USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 664 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 50 TYR OH : rot 180:sc= -0.0113 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 150:sc= -0.336 (180deg=-1.13) USER MOD Set 2.1: A 22 ASN : amide:sc= -0.0961 K(o=-0.37,f=-1.3) USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -0.206 F(o=-1.7,f=-0.37) USER MOD Set 2.3: A 100 SER OG : rot 180:sc= -0.0632 USER MOD Single : A 17 THR OG1 : rot 26:sc= 0.31! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.051 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.67 F(o=-2.3!,f=-1.7) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.49) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot -132:sc= 0.407 USER MOD Single : A 78 GLN :FLIP amide:sc= -5.78! C(o=-8.1!,f=-5.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -7.96! C(o=-8!,f=-20!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0.156 X(o=0.16,f=-0.034) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 97 TYR OH : rot 180:sc= -0.284 USER MOD Single : A 104 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.62) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 16 -7.021 0.998 3.008 1.00 0.00 N ATOM 197 CA VAL A 16 -5.672 0.455 2.894 1.00 0.00 C ATOM 198 C VAL A 16 -5.627 -1.003 3.337 1.00 0.00 C ATOM 199 O VAL A 16 -6.218 -1.374 4.353 1.00 0.00 O ATOM 200 CB VAL A 16 -4.667 1.266 3.733 1.00 0.00 C ATOM 201 CG1 VAL A 16 -3.501 0.390 4.164 1.00 0.00 C ATOM 202 CG2 VAL A 16 -4.176 2.476 2.952 1.00 0.00 C ATOM 0 HA VAL A 16 -5.393 0.521 1.842 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.173 1.622 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.802 0.981 4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.872 -0.441 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.992 0.002 3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.467 3.038 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.686 2.144 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.023 3.114 2.700 1.00 0.00 H new ATOM 212 N THR A 17 -4.922 -1.828 2.569 1.00 0.00 N ATOM 213 CA THR A 17 -4.800 -3.246 2.882 1.00 0.00 C ATOM 214 C THR A 17 -3.383 -3.746 2.625 1.00 0.00 C ATOM 215 O THR A 17 -2.830 -3.542 1.545 1.00 0.00 O ATOM 216 CB THR A 17 -5.788 -4.091 2.056 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.356 -4.156 0.692 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.190 -3.503 2.121 1.00 0.00 C ATOM 0 H THR A 17 -4.427 -1.538 1.726 1.00 0.00 H new ATOM 0 HA THR A 17 -5.035 -3.357 3.941 1.00 0.00 H new ATOM 0 HB THR A 17 -5.813 -5.096 2.478 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.386 -4.026 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.870 -4.117 1.530 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.528 -3.482 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.178 -2.489 1.722 1.00 0.00 H new ATOM 226 N GLU A 18 -2.802 -4.403 3.624 1.00 0.00 N ATOM 227 CA GLU A 18 -1.448 -4.931 3.504 1.00 0.00 C ATOM 228 C GLU A 18 -1.471 -6.383 3.035 1.00 0.00 C ATOM 229 O GLU A 18 -2.047 -7.249 3.691 1.00 0.00 O ATOM 230 CB GLU A 18 -0.716 -4.828 4.843 1.00 0.00 C ATOM 231 CG GLU A 18 -0.059 -3.478 5.076 1.00 0.00 C ATOM 232 CD GLU A 18 0.017 -3.111 6.545 1.00 0.00 C ATOM 233 OE1 GLU A 18 0.653 -3.864 7.312 1.00 0.00 O ATOM 234 OE2 GLU A 18 -0.560 -2.072 6.928 1.00 0.00 O ATOM 0 H GLU A 18 -3.247 -4.582 4.524 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.917 -4.335 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.423 -5.023 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.046 -5.606 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.947 -3.491 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.618 -2.709 4.542 1.00 0.00 H new ATOM 241 N GLU A 19 -0.839 -6.640 1.893 1.00 0.00 N ATOM 242 CA GLU A 19 -0.788 -7.986 1.336 1.00 0.00 C ATOM 243 C GLU A 19 0.648 -8.388 1.013 1.00 0.00 C ATOM 244 O GLU A 19 1.455 -7.559 0.591 1.00 0.00 O ATOM 245 CB GLU A 19 -1.649 -8.072 0.073 1.00 0.00 C ATOM 246 CG GLU A 19 -1.774 -9.481 -0.483 1.00 0.00 C ATOM 247 CD GLU A 19 -2.889 -10.271 0.175 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.203 -9.986 1.350 1.00 0.00 O ATOM 249 OE2 GLU A 19 -3.447 -11.173 -0.484 1.00 0.00 O ATOM 0 H GLU A 19 -0.356 -5.934 1.337 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.181 -8.675 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.645 -7.688 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.222 -7.425 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.955 -9.429 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.830 -10.008 -0.344 1.00 0.00 H new ATOM 256 N GLU A 20 0.960 -9.664 1.216 1.00 0.00 N ATOM 257 CA GLU A 20 2.299 -10.175 0.948 1.00 0.00 C ATOM 258 C GLU A 20 2.334 -10.947 -0.367 1.00 0.00 C ATOM 259 O GLU A 20 1.595 -11.915 -0.550 1.00 0.00 O ATOM 260 CB GLU A 20 2.764 -11.076 2.094 1.00 0.00 C ATOM 261 CG GLU A 20 4.271 -11.085 2.288 1.00 0.00 C ATOM 262 CD GLU A 20 4.710 -12.016 3.402 1.00 0.00 C ATOM 263 OE1 GLU A 20 4.519 -13.242 3.261 1.00 0.00 O ATOM 264 OE2 GLU A 20 5.246 -11.518 4.414 1.00 0.00 O ATOM 0 H GLU A 20 0.304 -10.363 1.565 1.00 0.00 H new ATOM 0 HA GLU A 20 2.975 -9.324 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.289 -10.748 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.424 -12.094 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.752 -11.386 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.611 -10.073 2.510 1.00 0.00 H new ATOM 271 N ILE A 21 3.197 -10.513 -1.279 1.00 0.00 N ATOM 272 CA ILE A 21 3.329 -11.163 -2.577 1.00 0.00 C ATOM 273 C ILE A 21 4.537 -12.092 -2.606 1.00 0.00 C ATOM 274 O ILE A 21 5.678 -11.647 -2.490 1.00 0.00 O ATOM 275 CB ILE A 21 3.461 -10.131 -3.713 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.274 -9.166 -3.695 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.558 -10.835 -5.059 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.939 -9.846 -3.905 1.00 0.00 C ATOM 0 H ILE A 21 3.816 -9.714 -1.143 1.00 0.00 H new ATOM 0 HA ILE A 21 2.421 -11.746 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 21 4.374 -9.557 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.258 -8.640 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.416 -8.414 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.651 -10.093 -5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.432 -11.486 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.660 -11.431 -5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.143 -9.101 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.935 -10.349 -4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.775 -10.578 -3.114 1.00 0.00 H new ATOM 290 N ASN A 22 4.278 -13.386 -2.763 1.00 0.00 N ATOM 291 CA ASN A 22 5.346 -14.379 -2.809 1.00 0.00 C ATOM 292 C ASN A 22 5.622 -14.815 -4.245 1.00 0.00 C ATOM 293 O ASN A 22 4.850 -15.572 -4.835 1.00 0.00 O ATOM 294 CB ASN A 22 4.976 -15.595 -1.958 1.00 0.00 C ATOM 295 CG ASN A 22 5.340 -15.411 -0.497 1.00 0.00 C ATOM 296 OD1 ASN A 22 6.180 -16.133 0.041 1.00 0.00 O ATOM 297 ND2 ASN A 22 4.708 -14.440 0.152 1.00 0.00 N ATOM 0 H ASN A 22 3.339 -13.772 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 22 6.250 -13.923 -2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.905 -15.782 -2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.485 -16.476 -2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.912 -14.268 1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.019 -13.866 -0.334 1.00 0.00 H new ATOM 304 N LEU A 23 6.727 -14.332 -4.802 1.00 0.00 N ATOM 305 CA LEU A 23 7.107 -14.672 -6.169 1.00 0.00 C ATOM 306 C LEU A 23 8.370 -15.527 -6.187 1.00 0.00 C ATOM 307 O LEU A 23 9.164 -15.502 -5.246 1.00 0.00 O ATOM 308 CB LEU A 23 7.327 -13.399 -6.989 1.00 0.00 C ATOM 309 CG LEU A 23 6.069 -12.614 -7.360 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.438 -11.255 -7.935 1.00 0.00 C ATOM 311 CD2 LEU A 23 5.222 -13.401 -8.350 1.00 0.00 C ATOM 0 H LEU A 23 7.376 -13.704 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 23 6.295 -15.248 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.990 -12.740 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.847 -13.668 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 23 5.483 -12.456 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.530 -10.710 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.003 -10.688 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.046 -11.391 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.331 -12.827 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.801 -13.590 -9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.927 -14.350 -7.903 1.00 0.00 H new ATOM 323 N THR A 24 8.551 -16.283 -7.265 1.00 0.00 N ATOM 324 CA THR A 24 9.718 -17.145 -7.407 1.00 0.00 C ATOM 325 C THR A 24 10.711 -16.566 -8.409 1.00 0.00 C ATOM 326 O THR A 24 10.326 -16.114 -9.487 1.00 0.00 O ATOM 327 CB THR A 24 9.318 -18.562 -7.858 1.00 0.00 C ATOM 328 OG1 THR A 24 8.200 -19.023 -7.091 1.00 0.00 O ATOM 329 CG2 THR A 24 10.481 -19.529 -7.699 1.00 0.00 C ATOM 0 H THR A 24 7.904 -16.316 -8.053 1.00 0.00 H new ATOM 0 HA THR A 24 10.189 -17.203 -6.426 1.00 0.00 H new ATOM 0 HB THR A 24 9.043 -18.520 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.951 -19.924 -7.385 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.174 -20.523 -8.024 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.321 -19.191 -8.307 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.783 -19.566 -6.652 1.00 0.00 H new ATOM 337 N ARG A 25 11.989 -16.585 -8.046 1.00 0.00 N ATOM 338 CA ARG A 25 13.037 -16.061 -8.914 1.00 0.00 C ATOM 339 C ARG A 25 13.448 -17.097 -9.956 1.00 0.00 C ATOM 340 O ARG A 25 13.774 -18.235 -9.620 1.00 0.00 O ATOM 341 CB ARG A 25 14.254 -15.645 -8.085 1.00 0.00 C ATOM 342 CG ARG A 25 15.372 -15.031 -8.912 1.00 0.00 C ATOM 343 CD ARG A 25 16.565 -14.658 -8.046 1.00 0.00 C ATOM 344 NE ARG A 25 17.242 -15.836 -7.511 1.00 0.00 N ATOM 345 CZ ARG A 25 18.285 -15.775 -6.690 1.00 0.00 C ATOM 346 NH1 ARG A 25 18.767 -14.599 -6.311 1.00 0.00 N ATOM 347 NH2 ARG A 25 18.847 -16.892 -6.245 1.00 0.00 N ATOM 0 H ARG A 25 12.324 -16.957 -7.157 1.00 0.00 H new ATOM 0 HA ARG A 25 12.642 -15.187 -9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.939 -14.929 -7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.640 -16.518 -7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.686 -15.736 -9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.001 -14.143 -9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.270 -14.070 -8.634 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.232 -14.026 -7.223 1.00 0.00 H new ATOM 0 HE ARG A 25 16.895 -16.756 -7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.337 -13.738 -6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.568 -14.555 -5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.478 -17.798 -6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.648 -16.844 -5.615 1.00 0.00 H new ATOM 400 N LEU A 30 13.292 -11.596 -11.455 1.00 0.00 N ATOM 401 CA LEU A 30 11.864 -11.615 -11.154 1.00 0.00 C ATOM 402 C LEU A 30 11.039 -11.377 -12.415 1.00 0.00 C ATOM 403 O LEU A 30 10.419 -12.297 -12.946 1.00 0.00 O ATOM 404 CB LEU A 30 11.531 -10.553 -10.104 1.00 0.00 C ATOM 405 CG LEU A 30 12.209 -10.718 -8.744 1.00 0.00 C ATOM 406 CD1 LEU A 30 11.983 -9.486 -7.882 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.694 -11.965 -8.039 1.00 0.00 C ATOM 0 HA LEU A 30 11.613 -12.599 -10.759 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.801 -9.576 -10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.452 -10.548 -9.951 1.00 0.00 H new ATOM 0 HG LEU A 30 13.281 -10.832 -8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.473 -9.622 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.400 -8.611 -8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.914 -9.341 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.188 -12.067 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.618 -11.880 -7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.908 -12.842 -8.649 1.00 0.00 H new ATOM 419 N GLY A 31 11.038 -10.135 -12.890 1.00 0.00 N ATOM 420 CA GLY A 31 10.288 -9.799 -14.085 1.00 0.00 C ATOM 421 C GLY A 31 9.491 -8.519 -13.929 1.00 0.00 C ATOM 422 O GLY A 31 8.357 -8.423 -14.400 1.00 0.00 O ATOM 0 H GLY A 31 11.543 -9.356 -12.468 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.976 -9.695 -14.924 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.611 -10.618 -14.327 1.00 0.00 H new ATOM 426 N PHE A 32 10.083 -7.532 -13.264 1.00 0.00 N ATOM 427 CA PHE A 32 9.419 -6.252 -13.044 1.00 0.00 C ATOM 428 C PHE A 32 10.406 -5.210 -12.525 1.00 0.00 C ATOM 429 O PHE A 32 11.328 -5.532 -11.777 1.00 0.00 O ATOM 430 CB PHE A 32 8.265 -6.416 -12.054 1.00 0.00 C ATOM 431 CG PHE A 32 8.710 -6.803 -10.672 1.00 0.00 C ATOM 432 CD1 PHE A 32 9.126 -5.838 -9.769 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.713 -8.131 -10.277 1.00 0.00 C ATOM 434 CE1 PHE A 32 9.537 -6.192 -8.497 1.00 0.00 C ATOM 435 CE2 PHE A 32 9.123 -8.490 -9.007 1.00 0.00 C ATOM 436 CZ PHE A 32 9.534 -7.519 -8.116 1.00 0.00 C ATOM 0 H PHE A 32 11.021 -7.594 -12.868 1.00 0.00 H new ATOM 0 HA PHE A 32 9.023 -5.907 -13.999 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.708 -5.480 -11.999 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.578 -7.174 -12.431 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.129 -4.798 -10.062 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.391 -8.895 -10.970 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.860 -5.431 -7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.122 -9.529 -8.712 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.853 -7.797 -7.122 1.00 0.00 H new ATOM 446 N ASN A 33 10.204 -3.960 -12.929 1.00 0.00 N ATOM 447 CA ASN A 33 11.076 -2.871 -12.506 1.00 0.00 C ATOM 448 C ASN A 33 10.479 -2.127 -11.315 1.00 0.00 C ATOM 449 O ASN A 33 9.267 -1.925 -11.241 1.00 0.00 O ATOM 450 CB ASN A 33 11.310 -1.898 -13.664 1.00 0.00 C ATOM 451 CG ASN A 33 12.661 -1.215 -13.582 1.00 0.00 C ATOM 452 OD1 ASN A 33 12.746 0.009 -13.484 1.00 0.00 O ATOM 453 ND2 ASN A 33 13.727 -2.007 -13.623 1.00 0.00 N ATOM 0 H ASN A 33 9.445 -3.677 -13.548 1.00 0.00 H new ATOM 0 HA ASN A 33 12.031 -3.300 -12.202 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.235 -2.437 -14.608 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.524 -1.143 -13.665 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.663 -1.605 -13.573 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.609 -3.017 -13.705 1.00 0.00 H new ATOM 460 N ILE A 34 11.339 -1.722 -10.386 1.00 0.00 N ATOM 461 CA ILE A 34 10.897 -1.000 -9.200 1.00 0.00 C ATOM 462 C ILE A 34 11.488 0.405 -9.160 1.00 0.00 C ATOM 463 O ILE A 34 12.541 0.665 -9.742 1.00 0.00 O ATOM 464 CB ILE A 34 11.286 -1.745 -7.910 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.786 -2.046 -7.901 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.481 -3.030 -7.777 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.373 -2.152 -6.511 1.00 0.00 C ATOM 0 H ILE A 34 12.345 -1.882 -10.432 1.00 0.00 H new ATOM 0 HA ILE A 34 9.811 -0.933 -9.258 1.00 0.00 H new ATOM 0 HB ILE A 34 11.058 -1.106 -7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.964 -2.980 -8.434 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.309 -1.262 -8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.767 -3.545 -6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.418 -2.791 -7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.680 -3.675 -8.633 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.439 -2.367 -6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.227 -1.211 -5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.877 -2.955 -5.967 1.00 0.00 H new ATOM 479 N VAL A 35 10.803 1.310 -8.467 1.00 0.00 N ATOM 480 CA VAL A 35 11.261 2.689 -8.348 1.00 0.00 C ATOM 481 C VAL A 35 11.346 3.116 -6.887 1.00 0.00 C ATOM 482 O VAL A 35 10.351 3.095 -6.164 1.00 0.00 O ATOM 483 CB VAL A 35 10.329 3.657 -9.101 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.380 3.392 -10.597 1.00 0.00 C ATOM 485 CG2 VAL A 35 8.906 3.540 -8.578 1.00 0.00 C ATOM 0 H VAL A 35 9.929 1.112 -7.980 1.00 0.00 H new ATOM 0 HA VAL A 35 12.255 2.732 -8.794 1.00 0.00 H new ATOM 0 HB VAL A 35 10.673 4.676 -8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.715 4.085 -11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.399 3.532 -10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.062 2.369 -10.796 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.261 4.231 -9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.548 2.520 -8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.887 3.785 -7.516 1.00 0.00 H new ATOM 495 N GLY A 36 12.544 3.503 -6.457 1.00 0.00 N ATOM 496 CA GLY A 36 12.737 3.929 -5.084 1.00 0.00 C ATOM 497 C GLY A 36 14.108 4.534 -4.852 1.00 0.00 C ATOM 498 O GLY A 36 14.931 4.590 -5.764 1.00 0.00 O ATOM 0 H GLY A 36 13.384 3.529 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.972 4.660 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.603 3.075 -4.420 1.00 0.00 H new ATOM 502 N GLY A 37 14.352 4.990 -3.627 1.00 0.00 N ATOM 503 CA GLY A 37 15.633 5.590 -3.301 1.00 0.00 C ATOM 504 C GLY A 37 15.520 7.072 -3.005 1.00 0.00 C ATOM 505 O GLY A 37 15.097 7.854 -3.858 1.00 0.00 O ATOM 0 H GLY A 37 13.686 4.955 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.059 5.081 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.323 5.440 -4.131 1.00 0.00 H new ATOM 509 N THR A 38 15.898 7.463 -1.792 1.00 0.00 N ATOM 510 CA THR A 38 15.835 8.861 -1.384 1.00 0.00 C ATOM 511 C THR A 38 16.262 9.784 -2.520 1.00 0.00 C ATOM 512 O THR A 38 15.775 10.909 -2.634 1.00 0.00 O ATOM 513 CB THR A 38 16.726 9.129 -0.157 1.00 0.00 C ATOM 514 OG1 THR A 38 18.051 8.642 -0.398 1.00 0.00 O ATOM 515 CG2 THR A 38 16.153 8.461 1.084 1.00 0.00 C ATOM 0 H THR A 38 16.251 6.830 -1.074 1.00 0.00 H new ATOM 0 HA THR A 38 14.797 9.068 -1.122 1.00 0.00 H new ATOM 0 HB THR A 38 16.760 10.205 0.012 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.612 8.818 0.386 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.799 8.664 1.938 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.156 8.855 1.282 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.093 7.385 0.923 1.00 0.00 H new ATOM 523 N ASP A 39 17.173 9.302 -3.357 1.00 0.00 N ATOM 524 CA ASP A 39 17.664 10.084 -4.486 1.00 0.00 C ATOM 525 C ASP A 39 16.744 9.934 -5.693 1.00 0.00 C ATOM 526 O ASP A 39 16.514 10.891 -6.431 1.00 0.00 O ATOM 527 CB ASP A 39 19.084 9.651 -4.854 1.00 0.00 C ATOM 528 CG ASP A 39 19.589 10.332 -6.111 1.00 0.00 C ATOM 529 OD1 ASP A 39 19.969 11.519 -6.031 1.00 0.00 O ATOM 530 OD2 ASP A 39 19.604 9.678 -7.176 1.00 0.00 O ATOM 0 H ASP A 39 17.587 8.373 -3.275 1.00 0.00 H new ATOM 0 HA ASP A 39 17.677 11.133 -4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.756 9.878 -4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.106 8.570 -4.996 1.00 0.00 H new ATOM 535 N GLN A 40 16.221 8.727 -5.886 1.00 0.00 N ATOM 536 CA GLN A 40 15.327 8.453 -7.004 1.00 0.00 C ATOM 537 C GLN A 40 13.891 8.275 -6.523 1.00 0.00 C ATOM 538 O GLN A 40 13.138 7.472 -7.073 1.00 0.00 O ATOM 539 CB GLN A 40 15.785 7.201 -7.755 1.00 0.00 C ATOM 540 CG GLN A 40 17.209 7.292 -8.280 1.00 0.00 C ATOM 541 CD GLN A 40 17.282 7.904 -9.665 1.00 0.00 C ATOM 542 OE1 GLN A 40 16.621 8.903 -9.950 1.00 0.00 O ATOM 543 NE2 GLN A 40 18.087 7.306 -10.535 1.00 0.00 N ATOM 0 H GLN A 40 16.401 7.924 -5.283 1.00 0.00 H new ATOM 0 HA GLN A 40 15.360 9.307 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.706 6.340 -7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.109 7.022 -8.591 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.809 7.888 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.648 6.295 -8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.616 6.480 -10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.176 7.673 -11.483 1.00 0.00 H new ATOM 552 N GLN A 41 13.520 9.028 -5.492 1.00 0.00 N ATOM 553 CA GLN A 41 12.175 8.952 -4.936 1.00 0.00 C ATOM 554 C GLN A 41 11.126 9.228 -6.009 1.00 0.00 C ATOM 555 O GLN A 41 10.926 10.373 -6.414 1.00 0.00 O ATOM 556 CB GLN A 41 12.019 9.947 -3.785 1.00 0.00 C ATOM 557 CG GLN A 41 12.828 9.582 -2.551 1.00 0.00 C ATOM 558 CD GLN A 41 12.441 10.400 -1.336 1.00 0.00 C ATOM 559 OE1 GLN A 41 11.146 10.453 -1.046 1.00 0.00 O flip ATOM 560 NE2 GLN A 41 13.295 10.978 -0.664 1.00 0.00 N flip ATOM 0 H GLN A 41 14.132 9.697 -5.025 1.00 0.00 H new ATOM 0 HA GLN A 41 12.023 7.942 -4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.321 10.937 -4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.966 10.012 -3.512 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.689 8.524 -2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.888 9.728 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.279 10.910 -0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.018 11.524 0.152 1.00 0.00 H new ATOM 569 N TYR A 42 10.461 8.173 -6.464 1.00 0.00 N ATOM 570 CA TYR A 42 9.434 8.301 -7.492 1.00 0.00 C ATOM 571 C TYR A 42 8.535 9.503 -7.217 1.00 0.00 C ATOM 572 O TYR A 42 7.955 10.082 -8.135 1.00 0.00 O ATOM 573 CB TYR A 42 8.592 7.026 -7.564 1.00 0.00 C ATOM 574 CG TYR A 42 7.845 6.867 -8.869 1.00 0.00 C ATOM 575 CD1 TYR A 42 8.462 6.312 -9.983 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.521 7.272 -8.987 1.00 0.00 C ATOM 577 CE1 TYR A 42 7.783 6.166 -11.177 1.00 0.00 C ATOM 578 CE2 TYR A 42 5.833 7.128 -10.176 1.00 0.00 C ATOM 579 CZ TYR A 42 6.469 6.575 -11.269 1.00 0.00 C ATOM 580 OH TYR A 42 5.788 6.429 -12.456 1.00 0.00 O ATOM 0 H TYR A 42 10.614 7.219 -6.138 1.00 0.00 H new ATOM 0 HA TYR A 42 9.932 8.454 -8.450 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.242 6.163 -7.419 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.875 7.027 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.490 5.989 -9.914 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.021 7.707 -8.134 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.278 5.734 -12.034 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.804 7.446 -10.250 1.00 0.00 H new ATOM 0 HH TYR A 42 4.873 6.765 -12.352 1.00 0.00 H new ATOM 590 N VAL A 43 8.425 9.872 -5.944 1.00 0.00 N ATOM 591 CA VAL A 43 7.599 11.006 -5.546 1.00 0.00 C ATOM 592 C VAL A 43 8.219 11.751 -4.369 1.00 0.00 C ATOM 593 O VAL A 43 8.801 11.141 -3.472 1.00 0.00 O ATOM 594 CB VAL A 43 6.177 10.556 -5.164 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.170 11.656 -5.465 1.00 0.00 C ATOM 596 CG2 VAL A 43 5.810 9.272 -5.892 1.00 0.00 C ATOM 0 H VAL A 43 8.897 9.402 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 43 7.542 11.674 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 43 6.153 10.358 -4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.171 11.320 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.424 12.548 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.193 11.889 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.802 8.969 -5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.851 9.440 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.514 8.486 -5.621 1.00 0.00 H new ATOM 606 N SER A 44 8.089 13.073 -4.378 1.00 0.00 N ATOM 607 CA SER A 44 8.639 13.903 -3.313 1.00 0.00 C ATOM 608 C SER A 44 8.049 13.513 -1.961 1.00 0.00 C ATOM 609 O SER A 44 8.655 13.747 -0.916 1.00 0.00 O ATOM 610 CB SER A 44 8.363 15.381 -3.595 1.00 0.00 C ATOM 611 OG SER A 44 9.015 15.805 -4.779 1.00 0.00 O ATOM 0 H SER A 44 7.607 13.593 -5.111 1.00 0.00 H new ATOM 0 HA SER A 44 9.717 13.742 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.289 15.542 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.702 15.985 -2.753 1.00 0.00 H new ATOM 0 HG SER A 44 8.821 16.752 -4.938 1.00 0.00 H new ATOM 617 N ASN A 45 6.862 12.916 -1.990 1.00 0.00 N ATOM 618 CA ASN A 45 6.189 12.493 -0.768 1.00 0.00 C ATOM 619 C ASN A 45 6.295 10.982 -0.583 1.00 0.00 C ATOM 620 O ASN A 45 5.774 10.426 0.384 1.00 0.00 O ATOM 621 CB ASN A 45 4.717 12.911 -0.800 1.00 0.00 C ATOM 622 CG ASN A 45 4.149 12.919 -2.206 1.00 0.00 C ATOM 623 OD1 ASN A 45 3.559 11.936 -2.655 1.00 0.00 O ATOM 624 ND2 ASN A 45 4.326 14.032 -2.910 1.00 0.00 N ATOM 0 H ASN A 45 6.346 12.714 -2.847 1.00 0.00 H new ATOM 0 HA ASN A 45 6.680 12.980 0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.135 12.229 -0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.615 13.905 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.967 14.096 -3.862 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.821 14.823 -2.498 1.00 0.00 H new ATOM 631 N ASP A 46 6.975 10.324 -1.516 1.00 0.00 N ATOM 632 CA ASP A 46 7.152 8.878 -1.455 1.00 0.00 C ATOM 633 C ASP A 46 8.631 8.508 -1.530 1.00 0.00 C ATOM 634 O ASP A 46 9.316 8.841 -2.497 1.00 0.00 O ATOM 635 CB ASP A 46 6.386 8.201 -2.593 1.00 0.00 C ATOM 636 CG ASP A 46 4.902 8.504 -2.552 1.00 0.00 C ATOM 637 OD1 ASP A 46 4.462 9.191 -1.606 1.00 0.00 O ATOM 638 OD2 ASP A 46 4.179 8.055 -3.466 1.00 0.00 O ATOM 0 H ASP A 46 7.412 10.769 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 46 6.756 8.528 -0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.795 8.530 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.535 7.123 -2.537 1.00 0.00 H new ATOM 643 N SER A 47 9.115 7.818 -0.502 1.00 0.00 N ATOM 644 CA SER A 47 10.513 7.408 -0.448 1.00 0.00 C ATOM 645 C SER A 47 10.632 5.887 -0.430 1.00 0.00 C ATOM 646 O SER A 47 11.722 5.340 -0.263 1.00 0.00 O ATOM 647 CB SER A 47 11.194 7.999 0.788 1.00 0.00 C ATOM 648 OG SER A 47 10.595 7.517 1.979 1.00 0.00 O ATOM 0 H SER A 47 8.560 7.531 0.304 1.00 0.00 H new ATOM 0 HA SER A 47 11.011 7.784 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.254 7.743 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.128 9.087 0.758 1.00 0.00 H new ATOM 0 HG SER A 47 11.049 7.908 2.755 1.00 0.00 H new ATOM 654 N GLY A 48 9.501 5.209 -0.602 1.00 0.00 N ATOM 655 CA GLY A 48 9.499 3.757 -0.602 1.00 0.00 C ATOM 656 C GLY A 48 9.684 3.177 -1.990 1.00 0.00 C ATOM 657 O GLY A 48 9.790 3.916 -2.970 1.00 0.00 O ATOM 0 H GLY A 48 8.587 5.639 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.295 3.396 0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.559 3.398 -0.184 1.00 0.00 H new ATOM 661 N ILE A 49 9.725 1.852 -2.075 1.00 0.00 N ATOM 662 CA ILE A 49 9.899 1.174 -3.354 1.00 0.00 C ATOM 663 C ILE A 49 8.553 0.838 -3.986 1.00 0.00 C ATOM 664 O ILE A 49 7.679 0.258 -3.340 1.00 0.00 O ATOM 665 CB ILE A 49 10.717 -0.122 -3.197 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.956 0.133 -2.336 1.00 0.00 C ATOM 667 CG2 ILE A 49 11.116 -0.665 -4.561 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.777 1.318 -2.794 1.00 0.00 C ATOM 0 H ILE A 49 9.640 1.226 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 49 10.441 1.861 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 49 10.098 -0.867 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.644 0.294 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.584 -0.758 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.693 -1.581 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.220 -0.879 -5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.721 0.075 -5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.639 1.439 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.119 1.151 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.165 2.220 -2.759 1.00 0.00 H new ATOM 680 N TYR A 50 8.392 1.205 -5.252 1.00 0.00 N ATOM 681 CA TYR A 50 7.152 0.943 -5.973 1.00 0.00 C ATOM 682 C TYR A 50 7.431 0.262 -7.309 1.00 0.00 C ATOM 683 O TYR A 50 8.580 -0.030 -7.642 1.00 0.00 O ATOM 684 CB TYR A 50 6.386 2.247 -6.202 1.00 0.00 C ATOM 685 CG TYR A 50 6.116 3.023 -4.932 1.00 0.00 C ATOM 686 CD1 TYR A 50 7.157 3.584 -4.204 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.820 3.194 -4.462 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.915 4.293 -3.043 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.569 3.903 -3.303 1.00 0.00 C ATOM 690 CZ TYR A 50 5.620 4.450 -2.597 1.00 0.00 C ATOM 691 OH TYR A 50 5.375 5.156 -1.441 1.00 0.00 O ATOM 0 H TYR A 50 9.105 1.685 -5.801 1.00 0.00 H new ATOM 0 HA TYR A 50 6.543 0.273 -5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.953 2.876 -6.888 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.437 2.020 -6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.173 3.464 -4.551 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.995 2.766 -5.012 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.736 4.722 -2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.555 4.028 -2.952 1.00 0.00 H new ATOM 0 HH TYR A 50 4.411 5.174 -1.267 1.00 0.00 H new ATOM 701 N VAL A 51 6.371 0.012 -8.071 1.00 0.00 N ATOM 702 CA VAL A 51 6.500 -0.633 -9.372 1.00 0.00 C ATOM 703 C VAL A 51 6.121 0.322 -10.499 1.00 0.00 C ATOM 704 O VAL A 51 5.076 0.971 -10.451 1.00 0.00 O ATOM 705 CB VAL A 51 5.619 -1.893 -9.464 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.679 -2.486 -10.864 1.00 0.00 C ATOM 707 CG2 VAL A 51 6.047 -2.918 -8.424 1.00 0.00 C ATOM 0 H VAL A 51 5.413 0.246 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 51 7.546 -0.921 -9.480 1.00 0.00 H new ATOM 0 HB VAL A 51 4.587 -1.609 -9.259 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.050 -3.375 -10.910 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.322 -1.752 -11.586 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.708 -2.756 -11.101 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.414 -3.802 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.086 -3.199 -8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.948 -2.488 -7.427 1.00 0.00 H new ATOM 717 N SER A 52 6.977 0.402 -11.512 1.00 0.00 N ATOM 718 CA SER A 52 6.734 1.280 -12.651 1.00 0.00 C ATOM 719 C SER A 52 6.351 0.473 -13.888 1.00 0.00 C ATOM 720 O SER A 52 5.421 0.829 -14.611 1.00 0.00 O ATOM 721 CB SER A 52 7.974 2.126 -12.944 1.00 0.00 C ATOM 722 OG SER A 52 7.851 2.800 -14.184 1.00 0.00 O ATOM 0 H SER A 52 7.845 -0.130 -11.568 1.00 0.00 H new ATOM 0 HA SER A 52 5.904 1.940 -12.398 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.119 2.853 -12.145 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.858 1.488 -12.959 1.00 0.00 H new ATOM 0 HG SER A 52 8.656 3.335 -14.347 1.00 0.00 H new ATOM 728 N ARG A 53 7.075 -0.616 -14.123 1.00 0.00 N ATOM 729 CA ARG A 53 6.813 -1.474 -15.273 1.00 0.00 C ATOM 730 C ARG A 53 6.950 -2.946 -14.895 1.00 0.00 C ATOM 731 O ARG A 53 7.796 -3.311 -14.078 1.00 0.00 O ATOM 732 CB ARG A 53 7.774 -1.138 -16.415 1.00 0.00 C ATOM 733 CG