USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=24 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 96 SER OG : rot -126:sc= 0.238 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.0828 USER MOD Set 2.1: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 44 TYR OH : rot 15:sc= -0.488 USER MOD Set 3.2: A 100 GLN : amide:sc= -1.27! X(o=-1.8!,f=-2) USER MOD Set 4.1: A 33 MET CE :methyl -122:sc= -2.22 (180deg=-5.97!) USER MOD Set 4.2: A 37 THR OG1 : rot 95:sc= 0.0998 USER MOD Single : A 15 LYS NZ :NH3+ -121:sc= 0.36 (180deg=0) USER MOD Single : A 23 MET CE :methyl -123:sc= -2.31 (180deg=-7.99!) USER MOD Single : A 24 ASN : amide:sc= 0.167 X(o=0.17,f=0.14) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.809 K(o=0.81,f=-5.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00819 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 1.78 (180deg=1.73) USER MOD Single : A 46 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.039) USER MOD Single : A 67 ASN : amide:sc= -0.93 X(o=-0.93,f=-1.3) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.923 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc=-0.000138 (180deg=-0.144) USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= 0.0624 (180deg=-0.0261) USER MOD Single : A 90 LYS NZ :NH3+ -142:sc= -1.22 (180deg=-3.49!) USER MOD Single : A 91 ASN : amide:sc= 1.11 K(o=1.1,f=-0.049) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -148:sc= -0.173 (180deg=-1.71!) USER MOD Single : A 102 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.15) USER MOD Single : A 104 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0256) USER MOD Single : A 110 HIS : no HD1:sc=-0.00797 X(o=-0.008,f=0) USER MOD ----------------------------------------------------------------- ATOM 163 N ALA A 12 11.157 0.367 2.150 1.00 0.00 N ATOM 164 CA ALA A 12 10.140 -0.179 1.261 1.00 0.00 C ATOM 165 C ALA A 12 8.769 0.392 1.598 1.00 0.00 C ATOM 166 O ALA A 12 8.012 0.785 0.710 1.00 0.00 O ATOM 167 CB ALA A 12 10.122 -1.700 1.352 1.00 0.00 C ATOM 0 HA ALA A 12 10.386 0.106 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.358 -2.096 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.096 -2.093 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.899 -2.001 2.376 1.00 0.00 H new ATOM 173 N ILE A 13 8.464 0.456 2.891 1.00 0.00 N ATOM 174 CA ILE A 13 7.206 1.028 3.348 1.00 0.00 C ATOM 175 C ILE A 13 7.077 2.478 2.935 1.00 0.00 C ATOM 176 O ILE A 13 6.037 2.898 2.438 1.00 0.00 O ATOM 177 CB ILE A 13 7.035 0.944 4.878 1.00 0.00 C ATOM 178 CG1 ILE A 13 8.372 1.143 5.602 1.00 0.00 C ATOM 179 CG2 ILE A 13 6.394 -0.370 5.256 1.00 0.00 C ATOM 180 CD1 ILE A 13 8.261 1.144 7.111 1.00 0.00 C ATOM 0 H ILE A 13 9.071 0.119 3.638 1.00 0.00 H new ATOM 0 HA ILE A 13 6.426 0.432 2.875 1.00 0.00 H new ATOM 0 HB ILE A 13 6.377 1.753 5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.059 0.352 5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.811 2.087 5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.277 -0.420 6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.416 -0.447 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.026 -1.193 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.249 1.290 7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.601 1.952 7.427 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.853 0.191 7.446 1.00 0.00 H new ATOM 192 N GLU A 14 8.144 3.235 3.110 1.00 0.00 N ATOM 193 CA GLU A 14 8.092 4.658 2.858 1.00 0.00 C ATOM 194 C GLU A 14 7.852 4.929 1.374 1.00 0.00 C ATOM 195 O GLU A 14 7.187 5.894 1.010 1.00 0.00 O ATOM 196 CB GLU A 14 9.385 5.338 3.317 1.00 0.00 C ATOM 197 CG GLU A 14 9.335 6.858 3.239 1.00 0.00 C ATOM 198 CD GLU A 14 10.668 7.508 3.556 1.00 0.00 C ATOM 199 OE1 GLU A 14 11.161 7.346 4.690 1.00 0.00 O ATOM 200 OE2 GLU A 14 11.227 8.190 2.667 1.00 0.00 O ATOM 0 H GLU A 14 9.051 2.889 3.424 1.00 0.00 H new ATOM 0 HA GLU A 14 7.262 5.074 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.596 5.042 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.212 4.978 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.020 7.156 2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.581 7.228 3.934 1.00 0.00 H new ATOM 207 N LYS A 15 8.386 4.058 0.523 1.00 0.00 N ATOM 208 CA LYS A 15 8.178 4.184 -0.913 1.00 0.00 C ATOM 209 C LYS A 15 6.771 3.738 -1.298 1.00 0.00 C ATOM 210 O LYS A 15 6.213 4.205 -2.289 1.00 0.00 O ATOM 211 CB LYS A 15 9.230 3.390 -1.692 1.00 0.00 C ATOM 212 CG LYS A 15 10.664 3.894 -1.519 1.00 0.00 C ATOM 213 CD LYS A 15 10.949 5.160 -2.330 1.00 0.00 C ATOM 214 CE LYS A 15 10.526 6.436 -1.608 1.00 0.00 C ATOM 215 NZ LYS A 15 10.868 7.655 -2.384 1.00 0.00 N ATOM 0 H LYS A 15 8.962 3.263 0.801 1.00 0.00 H new ATOM 0 HA LYS A 15 8.286 5.236 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.185 2.347 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.975 3.416 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.849 4.095 -0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.359 3.110 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.015 5.211 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.427 5.099 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.451 6.411 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.012 6.479 -0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.498 8.260 -1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.348 7.382 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.998 8.178 -2.611 1.00 0.00 H new ATOM 229 N ALA A 16 6.188 2.854 -0.506 1.00 0.00 N ATOM 230 CA ALA A 16 4.790 2.495 -0.683 1.00 0.00 C ATOM 231 C ALA A 16 3.912 3.691 -0.341 1.00 0.00 C ATOM 232 O ALA A 16 2.928 3.984 -1.028 1.00 0.00 O ATOM 233 CB ALA A 16 4.430 1.296 0.181 1.00 0.00 C ATOM 0 H ALA A 16 6.657 2.374 0.262 1.00 0.00 H new ATOM 0 HA ALA A 16 4.622 2.217 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.380 1.044 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.051 0.445 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.601 1.539 1.230 1.00 0.00 H new ATOM 239 N LEU A 17 4.294 4.398 0.718 1.00 0.00 N ATOM 240 CA LEU A 17 3.609 5.620 1.114 1.00 0.00 C ATOM 241 C LEU A 17 3.957 6.764 0.168 1.00 0.00 C ATOM 242 O LEU A 17 3.297 7.797 0.167 1.00 0.00 O ATOM 243 CB LEU A 17 3.942 6.011 2.560 1.00 0.00 C ATOM 244 CG LEU A 17 3.130 5.291 3.648 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.645 5.385 3.350 1.00 0.00 C ATOM 246 CD2 LEU A 17 3.546 3.839 3.785 1.00 0.00 C ATOM 0 H LEU A 17 5.078 4.143 1.319 1.00 0.00 H new ATOM 0 HA LEU A 17 2.538 5.426 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.000 5.818 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.791 7.085 2.671 1.00 0.00 H new ATOM 0 HG LEU A 17 3.335 5.788 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.084 4.870 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.346 6.433 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.437 4.920 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.951 3.362 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.385 3.324 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.601 3.787 4.052 1.00 0.00 H new ATOM 258 N ASP A 18 5.005 6.580 -0.627 1.00 0.00 N ATOM 259 CA ASP A 18 5.362 7.545 -1.664 1.00 0.00 C ATOM 260 C ASP A 18 4.302 7.515 -2.760 1.00 0.00 C ATOM 261 O ASP A 18 3.831 8.557 -3.221 1.00 0.00 O ATOM 262 CB ASP A 18 6.745 7.217 -2.244 1.00 0.00 C ATOM 263 CG ASP A 18 7.237 8.237 -3.252 1.00 0.00 C ATOM 264 OD1 ASP A 18 6.760 8.225 -4.407 1.00 0.00 O ATOM 265 OD2 ASP A 18 8.134 9.033 -2.905 1.00 0.00 O ATOM 0 H ASP A 18 5.624 5.771 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 18 5.405 8.545 -1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.465 7.148 -1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.707 6.237 -2.720 1.00 0.00 H new ATOM 270 N PHE A 19 3.920 6.302 -3.151 1.00 0.00 N ATOM 271 CA PHE A 19 2.837 6.097 -4.102 1.00 0.00 C ATOM 272 C PHE A 19 1.513 6.586 -3.525 1.00 0.00 C ATOM 273 O PHE A 19 0.914 7.541 -4.026 1.00 0.00 O ATOM 274 CB PHE A 19 2.704 4.614 -4.465 1.00 0.00 C ATOM 275 CG PHE A 19 3.722 4.113 -5.453 1.00 0.00 C ATOM 276 CD1 PHE A 19 4.974 3.684 -5.037 1.00 0.00 C ATOM 277 CD2 PHE A 19 3.415 4.059 -6.804 1.00 0.00 C ATOM 278 CE1 PHE A 19 5.901 3.217 -5.949 1.00 0.00 C ATOM 279 CE2 PHE A 19 4.339 3.591 -7.719 1.00 0.00 C ATOM 280 CZ PHE A 19 5.581 3.170 -7.290 1.00 0.00 C ATOM 0 H PHE A 19 4.351 5.440 -2.818 1.00 0.00 H new ATOM 0 HA PHE A 19 3.075 6.668 -4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.782 4.023 -3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.708 4.442 -4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.227 3.715 -3.988 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.444 4.386 -7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.874 2.890 -5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.089 3.555 -8.769 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.303 2.803 -8.005 1.00 0.00 H new ATOM 290 N ILE A 20 1.078 5.931 -2.454 1.00 0.00 N ATOM 291 CA ILE A 20 -0.227 6.194 -1.856 1.00 0.00 C ATOM 292 C ILE A 20 -0.325 7.623 -1.325 1.00 0.00 C ATOM 293 O ILE A 20 -1.324 8.308 -1.538 1.00 0.00 O ATOM 294 CB ILE A 20 -0.516 5.200 -0.709 1.00 0.00 C ATOM 295 CG1 ILE A 20 -0.410 3.761 -1.220 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.894 5.453 -0.113 1.00 0.00 C ATOM 297 CD1 ILE A 20 -0.556 2.716 -0.134 1.00 0.00 C ATOM 0 H ILE A 20 1.616 5.207 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.970 6.065 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 20 0.227 5.349 0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.178 3.596 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.554 3.629 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.078 4.743 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.939 6.468 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.653 5.330 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.470 1.722 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.228 2.854 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.531 2.820 0.342 1.00 0.00 H new ATOM 309 N GLY A 21 0.729 8.074 -0.664 1.00 0.00 N ATOM 310 CA GLY A 21 0.712 9.378 -0.032 1.00 0.00 C ATOM 311 C GLY A 21 0.819 10.514 -1.021 1.00 0.00 C ATOM 312 O GLY A 21 0.650 11.674 -0.651 1.00 0.00 O ATOM 0 H GLY A 21 1.602 7.558 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.210 9.487 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.537 9.443 0.678 1.00 0.00 H new ATOM 316 N GLY A 22 1.107 10.184 -2.273 1.00 0.00 N ATOM 317 CA GLY A 22 1.199 11.199 -3.306 1.00 0.00 C ATOM 318 C GLY A 22 -0.159 11.541 -3.880 1.00 0.00 C ATOM 319 O GLY A 22 -0.328 12.560 -4.553 1.00 0.00 O ATOM 0 H GLY A 22 1.279 9.231 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.656 12.098 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.853 10.847 -4.104 1.00 0.00 H new ATOM 323 N MET A 23 -1.135 10.690 -3.601 1.00 0.00 N ATOM 324 CA MET A 23 -2.484 10.887 -4.102 1.00 0.00 C ATOM 325 C MET A 23 -3.290 11.746 -3.133 1.00 0.00 C ATOM 326 O MET A 23 -4.126 11.254 -2.373 1.00 0.00 O ATOM 327 CB MET A 23 -3.161 9.537 -4.348 1.00 0.00 C ATOM 328 CG MET A 23 -2.423 8.676 -5.365 1.00 0.00 C ATOM 329 SD MET A 23 -3.191 7.066 -5.641 1.00 0.00 S ATOM 330 CE MET A 23 -3.092 6.353 -4.003 1.00 0.00 C ATOM 0 H MET A 23 -1.016 9.854 -3.028 1.00 0.00 H new ATOM 0 HA MET A 23 -2.435 11.415 -5.054 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.231 