 8.450 -5.739 1.00 0.00 C ATOM 215 NZ LYS A 15 9.068 9.313 -6.635 1.00 0.00 N ATOM 0 H LYS A 15 9.230 5.300 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 15 7.762 6.736 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.746 4.509 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.683 4.580 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.426 6.877 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.821 5.815 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.972 6.600 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.212 7.369 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.108 8.990 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.840 8.231 -6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.197 10.310 -6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.370 9.175 -7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.064 9.057 -6.542 1.00 0.00 H new ATOM 229 N ALA A 16 6.610 3.944 -2.143 1.00 0.00 N ATOM 230 CA ALA A 16 5.373 3.184 -2.035 1.00 0.00 C ATOM 231 C ALA A 16 4.227 4.125 -1.688 1.00 0.00 C ATOM 232 O ALA A 16 3.136 4.038 -2.251 1.00 0.00 O ATOM 233 CB ALA A 16 5.502 2.086 -0.988 1.00 0.00 C ATOM 0 H ALA A 16 7.329 3.688 -1.466 1.00 0.00 H new ATOM 0 HA ALA A 16 5.166 2.707 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.566 1.532 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.307 1.407 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.726 2.532 -0.019 1.00 0.00 H new ATOM 239 N LEU A 17 4.499 5.051 -0.779 1.00 0.00 N ATOM 240 CA LEU A 17 3.520 6.055 -0.389 1.00 0.00 C ATOM 241 C LEU A 17 3.337 7.084 -1.505 1.00 0.00 C ATOM 242 O LEU A 17 2.277 7.683 -1.645 1.00 0.00 O ATOM 243 CB LEU A 17 3.967 6.748 0.897 1.00 0.00 C ATOM 244 CG LEU A 17 4.277 5.805 2.063 1.00 0.00 C ATOM 245 CD1 LEU A 17 4.800 6.582 3.257 1.00 0.00 C ATOM 246 CD2 LEU A 17 3.047 5.001 2.449 1.00 0.00 C ATOM 0 H LEU A 17 5.394 5.127 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 17 2.564 5.561 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.856 7.342 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.187 7.443 1.208 1.00 0.00 H new ATOM 0 HG LEU A 17 5.052 5.110 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.014 5.893 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.713 7.108 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.049 7.304 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.291 4.338 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.248 5.679 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.718 4.408 1.596 1.00 0.00 H new ATOM 258 N ASP A 18 4.387 7.268 -2.300 1.00 0.00 N ATOM 259 CA ASP A 18 4.354 8.172 -3.450 1.00 0.00 C ATOM 260 C ASP A 18 3.377 7.658 -4.506 1.00 0.00 C ATOM 261 O ASP A 18 2.840 8.423 -5.303 1.00 0.00 O ATOM 262 CB ASP A 18 5.770 8.308 -4.029 1.00 0.00 C ATOM 263 CG ASP A 18 5.862 9.239 -5.223 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.433 10.405 -5.116 1.00 0.00 O ATOM 265 OD2 ASP A 18 6.400 8.816 -6.269 1.00 0.00 O ATOM 0 H ASP A 18 5.282 6.798 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 18 4.008 9.155 -3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.438 8.670 -3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.128 7.321 -4.322 1.00 0.00 H new ATOM 270 N PHE A 19 3.155 6.351 -4.502 1.00 0.00 N ATOM 271 CA PHE A 19 2.146 5.739 -5.362 1.00 0.00 C ATOM 272 C PHE A 19 0.763 5.772 -4.706 1.00 0.00 C ATOM 273 O PHE A 19 -0.221 6.163 -5.329 1.00 0.00 O ATOM 274 CB PHE A 19 2.508 4.280 -5.654 1.00 0.00 C ATOM 275 CG PHE A 19 3.520 4.069 -6.749 1.00 0.00 C ATOM 276 CD1 PHE A 19 4.762 4.682 -6.711 1.00 0.00 C ATOM 277 CD2 PHE A 19 3.230 3.220 -7.806 1.00 0.00 C ATOM 278 CE1 PHE A 19 5.692 4.453 -7.706 1.00 0.00 C ATOM 279 CE2 PHE A 19 4.153 2.990 -8.805 1.00 0.00 C ATOM 280 CZ PHE A 19 5.386 3.605 -8.755 1.00 0.00 C ATOM 0 H PHE A 19 3.661 5.690 -3.912 1.00 0.00 H new ATOM 0 HA PHE A 19 2.119 6.313 -6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.890 3.829 -4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.596 3.744 -5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.005 5.346 -5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.268 2.732 -7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.657 4.936 -7.665 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.910 2.330 -9.624 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.112 3.425 -9.534 1.00 0.00 H new ATOM 290 N ILE A 20 0.707 5.357 -3.445 1.00 0.00 N ATOM 291 CA ILE A 20 -0.567 5.135 -2.757 1.00 0.00 C ATOM 292 C ILE A 20 -1.211 6.435 -2.264 1.00 0.00 C ATOM 293 O ILE A 20 -2.426 6.583 -2.325 1.00 0.00 O ATOM 294 CB ILE A 20 -0.379 4.172 -1.562 1.00 0.00 C ATOM 295 CG1 ILE A 20 0.180 2.829 -2.046 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.693 3.964 -0.820 1.00 0.00 C ATOM 297 CD1 ILE A 20 0.553 1.885 -0.923 1.00 0.00 C ATOM 0 H ILE A 20 1.530 5.166 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.239 4.691 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 20 0.334 4.620 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.560 2.346 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.060 3.013 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.535 3.283 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.054 4.921 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.431 3.539 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.941 0.956 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.316 2.347 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.329 1.670 -0.320 1.00 0.00 H new ATOM 309 N GLY A 21 -0.394 7.374 -1.794 1.00 0.00 N ATOM 310 CA GLY A 21 -0.909 8.587 -1.169 1.00 0.00 C ATOM 311 C GLY A 21 -1.746 9.464 -2.089 1.00 0.00 C ATOM 312 O GLY A 21 -2.396 10.401 -1.621 1.00 0.00 O ATOM 0 H GLY A 21 0.624 7.318 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.513 8.308 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.069 9.172 -0.795 1.00 0.00 H new ATOM 316 N GLY A 22 -1.735 9.174 -3.385 1.00 0.00 N ATOM 317 CA GLY A 22 -2.512 9.959 -4.326 1.00 0.00 C ATOM 318 C GLY A 22 -1.974 11.368 -4.461 1.00 0.00 C ATOM 319 O GLY A 22 -2.697 12.347 -4.250 1.00 0.00 O ATOM 0 H GLY A 22 -1.202 8.410 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.503 9.471 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.551 9.996 -3.998 1.00 0.00 H new ATOM 323 N MET A 23 -0.707 11.470 -4.832 1.00 0.00 N ATOM 324 CA MET A 23 -0.020 12.751 -4.899 1.00 0.00 C ATOM 325 C MET A 23 -0.531 13.587 -6.068 1.00 0.00 C ATOM 326 O MET A 23 -0.043 13.467 -7.196 1.00 0.00 O ATOM 327 CB MET A 23 1.495 12.541 -5.014 1.00 0.00 C ATOM 328 CG MET A 23 2.096 11.789 -3.837 1.00 0.00 C ATOM 329 SD MET A 23 1.931 12.687 -2.283 1.00 0.00 S ATOM 330 CE MET A 23 2.574 11.477 -1.126 1.00 0.00 C ATOM 0 H MET A 23 -0.128 10.672 -5.094 1.00 0.00 H new ATOM 0 HA MET A 23 -0.229 13.295 -3.978 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.709 11.993 -5.932 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.982 13.512 -5.101 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.610 10.818 -3.745 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.151 11.599 -4.032 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.538 11.885 -0.116 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.969 10.571 -1.173 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.606 11.238 -1.385 1.00 0.00 H new ATOM 340 N ASN A 24 -1.543 14.412 -5.781 1.00 0.00 N ATOM 341 CA ASN A 24 -2.132 15.328 -6.760 1.00 0.00 C ATOM 342 C ASN A 24 -2.898 14.578 -7.843 1.00 0.00 C ATOM 343 O ASN A 24 -3.208 15.133 -8.894 1.00 0.00 O ATOM 344 CB ASN A 24 -1.055 16.220 -7.388 1.00 0.00 C ATOM 345 CG ASN A 24 -0.475 17.217 -6.398 1.00 0.00 C ATOM 346 OD1 ASN A 24 -1.170 17.695 -5.501 1.00 0.00 O ATOM 347 ND2 ASN A 24 0.806 17.527 -6.544 1.00 0.00 N ATOM 0 H ASN A 24 -1.977 14.463 -4.860 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.842 15.960 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.253 15.594 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.482 16.759 -8.234 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.249 18.183 -5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.349 17.110 -7.300 1.00 0.00 H new ATOM 354 N THR A 25 -3.216 13.320 -7.576 1.00 0.00 N ATOM 355 CA THR A 25 -4.011 12.525 -8.497 1.00 0.00 C ATOM 356 C THR A 25 -5.471 12.481 -8.047 1.00 0.00 C ATOM 357 O THR A 25 -6.316 11.870 -8.703 1.00 0.00 O ATOM 358 CB THR A 25 -3.460 11.092 -8.600 1.00 0.00 C ATOM 359 OG1 THR A 25 -3.307 10.535 -7.291 1.00 0.00 O ATOM 360 CG2 THR A 25 -2.119 11.076 -9.321 1.00 0.00 C ATOM 0 H THR A 25 -2.935 12.828 -6.728 1.00 0.00 H new ATOM 0 HA THR A 25 -3.954 12.996 -9.478 1.00 0.00 H new ATOM 0 HB THR A 25 -4.169 10.494 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.654 9.619 -7.283 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.750 10.052 -9.381 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.242 11.477 -10.327 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.403 11.688 -8.772 1.00 0.00 H new ATOM 368 N SER A 26 -5.737 13.147 -6.918 1.00 0.00 N ATOM 369 CA SER A 26 -7.066 13.210 -6.313 1.00 0.00 C ATOM 370 C SER A 26 -7.456 11.860 -5.707 1.00 0.00 C ATOM 371 O SER A 26 -7.488 10.833 -6.388 1.00 0.00 O ATOM 372 CB SER A 26 -8.118 13.678 -7.329 1.00 0.00 C ATOM 373 OG SER A 26 -9.378 13.906 -6.708 1.00 0.00 O ATOM 0 H SER A 26 -5.027 13.661 -6.396 1.00 0.00 H new ATOM 0 HA SER A 26 -7.030 13.945 -5.509 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.778 14.595 -7.811 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.228 12.928 -8.112 1.00 0.00 H new ATOM 0 HG SER A 26 -10.025 14.204 -7.381 1.00 0.00 H new ATOM 430 N HIS A 31 -11.558 7.688 -6.712 1.00 0.00 N ATOM 431 CA HIS A 31 -11.240 6.273 -6.527 1.00 0.00 C ATOM 432 C HIS A 31 -10.742 5.635 -7.829 1.00 0.00 C ATOM 433 O HIS A 31 -10.811 4.421 -7.995 1.00 0.00 O ATOM 434 CB HIS A 31 -12.453 5.507 -5.982 1.00 0.00 C ATOM 435 CG HIS A 31 -12.706 5.698 -4.510 1.00 0.00 C ATOM 436 ND1 HIS A 31 -13.105 4.669 -3.690 1.00 0.00 N ATOM 437 CD2 HIS A 31 -12.651 6.800 -3.714 1.00 0.00 C ATOM 438 CE1 HIS A 31 -13.294 5.121 -2.468 1.00 0.00 C ATOM 439 NE2 HIS A 31 -13.028 6.412 -2.450 1.00 0.00 N ATOM 0 HA HIS A 31 -10.435 6.211 -5.795 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -13.340 5.819 -6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.313 4.444 -6.178 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -13.235 3.701 -3.984 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.364 7.796 -4.019 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.614 4.532 -1.621 1.00 0.00 H new ATOM 448 N SER A 32 -10.203 6.462 -8.728 1.00 0.00 N ATOM 449 CA SER A 32 -9.702 5.988 -10.016 1.00 0.00 C ATOM 450 C SER A 32 -8.483 5.098 -9.810 1.00 0.00 C ATOM 451 O SER A 32 -8.584 3.874 -9.818 1.00 0.00 O ATOM 452 CB SER A 32 -9.324 