USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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 NoAdj-H: A 38 GLY H : A 38 GLY N : A 78 ILE O :(H bumps) USER MOD Set 1.1: A 50 THR OG1 : rot 88:sc= -1.34! USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 87 TYR OH : rot 7:sc= 0.00115 USER MOD Set 2.1: A 46 ASN : amide:sc= -3.94! C(o=-3.9!,f=-5.1!) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 17 ASN : amide:sc= -2.79! K(o=-3.3!,f=-4.2) USER MOD Set 3.2: A 18 ASN : amide:sc= -0.482 X(o=-3.3,f=-3.2) USER MOD Single : A 16 HIS : no HD1:sc= -12.4! C(o=-12!,f=-24!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc=-0.00152 X(o=-0.0015,f=0) USER MOD Single : A 31 THR OG1 : rot 140:sc= -1.45 USER MOD Single : A 32 MET CE :methyl -146:sc= -2.45 (180deg=-2.95) USER MOD Single : A 40 ASN :FLIP amide:sc= -3.89! C(o=-4.7!,f=-3.9!) USER MOD Single : A 44 SER OG : rot -25:sc= -3.03! USER MOD Single : A 47 ASN : amide:sc=-0.000148 X(o=-0.00015,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0252 X(o=-0.025,f=0) USER MOD Single : A 54 GLN : amide:sc= -1.1 K(o=-1.1,f=-8.7!) USER MOD Single : A 56 ASN : amide:sc= -1.19 K(o=-1.2,f=-5.2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.045) USER MOD Single : A 72 SER OG : rot 140:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.994! C(o=-3.8!,f=-0.99!) USER MOD Single : A 77 HIS : no HD1:sc= -7.33! C(o=-7.3!,f=-11!) USER MOD Single : A 79 HIS : no HE2:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : A 83 SER OG : rot 180:sc= -4.48! USER MOD ----------------------------------------------------------------- ATOM 186 N LEU A 13 -4.553 -1.445 7.316 1.00 0.00 N ATOM 187 CA LEU A 13 -3.835 -1.592 6.066 1.00 0.00 C ATOM 188 C LEU A 13 -2.372 -1.904 6.344 1.00 0.00 C ATOM 189 O LEU A 13 -1.743 -1.254 7.176 1.00 0.00 O ATOM 190 CB LEU A 13 -3.968 -0.309 5.250 1.00 0.00 C ATOM 191 CG LEU A 13 -2.887 -0.276 4.174 1.00 0.00 C ATOM 192 CD1 LEU A 13 -3.434 -0.878 2.883 1.00 0.00 C ATOM 193 CD2 LEU A 13 -2.463 1.168 3.923 1.00 0.00 C ATOM 0 HA LEU A 13 -4.259 -2.417 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.955 -0.258 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.875 0.560 5.901 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.026 -0.855 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.661 -0.854 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.736 -1.910 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.296 -0.300 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.691 1.192 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.324 1.747 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.071 1.598 4.845 1.00 0.00 H new ATOM 205 N GLU A 14 -1.829 -2.903 5.643 1.00 0.00 N ATOM 206 CA GLU A 14 -0.444 -3.292 5.819 1.00 0.00 C ATOM 207 C GLU A 14 0.160 -3.684 4.478 1.00 0.00 C ATOM 208 O GLU A 14 -0.518 -4.270 3.636 1.00 0.00 O ATOM 209 CB GLU A 14 -0.365 -4.452 6.807 1.00 0.00 C ATOM 210 CG GLU A 14 -1.291 -4.178 7.989 1.00 0.00 C ATOM 211 CD GLU A 14 -2.678 -4.750 7.736 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.100 -4.716 6.560 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.291 -5.210 8.724 1.00 0.00 O ATOM 0 H GLU A 14 -2.336 -3.453 4.949 1.00 0.00 H new ATOM 0 HA GLU A 14 0.125 -2.452 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.651 -5.382 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.660 -4.577 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.872 -4.617 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.362 -3.104 8.159 1.00 0.00 H new ATOM 220 N ILE A 15 1.439 -3.359 4.281 1.00 0.00 N ATOM 221 CA