8.995 -3.405 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.180 9.706 -4.695 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.371 9.212 -6.313 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.398 8.527 -5.027 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.550 5.408 -4.049 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.568 7.040 -3.338 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.098 6.176 -3.622 1.00 0.00 H new ATOM 340 N ASN A 24 -3.001 13.041 -3.146 1.00 0.00 N ATOM 341 CA ASN A 24 -3.674 13.995 -2.270 1.00 0.00 C ATOM 342 C ASN A 24 -4.761 14.728 -3.040 1.00 0.00 C ATOM 343 O ASN A 24 -5.336 15.701 -2.552 1.00 0.00 O ATOM 344 CB ASN A 24 -2.681 15.023 -1.713 1.00 0.00 C ATOM 345 CG ASN A 24 -1.446 14.394 -1.093 1.00 0.00 C ATOM 346 OD1 ASN A 24 -0.459 14.140 -1.783 1.00 0.00 O ATOM 347 ND2 ASN A 24 -1.474 14.163 0.212 1.00 0.00 N ATOM 0 H ASN A 24 -2.300 13.458 -3.758 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.113 13.439 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.374 15.693 -2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.184 15.634 -0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.659 13.762 0.676 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.310 14.387 0.752 1.00 0.00 H new ATOM 354 N THR A 25 -5.045 14.246 -4.243 1.00 0.00 N ATOM 355 CA THR A 25 -5.980 14.895 -5.151 1.00 0.00 C ATOM 356 C THR A 25 -7.442 14.630 -4.776 1.00 0.00 C ATOM 357 O THR A 25 -8.230 14.155 -5.595 1.00 0.00 O ATOM 358 CB THR A 25 -5.706 14.421 -6.585 1.00 0.00 C ATOM 359 OG1 THR A 25 -5.054 13.144 -6.539 1.00 0.00 O ATOM 360 CG2 THR A 25 -4.827 15.414 -7.327 1.00 0.00 C ATOM 0 H THR A 25 -4.632 13.392 -4.617 1.00 0.00 H new ATOM 0 HA THR A 25 -5.825 15.971 -5.075 1.00 0.00 H new ATOM 0 HB THR A 25 -6.655 14.341 -7.116 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.877 12.834 -7.452 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.648 15.055 -8.340 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.326 16.382 -7.368 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.876 15.518 -6.805 1.00 0.00 H new ATOM 368 N SER A 26 -7.784 14.940 -3.523 1.00 0.00 N ATOM 369 CA SER A 26 -9.158 14.862 -3.028 1.00 0.00 C ATOM 370 C SER A 26 -9.748 13.458 -3.185 1.00 0.00 C ATOM 371 O SER A 26 -10.959 13.296 -3.356 1.00 0.00 O ATOM 372 CB SER A 26 -10.024 15.898 -3.746 1.00 0.00 C ATOM 373 OG SER A 26 -9.493 17.207 -3.569 1.00 0.00 O ATOM 0 H SER A 26 -7.112 15.253 -2.822 1.00 0.00 H new ATOM 0 HA SER A 26 -9.144 15.080 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.076 15.662 -4.809 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.043 15.858 -3.360 1.00 0.00 H new ATOM 0 HG SER A 26 -10.059 17.856 -4.037 1.00 0.00 H new ATOM 430 N HIS A 31 -12.435 6.698 -6.069 1.00 0.00 N ATOM 431 CA HIS A 31 -11.377 7.159 -6.949 1.00 0.00 C ATOM 432 C HIS A 31 -10.808 5.991 -7.749 1.00 0.00 C ATOM 433 O HIS A 31 -10.326 5.025 -7.166 1.00 0.00 O ATOM 434 CB HIS A 31 -10.275 7.846 -6.141 1.00 0.00 C ATOM 435 CG HIS A 31 -10.257 9.335 -6.308 1.00 0.00 C ATOM 436 ND1 HIS A 31 -9.218 10.008 -6.904 1.00 0.00 N ATOM 437 CD2 HIS A 31 -11.155 10.282 -5.949 1.00 0.00 C ATOM 438 CE1 HIS A 31 -9.473 11.300 -6.909 1.00 0.00 C ATOM 439 NE2 HIS A 31 -10.644 11.496 -6.334 1.00 0.00 N ATOM 0 HA HIS A 31 -11.794 7.885 -7.647 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.406 7.607 -5.085 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.308 7.442 -6.442 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -8.377 9.573 -7.285 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.099 10.113 -5.452 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.832 12.069 -7.315 1.00 0.00 H new ATOM 448 N SER A 32 -10.864 6.083 -9.074 1.00 0.00 N ATOM 449 CA SER A 32 -10.456 4.982 -9.949 1.00 0.00 C ATOM 450 C SER A 32 -9.003 4.592 -9.725 1.00 0.00 C ATOM 451 O SER A 32 -8.701 3.497 -9.242 1.00 0.00 O ATOM 452 CB SER A 32 -10.617 5.389 -11.408 1.00 0.00 C ATOM 453 OG SER A 32 -11.858 6.041 -11.625 1.00 0.00 O ATOM 0 H SER A 32 -11.189 6.912 -9.570 1.00 0.00 H new ATOM 0 HA SER A 32 -11.094 4.130 -9.711 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.800 6.051 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.551 4.506 -12.044 1.00 0.00 H new ATOM 0 HG SER A 32 -11.935 6.293 -12.569 1.00 0.00 H new ATOM 459 N MET A 33 -8.119 5.508 -10.093 1.00 0.00 N ATOM 460 CA MET A 33 -6.681 5.295 -10.017 1.00 0.00 C ATOM 461 C MET A 33 -6.293 4.931 -8.591 1.00 0.00 C ATOM 462 O MET A 33 -5.825 3.821 -8.321 1.00 0.00 O ATOM 463 CB MET A 33 -5.969 6.583 -10.462 1.00 0.00 C ATOM 464 CG MET A 33 -4.667 6.392 -11.238 1.00 0.00 C ATOM 465 SD MET A 33 -3.242 6.003 -10.201 1.00 0.00 S ATOM 466 CE MET A 33 -3.437 4.239 -10.019 1.00 0.00 C ATOM 0 H MET A 33 -8.381 6.425 -10.455 1.00 0.00 H new ATOM 0 HA MET A 33 -6.384 4.476 -10.672 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.657 7.160 -11.080 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.757 7.182 -9.577 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.804 5.591 -11.965 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.456 7.301 -11.801 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.512 3.989 -8.961 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.343 3.918 -10.533 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.575 3.731 -10.451 1.00 0.00 H new ATOM 476 N ASP A 34 -6.556 5.864 -7.696 1.00 0.00 N ATOM 477 CA ASP A 34 -6.180 5.766 -6.294 1.00 0.00 C ATOM 478 C ASP A 34 -6.647 4.456 -5.668 1.00 0.00 C ATOM 479 O ASP A 34 -5.837 3.584 -5.371 1.00 0.00 O ATOM 480 CB ASP A 34 -6.794 6.938 -5.521 1.00 0.00 C ATOM 481 CG ASP A 34 -6.672 8.263 -6.253 1.00 0.00 C ATOM 482 OD1 ASP A 34 -7.254 8.392 -7.358 1.00 0.00 O ATOM 483 OD2 ASP A 34 -6.026 9.188 -5.729 1.00 0.00 O ATOM 0 H ASP A 34 -7.046 6.729 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.092 5.796 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.847 6.729 -5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.307 7.020 -4.550 1.00 0.00 H new ATOM 488 N GLU A 35 -7.957 4.309 -5.516 1.00 0.00 N ATOM 489 CA GLU A 35 -8.525 3.221 -4.728 1.00 0.00 C ATOM 490 C GLU A 35 -8.184 1.843 -5.295 1.00 0.00 C ATOM 491 O GLU A 35 -7.517 1.044 -4.635 1.00 0.00 O ATOM 492 CB GLU A 35 -10.042 3.371 -4.630 1.00 0.00 C ATOM 493 CG GLU A 35 -10.714 2.236 -3.879 1.00 0.00 C ATOM 494 CD GLU A 35 -12.221 2.318 -3.916 1.00 0.00 C ATOM 495 OE1 GLU A 35 -12.818 1.830 -4.894 1.00 0.00 O ATOM 496 OE2 GLU A 35 -12.811 2.838 -2.949 1.00 0.00 O ATOM 0 H GLU A 35 -8.650 4.933 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.079 3.288 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.275 4.313 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.459 3.429 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.396 1.285 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.380 2.246 -2.841 1.00 0.00 H new ATOM 503 N SER A 36 -8.638 1.576 -6.517 1.00 0.00 N ATOM 504 CA SER A 36 -8.540 0.243 -7.096 1.00 0.00 C ATOM 505 C SER A 36 -7.085 -0.226 -7.173 1.00 0.00 C ATOM 506 O SER A 36 -6.757 -1.343 -6.763 1.00 0.00 O ATOM 507 CB SER A 36 -9.180 0.223 -8.490 1.00 0.00 C ATOM 508 OG SER A 36 -9.280 -1.099 -8.991 1.00 0.00 O ATOM 0 H SER A 36 -9.078 2.268 -7.124 1.00 0.00 H new ATOM 0 HA SER A 36 -9.079 -0.446 -6.446 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.172 0.673 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.586 0.830 -9.174 1.00 0.00 H new ATOM 0 HG SER A 36 -9.693 -1.082 -9.880 1.00 0.00 H new ATOM 514 N THR A 37 -6.211 0.633 -7.670 1.00 0.00 N ATOM 515 CA THR A 37 -4.830 0.248 -7.893 1.00 0.00 C ATOM 516 C THR A 37 -4.051 0.178 -6.580 1.00 0.00 C ATOM 517 O THR A 37 -3.141 -0.640 -6.438 1.00 0.00 O ATOM 518 CB THR A 37 -4.140 1.206 -8.873 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.999 1.427 -10.004 1.00 0.00 O ATOM 520 CG2 THR A 37 -2.812 0.633 -9.347 1.00 0.00 C ATOM 0 H THR A 37 -6.432 1.596 -7.925 1.00 0.00 H new ATOM 0 HA THR A 37 -4.839 -0.748 -8.335 1.00 0.00 H new ATOM 0 HB THR A 37 -3.945 2.149 -8.362 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.523 2.243 -9.862 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.342 1.330 -10.041 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.157 0.476 -8.490 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.985 -0.318 -9.850 1.00 0.00 H new ATOM 528 N ALA A 38 -4.421 1.014 -5.611 1.00 0.00 N ATOM 529 CA ALA A 38 -3.774 0.974 -4.308 1.00 0.00 C ATOM 530 C ALA A 38 -4.050 -0.364 -3.628 1.00 0.00 C ATOM 531 O ALA A 38 -3.170 -0.938 -2.988 1.00 0.00 O ATOM 532 CB ALA A 38 -4.234 2.120 -3.421 1.00 0.00 C ATOM 0 H ALA A 38 -5.155 1.716 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.701 1.085 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.730 2.058 -2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.990 3.069 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.312 2.055 -3.272 1.00 0.00 H new ATOM 538 N LYS A 39 -5.285 -0.854 -3.779 1.00 0.00 N ATOM 539 CA LYS A 39 -5.657 -2.180 -3.288 1.00 0.00 C ATOM 540 C LYS A 39 -4.748 -3.239 -3.901 1.00 0.00 C ATOM 541 O LYS A 39 -4.279 -4.151 -3.217 1.00 0.00 O ATOM 542 CB LYS A 39 -7.118 -2.498 -3.632 1.00 0.00 C ATOM 543 CG LYS A 39 -8.131 -1.635 -2.898 1.00 0.00 C ATOM 544 CD LYS A 39 -9.548 -1.911 -3.383 1.00 0.00 C ATOM 545 CE LYS A 39 -10.566 -1.079 -2.623 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.941 -1.218 -3.177 1.00 0.00 N ATOM 0 H LYS A 39 -6.043 -0.349 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.543 -2.186 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.262 -2.375 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.314 -3.545 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.067 -1.827 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.892 -0.582 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.619 -1.691 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.776 -2.970 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.567 -1.380 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.269 -0.031 -2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.599 -0.632 -2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.949 -0.906 -4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.237 -2.213 -3.125 1.00 0.00 H new ATOM 560 N GLY A 40 -4.505 -3.103 -5.200 1.00 0.00 N ATOM 561 CA GLY A 40 -3.630 -4.021 -5.896 1.00 0.00 C ATOM 562 C GLY A 40 -2.199 -3.963 -5.392 1.00 0.00 C ATOM 563 O GLY A 40 -1.581 -5.000 -5.147 1.00 0.00 O ATOM 0 H GLY A 40 -4.903 -2.368 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.010 -5.036 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.645 -3.793 -6.962 1.00 0.00 H new ATOM 567 N ILE A 41 -1.674 -2.750 -5.236 1.00 0.00 N ATOM 568 CA ILE A 41 -0.312 -2.558 -4.747 1.00 0.00 C ATOM 569 C ILE A 41 -0.138 -3.168 -3.354 1.00 0.00 C ATOM 570 O ILE A 41 0.818 -3.907 -3.109 1.00 0.00 O ATOM 571 CB ILE A 41 0.078 -1.061 -4.705 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.052 -0.457 -6.117 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.455 -0.885 -4.074 1.00 0.00 C ATOM 574 CD1 ILE A 41 0.492 0.993 -6.175 1.00 0.00 C ATOM 0 H ILE A 41 -2.173 -1.884 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 41 0.349 -3.067 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.652 -0.533 -4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.698 -1.048 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.959 -0.536 -6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.713 0.174 -4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.442 -1.276 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.196 -1.427 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.446 1.346 -7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.168 1.599 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.515 1.078 -5.808 1.00 0.00 H new ATOM 586 N LEU A 42 -1.075 -2.879 -2.458 1.00 0.00 N ATOM 587 CA LEU A 42 -1.012 -3.386 -1.090 1.00 0.00 C ATOM 588 C LEU A 42 -1.036 -4.913 -1.065 1.00 0.00 C ATOM 589 O LEU A 42 -0.337 -5.542 -0.267 1.00 0.00 O ATOM 590 CB LEU A 42 -2.175 -2.836 -0.261 1.00 0.00 C ATOM 591 CG LEU A 42 -2.139 -1.330 0.005 1.00 0.00 C ATOM 592 CD1 LEU A 42 -3.368 -0.905 0.789 1.00 0.00 C ATOM 593 CD2 LEU A 42 -0.874 -0.955 0.760 1.00 0.00 C ATOM 0 H LEU A 42 -1.889 -2.296 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.071 -3.049 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.108 -3.075 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.194 -3.356 0.697 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.138 -0.808 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.330 0.169 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.265 -1.144 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.393 -1.434 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.864 0.120 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.849 -1.484 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.002 -1.231 0.168 1.00 0.00 H new ATOM 605 N LYS A 43 -1.835 -5.503 -1.945 1.00 0.00 N ATOM 606 CA LYS A 43 -1.942 -6.954 -2.027 1.00 0.00 C ATOM 607 C LYS A 43 -0.622 -7.556 -2.509 1.00 0.00 C ATOM 608 O LYS A 43 -0.148 -8.564 -1.975 1.00 0.00 O ATOM 609 CB LYS A 43 -3.081 -7.341 -2.975 1.00 0.00 C ATOM 610 CG LYS A 43 -3.434 -8.822 -2.945 1.00 0.00 C ATOM 611 CD LYS A 43 -4.596 -9.155 -3.874 1.00 0.00 C ATOM 612 CE LYS A 43 -5.871 -8.417 -3.485 1.00 0.00 C ATOM 613 NZ LYS A 43 -7.046 -8.895 -4.263 1.00 0.00 N ATOM 0 H LYS A 43 -2.419 -4.999 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.160 -7.349 -1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.967 -6.761 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.804 -7.064 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.561 -9.408 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.691 -9.112 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.326 -8.897 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.779 -10.229 -3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.060 -8.554 -2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.737 -7.348 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.900 -8.393 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.891 -8.710 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.169 -9.917 -4.113 1.00 0.00 H new ATOM 627 N TYR A 44 -0.021 -6.914 -3.503 1.00 0.00 N ATOM 628 CA TYR A 44 1.242 -7.373 -4.061 1.00 0.00 C ATOM 629 C TYR A 44 2.366 -7.253 -3.031 1.00 0.00 C ATOM 630 O TYR A 44 3.152 -8.183 -2.854 1.00 0.00 O ATOM 631 CB TYR A 44 1.582 -6.579 -5.330 1.00 0.00 C ATOM 632 CG TYR A 44 2.861 -7.024 -6.010 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.992 -8.314 -6.512 1.00 0.00 C ATOM 634 CD2 TYR A 44 3.938 -6.156 -6.150 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.159 -8.725 -7.132 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.105 -6.561 -6.769 1.00 0.00 C ATOM 637 CZ TYR A 44 5.211 -7.845 -7.258 1.00 0.00 C ATOM 638 OH TYR A 44 6.374 -8.252 -7.873 1.00 0.00 O ATOM 0 H TYR A 44 -0.391 -6.070 -3.940 1.00 0.00 H new ATOM 0 HA TYR A 44 1.140 -8.425 -4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.756 -6.670 -6.036 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.667 -5.523 -5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.169 -9.007 -6.416 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.861 -5.149 -5.769 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.244 -9.731 -7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.932 -5.873 -6.869 1.00 0.00 H new ATOM 0 HH TYR A 44 6.211 -9.085 -8.363 1.00 0.00 H new ATOM 648 N LEU A 45 2.428 -6.114 -2.342 1.00 0.00 N ATOM 649 CA LEU A 45 3.444 -5.890 -1.312 1.00 0.00 C ATOM 650 C LEU A 45 3.317 -6.915 -0.193 1.00 0.00 C ATOM 651 O LEU A 45 4.317 -7.437 0.303 1.00 0.00 O ATOM 652 CB LEU A 45 3.320 -4.481 -0.734 1.00 0.00 C ATOM 653 CG LEU A 45 3.625 -3.346 -1.709 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.378 -2.001 -1.048 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.059 -3.438 -2.209 1.00 0.00 C ATOM 0 H LEU A 45 1.787 -5.332 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 45 4.423 -5.999 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.307 -4.350 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.993 -4.396 0.119 1.00 0.00 H new ATOM 0 HG LEU A 45 2.958 -3.440 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.600 -1.202 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.335 -1.933 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.022 -1.901 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.256 -2.620 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.744 -3.370 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.206 -4.390 -2.719 1.00 0.00 H new ATOM 667 N HIS A 46 2.075 -7.197 0.195 1.00 0.00 N ATOM 668 CA HIS A 46 1.780 -8.210 1.199 1.00 0.00 C ATOM 669 C HIS A 46 2.477 -9.525 0.877 1.00 0.00 C ATOM 670 O HIS A 46 3.174 -10.094 1.716 1.00 0.00 O ATOM 671 CB HIS A 46 0.267 -8.435 1.268 1.00 0.00 C ATOM 672 CG HIS A 46 -0.140 -9.548 2.180 1.00 0.00 C ATOM 673 ND1 HIS A 46 -0.474 -10.808 1.734 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.274 -9.572 3.518 1.00 0.00 C ATOM 675 CE1 HIS A 46 -0.801 -11.559 2.769 1.00 0.00 C ATOM 676 NE2 HIS A 46 -0.688 -10.833 3.869 1.00 0.00 N ATOM 0 H HIS A 46 1.249 -6.730 -0.178 1.00 0.00 H new ATOM 0 HA HIS A 46 2.149 -7.856 2.162 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.213 -7.514 1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.105 -8.646 0.265 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.469 -11.112 0.760 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.090 -8.749 4.193 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.109 -12.593 2.725 1.00 0.00 H new ATOM 685 N ASP A 47 2.284 -9.995 -0.344 1.00 0.00 N ATOM 686 CA ASP A 47 2.805 -11.289 -0.758 1.00 0.00 C ATOM 687 C ASP A 47 4.300 -11.233 -1.052 1.00 0.00 C ATOM 688 O ASP A 47 4.955 -12.270 -1.159 1.00 0.00 O ATOM 689 CB ASP A 47 2.033 -11.805 -1.965 1.00 0.00 C ATOM 690 CG ASP A 47 0.712 -12.431 -1.568 1.00 0.00 C ATOM 691 OD1 ASP A 47 0.015 -11.870 -0.691 1.00 0.00 O ATOM 692 OD2 ASP A 47 0.381 -13.509 -2.103 1.00 0.00 O ATOM 0 H ASP A 47 1.768 -9.498 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 47 2.668 -11.983 0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.851 -10.983 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.638 -12.541 -2.495 1.00 0.00 H new ATOM 697 N LEU A 48 4.840 -10.026 -1.173 1.00 0.00 N ATOM 698 CA LEU A 48 6.283 -9.854 -1.326 1.00 0.00 C ATOM 699 C LEU A 48 6.990 -10.120 -0.003 1.00 0.00 C ATOM 700 O LEU A 48 8.166 -10.493 0.022 1.00 0.00 O ATOM 701 CB LEU A 48 6.626 -8.442 -1.810 1.00 0.00 C ATOM 702 CG LEU A 48 6.229 -8.123 -3.250 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.646 -6.704 -3.609 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.847 -9.129 -4.212 1.00 0.00 C ATOM 0 H LEU A 48 4.307 -9.157 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 48 6.624 -10.570 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.140 -7.723 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.701 -8.293 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 48 5.145 -8.196 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.357 -6.489 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.153 -5.999 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.727 -6.606 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.552 -8.885 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.933 -9.092 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.498 -10.131 -3.964 1.00 0.00 H new ATOM 716 N GLY A 49 6.272 -9.918 1.094 1.00 0.00 N ATOM 717 CA GLY A 49 6.845 -10.129 2.406 1.00 0.00 C ATOM 718 C GLY A 49 6.834 -8.871 3.249 1.00 0.00 C ATOM 719 O GLY A 49 7.027 -8.929 4.464 1.00 0.00 O ATOM 0 H GLY A 49 5.299 -9.611 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.289 -10.913 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.870 -10.483 2.299 1.00 0.00 H new ATOM 723 N VAL A 50 6.608 -7.732 2.606 1.00 0.00 N ATOM 724 CA VAL A 50 6.583 -6.457 3.306 1.00 0.00 C ATOM 725 C VAL A 50 5.237 -5.761 3.109 1.00 0.00 C ATOM 726 O VAL A 50 5.027 -5.059 2.121 1.00 0.00 O ATOM 727 CB VAL A 50 7.715 -5.516 2.831 1.00 0.00 C ATOM 728 CG1 VAL A 50 7.720 -4.228 3.638 1.00 0.00 C ATOM 729 CG2 VAL A 50 9.068 -6.207 2.913 1.00 0.00 C ATOM 0 H VAL A 50 6.440 -7.667 1.602 1.00 0.00 H new ATOM 0 HA VAL A 50 6.735 -6.673 4.364 1.00 0.00 H new ATOM 0 HB VAL A 50 7.527 -5.264 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.524 -3.582 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.765 -3.718 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.875 -4.460 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.847 -5.524 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.266 -6.499 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.062 -7.094 2.280 1.00 0.00 H new ATOM 739 N PRO A 51 4.298 -5.975 4.040 1.00 0.00 N ATOM 740 CA PRO A 51 3.005 -5.315 4.028 1.00 0.00 C ATOM 741 C PRO A 51 3.019 -4.012 4.821 1.00 0.00 C ATOM 742 O PRO A 51 3.727 -3.884 5.825 1.00 0.00 O ATOM 743 CB PRO A 51 2.080 -6.342 4.696 1.00 0.00 C ATOM 744 CG PRO A 51 2.974 -7.347 5.367 1.00 0.00 C ATOM 745 CD PRO A 51 4.402 -6.899 5.169 1.00 0.00 C ATOM 0 HA PRO A 51 2.694 -5.034 3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.425 -5.860 5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.439 -6.824 3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.740 -7.418 6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.822 -8.338 4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.799 -6.409 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.062 -7.737 4.946 1.00 0.00 H new ATOM 753 N VAL A 52 2.247 -3.043 4.363 1.00 0.00 N ATOM 754 CA VAL A 52 2.123 -1.778 5.069 1.00 0.00 C ATOM 755 C VAL A 52 1.031 -1.879 6.123 1.00 0.00 C ATOM 756 O VAL A 52 -0.149 -1.985 5.794 1.00 0.00 O ATOM 757 CB VAL A 52 1.802 -0.614 4.107 1.00 0.00 C ATOM 758 CG1 VAL A 52 1.728 0.708 4.864 1.00 0.00 C ATOM 759 CG2 VAL A 52 2.839 -0.541 2.994 1.00 0.00 C ATOM 0 H VAL A 52 1.697 -3.106 3.507 1.00 0.00 H new ATOM 0 HA VAL A 52 3.082 -1.570 5.543 1.00 0.00 H new ATOM 0 HB VAL A 52 0.827 -0.800 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.501 1.514 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.945 0.651 5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.685 0.905 5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.597 0.285 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.826 -0.381 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.836 -1.475 2.432 1.00 0.00 H new ATOM 769 N SER A 53 1.431 -1.874 7.386 1.00 0.00 N ATOM 770 CA SER A 53 0.486 -1.976 8.487 1.00 0.00 C ATOM 771 C SER A 53 -0.409 -0.739 8.547 1.00 0.00 C ATOM 772 O SER A 53 0.056 0.383 