USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 24 ASN : amide:sc= -5.03! C(o=-5.1!,f=-5.2!) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.0533 X(o=-5.1,f=-5.2!) USER MOD Set 2.1: A 59 ASN : amide:sc= -2.46! C(o=-3.1!,f=-2!) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.607 X(o=-3.1,f=-3.4!) USER MOD Single : A 16 SER OG : rot 139:sc= -4.21! USER MOD Single : A 22 ASN : amide:sc= 0.513 K(o=0.51,f=-0.44) USER MOD Single : A 25 THR OG1 : rot -89:sc= -0.202 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.588) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.797 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 41:sc= -1.21! USER MOD Single : A 47 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 49 HIS : no HD1:sc= -0.326 K(o=-0.33,f=-0.97) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= -0.0193 (180deg=-0.254) USER MOD Single : A 56 GLN : amide:sc= -3.83 K(o=-3.8,f=-5.8!) USER MOD Single : A 57 TYR OH : rot -172:sc= -3.07 USER MOD Single : A 74 MET CE :methyl 150:sc= 0 (180deg=-1.55!) USER MOD Single : A 83 ASN : amide:sc= -2.62! C(o=-2.6!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 194 N SER A 16 9.221 -0.527 6.192 1.00 0.00 N ATOM 195 CA SER A 16 8.301 0.351 5.489 1.00 0.00 C ATOM 196 C SER A 16 7.495 -0.449 4.463 1.00 0.00 C ATOM 197 O SER A 16 8.028 -0.858 3.433 1.00 0.00 O ATOM 198 CB SER A 16 9.049 1.495 4.802 1.00 0.00 C ATOM 199 OG SER A 16 8.158 2.414 4.175 1.00 0.00 O ATOM 0 HA SER A 16 7.618 0.786 6.218 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.657 2.023 5.536 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.732 1.086 4.057 1.00 0.00 H new ATOM 0 HG SER A 16 8.470 3.330 4.330 1.00 0.00 H new ATOM 205 N ARG A 17 6.224 -0.647 4.780 1.00 0.00 N ATOM 206 CA ARG A 17 5.340 -1.390 3.899 1.00 0.00 C ATOM 207 C ARG A 17 3.951 -0.749 3.877 1.00 0.00 C ATOM 208 O ARG A 17 3.384 -0.451 4.927 1.00 0.00 O ATOM 209 CB ARG A 17 5.214 -2.848 4.346 1.00 0.00 C ATOM 210 CG ARG A 17 5.483 -3.804 3.182 1.00 0.00 C ATOM 211 CD ARG A 17 4.896 -5.188 3.463 1.00 0.00 C ATOM 212 NE ARG A 17 5.958 -6.215 3.379 1.00 0.00 N ATOM 213 CZ ARG A 17 6.826 -6.481 4.364 1.00 0.00 C ATOM 214 NH1 ARG A 17 6.764 -5.796 5.514 1.00 0.00 N ATOM 215 NH2 ARG A 17 7.757 -7.430 4.199 1.00 0.00 N ATOM 0 H ARG A 17 5.785 -0.306 5.635 1.00 0.00 H new ATOM 0 HA ARG A 17 5.772 -1.365 2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.918 -3.046 5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.215 -3.025 4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.049 -3.400 2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.557 -3.887 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.440 -5.205 4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.107 -5.410 2.745 1.00 0.00 H new ATOM 0 HE ARG A 17 6.034 -6.754 2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.056 -5.072 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.425 -5.998 6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.805 -7.950 3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.418 -7.632 4.949 1.00 0.00 H new ATOM 229 N VAL A 18 3.443 -0.556 2.668 1.00 0.00 N ATOM 230 CA VAL A 18 2.131 0.044 2.496 1.00 0.00 C ATOM 231 C VAL A 18 1.191 -0.973 1.846 1.00 0.00 C ATOM 232 O VAL A 18 1.547 -1.608 0.855 1.00 0.00 O ATOM 233 CB VAL A 18 2.251 1.343 1.696 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.883 2.006 1.518 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.243 2.303 2.355 1.00 0.00 C ATOM 0 H VAL A 18 3.916 -0.804 1.799 1.00 0.00 H new ATOM 0 HA VAL A 18 1.703 0.311 3.462 1.00 0.00 H new ATOM 0 HB VAL A 18 2.634 1.093 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.997 2.927 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.217 1.328 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.460 2.236 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.310 3.218 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.902 2.543 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.225 1.833 2.407 1.00 0.00 H new ATOM 245 N PHE A 19 0.009 -1.096 2.432 1.00 0.00 N ATOM 246 CA PHE A 19 -0.985 -2.026 1.922 1.00 0.00 C ATOM 247 C PHE A 19 -2.055 -1.294 1.109 1.00 0.00 C ATOM 248 O PHE A 19 -2.952 -0.670 1.676 1.00 0.00 O ATOM 249 CB PHE A 19 -1.645 -2.684 3.135 1.00 0.00 C ATOM 250 CG PHE A 19 -3.027 -3.274 2.848 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.264 -3.910 1.669 1.00 0.00 C ATOM 252 CD2 PHE A 19 -4.020 -3.163 3.771 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.547 -4.457 1.403 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.302 -3.710 3.505 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.539 -4.346 2.326 1.00 0.00 C ATOM 0 H PHE A 19 -0.283 -0.568 3.254 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.509 -2.758 1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.993 -3.475 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.735 -1.946 3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.476 -3.999 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.832 -2.658 4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.735 -4.962 0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.090 -3.621 4.239 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.515 -4.762 2.123 1.00 0.00 H new ATOM 265 N ILE A 20 -1.925 -1.393 -0.205 1.00 0.00 N ATOM 266 CA ILE A 20 -2.869 -0.748 -1.102 1.00 0.00 C ATOM 267 C ILE A 20 -4.042 -1.695 -1.368 1.00 0.00 C ATOM 268 O ILE A 20 -3.849 -2.803 -1.866 1.00 0.00 O ATOM 269 CB ILE A 20 -2.163 -0.273 -2.373 1.00 0.00 C ATOM 270 CG1 ILE A 20 -0.958 0.607 -2.034 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.141 0.433 -3.313 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.346 -0.045 -2.498 1.00 0.00 C ATOM 0 H ILE A 20 -1.180 -1.911 -0.671 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.281 0.149 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.785 -1.149 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.070 1.582 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.920 0.779 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.613 0.760 -4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.938 -0.256 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.570 1.298 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.186 0.601 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.467 -1.009 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.315 -0.193 -3.577 1.00 0.00 H new ATOM 284 N GLY A 21 -5.231 -1.223 -1.023 1.00 0.00 N ATOM 285 CA GLY A 21 -6.435 -2.014 -1.218 1.00 0.00 C ATOM 286 C GLY A 21 -7.381 -1.336 -2.210 1.00 0.00 C ATOM 287 O GLY A 21 -7.116 -0.225 -2.667 1.00 0.00 O ATOM 0 H GLY A 21 -5.387 -0.303 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.168 -3.005 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.942 -2.153 -0.263 1.00 0.00 H new ATOM 291 N ASN A 22 -8.466 -2.032 -2.515 1.00 0.00 N ATOM 292 CA ASN A 22 -9.454 -1.511 -3.445 1.00 0.00 C ATOM 293 C ASN A 22 -8.740 -0.926 -4.665 1.00 0.00 C ATOM 294 O ASN A 22 -9.181 0.076 -5.225 1.00 0.00 O ATOM 295 CB ASN A 22 -10.282 -0.397 -2.802 1.00 0.00 C ATOM 296 CG ASN A 22 -11.779 -0.679 -2.936 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.243 -1.797 -2.779 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.507 0.393 -3.235 1.00 0.00 N ATOM 0 H ASN A 22 -8.683 -2.953 -2.134 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.113 -2.330 -3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.019 -0.305 -1.748 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.044 0.556 -3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.517 0.308 -3.347 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.055 1.300 -3.353 1.00 0.00 H new ATOM 305 N LEU A 23 -7.649 -1.577 -5.041 1.00 0.00 N ATOM 306 CA LEU A 23 -6.870 -1.133 -6.185 1.00 0.00 C ATOM 307 C LEU A 23 -7.436 -1.766 -7.458 1.00 0.00 C ATOM 308 O LEU A 23 -7.369 -2.981 -7.635 1.00 0.00 O ATOM 309 CB LEU A 23 -5.384 -1.420 -5.965 1.00 0.00 C ATOM 310 CG LEU A 23 -4.414 -0.691 -6.897 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.123 -1.491 -7.080 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.081 -0.365 -8.235 1.00 0.00 C ATOM 0 H LEU A 23 -7.286 -2.408 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.948 -0.052 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.133 -1.160 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.222 -2.493 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.142 0.257 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.451 -0.950 -7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.640 -1.629 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.356 -2.465 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.370 0.153 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.401 -1.289 -8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.948 0.274 -8.064 1.00 0.00 H new ATOM 324 N ASN A 24 -7.982 -0.912 -8.312 1.00 0.00 N ATOM 325 CA ASN A 24 -8.559 -1.372 -9.564 1.00 0.00 C ATOM 326 C ASN A 24 -7.444 -1.889 -10.475 1.00 0.00 C ATOM 327 O ASN A 24 -7.016 -1.194 -11.395 1.00 0.00 O ATOM 328 CB ASN A 24 -9.274 -0.232 -10.292 1.00 0.00 C ATOM 329 CG ASN A 24 -10.608 -0.704 -10.873 1.00 0.00 C ATOM 330 OD1 ASN A 24 -11.678 -0.349 -10.406 1.00 0.00 O ATOM 331 ND2 ASN A 24 -10.486 -1.522 -11.914 1.00 0.00 N ATOM 0 H ASN A 24 -8.037 0.095 -8.162 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.276 -2.160 -9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.446 0.594 -9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.639 0.148 -11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.319 -1.892 -12.372 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.560 -1.779 -12.255 1.00 0.00 H new ATOM 338 N THR A 25 -7.006 -3.106 -10.188 1.00 0.00 N ATOM 339 CA THR A 25 -5.949 -3.725 -10.970 1.00 0.00 C ATOM 340 C THR A 25 -6.480 -4.153 -12.340 1.00 0.00 C ATOM 341 O THR A 25 -5.751 -4.741 -13.136 1.00 0.00 O ATOM 342 CB THR A 25 -5.373 -4.883 -10.153 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.427 -5.841 -10.116 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.155 -4.513 -8.685 1.00 0.00 C ATOM 0 H THR A 25 -7.364 -3.680 -9.425 1.00 0.00 H new ATOM 0 HA THR A 25 -5.143 -3.020 -11.174 1.00 0.00 H new ATOM 0 HB THR A 25 -4.427 -5.200 -10.592 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.001 -5.667 -9.341 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.745 -5.370 -8.151 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.458 -3.678 -8.620 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.107 -4.227 -8.237 1.00 0.00 H new ATOM 352 N LEU A 26 -7.747 -3.841 -12.571 1.00 0.00 N ATOM 353 CA LEU A 26 -8.384 -4.186 -13.831 1.00 0.00 C ATOM 354 C LEU A 26 -8.196 -3.037 -14.824 1.00 0.00 C ATOM 355 O LEU A 26 -8.514 -3.174 -16.004 1.00 0.00 O ATOM 356 CB LEU A 26 -9.848 -4.569 -13.604 1.00 0.00 C ATOM 357 CG LEU A 26 -10.161 -6.066 -13.627 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.568 -6.341 -13.092 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.957 -6.648 -15.027 1.00 0.00 C ATOM 0 H LEU A 26 -8.349 -3.353 -11.908 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.912 -5.066 -14.268 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.163 -4.167 -12.641 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.453 -4.080 -14.367 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.459 -6.571 -12.963 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.765 -7.413 -13.119 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.643 -5.985 -12.065 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.300 -5.822 -13.710 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.186 -7.714 -15.015 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.618 -6.142 -15.731 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.921 -6.503 -15.334 1.00 0.00 H new ATOM 371 N VAL A 27 -7.680 -1.931 -14.309 1.00 0.00 N ATOM 372 CA VAL A 27 -7.445 -0.759 -15.136 1.00 0.00 C ATOM 373 C VAL A 27 -6.097 -0.139 -14.764 1.00 0.00 C ATOM 374 O VAL A 27 -5.268 0.121 -15.634 1.00 0.00 O ATOM 375 CB VAL A 27 -8.613 0.220 -14.998 1.00 0.00 C ATOM 376 CG1 VAL A 27 -9.828 -0.259 -15.794 1.00 0.00 C ATOM 377 CG2 VAL A 27 -8.973 0.441 -13.528 1.00 0.00 C ATOM 0 H VAL A 27 -7.418 -1.821 -13.329 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.394 -1.038 -16.189 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.297 1.177 -15.413 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.643 0.455 -15.678 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.563 -0.340 -16.848 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.144 -1.234 -15.423 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.806 1.141 -13.459 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.259 -0.509 -13.077 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.111 0.849 -13.000 1.00 0.00 H new ATOM 387 N VAL A 28 -5.920 0.079 -13.469 1.00 0.00 N ATOM 388 CA VAL A 28 -4.687 0.664 -12.971 1.00 0.00 C ATOM 389 C VAL A 28 -3.524 -0.288 -13.257 1.00 0.00 C ATOM 390 O VAL A 28 -3.709 -1.503 -13.309 1.00 0.00 O ATOM 391 CB VAL A 28 -4.830 1.002 -11.486 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.743 1.982 -11.038 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.224 1.554 -11.181 1.00 0.00 C ATOM 0 H VAL A 28 -6.610 -0.139 -12.750 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.475 1.601 -13.485 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.703 0.079 -10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.868 2.205 -9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.762 1.537 -11.201 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.824 2.903 -11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.299 1.786 -10.119 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.392 2.460 -11.763 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.976 0.810 -11.444 1.00 0.00 H new ATOM 403 N LYS A 29 -2.350 0.300 -13.437 1.00 0.00 N ATOM 404 CA LYS A 29 -1.157 -0.480 -13.717 1.00 0.00 C ATOM 405 C LYS A 29 -0.166 -0.322 -12.562 1.00 0.00 C ATOM 406 O LYS A 29 -0.118 0.726 -11.920 1.00 0.00 O ATOM 407 CB LYS A 29 -0.577 -0.102 -15.081 1.00 0.00 C ATOM 408 CG LYS A 29 0.901 -0.486 -15.175 1.00 0.00 C ATOM 409 CD LYS A 29 1.066 -2.002 -15.302 1.00 0.00 C ATOM 410 CE LYS A 29 2.426 -2.453 -14.765 1.00 0.00 C ATOM 411 NZ LYS A 29 2.981 -3.538 -15.604 1.00 0.00 N ATOM 0 H LYS A 29 -2.200 1.308 -13.394 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.403 -1.540 -13.784 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.137 -0.604 -15.870 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.689 0.970 -15.243 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.354 0.006 -16.035 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.430 -0.132 -14.290 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.270 -2.505 -14.754 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.968 -2.296 -16.347 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.115 -1.609 -14.749 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.321 -2.798 -13.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.904 -3.832 -15.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.330 -4.349 -15.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.100 -3.197 -16.579 1.00 0.00 H new ATOM 425 N LYS A 30 0.600 -1.379 -12.332 1.00 0.00 N ATOM 426 CA LYS A 30 1.586 -1.370 -11.266 1.00 0.00 C ATOM 427 C LYS A 30 2.361 -0.052 -11.304 1.00 0.00 C ATOM 428 O LYS A 30 2.396 0.681 -10.317 1.00 0.00 O ATOM 429 CB LYS A 30 2.478 -2.610 -11.351 1.00 0.00 C ATOM 430 CG LYS A 30 3.037 -2.980 -9.976 1.00 0.00 C ATOM 431 CD LYS A 30 3.112 -4.498 -9.804 1.00 0.00 C ATOM 432 CE LYS A 30 4.436 -4.912 -9.158 1.00 0.00 C ATOM 433 NZ LYS A 30 5.477 -5.110 -10.191 1.00 0.00 N ATOM 0 H LYS A 30 0.557 -2.247 -12.866 1.00 0.00 H new ATOM 0 HA LYS A 30 1.096 -1.424 -10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.906 -3.447 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.299 -2.425 -12.043 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.030 -2.547 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.406 -2.553 -9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.280 -4.839 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.010 -4.983 -10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.757 -4.147 -8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.299 -5.833 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.369 -5.391 -9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.175 -5.856 -10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.620 -4.223 -10.715 1.00 0.00 H new ATOM 447 N SER A 31 2.963 0.211 -12.455 1.00 0.00 N ATOM 448 CA SER A 31 3.735 1.428 -12.635 1.00 0.00 C ATOM 449 C SER A 31 2.916 2.639 -12.183 1.00 0.00 C ATOM 450 O SER A 31 3.477 3.656 -11.779 1.00 0.00 O ATOM 451 CB SER A 31 4.169 1.595 -14.093 1.00 0.00 C ATOM 452 OG SER A 31 5.553 1.309 -14.274 1.00 0.00 O ATOM 0 H SER A 31 2.931 -0.399 -13.272 1.00 0.00 H new ATOM 0 HA SER A 31 4.634 1.356 -12.023 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.576 0.934 -14.726 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.964 2.615 -14.418 1.00 0.00 H new ATOM 0 HG SER A 31 5.790 1.425 -15.218 1.00 0.00 H new ATOM 458 N ASP A 32 1.603 2.489 -12.267 1.00 0.00 N ATOM 459 CA ASP A 32 0.701 3.558 -11.872 1.00 0.00 C ATOM 460 C ASP A 32 0.722 3.700 -10.348 1.00 0.00 C ATOM 461 O ASP A 32 0.525 4.793 -9.820 1.00 0.00 O ATOM 462 CB ASP A 32 -0.736 3.251 -12.298 1.00 0.00 C ATOM 463 CG ASP A 32 -1.554 4.467 -12.738 1.00 0.00 C ATOM 464 OD1 ASP A 32 -0.923 5.423 -13.239 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.790 4.414 -12.563 1.00 0.00 O ATOM 0 H ASP A 32 1.142 1.644 -12.603 1.00 0.00 H new ATOM 0 HA ASP A 32 1.033 4.476 -12.357 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.710 2.533 -13.118 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.250 2.768 -11.467 1.00 0.00 H new ATOM 470 N VAL A 33 0.963 2.579 -9.685 1.00 0.00 N ATOM 471 CA VAL A 33 1.013 2.564 -8.232 1.00 0.00 C ATOM 472 C VAL A 33 2.460 2.756 -7.774 1.00 0.00 C ATOM 473 O VAL A 33 2.708 3.110 -6.623 1.00 0.00 O ATOM 474 CB VAL A 33 0.382 1.276 -7.700 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.338 1.279 -6.170 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.014 1.065 -8.288 1.00 0.00 C ATOM 0 H VAL A 33 1.126 1.674 -10.127 1.00 0.00 H new ATOM 0 HA VAL A 33 0.430 3.388 -7.821 1.00 0.00 H new ATOM 0 HB VAL A 33 1.008 0.441 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.115 0.353 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.351 1.360 -5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.254 2.127 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.439 0.142 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.654 1.905 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.945 0.997 -9.374 1.00 0.00 H new ATOM 486 N GLU A 34 3.377 2.513 -8.699 1.00 0.00 N ATOM 487 CA GLU A 34 4.793 2.654 -8.404 1.00 0.00 C ATOM 488 C GLU A 34 5.262 4.076 -8.722 1.00 0.00 C ATOM 489 O GLU A 34 6.251 4.546 -8.163 1.00 0.00 O ATOM 490 CB GLU A 34 5.618 1.620 -9.172 1.00 0.00 C ATOM 491 CG GLU A 34 5.897 0.389 -8.307 1.00 0.00 C ATOM 492 CD GLU A 34 6.905 -0.541 -8.986 1.00 0.00 C ATOM 493 OE1 GLU A 34 8.041 -0.074 -9.216 1.00 0.00 O ATOM 494 OE2 GLU A 34 6.517 -1.697 -9.258 1.00 0.00 O ATOM 0 H GLU A 34 3.167 2.219 -9.653 1.00 0.00 H new ATOM 0 HA GLU A 34 4.943 2.472 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.085 1.321 -10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.560 2.066 -9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.282 0.702 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.967 -0.149 -8.123 1.00 0.00 H new ATOM 501 N ALA A 35 4.529 4.720 -9.618 1.00 0.00 N ATOM 502 CA ALA A 35 4.857 6.078 -10.016 1.00 0.00 C ATOM 503 C ALA A 35 4.075 7.064 -9.146 1.00 0.00 C ATOM 504 O ALA A 35 4.632 8.050 -8.665 1.00 0.00 O ATOM 505 CB ALA A 35 4.564 6.258 -11.507 1.00 0.00 C ATOM 0 H ALA A 35 3.709 4.326 -10.080 1.00 0.00 H new ATOM 0 HA ALA A 35 5.918 6.275 -9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.810 7.277 -11.806 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.166 5.555 -12.083 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.507 6.070 -11.695 1.00 0.00 H new ATOM 511 N ILE A 36 2.797 6.763 -8.969 1.00 0.00 N ATOM 512 CA ILE A 36 1.933 7.610 -8.165 1.00 0.00 C ATOM 513 C ILE A 36 2.464 7.658 -6.731 1.00 0.00 C ATOM 514 O ILE A 36 2.326 8.672 -6.048 1.00 0.00 O ATOM 515 CB ILE A 36 0.479 7.144 -8.267 1.00 0.00 C ATOM 516 CG1 ILE A 36 -0.051 7.308 -9.693 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.401 7.863 -7.242 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.389 6.587 -9.867 1.00 0.00 C ATOM 0 H ILE A 36 2.339 5.944 -9.369 1.00 0.00 H new ATOM 0 HA ILE A 36 1.943 8.632 -8.544 1.00 0.00 H new ATOM 0 HB ILE A 36 0.444 6.080 -8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.172 8.367 -9.920 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.675 6.911 -10.403 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.429 7.513 -7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.036 7.651 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.365 8.937 -7.422 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.743 6.719 -10.889 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.259 5.524 -9.663 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.119 7.003 -9.173 1.00 0.00 H new ATOM 530 N PHE A 37 3.060 6.550 -6.318 1.00 0.00 N ATOM 531 CA PHE A 37 3.613 6.452 -4.977 1.00 0.00 C ATOM 532 C PHE A 37 5.091 6.848 -4.963 1.00 0.00 C ATOM 533 O PHE A 37 5.669 7.065 -3.900 1.00 0.00 O ATOM 534 CB PHE A 37 3.484 4.990 -4.545 1.00 0.00 C ATOM 535 CG PHE A 37 2.043 4.537 -4.305 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.136 4.589 -5.317 1.00 0.00 C ATOM 537 CD2 PHE A 37 1.669 4.081 -3.080 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.202 4.168 -5.094 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.331 3.659 -2.857 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.576 3.712 -3.869 1.00 0.00 C ATOM 0 H PHE A 37 3.173 5.712 -6.888 1.00 0.00 H new ATOM 0 HA PHE A 37 3.079 7.123 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.931 4.355 -5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.058 4.840 -3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.433 4.950 -6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.389 4.040 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.922 4.210 -5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.034 3.296 -1.884 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.593 3.392 -3.700 1.00 0.00 H new ATOM 550 N SER A 38 5.660 6.929 -6.157 1.00 0.00 N ATOM 551 CA SER A 38 7.059 7.295 -6.296 1.00 0.00 C ATOM 552 C SER A 38 7.275 8.731 -5.815 1.00 0.00 C ATOM 553 O SER A 38 8.386 9.104 -5.441 1.00 0.00 O ATOM 554 CB SER A 38 7.527 7.145 -7.745 1.00 0.00 C ATOM 555 OG SER A 38 8.616 8.012 -8.047 1.00 0.00 O ATOM 0 H SER A 38 5.177 6.747 -7.037 1.00 0.00 H new ATOM 0 HA SER A 38 7.651 6.619 -5.679 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.826 6.112 -7.924 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.697 7.358 -8.418 1.00 0.00 H new ATOM 0 HG SER A 38 8.886 7.885 -8.980 1.00 0.00 H new ATOM 561 N LYS A 39 6.195 9.498 -5.839 1.00 0.00 N ATOM 562 CA LYS A 39 6.252 10.885 -5.410 1.00 0.00 C ATOM 563 C LYS A 39 6.214 10.943 -3.882 1.00 0.00 C ATOM 564 O LYS A 39 6.345 12.016 -3.294 1.00 0.00 O ATOM 565 CB LYS A 39 5.148 11.701 -6.085 1.00 0.00 C ATOM 566 CG LYS A 39 3.784 11.032 -5.903 1.00 0.00 C ATOM 567 CD LYS A 39 2.661 12.072 -5.894 1.00 0.00 C ATOM 568 CE LYS A 39 1.580 11.719 -6.918 1.00 0.00 C ATOM 569 NZ LYS A 39 0.263 12.236 -6.479 1.00 0.00 N ATOM 0 H LYS A 39 5.275 9.185 -6.149 1.00 0.00 H new ATOM 0 HA LYS A 39 7.190 11.343 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.124 12.706 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.367 11.807 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.616 10.316 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.772 10.470 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.220 12.128 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.071 13.057 -6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.838 12.142 -7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.529 10.638 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.344 11.442 -6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.394 12.880 -5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.187 12.750 -7.263 1.00 0.00 H new ATOM 583 N TYR A 40 6.032 9.776 -3.281 1.00 0.00 N ATOM 584 CA TYR A 40 5.975 9.681 -1.832 1.00 0.00 C ATOM 585 C TYR A 40 7.183 8.920 -1.284 1.00 0.00 C ATOM 586 O TYR A 40 7.127 8.365 -0.188 1.00 0.00 O ATOM 587 CB TYR A 40 4.703 8.894 -1.512 1.00 0.00 C ATOM 588 CG TYR A 40 3.422 9.730 -1.571 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.408 11.008 -1.050 