ILE A 15 2.130 -3.678 3.047 1.00 0.00 C ATOM 222 C ILE A 15 3.500 -4.263 3.361 1.00 0.00 C ATOM 223 O ILE A 15 4.310 -3.626 4.030 1.00 0.00 O ATOM 224 CB ILE A 15 2.261 -2.418 2.197 1.00 0.00 C ATOM 225 CG1 ILE A 15 0.888 -1.775 2.025 1.00 0.00 C ATOM 226 CG2 ILE A 15 2.827 -2.785 0.828 1.00 0.00 C ATOM 227 CD1 ILE A 15 1.058 -0.302 1.666 1.00 0.00 C ATOM 0 H ILE A 15 2.013 -2.872 4.969 1.00 0.00 H new ATOM 0 HA ILE A 15 1.560 -4.419 2.487 1.00 0.00 H new ATOM 0 HB ILE A 15 2.932 -1.715 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.329 -2.289 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.311 -1.872 2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.921 -1.885 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.808 -3.244 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.157 -3.488 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.078 0.158 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.600 0.207 2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.618 -0.217 0.735 1.00 0.00 H new ATOM 239 N HIS A 16 3.757 -5.480 2.876 1.00 0.00 N ATOM 240 CA HIS A 16 5.025 -6.145 3.107 1.00 0.00 C ATOM 241 C HIS A 16 5.711 -6.422 1.777 1.00 0.00 C ATOM 242 O HIS A 16 5.324 -7.339 1.056 1.00 0.00 O ATOM 243 CB HIS A 16 4.785 -7.443 3.873 1.00 0.00 C ATOM 244 CG HIS A 16 3.949 -8.426 3.101 1.00 0.00 C ATOM 245 ND1 HIS A 16 4.423 -9.530 2.418 1.00 0.00 N ATOM 246 CD2 HIS A 16 2.591 -8.382 2.954 1.00 0.00 C ATOM 247 CE1 HIS A 16 3.364 -10.148 1.864 1.00 0.00 C ATOM 248 NE2 HIS A 16 2.243 -9.468 2.176 1.00 0.00 N ATOM 0 H HIS A 16 3.095 -6.021 2.319 1.00 0.00 H new ATOM 0 HA HIS A 16 5.675 -5.503 3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.745 -7.900 4.115 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.292 -7.216 4.818 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.921 -7.642 3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.406 -11.046 1.265 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.297 -9.714 1.886 1.00 0.00 H new ATOM 257 N ASN A 17 6.734 -5.627 1.453 1.00 0.00 N ATOM 258 CA ASN A 17 7.466 -5.794 0.214 1.00 0.00 C ATOM 259 C ASN A 17 8.768 -6.538 0.476 1.00 0.00 C ATOM 260 O ASN A 17 8.988 -7.039 1.577 1.00 0.00 O ATOM 261 CB ASN A 17 7.741 -4.424 -0.401 1.00 0.00 C ATOM 262 CG ASN A 17 8.457 -3.518 0.591 1.00 0.00 C ATOM 263 OD1 ASN A 17 9.681 -3.550 0.692 1.00 0.00 O ATOM 264 ND2 ASN A 17 7.689 -2.707 1.322 1.00 0.00 N ATOM 0 H ASN A 17 7.068 -4.862 2.039 1.00 0.00 H new ATOM 0 HA ASN A 17 6.872 -6.381 -0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.348 -4.539 -1.299 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.802 -3.964 -0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.115 -2.077 2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.676 -2.718 1.201 1.00 0.00 H new ATOM 271 N ASN A 18 9.632 -6.609 -0.539 1.00 0.00 N ATOM 272 CA ASN A 18 10.905 -7.289 -0.411 1.00 0.00 C ATOM 273 C ASN A 18 10.681 -8.735 0.008 1.00 0.00 C ATOM 274 O ASN A 18 11.449 -9.282 0.795 1.00 0.00 O ATOM 275 CB ASN A 18 11.770 -6.558 0.611 1.00 0.00 C ATOM 276 CG ASN A 18 12.361 -5.289 0.015 1.00 0.00 C ATOM 277 OD1 ASN A 18 12.821 -5.293 -1.125 1.00 0.00 O ATOM 278 ND2 ASN A 18 12.345 -4.200 0.787 1.00 0.00 N ATOM 0 H ASN A 18 9.464 -6.200 -1.458 1.00 0.00 H new ATOM 0 HA ASN A 18 11.419 -7.287 -1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.172 -6.308 1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.573 -7.214 0.949 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.726 -3.321 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.952 -4.247 1.727 1.00 0.00 H new ATOM 285 