8.343 1.00 0.00 O ATOM 773 CB SER A 53 1.245 -2.153 9.802 1.00 0.00 C ATOM 774 OG SER A 53 2.159 -3.234 9.710 1.00 0.00 O ATOM 0 H SER A 53 2.407 -1.800 7.674 1.00 0.00 H new ATOM 0 HA SER A 53 -0.152 -2.845 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.782 -1.236 10.045 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.540 -2.334 10.613 1.00 0.00 H new ATOM 0 HG SER A 53 2.637 -3.331 10.560 1.00 0.00 H new ATOM 780 N PRO A 54 -1.713 -0.934 8.824 1.00 0.00 N ATOM 781 CA PRO A 54 -2.689 0.162 8.897 1.00 0.00 C ATOM 782 C PRO A 54 -2.271 1.261 9.872 1.00 0.00 C ATOM 783 O PRO A 54 -2.626 2.427 9.696 1.00 0.00 O ATOM 784 CB PRO A 54 -3.982 -0.518 9.372 1.00 0.00 C ATOM 785 CG PRO A 54 -3.582 -1.880 9.833 1.00 0.00 C ATOM 786 CD PRO A 54 -2.342 -2.241 9.068 1.00 0.00 C ATOM 0 HA PRO A 54 -2.792 0.664 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.446 0.047 10.180 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.712 -0.578 8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.391 -1.886 10.906 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.377 -2.602 9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.692 -2.901 9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.578 -2.756 8.137 1.00 0.00 H new ATOM 794 N GLU A 55 -1.499 0.883 10.888 1.00 0.00 N ATOM 795 CA GLU A 55 -0.984 1.833 11.866 1.00 0.00 C ATOM 796 C GLU A 55 -0.161 2.914 11.172 1.00 0.00 C ATOM 797 O GLU A 55 -0.309 4.106 11.449 1.00 0.00 O ATOM 798 CB GLU A 55 -0.117 1.111 12.899 1.00 0.00 C ATOM 799 CG GLU A 55 0.311 1.992 14.062 1.00 0.00 C ATOM 800 CD GLU A 55 1.155 1.250 15.075 1.00 0.00 C ATOM 801 OE1 GLU A 55 0.582 0.548 15.933 1.00 0.00 O ATOM 802 OE2 GLU A 55 2.398 1.354 15.016 1.00 0.00 O ATOM 0 H GLU A 55 -1.216 -0.083 11.054 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.829 2.299 12.372 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.668 0.254 13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.772 0.720 12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.874 2.844 13.680 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.575 2.391 14.556 1.00 0.00 H new ATOM 809 N VAL A 56 0.687 2.482 10.245 1.00 0.00 N ATOM 810 CA VAL A 56 1.553 3.389 9.510 1.00 0.00 C ATOM 811 C VAL A 56 0.727 4.274 8.582 1.00 0.00 C ATOM 812 O VAL A 56 1.009 5.461 8.421 1.00 0.00 O ATOM 813 CB VAL A 56 2.592 2.613 8.676 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.594 3.561 8.038 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.304 1.581 9.534 1.00 0.00 C ATOM 0 H VAL A 56 0.791 1.501 9.985 1.00 0.00 H new ATOM 0 HA VAL A 56 2.077 4.008 10.238 1.00 0.00 H new ATOM 0 HB VAL A 56 2.064 2.092 7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.316 2.989 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.070 4.258 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.116 4.117 8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.033 1.044 8.927 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.815 2.082 10.357 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.576 0.876 9.935 1.00 0.00 H new ATOM 825 N VAL A 57 -0.306 3.681 7.990 1.00 0.00 N ATOM 826 CA VAL A 57 -1.195 4.397 7.082 1.00 0.00 C ATOM 827 C VAL A 57 -1.856 5.578 7.787 1.00 0.00 C ATOM 828 O VAL A 57 -1.865 6.693 7.266 1.00 0.00 O ATOM 829 CB VAL A 57 -2.294 3.467 6.522 1.00 0.00 C ATOM 830 CG1 VAL A 57 -3.212 4.222 5.574 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.680 2.259 5.830 1.00 0.00 C ATOM 0 H VAL A 57 -0.549 2.699 8.125 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.583 4.762 6.257 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.893 3.110 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.977 3.546 5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.688 5.045 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.630 4.617 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.473 1.619 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.050 2.593 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.077 1.698 6.544 1.00 0.00 H new ATOM 841 N VAL A 58 -2.390 5.328 8.979 1.00 0.00 N ATOM 842 CA VAL A 58 -3.059 6.366 9.755 1.00 0.00 C ATOM 843 C VAL A 58 -2.097 7.501 10.093 1.00 0.00 C ATOM 844 O VAL A 58 -2.395 8.675 9.855 1.00 0.00 O ATOM 845 CB VAL A 58 -3.664 5.798 11.057 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.333 6.896 11.868 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.659 4.690 10.745 1.00 0.00 C ATOM 0 H VAL A 58 -2.372 4.413 9.429 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.868 6.755 9.137 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.852 5.380 11.652 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.751 6.471 12.780 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.597 7.657 12.127 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.131 7.348 11.279 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.075 4.302 11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.463 5.087 10.126 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.153 3.886 10.211 1.00 0.00 H new ATOM 857 N ALA A 59 -0.930 7.142 10.618 1.00 0.00 N ATOM 858 CA ALA A 59 0.068 8.132 11.006 1.00 0.00 C ATOM 859 C ALA A 59 0.557 8.920 9.796 1.00 0.00 C ATOM 860 O ALA A 59 0.778 10.124 9.880 1.00 0.00 O ATOM 861 CB ALA A 59 1.238 7.458 11.710 1.00 0.00 C ATOM 0 H ALA A 59 -0.653 6.175 10.784 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.401 8.832 11.698 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.974 8.210 11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.879 6.947 12.603 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.699 6.734 11.038 1.00 0.00 H new ATOM 867 N ARG A 60 0.720 8.241 8.670 1.00 0.00 N ATOM 868 CA ARG A 60 1.158 8.894 7.445 1.00 0.00 C ATOM 869 C ARG A 60 0.066 9.812 6.909 1.00 0.00 C ATOM 870 O ARG A 60 0.358 10.871 6.358 1.00 0.00 O ATOM 871 CB ARG A 60 1.554 7.851 6.393 1.00 0.00 C ATOM 872 CG ARG A 60 2.018 8.437 5.066 1.00 0.00 C ATOM 873 CD ARG A 60 3.073 9.514 5.255 1.00 0.00 C ATOM 874 NE ARG A 60 4.182 9.385 4.312 1.00 0.00 N ATOM 875 CZ ARG A 60 4.160 9.798 3.047 1.00 0.00 C ATOM 876 NH1 ARG A 60 3.055 10.302 2.522 1.00 0.00 N ATOM 877 NH2 ARG A 60 5.255 9.706 2.304 1.00 0.00 N ATOM 0 H ARG A 60 0.556 7.238 8.579 1.00 0.00 H new ATOM 0 HA ARG A 60 2.034 9.502 7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.351 7.228 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.701 7.197 6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.421 7.641 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.163 8.857 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.612 10.494 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.459 9.465 6.273 1.00 0.00 H new ATOM 0 HE ARG A 60 5.038 8.945 4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.210 10.377 3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.049 10.616 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.111 9.320 2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.241 10.022 1.334 1.00 0.00 H new ATOM 891 N GLY A 61 -1.184 9.413 7.091 1.00 0.00 N ATOM 892 CA GLY A 61 -2.297 10.223 6.640 1.00 0.00 C ATOM 893 C GLY A 61 -2.337 11.574 7.322 1.00 0.00 C ATOM 894 O GLY A 61 -2.421 12.608 6.655 1.00 0.00 O ATOM 0 H GLY A 61 -1.448 8.539 7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.227 10.365 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.230 9.694 6.832 1.00 0.00 H new ATOM 898 N GLU A 62 -2.252 11.567 8.646 1.00 0.00 N ATOM 899 CA GLU A 62 -2.301 12.799 9.428 1.00 0.00 C ATOM 900 C GLU A 62 -1.004 13.596 9.295 1.00 0.00 C ATOM 901 O GLU A 62 -1.017 14.825 9.335 1.00 0.00 O ATOM 902 CB GLU A 62 -2.584 12.484 10.900 1.00 0.00 C ATOM 903 CG GLU A 62 -1.644 11.459 11.503 1.00 0.00 C ATOM 904 CD GLU A 62 -1.932 11.198 12.964 1.00 0.00 C ATOM 905 OE1 GLU A 62 -2.830 10.388 13.262 1.00 0.00 O ATOM 906 OE2 GLU A 62 -1.261 11.810 13.825 1.00 0.00 O ATOM 0 H GLU A 62 -2.148 10.719 9.204 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.112 13.412 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.518 13.406 11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.608 12.122 10.993 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.726 10.525 10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.616 11.805 11.395 1.00 0.00 H new ATOM 913 N GLN A 63 0.108 12.889 9.127 1.00 0.00 N ATOM 914 CA GLN A 63 1.418 13.526 9.011 1.00 0.00 C ATOM 915 C GLN A 63 1.576 14.236 7.670 1.00 0.00 C ATOM 916 O GLN A 63 2.030 15.379 7.609 1.00 0.00 O ATOM 917 CB GLN A 63 2.522 12.477 9.173 1.00 0.00 C ATOM 918 CG GLN A 63 3.929 13.028 9.012 1.00 0.00 C ATOM 919 CD GLN A 63 4.989 11.942 9.039 1.00 0.00 C ATOM 920 OE1 GLN A 63 6.121 12.175 9.458 1.00 0.00 O ATOM 921 NE2 GLN A 63 4.631 10.746 8.595 1.00 0.00 N ATOM 0 H GLN A 63 0.130 11.871 9.068 1.00 0.00 H new ATOM 0 HA GLN A 63 1.500 14.272 9.801 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.433 12.020 10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.367 11.686 8.440 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.996 13.572 8.070 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.128 13.744 9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.682 10.591 8.255 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.305 9.980 8.593 1.00 0.00 H new ATOM 930 N GLU A 64 1.188 13.553 6.602 1.00 0.00 N ATOM 931 CA GLU A 64 1.403 14.053 5.251 1.00 0.00 C ATOM 932 C GLU A 64 0.308 15.038 4.849 1.00 0.00 C ATOM 933 O GLU A 64 0.590 16.128 4.357 1.00 0.00 O ATOM 934 CB GLU A 64 1.449 12.876 4.272 1.00 0.00 C ATOM 935 CG GLU A 64 1.840 13.255 2.853 1.00 0.00 C ATOM 936 CD GLU A 64 3.233 13.848 2.759 1.00 0.00 C ATOM 937 OE1 GLU A 64 3.421 15.009 3.169 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.145 13.150 2.271 1.00 0.00 O ATOM 0 H GLU A 64 0.721 12.647 6.645 1.00 0.00 H new ATOM 0 HA GLU A 64 2.354 14.585 5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.157 12.136 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.470 12.398 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.784 12.371 2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.119 13.973 2.463 1.00 0.00 H new ATOM 945 N GLY A 65 -0.941 14.652 5.066 1.00 0.00 N ATOM 946 CA GLY A 65 -2.048 15.506 4.693 1.00 0.00 C ATOM 947 C GLY A 65 -3.011 14.815 3.747 1.00 0.00 C ATOM 948 O GLY A 65 -3.147 15.205 2.586 1.00 0.00 O ATOM 0 H GLY A 65 -1.207 13.764 5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.583 15.817 5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.664 16.410 4.221 1.00 0.00 H new ATOM 952 N TRP A 66 -3.664 13.771 4.239 1.00 0.00 N ATOM 953 CA TRP A 66 -4.652 13.045 3.451 1.00 0.00 C ATOM 954 C TRP A 66 -6.047 13.418 3.929 1.00 0.00 C ATOM 955 O TRP A 66 -6.207 13.956 5.025 1.00 0.00 O ATOM 956 CB TRP A 66 -4.474 11.528 3.592 1.00 0.00 C ATOM 957 CG TRP A 66 -3.119 10.996 3.218 1.00 0.00 C ATOM 958 CD1 TRP A 66 -2.047 11.691 2.733 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.700 9.628 3.304 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.988 10.839 2.521 1.00 0.00 N ATOM 961 CE2 TRP A 66 -1.369 9.565 2.860 1.00 0.00 C ATOM 962 CE3 TRP A 66 -3.332 8.450 3.715 1.00 0.00 C ATOM 963 CZ2 TRP A 66 -0.655 8.369 2.820 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -2.624 7.267 3.672 1.00 0.00 C ATOM 965 CH2 TRP A 66 -1.298 7.234 3.229 1.00 0.00 C ATOM 0 H TRP A 66 -3.527 13.407 5.182 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.516 13.317 2.404 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -4.681 11.250 4.626 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -5.222 11.033 2.973 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.033 12.754 2.544 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -0.070 11.110 2.169 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.355 8.466 4.