7.185 -10.882 1.00 0.00 C ATOM 453 OG SER A 32 -10.324 8.189 -10.810 1.00 0.00 O ATOM 0 H SER A 32 -10.103 7.467 -8.585 1.00 0.00 H new ATOM 0 HA SER A 32 -10.481 5.408 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.368 7.592 -10.552 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.195 6.866 -11.916 1.00 0.00 H new ATOM 0 HG SER A 32 -10.064 8.950 -11.370 1.00 0.00 H new ATOM 459 N MET A 33 -7.336 5.726 -9.605 1.00 0.00 N ATOM 460 CA MET A 33 -6.147 5.014 -9.174 1.00 0.00 C ATOM 461 C MET A 33 -6.100 5.078 -7.661 1.00 0.00 C ATOM 462 O MET A 33 -5.401 4.315 -6.995 1.00 0.00 O ATOM 463 CB MET A 33 -4.877 5.605 -9.813 1.00 0.00 C ATOM 464 CG MET A 33 -4.773 7.129 -9.777 1.00 0.00 C ATOM 465 SD MET A 33 -4.569 7.810 -8.116 1.00 0.00 S ATOM 466 CE MET A 33 -3.164 6.866 -7.536 1.00 0.00 C ATOM 0 H MET A 33 -7.205 6.730 -9.731 1.00 0.00 H new ATOM 0 HA MET A 33 -6.189 3.974 -9.499 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.007 5.186 -9.306 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.828 5.279 -10.852 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.929 7.440 -10.393 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.670 7.555 -10.226 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.582 7.470 -6.840 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.514 5.966 -7.031 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.539 6.586 -8.384 1.00 0.00 H new ATOM 476 N ASP A 34 -6.903 6.007 -7.158 1.00 0.00 N ATOM 477 CA ASP A 34 -7.120 6.232 -5.737 1.00 0.00 C ATOM 478 C ASP A 34 -7.483 4.935 -5.019 1.00 0.00 C ATOM 479 O ASP A 34 -6.926 4.619 -3.975 1.00 0.00 O ATOM 480 CB ASP A 34 -8.224 7.294 -5.615 1.00 0.00 C ATOM 481 CG ASP A 34 -8.817 7.467 -4.231 1.00 0.00 C ATOM 482 OD1 ASP A 34 -8.113 7.287 -3.237 1.00 0.00 O ATOM 483 OD2 ASP A 34 -10.012 7.833 -4.155 1.00 0.00 O ATOM 0 H ASP A 34 -7.438 6.644 -7.748 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.209 6.586 -5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.819 8.252 -5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.028 7.038 -6.305 1.00 0.00 H new ATOM 488 N GLU A 35 -8.387 4.160 -5.599 1.00 0.00 N ATOM 489 CA GLU A 35 -8.753 2.886 -5.002 1.00 0.00 C ATOM 490 C GLU A 35 -8.027 1.737 -5.702 1.00 0.00 C ATOM 491 O GLU A 35 -7.552 0.803 -5.055 1.00 0.00 O ATOM 492 CB GLU A 35 -10.264 2.665 -5.069 1.00 0.00 C ATOM 493 CG GLU A 35 -10.743 1.550 -4.153 1.00 0.00 C ATOM 494 CD GLU A 35 -12.209 1.209 -4.333 1.00 0.00 C ATOM 495 OE1 GLU A 35 -13.065 2.092 -4.115 1.00 0.00 O ATOM 496 OE2 GLU A 35 -12.509 0.044 -4.658 1.00 0.00 O ATOM 0 H GLU A 35 -8.873 4.386 -6.467 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.452 2.909 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.773 3.591 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.546 2.431 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.145 0.657 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.570 1.842 -3.117 1.00 0.00 H new ATOM 503 N SER A 36 -7.928 1.830 -7.025 1.00 0.00 N ATOM 504 CA SER A 36 -7.347 0.762 -7.839 1.00 0.00 C ATOM 505 C SER A 36 -5.882 0.506 -7.484 1.00 0.00 C ATOM 506 O SER A 36 -5.525 -0.585 -7.026 1.00 0.00 O ATOM 507 CB SER A 36 -7.471 1.114 -9.326 1.00 0.00 C ATOM 508 OG SER A 36 -6.838 0.147 -10.145 1.00 0.00 O ATOM 0 H SER A 36 -8.244 2.638 -7.561 1.00 0.00 H new ATOM 0 HA SER A 36 -7.902 -0.153 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.524 1.188 -9.597 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.026 2.093 -9.507 1.00 0.00 H new ATOM 0 HG SER A 36 -5.873 0.318 -10.167 1.00 0.00 H new ATOM 514 N THR A 37 -5.043 1.516 -7.677 1.00 0.00 N ATOM 515 CA THR A 37 -3.606 1.351 -7.523 1.00 0.00 C ATOM 516 C THR A 37 -3.238 1.117 -6.060 1.00 0.00 C ATOM 517 O THR A 37 -2.336 0.330 -5.754 1.00 0.00 O ATOM 518 CB THR A 37 -2.851 2.579 -8.066 1.00 0.00 C ATOM 519 OG1 THR A 37 -3.340 2.901 -9.376 1.00 0.00 O ATOM 520 CG2 THR A 37 -1.352 2.318 -8.137 1.00 0.00 C ATOM 0 H THR A 37 -5.334 2.457 -7.940 1.00 0.00 H new ATOM 0 HA THR A 37 -3.309 0.476 -8.101 1.00 0.00 H new ATOM 0 HB THR A 37 -3.023 3.413 -7.386 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.599 2.078 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.847 3.203 -8.524 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.975 2.091 -7.140 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.161 1.473 -8.798 1.00 0.00 H new ATOM 528 N ALA A 38 -3.953 1.782 -5.162 1.00 0.00 N ATOM 529 CA ALA A 38 -3.716 1.631 -3.734 1.00 0.00 C ATOM 530 C ALA A 38 -3.903 0.175 -3.305 1.00 0.00 C ATOM 531 O ALA A 38 -3.023 -0.418 -2.678 1.00 0.00 O ATOM 532 CB ALA A 38 -4.644 2.540 -2.948 1.00 0.00 C ATOM 0 H ALA A 38 -4.703 2.432 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.686 1.918 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.456 2.417 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.463 3.577 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.680 2.279 -3.166 1.00 0.00 H new ATOM 538 N LYS A 39 -5.047 -0.401 -3.669 1.00 0.00 N ATOM 539 CA LYS A 39 -5.342 -1.795 -3.349 1.00 0.00 C ATOM 540 C LYS A 39 -4.351 -2.735 -4.025 1.00 0.00 C ATOM 541 O LYS A 39 -3.868 -3.682 -3.407 1.00 0.00 O ATOM 542 CB LYS A 39 -6.767 -2.163 -3.776 1.00 0.00 C ATOM 543 CG LYS A 39 -7.856 -1.593 -2.883 1.00 0.00 C ATOM 544 CD LYS A 39 -9.240 -1.936 -3.415 1.00 0.00 C ATOM 545 CE LYS A 39 -10.340 -1.543 -2.440 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.699 -1.829 -2.982 1.00 0.00 N ATOM 0 H LYS A 39 -5.785 0.077 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.253 -1.907 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.930 -1.813 -4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.859 -3.249 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.744 -1.986 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.747 -0.510 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.399 -1.427 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.297 -3.006 -3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.203 -2.083 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.258 -0.481 -2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.418 -1.530 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.835 -1.308 -3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.794 -2.849 -3.161 1.00 0.00 H new ATOM 560 N GLY A 40 -4.050 -2.456 -5.289 1.00 0.00 N ATOM 561 CA GLY A 40 -3.180 -3.319 -6.069 1.00 0.00 C ATOM 562 C GLY A 40 -1.804 -3.500 -5.455 1.00 0.00 C ATOM 563 O GLY A 40 -1.306 -4.623 -5.357 1.00 0.00 O ATOM 0 H GLY A 40 -4.397 -1.639 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.652 -4.295 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.071 -2.903 -7.071 1.00 0.00 H new ATOM 567 N ILE A 41 -1.194 -2.400 -5.034 1.00 0.00 N ATOM 568 CA ILE A 41 0.148 -2.444 -4.468 1.00 0.00 C ATOM 569 C ILE A 41 0.157 -3.145 -3.110 1.00 0.00 C ATOM 570 O ILE A 41 0.984 -4.029 -2.872 1.00 0.00 O ATOM 571 CB ILE A 41 0.754 -1.028 -4.341 1.00 0.00 C ATOM 572 CG1 ILE A 41 1.003 -0.448 -5.738 1.00 0.00 C ATOM 573 CG2 ILE A 41 2.046 -1.055 -3.529 1.00 0.00 C ATOM 574 CD1 ILE A 41 1.643 0.920 -5.727 1.00 0.00 C ATOM 0 H ILE A 41 -1.606 -1.468 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 41 0.766 -3.020 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 41 0.046 -0.390 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.641 -1.133 -6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.054 -0.390 -6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.451 -0.046 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.839 -1.437 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.772 -1.702 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.787 1.263 -6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.996 1.620 -5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.608 0.866 -5.224 1.00 0.00 H new ATOM 586 N LEU A 42 -0.775 -2.771 -2.235 1.00 0.00 N ATOM 587 CA LEU A 42 -0.861 -3.375 -0.902 1.00 0.00 C ATOM 588 C LEU A 42 -1.075 -4.883 -1.002 1.00 0.00 C ATOM 589 O LEU A 42 -0.478 -5.668 -0.258 1.00 0.00 O ATOM 590 CB LEU A 42 -2.010 -2.753 -0.108 1.00 0.00 C ATOM 591 CG LEU A 42 -1.874 -1.255 0.181 1.00 0.00 C ATOM 592 CD1 LEU A 42 -3.105 -0.743 0.913 1.00 0.00 C ATOM 593 CD2 LEU A 42 -0.615 -0.985 0.995 1.00 0.00 C ATOM 0 H LEU A 42 -1.479 -2.057 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 42 0.081 -3.184 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.938 -2.917 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.102 -3.282 0.841 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.792 -0.723 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.993 0.323 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.989 -0.907 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.216 -1.278 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.532 0.084 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.670 -1.526 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.259 -1.320 0.436 1.00 0.00 H new ATOM 605 N LYS A 43 -1.923 -5.270 -1.943 1.00 0.00 N ATOM 606 CA LYS A 43 -2.269 -6.665 -2.165 1.00 0.00 C ATOM 607 C LYS A 43 -1.040 -7.473 -2.583 1.00 0.00 C ATOM 608 O LYS A 43 -0.823 -8.595 -2.109 1.00 0.00 O ATOM 609 CB LYS A 43 -3.355 -6.728 -3.241 1.00 0.00 C ATOM 610 CG LYS A 43 -4.011 -8.083 -3.409 1.00 0.00 C ATOM 611 CD LYS A 43 -5.192 -7.985 -4.363 1.00 0.00 C ATOM 612 CE LYS A 43 -5.919 -9.312 -4.494 1.00 0.00 C ATOM 613 NZ LYS A 43 -5.089 -10.337 -5.180 1.00 0.00 N ATOM 0 H LYS A 43 -2.392 -4.622 -2.576 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.642 -7.103 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.126 -5.995 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.918 -6.432 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.285 -8.801 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.347 -8.454 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.886 -7.224 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.842 -7.663 -5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.195 -9.673 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.845 -9.165 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.652 -11.200 -5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.775 -9.970 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.258 -10.559 -4.595 1.00 0.00 H new ATOM 627 N TYR A 44 -0.225 -6.877 -3.447 1.00 0.00 N ATOM 628 CA TYR A 44 0.960 -7.538 -3.975 1.00 0.00 C ATOM 629 C TYR A 44 2.065 -7.637 -2.921 1.00 0.00 C ATOM 630 O TYR A 44 2.751 -8.654 -2.829 1.00 0.00 O ATOM 631 CB TYR A 44 1.467 -6.787 -5.208 1.00 0.00 C ATOM 632 CG TYR A 44 2.721 -7.375 -5.819 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.707 -8.634 -6.413 1.00 0.00 C ATOM 634 CD2 TYR A 44 3.915 -6.667 -5.811 1.00 0.00 C ATOM 635 CE1 TYR A 44 3.852 -9.169 -6.974 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.063 -7.196 -6.372 1.00 0.00 C ATOM 637 CZ TYR A 44 5.024 -8.446 -6.953 1.00 0.00 C ATOM 638 OH TYR A 44 6.164 -8.978 -7.513 1.00 0.00 O ATOM 0 H TYR A 44 -0.367 -5.930 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 44 0.684 -8.554 -4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.680 -6.775 -5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.661 -5.750 -4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.788 -9.201 -6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.948 -5.687 -5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.827 -10.149 -7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.985 -6.633 -6.355 1.00 0.00 H new ATOM 0 HH TYR A 44 6.214 -8.724 -8.458 1.00 0.00 H new ATOM 648 N LEU A 45 2.231 -6.581 -2.131 1.00 0.00 N ATOM 649 CA LEU A 45 3.261 -6.559 -1.097 1.00 0.00 C ATOM 650 C LEU A 45 3.054 -7.696 -0.102 1.00 0.00 C ATOM 651 O LEU A 45 3.994 -8.419 0.243 1.00 0.00 O ATOM 652 CB LEU A 45 3.263 -5.211 -0.372 1.00 0.00 C ATOM 653 CG LEU A 45 3.638 -4.008 -1.238 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.565 -2.727 -0.425 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.032 -4.187 -1.825 1.00 0.00 C ATOM 0 H LEU A 45 1.668 -5.732 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 45 4.229 -6.697 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.272 -5.041 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.959 -5.267 0.465 1.00 0.00 H new ATOM 0 HG LEU A 45 2.925 -3.938 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.835 -1.880 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.551 -2.592 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.257 -2.789 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.282 -3.322 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.758 -4.281 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.055 -5.087 -2.440 1.00 0.00 H new ATOM 667 N HIS A 46 1.813 -7.868 0.342 1.00 0.00 N ATOM 668 CA HIS A 46 1.477 -8.946 1.260 1.00 0.00 C ATOM 669 C HIS A 46 1.696 -10.298 0.595 1.00 0.00 C ATOM 670 O HIS A 46 2.134 -11.248 1.242 1.00 0.00 O ATOM 671 CB HIS A 46 0.027 -8.824 1.732 1.00 0.00 C ATOM 672 CG HIS A 46 -0.355 -9.843 2.762 1.00 0.00 C ATOM 673 ND1 HIS A 46 -1.156 -10.929 2.489 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.040 -9.932 4.074 1.00 0.00 C ATOM 675 CE1 HIS A 46 -1.315 -11.644 3.590 1.00 0.00 C ATOM 676 NE2 HIS A 46 -0.646 -11.059 4.564 1.00 0.00 N ATOM 0 H HIS A 46 1.026 -7.275 0.080 1.00 0.00 H new ATOM 0 HA HIS A 46 2.132 -8.869 2.128 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.130 -7.827 2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.636 -8.922 0.872 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.575 -9.242 4.632 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.894 -12.552 3.677 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.589 -11.392 5.527 1.00 0.00 H new ATOM 685 N ASP A 47 1.400 -10.369 -0.697 1.00 0.00 N ATOM 686 CA ASP A 47 1.580 -11.600 -1.462 1.00 0.00 C ATOM 687 C ASP A 47 3.047 -12.019 -1.469 1.00 0.00 C ATOM 688 O ASP A 47 3.364 -13.198 -1.319 1.00 0.00 O ATOM 689 CB ASP A 47 1.075 -11.415 -2.895 1.00 0.00 C ATOM 690 CG ASP A 47 1.237 -12.665 -3.737 1.00 0.00 C ATOM 691 OD1 ASP A 47 0.383 -13.571 -3.631 1.00 0.00 O ATOM 692 OD2 ASP A 47 2.206 -12.742 -4.517 1.00 0.00 O ATOM 0 H ASP A 47 1.033 -9.587 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 47 0.998 -12.389 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.023 -11.131 -2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.616 -10.593 -3.364 1.00 0.00 H new ATOM 697 N LEU A 48 3.934 -11.038 -1.629 1.00 0.00 N ATOM 698 CA LEU A 48 5.371 -11.283 -1.580 1.00 0.00 C ATOM 699 C LEU A 48 5.792 -11.758 -0.195 1.00 0.00 C ATOM 700 O LEU A 48 6.660 -12.621 -0.060 1.00 0.00 O ATOM 701 CB LEU A 48 6.153 -10.017 -1.941 1.00 0.00 C ATOM 702 CG LEU A 48 5.989 -9.528 -3.377 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.789 -8.252 -3.587 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.427 -10.609 -4.356 1.00 0.00 C ATOM 0 H LEU A 48 3.680 -10.064 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 48 5.597 -12.061 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.846 -9.217 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.212 -10.201 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 48 4.937 -9.310 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.666 -7.910 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.432 -7.482 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.844 -8.448 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.305 -10.247 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.474 -10.855 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.816 -11.500 -4.212 1.00 0.00 H new ATOM 716 N GLY A 49 5.170 -11.187 0.828 1.00 0.00 N ATOM 717 CA GLY A 49 5.486 -11.562 2.190 1.00 0.00 C ATOM 718 C GLY A 49 5.944 -10.378 3.012 1.00 0.00 C ATOM 719 O GLY A 49 6.303 -10.528 4.178 1.00 0.00 O ATOM 0 H GLY A 49 4.451 -10.469 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.608 -12.009 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.266 -12.323 2.185 1.00 0.00 H new ATOM 723 N VAL A 50 5.938 -9.197 2.406 1.00 0.00 N ATOM 724 CA VAL A 50 6.321 -7.979 3.104 1.00 0.00 C ATOM 725 C VAL A 50 5.118 -7.047 3.216 1.00 0.00 C ATOM 726 O VAL A 50 4.822 -6.279 2.300 1.00 0.00 O ATOM 727 CB VAL A 50 7.482 -7.252 2.387 1.00 0.00 C ATOM 728 CG1 VAL A 50 7.938 -6.039 3.185 1.00 0.00 C ATOM 729 CG2 VAL A 50 8.648 -8.202 2.153 1.00 0.00 C ATOM 0 H VAL A 50 5.671 -9.058 1.431 1.00 0.00 H new ATOM 0 HA VAL A 50 6.665 -8.258 4.100 1.00 0.00 H new ATOM 0 HB VAL A 50 7.117 -6.907 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.755 -5.544 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.106 -5.344 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.280 -6.359 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.454 -7.671 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.007 -8.580 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.319 -9.036 1.534 1.00 0.00 H new ATOM 739 N PRO A 51 4.384 -7.130 4.333 1.00 0.00 N ATOM 740 CA PRO A 51 3.185 -6.337 4.552 1.00 0.00 C ATOM 741 C PRO A 51 3.465 -5.010 5.256 1.00 0.00 C ATOM 742 O PRO A 51 4.476 -4.856 5.942 1.00 0.00 O ATOM 743 CB PRO A 51 2.358 -7.255 5.448 1.00 0.00 C ATOM 744 CG PRO A 51 3.367 -8.000 6.265 1.00 0.00 C ATOM 745 CD PRO A 51 4.654 -8.024 5.472 1.00 0.00 C ATOM 0 HA PRO A 51 2.701 -6.048 3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.680 -6.684 6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.745 -7.937 4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.518 -7.513 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.023 -9.014 6.471 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.496 -7.671 6.067 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.900 -9.032 5.139 1.00 0.00 H new ATOM 753 N VAL A 52 2.561 -4.059 5.075 1.00 0.00 N ATOM 754 CA VAL A 52 2.654 -2.777 5.752 1.00 0.00 C ATOM 755 C VAL A 52 1.710 -2.751 6.947 1.00 0.00 C ATOM 756 O VAL A 52 0.609 -3.304 6.892 1.00 0.00 O ATOM 757 CB VAL A 52 2.331 -1.600 4.802 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.372 -1.517 3.695 1.00 0.00 C ATOM 759 CG2 VAL A 52 0.933 -1.739 4.214 1.00 0.00 C ATOM 0 H VAL A 52 1.751 -4.153 4.462 1.00 0.00 H new ATOM 0 HA VAL A 52 3.682 -2.657 6.093 1.00 0.00 H new ATOM 0 HB VAL A 52 2.360 -0.676 5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.133 -0.685 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.358 -1.361 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.371 -2.446 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.732 -0.898 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.866 -2.670 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.199 -1.748 5.020 1.00 0.00 H new ATOM 769 N SER A 53 2.154 -2.141 8.032 1.00 0.00 N ATOM 770 CA SER A 53 1.352 -2.056 9.238 1.00 0.00 C ATOM 771 C SER A 53 0.314 -0.940 9.115 1.00 0.00 C ATOM 772 O SER A 53 0.668 0.215 8.868 1.00 0.00 O ATOM 773 CB SER A 53 2.256 -1.807 10.442 1.00 0.00 C ATOM 774 OG SER A 53 3.342 -2.719 10.463 1.00 0.00 O ATOM 0 H SER A 53 3.069 -1.696 8.102 1.00 0.00 H new ATOM 0 HA SER A 53 0.825 -3.000 9.377 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.635 -0.786 10.411 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.678 -1.904 11.361 1.00 0.00 H new ATOM 0 HG SER A 53 3.907 -2.537 11.243 1.00 0.00 H new ATOM 780 N PRO A 54 -0.979 -1.273 9.282 1.00 0.00 N ATOM 781 CA PRO A 54 -2.078 -0.302 9.175 1.00 0.00 C ATOM 782 C PRO A 54 -1.903 0.883 10.126 1.00 0.00 C ATOM 783 O PRO A 54 -2.212 2.023 9.773 1.00 0.00 O ATOM 784 CB PRO A 54 -3.320 -1.114 9.550 1.00 0.00 C ATOM 785 CG PRO A 54 -2.941 -2.534 9.296 1.00 0.00 C ATOM 786 CD PRO A 54 -1.472 -2.630 9.587 1.00 0.00 C ATOM 0 HA PRO A 54 -2.131 0.139 8.180 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.593 -0.959 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.180 -0.821 8.948 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.510 -3.210 9.935 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.153 -2.816 8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.284 -2.903 10.625 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.987 -3.384 8.967 1.00 0.00 H new ATOM 794 N GLU A 55 -1.404 0.602 11.327 1.00 0.00 N ATOM 795 CA GLU A 55 -1.097 1.639 12.312 1.00 0.00 C ATOM 796 C GLU A 55 -0.203 2.719 11.706 1.00 0.00 C ATOM 797 O GLU A 55 -0.499 3.914 11.790 1.00 0.00 O ATOM 798 CB GLU A 55 -0.392 1.016 13.520 1.00 0.00 C ATOM 799 CG GLU A 55 -0.042 2.017 14.609 1.00 0.00 C ATOM 800 CD GLU A 55 0.723 1.384 15.750 1.00 0.00 C ATOM 801 OE1 GLU A 55 1.939 1.149 15.597 1.00 0.00 O ATOM 802 OE2 GLU A 55 0.110 1.112 16.806 1.00 0.00 O ATOM 0 H GLU A 55 -1.201 -0.346 11.645 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.034 2.097 12.627 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.032 0.242 13.943 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.521 0.526 13.183 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.553 2.824 14.180 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.958 2.466 14.994 1.00 0.00 H new ATOM 809 N VAL A 56 0.880 2.281 11.082 1.00 0.00 N ATOM 810 CA VAL A 56 1.839 3.186 10.474 1.00 0.00 C ATOM 811 C VAL A 56 1.189 3.956 9.328 1.00 0.00 C ATOM 812 O VAL A 56 1.476 5.131 9.113 1.00 0.00 O ATOM 813 CB VAL A 56 3.074 2.424 9.953 1.00 0.00 C ATOM 814 CG1 VAL A 56 4.129 3.391 9.453 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.644 1.520 11.037 1.00 0.00 C ATOM 0 H VAL A 56 1.117 1.294 10.984 1.00 0.00 H new ATOM 0 HA VAL A 56 2.166 3.888 11.241 1.00 0.00 H new ATOM 0 HB VAL A 56 2.761 1.799 9.117 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.992 2.832 9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.717 3.991 