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.282 9.205 -2.144 1.00 0.00 C ATOM 591 CE1 TYR A 40 2.203 11.794 -1.106 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.077 9.992 -2.199 1.00 0.00 C ATOM 593 CZ TYR A 40 1.097 11.248 -1.678 1.00 0.00 C ATOM 594 OH TYR A 40 -0.041 11.990 -1.730 1.00 0.00 O ATOM 0 H TYR A 40 5.922 8.888 -3.771 1.00 0.00 H new ATOM 0 HA TYR A 40 5.978 10.674 -1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.616 8.064 -2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.797 8.461 -0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.300 11.418 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.293 8.205 -2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.178 12.795 -0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.177 9.593 -2.644 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.749 11.472 -2.167 1.00 0.00 H new ATOM 604 N GLY A 41 8.248 8.917 -2.073 1.00 0.00 N ATOM 605 CA GLY A 41 9.468 8.232 -1.680 1.00 0.00 C ATOM 606 C GLY A 41 9.898 7.223 -2.747 1.00 0.00 C ATOM 607 O GLY A 41 9.124 6.896 -3.645 1.00 0.00 O ATOM 0 H GLY A 41 8.291 9.378 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.263 8.960 -1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.312 7.719 -0.731 1.00 0.00 H new ATOM 611 N LYS A 42 11.131 6.756 -2.612 1.00 0.00 N ATOM 612 CA LYS A 42 11.673 5.791 -3.553 1.00 0.00 C ATOM 613 C LYS A 42 11.189 4.389 -3.174 1.00 0.00 C ATOM 614 O LYS A 42 11.494 3.895 -2.090 1.00 0.00 O ATOM 615 CB LYS A 42 13.195 5.915 -3.631 1.00 0.00 C ATOM 616 CG LYS A 42 13.790 4.820 -4.518 1.00 0.00 C ATOM 617 CD LYS A 42 15.282 4.634 -4.234 1.00 0.00 C ATOM 618 CE LYS A 42 15.633 3.151 -4.097 1.00 0.00 C ATOM 619 NZ LYS A 42 16.941 2.867 -4.730 1.00 0.00 N ATOM 0 H LYS A 42 11.770 7.028 -1.865 1.00 0.00 H new ATOM 0 HA LYS A 42 11.308 5.994 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.464 6.894 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.621 5.848 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.264 3.881 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.645 5.078 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.867 5.077 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.550 5.161 -3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.665 2.875 -3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.857 2.543 -4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.164 1.856 -4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.898 3.112 -5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.681 3.433 -4.267 1.00 0.00 H new ATOM 633 N ILE A 43 10.442 3.789 -4.089 1.00 0.00 N ATOM 634 CA ILE A 43 9.913 2.454 -3.865 1.00 0.00 C ATOM 635 C ILE A 43 11.011 1.423 -4.133 1.00 0.00 C ATOM 636 O ILE A 43 11.644 1.445 -5.188 1.00 0.00 O ATOM 637 CB ILE A 43 8.647 2.233 -4.695 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.609 3.321 -4.412 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.081 0.830 -4.470 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.335 3.090 -5.227 1.00 0.00 C ATOM 0 H ILE A 43 10.190 4.202 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 43 9.610 2.334 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 43 8.913 2.307 -5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.368 3.331 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.027 4.298 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.182 0.700 -5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.823 0.087 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.834 0.702 -3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.614 3.878 -5.007 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.575 3.105 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.906 2.122 -4.966 1.00 0.00 H new ATOM 652 N VAL A 44 11.204 0.545 -3.160 1.00 0.00 N ATOM 653 CA VAL A 44 12.215 -0.492 -3.277 1.00 0.00 C ATOM 654 C VAL A 44 11.558 -1.787 -3.760 1.00 0.00 C ATOM 655 O VAL A 44 12.204 -2.614 -4.401 1.00 0.00 O ATOM 656 CB VAL A 44 12.954 -0.656 -1.947 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.481 0.689 -1.444 1.00 0.00 C ATOM 658 CG2 VAL A 44 12.057 -1.321 -0.901 1.00 0.00 C ATOM 0 H VAL A 44 10.677 0.530 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 44 12.965 -0.212 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 44 13.811 -1.308 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.002 0.545 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.170 1.107 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.647 1.375 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.606 -1.426 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.173 -0.706 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.753 -2.306 -1.256 1.00 0.00 H new ATOM 668 N GLY A 45 10.281 -1.922 -3.433 1.00 0.00 N ATOM 669 CA GLY A 45 9.529 -3.102 -3.824 1.00 0.00 C ATOM 670 C GLY A 45 8.023 -2.840 -3.756 1.00 0.00 C ATOM 671 O GLY A 45 7.504 -2.448 -2.712 1.00 0.00 O ATOM 0 H GLY A 45 9.748 -1.233 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.805 -3.395 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.787 -3.935 -3.170 1.00 0.00 H new ATOM 675 N CYS A 46 7.364 -3.068 -4.883 1.00 0.00 N ATOM 676 CA CYS A 46 5.928 -2.861 -4.964 1.00 0.00 C ATOM 677 C CYS A 46 5.303 -4.086 -5.635 1.00 0.00 C ATOM 678 O CYS A 46 5.874 -4.645 -6.571 1.00 0.00 O ATOM 679 CB CYS A 46 5.583 -1.568 -5.705 1.00 0.00 C ATOM 680 SG CYS A 46 3.774 -1.453 -5.956 1.00 0.00 S ATOM 0 H CYS A 46 7.798 -3.394 -5.747 1.00 0.00 H new ATOM 0 HA CYS A 46 5.518 -2.748 -3.960 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.935 -0.708 -5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.094 -1.543 -6.667 1.00 0.00 H new ATOM 0 HG CYS A 46 3.160 -1.861 -4.885 1.00 0.00 H new ATOM 686 N SER A 47 4.139 -4.469 -5.131 1.00 0.00 N ATOM 687 CA SER A 47 3.432 -5.618 -5.670 1.00 0.00 C ATOM 688 C SER A 47 1.947 -5.287 -5.834 1.00 0.00 C ATOM 689 O SER A 47 1.389 -4.516 -5.056 1.00 0.00 O ATOM 690 CB SER A 47 3.606 -6.844 -4.771 1.00 0.00 C ATOM 691 OG SER A 47 3.620 -6.495 -3.389 1.00 0.00 O ATOM 0 H SER A 47 3.668 -4.004 -4.355 1.00 0.00 H new ATOM 0 HA SER A 47 3.856 -5.854 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.796 -7.549 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.536 -7.352 -5.026 1.00 0.00 H new ATOM 0 HG SER A 47 3.731 -7.305 -2.848 1.00 0.00 H new ATOM 697 N VAL A 48 1.349 -5.888 -6.853 1.00 0.00 N ATOM 698 CA VAL A 48 -0.060 -5.667 -7.130 1.00 0.00 C ATOM 699 C VAL A 48 -0.743 -7.013 -7.381 1.00 0.00 C ATOM 700 O VAL A 48 -0.384 -7.731 -8.312 1.00 0.00 O ATOM 701 CB VAL A 48 -0.217 -4.691 -8.297 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.693 -4.489 -8.648 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.461 -3.354 -7.989 1.00 0.00 C ATOM 0 H VAL A 48 1.815 -6.528 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.550 -5.208 -6.272 1.00 0.00 H new ATOM 0 HB VAL A 48 0.278 -5.125 -9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.777 -3.791 -9.481 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.134 -5.445 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.221 -4.087 -7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.334 -2.678 -8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.008 -2.912 -7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.524 -3.517 -7.811 1.00 0.00 H new ATOM 713 N HIS A 49 -1.715 -7.314 -6.532 1.00 0.00 N ATOM 714 CA HIS A 49 -2.452 -8.561 -6.650 1.00 0.00 C ATOM 715 C HIS A 49 -3.931 -8.262 -6.901 1.00 0.00 C ATOM 716 O HIS A 49 -4.529 -7.441 -6.207 1.00 0.00 O ATOM 717 CB HIS A 49 -2.226 -9.444 -5.421 1.00 0.00 C ATOM 718 CG HIS A 49 -0.796 -9.468 -4.936 1.00 0.00 C ATOM 719 ND1 HIS A 49 0.165 -10.304 -5.478 1.00 0.00 N ATOM 720 CD2 HIS A 49 -0.175 -8.751 -3.957 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.309 -10.091 -4.845 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.097 -9.129 -3.902 1.00 0.00 N ATOM 0 H HIS A 49 -2.009 -6.716 -5.760 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.082 -9.127 -7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.867 -9.094 -4.612 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.536 -10.462 -5.656 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.639 -8.002 -3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.246 -10.592 -5.041 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.799 -8.761 -3.260 1.00 0.00 H new ATOM 730 N LYS A 50 -4.479 -8.944 -7.896 1.00 0.00 N ATOM 731 CA LYS A 50 -5.877 -8.762 -8.248 1.00 0.00 C ATOM 732 C LYS A 50 -6.710 -8.655 -6.969 1.00 0.00 C ATOM 733 O LYS A 50 -7.070 -9.669 -6.372 1.00 0.00 O ATOM 734 CB LYS A 50 -6.341 -9.871 -9.194 1.00 0.00 C ATOM 735 CG LYS A 50 -6.537 -9.335 -10.613 1.00 0.00 C ATOM 736 CD LYS A 50 -6.331 -10.441 -11.651 1.00 0.00 C ATOM 737 CE LYS A 50 -6.607 -9.925 -13.064 1.00 0.00 C ATOM 738 NZ LYS A 50 -5.663 -8.840 -13.414 1.00 0.00 N ATOM 0 H LYS A 50 -3.980 -9.624 -8.470 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.014 -7.830 -8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.606 -10.676 -9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.276 -10.297 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.540 -8.920 -10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.835 -8.522 -10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.309 -10.816 -11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.992 -11.279 -11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.513 -10.741 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.632 -9.559 -13.