ARG A 53 7.260 -1.553 -17.784 1.00 0.00 C ATOM 734 CD ARG A 53 7.690 -2.969 -18.136 1.00 0.00 C ATOM 735 NE ARG A 53 8.986 -2.995 -18.808 1.00 0.00 N ATOM 736 CZ ARG A 53 9.408 -4.013 -19.551 1.00 0.00 C ATOM 737 NH1 ARG A 53 8.639 -5.080 -19.716 1.00 0.00 N ATOM 738 NH2 ARG A 53 10.600 -3.963 -20.132 1.00 0.00 N ATOM 0 H ARG A 53 7.847 -0.925 -13.533 1.00 0.00 H new ATOM 0 HA ARG A 53 5.790 -1.295 -15.603 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.962 -0.064 -16.417 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.730 -1.629 -16.231 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.172 -1.487 -17.800 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.632 -0.860 -18.539 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.740 -3.569 -17.228 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.939 -3.427 -18.779 1.00 0.00 H new ATOM 0 HE ARG A 53 9.601 -2.188 -18.701 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.721 -5.121 -19.272 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.965 -5.860 -20.287 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.193 -3.143 -20.009 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.923 -4.745 -20.702 1.00 0.00 H new ATOM 752 N ILE A 54 6.111 -3.785 -15.493 1.00 0.00 N ATOM 753 CA ILE A 54 6.139 -5.216 -15.220 1.00 0.00 C ATOM 754 C ILE A 54 6.262 -6.020 -16.510 1.00 0.00 C ATOM 755 O ILE A 54 5.515 -5.802 -17.464 1.00 0.00 O ATOM 756 CB ILE A 54 4.876 -5.670 -14.464 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.834 -5.038 -13.071 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.833 -7.187 -14.366 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.610 -5.423 -12.270 1.00 0.00 C ATOM 0 H ILE A 54 5.404 -3.498 -16.170 1.00 0.00 H new ATOM 0 HA ILE A 54 7.013 -5.401 -14.595 1.00 0.00 H new ATOM 0 HB ILE A 54 3.999 -5.337 -15.019 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.727 -5.333 -12.520 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.866 -3.953 -13.172 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.935 -7.492 -13.829 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.820 -7.616 -15.368 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.714 -7.542 -13.831 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.647 -4.939 -11.294 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.713 -5.103 -12.800 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.587 -6.505 -12.138 1.00 0.00 H new ATOM 771 N LYS A 55 7.209 -6.952 -16.531 1.00 0.00 N ATOM 772 CA LYS A 55 7.429 -7.793 -17.702 1.00 0.00 C ATOM 773 C LYS A 55 6.301 -8.806 -17.865 1.00 0.00 C ATOM 774 O LYS A 55 6.146 -9.712 -17.046 1.00 0.00 O ATOM 775 CB LYS A 55 8.771 -8.521 -17.588 1.00 0.00 C ATOM 776 CG LYS A 55 9.974 -7.601 -17.708 1.00 0.00 C ATOM 777 CD LYS A 55 11.172 -8.325 -18.298 1.00 0.00 C ATOM 778 CE LYS A 55 11.929 -9.108 -17.235 1.00 0.00 C ATOM 779 NZ LYS A 55 13.194 -9.685 -17.768 1.00 0.00 N ATOM 0 H LYS A 55 7.837 -7.144 -15.750 1.00 0.00 H new ATOM 0 HA LYS A 55 7.445 -7.150 -18.582 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.814 -9.038 -16.630 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.828 -9.284 -18.365 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.719 -6.747 -18.335 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.233 -7.209 -16.725 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.838 -9.004 -19.083 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.841 -7.603 -18.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.155 -8.453 -16.393 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.296 -9.910 -16.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.681 -10.211 -17.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.977 -10.329 -18.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.809 -8.918 -18.108 1.00 0.00 H new ATOM 793 N GLU A 56 5.518 -8.648 -18.927 1.00 0.00 N ATOM 794 CA GLU A 56 4.404 -9.550 -19.196 1.00 0.00 C ATOM 795 C GLU A 56 4.866 -11.005 -19.177 1.00 0.00 C ATOM 796 O GLU A 56 4.127 -11.896 -18.761 1.00 0.00 O ATOM 797 CB GLU A 56 3.769 -9.223 -20.549 1.00 0.00 C ATOM 798 CG GLU A 56 2.788 -10.279 -21.031 1.00 0.00 C ATOM 799 CD GLU A 56 1.984 -9.821 -22.233 1.00 0.00 C ATOM 800 OE1 GLU A 56 2.599 -9.369 -23.220 1.00 0.00 O ATOM 801 OE2 GLU A 56 0.739 -9.916 -22.185 1.00 0.00 O ATOM 0 H GLU A 56 5.634 -7.904 -19.615 1.00 0.00 H new ATOM 0 HA GLU A 56 3.660 -9.412 -18.411 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.253 -8.266 -20.477 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.558 -9.105 -21.292 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.334 -11.187 -21.288 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.107 -10.535 -20.219 1.00 0.00 H new ATOM 808 N ASN A 57 6.094 -11.235 -19.630 1.00 0.00 N ATOM 809 CA ASN A 57 6.655 -12.581 -19.666 1.00 0.00 C ATOM 810 C ASN A 57 7.567 -12.823 -18.467 1.00 0.00 C ATOM 811 O ASN A 57 8.635 -13.419 -18.596 1.00 0.00 O ATOM 812 CB ASN A 57 7.435 -12.796 -20.965 1.00 0.00 C ATOM 813 CG ASN A 57 6.665 -12.331 -22.186 1.00 0.00 C ATOM 814 OD1 ASN A 57 7.036 -11.350 -22.832 1.00 0.00 O ATOM 815 ND2 ASN A 57 5.586 -13.034 -22.508 1.00 0.00 N ATOM 0 H ASN A 57 6.719 -10.508 -19.977 1.00 0.00 H new ATOM 0 HA ASN A 57 5.830 -13.292 -19.622 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.382 -12.259 -20.910 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.674 -13.854 -21.071 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.028 -12.768 -23.319 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.315 -13.840 -21.944 1.00 0.00 H new ATOM 822 N GLY A 58 7.135 -12.357 -17.299 1.00 0.00 N ATOM 823 CA GLY A 58 7.923 -12.532 -16.093 1.00 0.00 C ATOM 824 C GLY A 58 7.175 -13.295 -15.018 1.00 0.00 C ATOM 825 O GLY A 58 5.961 -13.477 -15.106 1.00 0.00 O ATOM 0 H GLY A 58 6.253 -11.861 -17.167 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.843 -13.063 -16.338 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.212 -11.555 -15.706 1.00 0.00 H new ATOM 829 N ALA A 59 7.901 -13.745 -14.000 1.00 0.00 N ATOM 830 CA ALA A 59 7.299 -14.493 -12.903 1.00 0.00 C ATOM 831 C ALA A 59 6.153 -13.711 -12.270 1.00 0.00 C ATOM 832 O ALA A 59 5.134 -14.285 -11.889 1.00 0.00 O ATOM 833 CB ALA A 59 8.350 -14.834 -11.857 1.00 0.00 C ATOM 0 H ALA A 59 8.907 -13.605 -13.912 1.00 0.00 H new ATOM 0 HA ALA A 59 6.892 -15.420 -13.308 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.886 -15.392 -11.044 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.134 -15.440 -12.312 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.784 -13.915 -11.464 1.00 0.00 H new ATOM 839 N ALA A 60 6.328 -12.398 -12.160 1.00 0.00 N ATOM 840 CA ALA A 60 5.308 -11.538 -11.574 1.00 0.00 C ATOM 841 C ALA A 60 4.030 -11.557 -12.406 1.00 0.00 C ATOM 842 O ALA A 60 2.930 -11.674 -11.867 1.00 0.00 O ATOM 843 CB ALA A 60 5.831 -10.115 -11.440 1.00 0.00 C ATOM 0 H ALA A 60 7.167 -11.907 -12.469 1.00 0.00 H new ATOM 0 HA ALA A 60 5.071 -11.922 -10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.059 -9.483 -11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.712 -10.110 -10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.097 -9.731 -12.425 1.00 0.00 H new ATOM 849 N ALA A 61 4.183 -11.441 -13.721 1.00 0.00 N ATOM 850 CA ALA A 61 3.041 -11.447 -14.626 1.00 0.00 C ATOM 851 C ALA A 61 2.332 -12.797 -14.608 1.00 0.00 C ATOM 852 O ALA A 61 1.166 -12.893 -14.222 1.00 0.00 O ATOM 853 CB ALA A 61 3.486 -11.101 -16.039 1.00 0.00 C ATOM 0 H ALA A 61 5.087 -11.342 -14.183 1.00 0.00 H new ATOM 0 HA ALA A 61 2.334 -10.691 -14.284 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.623 -11.109 -16.705 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.940 -10.110 -16.045 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.215 -11.836 -16.381 1.00 0.00 H new ATOM 859 N LEU A 62 3.043 -13.838 -15.028 1.00 0.00 N ATOM 860 CA LEU A 62 2.481 -15.185 -15.060 1.00 0.00 C ATOM 861 C LEU A 62 1.655 -15.460 -13.808 1.00 0.00 C ATOM 862 O LEU A 62 0.547 -15.989 -13.887 1.00 0.00 O ATOM 863 CB LEU A 62 3.599 -16.221 -15.186 1.00 0.00 C ATOM 864 CG LEU A 62 4.414 -16.175 -16.479 1.00 0.00 C ATOM 865 CD1 LEU A 62 5.670 -17.023 -16.349 1.00 0.00 C ATOM 866 CD2 LEU A 62 3.572 -16.642 -17.658 1.00 0.00 C ATOM 0 H LEU A 62 4.009 -13.776 -15.351 1.00 0.00 H new ATOM 0 HA LEU A 62 1.826 -15.259 -15.928 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.281 -16.094 -14.345 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.159 -17.214 -15.092 1.00 0.00 H new ATOM 0 HG LEU A 62 4.714 -15.143 -16.660 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.237 -16.978 -17.279 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.283 -16.643 -15.531 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.392 -18.057 -16.143 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.169 -16.602 -18.569 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.240 -17.666 -17.485 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.703 -15.992 -17.765 1.00 0.00 H new ATOM 878 N ASP A 63 2.202 -15.097 -12.653 1.00 0.00 N ATOM 879 CA ASP A 63 1.515 -15.302 -11.383 1.00 0.00 C ATOM 880 C ASP A 63 0.284 -14.407 -11.281 1.00 0.00 C ATOM 881 O ASP A 63 -0.745 -14.808 -10.738 1.00 0.00 O ATOM 882 CB ASP A 63 2.462 -15.023 -10.215 1.00 0.00 C ATOM 883 CG ASP A 63 2.104 -15.821 -8.977 1.00 0.00 C ATOM 884 OD1 ASP A 63 1.447 -16.874 -9.118 1.00 0.00 O ATOM 885 OD2 ASP A 63 2.483 -15.394 -7.866 1.00 0.00 O ATOM 0 H ASP A 63 3.119 -14.659 -12.570 1.00 0.00 H new ATOM 0 HA ASP A 63 1.191 -16.342 -11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.483 -15.260 -10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.438 -13.959 -9.978 1.00 0.00 H new ATOM 890 N GLY A 64 0.397 -13.190 -11.806 1.00 0.00 N ATOM 891 CA GLY A 64 -0.713 -12.257 -11.762 1.00 0.00 C ATOM 892 C GLY A 64 -0.877 -11.615 -10.399 1.00 0.00 C ATOM 893 O GLY A 64 -1.700 -10.716 -10.224 1.00 0.00 O ATOM 0 H GLY A 64 1.238 -12.834 -12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.560 -11.479 -12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.633 -12.778 -12.028 1.00 0.00 H new ATOM 897 N ARG A 65 -0.093 -12.077 -9.431 1.00 0.00 N ATOM 898 CA ARG A 65 -0.158 -11.544 -8.075 1.00 0.00 C ATOM 899 C ARG A 65 0.167 -10.053 -8.062 1.00 0.00 C ATOM 900 O ARG A 65 -0.720 -9.215 -7.889 1.00 0.00 O ATOM 901 CB ARG A 65 0.812 -12.296 -7.162 1.00 0.00 C ATOM 902 CG ARG A 65 0.195 -13.508 -6.484 1.00 0.00 C ATOM 903 CD ARG A 65 -0.424 -13.143 -5.144 1.00 0.00 C ATOM 904 NE ARG A 65 -1.088 -11.843 -5.184 1.00 0.00 N ATOM 905 CZ ARG A 65 -2.014 -11.463 -4.311 1.00 0.00 C ATOM 906 NH1 ARG A 65 -2.383 -12.280 -3.333 1.00 0.00 N ATOM 907 NH2 ARG A 65 -2.573 -10.264 -4.413 1.00 0.00 N ATOM 0 H ARG A 65 0.595 -12.819 -9.560 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.174 -11.681 -7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.674 -12.617 -7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.183 -11.612 -6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.567 -13.940 -7.132 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.959 -14.272 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.144 -13.909 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.351 -13.131 -4.378 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.826 -11.191 -5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.955 -13.202 -3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.094 -11.986 -2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.292 -9.632 -5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.284 -9.974 -3.742 1.00 0.00 H new ATOM 921 N LEU A 66 1.442 -9.729 -8.245 1.00 0.00 N ATOM 922 CA LEU A 66 1.884 -8.338 -8.254 1.00 0.00 C ATOM 923 C LEU A 66 1.343 -7.602 -9.475 1.00 0.00 C ATOM 924 O LEU A 66 1.025 -8.219 -10.492 1.00 0.00 O ATOM 925 CB LEU A 66 3.412 -8.269 -8.238 1.00 0.00 C ATOM 926 CG LEU A 66 4.019 -6.882 -8.020 1.00 0.00 C ATOM 927 CD1 LEU A 66 4.071 -6.549 -6.537 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.408 -6.805 -8.635 1.00 0.00 C ATOM 0 H LEU A 66 2.188 -10.410 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 66 1.494 -7.853 -7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.777 -8.931 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.783 -8.662 -9.185 1.00 0.00 H new ATOM 0 HG LEU A 66 3.384 -6.147 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.506 -5.559 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.062 -6.562 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.683 -7.288 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.824 -5.811 -8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.053 -7.550 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.343 -6.998 -9.706 1.00 0.00 H new ATOM 940 N GLN A 67 1.244 -6.281 -9.368 1.00 0.00 N ATOM 941 CA GLN A 67 0.743 -5.462 -10.465 1.00 0.00 C ATOM 942 C GLN A 67 1.308 -4.047 -10.390 1.00 0.00 C ATOM 943 O GLN A 67 1.713 -3.587 -9.323 1.00 0.00 O ATOM 944 CB GLN A 67 -0.786 -5.415 -10.437 1.00 0.00 C ATOM 945 CG GLN A 67 -1.355 -4.881 -9.133 1.00 0.00 C ATOM 946 CD GLN A 67 -2.807 -4.464 -9.257 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.165 -3.323 -8.964 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.654 -5.389 -9.693 1.00 0.00 N ATOM 0 H GLN A 67 1.504 -5.755 -8.533 1.00 0.00 H new ATOM 0 HA GLN A 67 1.069 -5.915 -11.401 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.137 -4.791 -11.259 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.175 -6.418 -10.609 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.265 -5.646 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.762 -4.027 -8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.315 -6.323 -9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.644 -5.166 -9.796 1.00 0.00 H new ATOM 957 N GLU A 68 1.333 -3.364 -11.530 1.00 0.00 N ATOM 958 CA GLU A 68 1.850 -2.002 -11.592 1.00 0.00 C ATOM 959 C GLU A 68 1.113 -1.095 -10.611 1.00 0.00 C ATOM 960 O GLU A 68 -0.115 -1.019 -10.621 1.00 0.00 O ATOM 961 CB GLU A 68 1.721 -1.448 -13.012 1.00 0.00 C ATOM 962 CG GLU A 68 2.753 -2.003 -13.979 1.00 0.00 C ATOM 963 CD GLU A 68 2.284 -1.961 -15.421 1.00 0.00 C ATOM 964 OE1 GLU A 68 1.342 -2.707 -15.760 1.00 0.00 O ATOM 965 OE2 GLU A 68 2.860 -1.182 -16.209 1.00 0.00 O ATOM 0 H GLU A 68 1.002 -3.731 -12.422 1.00 0.00 H new ATOM 0 HA GLU A 68 2.904 -2.028 -11.314 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.724 -1.672 -13.391 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.813 -0.362 -12.979 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.677 -1.433 -13.885 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.984 -3.033 -13.706 1.00 0.00 H new ATOM 972 N GLY A 69 1.873 -0.407 -9.764 1.00 0.00 N ATOM 973 CA GLY A 69 1.276 0.485 -8.788 1.00 0.00 C ATOM 974 C GLY A 69 1.277 -0.101 -7.390 1.00 0.00 C ATOM 975 O GLY A 69 0.392 0.194 -6.586 1.00 0.00 O ATOM 0 H GLY A 69 2.892 -0.452 -9.737 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.820 1.430 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.251 0.709 -9.084 1.00 0.00 H new ATOM 979 N ASP A 70 2.270 -0.933 -7.100 1.00 0.00 N ATOM 980 CA ASP A 70 2.382 -1.563 -5.789 1.00 0.00 C ATOM 981 C ASP A 70 3.569 -0.998 -5.014 1.00 0.00 C ATOM 982 O ASP A 70 4.655 -0.817 -5.565 1.00 0.00 O ATOM 983 CB ASP A 70 2.530 -3.078 -5.938 1.00 0.00 C ATOM 984 CG ASP A 70 1.209 -3.762 -6.234 1.00 0.00 C ATOM 985 OD1 ASP A 70 0.320 -3.107 -6.816 1.00 0.00 O ATOM 986 OD2 ASP A 70 1.065 -4.951 -5.882 1.00 0.00 O ATOM 0 H ASP A 70 3.010 -1.188 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 70 1.471 -1.348 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.236 -3.294 -6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.952 -3.491 -5.022 1.00 0.00 H new ATOM 991 N LYS A 71 3.353 -0.720 -3.733 1.00 0.00 N ATOM 992 CA LYS A 71 4.404 -0.175 -2.881 1.00 0.00 C ATOM 993 C LYS A 71 4.949 -1.244 -1.939 1.00 0.00 C ATOM 994 O LYS A 71 4.363 -1.519 -0.891 1.00 0.00 O ATOM 995 CB LYS A 71 3.869 1.009 -2.071 1.00 0.00 C ATOM 996 CG LYS A 71 4.949 1.768 -1.319 1.00 0.00 C ATOM 997 CD LYS A 71 5.436 0.990 -0.108 1.00 0.00 C ATOM 998 CE LYS A 71 6.049 1.911 0.936 1.00 0.00 C ATOM 999 NZ LYS A 71 5.097 2.972 1.367 1.00 0.00 N ATOM 0 H LYS A 71 2.460 -0.863 -3.262 1.00 0.00 H new ATOM 0 HA LYS A 71 5.216 0.168 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.355 1.696 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.128 0.646 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.788 1.966 -1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.560 2.735 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.603 0.442 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.174 0.251 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.356 1.325 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.948 2.373 0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.296 3.237 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.206 3.806 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.123 2.615 1.294 1.00 0.00 H new ATOM 1013 N ILE A 72 6.073 -1.842 -2.318 1.00 0.00 N ATOM 1014 CA ILE A 72 6.698 -2.878 -1.505 1.00 0.00 C ATOM 1015 C ILE A 72 7.247 -2.300 -0.205 1.00 0.00 C ATOM 1016 O ILE A 72 8.341 -1.735 -0.176 1.00 0.00 O ATOM 1017 CB ILE A 72 7.840 -3.578 -2.265 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.323 -4.160 -3.582 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.460 -4.668 -1.404 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.367 -4.198 -4.677 1.00 0.00 C ATOM 0 H ILE A 72 6.570 -1.627 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 72 5.923 -3.610 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 72 8.610 -2.841 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.958 -5.171 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.473 -3.569 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.265 -5.153 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.860 -4.227 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.700 -5.406 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.931 -4.622 -5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.716 -3.186 -4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.208 -4.813 -4.357 1.00 0.00 H new ATOM 1032 N LEU A 73 6.482 -2.448 0.871 1.00 0.00 N ATOM 1033 CA LEU A 73 6.892 -1.943 2.177 1.00 0.00 C ATOM 1034 C LEU A 73 8.129 -2.679 2.681 1.00 0.00 C ATOM 1035 O LEU A 73 9.141 -2.060 3.009 1.00 0.00 O ATOM 1036 CB LEU A 73 5.750 -2.090 3.184 1.00 0.00 C ATOM 1037 CG LEU A 73 4.369 -1.646 2.703 1.00 0.00 C ATOM 1038 CD1 LEU A 73 3.279 -2.462 3.381 1.00 0.00 C ATOM 1039 CD2 LEU A 73 4.165 -0.161 2.964 1.00 0.00 C ATOM 0 H LEU A 73 5.574 -2.914 0.865 1.00 0.00 H new ATOM 0 HA LEU A 73 7.139 -0.887 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.689 -3.136 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.003 -1.517 4.076 1.00 0.00 H new ATOM 0 HG LEU A 73 4.308 -1.818 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.303 -2.131 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.413 -3.517 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.339 -2.323 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.176 0.137 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.247 0.035 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.925 0.410 2.431 1.00 0.00 H new ATOM 1051 N SER A 74 8.040 -4.004 2.739 1.00 0.00 N ATOM 1052 CA SER A 74 9.152 -4.824 3.205 1.00 0.00 C ATOM 1053 C SER A 74 9.359 -6.028 2.291 1.00 0.00 C ATOM 1054 O SER A 74 8.552 -6.292 1.400 1.00 0.00 O ATOM 1055 CB SER A 74 8.900 -5.296 4.639 1.00 0.00 C ATOM 1056 OG SER A 74 9.212 -4.277 5.573 1.00 0.00 O ATOM 0 H SER A 74 7.210 -4.532 2.469 1.00 0.00 H new ATOM 0 HA SER A 74 10.055 -4.214 3.184 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.856 -5.589 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.503 -6.180 4.846 1.00 0.00 H new ATOM 0 HG SER A 74 9.764 -4.650 6.292 1.00 0.00 H new ATOM 1062 N VAL A 75 10.449 -6.755 2.518 1.00 0.00 N ATOM 1063 CA VAL A 75 10.763 -7.932 1.716 1.00 0.00 C ATOM 1064 C VAL A 75 11.223 -9.089 2.596 1.00 0.00 C ATOM 1065 O VAL A 75 12.253 -9.005 3.262 1.00 0.00 O ATOM 1066 CB VAL A 75 11.858 -7.626 0.676 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.110 -8.839 -0.205 1.00 0.00 C ATOM 1068 CG2 VAL A 75 11.471 -6.418 -0.163 1.00 0.00 C ATOM 0 H VAL A 75 11.129 -6.550 3.250 1.00 0.00 H new ATOM 0 HA VAL A 75 9.848 -8.215 1.197 1.00 0.00 H new ATOM 0 HB VAL A 75 12.783 -7.392 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.886 -8.605 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.433 -9.677 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.191 -9.107 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.255 -6.215 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.535 -6.621 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.345 -5.550 0.485 1.00 0.00 H new ATOM 1078 N ASN A 76 10.450 -10.171 2.592 1.00 0.00 N ATOM 1079 CA ASN A 76 10.778 -11.347 3.390 1.00 0.00 C ATOM 1080 C ASN A 76 11.075 -10.958 4.835 1.00 0.00 C ATOM 1081 O ASN A 76 11.928 -11.558 5.488 1.00 0.00 O ATOM 1082 CB ASN A 76 11.980 -12.078 2.789 1.00 0.00 C ATOM 1083 CG ASN A 76 11.569 -13.137 1.784 1.00 0.00 C ATOM 1084 OD1 ASN A 76 12.121 -13.054 0.579 1.00 0.00 O flip ATOM 1085 ND2 ASN A 76 10.766 -14.018 2.088 1.00 0.00 N flip ATOM 0 H ASN A 76 9.593 -10.257 2.046 1.00 0.00 H new ATOM 0 HA ASN A 76 9.915 -12.013 3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.636 -11.355 2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.556 -12.544 3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.367 -14.043 3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.499 -14.724 1.402 1.00 0.00 H new ATOM 1092 N GLY A 77 10.365 -9.948 5.329 1.00 0.00 N ATOM 1093 CA GLY A 77 10.567 -9.496 6.693 1.00 0.00 C ATOM 1094 C GLY A 77 11.418 -8.244 6.770 1.00 0.00 C ATOM 1095 O GLY A 77 11.322 -7.479 7.728 1.00 0.00 O ATOM 0 H GLY A 77 9.653 -9.435 4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.599 -9.302 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.042 -10.290 7.269 1.00 0.00 H new ATOM 1099 N GLN A 78 12.254 -8.037 5.758 1.00 0.00 N ATOM 1100 CA GLN A 78 13.128 -6.870 5.716 1.00 0.00 C ATOM 1101 C GLN A 78 12.332 -5.587 5.934 1.00 0.00 C ATOM 1102 O GLN A 78 11.135 -5.627 6.219 1.00 0.00 O ATOM 1103 CB GLN A 78 13.866 -6.806 4.378 1.00 0.00 C ATOM 1104 CG GLN A 78 15.032 -7.776 4.280 1.00 0.00 C ATOM 1105 CD GLN A 78 14.586 -9.224 4.244 1.00 0.00 C ATOM 1106 OE1 GLN A 78 14.064 -9.711 5.363 1.00 0.00 O flip ATOM 1107 NE2 GLN A 78 14.709 -9.898 3.220 1.00 0.00 N flip ATOM 0 H GLN A 78 12.345 -8.661 4.957 1.00 0.00 H new ATOM 0 HA GLN A 78 13.858 -6.965 6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.161 -7.015 3.573 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.234 -5.792 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.609 -7.555 3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.697 -7.626 5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 78 15.116 -9.483 2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.404 -10.871 3.210 1.00 0.00 H new ATOM 1116 N ASP A 79 13.005 -4.450 5.797 1.00 0.00 N ATOM 1117 CA ASP A 79 12.361 -3.154 5.978 1.00 0.00 C ATOM 1118 C ASP A 79 12.914 -2.130 4.991 1.00 0.00 C ATOM 1119 O ASP A 79 14.058 -1.690 5.112 1.00 0.00 O ATOM 1120 CB ASP A 79 12.559 -2.657 7.411 1.00 0.00 C ATOM 1121 CG ASP A 79 11.798 -3.491 8.422 1.00 0.00 C ATOM 1122 OD1 ASP A 79 12.215 -4.640 8.679 1.00 0.00 O ATOM 1123 OD2 ASP A 79 10.785 -2.994 8.958 1.00 0.00 O ATOM 0 H ASP A 79 13.996 -4.399 5.561 1.00 0.00 H new ATOM 0 HA ASP A 79 11.295 -3.277 5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.621 -2.675 7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.233 -1.619 7.481 1.00 0.00 H new ATOM 1128 N LEU A 80 12.095 -1.756 4.014 1.00 0.00 N ATOM 1129 CA LEU A 80 12.501 -0.784 3.004 1.00 0.00 C ATOM 1130 C LEU A 80 12.165 0.635 3.448 1.00 0.00 C ATOM 1131 O LEU A 80 11.047 1.111 3.249 1.00 0.00 O ATOM 1132 CB LEU A 80 11.818 -1.089 1.670 1.00 0.00 C ATOM 1133 CG LEU A 80 12.007 -2.507 1.128 1.00 0.00 C ATOM 1134 CD1 LEU A 80 10.943 -2.827 0.090 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.399 -2.670 0.535 1.00 0.00 C ATOM 0 H LEU A 80 11.146 -2.111 3.900 1.00 0.00 H new ATOM 0 HA LEU A 80 13.581 -0.859 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.750 -0.903 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.189 -0.384 0.925 1.00 0.00 H new ATOM 0 HG LEU A 80 11.902 -3.209 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.093 -3.840 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.956 -2.751 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.016 -2.120 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.516 -3.685 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.533 -1.959 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.147 -2.483 1.306 1.00 0.00 H new ATOM 1147 N LYS A 81 13.140 1.309 4.049 1.00 0.00 N ATOM 1148 CA LYS A 81 12.949 2.676 4.519 1.00 0.00 C ATOM 1149 C LYS A 81 14.280 3.418 4.588 1.00 0.00 C ATOM 1150 O LYS A 81 15.313 2.830 4.905 1.00 0.00 O ATOM 1151 CB LYS A 81 12.282 2.676 5.896 1.00 0.00 C ATOM 1152 CG LYS A 81 12.936 1.731 6.889 1.00 0.00 C ATOM 1153 CD LYS A 81 12.445 1.982 8.305 1.00 0.00 C ATOM 1154 CE LYS A 81 13.284 3.038 9.007 1.00 0.00 C ATOM 1155 NZ LYS A 81 13.154 2.956 10.488 1.00 0.00 N ATOM 0 H LYS A 81 14.071 0.930 4.222 1.00 0.00 H new ATOM 0 HA LYS A 81 12.302 3.190 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.304 3.688 6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.233 2.401 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.722 0.700 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.018 1.854 6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.403 2.302 8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.479 1.052 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.330 2.916 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.978 4.028 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.741 3.692 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.160 3.098 10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.470 2.020 10.813 1.00 0.00 H new ATOM 1169 N ASN A 82 14.247 4.713 4.290 1.00 0.00 N ATOM 1170 CA ASN A 82 15.451 5.535 4.319 1.00 0.00 C ATOM 1171 C ASN A 82 16.610 4.827 3.623 1.00 0.00 C ATOM 1172 O ASN A 82 17.697 4.691 4.187 1.00 0.00 O ATOM 1173 CB ASN A 82 15.834 5.865 5.764 1.00 0.00 C ATOM 1174 CG ASN A 82 15.584 4.704 6.707 1.00 0.00 C ATOM 1175 OD1 ASN A 82 14.440 4.390 7.034 1.00 0.00 O ATOM 1176 ND2 ASN A 82 16.658 4.060 7.150 1.00 0.00 N ATOM 0 H ASN A 82 13.400 5.215 4.026 1.00 0.00 H new ATOM 0 HA ASN A 82 15.241 6.462 3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.888 6.142 5.804 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.264 6.731 6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 82 16.553 3.271 7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.588 4.355 6.853 1.00 0.00 H new ATOM 1183 N LEU A 83 16.371 4.380 2.396 1.00 0.00 N ATOM 1184 CA LEU A 83 17.394 3.687 1.621 1.00 0.00 C ATOM 1185 C LEU A 83 17.509 4.276 0.219 1.00 0.00 C ATOM 1186 O LEU A 83 16.683 5.093 -0.192 1.00 0.00 O ATOM 1187 CB LEU A 83 17.073 2.194 1.534 1.00 0.00 C ATOM 1188 CG LEU A 83 15.592 1.833 1.408 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.058 2.242 0.044 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.385 0.343 1.639 1.00 0.00 C ATOM 0 H LEU A 83 15.477 4.485 1.916 1.00 0.00 H new ATOM 0 HA LEU A 83 18.349 3.818 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.602 1.778 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.472 1.704 2.423 1.00 0.00 H new ATOM 0 HG LEU A 83 15.038 2.379 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.003 1.978 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.172 3.319 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.616 1.723 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.326 0.104 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 83 15.951 -0.222 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.730 0.078 2.639 1.00 0.00 H new ATOM 1202 N LEU A 84 18.535 3.856 -0.512 1.00 0.00 N ATOM 1203 CA LEU A 84 18.757 4.340 -1.870 1.00 0.00 C ATOM 1204 C LEU A 84 18.212 3.352 -2.896 1.00 0.00 C ATOM 1205 O LEU A 84 17.787 2.250 -2.548 1.00 0.00 O ATOM 1206 CB LEU A 84 20.249 4.574 -2.112 1.00 0.00 C ATOM 1207 CG LEU A 84 20.980 5.400 -1.053 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.437 4.977 -0.957 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.873 6.885 -1.369 1.00 0.00 C ATOM 0 H LEU A 84 19.227 3.181 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 84 18.225 5.284 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.740 3.604 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.367 5.070 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 84 20.507 5.219 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.941 5.576 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.493 3.923 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.924 5.128 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.399 7.458 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.320 7.083 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.823 7.179 -1.385 1.00 0.00 H new ATOM 1221 N HIS A 85 18.230 3.753 -4.163 1.00 0.00 N ATOM 1222 CA HIS A 85 17.740 2.901 -5.242 1.00 0.00 C ATOM 1223 C HIS A 85 18.508 1.583 -5.284 1.00 0.00 C ATOM 1224 O HIS A 85 17.934 0.530 -5.559 1.00 0.00 O ATOM 1225 CB HIS A 85 17.864 3.621 -6.585 1.00 0.00 C ATOM 1226 CG HIS A 85 17.528 2.756 -7.761 1.00 0.00 C ATOM 1227 ND1 HIS A 85 16.246 2.331 -8.041 1.00 0.00 N ATOM 1228 CD2 HIS A 85 18.315 2.238 -8.733 1.00 0.00 C ATOM 1229 CE1 HIS A 85 16.260 1.587 -9.132 1.00 0.00 C ATOM 1230 NE2 HIS A 85 17.503 1.516 -9.572 1.00 0.00 N ATOM 0 H HIS A 85 18.578 4.662 -4.468 1.00 0.00 H new ATOM 0 HA HIS A 85 16.689 2.683 -5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.206 4.490 -6.584 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.883 3.992 -6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 85 19.383 2.368 -8.830 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.401 1.117 -9.587 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.810 1.007 -10.401 1.00 0.00 H new ATOM 1238 N GLN A 86 19.807 1.652 -5.012 1.00 0.00 N ATOM 1239 CA GLN A 86 20.652 0.464 -5.021 1.00 0.00 C ATOM 1240 C GLN A 86 20.362 -0.420 -3.813 1.00 0.00 C ATOM 1241 O GLN A 86 20.412 -1.647 -3.903 1.00 0.00 O ATOM 