8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.438 4.046 10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.515 0.991 10.649 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.938 2.123 11.896 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.887 0.797 11.343 1.00 0.00 H new ATOM 825 N VAL A 57 0.296 3.287 8.612 1.00 0.00 N ATOM 826 CA VAL A 57 -0.431 3.910 7.514 1.00 0.00 C ATOM 827 C VAL A 57 -1.329 5.035 8.029 1.00 0.00 C ATOM 828 O VAL A 57 -1.431 6.087 7.403 1.00 0.00 O ATOM 829 CB VAL A 57 -1.282 2.878 6.744 1.00 0.00 C ATOM 830 CG1 VAL A 57 -2.048 3.533 5.606 1.00 0.00 C ATOM 831 CG2 VAL A 57 -0.409 1.751 6.216 1.00 0.00 C ATOM 0 H VAL A 57 0.057 2.309 8.773 1.00 0.00 H new ATOM 0 HA VAL A 57 0.308 4.327 6.830 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.008 2.460 7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.638 2.780 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.712 4.299 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.345 3.991 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.028 1.034 5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.345 2.159 5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.083 1.250 7.050 1.00 0.00 H new ATOM 841 N VAL A 58 -1.968 4.812 9.175 1.00 0.00 N ATOM 842 CA VAL A 58 -2.808 5.836 9.792 1.00 0.00 C ATOM 843 C VAL A 58 -1.974 7.060 10.159 1.00 0.00 C ATOM 844 O VAL A 58 -2.293 8.180 9.758 1.00 0.00 O ATOM 845 CB VAL A 58 -3.523 5.310 11.059 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.368 6.403 11.700 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.385 4.101 10.730 1.00 0.00 C ATOM 0 H VAL A 58 -1.921 3.935 9.694 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.566 6.111 9.059 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.757 5.005 11.772 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.860 6.008 12.589 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.728 7.240 11.981 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.121 6.745 10.990 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.878 3.748 11.636 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.138 4.381 9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.758 3.306 10.325 1.00 0.00 H new ATOM 857 N ALA A 59 -0.894 6.830 10.898 1.00 0.00 N ATOM 858 CA ALA A 59 0.000 7.906 11.317 1.00 0.00 C ATOM 859 C ALA A 59 0.551 8.657 10.109 1.00 0.00 C ATOM 860 O ALA A 59 0.595 9.890 10.090 1.00 0.00 O ATOM 861 CB ALA A 59 1.137 7.345 12.158 1.00 0.00 C ATOM 0 H ALA A 59 -0.615 5.904 11.221 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.571 8.611 11.922 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.797 8.156 12.465 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.728 6.856 13.042 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.701 6.621 11.570 1.00 0.00 H new ATOM 867 N ARG A 60 0.953 7.899 9.097 1.00 0.00 N ATOM 868 CA ARG A 60 1.475 8.470 7.865 1.00 0.00 C ATOM 869 C ARG A 60 0.398 9.281 7.149 1.00 0.00 C ATOM 870 O ARG A 60 0.656 10.389 6.679 1.00 0.00 O ATOM 871 CB ARG A 60 2.004 7.358 6.951 1.00 0.00 C ATOM 872 CG ARG A 60 2.452 7.840 5.581 1.00 0.00 C ATOM 873 CD ARG A 60 3.516 8.917 5.677 1.00 0.00 C ATOM 874 NE ARG A 60 4.749 8.440 6.299 1.00 0.00 N ATOM 875 CZ ARG A 60 5.959 8.889 5.972 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.102 9.780 4.994 1.00 0.00 N ATOM 877 NH2 ARG A 60 7.028 8.430 6.612 1.00 0.00 N ATOM 0 H ARG A 60 0.926 6.879 9.107 1.00 0.00 H new ATOM 0 HA ARG A 60 2.297 9.140 8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.843 6.866 7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.225 6.607 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.840 6.997 5.009 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.592 8.227 5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.739 9.291 4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.126 9.757 6.252 1.00 0.00 H new ATOM 0 HE ARG A 60 4.679 7.725 7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.283 10.122 4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.031 10.121 4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.921 7.736 7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.957 8.772 6.364 1.00 0.00 H new ATOM 891 N GLY A 61 -0.807 8.728 7.090 1.00 0.00 N ATOM 892 CA GLY A 61 -1.908 9.405 6.437 1.00 0.00 C ATOM 893 C GLY A 61 -2.228 10.735 7.079 1.00 0.00 C ATOM 894 O GLY A 61 -2.340 11.738 6.390 1.00 0.00 O ATOM 0 H GLY A 61 -1.041 7.817 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.663 9.561 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.792 8.768 6.467 1.00 0.00 H new ATOM 898 N GLU A 62 -2.344 10.750 8.402 1.00 0.00 N ATOM 899 CA GLU A 62 -2.633 11.986 9.128 1.00 0.00 C ATOM 900 C GLU A 62 -1.549 13.033 8.873 1.00 0.00 C ATOM 901 O GLU A 62 -1.821 14.234 8.829 1.00 0.00 O ATOM 902 CB GLU A 62 -2.737 11.713 10.629 1.00 0.00 C ATOM 903 CG GLU A 62 -3.778 10.667 10.996 1.00 0.00 C ATOM 904 CD GLU A 62 -3.875 10.457 12.492 1.00 0.00 C ATOM 905 OE1 GLU A 62 -2.925 9.900 13.086 1.00 0.00 O ATOM 906 OE2 GLU A 62 -4.900 10.853 13.085 1.00 0.00 O ATOM 0 H GLU A 62 -2.243 9.925 8.994 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.586 12.371 8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.764 11.387 10.997 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.976 12.645 11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.750 10.973 10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.527 9.722 10.514 1.00 0.00 H new ATOM 913 N GLN A 63 -0.320 12.561 8.697 1.00 0.00 N ATOM 914 CA GLN A 63 0.824 13.433 8.462 1.00 0.00 C ATOM 915 C GLN A 63 0.761 14.081 7.080 1.00 0.00 C ATOM 916 O GLN A 63 0.910 15.295 6.944 1.00 0.00 O ATOM 917 CB GLN A 63 2.118 12.628 8.604 1.00 0.00 C ATOM 918 CG GLN A 63 3.382 13.426 8.323 1.00 0.00 C ATOM 919 CD GLN A 63 4.640 12.588 8.451 1.00 0.00 C ATOM 920 OE1 GLN A 63 5.705 13.092 8.811 1.00 0.00 O ATOM 921 NE2 GLN A 63 4.532 11.305 8.146 1.00 0.00 N ATOM 0 H GLN A 63 -0.089 11.568 8.713 1.00 0.00 H new ATOM 0 HA GLN A 63 0.802 14.231 9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.173 12.225 9.615 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.080 11.777 7.924 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.328 13.843 7.317 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.438 14.267 9.014 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.632 10.925 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.348 10.696 8.205 1.00 0.00 H new ATOM 930 N GLU A 64 0.521 13.269 6.064 1.00 0.00 N ATOM 931 CA GLU A 64 0.574 13.735 4.681 1.00 0.00 C ATOM 932 C GLU A 64 -0.806 14.167 4.185 1.00 0.00 C ATOM 933 O GLU A 64 -0.957 14.637 3.057 1.00 0.00 O ATOM 934 CB GLU A 64 1.138 12.631 3.784 1.00 0.00 C ATOM 935 CG GLU A 64 2.473 12.091 4.267 1.00 0.00 C ATOM 936 CD GLU A 64 3.136 11.149 3.281 1.00 0.00 C ATOM 937 OE1 GLU A 64 2.417 10.434 2.556 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.387 11.100 3.261 1.00 0.00 O ATOM 0 H GLU A 64 0.287 12.282 6.167 1.00 0.00 H new ATOM 0 HA GLU A 64 1.229 14.605 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.420 11.813 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.255 13.018 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.144 12.927 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.324 11.569 5.212 1.00 0.00 H new ATOM 945 N GLY A 65 -1.805 13.982 5.027 1.00 0.00 N ATOM 946 CA GLY A 65 -3.157 14.358 4.687 1.00 0.00 C ATOM 947 C GLY A 65 -3.947 13.158 4.229 1.00 0.00 C ATOM 948 O GLY A 65 -4.837 12.687 4.934 1.00 0.00 O ATOM 0 H GLY A 65 -1.701 13.571 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.642 14.810 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.143 15.112 3.900 1.00 0.00 H new ATOM 952 N TRP A 66 -3.597 12.674 3.041 1.00 0.00 N ATOM 953 CA TRP A 66 -4.185 11.464 2.438 1.00 0.00 C ATOM 954 C TRP A 66 -5.713 11.507 2.294 1.00 0.00 C ATOM 955 O TRP A 66 -6.297 10.573 1.758 1.00 0.00 O ATOM 956 CB TRP A 66 -3.785 10.221 3.235 1.00 0.00 C ATOM 957 CG TRP A 66 -2.387 9.748 2.965 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.286 10.517 2.715 1.00 0.00 C ATOM 959 CD2 TRP A 66 -1.944 8.388 2.930 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.188 9.713 2.516 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.565 8.405 2.645 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.580 7.154 3.107 1.00 0.00 C ATOM 963 CZ2 TRP A 66 0.187 7.241 2.539 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -1.829 5.997 3.002 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.458 6.049 2.719 1.00 0.00 C ATOM 0 H TRP A 66 -2.887 13.112 2.455 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.780 11.420 1.427 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.886 10.436 4.299 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.481 9.415 3.005 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.279 11.596 2.679 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.755 10.040 2.306 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.637 7.106 3.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.244 7.277 2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.307 5.039 3.140 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.101 5.128 2.641 1.00 0.00 H new ATOM 976 N ASN A 67 -6.347 12.592 2.744 1.00 0.00 N ATOM 977 CA ASN A 67 -7.812 12.734 2.736 1.00 0.00 C ATOM 978 C ASN A 67 -8.449 11.785 3.759 1.00 0.00 C ATOM 979 O ASN A 67 -8.179 10.584 3.758 1.00 0.00 O ATOM 980 CB ASN A 67 -8.416 12.475 1.348 1.00 0.00 C ATOM 981 CG ASN A 67 -7.728 13.235 0.231 1.00 0.00 C ATOM 982 OD1 ASN A 67 -8.025 14.402 -0.027 1.00 0.00 O ATOM 983 ND2 ASN A 67 -6.822 12.563 -0.460 1.00 0.00 N ATOM 0 H ASN A 67 -5.860 13.403 3.127 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.030 13.767 3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.366 11.408 1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.471 12.748 1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.340 13.011 -1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.605 11.597 -0.213 1.00 0.00 H new ATOM 990 N PRO A 68 -9.326 12.320 4.627 1.00 0.00 N ATOM 991 CA PRO A 68 -9.914 11.579 5.755 1.00 0.00 C ATOM 992 C PRO A 68 -10.500 10.213 5.377 1.00 0.00 C ATOM 993 O PRO A 68 -10.221 9.212 6.040 1.00 0.00 O ATOM 994 CB PRO A 68 -11.025 12.510 6.276 1.00 0.00 C ATOM 995 CG PRO A 68 -11.143 13.612 5.275 1.00 0.00 C ATOM 996 CD PRO A 68 -9.814 13.704 4.585 1.00 0.00 C ATOM 0 HA PRO A 68 -9.146 11.342 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.968 11.973 6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.774 12.903 7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.938 13.403 4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.393 14.554 5.763 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.914 14.066 3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.138 