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.369 8.340 2.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -3.102 6.351 3.986 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.771 6.292 3.210 1.00 0.00 H new ATOM 976 N ASN A 67 -7.055 13.137 3.116 1.00 0.00 N ATOM 977 CA ASN A 67 -8.431 13.315 3.555 1.00 0.00 C ATOM 978 C ASN A 67 -8.812 12.176 4.490 1.00 0.00 C ATOM 979 O ASN A 67 -8.317 11.058 4.334 1.00 0.00 O ATOM 980 CB ASN A 67 -9.409 13.361 2.373 1.00 0.00 C ATOM 981 CG ASN A 67 -9.297 14.629 1.546 1.00 0.00 C ATOM 982 OD1 ASN A 67 -8.752 15.637 1.993 1.00 0.00 O ATOM 983 ND2 ASN A 67 -9.859 14.601 0.347 1.00 0.00 N ATOM 0 H ASN A 67 -6.949 12.790 2.163 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.497 14.271 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.230 12.500 1.730 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.428 13.271 2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.849 15.435 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.301 13.746 0.011 1.00 0.00 H new ATOM 990 N PRO A 68 -9.701 12.442 5.462 1.00 0.00 N ATOM 991 CA PRO A 68 -10.135 11.446 6.446 1.00 0.00 C ATOM 992 C PRO A 68 -10.633 10.161 5.792 1.00 0.00 C ATOM 993 O PRO A 68 -10.434 9.065 6.314 1.00 0.00 O ATOM 994 CB PRO A 68 -11.286 12.139 7.193 1.00 0.00 C ATOM 995 CG PRO A 68 -11.623 13.345 6.378 1.00 0.00 C ATOM 996 CD PRO A 68 -10.356 13.736 5.682 1.00 0.00 C ATOM 0 HA PRO A 68 -9.313 11.142 7.094 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.147 11.477 7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.986 12.419 8.203 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.411 13.123 5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.987 14.155 7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.552 14.256 4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.746 14.401 6.293 1.00 0.00 H new ATOM 1004 N GLU A 69 -11.276 10.305 4.643 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.797 9.161 3.915 1.00 0.00 C ATOM 1006 C GLU A 69 -10.662 8.332 3.332 1.00 0.00 C ATOM 1007 O GLU A 69 -10.636 7.115 3.479 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.738 9.620 2.802 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.938 10.388 3.318 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.661 9.641 4.415 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -15.428 8.708 4.098 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -14.443 9.967 5.599 1.00 0.00 O ATOM 0 H GLU A 69 -11.449 11.205 4.195 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.357 8.539 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.185 10.248 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.083 8.750 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.613 11.358 3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.627 10.579 2.495 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.709 9.006 2.701 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.603 8.331 2.038 1.00 0.00 C ATOM 1021 C PHE A 70 -7.772 7.540 3.043 1.00 0.00 C ATOM 1022 O PHE A 70 -7.456 6.374 2.813 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.725 9.348 1.307 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.653 8.720 0.463 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.984 7.951 -0.639 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.318 8.899 0.774 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -6.002 7.371 -1.416 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.328 8.321 0.000 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.671 7.557 -1.097 1.00 0.00 C ATOM 0 H PHE A 70 -9.681 10.023 2.635 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.014 7.632 1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.356 9.971 0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.259 10.007 2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.023 7.803 -0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.045 9.497 1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.274 6.772 -2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.288 8.467 0.254 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.901 7.106 -1.705 1.00 0.00 H new ATOM 1039 N THR A 71 -7.448 8.176 4.163 1.00 0.00 N ATOM 1040 CA THR A 71 -6.661 7.536 5.208 1.00 0.00 C ATOM 1041 C THR A 71 -7.380 6.309 5.768 1.00 0.00 C ATOM 1042 O THR A 71 -6.776 5.246 5.941 1.00 0.00 O ATOM 1043 CB THR A 71 -6.372 8.527 6.352 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.865 9.755 5.812 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.365 7.955 7.341 1.00 0.00 C ATOM 0 H THR A 71 -7.720 9.137 4.370 1.00 0.00 H new ATOM 0 HA THR A 71 -5.720 7.216 4.761 1.00 0.00 H new ATOM 0 HB THR A 71 -7.306 8.710 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.684 10.383 6.542 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.183 8.679 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.760 7.035 7.772 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.429 7.741 6.825 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.675 6.459 6.028 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.466 5.395 6.629 1.00 0.00 C ATOM 1055 C LYS A 72 -9.588 4.198 5.689 1.00 0.00 C ATOM 1056 O LYS A 72 -9.451 3.052 6.115 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.857 5.919 6.996 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.673 4.964 7.856 1.00 0.00 C ATOM 1059 CD LYS A 72 -11.003 4.714 9.197 1.00 0.00 C ATOM 1060 CE LYS A 72 -11.907 3.937 10.140 1.00 0.00 C ATOM 1061 NZ LYS A 72 -11.270 3.727 11.467 1.00 0.00 N ATOM 0 H LYS A 72 -9.199 7.311 5.830 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.956 5.063 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.749 6.866 7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.409 6.127 6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.669 5.377 8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.802 4.018 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.076 4.161 9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.734 5.667 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.846 4.475 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.151 2.971 9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.917 3.194 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.386 3.192 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.060 4.648 11.901 1.00 0.00 H new ATOM 1075 N LYS A 73 -9.833 4.470 4.412 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.016 3.415 3.432 1.00 0.00 C ATOM 1077 C LYS A 73 -8.759 2.564 3.301 1.00 0.00 C ATOM 1078 O LYS A 73 -8.814 1.345 3.452 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.393 4.009 2.075 1.00 0.00 C ATOM 1080 CG LYS A 73 -11.717 4.752 2.077 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.083 5.239 0.685 1.00 0.00 C ATOM 1082 CE LYS A 73 -13.296 6.156 0.712 1.00 0.00 C ATOM 1083 NZ LYS A 73 -14.446 5.550 1.430 1.00 0.00 N ATOM 0 H LYS A 73 -9.909 5.415 4.035 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.827 2.774 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.605 4.691 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.438 3.207 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.503 4.097 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.658 5.602 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.236 5.769 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.288 4.383 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.026 7.097 1.192 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.593 6.392 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.306 6.103 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.583 4.572 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.256 5.550 2.453 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.625 3.214 3.050 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.365 2.500 2.848 1.00 0.00 C ATOM 1099 C VAL A 74 -6.010 1.665 4.079 1.00 0.00 C ATOM 1100 O VAL A 74 -5.548 0.525 3.961 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.199 3.465 2.531 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -3.912 2.695 2.272 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.539 4.344 1.339 1.00 0.00 C ATOM 0 H VAL A 74 -7.552 4.229 2.982 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.510 1.842 1.991 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.046 4.105 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.107 3.396 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.653 2.111 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.053 2.026 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.706 5.016 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.725 3.718 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.431 4.930 1.562 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.247 2.228 5.259 1.00 0.00 N ATOM 1114 CA ALA A 75 -5.986 1.527 6.508 1.00 0.00 C ATOM 1115 C ALA A 75 -6.889 0.306 6.641 1.00 0.00 C ATOM 1116 O ALA A 75 -6.495 -0.713 7.216 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.178 2.463 7.692 1.00 0.00 C ATOM 0 H ALA A 75 -6.620 3.170 5.375 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.951 1.186 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.979 1.924 8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.489 3.304 7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.203 2.833 7.701 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.095 0.416 6.104 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.032 -0.685 6.144 1.00 0.00 C ATOM 1125 C GLY A 76 -8.628 -1.821 5.229 1.00 0.00 C ATOM 1126 O GLY A 76 -8.839 -2.992 5.549 1.00 0.00 O ATOM 0 H GLY A 76 -8.442 1.255 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.109 -1.056 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.021 -0.327 5.859 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.050 -1.479 4.083 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.577 -2.488 3.145 1.00 0.00 C ATOM 1132 C TRP A 77 -6.384 -3.216 3.739 1.00 0.00 C ATOM 1133 O TRP A 77 -6.347 -4.445 3.769 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.179 -1.858 1.808 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.204 -0.922 1.250 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.555 -0.973 1.441 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -7.961 0.204 0.401 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.162 0.066 0.778 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.205 0.798 0.128 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -6.810 0.772 -0.151 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -9.333 1.930 -0.671 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -6.939 1.895 -0.946 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -8.190 2.464 -1.199 1.00 0.00 C ATOM 0 H TRP A 77 -7.899 -0.516 3.783 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.389 -3.192 2.963 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.241 -1.319 1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.994 -2.652 1.084 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.070 -1.720 2.027 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.163 0.260 0.771 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.838 0.342 0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -10.299 2.371 -0.