1242 CB GLN A 86 22.129 0.863 -5.032 1.00 0.00 C ATOM 1243 CG GLN A 86 23.080 -0.323 -5.046 1.00 0.00 C ATOM 1244 CD GLN A 86 22.968 -1.146 -6.314 1.00 0.00 C ATOM 1245 OE1 GLN A 86 23.756 -0.982 -7.246 1.00 0.00 O ATOM 1246 NE2 GLN A 86 21.986 -2.039 -6.356 1.00 0.00 N ATOM 0 H GLN A 86 20.297 2.517 -4.783 1.00 0.00 H new ATOM 0 HA GLN A 86 20.429 -0.103 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.323 1.483 -5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.338 1.475 -4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 86 24.104 0.036 -4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.874 -0.959 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.356 -2.142 -5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 86 21.862 -2.622 -7.184 1.00 0.00 H new ATOM 1255 N ASP A 87 20.059 0.210 -2.683 1.00 0.00 N ATOM 1256 CA ASP A 87 19.760 -0.519 -1.457 1.00 0.00 C ATOM 1257 C ASP A 87 18.626 -1.515 -1.680 1.00 0.00 C ATOM 1258 O ASP A 87 18.760 -2.701 -1.379 1.00 0.00 O ATOM 1259 CB ASP A 87 19.388 0.454 -0.337 1.00 0.00 C ATOM 1260 CG ASP A 87 20.597 0.922 0.449 1.00 0.00 C ATOM 1261 OD1 ASP A 87 21.686 1.039 -0.152 1.00 0.00 O ATOM 1262 OD2 ASP A 87 20.454 1.173 1.663 1.00 0.00 O ATOM 0 H ASP A 87 20.014 1.225 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 87 20.653 -1.072 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.880 1.318 -0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 87 18.683 -0.028 0.340 1.00 0.00 H new ATOM 1267 N ALA A 88 17.509 -1.024 -2.207 1.00 0.00 N ATOM 1268 CA ALA A 88 16.353 -1.871 -2.471 1.00 0.00 C ATOM 1269 C ALA A 88 16.696 -2.975 -3.465 1.00 0.00 C ATOM 1270 O ALA A 88 16.478 -4.156 -3.196 1.00 0.00 O ATOM 1271 CB ALA A 88 15.193 -1.033 -2.989 1.00 0.00 C ATOM 0 H ALA A 88 17.381 -0.044 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 88 16.057 -2.342 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.336 -1.678 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.923 -0.285 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.488 -0.535 -3.913 1.00 0.00 H new ATOM 1277 N VAL A 89 17.233 -2.583 -4.616 1.00 0.00 N ATOM 1278 CA VAL A 89 17.607 -3.540 -5.651 1.00 0.00 C ATOM 1279 C VAL A 89 18.443 -4.675 -5.073 1.00 0.00 C ATOM 1280 O VAL A 89 18.218 -5.846 -5.381 1.00 0.00 O ATOM 1281 CB VAL A 89 18.397 -2.860 -6.785 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.831 -3.885 -7.822 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.567 -1.759 -7.426 1.00 0.00 C ATOM 0 H VAL A 89 17.419 -1.609 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 89 16.680 -3.946 -6.057 1.00 0.00 H new ATOM 0 HB VAL A 89 19.293 -2.407 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.388 -3.386 -8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.466 -4.635 -7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.951 -4.369 -8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.141 -1.289 -8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.653 -2.186 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.312 -1.011 -6.675 1.00 0.00 H new ATOM 1293 N ASP A 90 19.410 -4.322 -4.232 1.00 0.00 N ATOM 1294 CA ASP A 90 20.280 -5.312 -3.609 1.00 0.00 C ATOM 1295 C ASP A 90 19.476 -6.268 -2.733 1.00 0.00 C ATOM 1296 O ASP A 90 19.616 -7.487 -2.835 1.00 0.00 O ATOM 1297 CB ASP A 90 21.359 -4.620 -2.774 1.00 0.00 C ATOM 1298 CG ASP A 90 22.649 -5.415 -2.721 1.00 0.00 C ATOM 1299 OD1 ASP A 90 22.898 -6.205 -3.656 1.00 0.00 O ATOM 1300 OD2 ASP A 90 23.410 -5.246 -1.746 1.00 0.00 O ATOM 0 H ASP A 90 19.610 -3.358 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 90 20.758 -5.889 -4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.561 -3.634 -3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 90 20.988 -4.467 -1.761 1.00 0.00 H new ATOM 1305 N LEU A 91 18.636 -5.706 -1.870 1.00 0.00 N ATOM 1306 CA LEU A 91 17.810 -6.508 -0.975 1.00 0.00 C ATOM 1307 C LEU A 91 17.045 -7.577 -1.750 1.00 0.00 C ATOM 1308 O LEU A 91 16.887 -8.705 -1.282 1.00 0.00 O ATOM 1309 CB LEU A 91 16.829 -5.613 -0.215 1.00 0.00 C ATOM 1310 CG LEU A 91 16.174 -6.232 1.020 1.00 0.00 C ATOM 1311 CD1 LEU A 91 17.079 -6.085 2.234 1.00 0.00 C ATOM 1312 CD2 LEU A 91 14.819 -5.592 1.282 1.00 0.00 C ATOM 0 H LEU A 91 18.509 -4.699 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 91 18.468 -7.004 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.356 -4.710 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.042 -5.305 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 91 16.021 -7.295 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.597 -6.531 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 91 18.026 -6.591 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.264 -5.028 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.367 -6.045 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.948 -4.523 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.170 -5.749 0.421 1.00 0.00 H new ATOM 1324 N PHE A 92 16.573 -7.214 -2.938 1.00 0.00 N ATOM 1325 CA PHE A 92 15.826 -8.142 -3.779 1.00 0.00 C ATOM 1326 C PHE A 92 16.673 -9.362 -4.129 1.00 0.00 C ATOM 1327 O PHE A 92 16.144 -10.436 -4.416 1.00 0.00 O ATOM 1328 CB PHE A 92 15.363 -7.443 -5.060 1.00 0.00 C ATOM 1329 CG PHE A 92 14.164 -6.561 -4.862 1.00 0.00 C ATOM 1330 CD1 PHE A 92 14.035 -5.792 -3.716 1.00 0.00 C ATOM 1331 CD2 PHE A 92 13.166 -6.501 -5.821 1.00 0.00 C ATOM 1332 CE1 PHE A 92 12.932 -4.979 -3.531 1.00 0.00 C ATOM 1333 CE2 PHE A 92 12.062 -5.689 -5.641 1.00 0.00 C ATOM 1334 CZ PHE A 92 11.944 -4.928 -4.495 1.00 0.00 C ATOM 0 H PHE A 92 16.694 -6.284 -3.340 1.00 0.00 H new ATOM 0 HA PHE A 92 14.952 -8.477 -3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 92 16.184 -6.844 -5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.129 -8.197 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.805 -5.828 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 92 13.252 -7.095 -6.719 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.843 -4.384 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.292 -5.650 -6.397 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.081 -4.294 -4.353 1.00 0.00 H new ATOM 1344 N ARG A 93 17.990 -9.187 -4.104 1.00 0.00 N ATOM 1345 CA ARG A 93 18.911 -10.272 -4.421 1.00 0.00 C ATOM 1346 C ARG A 93 19.187 -11.127 -3.188 1.00 0.00 C ATOM 1347 O ARG A 93 19.426 -12.329 -3.295 1.00 0.00 O ATOM 1348 CB ARG A 93 20.224 -9.712 -4.971 1.00 0.00 C ATOM 1349 CG ARG A 93 20.074 -9.017 -6.315 1.00 0.00 C ATOM 1350 CD ARG A 93 21.428 -8.696 -6.929 1.00 0.00 C ATOM 1351 NE ARG A 93 22.160 -9.903 -7.303 1.00 0.00 N ATOM 1352 CZ ARG A 93 23.475 -9.938 -7.482 1.00 0.00 C ATOM 1353 NH1 ARG A 93 24.200 -8.839 -7.322 1.00 0.00 N ATOM 1354 NH2 ARG A 93 24.070 -11.075 -7.822 1.00 0.00 N ATOM 0 H ARG A 93 18.443 -8.304 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 93 18.446 -10.900 -5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.638 -9.006 -4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.943 -10.525 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 93 19.507 -9.654 -6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 93 19.503 -8.097 -6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 93 21.287 -8.070 -7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 93 22.020 -8.118 -6.219 1.00 0.00 H new ATOM 0 HE ARG A 93 21.632 -10.766 -7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 93 23.747 -7.963 -7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 93 25.210 -8.870 -7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.517 -11.923 -7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 93 25.080 -11.101 -7.959 1.00 0.00 H new ATOM 1368 N ASN A 94 19.153 -10.498 -2.018 1.00 0.00 N ATOM 1369 CA ASN A 94 19.401 -11.201 -0.764 1.00 0.00 C ATOM 1370 C ASN A 94 18.255 -12.155 -0.440 1.00 0.00 C ATOM 1371 O ASN A 94 18.448 -13.166 0.234 1.00 0.00 O ATOM 1372 CB ASN A 94 19.585 -10.200 0.378 1.00 0.00 C ATOM 1373 CG ASN A 94 20.041 -10.866 1.662 1.00 0.00 C ATOM 1374 OD1 ASN A 94 21.026 -11.605 1.676 1.00 0.00 O ATOM 1375 ND2 ASN A 94 19.324 -10.607 2.750 1.00 0.00 N ATOM 0 H ASN A 94 18.956 -9.503 -1.912 1.00 0.00 H new ATOM 0 HA ASN A 94 20.315 -11.784 -0.877 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.316 -9.447 0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.644 -9.679 0.556 1.00 0.00 H new ATOM 0 HD21 ASN A 94 19.582 -11.027 3.643 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.515 -9.988 2.692 1.00 0.00 H new ATOM 1382 N ALA A 95 17.063 -11.826 -0.925 1.00 0.00 N ATOM 1383 CA ALA A 95 15.887 -12.654 -0.689 1.00 0.00 C ATOM 1384 C ALA A 95 16.163 -14.112 -1.040 1.00 0.00 C ATOM 1385 O ALA A 95 16.151 -14.982 -0.171 1.00 0.00 O ATOM 1386 CB ALA A 95 14.704 -12.131 -1.491 1.00 0.00 C ATOM 0 H ALA A 95 16.886 -10.991 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 95 15.644 -12.603 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.832 -12.759 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.484 -11.107 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.947 -12.152 -2.553 1.00 0.00 H new ATOM 1392 N GLY A 96 16.412 -14.372 -2.320 1.00 0.00 N ATOM 1393 CA GLY A 96 16.687 -15.726 -2.762 1.00 0.00 C ATOM 1394 C GLY A 96 15.583 -16.285 -3.639 1.00 0.00 C ATOM 1395 O GLY A 96 14.772 -15.535 -4.182 1.00 0.00 O ATOM 0 H GLY A 96 16.428 -13.669 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.627 -15.741 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.817 -16.370 -1.892 1.00 0.00 H new ATOM 1399 N TYR A 97 15.553 -17.606 -3.779 1.00 0.00 N ATOM 1400 CA TYR A 97 14.543 -18.264 -4.599 1.00 0.00 C ATOM 1401 C TYR A 97 13.152 -17.719 -4.292 1.00 0.00 C ATOM 1402 O TYR A 97 12.447 -17.247 -5.184 1.00 0.00 O ATOM 1403 CB TYR A 97 14.573 -19.776 -4.366 1.00 0.00 C ATOM 1404 CG TYR A 97 13.643 -20.547 -5.274 1.00 0.00 C ATOM 1405 CD1 TYR A 97 13.959 -20.754 -6.611 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.447 -21.068 -4.796 1.00 0.00 C ATOM 1407 CE1 TYR A 97 13.112 -21.457 -7.445 1.00 0.00 C ATOM 1408 CE2 TYR A 97 11.594 -21.774 -5.623 1.00 0.00 C ATOM 1409 CZ TYR A 97 11.931 -21.966 -6.946 1.00 0.00 C ATOM 1410 OH TYR A 97 11.084 -22.667 -7.773 1.00 0.00 O ATOM 0 H TYR A 