N GLU A 19 9.623 -9.355 -0.522 1.00 0.00 N ATOM 286 CA GLU A 19 9.307 -10.732 -0.200 1.00 0.00 C ATOM 287 C GLU A 19 8.914 -10.846 1.266 1.00 0.00 C ATOM 288 O GLU A 19 8.922 -11.938 1.830 1.00 0.00 O ATOM 289 CB GLU A 19 10.514 -11.614 -0.507 1.00 0.00 C ATOM 290 CG GLU A 19 10.742 -11.658 -2.015 1.00 0.00 C ATOM 291 CD GLU A 19 11.944 -12.526 -2.358 1.00 0.00 C ATOM 292 OE1 GLU A 19 11.918 -13.713 -1.965 1.00 0.00 O ATOM 293 OE2 GLU A 19 12.867 -11.987 -3.005 1.00 0.00 O ATOM 0 H GLU A 19 8.975 -8.916 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 19 8.465 -11.066 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.400 -11.224 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.349 -12.621 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.853 -12.049 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.899 -10.648 -2.393 1.00 0.00 H new ATOM 300 N GLY A 20 8.568 -9.714 1.883 1.00 0.00 N ATOM 301 CA GLY A 20 8.175 -9.698 3.278 1.00 0.00 C ATOM 302 C GLY A 20 9.367 -9.351 4.158 1.00 0.00 C ATOM 303 O GLY A 20 9.567 -9.962 5.206 1.00 0.00 O ATOM 0 H GLY A 20 8.555 -8.800 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.378 -8.970 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.776 -10.672 3.562 1.00 0.00 H new ATOM 307 N ARG A 21 10.160 -8.366 3.730 1.00 0.00 N ATOM 308 CA ARG A 21 11.327 -7.944 4.478 1.00 0.00 C ATOM 309 C ARG A 21 10.976 -6.746 5.348 1.00 0.00 C ATOM 310 O ARG A 21 11.363 -6.688 6.513 1.00 0.00 O ATOM 311 CB ARG A 21 12.453 -7.596 3.508 1.00 0.00 C ATOM 312 CG ARG A 21 13.794 -7.700 4.227 1.00 0.00 C ATOM 313 CD ARG A 21 13.861 -6.651 5.334 1.00 0.00 C ATOM 314 NE ARG A 21 15.232 -6.175 5.524 1.00 0.00 N ATOM 315 CZ ARG A 21 15.644 -5.582 6.652 1.00 0.00 C ATOM 316 NH1 ARG A 21 14.788 -5.405 7.668 1.00 0.00 N ATOM 317 NH2 ARG A 21 16.913 -5.166 6.766 1.00 0.00 N ATOM 0 H ARG A 21 10.007 -7.849 2.864 1.00 0.00 H new ATOM 0 HA ARG A 21 11.661 -8.754 5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 21 12.433 -8.272 2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.314 -6.587 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.916 -8.698 4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.610 -7.551 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.212 -5.812 5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.488 -7.076 6.266 1.00 0.00 H new ATOM 0 HE ARG A 21 15.902 -6.300 4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.822 -5.722 7.582 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.102 -4.953 8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 21 17.565 -5.301 5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.226 -4.714 7.625 1.00 0.00 H new ATOM 331 N ASP A 22 10.240 -5.787 4.780 1.00 0.00 N ATOM 332 CA ASP A 22 9.843 -4.598 5.505 1.00 0.00 C ATOM 333 C ASP A 22 8.341 -4.391 5.371 1.00 0.00 C ATOM 334 O ASP A 22 7.837 -4.181 4.271 1.00 0.00 O ATOM 335 CB ASP A 22 10.605 -3.393 4.960 1.00 0.00 C ATOM 336 CG ASP A 22 12.071 -3.449 5.364 1.00 0.00 C ATOM 337 OD1 ASP A 22 12.340 -3.204 6.560 1.00 0.00 O ATOM 338 OD2 ASP A 22 12.896 -3.736 4.469 1.00 0.00 O ATOM 0 H ASP A 22 9.910 -5.820 3.815 1.00 0.00 H new ATOM 0 HA ASP A 22 10.082 -4.715 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.524 -3.368 3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.155 -2.474 5.335 1.00 0.00 H new ATOM 343 N THR A 23 7.625 -4.452 6.497 1.00 0.00 N ATOM 344 CA THR A 23 6.187 -4.271 6.495 1.00 0.00 C ATOM 345 C THR A 23 5.840 -2.872 6.983 1.00 0.00 C ATOM 346 O THR A 23 6.574 -2.289 7.778 1.00 0.00 O ATOM 347 CB THR A 23 5.541 -5.330 7.384 1.00 0.00 C ATOM 348 OG1 THR A 23 