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.056 2.341 -1.380 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.256 3.343 -1.824 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.424 -2.439 4.231 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.233 -2.989 4.866 1.00 0.00 C ATOM 1156 C ALA A 78 -4.619 -3.909 6.018 1.00 0.00 C ATOM 1157 O ALA A 78 -4.049 -4.985 6.183 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.333 -1.868 5.358 1.00 0.00 C ATOM 0 H ALA A 78 -5.449 -1.420 4.201 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.685 -3.575 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.447 -2.293 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.032 -1.247 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.873 -1.259 6.083 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.600 -3.470 6.801 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.164 -4.269 7.882 1.00 0.00 C ATOM 1166 C GLU A 79 -6.563 -5.662 7.394 1.00 0.00 C ATOM 1167 O GLU A 79 -6.066 -6.671 7.889 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.391 -3.547 8.451 1.00 0.00 C ATOM 1169 CG GLU A 79 -8.283 -4.410 9.330 1.00 0.00 C ATOM 1170 CD GLU A 79 -9.570 -3.709 9.701 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -10.528 -3.740 8.896 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -9.626 -3.098 10.789 1.00 0.00 O ATOM 0 H GLU A 79 -6.026 -2.549 6.703 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.407 -4.390 8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.054 -2.688 9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.985 -3.160 7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.515 -5.339 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.744 -4.680 10.238 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.444 -5.698 6.408 1.00 0.00 N ATOM 1180 CA LYS A 80 -8.015 -6.948 5.923 1.00 0.00 C ATOM 1181 C LYS A 80 -6.963 -7.832 5.259 1.00 0.00 C ATOM 1182 O LYS A 80 -6.870 -9.024 5.562 1.00 0.00 O ATOM 1183 CB LYS A 80 -9.162 -6.644 4.957 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.313 -5.913 5.630 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.389 -5.505 4.639 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.647 -5.020 5.351 1.00 0.00 C ATOM 1187 NZ LYS A 80 -12.367 -3.935 6.335 1.00 0.00 N ATOM 0 H LYS A 80 -7.783 -4.868 5.922 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.401 -7.504 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.786 -6.040 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.529 -7.577 4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.750 -6.554 6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.932 -5.026 6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.008 -4.715 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.635 -6.352 3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.362 -4.659 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.116 -5.859 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.265 -3.549 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.817 -4.320 7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.824 -3.178 5.872 1.00 0.00 H new ATOM 1201 N VAL A 81 -6.155 -7.240 4.383 1.00 0.00 N ATOM 1202 CA VAL A 81 -5.145 -7.990 3.641 1.00 0.00 C ATOM 1203 C VAL A 81 -4.069 -8.555 4.570 1.00 0.00 C ATOM 1204 O VAL A 81 -3.676 -9.716 4.438 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.475 -7.122 2.553 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -3.434 -7.920 1.780 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.516 -6.564 1.601 1.00 0.00 C ATOM 0 H VAL A 81 -6.180 -6.243 4.170 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.667 -8.817 3.160 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.972 -6.293 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.978 -7.284 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.665 -8.275 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.913 -8.773 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.025 -5.955 0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.047 -7.386 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.225 -5.950 2.156 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.605 -7.745 5.517 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.553 -8.173 6.435 1.00 0.00 C ATOM 1219 C ALA A 82 -3.088 -9.162 7.465 1.00 0.00 C ATOM 1220 O ALA A 82 -2.348 -10.011 7.961 1.00 0.00 O ATOM 1221 CB ALA A 82 -1.917 -6.977 7.129 1.00 0.00 C ATOM 0 H ALA A 82 -3.938 -6.793 5.669 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.787 -8.677 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.137 -7.322 7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.481 -6.313 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.677 -6.438 7.695 1.00 0.00 H new ATOM 1227 N SER A 83 -4.372 -9.046 7.777 1.00 0.00 N ATOM 1228 CA SER A 83 -5.023 -9.965 8.698 1.00 0.00 C ATOM 1229 C SER A 83 -5.101 -11.364 8.088 1.00 0.00 C ATOM 1230 O SER A 83 -4.980 -12.367 8.791 1.00 0.00 O ATOM 1231 CB SER A 83 -6.426 -9.454 9.043 1.00 0.00 C ATOM 1232 OG SER A 83 -7.097 -10.317 9.947 1.00 0.00 O ATOM 0 H SER A 83 -4.985 -8.321 7.403 1.00 0.00 H new ATOM 0 HA SER A 83 -4.434 -10.021 9.614 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.352 -8.458 9.479 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.012 -9.359 8.129 1.00 0.00 H new ATOM 0 HG SER A 83 -7.987 -9.957 10.144 1.00 0.00 H new ATOM 1238 N GLY A 84 -5.302 -11.427 6.776 1.00 0.00 N ATOM 1239 CA GLY A 84 -5.385 -12.709 6.105 1.00 0.00 C ATOM 1240 C GLY A 84 -6.660 -12.867 5.308 1.00 0.00 C ATOM 1241 O GLY A 84 -6.856 -13.873 4.626 1.00 0.00 O ATOM 0 H GLY A 84 -5.409 -10.615 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.529 -12.823 5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.322 -13.507 6.845 1.00 0.00 H new ATOM 1245 N ASN A 85 -7.534 -11.875 5.386 1.00 0.00 N ATOM 1246 CA ASN A 85 -8.771 -11.915 4.626 1.00 0.00 C ATOM 1247 C ASN A 85 -8.569 -11.247 3.286 1.00 0.00 C ATOM 1248 O ASN A 85 -8.488 -10.022 3.191 1.00 0.00 O ATOM 1249 CB ASN A 85 -9.921 -11.218 5.348 1.00 0.00 C ATOM 1250 CG ASN A 85 -10.089 -11.667 6.786 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -10.781 -12.649 7.067 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -9.476 -10.943 7.712 1.00 0.00 N ATOM 0 H ASN A 85 -7.411 -11.042 5.961 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.034 -12.965 4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.753 -10.141 5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.848 -11.406 4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.568 -11.191 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.912 -10.138 7.439 1.00 0.00 H new ATOM 1259 N ARG A 86 -8.453 -12.068 2.267 1.00 0.00 N ATOM 1260 CA ARG A 86 -8.365 -11.604 0.898 1.00 0.00 C ATOM 1261 C ARG A 86 -9.528 -10.674 0.560 1.00 0.00 C ATOM 1262 O ARG A 86 -10.665 -10.896 0.989 1.00 0.00 O ATOM 1263 CB ARG A 86 -8.404 -12.813 -0.020 1.00 0.00 C ATOM 1264 CG ARG A 86 -9.626 -13.673 0.237 1.00 0.00 C ATOM 1265 CD ARG A 86 -9.661 -14.885 -0.673 1.00 0.00 C ATOM 1266 NE ARG A 86 -10.909 -15.631 -0.539 1.00 0.00 N ATOM 1267 CZ ARG A 86 -11.449 -16.358 -1.513 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -10.807 -16.513 -2.665 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -12.624 -16.943 -1.327 1.00 0.00 N ATOM 0 H ARG A 86 -8.417 -13.083 2.364 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.436 -11.048 0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.404 -12.482 -1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.503 -13.409 0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.629 -13.999 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.527 -13.079 0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.538 -14.566 -1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.821 -15.539 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.396 -15.592 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.897 -16.074 -2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.224 -17.071 -3.410 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.112 -16.835 -0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.040 -17.501 -2.073 1.00 0.00 H new ATOM 1283 N ILE A 87 -9.244 -9.640 -0.204 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.284 -8.750 -0.682 1.00 0.00 C ATOM 1285 C ILE A 87 -10.234 -8.665 -2.198 1.00 0.00 C ATOM 1286 O ILE A 87 -9.263 -8.183 -2.785 1.00 0.00 O ATOM 1287 CB ILE A 87 -10.195 -7.334 -0.068 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -8.821 -6.718 -0.322 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -10.502 -7.379 1.424 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -8.644 -5.342 0.288 1.00 0.00 C ATOM 0 H ILE A 87 -8.302 -9.394 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.237 -9.172 -0.362 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.941 -6.703 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.056 -7.383 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.656 -6.652 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.435 -6.374 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.509 -7.768 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.783 -8.027 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.644 -4.971 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.385 -4.661 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.775 -5.403 1.368 1.00 0.00 H new ATOM 1302 N LEU A 88 -11.265 -9.181 -2.821 1.00 0.00 N ATOM 1303 CA LEU A 88 -11.364 -9.166 -4.270 1.00 0.00 C ATOM 1304 C LEU A 88 -11.881 -7.818 -4.742 1.00 0.00 C ATOM 1305 O LEU A 88 -12.941 -7.359 -4.310 1.00 0.00 O ATOM 1306 CB LEU A 88 -12.272 -10.294 -4.781 1.00 0.00 C ATOM 1307 CG LEU A 88 -11.655 -11.704 -4.777 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -11.455 -12.219 -3.360 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -12.528 -12.662 -5.569 1.00 0.00 C ATOM 0 H LEU A 88 -12.055 -9.621 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.367 -9.331 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.176 -10.312 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.579 -10.055 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 88 -10.675 -11.642 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -11.018 -13.217 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.787 -11.548 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.417 -12.262 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -12.080 -13.656 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.520 -12.706 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -12.611 -12.313 -6.598 1.00 0.00 H new ATOM 1321 N ILE A 89 -11.116 -7.178 -5.610 1.00 0.00 N ATOM 1322 CA ILE A 89 -11.501 -5.896 -6.167 1.00 0.00 C ATOM 1323 C ILE A 89 -12.731 -6.057 -7.049 1.00 0.00 C ATOM 1324 O ILE A 89 -13.554 -5.145 -7.152 1.00 0.00 O ATOM 1325 CB ILE A 89 -10.347 -5.278 -6.995 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -9.110 -5.080 -6.122 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -10.759 -3.954 -7.623 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -7.956 -4.446 -6.864 1.00 0.00 C ATOM 0 H ILE A 89 -10.219 -7.530 -5.945 