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.713 -8.652 -14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.916 -7.978 -12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.696 -9.127 -13.162 1.00 0.00 H new ATOM 752 N GLY A 51 -6.993 -7.419 -6.587 1.00 0.00 N ATOM 753 CA GLY A 51 -7.778 -7.167 -5.390 1.00 0.00 C ATOM 754 C GLY A 51 -7.109 -6.109 -4.509 1.00 0.00 C ATOM 755 O GLY A 51 -7.790 -5.313 -3.864 1.00 0.00 O ATOM 0 H GLY A 51 -6.693 -6.581 -7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.777 -6.834 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.897 -8.093 -4.827 1.00 0.00 H new ATOM 759 N PHE A 52 -5.785 -6.135 -4.510 1.00 0.00 N ATOM 760 CA PHE A 52 -5.017 -5.189 -3.719 1.00 0.00 C ATOM 761 C PHE A 52 -3.581 -5.081 -4.235 1.00 0.00 C ATOM 762 O PHE A 52 -3.255 -5.620 -5.292 1.00 0.00 O ATOM 763 CB PHE A 52 -4.992 -5.721 -2.285 1.00 0.00 C ATOM 764 CG PHE A 52 -4.656 -7.210 -2.180 1.00 0.00 C ATOM 765 CD1 PHE A 52 -3.360 -7.621 -2.226 1.00 0.00 C ATOM 766 CD2 PHE A 52 -5.654 -8.124 -2.040 1.00 0.00 C ATOM 767 CE1 PHE A 52 -3.049 -9.003 -2.128 1.00 0.00 C ATOM 768 CE2 PHE A 52 -5.343 -9.506 -1.943 1.00 0.00 C ATOM 769 CZ PHE A 52 -4.047 -9.916 -1.989 1.00 0.00 C ATOM 0 H PHE A 52 -5.224 -6.797 -5.046 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.471 -4.200 -3.778 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.261 -5.153 -1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.965 -5.545 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.567 -6.896 -2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.683 -7.798 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.020 -9.329 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.135 -10.231 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.810 -10.967 -1.915 1.00 0.00 H new ATOM 779 N ALA A 53 -2.761 -4.379 -3.467 1.00 0.00 N ATOM 780 CA ALA A 53 -1.367 -4.193 -3.833 1.00 0.00 C ATOM 781 C ALA A 53 -0.582 -3.713 -2.611 1.00 0.00 C ATOM 782 O ALA A 53 -1.170 -3.376 -1.584 1.00 0.00 O ATOM 783 CB ALA A 53 -1.274 -3.216 -5.007 1.00 0.00 C ATOM 0 H ALA A 53 -3.035 -3.932 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.926 -5.136 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.229 -3.076 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.823 -3.618 -5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.704 -2.257 -4.718 1.00 0.00 H new ATOM 789 N PHE A 54 0.734 -3.695 -2.762 1.00 0.00 N ATOM 790 CA PHE A 54 1.605 -3.262 -1.683 1.00 0.00 C ATOM 791 C PHE A 54 2.756 -2.406 -2.217 1.00 0.00 C ATOM 792 O PHE A 54 3.154 -2.547 -3.373 1.00 0.00 O ATOM 793 CB PHE A 54 2.181 -4.524 -1.038 1.00 0.00 C ATOM 794 CG PHE A 54 1.467 -4.946 0.248 1.00 0.00 C ATOM 795 CD1 PHE A 54 0.405 -5.793 0.190 1.00 0.00 C ATOM 796 CD2 PHE A 54 1.896 -4.475 1.450 1.00 0.00 C ATOM 797 CE1 PHE A 54 -0.257 -6.185 1.383 1.00 0.00 C ATOM 798 CE2 PHE A 54 1.234 -4.867 2.643 1.00 0.00 C ATOM 799 CZ PHE A 54 0.172 -5.714 2.585 1.00 0.00 C ATOM 0 H PHE A 54 1.218 -3.973 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 54 1.041 -2.661 -0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.129 -5.343 -1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.236 -4.359 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.065 -6.168 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.740 -3.803 1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.101 -6.857 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.574 -4.492 3.597 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.331 -6.013 3.493 1.00 0.00 H new ATOM 809 N VAL A 55 3.257 -1.538 -1.351 1.00 0.00 N ATOM 810 CA VAL A 55 4.354 -0.660 -1.722 1.00 0.00 C ATOM 811 C VAL A 55 5.378 -0.623 -0.585 1.00 0.00 C ATOM 812 O VAL A 55 5.010 -0.519 0.584 1.00 0.00 O ATOM 813 CB VAL A 55 3.816 0.724 -2.087 1.00 0.00 C ATOM 814 CG1 VAL A 55 4.937 1.766 -2.089 1.00 0.00 C ATOM 815 CG2 VAL A 55 3.093 0.693 -3.435 1.00 0.00 C ATOM 0 H VAL A 55 2.924 -1.424 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 55 4.864 -1.039 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 55 3.092 1.013 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.527 2.741 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.388 1.817 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.696 1.483 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.720 1.690 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.786 0.371 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.257 -0.004 -3.383 1.00 0.00 H new ATOM 825 N GLN A 56 6.643 -0.710 -0.969 1.00 0.00 N ATOM 826 CA GLN A 56 7.723 -0.687 0.004 1.00 0.00 C ATOM 827 C GLN A 56 8.657 0.494 -0.267 1.00 0.00 C ATOM 828 O GLN A 56 9.404 0.488 -1.245 1.00 0.00 O ATOM 829 CB GLN A 56 8.494 -2.009 -0.003 1.00 0.00 C ATOM 830 CG GLN A 56 9.556 -2.030 1.099 1.00 0.00 C ATOM 831 CD GLN A 56 9.192 -3.037 2.191 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.484 -4.006 1.968 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.715 -2.757 3.382 1.00 0.00 N ATOM 0 H GLN A 56 6.945 -0.796 -1.940 1.00 0.00 H new ATOM 0 HA GLN A 56 7.290 -0.561 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.802 -2.839 0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.969 -2.152 -0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.525 -2.287 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.654 -1.035 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.299 -1.929 3.501 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.532 -3.370 4.176 1.00 0.00 H new ATOM 842 N TYR A 57 8.584 1.479 0.615 1.00 0.00 N ATOM 843 CA TYR A 57 9.413 2.665 0.483 1.00 0.00 C ATOM 844 C TYR A 57 10.772 2.462 1.158 1.00 0.00 C ATOM 845 O TYR A 57 10.917 1.596 2.020 1.00 0.00 O ATOM 846 CB TYR A 57 8.663 3.787 1.203 1.00 0.00 C ATOM 847 CG TYR A 57 7.373 4.221 0.504 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.214 3.493 0.680 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.368 5.340 -0.303 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.000 3.901 0.022 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.154 5.749 -0.961 1.00 0.00 C ATOM 852 CZ TYR A 57 5.030 5.009 -0.766 1.00 0.00 C ATOM 853 OH TYR A 57 3.883 5.394 -1.388 1.00 0.00 O ATOM 0 H TYR A 57 7.963 1.480 1.424 1.00 0.00 H new ATOM 0 HA TYR A 57 9.595 2.891 -0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.424 3.459 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.322 4.650 1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.218 2.617 1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.275 5.910 -0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.086 3.340 0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.137 6.623 -1.595 1.00 0.00 H new ATOM 0 HH TYR A 57 4.079 6.121 -2.015 1.00 0.00 H new ATOM 863 N VAL A 58 11.731 3.274 0.740 1.00 0.00 N ATOM 864 CA VAL A 58 13.073 3.194 1.293 1.00 0.00 C ATOM 865 C VAL A 58 13.011 3.421 2.805 1.00 0.00 C ATOM 866 O VAL A 58 13.817 2.870 3.553 1.00 0.00 O ATOM 867 CB VAL A 58 13.994 4.184 0.577 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.094 4.685 1.515 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.591 