97 16.216 -18.242 -3.335 1.00 0.00 H new ATOM 0 HA TYR A 97 14.771 -18.059 -5.645 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.591 -20.137 -4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.307 -19.981 -3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.883 -20.358 -7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.179 -20.919 -3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.373 -21.607 -8.482 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.668 -22.173 -5.235 1.00 0.00 H new ATOM 0 HH TYR A 97 10.298 -22.957 -7.266 1.00 0.00 H new ATOM 1420 N ALA A 98 12.763 -17.787 -3.023 1.00 0.00 N ATOM 1421 CA ALA A 98 11.458 -17.298 -2.597 1.00 0.00 C ATOM 1422 C ALA A 98 11.526 -15.829 -2.195 1.00 0.00 C ATOM 1423 O ALA A 98 12.138 -15.478 -1.186 1.00 0.00 O ATOM 1424 CB ALA A 98 10.931 -18.139 -1.443 1.00 0.00 C ATOM 0 H ALA A 98 13.333 -18.176 -2.272 1.00 0.00 H new ATOM 0 HA ALA A 98 10.772 -17.385 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.956 -17.763 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.835 -19.177 -1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.624 -18.081 -0.604 1.00 0.00 H new ATOM 1430 N VAL A 99 10.895 -14.972 -2.992 1.00 0.00 N ATOM 1431 CA VAL A 99 10.884 -13.540 -2.719 1.00 0.00 C ATOM 1432 C VAL A 99 9.503 -13.078 -2.265 1.00 0.00 C ATOM 1433 O VAL A 99 8.563 -13.028 -3.058 1.00 0.00 O ATOM 1434 CB VAL A 99 11.303 -12.729 -3.959 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.619 -11.291 -3.576 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.494 -13.381 -4.644 1.00 0.00 C ATOM 0 H VAL A 99 10.385 -15.245 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 99 11.604 -13.364 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 99 10.470 -12.717 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.913 -10.734 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.736 -10.830 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.435 -11.278 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.777 -12.795 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.333 -13.426 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.227 -14.391 -4.955 1.00 0.00 H new ATOM 1446 N SER A 100 9.390 -12.739 -0.985 1.00 0.00 N ATOM 1447 CA SER A 100 8.123 -12.283 -0.425 1.00 0.00 C ATOM 1448 C SER A 100 8.077 -10.759 -0.355 1.00 0.00 C ATOM 1449 O SER A 100 8.548 -10.156 0.611 1.00 0.00 O ATOM 1450 CB SER A 100 7.916 -12.875 0.971 1.00 0.00 C ATOM 1451 OG SER A 100 7.971 -14.291 0.937 1.00 0.00 O ATOM 0 H SER A 100 10.160 -12.771 -0.316 1.00 0.00 H new ATOM 0 HA SER A 100 7.321 -12.624 -1.080 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.681 -12.494 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.952 -12.555 1.366 1.00 0.00 H new ATOM 0 HG SER A 100 7.837 -14.645 1.841 1.00 0.00 H new ATOM 1457 N LEU A 101 7.507 -10.143 -1.384 1.00 0.00 N ATOM 1458 CA LEU A 101 7.398 -8.690 -1.441 1.00 0.00 C ATOM 1459 C LEU A 101 6.082 -8.217 -0.830 1.00 0.00 C ATOM 1460 O LEU A 101 5.008 -8.468 -1.377 1.00 0.00 O ATOM 1461 CB LEU A 101 7.504 -8.207 -2.889 1.00 0.00 C ATOM 1462 CG LEU A 101 8.616 -8.838 -3.727 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.276 -8.764 -5.207 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.947 -8.155 -3.449 1.00 0.00 C ATOM 0 H LEU A 101 7.113 -10.627 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 101 8.219 -8.266 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.552 -8.395 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.651 -7.127 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 101 8.704 -9.888 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.079 -9.218 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.345 -9.300 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.160 -7.721 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.727 -8.617 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.872 -7.097 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.197 -8.261 -2.393 1.00 0.00 H new ATOM 1476 N ARG A 102 6.175 -7.532 0.304 1.00 0.00 N ATOM 1477 CA ARG A 102 4.992 -7.024 0.989 1.00 0.00 C ATOM 1478 C ARG A 102 4.592 -5.657 0.440 1.00 0.00 C ATOM 1479 O ARG A 102 5.305 -4.670 0.622 1.00 0.00 O ATOM 1480 CB ARG A 102 5.250 -6.925 2.493 1.00 0.00 C ATOM 1481 CG ARG A 102 3.998 -6.646 3.309 1.00 0.00 C ATOM 1482 CD ARG A 102 4.325 -6.451 4.781 1.00 0.00 C ATOM 1483 NE ARG A 102 5.258 -5.348 4.993 1.00 0.00 N ATOM 1484 CZ ARG A 102 5.472 -4.784 6.176 1.00 0.00 C ATOM 1485 NH1 ARG A 102 4.823 -5.216 7.248 1.00 0.00 N ATOM 1486 NH2 ARG A 102 6.338 -3.784 6.289 1.00 0.00 N ATOM 0 H ARG A 102 7.057 -7.316 0.768 1.00 0.00 H new ATOM 0 HA ARG A 102 4.173 -7.722 0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.698 -7.857 2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.977 -6.134 2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.502 -5.755 2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.297 -7.474 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.406 -6.259 5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.753 -7.370 5.182 1.00 0.00 H new ATOM 0 HE ARG A 102 5.774 -4.991 4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.157 -5.984 7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.990 -4.780 8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 102 6.840 -3.448 5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.502 -3.351 7.198 1.00 0.00 H new ATOM 1500 N VAL A 103 3.446 -5.608 -0.233 1.00 0.00 N ATOM 1501 CA VAL A 103 2.951 -4.363 -0.807 1.00 0.00 C ATOM 1502 C VAL A 103 1.658 -3.922 -0.131 1.00 0.00 C ATOM 1503 O VAL A 103 1.076 -4.664 0.660 1.00 0.00 O ATOM 1504 CB VAL A 103 2.703 -4.503 -2.321 1.00 0.00 C ATOM 1505 CG1 VAL A 103 4.000 -4.827 -3.047 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.650 -5.567 -2.592 1.00 0.00 C ATOM 0 H VAL A 103 2.844 -6.416 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 103 3.721 -3.609 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 103 2.331 -3.551 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.805 -4.922 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.720 -4.026 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.405 -5.765 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.487 -5.653 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.991 -6.525 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.716 -5.287 -2.105 1.00 0.00 H new ATOM 1516 N GLN A 104 1.214 -2.709 -0.447 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.010 -2.169 0.131 1.00 0.00 C ATOM 1518 C GLN A 104 -0.932 -1.626 -0.956 1.00 0.00 C ATOM 1519 O GLN A 104 -0.533 -0.778 -1.755 1.00 0.00 O ATOM 1520 CB GLN A 104 0.319 -1.065 1.137 1.00 0.00 C ATOM 1521 CG GLN A 104 -0.903 -0.503 1.846 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.600 0.771 2.609 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -0.774 1.875 2.092 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -0.144 0.625 3.848 1.00 0.00 N ATOM 0 H GLN A 104 1.684 -2.082 -1.100 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.526 -2.978 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.012 -1.458 1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.833 -0.255 0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.685 -0.306 1.113 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.294 -1.251 2.536 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -0.015 -0.309 4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.077 1.447 4.410 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.166 -2.119 -0.980 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.145 -1.682 -1.969 1.00 0.00 C ATOM 1535 C HIS A 105 -3.926 -0.473 -1.463 1.00 0.00 C ATOM 1536 O HIS A 105 -4.671 -0.567 -0.488 1.00 0.00 O ATOM 1537 CB HIS A 105 -4.107 -2.822 -2.304 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.425 -4.046 -2.833 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.496 -4.009 -3.852 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.539 -5.347 -2.477 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -2.071 -5.234 -4.101 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.687 -6.065 -3.280 1.00 0.00 N ATOM 0 H HIS A 105 -2.512 -2.821 -0.326 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.608 -1.393 -2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.668 -3.088 -1.408 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.830 -2.472 -3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.180 -5.746 -1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.343 -5.510 -4.849 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -2.552 -7.076 -3.248 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.749 0.662 -2.132 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.436 1.889 -1.749 1.00 0.00 C ATOM 1552 C ARG A 106 -5.736 2.052 -2.532 1.00 0.00 C ATOM 1553 O ARG A 106 -5.730 2.501 -3.679 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.531 3.100 -1.985 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.225 3.044 -1.209 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.348 4.250 -1.508 1.00 0.00 C ATOM 1557 NE ARG A 106 -0.236 4.364 -0.568 1.00 0.00 N ATOM 1558 CZ ARG A 106 0.737 5.261 -0.686 1.00 0.00 C ATOM 1559 NH1 ARG A 106 0.735 6.117 -1.698 1.00 0.00 N ATOM 1560 NH2 ARG A 106 1.715 5.302 0.210 1.00 0.00 N ATOM 0 H ARG A 106 -3.136 0.757 -2.942 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.677 1.825 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.309 3.175 -3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.070 4.006 -1.708 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.437 3.002 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.688 2.130 -1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.958 4.172 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.952 5.157 -1.467 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.205 3.720 0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.015 6.088 -2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.483 6.805 -1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.720 4.645 0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.462 5.991 0.119 1.00 0.00 H new