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.731 -5.225 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.109 -5.974 -7.799 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.372 -4.456 -5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.794 -6.045 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.926 -3.548 -8.197 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.611 -4.114 -8.284 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.036 -3.250 -6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.108 -4.332 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.670 -5.081 -7.702 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.257 -3.467 -7.237 1.00 0.00 H new ATOM 1340 N LYS A 90 -12.847 -7.239 -7.675 1.00 0.00 N ATOM 1341 CA LYS A 90 -13.939 -7.532 -8.608 1.00 0.00 C ATOM 1342 C LYS A 90 -13.861 -6.580 -9.796 1.00 0.00 C ATOM 1343 O LYS A 90 -14.828 -6.357 -10.524 1.00 0.00 O ATOM 1344 CB LYS A 90 -15.292 -7.437 -7.895 1.00 0.00 C ATOM 1345 CG LYS A 90 -15.415 -8.409 -6.729 1.00 0.00 C ATOM 1346 CD LYS A 90 -16.677 -8.179 -5.905 1.00 0.00 C ATOM 1347 CE LYS A 90 -17.933 -8.716 -6.583 1.00 0.00 C ATOM 1348 NZ LYS A 90 -18.307 -7.938 -7.793 1.00 0.00 N ATOM 0 H LYS A 90 -12.191 -8.010 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.839 -8.552 -8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -15.435 -6.420 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -16.090 -7.634 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -15.416 -9.430 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.542 -8.310 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.562 -8.657 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.797 -7.111 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.774 -9.758 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -18.760 -8.697 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -19.342 -7.854 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.885 -6.989 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.956 -8.426 -8.642 1.00 0.00 H new ATOM 1362 N ASN A 91 -12.662 -6.052 -9.972 1.00 0.00 N ATOM 1363 CA ASN A 91 -12.325 -5.089 -11.003 1.00 0.00 C ATOM 1364 C ASN A 91 -10.856 -5.351 -11.369 1.00 0.00 C ATOM 1365 O ASN A 91 -10.390 -6.461 -11.121 1.00 0.00 O ATOM 1366 CB ASN A 91 -12.533 -3.659 -10.464 1.00 0.00 C ATOM 1367 CG ASN A 91 -13.989 -3.277 -10.296 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -14.632 -2.810 -11.235 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -14.511 -3.452 -9.093 1.00 0.00 N ATOM 0 H ASN A 91 -11.868 -6.292 -9.378 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.957 -5.189 -11.885 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.029 -3.566 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -12.057 -2.952 -11.143 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -15.483 -3.196 -8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.942 -3.843 -8.342 1.00 0.00 H new ATOM 1376 N PRO A 92 -10.120 -4.397 -11.995 1.00 0.00 N ATOM 1377 CA PRO A 92 -8.659 -4.486 -12.147 1.00 0.00 C ATOM 1378 C PRO A 92 -7.928 -4.953 -10.891 1.00 0.00 C ATOM 1379 O PRO A 92 -7.507 -4.148 -10.058 1.00 0.00 O ATOM 1380 CB PRO A 92 -8.272 -3.049 -12.460 1.00 0.00 C ATOM 1381 CG PRO A 92 -9.414 -2.548 -13.263 1.00 0.00 C ATOM 1382 CD PRO A 92 -10.637 -3.194 -12.668 1.00 0.00 C ATOM 0 HA PRO A 92 -8.386 -5.221 -12.904 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.134 -2.464 -11.551 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.337 -2.998 -13.017 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.481 -1.461 -13.215 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.302 -2.814 -14.314 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.137 -2.528 -11.964 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -11.366 -3.450 -13.437 1.00 0.00 H new ATOM 1390 N GLU A 93 -7.825 -6.262 -10.755 1.00 0.00 N ATOM 1391 CA GLU A 93 -7.035 -6.878 -9.698 1.00 0.00 C ATOM 1392 C GLU A 93 -5.562 -6.542 -9.857 1.00 0.00 C ATOM 1393 O GLU A 93 -4.989 -6.702 -10.939 1.00 0.00 O ATOM 1394 CB GLU A 93 -7.228 -8.399 -9.690 1.00 0.00 C ATOM 1395 CG GLU A 93 -8.338 -8.880 -8.772 1.00 0.00 C ATOM 1396 CD GLU A 93 -7.996 -8.693 -7.308 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -6.844 -8.980 -6.918 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -8.873 -8.262 -6.538 1.00 0.00 O ATOM 0 H GLU A 93 -8.285 -6.931 -11.373 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.383 -6.477 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.441 -8.732 -10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.293 -8.871 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.256 -8.338 -9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.534 -9.935 -8.965 1.00 0.00 H new ATOM 1405 N TYR A 94 -4.968 -6.085 -8.758 1.00 0.00 N ATOM 1406 CA TYR A 94 -3.579 -5.645 -8.725 1.00 0.00 C ATOM 1407 C TYR A 94 -3.376 -4.414 -9.603 1.00 0.00 C ATOM 1408 O TYR A 94 -3.603 -3.285 -9.169 1.00 0.00 O ATOM 1409 CB TYR A 94 -2.612 -6.761 -9.162 1.00 0.00 C ATOM 1410 CG TYR A 94 -2.582 -7.967 -8.248 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -3.453 -9.034 -8.437 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -1.668 -8.048 -7.206 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -3.415 -10.143 -7.614 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -1.621 -9.157 -6.381 1.00 0.00 C ATOM 1415 CZ TYR A 94 -2.498 -10.201 -6.588 1.00 0.00 C ATOM 1416 OH TYR A 94 -2.452 -11.307 -5.772 1.00 0.00 O ATOM 0 H TYR A 94 -5.443 -6.010 -7.858 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.354 -5.387 -7.690 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.887 -7.089 -10.165 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.606 -6.346 -9.227 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.172 -8.995 -9.242 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.982 -7.231 -7.037 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.102 -10.961 -7.775 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.900 -9.205 -5.578 1.00 0.00 H new ATOM 0 HH TYR A 94 -1.749 -11.189 -5.100 1.00 0.00 H new ATOM 1426 N PHE A 95 -2.993 -4.663 -10.850 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.585 -3.629 -11.796 1.00 0.00 C ATOM 1428 C PHE A 95 -1.978 -4.290 -13.029 1.00 0.00 C ATOM 1429 O PHE A 95 -2.262 -5.456 -13.313 1.00 0.00 O ATOM 1430 CB PHE A 95 -1.572 -2.646 -11.170 1.00 0.00 C ATOM 1431 CG PHE A 95 -0.510 -3.277 -10.296 1.00 0.00 C ATOM 1432 CD1 PHE A 95 0.264 -4.335 -10.744 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -0.287 -2.790 -9.016 1.00 0.00 C ATOM 1434 CE1 PHE A 95 1.234 -4.894 -9.936 1.00 0.00 C ATOM 1435 CE2 PHE A 95 0.681 -3.344 -8.206 1.00 0.00 C ATOM 1436 CZ PHE A 95 1.446 -4.397 -8.666 1.00 0.00 C ATOM 0 H PHE A 95 -2.956 -5.605 -11.239 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.467 -3.053 -12.075 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.079 -2.098 -11.973 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.120 -1.915 -10.576 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.107 -4.727 -11.738 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.880 -1.965 -8.649 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.827 -5.721 -10.298 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.841 -2.954 -7.212 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.207 -4.830 -8.034 1.00 0.00 H new ATOM 1446 N SER A 96 -1.152 -3.553 -13.757 1.00 0.00 N ATOM 1447 CA SER A 96 -0.470 -4.103 -14.912 1.00 0.00 C ATOM 1448 C SER A 96 1.020 -4.288 -14.602 1.00 0.00 C ATOM 1449 O SER A 96 1.470 -4.023 -13.483 1.00 0.00 O ATOM 1450 CB SER A 96 -0.673 -3.199 -16.130 1.00 0.00 C ATOM 1451 OG SER A 96 -0.245 -3.835 -17.324 1.00 0.00 O ATOM 0 H SER A 96 -0.940 -2.574 -13.566 1.00 0.00 H new ATOM 0 HA SER A 96 -0.894 -5.080 -15.145 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.726 -2.932 -16.216 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.119 -2.270 -15.992 1.00 0.00 H new ATOM 0 HG SER A 96 0.395 -3.258 -17.790 1.00 0.00 H new ATOM 1457 N THR A 97 1.779 -4.704 -15.604 1.00 0.00 N ATOM 1458 CA THR A 97 3.145 -5.179 -15.417 1.00 0.00 C ATOM 1459 C THR A 97 4.097 -4.156 -14.788 1.00 0.00 C ATOM 1460 O THR A 97 4.892 -4.518 -13.924 1.00 0.00 O ATOM 1461 CB THR A 97 3.724 -5.662 -16.757 1.00 0.00 C ATOM 1462 OG1 THR A 97 3.168 -4.897 -17.838 1.00 0.00 O ATOM 1463 CG2 THR A 97 3.429 -7.136 -16.962 1.00 0.00 C ATOM 0 H THR A 97 1.465 -4.722 -16.574 1.00 0.00 H new ATOM 0 HA THR A 97 3.071 -6.000 -14.704 1.00 0.00 H new ATOM 0 HB THR A 97 4.805 -5.521 -16.739 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.543 -5.210 -18.687 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.846 -7.461 -17.915 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.878 -7.713 -16.154 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.351 -7.294 -16.965 1.00 0.00 H new ATOM 1471 N TYR A 98 4.004 -2.890 -15.201 1.00 0.00 N ATOM 1472 CA TYR A 98 5.006 -1.875 -14.829 1.00 0.00 C ATOM 1473 C TYR A 98 5.237 -1.779 -13.323 1.00 0.00 C ATOM 1474 O TYR A 98 6.378 -1.757 -12.869 1.00 0.00 O ATOM 1475 CB TYR A 98 4.666 -0.491 -15.366 1.00 0.00 C ATOM 1476 CG TYR A 98 3.255 -0.353 -15.811 1.00 0.00 C ATOM 1477 CD1 TYR A 98 2.858 -0.913 -17.002 1.00 0.00 C ATOM 1478 CD2 TYR A 98 2.327 0.321 -15.044 1.00 0.00 C ATOM 1479 CE1 TYR A 98 1.567 -0.812 -17.431 1.00 0.00 C ATOM 1480 CE2 TYR A 98 1.024 0.433 -15.461 1.00 0.00 C ATOM 1481 CZ TYR A 98 0.641 -0.134 -16.658 1.00 0.00 C ATOM 1482 OH TYR A 98 -0.664 -0.027 -17.077 1.00 0.00 O ATOM 0 H TYR A 98 3.250 -2.539 -15.791 1.00 0.00 H new ATOM 0 HA TYR A 98 5.927 -2.222 -15.297 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.867 0.249 -14.592 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.326 -0.264 -16.203 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.580 -1.441 -17.608 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.629 0.765 -14.107 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.269 -1.259 -18.368 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.303 0.962 -14.855 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.180 0.479 -16.415 1.00 0.00 H new ATOM 1492 N MET A 99 4.157 -1.717 -12.551 1.00 0.00 N ATOM 1493 CA MET A 99 4.271 -1.573 -11.102 1.00 0.00 C ATOM 1494 C MET A 99 4.927 -2.804 -10.497 1.00 0.00 C ATOM 1495 O MET A 99 5.824 -2.697 -9.662 1.00 0.00 O ATOM 1496 CB MET A 99 2.903 -1.349 -10.467 1.00 0.00 C ATOM 1497 CG MET A 99 2.296 0.005 -10.781 1.00 0.00 C ATOM 1498 SD MET A 99 0.698 0.230 -9.993 1.00 0.00 S ATOM 1499 CE MET A 99 0.298 1.893 -10.502 1.00 0.00 C ATOM 0 H MET A 99 3.200 -1.764 -12.900 1.00 0.00 H new ATOM 0 HA MET A 99 4.893 -0.702 -10.899 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.223 -2.129 -10.808 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.993 -1.454 -9.386 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.976 0.791 -10.452 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.185 0.110 -11.860 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.289 2.381 -9.723 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.218 2.454 -10.668 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.280 1.862 -11.426 1.00 0.00 H new ATOM 1509 N GLN A 100 4.473 -3.967 -10.941 1.00 0.00 N ATOM 1510 CA GLN A 100 5.046 -5.236 -10.515 1.00 0.00 C ATOM 1511 C GLN A 100 6.532 -5.272 -10.866 1.00 0.00 C ATOM 1512 O GLN A 100 7.370 -5.640 -10.045 1.00 0.00 O ATOM 1513 CB GLN A 100 4.277 -6.392 -11.184 1.00 0.00 C ATOM 1514 CG GLN A 100 4.775 -7.789 -10.835 1.00 0.00 C ATOM 1515 CD GLN A 100 5.943 -8.238 -11.694 1.00 0.00 C ATOM 1516 OE1 GLN A 100 6.802 -8.994 -11.243 1.00 0.00 O ATOM 1517 NE2 GLN A 100 5.972 -7.785 -12.938 1.00 0.00 N ATOM 0 H GLN A 100 3.702 -4.058 -11.603 1.00 0.00 H new ATOM 0 HA GLN A 100 4.955 -5.347 -9.434 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.226 -6.318 -10.905 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.329 -6.264 -12.265 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.074 -7.810 -9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.955 -8.499 -10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.238 -7.159 -13.270 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.728 -8.062 -13.564 1.00 0.00 H new ATOM 1526 N GLU A 101 6.839 -4.853 -12.086 1.00 0.00 N ATOM 1527 CA GLU A 101 8.209 -4.787 -12.569 1.00 0.00 C ATOM 1528 C GLU A 101 9.059 -3.848 -11.712 1.00 0.00 C ATOM 1529 O GLU A 101 10.188 -4.177 -11.350 1.00 0.00 O ATOM 1530 CB GLU A 101 8.221 -4.321 -14.029 1.00 0.00 C ATOM 1531 CG GLU A 101 7.799 -5.400 -15.008 1.00 0.00 C ATOM 1532 CD GLU A 101 8.659 -6.640 -14.902 1.00 0.00 C ATOM 1533 OE1 GLU A 101 9.883 -6.540 -15.120 1.00 0.00 O ATOM 1534 OE2 GLU A 101 8.117 -7.719 -14.586 1.00 0.00 O ATOM 0 H GLU A 101 6.144 -4.549 -12.768 1.00 0.00 H new ATOM 0 HA GLU A 101 8.642 -5.785 -12.500 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.556 -3.464 -14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.224 -3.980 -14.286 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.758 -5.666 -14.825 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.854 -5.008 -16.024 1.00 0.00 H new ATOM 1541 N GLN A 102 8.502 -2.686 -11.393 1.00 0.00 N ATOM 1542 CA GLN A 102 9.212 -1.670 -10.619 1.00 0.00 C ATOM 1543 C GLN A 102 9.522 -2.155 -9.210 1.00 0.00 C ATOM 1544 O GLN A 102 10.679 -2.176 -8.782 1.00 0.00 O ATOM 1545 CB GLN A 102 8.369 -0.400 -10.539 1.00 0.00 C ATOM 1546 CG GLN A 102 9.087 0.771 -9.890 1.00 0.00 C ATOM 1547 CD GLN A 102 10.395 1.111 -10.579 1.00 0.00 C ATOM 1548 OE1 GLN A 102 10.432 1.908 -11.515 1.00 0.00 O ATOM 1549 NE2 GLN A 102 11.475 0.501 -10.119 1.00 0.00 N ATOM 0 H GLN A 102 7.554 -2.421 -11.660 1.00 0.00 H new ATOM 0 HA GLN A 102 10.155 -1.464 -11.126 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.063 -0.114 -11.545 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.459 -0.613 -9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.435 1.645 -9.905 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.283 0.537 -8.844 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.398 -0.153 -9.340 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.384 0.685 -10.543 1.00 0.00 H new ATOM 1558 N LEU A 103 8.474 -2.527 -8.497 1.00 0.00 N ATOM 1559 CA LEU A 103 8.591 -2.953 -7.107 1.00 0.00 C ATOM 1560 C LEU A 103 9.516 -4.159 -6.962 1.00 0.00 C ATOM 1561 O LEU A 103 10.405 -4.170 -6.105 1.00 0.00 O ATOM 1562 CB LEU A 103 7.207 -3.276 -6.530 1.00 0.00 C ATOM 1563 CG LEU A 103 6.228 -2.098 -6.501 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.887 -2.532 -5.933 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.800 -0.946 -5.688 1.00 0.00 C ATOM 0 H LEU A 103 7.521 -2.544 -8.860 1.00 0.00 H new ATOM 0 HA LEU A 103 9.030 -2.128 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.765 -4.082 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.332 -3.651 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 103 6.075 -1.756 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.205 -1.682 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.468 -3.324 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.025 -2.902 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.090 -0.119 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.983 -1.278 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.737 -0.615 -6.136 1.00 0.00 H new ATOM 1577 N LYS A 104 9.328 -5.159 -7.814 1.00 0.00 N ATOM 1578 CA LYS A 104 10.113 -6.382 -7.718 1.00 0.00 C ATOM 1579 C LYS A 104 11.584 -6.104 -8.009 1.00 0.00 C ATOM 1580 O LYS A 104 12.463 -6.709 -7.403 1.00 0.00 O ATOM 1581 CB LYS A 104 9.585 -7.450 -8.674 1.00 0.00 C ATOM 1582 CG LYS A 104 10.081 -8.845 -8.343 1.00 0.00 C ATOM 1583 CD LYS A 104 9.583 -9.872 -9.342 1.00 0.00 C ATOM 1584 CE LYS A 104 9.789 -11.292 -8.832 1.00 0.00 C ATOM 1585 NZ LYS A 104 11.218 -11.601 -8.557 1.00 0.00 N ATOM 0 H LYS A 104 8.646 -5.148 -8.572 1.00 0.00 H new ATOM 0 HA LYS A 104 10.021 -6.755 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.495 -7.443 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.883 -7.197 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.171 -8.850 -8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.749 -9.121 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.524 -9.705 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.108 -9.745 -10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.209 -11.434 -7.920 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.404 -11.998 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.315 -12.607 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.787 -11.396 -9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.553 -11.017 -7.765 1.00 0.00 H new ATOM 1599 N GLU A 105 11.847 -5.177 -8.927 1.00 0.00 N ATOM 1600 CA GLU A 105 13.219 -4.803 -9.265 1.00 0.00 C ATOM 1601 C GLU A 105 13.913 -4.154 -8.073 1.00 0.00 C ATOM 1602 O GLU A 105 15.092 -4.396 -7.824 1.00 0.00 O ATOM 1603 CB GLU A 105 13.248 -3.849 -10.459 1.00 0.00 C ATOM 1604 CG GLU A 105 14.644 -3.357 -10.800 1.00 0.00 C ATOM 1605 CD GLU A 105 14.658 -2.389 -11.959 1.00 0.00 C ATOM 1606 OE1 GLU A 105 14.192 -1.245 -11.789 1.00 0.00 O ATOM 1607 OE2 GLU A 105 15.147 -2.765 -13.044 1.00 0.00 O ATOM 0 H GLU A 105 11.131 -4.672 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 105 13.753 -5.715 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.825 -4.353 -11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.610 -2.991 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.078 -2.874 -9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.277 -4.212 -11.039 1.00 0.00 H new ATOM 1614 N LEU A 106 13.170 -3.340 -7.335 1.00 0.00 N ATOM 1615 CA LEU A 106 13.723 -2.656 -6.174 1.00 0.00 C ATOM 1616 C LEU A 106 14.147 -3.669 -5.115 1.00 0.00 C ATOM 1617 O LEU A 106 15.130 -3.468 -4.404 1.00 0.00 O ATOM 1618 CB LEU A 106 12.709 -1.665 -5.596 1.00 0.00 C ATOM 1619 CG LEU A 106 13.230 -0.792 -4.449 1.00 0.00 C ATOM 1620 CD1 LEU A 106 14.399 0.065 -4.917 1.00 0.00 C ATOM 1621 CD2 LEU A 106 12.116 0.084 -3.898 1.00 0.00 C ATOM 0 H LEU A 106 12.187 -3.138 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 106 14.603 -2.096 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.363 -1.014 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.842 -2.222 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 106 13.581 -1.447 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.755 0.678 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.206 -0.579 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.073 0.711 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.504 0.697 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.736 0.730 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.309 -0.546 -3.524 1.00 0.00 H new ATOM 1633 N VAL A 107 13.401 -4.763 -5.023 1.00 0.00 N ATOM 1634 CA VAL A 107 13.740 -5.842 -4.102 1.00 0.00 C ATOM 1635 C VAL A 107 14.860 -6.715 -4.675 1.00 0.00 C ATOM 1636 O VAL A 107 15.866 -6.970 -4.007 1.00 0.00 O ATOM 1637 CB VAL A 107 12.512 -6.725 -3.792 1.00 0.00 C ATOM 1638 CG1 VAL A 107 12.867 -7.807 -2.780 1.00 0.00 C ATOM 1639 CG2 VAL A 107 11.348 -5.880 -3.292 1.00 0.00 C ATOM 0 H VAL A 107 12.558 -4.927 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 107 14.081 -5.379 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 107 12.204 -7.212 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 107 11.987 -8.417 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.660 -8.437 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 107 13.208 -7.342 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.495 -6.525 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 107 11.642 -5.357 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.072 -5.152 -4.055 1.00 0.00 H new ATOM 1649 N LEU A 108 14.678 -7.155 -5.918 1.00 0.00 N ATOM 1650 CA LEU A 108 15.623 -8.046 -6.585 1.00 0.00 C ATOM 1651 C LEU A 108 17.003 -7.410 -6.696 1.00 0.00 C ATOM 1652 O LEU A 108 17.981 -7.914 -6.139 1.00 0.00 O ATOM 1653 CB LEU A 108 15.117 -8.393 -7.987 1.00 0.00 C ATOM 1654 CG LEU A 108 15.987 -9.372 -8.777 1.00 0.00 C ATOM 1655 CD1 LEU A 108 16.052 -10.722 -8.080 1.00 0.00 C ATOM 1656 CD2 LEU A 108 15.464 -9.526 -10.198 1.00 0.00 C ATOM 0 H LEU A 108 13.872 -6.904 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 108 15.704 -8.951 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.115 -8.814 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.026 -7.470 -8.560 1.00 0.00 H new ATOM 0 HG LEU A 108 16.998 -8.967 -8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 108 16.676 -11.401 -8.660 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.479 -10.598 -7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.047 -11.136 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.096 -10.226 -10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.442 -9.905 -10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.479 -8.558 -10.698 1.00 0.00 H new ATOM 1668 N GLU A 109 17.070 -6.300 -7.418 1.00 0.00 N ATOM 1669 CA GLU A 109 18.330 -5.630 -7.667 1.00 0.00 C ATOM 1670 C GLU A 109 18.813 -4.973 -6.381 1.00 0.00 C ATOM 1671 O GLU A 109 19.884 -5.313 -5.871 1.00 0.00 O ATOM 1672 CB GLU A 109 18.166 -4.594 -8.784 1.00 0.00 C ATOM 1673 CG GLU A 109 19.478 -4.198 -9.435 1.00 0.00 C ATOM 1674 CD GLU A 109 19.301 -3.188 -10.553 1.00 0.00 C ATOM 1675 OE1 GLU A 109 18.821 -3.572 -11.643 1.00 0.00 O ATOM 1676 OE2 GLU A 109 19.651 -2.006 -10.355 1.00 0.00 O ATOM 0 H GLU A 109 16.261 -5.846 -7.841 1.00 0.00 H new ATOM 0 HA GLU A 109 19.074 -6.358 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.497 -4.995 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.688 -3.703 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 109 20.142 -3.782 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 109 19.965 -5.089 -9.831 1.00 0.00 H new ATOM 1683 N HIS A 110 17.991 -4.054 -5.856 1.00 0.00 N ATOM 1684 CA HIS A 110 18.241 -3.378 -4.574 1.00 0.00 C ATOM 1685 C HIS A 110 19.440 -2.430 -4.662 1.00 0.00 C ATOM 1686 O HIS A 110 19.317 -1.232 -4.415 1.00 0.00 O ATOM 1687 CB HIS A 110 18.445 -4.418 -3.463 1.00 0.00 C ATOM 1688 CG HIS A 110 18.461 -3.854 -2.073 1.00 0.00 C ATOM 1689 ND1 HIS A 110 18.916 -4.565 -0.983 1.00 0.00 N ATOM 1690 CD2 HIS A 110 18.065 -2.652 -1.595 1.00 0.00 C ATOM 1691 CE1 HIS A 110 18.802 -3.823 0.102 1.00 0.00 C ATOM 1692 NE2 HIS A 110 18.289 -2.656 -0.239 1.00 0.00 N ATOM 0 H HIS A 110 17.128 -3.756 -6.311 1.00 0.00 H new ATOM 0 HA HIS A 110 17.368 -2.772 -4.333 1.00 0.00 H new ATOM 0 HB2 HIS A 110 17.651 -5.162 -3.530 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.386 -4.939 -3.640 1.00 0.00 H new ATOM 0 HD2 HIS A 110 17.650 -1.839 -2.172 1.00 0.00 H new ATOM 0 HE1 HIS A 110 19.082 -4.121 1.102 1.00 0.00 H new ATOM 0 HE2 HIS A 110 18.091 -1.885 0.398 1.00 0.00 H new