6.103 -6.591 7.097 1.00 0.00 O ATOM 349 CG2 THR A 23 4.039 -5.370 7.118 1.00 0.00 C ATOM 0 H THR A 23 8.026 -4.626 7.418 1.00 0.00 H new ATOM 0 HA THR A 23 5.805 -4.384 5.480 1.00 0.00 H new ATOM 0 HB THR A 23 5.718 -5.083 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.690 -7.271 7.669 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.577 -6.126 7.753 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.604 -4.395 7.340 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.861 -5.617 6.071 1.00 0.00 H new ATOM 357 N LEU A 24 4.716 -2.334 6.504 1.00 0.00 N ATOM 358 CA LEU A 24 4.276 -1.009 6.892 1.00 0.00 C ATOM 359 C LEU A 24 2.777 -1.018 7.154 1.00 0.00 C ATOM 360 O LEU A 24 1.985 -1.226 6.237 1.00 0.00 O ATOM 361 CB LEU A 24 4.626 -0.014 5.790 1.00 0.00 C ATOM 362 CG LEU A 24 5.986 -0.369 5.197 1.00 0.00 C ATOM 363 CD1 LEU A 24 5.830 -0.670 3.709 1.00 0.00 C ATOM 364 CD2 LEU A 24 6.943 0.805 5.381 1.00 0.00 C ATOM 0 H LEU A 24 4.097 -2.805 5.844 1.00 0.00 H new ATOM 0 HA LEU A 24 4.783 -0.709 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.862 -0.033 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.646 0.999 6.193 1.00 0.00 H new ATOM 0 HG LEU A 24 6.386 -1.247 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.802 -0.924 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.147 -1.509 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.430 0.207 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.915 0.552 4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.544 1.683 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.055 1.020 6.444 1.00 0.00 H new ATOM 376 N CYS A 25 2.388 -0.792 8.411 1.00 0.00 N ATOM 377 CA CYS A 25 0.988 -0.775 8.788 1.00 0.00 C ATOM 378 C CYS A 25 0.516 0.663 8.948 1.00 0.00 C ATOM 379 O CYS A 25 1.041 1.403 9.777 1.00 0.00 O ATOM 380 CB CYS A 25 0.803 -1.553 10.088 1.00 0.00 C ATOM 381 SG CYS A 25 1.803 -3.057 10.193 1.00 0.00 S ATOM 0 H CYS A 25 3.032 -0.618 9.182 1.00 0.00 H new ATOM 0 HA CYS A 25 0.391 -1.248 8.009 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.053 -0.903 10.927 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.249 -1.820 10.193 1.00 0.00 H new ATOM 0 HG CYS A 25 1.581 -3.647 11.330 1.00 0.00 H new ATOM 386 N PHE A 26 -0.479 1.060 8.150 1.00 0.00 N ATOM 387 CA PHE A 26 -1.014 2.405 8.209 1.00 0.00 C ATOM 388 C PHE A 26 -2.405 2.381 8.826 1.00 0.00 C ATOM 389 O PHE A 26 -3.083 1.356 8.793 1.00 0.00 O ATOM 390 CB PHE A 26 -1.055 2.996 6.803 1.00 0.00 C ATOM 391 CG PHE A 26 0.310 3.161 6.178 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.075 4.299 6.457 1.00 0.00 C ATOM 393 CD2 PHE A 26 0.810 2.174 5.321 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.341 4.450 5.879 1.00 0.00 C ATOM 395 CE2 PHE A 26 2.076 2.325 4.743 1.00 0.00 C ATOM 396 CZ PHE A 26 2.842 3.463 5.022 1.00 0.00 C ATOM 0 H PHE A 26 -0.925 0.460 7.456 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.374 3.029 8.833 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.662 2.354 6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.549 3.967 6.840 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.689 5.061 7.118 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.219 1.296 5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.931 5.328 6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.462 1.563 4.082 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.819 3.579 4.576 1.00 0.00 H new ATOM 406 N ALA A 27 -2.830 3.515 9.389 1.00 0.00 N ATOM 407 CA ALA A 27 -4.135 3.618 10.010 1.00 0.00 C ATOM 408 C ALA A 27 -4.745 4.978 9.705 1.00 0.00 C ATOM 409 O ALA A 27 -4.094 5.832 