3.562 -0.686 1.00 0.00 C ATOM 0 H VAL A 58 11.606 3.991 0.025 1.00 0.00 H new ATOM 0 HA VAL A 58 13.495 2.202 1.130 1.00 0.00 H new ATOM 0 HB VAL A 58 13.394 5.043 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.735 5.387 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.642 5.185 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.690 3.840 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.242 4.287 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.170 2.678 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.788 3.277 -1.366 1.00 0.00 H new ATOM 879 N ASN A 59 12.045 4.234 3.210 1.00 0.00 N ATOM 880 CA ASN A 59 11.868 4.540 4.619 1.00 0.00 C ATOM 881 C ASN A 59 10.386 4.415 4.981 1.00 0.00 C ATOM 882 O ASN A 59 9.523 4.471 4.107 1.00 0.00 O ATOM 883 CB ASN A 59 12.311 5.971 4.932 1.00 0.00 C ATOM 884 CG ASN A 59 13.706 6.248 4.367 1.00 0.00 C ATOM 885 OD1 ASN A 59 14.691 5.637 4.748 1.00 0.00 O ATOM 886 ND2 ASN A 59 13.734 7.202 3.441 1.00 0.00 N ATOM 0 H ASN A 59 11.378 4.689 2.587 1.00 0.00 H new ATOM 0 HA ASN A 59 12.474 3.840 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.597 6.678 4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.314 6.127 6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.618 7.462 3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.872 7.674 3.168 1.00 0.00 H new ATOM 893 N GLU A 60 10.138 4.246 6.271 1.00 0.00 N ATOM 894 CA GLU A 60 8.776 4.112 6.760 1.00 0.00 C ATOM 895 C GLU A 60 8.021 5.433 6.597 1.00 0.00 C ATOM 896 O GLU A 60 6.932 5.463 6.025 1.00 0.00 O ATOM 897 CB GLU A 60 8.759 3.647 8.217 1.00 0.00 C ATOM 898 CG GLU A 60 7.499 2.833 8.519 1.00 0.00 C ATOM 899 CD GLU A 60 6.271 3.739 8.616 1.00 0.00 C ATOM 900 OE1 GLU A 60 5.691 4.026 7.547 1.00 0.00 O ATOM 901 OE2 GLU A 60 5.939 4.124 9.758 1.00 0.00 O ATOM 0 H GLU A 60 10.857 4.199 6.993 1.00 0.00 H new ATOM 0 HA GLU A 60 8.271 3.351 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.643 3.043 8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.805 4.512 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.346 2.090 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.629 2.289 9.455 1.00 0.00 H new ATOM 908 N ARG A 61 8.629 6.492 7.109 1.00 0.00 N ATOM 909 CA ARG A 61 8.028 7.813 7.027 1.00 0.00 C ATOM 910 C ARG A 61 7.432 8.039 5.636 1.00 0.00 C ATOM 911 O ARG A 61 6.360 8.627 5.504 1.00 0.00 O ATOM 912 CB ARG A 61 9.058 8.906 7.317 1.00 0.00 C ATOM 913 CG ARG A 61 8.410 10.292 7.288 1.00 0.00 C ATOM 914 CD ARG A 61 9.448 11.387 7.538 1.00 0.00 C ATOM 915 NE ARG A 61 9.257 12.495 6.576 1.00 0.00 N ATOM 916 CZ ARG A 61 9.856 13.690 6.677 1.00 0.00 C ATOM 917 NH1 ARG A 61 10.687 13.938 7.698 1.00 0.00 N ATOM 918 NH2 ARG A 61 9.623 14.636 5.757 1.00 0.00 N ATOM 0 H ARG A 61 9.532 6.463 7.582 1.00 0.00 H new ATOM 0 HA ARG A 61 7.239 7.866 7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.512 8.733 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.860 8.860 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.931 10.453 6.322 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.628 10.348 8.045 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.356 11.760 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.453 10.977 7.438 1.00 0.00 H new ATOM 0 HE ARG A 61 8.630 12.340 5.786 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.864 13.218 8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.143 14.847 7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.990 14.447 4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.079 15.545 5.834 1.00 0.00 H new ATOM 932 N ASN A 62 8.154 7.562 4.633 1.00 0.00 N ATOM 933 CA ASN A 62 7.711 7.705 3.257 1.00 0.00 C ATOM 934 C ASN A 62 6.406 6.929 3.063 1.00 0.00 C ATOM 935 O ASN A 62 5.470 7.428 2.439 1.00 0.00 O ATOM 936 CB ASN A 62 8.746 7.140 2.282 1.00 0.00 C ATOM 937 CG ASN A 62 9.861 8.154 2.018 1.00 0.00 C ATOM 938 OD1 ASN A 62 9.661 9.357 2.047 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.044 7.602 1.760 1.00 0.00 N ATOM 0 H ASN A 62 9.043 7.076 4.746 1.00 0.00 H new ATOM 0 HA ASN A 62 7.571 8.767 3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.172 6.223 2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.260 6.876 1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.853 8.194 1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.142 6.587 1.751 1.00 0.00 H new ATOM 946 N ALA A 63 6.386 5.722 3.608 1.00 0.00 N ATOM 947 CA ALA A 63 5.212 4.873 3.503 1.00 0.00 C ATOM 948 C ALA A 63 3.995 5.622 4.050 1.00 0.00 C ATOM 949 O ALA A 63 3.059 5.917 3.309 1.00 0.00 O ATOM 950 CB ALA A 63 5.466 3.556 4.240 1.00 0.00 C ATOM 0 H ALA A 63 7.164 5.312 4.124 1.00 0.00 H new ATOM 0 HA ALA A 63 5.007 4.629 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.585 2.919 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.322 3.049 3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.673 3.761 5.290 1.00 0.00 H new ATOM 956 N ARG A 64 4.048 5.908 5.342 1.00 0.00 N ATOM 957 CA ARG A 64 2.962 6.616 5.997 1.00 0.00 C ATOM 958 C ARG A 64 2.522 7.813 5.150 1.00 0.00 C ATOM 959 O ARG A 64 1.328 8.067 5.002 1.00 0.00 O ATOM 960 CB ARG A 64 3.382 7.109 7.383 1.00 0.00 C ATOM 961 CG ARG A 64 2.290 7.979 8.010 1.00 0.00 C ATOM 962 CD ARG A 64 2.723 8.497 9.383 1.00 0.00 C ATOM 963 NE ARG A 64 2.232 7.590 10.445 1.00 0.00 N ATOM 964 CZ ARG A 64 2.322 7.851 11.756 1.00 0.00 C ATOM 965 NH1 ARG A 64 2.884 8.993 12.175 1.00 0.00 N ATOM 966 NH2 ARG A 64 1.849 6.970 12.648 1.00 0.00 N ATOM 0 H ARG A 64 4.827 5.662 5.953 1.00 0.00 H new ATOM 0 HA ARG A 64 2.131 5.919 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.588 6.256 8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.307 7.680 7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.068 8.820 7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.371 7.401 8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.810 8.568 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.331 9.502 9.542 1.00 0.00 H new ATOM 0 HE ARG A 64 1.798 6.712 10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.243 9.664 11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.952 9.192 13.173 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.421 6.101 12.329 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.917 7.168 13.646 1.00 0.00 H new ATOM 980 N ALA A 65 3.511 8.515 4.617 1.00 0.00 N ATOM 981 CA ALA A 65 3.241 9.678 3.789 1.00 0.00 C ATOM 982 C ALA A 65 2.133 9.340 2.789 1.00 0.00 C ATOM 983 O ALA A 65 1.048 9.917 2.841 1.00 0.00 O ATOM 984 CB ALA A 65 4.532 10.125 3.100 1.00 0.00 C ATOM 0 H ALA A 65 4.500 8.301 4.742 1.00 0.00 H new ATOM 0 HA ALA A 65 2.892 10.511 4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.330 10.997 2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.277 10.381 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.911 9.315 2.476 1.00 0.00 H new ATOM 990 N ALA A 66 2.445 8.408 1.901 1.00 0.00 N ATOM 991 CA ALA A 66 1.489 7.987 0.891 1.00 0.00 C ATOM 992 C ALA A 66 0.198 7.532 1.574 1.00 0.00 C ATOM 993 O ALA A 66 -0.889 7.990 1.223 1.00 0.00 O ATOM 994 CB ALA A 66 2.110 6.887 0.027 1.00 0.00 C ATOM 0 H ALA A 66 3.346 7.932 1.860 1.00 0.00 H new ATOM 0 HA ALA A 66 1.238 8.818 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.393 6.571 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.007 7.270 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.373 6.036 0.655 1.00 0.00 H new ATOM 1000 N VAL A 67 0.359 6.638 2.538 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.780 6.117 3.274 1.00 0.00 C ATOM 1002 C VAL A 67 -1.656 7.281 3.740 1.00 0.00 C ATOM 1003 O VAL A 67 -2.852 7.108 3.973 1.00 0.00 O ATOM 1004 CB VAL A 67 -0.299 5.232 4.426 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.417 5.002 5.444 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.250 3.903 3.904 1.00 0.00 C ATOM 0 H VAL A 67 1.262 6.261 2.827 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.393 5.485 2.631 1.00 0.00 H new ATOM 0 HB VAL A 67 0.513 5.753 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.049 4.370 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.741 5.960 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.259 4.512 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.585 3.293 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.533 3.374 