14.387 5.100 1.00 0.00 H new ATOM 1004 N GLU A 69 -11.288 10.159 4.306 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.959 8.921 3.925 1.00 0.00 C ATOM 1006 C GLU A 69 -10.958 7.897 3.420 1.00 0.00 C ATOM 1007 O GLU A 69 -11.084 6.705 3.690 1.00 0.00 O ATOM 1008 CB GLU A 69 -13.017 9.186 2.857 1.00 0.00 C ATOM 1009 CG GLU A 69 -14.262 9.866 3.389 1.00 0.00 C ATOM 1010 CD GLU A 69 -15.016 8.988 4.360 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -15.549 7.948 3.925 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -15.065 9.325 5.562 1.00 0.00 O ATOM 0 H GLU A 69 -11.476 10.951 3.692 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.449 8.521 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.582 9.806 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.300 8.240 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.984 10.797 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.915 10.130 2.557 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.952 8.376 2.712 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.945 7.504 2.135 1.00 0.00 C ATOM 1021 C PHE A 70 -8.071 6.904 3.231 1.00 0.00 C ATOM 1022 O PHE A 70 -7.884 5.693 3.283 1.00 0.00 O ATOM 1023 CB PHE A 70 -8.102 8.286 1.125 1.00 0.00 C ATOM 1024 CG PHE A 70 -7.054 7.468 0.427 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -7.419 6.457 -0.445 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.706 7.724 0.626 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -6.459 5.714 -1.103 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.742 6.981 -0.026 1.00 0.00 C ATOM 1029 CZ PHE A 70 -5.119 5.977 -0.894 1.00 0.00 C ATOM 0 H PHE A 70 -9.810 9.368 2.522 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.437 6.683 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.764 8.721 0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.616 9.114 1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.465 6.247 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.406 8.514 1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.756 4.927 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.695 7.185 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.367 5.397 -1.409 1.00 0.00 H new ATOM 1039 N THR A 71 -7.578 7.755 4.128 1.00 0.00 N ATOM 1040 CA THR A 71 -6.706 7.315 5.213 1.00 0.00 C ATOM 1041 C THR A 71 -7.342 6.180 6.015 1.00 0.00 C ATOM 1042 O THR A 71 -6.702 5.162 6.291 1.00 0.00 O ATOM 1043 CB THR A 71 -6.385 8.480 6.166 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.944 9.613 5.412 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.306 8.086 7.164 1.00 0.00 C ATOM 0 H THR A 71 -7.769 8.757 4.124 1.00 0.00 H new ATOM 0 HA THR A 71 -5.785 6.954 4.755 1.00 0.00 H new ATOM 0 HB THR A 71 -7.292 8.731 6.716 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.714 10.039 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.098 8.927 7.826 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.649 7.236 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.397 7.812 6.628 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.612 6.355 6.365 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.323 5.387 7.185 1.00 0.00 C ATOM 1055 C LYS A 72 -9.568 4.089 6.415 1.00 0.00 C ATOM 1056 O LYS A 72 -9.341 2.997 6.939 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.648 5.979 7.660 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.384 5.110 8.669 1.00 0.00 C ATOM 1059 CD LYS A 72 -12.600 5.827 9.218 1.00 0.00 C ATOM 1060 CE LYS A 72 -13.313 5.000 10.275 1.00 0.00 C ATOM 1061 NZ LYS A 72 -14.422 5.762 10.901 1.00 0.00 N ATOM 0 H LYS A 72 -9.170 7.163 6.091 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.705 5.153 8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.460 6.956 8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.293 6.142 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.690 4.177 8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.712 4.847 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.296 6.782 9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.290 6.049 8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.705 4.089 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.601 4.695 11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.889 5.170 11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.043 6.619 11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.113 6.032 10.172 1.00 0.00 H new ATOM 1075 N LYS A 73 -10.028 4.211 5.174 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.297 3.049 4.347 1.00 0.00 C ATOM 1077 C LYS A 73 -9.034 2.266 4.019 1.00 0.00 C ATOM 1078 O LYS A 73 -9.052 1.042 4.036 1.00 0.00 O ATOM 1079 CB LYS A 73 -11.015 3.478 3.077 1.00 0.00 C ATOM 1080 CG LYS A 73 -12.449 3.882 3.335 1.00 0.00 C ATOM 1081 CD LYS A 73 -13.122 4.425 2.095 1.00 0.00 C ATOM 1082 CE LYS A 73 -14.618 4.512 2.300 1.00 0.00 C ATOM 1083 NZ LYS A 73 -14.986 5.412 3.425 1.00 0.00 N ATOM 0 H LYS A 73 -10.221 5.105 4.722 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.939 2.377 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.481 4.314 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.995 2.660 2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.007 3.020 3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.476 4.637 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.723 5.412 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.902 3.781 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.087 4.870 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.014 3.515 2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.014 5.372 3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.494 5.107 4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.708 6.387 3.195 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.935 2.960 3.734 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.673 2.279 3.453 1.00 0.00 C ATOM 1099 C VAL A 74 -6.222 1.473 4.665 1.00 0.00 C ATOM 1100 O VAL A 74 -5.722 0.358 4.530 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.550 3.257 3.047 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.231 2.522 2.857 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.915 3.992 1.775 1.00 0.00 C ATOM 0 H VAL A 74 -7.891 3.978 3.692 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.859 1.615 2.609 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.433 3.981 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.456 3.233 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.949 2.033 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.342 1.772 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.110 4.676 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.064 3.273 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.834 4.557 1.932 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.418 2.045 5.849 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.130 1.342 7.090 1.00 0.00 C ATOM 1115 C ALA A 75 -6.974 0.076 7.177 1.00 0.00 C ATOM 1116 O ALA A 75 -6.502 -0.971 7.618 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.393 2.246 8.284 1.00 0.00 C ATOM 0 H ALA A 75 -6.775 2.992 5.973 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.077 1.061 7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.173 1.706 9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.756 3.128 8.220 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.439 2.553 8.285 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.219 0.181 6.725 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.101 -0.965 6.683 1.00 0.00 C ATOM 1125 C GLY A 76 -8.655 -1.991 5.658 1.00 0.00 C ATOM 1126 O GLY A 76 -8.716 -3.194 5.914 1.00 0.00 O ATOM 0 H GLY A 76 -8.634 1.049 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.138 -1.430 7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.113 -0.635 6.448 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.207 -1.515 4.494 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.677 -2.399 3.459 1.00 0.00 C ATOM 1132 C TRP A 77 -6.466 -3.142 3.994 1.00 0.00 C ATOM 1133 O TRP A 77 -6.430 -4.368 3.977 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.273 -1.623 2.196 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.378 -0.815 1.590 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.717 -0.982 1.781 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.236 0.278 0.671 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.415 -0.041 1.066 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.530 0.740 0.373 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.143 0.918 0.082 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -9.760 1.806 -0.495 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -7.372 1.974 -0.778 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -8.671 2.411 -1.057 1.00 0.00 C ATOM 0 H TRP A 77 -8.201 -0.525 4.247 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.466 -3.101 3.189 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.445 -0.958 2.442 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.905 -2.329 1.452 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.163 -1.743 2.404 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.430 0.060 1.053 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.136 0.592 0.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -10.763 2.142 -0.