9.107 1.00 0.00 O ATOM 410 CB ALA A 27 -3.998 3.411 11.515 1.00 0.00 C ATOM 0 H ALA A 27 -2.280 4.373 9.423 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.795 2.849 9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.979 3.488 11.984 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.579 2.424 11.710 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.337 4.173 11.928 1.00 0.00 H new ATOM 416 N ASN A 28 -5.999 5.179 10.117 1.00 0.00 N ATOM 417 CA ASN A 28 -6.686 6.433 9.886 1.00 0.00 C ATOM 418 C ASN A 28 -6.930 6.624 8.395 1.00 0.00 C ATOM 419 O ASN A 28 -6.106 6.229 7.574 1.00 0.00 O ATOM 420 CB ASN A 28 -5.852 7.580 10.448 1.00 0.00 C ATOM 421 CG ASN A 28 -6.024 7.688 11.957 1.00 0.00 C ATOM 422 OD1 ASN A 28 -5.124 7.328 12.713 1.00 0.00 O ATOM 423 ND2 ASN A 28 -7.182 8.187 12.393 1.00 0.00 N ATOM 0 H ASN A 28 -6.553 4.481 10.613 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.651 6.420 10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.801 7.422 10.208 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.149 8.516 9.976 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.351 8.284 13.394 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.898 8.472 11.725 1.00 0.00 H new ATOM 430 N ALA A 29 -8.066 7.233 8.049 1.00 0.00 N ATOM 431 CA ALA A 29 -8.413 7.472 6.662 1.00 0.00 C ATOM 432 C ALA A 29 -7.399 8.417 6.033 1.00 0.00 C ATOM 433 O ALA A 29 -7.438 8.660 4.829 1.00 0.00 O ATOM 434 CB ALA A 29 -9.820 8.059 6.585 1.00 0.00 C ATOM 0 H ALA A 29 -8.758 7.568 8.719 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.395 6.532 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.082 8.239 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.531 7.358 7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.853 8.999 7.135 1.00 0.00 H new ATOM 440 N GLY A 30 -6.490 8.952 6.852 1.00 0.00 N ATOM 441 CA GLY A 30 -5.474 9.866 6.367 1.00 0.00 C ATOM 442 C GLY A 30 -4.926 9.385 5.031 1.00 0.00 C ATOM 443 O GLY A 30 -4.998 8.199 4.718 1.00 0.00 O ATOM 0 H GLY A 30 -6.444 8.763 7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.896 10.865 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.665 9.941 7.094 1.00 0.00 H new ATOM 447 N THR A 31 -4.376 10.311 4.242 1.00 0.00 N ATOM 448 CA THR A 31 -3.820 9.974 2.947 1.00 0.00 C ATOM 449 C THR A 31 -2.531 10.750 2.718 1.00 0.00 C ATOM 450 O THR A 31 -2.538 11.979 2.703 1.00 0.00 O ATOM 451 CB THR A 31 -4.842 10.288 1.858 1.00 0.00 C ATOM 452 OG1 THR A 31 -5.923 9.388 1.954 1.00 0.00 O ATOM 453 CG2 THR A 31 -4.184 10.149 0.488 1.00 0.00 C ATOM 0 H THR A 31 -4.308 11.299 4.486 1.00 0.00 H new ATOM 0 HA THR A 31 -3.588 8.909 2.914 1.00 0.00 H new ATOM 0 HB THR A 31 -5.206 11.308 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.763 9.867 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.913 10.373 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.348 10.845 0.413 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.820 9.130 0.361 1.00 0.00 H new ATOM 461 N MET A 32 -1.422 10.030 2.538 1.00 0.00 N ATOM 462 CA MET A 32 -0.134 10.655 2.313 1.00 0.00 C ATOM 463 C MET A 32 0.659 9.853 1.292 1.00 0.00 C ATOM 464 O MET A 32 0.390 8.673 1.079 1.00 0.00 O ATOM 465 CB MET A 32 0.624 10.747 3.634 1.00 0.00 C ATOM 466 CG MET A 32 1.202 9.379 3.985 1.00 0.00 C ATOM 467 SD MET A 32 1.861 9.269 5.667 1.00 0.00 S ATOM 468 CE MET A 32 2.264 7.505 5.705 1.00 0.00 C ATOM 0 H MET A 32 -1.399 9.010 2.545 1.00 0.00 H new ATOM 0 HA MET A 32 -0.279 11.662 1.921 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.424 11.483 3.556 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.044 