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.090 4.094 3.236 1.00 0.00 H new ATOM 1016 N ALA A 68 -1.028 8.441 3.862 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.736 9.634 4.296 1.00 0.00 C ATOM 1018 C ALA A 68 -2.209 10.416 3.070 1.00 0.00 C ATOM 1019 O ALA A 68 -3.255 11.062 3.106 1.00 0.00 O ATOM 1020 CB ALA A 68 -0.826 10.465 5.203 1.00 0.00 C ATOM 0 H ALA A 68 -0.036 8.581 3.668 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.619 9.367 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.356 11.360 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.542 9.874 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.070 10.754 4.653 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.416 10.332 2.012 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.740 11.023 0.776 1.00 0.00 C ATOM 1028 C GLY A 69 -2.527 10.115 -0.171 1.00 0.00 C ATOM 1029 O GLY A 69 -3.735 10.282 -0.337 1.00 0.00 O ATOM 0 H GLY A 69 -0.549 9.795 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.324 11.917 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.823 11.354 0.289 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.812 9.173 -0.767 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.428 8.238 -1.692 1.00 0.00 C ATOM 1035 C GLU A 70 -3.833 7.867 -1.215 1.00 0.00 C ATOM 1036 O GLU A 70 -4.823 8.222 -1.853 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.561 6.989 -1.868 1.00 0.00 C ATOM 1038 CG GLU A 70 -0.914 6.962 -3.254 1.00 0.00 C ATOM 1039 CD GLU A 70 -1.957 7.180 -4.352 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.799 6.272 -4.523 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -1.890 8.250 -4.994 1.00 0.00 O ATOM 0 H GLU A 70 -0.811 9.037 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.512 8.722 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.787 6.968 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.171 6.096 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.148 7.735 -3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.414 6.005 -3.407 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.876 7.158 -0.097 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.144 6.735 0.474 1.00 0.00 C ATOM 1050 C ASP A 71 -6.166 7.864 0.326 1.00 0.00 C ATOM 1051 O ASP A 71 -5.956 8.966 0.830 1.00 0.00 O ATOM 1052 CB ASP A 71 -5.000 6.419 1.964 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.319 6.301 2.730 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -6.921 5.208 2.657 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.694 7.306 3.372 1.00 0.00 O ATOM 0 H ASP A 71 -3.053 6.865 0.429 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.469 5.839 -0.054 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.451 5.484 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.396 7.198 2.429 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.251 7.550 -0.367 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.306 8.524 -0.588 1.00 0.00 C ATOM 1062 C GLY A 72 -8.239 9.094 -2.006 1.00 0.00 C ATOM 1063 O GLY A 72 -8.689 10.212 -2.251 1.00 0.00 O ATOM 0 H GLY A 72 -7.422 6.634 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.277 8.056 -0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.217 9.333 0.137 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.673 8.299 -2.902 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.541 8.711 -4.290 1.00 0.00 C ATOM 1069 C ARG A 73 -8.524 7.935 -5.169 1.00 0.00 C ATOM 1070 O ARG A 73 -8.663 6.721 -5.029 1.00 0.00 O ATOM 1071 CB ARG A 73 -6.117 8.478 -4.800 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.662 9.629 -5.700 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.477 9.208 -6.571 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.736 10.404 -7.029 1.00 0.00 N ATOM 1075 CZ ARG A 73 -2.949 10.431 -8.113 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -2.795 9.327 -8.857 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.315 11.561 -8.454 1.00 0.00 N ATOM 0 H ARG A 73 -7.301 7.372 -2.695 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.764 9.777 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.435 8.381 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.074 7.540 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.489 9.948 -6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.381 10.486 -5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.814 8.553 -6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.831 8.638 -7.430 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.830 11.262 -6.485 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.277 8.466 -8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.196 9.348 -9.682 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.431 12.402 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.716 11.581 -9.279 1.00 0.00 H new ATOM 1091 N MET A 74 -9.180 8.669 -6.056 1.00 0.00 N ATOM 1092 CA MET A 74 -10.146 8.065 -6.958 1.00 0.00 C ATOM 1093 C MET A 74 -9.464 7.549 -8.227 1.00 0.00 C ATOM 1094 O MET A 74 -9.328 8.282 -9.205 1.00 0.00 O ATOM 1095 CB MET A 74 -11.209 9.099 -7.334 1.00 0.00 C ATOM 1096 CG MET A 74 -12.618 8.535 -7.137 1.00 0.00 C ATOM 1097 SD MET A 74 -13.828 9.833 -7.328 1.00 0.00 S ATOM 1098 CE MET A 74 -15.326 8.903 -7.049 1.00 0.00 C ATOM 0 H MET A 74 -9.062 9.676 -6.169 1.00 0.00 H new ATOM 0 HA MET A 74 -10.611 7.221 -6.449 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.083 9.993 -6.724 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.076 9.401 -8.373 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.806 7.742 -7.861 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.705 8.089 -6.146 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.082 9.554 -6.611 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.692 8.509 -7.997 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.120 8.077 -6.368 1.00 0.00 H new ATOM 1108 N ILE A 75 -9.052 6.291 -8.169 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.387 5.668 -9.301 1.00 0.00 C ATOM 1110 C ILE A 75 -9.365 4.726 -10.005 1.00 0.00 C ATOM 1111 O ILE A 75 -9.839 3.759 -9.410 1.00 0.00 O ATOM 1112 CB ILE A 75 -7.092 4.989 -8.854 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.963 5.248 -9.853 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.312 3.494 -8.612 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -5.135 6.467 -9.442 1.00 0.00 C ATOM 0 H ILE A 75 -9.166 5.686 -7.356 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.089 6.421 -10.030 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.787 5.428 -7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.319 4.371 -9.915 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.382 5.407 -10.847 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.376 3.035 -8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.064 3.358 -7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.653 3.023 -9.534 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.339 6.628 -10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.777 7.347 -9.405 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.698 6.295 -8.458 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.637 5.039 -11.264 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.549 4.232 -12.056 1.00 0.00 C ATOM 1129 C ALA A 76 -11.988 4.665 -11.767 1.00 0.00 C ATOM 1130 O ALA A 76 -12.928 4.150 -12.371 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.314 2.751 -11.754 1.00 0.00 C ATOM 0 H ALA A 76 -9.241 5.841 -11.755 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.367 4.380 -13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.998 2.145 -12.348 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.286 2.487 -12.003 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.490 2.563 -10.695 1.00 0.00 H new ATOM 1137 N GLY A 77 -12.115 5.606 -10.843 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.424 6.113 -10.466 1.00 0.00 C ATOM 1139 C GLY A 77 -13.785 5.692 -9.040 1.00 0.00 C ATOM 1140 O GLY A 77 -14.770 6.170 -8.479 1.00 0.00 O ATOM 0 H GLY A 77 -11.333 6.031 -10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.432 7.200 -10.541 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.176 5.740 -11.161 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.969 4.802 -8.495 1.00 0.00 N ATOM 1145 CA GLN A 78 -13.190 4.312 -7.145 1.00 0.00 C ATOM 1146 C GLN A 78 -12.057 4.765 -6.223 1.00 0.00 C ATOM 1147 O GLN A 78 -10.950 5.041 -6.683 1.00 0.00 O ATOM 1148 CB GLN A 78 -13.333 2.789 -7.132 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.617 2.352 -7.838 1.00 0.00 C ATOM 1150 CD GLN A 78 -14.352 1.178 -8.784 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -15.047 0.176 -8.782 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -13.309 1.359 -9.590 1.00 0.00 N ATOM 0 H GLN A 78 -12.154 4.407 -8.964 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.124 4.735 -6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.472 2.335 -7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.339 2.430 -6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -15.364 2.065 -7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -15.030 3.190 -8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.769 2.223 -9.539 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -13.049 0.634 -10.258 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.372 4.828 -4.938 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.393 5.243 -3.947 1.00 0.00 C ATOM 1163 C VAL A 79 -10.501 4.053 -3.588 1.00 0.00 C ATOM 1164 O VAL A 79 -10.956 2.910 -3.586 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.102 5.846 -2.732 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.097 6.218 -1.640 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -12.946 7.056 -3.135 1.00 0.00 C ATOM 0 H VAL A 79 -13.291 4.599 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.748 6.023 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.773 5.089 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.627 6.644 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.558 5.326 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.390 6.950 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.439 7.466 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.303 7.817 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.698 6.749 -3.862 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.247 4.362 -3.294 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.286 3.333 -2.935 1.00 0.00 C ATOM 1179 C LEU A 80 -8.122 3.303 -1.414 1.00 0.00 C ATOM 1180 O LEU A 80 -7.830 4.326 -0.798 1.00 0.00 O ATOM 1181 CB LEU A 80 -6.973 3.538 -3.692 1.00 0.00 C ATOM 1182 CG LEU A 80 -7.064 3.493 -5.218 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.700 3.762 -5.857 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.668 2.170 -5.693 1.00 0.00 C ATOM 0 H LEU A 80 -8.874 5.311 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.649 2.350 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.556 4.502 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.267 2.774 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.735 4.288 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.793 3.724 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.346 4.748 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.988 3.005 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.721 2.164 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.043 1.343 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.671 2.059 -5.280 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.317 2.119 -0.853 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.194 1.942 0.584 1.00 0.00 C ATOM 1198 C ASP A 81 -6.789 1.434 0.913 1.00 0.00 C ATOM 1199 O ASP A 81 -6.504 0.246 0.766 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.202 0.913 1.101 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.412 1.503 1.827 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -10.185 2.370 2.699 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -11.538 1.072 1.495 1.00 0.00 O ATOM 0 H ASP A 81 -8.559 1.272 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.385 2.904 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.557 0.319 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.688 0.231 1.778 1.00 0.00 H new ATOM 1208 N ILE A 82 -5.947 2.359 1.351 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.579 2.019 1.702 1.00 0.00 C ATOM 1210 C ILE A 82 -4.409 2.108 3.220 1.00 0.00 C ATOM 1211 O ILE A 82 -5.212 2.742 3.902 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.593 2.892 0.921 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.094 3.144 -0.502 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.190 2.282 0.936 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.052 3.909 -1.322 1.00 0.00 C ATOM 0 H ILE A 82 -6.186 3.343 1.471 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.357 0.991 1.415 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.527 3.861 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.317 2.194 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.024 3.711 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.509 2.922 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.841 2.196 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.218 1.293 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.433 4.075 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.849 4.869 -0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.131 3.328 -1.373 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.358 1.462 3.704 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.072 1.460 5.129 1.00 0.00 C ATOM 1229 C ASN A 83 -1.636 0.984 5.356 1.00 0.00 C ATOM 1230 O ASN A 83 -1.044 0.347 4.485 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.009 0.509 5.877 1.00 0.00 C ATOM 1232 CG ASN A 83 -3.481 0.210 7.281 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -3.465 1.056 8.160 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.050 -1.038 7.442 1.00 0.00 N ATOM 0 H ASN A 83 -2.694 0.937 3.135 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.213 2.474 5.503 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.003 0.951 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.111 -0.421 5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.678 -1.337 8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.092 -1.696 6.664 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.117 1.310 6.531 1.00 0.00 N ATOM 1242 CA LEU A 84 0.238 0.924 6.883 1.00 0.00 C ATOM 1243 C LEU A 84 0.245 -0.536 7.340 1.00 0.00 C ATOM 1244 O LEU A 84 -0.626 -0.957 8.100 1.00 0.00 O ATOM 1245 CB LEU A 84 0.821 1.893 7.913 1.00 0.00 C ATOM 1246 CG LEU A 84 2.004 2.741 7.442 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.415 3.753 8.514 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.176 1.856 7.011 1.00 0.00 C ATOM 0 H LEU A 84 -1.611 1.837 7.251 1.00 0.00 H new ATOM 0 HA LEU A 84 0.891 0.990 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.027 2.564 8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.135 1.319 8.785 1.00 0.00 H new ATOM 0 HG LEU A 84 1.690 3.309 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.258 4.343 8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.576 4.414 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.704 3.224 9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.004 2.484 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.498 1.244 7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.862 1.209 6.192 1.00 0.00 H new ATOM 1260 N ALA A 85 1.238 -1.269 6.859 1.00 0.00 N ATOM 1261 CA ALA A 85 1.370 -2.673 7.208 1.00 0.00 C ATOM 1262 C ALA A 85 1.668 -2.796 8.704 1.00 0.00 C ATOM 1263 O ALA A 85 2.803 -3.068 9.094 1.00 0.00 O ATOM 1264 CB ALA A 85 2.456 -3.316 6.342 1.00 0.00 C ATOM 0 H ALA A 85 1.959 -0.917 6.230 1.00 0.00 H new ATOM 0 HA ALA A 85 0.440 -3.206 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.554 -4.369 6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.182 -3.228 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.406 -2.809 6.513 1.00 0.00 H new ATOM 1270 N ALA A 86 0.630 -2.590 9.501 1.00 0.00 N ATOM 1271 CA ALA A 86 0.767 -2.674 10.945 1.00 0.00 C ATOM 1272 C ALA A 86 -0.623 -2.743 11.581 1.00 0.00 C ATOM 1273 O ALA A 86 -0.914 -3.660 12.347 1.00 0.00 O ATOM 1274 CB ALA A 86 1.581 -1.482 11.451 1.00 0.00 C ATOM 0 H ALA A 86 -0.310 -2.365 9.174 1.00 0.00 H new ATOM 0 HA ALA A 86 1.305 -3.579 11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.684 -1.545 12.534 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.569 -1.495 10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.071 -0.555 11.188 1.00 0.00 H new