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.534 2.471 -1.243 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.816 3.243 -1.730 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.492 -2.385 4.494 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.267 -2.958 5.045 1.00 0.00 C ATOM 1156 C ALA A 78 -4.580 -3.940 6.167 1.00 0.00 C ATOM 1157 O ALA A 78 -3.946 -4.988 6.278 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.341 -1.857 5.543 1.00 0.00 C ATOM 0 H ALA A 78 -5.529 -1.366 4.529 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.761 -3.504 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.433 -2.302 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.082 -1.197 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.844 -1.283 6.321 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.569 -3.591 6.983 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.054 -4.469 8.041 1.00 0.00 C ATOM 1166 C GLU A 79 -6.490 -5.810 7.456 1.00 0.00 C ATOM 1167 O GLU A 79 -6.019 -6.867 7.875 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.237 -3.810 8.753 1.00 0.00 C ATOM 1169 CG GLU A 79 -7.769 -4.595 9.939 1.00 0.00 C ATOM 1170 CD GLU A 79 -6.946 -4.388 11.191 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -5.983 -5.146 11.413 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -7.273 -3.466 11.969 1.00 0.00 O ATOM 0 H GLU A 79 -6.055 -2.696 6.930 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.248 -4.640 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.935 -2.820 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.045 -3.667 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.800 -4.298 10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.784 -5.656 9.690 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.375 -5.752 6.466 1.00 0.00 N ATOM 1180 CA LYS A 80 -7.902 -6.955 5.838 1.00 0.00 C ATOM 1181 C LYS A 80 -6.814 -7.702 5.074 1.00 0.00 C ATOM 1182 O LYS A 80 -6.811 -8.928 5.036 1.00 0.00 O ATOM 1183 CB LYS A 80 -9.048 -6.618 4.884 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.277 -6.036 5.558 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.436 -5.942 4.580 1.00 0.00 C ATOM 1186 CE LYS A 80 -11.821 -7.317 4.052 1.00 0.00 C ATOM 1187 NZ LYS A 80 -12.839 -7.250 2.973 1.00 0.00 N ATOM 0 H LYS A 80 -7.742 -4.881 6.082 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.277 -7.596 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.687 -5.909 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.337 -7.523 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.561 -6.659 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.047 -5.046 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.294 -5.484 5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.162 -5.293 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.930 -7.820 3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.206 -7.922 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.689 -8.033 2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.790 -7.326 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.752 -6.344 2.469 1.00 0.00 H new ATOM 1201 N VAL A 81 -5.902 -6.962 4.461 1.00 0.00 N ATOM 1202 CA VAL A 81 -4.821 -7.561 3.689 1.00 0.00 C ATOM 1203 C VAL A 81 -3.835 -8.291 4.600 1.00 0.00 C ATOM 1204 O VAL A 81 -3.453 -9.428 4.325 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.072 -6.501 2.844 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -2.863 -7.108 2.156 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.004 -5.890 1.809 1.00 0.00 C ATOM 0 H VAL A 81 -5.888 -5.942 4.483 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.274 -8.284 3.010 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.728 -5.718 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.355 -6.342 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.178 -7.504 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.186 -7.915 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.461 -5.147 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.376 -6.672 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.844 -5.412 2.313 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.442 -7.647 5.692 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.481 -8.228 6.621 1.00 0.00 C ATOM 1219 C ALA A 82 -3.107 -9.367 7.421 1.00 0.00 C ATOM 1220 O ALA A 82 -2.456 -10.373 7.698 1.00 0.00 O ATOM 1221 CB ALA A 82 -1.935 -7.158 7.556 1.00 0.00 C ATOM 0 H ALA A 82 -3.775 -6.720 5.956 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.656 -8.640 6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.219 -7.607 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.440 -6.382 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.755 -6.717 8.123 1.00 0.00 H new ATOM 1227 N SER A 83 -4.372 -9.204 7.789 1.00 0.00 N ATOM 1228 CA SER A 83 -5.073 -10.209 8.573 1.00 0.00 C ATOM 1229 C SER A 83 -5.556 -11.353 7.680 1.00 0.00 C ATOM 1230 O SER A 83 -5.860 -12.447 8.162 1.00 0.00 O ATOM 1231 CB SER A 83 -6.257 -9.564 9.301 1.00 0.00 C ATOM 1232 OG SER A 83 -6.892 -10.481 10.179 1.00 0.00 O ATOM 0 H SER A 83 -4.932 -8.384 7.556 1.00 0.00 H new ATOM 0 HA SER A 83 -4.384 -10.623 9.309 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.910 -8.699 9.866 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.979 -9.199 8.571 1.00 0.00 H new ATOM 0 HG SER A 83 -7.642 -10.038 10.629 1.00 0.00 H new ATOM 1238 N GLY A 84 -5.615 -11.104 6.379 1.00 0.00 N ATOM 1239 CA GLY A 84 -6.096 -12.109 5.453 1.00 0.00 C ATOM 1240 C GLY A 84 -7.603 -12.247 5.502 1.00 0.00 C ATOM 1241 O GLY A 84 -8.135 -13.356 5.545 1.00 0.00 O ATOM 0 H GLY A 84 -5.338 -10.222 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.788 -11.847 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.636 -13.069 5.688 1.00 0.00 H new ATOM 1245 N ASN A 85 -8.290 -11.113 5.496 1.00 0.00 N ATOM 1246 CA ASN A 85 -9.746 -11.090 5.582 1.00 0.00 C ATOM 1247 C ASN A 85 -10.374 -10.993 4.204 1.00 0.00 C ATOM 1248 O ASN A 85 -11.558 -10.687 4.088 1.00 0.00 O ATOM 1249 CB ASN A 85 -10.227 -9.913 6.435 1.00 0.00 C ATOM 1250 CG ASN A 85 -9.887 -10.048 7.908 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -9.632 -9.053 8.585 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -9.914 -11.266 8.422 1.00 0.00 N ATOM 0 H ASN A 85 -7.860 -10.190 5.432 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.055 -12.024 6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.785 -8.993 6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.307 -9.816 6.328 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.719 -11.406 9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.130 -12.066 7.827 1.00 0.00 H new ATOM 1259 N ARG A 86 -9.552 -11.288 3.195 1.00 0.00 N ATOM 1260 CA ARG A 86 -9.902 -11.233 1.756 1.00 0.00 C ATOM 1261 C ARG A 86 -10.609 -9.935 1.335 1.00 0.00 C ATOM 1262 O ARG A 86 -11.626 -9.527 1.891 1.00 0.00 O ATOM 1263 CB ARG A 86 -10.719 -12.456 1.313 1.00 0.00 C ATOM 1264 CG ARG A 86 -12.069 -12.583 1.979 1.00 0.00 C ATOM 1265 CD ARG A 86 -12.815 -13.810 1.505 1.00 0.00 C ATOM 1266 NE ARG A 86 -13.986 -14.081 2.333 1.00 0.00 N ATOM 1267 CZ ARG A 86 -15.090 -14.678 1.900 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -15.210 -15.022 0.623 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -16.081 -14.925 2.744 1.00 0.00 N ATOM 0 H ARG A 86 -8.588 -11.583 3.352 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.943 -11.247 1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.864 -12.409 0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.141 -13.357 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.938 -12.632 3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.663 -11.693 1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.126 -13.670 0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.148 -14.672 1.524 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.954 -13.792 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.452 -14.828 -0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.061 -15.480 0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.995 -14.657 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.930 -15.384 2.413 1.00 0.00 H new ATOM 1283 N ILE A 87 -10.077 -9.307 0.311 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.615 -8.041 -0.158 1.00 0.00 C ATOM 1285 C ILE A 87 -11.172 -8.189 -1.564 1.00 0.00 C ATOM 1286 O ILE A 87 -10.635 -8.943 -2.377 1.00 0.00 O ATOM 1287 CB ILE A 87 -9.563 -6.902 -0.131 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -8.426 -7.166 -1.121 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -9.007 -6.729 1.273 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -7.423 -6.035 -1.199 1.00 0.00 C ATOM 0 H ILE A 87 -9.273 -9.648 -0.216 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.416 -7.766 0.529 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.063 -5.981 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.909 -8.081 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.848 -7.336 -2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.270 -5.926 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.818 -6.480 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.534 -7.657 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.645 -6.288 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.928 -5.122 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.973 -5.879 -0.218 1.00 0.00 H new ATOM 1302 N LEU A 88 -12.255 -7.484 -1.840 1.00 0.00 N ATOM 1303 CA LEU A 88 -12.882 -7.538 -3.148 1.00 0.00 C ATOM 1304 C LEU A 88 -12.225 -6.536 -4.086 1.00 0.00 C ATOM 1305 O LEU A 88 -12.323 -5.323 -3.882 1.00 0.00 O ATOM 1306 CB LEU A 88 -14.389 -7.260 -3.058 1.00 0.00 C ATOM 1307 CG LEU A 88 -15.237 -8.369 -2.418 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -15.044 -8.416 -0.907 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -16.704 -8.176 -2.766 1.00 0.00 C ATOM 0 H LEU A 88 -12.719 -6.866 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.746 -8.545 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.536 -6.342 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.766 -7.076 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.903 -9.325 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.659 -9.212 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.995 -8.609 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.340 -7.461 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -17.294 -8.969 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -17.042 -7.209 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.829 -8.212 -3.848 1.00 0.00 H new ATOM 1321 N ILE A 89 -11.533 -7.049 -5.089 1.00 0.00 N ATOM 1322 CA ILE A 89 -10.902 -6.205 -6.086 1.00 0.00 C ATOM 1323 C ILE A 89 -11.366 -6.597 -7.486 1.00 0.00 C ATOM 1324 O ILE A 89 -11.695 -5.732 -8.299 1.00 0.00 O ATOM 1325 CB ILE A 89 -9.349 -6.245 -5.955 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -8.830 -4.868 -5.546 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -8.664 -6.710 -7.237 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -9.123 -3.789 -6.565 1.00 0.00 C ATOM 0 H ILE A 89 -11.394 -8.049 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.209 -5.174 -5.912 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.105 -6.976 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.277 -4.588 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.753 -4.926 -5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.584 -6.719 -7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.005 -7.715 -7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -8.914 -6.029 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.727 -2.837 -6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.653 -4.047 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.201 -3.704 -6.705 1.00 0.00 H new ATOM 1340 N LYS A 90 -11.420 -7.908 -7.735 1.00 0.00 N ATOM 1341 CA LYS A 90 -11.902 -8.469 -9.000 1.00 0.00 C ATOM 1342 C LYS A 90 -10.961 -8.137 -10.159 1.00 0.00 C ATOM 1343 O LYS A 90 -10.260 -9.009 -10.667 1.00 0.00 O ATOM 1344 CB LYS A 90 -13.326 -7.985 -9.320 1.00 0.00 C ATOM 1345 CG LYS A 90 -14.331 -8.234 -8.204 1.00 0.00 C ATOM 1346 CD LYS A 90 -14.283 -9.673 -7.720 1.00 0.00 C ATOM 1347 CE LYS A 90 -15.449 -9.995 -6.799 1.00 0.00 C ATOM 1348 NZ LYS A 90 -16.760 -9.886 -7.498 1.00 0.00 N ATOM 0 H LYS A 90 -11.129 -8.615 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.923 -9.552 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.296 -6.917 -9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.673 -8.483 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.125 -7.562 -7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.335 -8.002 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.300 -10.346 -8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.344 -9.849 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.331 -11.004 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.435 -9.316 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.483 -10.407 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.034 -8.885 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.679 -10.289 -8.453 1.00 0.00 H new ATOM 1362 N ASN A 91 -10.943 -6.872 -10.557 1.00 0.00 N ATOM 1363 CA ASN A 91 -10.161 -6.429 -11.708 1.00 0.00 C ATOM 1364 C ASN A 91 -10.036 -4.904 -11.718 1.00 0.00 C ATOM 1365 O ASN A 91 -10.897 -4.192 -12.238 1.00 0.00 O ATOM 1366 CB ASN A 91 -10.765 -6.940 -13.036 1.00 0.00 C ATOM 1367 CG ASN A 91 -12.187 -6.456 -13.320 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -12.548 -6.214 -14.472 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -13.006 -6.326 -12.285 1.00 0.00 N ATOM 0 H ASN A 91 -11.466 -6.127 -10.096 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.163 -6.858 -11.616 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.119 -6.628 -13.857 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.762 -8.030 -13.025 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.967 -6.017 -12.431 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.675 -6.535 -11.343 1.00 0.00 H new ATOM 1376 N PRO A 92 -8.967 -4.381 -11.114 1.00 0.00 N ATOM 1377 CA PRO A 92 -8.756 -2.942 -11.005 1.00 0.00 C ATOM 1378 C PRO A 92 -8.177 -2.331 -12.285 1.00 0.00 C ATOM 1379 O PRO A 92 -8.835 -1.540 -12.961 1.00 0.00 O ATOM 1380 CB PRO A 92 -7.770 -2.827 -9.843 1.00 0.00 C ATOM 1381 CG PRO A 92 -7.006 -4.111 -9.837 1.00 0.00 C ATOM 1382 CD PRO A 92 -7.881 -5.156 -10.485 1.00 0.00 C ATOM 0 HA PRO A 92 -9.687 -2.399 -10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.104 -1.975 -9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.293 -2.677 -8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.068 -4.003 -10.382 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.751 -4.402 -8.818 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.327 -5.737 -11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.269 -5.861 -9.750 1.00 0.00 H new ATOM 1390 N GLU A 93 -6.955 -2.722 -12.623 1.00 0.00 N ATOM 1391 CA GLU A 93 -6.260 -2.173 -13.781 1.00 0.00 C ATOM 1392 C GLU A 93 -5.202 -3.154 -14.268 1.00 0.00 C ATOM 1393 O GLU A 93 -4.226 -2.759 -14.908 1.00 0.00 O ATOM 1394 CB GLU A 93 -5.604 -0.839 -13.410 1.00 0.00 C ATOM 1395 CG GLU A 93 -4.594 -0.951 -12.275 1.00 0.00 C ATOM 1396 CD GLU A 93 -3.987 0.383 -11.903 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -3.133 0.882 -12.664 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -4.372 0.942 -10.851 1.00 0.00 O ATOM 0 H GLU A 93 -6.421 -3.422 -12.108 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.981 -2.005 -14.581 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.106 -0.432 -14.290 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.380 -0.129 -13.126 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.082 -1.380 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.800 -1.639 -12.567 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.424 -4.439 -13.961 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.458 -5.515 -14.223 1.00 0.00 C ATOM 1407 C TYR A 94 -3.275 -5.458 -13.258 1.00 0.00 C ATOM 1408 O TYR A 94 -2.608 -6.466 -13.035 1.00 0.00 O ATOM 1409 CB TYR A 94 -3.936 -5.477 -15.666 1.00 0.00 C ATOM 1410 CG TYR A 94 -4.936 -5.919 -16.713 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -5.966 -5.082 -17.129 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -4.836 -7.173 -17.298 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -6.868 -5.489 -18.093 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -5.730 -7.584 -18.263 1.00 0.00 C ATOM 1415 CZ TYR A 94 -6.743 -6.742 -18.658 1.00 0.00 C ATOM 1416 OH TYR A 94 -7.632 -7.153 -19.625 1.00 0.00 O ATOM 0 H TYR A 94 -6.285 -4.764 -13.521 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.996 -6.450 -14.070 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.616 -4.461 -15.895 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.053 -6.113 -15.735 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.062 -4.099 -16.692 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.043 -7.839 -16.992 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.666 -4.831 -18.403 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.635 -8.564 -18.707 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.401 -8.059 -19.917 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.052 -4.283 -12.670 1.00 0.00 N ATOM 1427 CA PHE A 95 -1.845 -4.003 -11.906 1.00 0.00 C ATOM 1428 C PHE A 95 -0.645 -4.116 -12.838 1.00 0.00 C ATOM 1429 O PHE A 95 -0.006 -5.163 -12.942 1.00 0.00 O ATOM 1430 CB PHE A 95 -1.704 -4.926 -10.688 1.00 0.00 C ATOM 1431 CG PHE A 95 -0.510 -4.610 -9.828 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -0.220 -3.299 -9.477 1.00 0.00 C ATOM 1433 CD2 PHE A 95 0.317 -5.620 -9.369 1.00 0.00 C ATOM 1434 CE1 PHE A 95 0.876 -3.005 -8.686 1.00 0.00 C ATOM 1435 CE2 PHE A 95 1.412 -5.332 -8.580 1.00 0.00 C ATOM 1436 CZ PHE A 95 1.693 -4.026 -8.237 1.00 0.00 C ATOM 0 H PHE A 95 -3.705 -3.501 -12.712 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.904 -2.991 -11.506 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.607 -4.854 -10.082 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.631 -5.958 -11.031 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.857 -2.499 -9.825 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.103 -6.646 -9.631 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.093 -1.981 -8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.050 -6.130 -8.231 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.550 -3.801 -7.619 1.00 0.00 H new ATOM 1446 N SER A 96 -0.392 -3.020 -13.539 1.00 0.00 N ATOM 1447 CA SER A 96 0.564 -2.980 -14.633 1.00 0.00 C ATOM 1448 C SER A 96 1.926 -3.514 -14.245 1.00 0.00 C ATOM 1449 O SER A 96 2.446 -3.267 -13.151 1.00 0.00 O ATOM 1450 CB SER A 96 0.673 -1.550 -15.154 1.00 0.00 C ATOM 1451 OG SER A 96 -0.617 -1.001 -15.389 1.00 0.00 O ATOM 0 H SER A 96 -0.850 -2.126 -13.362 1.00 0.00 H new ATOM 0 HA SER A 96 0.194 -3.637 -15.420 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.210 -0.935 -14.432 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.253 -1.537 -16.077 1.00 0.00 H new ATOM 0 HG SER A 96 -0.526 -0.083 -15.721 1.00 0.00 H new ATOM 1457 N THR A 97 2.481 -4.247 -15.192 1.00 0.00 N ATOM 1458 CA THR A 97 3.731 -4.943 -15.037 1.00 0.00 C ATOM 1459 C THR A 97 4.854 -4.021 -14.572 1.00 0.00 C ATOM 1460 O THR A 97 5.643 -4.389 -13.701 1.00 0.00 O ATOM 1461 CB THR A 97 4.115 -5.587 -16.371 1.00 0.00 C ATOM 1462 OG1 THR A 97 2.971 -6.249 -16.935 1.00 0.00 O ATOM 1463 CG2 THR A 97 5.219 -6.585 -16.163 1.00 0.00 C ATOM 0 H THR A 97 2.059 -4.374 -16.112 1.00 0.00 H new ATOM 0 HA THR A 97 3.596 -5.704 -14.268 1.00 0.00 H new ATOM 0 HB THR A 97 4.460 -4.810 -17.053 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.219 -6.659 -17.790 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.485 -7.038 -17.118 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.091 -6.081 -15.745 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.883 -7.361 -15.475 1.00 0.00 H new ATOM 1471 N TYR A 98 4.913 -2.822 -15.139 1.00 0.00 N ATOM 1472 CA TYR A 98 5.967 -1.879 -14.795 1.00 0.00 C ATOM 1473 C TYR A 98 5.897 -1.531 -13.311 1.00 0.00 C ATOM 1474 O TYR A 98 6.919 -1.479 -12.632 1.00 0.00 O ATOM 1475 CB TYR A 98 5.852 -0.613 -15.650 1.00 0.00 C ATOM 1476 CG TYR A 98 7.086 0.261 -15.612 1.00 0.00 C ATOM 1477 CD1 TYR A 98 8.258 -0.138 -16.242 1.00 0.00 C ATOM 1478 CD2 TYR A 98 7.076 1.489 -14.961 1.00 0.00 C ATOM 1479 CE1 TYR A 98 9.387 0.658 -16.218 1.00 0.00 C ATOM 1480 CE2 TYR A 98 8.201 2.290 -14.931 1.00 0.00 C ATOM 1481 CZ TYR A 98 9.352 1.873 -15.564 1.00 0.00 C ATOM 1482 OH TYR A 98 10.473 2.674 -15.537 1.00 0.00 O ATOM 0 H TYR A 98 4.248 -2.483 -15.834 1.00 0.00 H new ATOM 0 HA TYR A 98 6.932 -2.343 -14.998 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.652 -0.900 -16.683 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.995 -0.032 -15.309 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.287 -1.086 -16.759 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.174 1.823 -14.470 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.292 0.331 -16.708 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.179 3.238 -14.414 1.00 0.00 H new ATOM 0 HH TYR A 98 10.277 3.494 -15.036 1.00 0.00 H new ATOM 1492 N MET A 99 4.683 -1.321 -12.810 1.00 0.00 N ATOM 1493 CA MET A 99 4.469 -1.043 -11.393 1.00 0.00 C ATOM 1494 C MET A 99 4.925 -2.220 -10.545 1.00 0.00 C ATOM 1495 O MET A 99 5.689 -2.056 -9.593 1.00 0.00 O ATOM 1496 CB MET A 99 2.991 -0.776 -11.105 1.00 0.00 C ATOM 1497 CG MET A 99 2.453 0.499 -11.721 1.00 0.00 C ATOM 1498 SD MET A 99 0.693 0.709 -11.405 1.00 0.00 S ATOM 1499 CE MET A 99 0.427 2.350 -12.063 1.00 0.00 C ATOM 0 H MET A 99 3.829 -1.338 -13.367 1.00 0.00 H new ATOM 0 HA MET A 99 5.052 -0.157 -11.141 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.404 -1.618 -11.472 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.846 -0.733 -10.026 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.998 1.354 -11.320 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.629 0.485 -12.797 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.621 2.626 -11.941 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.054 3.063 -11.528 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.685 2.364 -13.122 1.00 0.00 H new ATOM 1509 N GLN A 100 4.451 -3.405 -10.911 1.00 0.00 N ATOM 1510 CA GLN A 100 4.753 -4.617 -10.168 1.00 0.00 C ATOM 1511 C GLN A 100 6.255 -4.866 -10.122 1.00 0.00 C ATOM 1512 O GLN A 100 6.813 -5.147 -9.060 1.00 0.00 O ATOM 1513 CB GLN A 100 4.044 -5.820 -10.793 1.00 0.00 C ATOM 1514 CG GLN A 100 4.244 -7.105 -10.007 1.00 0.00 C ATOM 1515 CD GLN A 100 3.548 -8.297 -10.627 1.00 0.00 C ATOM 1516 OE1 GLN A 100 2.392 -8.587 -10.319 1.00 0.00 O ATOM 1517 NE2 GLN A 100 4.250 -9.008 -11.492 1.00 0.00 N ATOM 0 H GLN A 100 3.852 -3.550 -11.724 1.00 0.00 H new ATOM 0 HA GLN A 100 4.392 -4.484 -9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.977 -5.608 -10.866 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.411 -5.962 -11.810 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.311 -7.314 -9.931 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.874 -6.964 -8.992 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.206 -8.734 -11.721 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.836 -9.830 -11.931 1.00 0.00 H new ATOM 1526 N GLU A 101 6.911 -4.746 -11.269 1.00 0.00 N ATOM 1527 CA GLU A 101 8.331 -5.037 -11.356 1.00 0.00 C ATOM 1528 C GLU A 101 9.177 -3.969 -10.670 1.00 0.00 C ATOM 1529 O GLU A 101 10.266 -4.267 -10.191 1.00 0.00 O ATOM 1530 CB GLU A 101 8.771 -5.248 -12.800 1.00 0.00 C ATOM 1531 CG GLU A 101 8.169 -6.504 -13.410 1.00 0.00 C ATOM 1532 CD GLU A 101 9.118 -7.217 -14.346 1.00 0.00 C ATOM 1533 OE1 GLU A 101 9.969 -7.991 -13.857 1.00 0.00 O ATOM 1534 OE2 GLU A 101 9.017 -7.012 -15.574 1.00 0.00 O ATOM 0 H GLU A 101 6.483 -4.451 -12.146 1.00 0.00 H new ATOM 0 HA GLU A 101 8.496 -5.971 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.481 -4.383 -13.396 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.858 -5.313 -12.840 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.875 -7.185 -12.611 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.262 -6.239 -13.953 1.00 0.00 H new ATOM 1541 N GLN A 102 8.678 -2.736 -10.599 1.00 0.00 N ATOM 1542 CA GLN A 102 9.360 -1.694 -9.831 1.00 0.00 C ATOM 1543 C GLN A 102 9.486 -2.126 -8.378 1.00 0.00 C ATOM 1544 O GLN A 102 10.563 -2.058 -7.784 1.00 0.00 O ATOM 1545 CB GLN A 102 8.609 -0.358 -9.908 1.00 0.00 C ATOM 1546 CG GLN A 102 8.810 0.393 -11.214 1.00 0.00 C ATOM 1547 CD GLN A 102 10.260 0.775 -11.451 1.00 0.00 C ATOM 1548 OE1 GLN A 102 11.028 0.020 -12.043 1.00 0.00 O ATOM 1549 NE2 GLN A 102 10.646 1.957 -10.992 1.00 0.00 N ATOM 0 H GLN A 102 7.817 -2.436 -11.056 1.00 0.00 H new ATOM 0 HA GLN A 102 10.351 -1.551 -10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.544 -0.544 -9.768 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.933 0.277 -9.083 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.461 -0.225 -12.041 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.197 1.294 -11.209 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.980 2.557 -10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.609 2.266 -11.126 1.00 0.00 H new ATOM 1558 N LEU A 103 8.377 -2.595 -7.820 1.00 0.00 N ATOM 1559 CA LEU A 103 8.350 -3.075 -6.446 1.00 0.00 C ATOM 1560 C LEU A 103 9.160 -4.362 -6.316 1.00 0.00 C ATOM 1561 O LEU A 103 9.935 -4.531 -5.376 1.00 0.00 O ATOM 1562 CB LEU A 103 6.905 -3.319 -6.006 1.00 0.00 C ATOM 1563 CG LEU A 103 5.987 -2.093 -6.075 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.558 -2.482 -5.733 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.476 -1.006 -5.134 1.00 0.00 C ATOM 0 H LEU A 103 7.480 -2.653 -8.302 1.00 0.00 H new ATOM 0 HA LEU A 103 8.795 -2.316 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.480 -4.107 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.912 -3.691 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 103 6.009 -1.704 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.918 -1.601 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.205 -3.230 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.525 -2.894 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.812 -0.144 -5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.482 -1.385 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.486 -0.707 -5.416 1.00 0.00 H new ATOM 1577 N LYS A 104 8.977 -5.251 -7.280 1.00 0.00 N ATOM 1578 CA LYS A 104 9.648 -6.547 -7.300 1.00 0.00 C ATOM 1579 C LYS A 104 11.170 -6.407 -7.342 1.00 0.00 C ATOM 1580 O LYS A 104 11.871 -7.018 -6.540 1.00 0.00 O ATOM 1581 CB LYS A 104 9.132 -7.348 -8.496 1.00 0.00 C ATOM 1582 CG LYS A 104 10.019 -8.497 -8.941 1.00 0.00 C ATOM 1583 CD LYS A 104 9.333 -9.310 -10.030 1.00 0.00 C ATOM 1584 CE LYS A 104 10.328 -10.109 -10.852 1.00 0.00 C ATOM 1585 NZ LYS A 104 11.137 -9.237 -11.746 1.00 0.00 N ATOM 0 H LYS A 104 8.357 -5.096 -8.075 1.00 0.00 H new ATOM 0 HA LYS A 104 9.418 -7.076 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.148 -7.746 -8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.998 -6.668 -9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.968 -8.109 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.248 -9.138 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.610 -9.988 -9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.775 -8.641 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.991 -10.659 -10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.794 -10.847 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.768 -9.825 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.504 -8.693 -12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.705 -8.583 -11.171 1.00 0.00 H new ATOM 1599 N GLU A 105 11.681 -5.595 -8.261 1.00 0.00 N ATOM 1600 CA GLU A 105 13.123 -5.410 -8.388 1.00 0.00 C ATOM 1601 C GLU A 105 13.676 -4.643 -7.189 1.00 0.00 C ATOM 1602 O GLU A 105 14.852 -4.775 -6.845 1.00 0.00 O ATOM 1603 CB GLU A 105 13.472 -4.679 -9.686 1.00 0.00 C ATOM 1604 CG GLU A 105 13.008 -5.401 -10.945 1.00 0.00 C ATOM 1605 CD GLU A 105 13.577 -6.799 -11.072 1.00 0.00 C ATOM 1606 OE1 GLU A 105 14.659 -6.954 -11.673 1.00 0.00 O ATOM 1607 OE2 GLU A 105 12.937 -7.755 -10.590 1.00 0.00 O ATOM 0 H GLU A 105 11.123 -5.058 -8.925 1.00 0.00 H new ATOM 0 HA GLU A 105 13.583 -6.398 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.025 -3.685 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.552 -4.542 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.919 -5.457 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.297 -4.817 -11.819 1.00 0.00 H new ATOM 1614 N LEU A 106 12.821 -3.849 -6.557 1.00 0.00 N ATOM 1615 CA LEU A 106 13.199 -3.120 -5.354 1.00 0.00 C ATOM 1616 C LEU A 106 13.375 -4.082 -4.179 1.00 0.00 C ATOM 1617 O LEU A 106 14.354 -4.004 -3.438 1.00 0.00 O ATOM 1618 CB LEU A 106 12.139 -2.065 -5.028 1.00 0.00 C ATOM 1619 CG LEU A 106 12.454 -1.152 -3.843 1.00 0.00 C ATOM 1620 CD1 LEU A 106 13.732 -0.368 -4.095 1.00 0.00 C ATOM 1621 CD2 LEU A 106 11.288 -0.209 -3.593 1.00 0.00 C ATOM 0 H LEU A 106 11.859 -3.694 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 106 14.151 -2.619 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.987 -1.444 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.195 -2.574 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 106 12.605 -1.767 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.939 0.276 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.562 -1.061 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.613 0.244 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.519 0.439 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.116 0.400 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.392 -0.789 -3.372 1.00 0.00 H new ATOM 1633 N VAL A 107 12.423 -4.996 -4.023 1.00 0.00 N ATOM 1634 CA VAL A 107 12.497 -6.009 -2.973 1.00 0.00 C ATOM 1635 C VAL A 107 13.574 -7.040 -3.305 1.00 0.00 C ATOM 1636 O VAL A 107 14.137 -7.683 -2.414 1.00 0.00 O ATOM 1637 CB VAL A 107 11.137 -6.722 -2.771 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.219 -7.773 -1.670 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.049 -5.709 -2.452 1.00 0.00 C ATOM 0 H VAL A 107 11.591 -5.057 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 107 12.755 -5.500 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 107 10.886 -7.230 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.248 -8.255 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 107 11.966 -8.521 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.502 -7.296 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.100 -6.226 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.307 -5.173 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.959 -5.000 -3.275 1.00 0.00 H new ATOM 1649 N LEU A 108 13.856 -7.187 -4.596 1.00 0.00 N ATOM 1650 CA LEU A 108 14.910 -8.078 -5.070 1.00 0.00 C ATOM 1651 C LEU A 108 16.257 -7.662 -4.501 1.00 0.00 C ATOM 1652 O LEU A 108 17.114 -8.502 -4.222 1.00 0.00 O ATOM 1653 CB LEU A 108 14.980 -8.047 -6.596 1.00 0.00 C ATOM 1654 CG LEU A 108 15.930 -9.066 -7.228 1.00 0.00 C ATOM 1655 CD1 LEU A 108 15.437 -10.482 -6.971 1.00 0.00 C ATOM 1656 CD2 LEU A 108 16.070 -8.804 -8.719 1.00 0.00 C ATOM 0 H LEU A 108 13.363 -6.694 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 108 14.676 -9.089 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.979 -8.214 -6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.284 -7.048 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 108 16.913 -8.960 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 108 16.124 -11.195 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.389 -10.661 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.445 -10.606 -7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.749 -9.537 -9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.093 -8.885 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.468 -7.802 -8.876 1.00 0.00 H new ATOM 1668 N GLU A 109 16.437 -6.355 -4.344 1.00 0.00 N ATOM 1669 CA GLU A 109 17.659 -5.814 -3.778 1.00 0.00 C ATOM 1670 C GLU A 109 17.817 -6.334 -2.352 1.00 0.00 C ATOM 1671 O GLU A 109 18.689 -7.163 -2.085 1.00 0.00 O ATOM 1672 CB GLU A 109 17.605 -4.283 -3.812 1.00 0.00 C ATOM 1673 CG GLU A 109 18.961 -3.613 -3.937 1.00 0.00 C ATOM 1674 CD GLU A 109 19.722 -3.549 -2.630 1.00 0.00 C ATOM 1675 OE1 GLU A 109 20.329 -4.565 -2.237 1.00 0.00 O ATOM 1676 OE2 GLU A 109 19.724 -2.472 -2.000 1.00 0.00 O ATOM 0 H GLU A 109 15.746 -5.651 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 109 18.523 -6.133 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.980 -3.972 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.120 -3.928 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 109 19.559 -4.153 -4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.824 -2.601 -4.319 1.00 0.00 H new ATOM 1683 N HIS A 110 16.960 -5.842 -1.449 1.00 0.00 N ATOM 1684 CA HIS A 110 16.800 -6.406 -0.100 1.00 0.00 C ATOM 1685 C HIS A 110 17.986 -6.096 0.827 1.00 0.00 C ATOM 1686 O HIS A 110 17.791 -5.842 2.020 1.00 0.00 O ATOM 1687 CB HIS A 110 16.592 -7.928 -0.189 1.00 0.00 C ATOM 1688 CG HIS A 110 15.889 -8.543 0.990 1.00 0.00 C ATOM 1689 ND1 HIS A 110 14.881 -9.472 0.852 1.00 0.00 N ATOM 1690 CD2 HIS A 110 16.053 -8.371 2.326 1.00 0.00 C ATOM 1691 CE1 HIS A 110 14.457 -9.844 2.044 1.00 0.00 C ATOM 1692 NE2 HIS A 110 15.149 -9.192 2.956 1.00 0.00 N ATOM 0 H HIS A 110 16.356 -5.040 -1.632 1.00 0.00 H new ATOM 0 HA HIS A 110 15.922 -5.930 0.338 1.00 0.00 H new ATOM 0 HB2 HIS A 110 16.020 -8.149 -1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 110 17.565 -8.407 -0.303 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.762 -7.712 2.805 1.00 0.00 H new ATOM 0 HE1 HIS A 110 13.674 -10.562 2.240 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.033 -9.282 3.965 1.00 0.00 H new