11.086 4.426 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.425 8.625 3.860 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.996 9.139 3.278 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.102 7.116 6.710 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.625 6.971 5.002 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.308 7.364 5.426 1.00 0.00 H new ATOM 478 N PRO A 33 1.642 10.498 0.658 1.00 0.00 N ATOM 479 CA PRO A 33 2.500 9.898 -0.340 1.00 0.00 C ATOM 480 C PRO A 33 3.469 8.935 0.331 1.00 0.00 C ATOM 481 O PRO A 33 4.098 9.280 1.329 1.00 0.00 O ATOM 482 CB PRO A 33 3.245 11.072 -0.972 1.00 0.00 C ATOM 483 CG PRO A 33 3.324 12.079 0.174 1.00 0.00 C ATOM 484 CD PRO A 33 1.986 11.885 0.883 1.00 0.00 C ATOM 0 HA PRO A 33 1.948 9.326 -1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.235 10.781 -1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.708 11.477 -1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.166 11.875 0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.445 13.099 -0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.068 12.104 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.224 12.551 0.478 1.00 0.00 H new ATOM 492 N VAL A 34 3.587 7.725 -0.219 1.00 0.00 N ATOM 493 CA VAL A 34 4.475 6.719 0.329 1.00 0.00 C ATOM 494 C VAL A 34 5.272 6.070 -0.794 1.00 0.00 C ATOM 495 O VAL A 34 4.889 6.154 -1.959 1.00 0.00 O ATOM 496 CB VAL A 34 3.657 5.676 1.085 1.00 0.00 C ATOM 497 CG1 VAL A 34 2.725 6.376 2.070 1.00 0.00 C ATOM 498 CG2 VAL A 34 2.830 4.862 0.093 1.00 0.00 C ATOM 0 H VAL A 34 3.073 7.425 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 34 5.175 7.184 1.023 1.00 0.00 H new ATOM 0 HB VAL A 34 4.329 5.012 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.141 5.631 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.315 6.958 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.053 7.040 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.245 4.117 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.158 5.526 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.495 4.362 -0.611 1.00 0.00 H new ATOM 508 N ALA A 35 6.383 5.420 -0.441 1.00 0.00 N ATOM 509 CA ALA A 35 7.227 4.762 -1.417 1.00 0.00 C ATOM 510 C ALA A 35 7.491 3.326 -0.987 1.00 0.00 C ATOM 511 O ALA A 35 8.197 3.089 -0.010 1.00 0.00 O ATOM 512 CB ALA A 35 8.536 5.533 -1.559 1.00 0.00 C ATOM 0 H ALA A 35 6.713 5.340 0.521 1.00 0.00 H new ATOM 0 HA ALA A 35 6.724 4.744 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.172 5.038 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.325 6.550 -1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.048 5.562 -0.597 1.00 0.00 H new ATOM 518 N ILE A 36 6.919 2.367 -1.719 1.00 0.00 N ATOM 519 CA ILE A 36 7.094 0.962 -1.413 1.00 0.00 C ATOM 520 C ILE A 36 7.514 0.209 -2.668 1.00 0.00 C ATOM 521 O ILE A 36 6.723 0.057 -3.596 1.00 0.00 O ATOM 522 CB ILE A 36 5.792 0.397 -0.853 1.00 0.00 C ATOM 523 CG1 ILE A 36 5.607 0.872 0.585 1.00 0.00 C ATOM 524 CG2 ILE A 36 5.844 -1.128 -0.883 1.00 0.00 C ATOM 525 CD1 ILE A 36 4.194 1.420 0.763 1.00 0.00 C ATOM 0 H ILE A 36 6.329 2.549 -2.531 1.00 0.00 H new ATOM 0 HA ILE A 36 7.877 0.844 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 36 4.956 0.744 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.778 0.047 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.340 1.643 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.914 -1.532 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.975 -1.467 -1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.681 -1.476 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.062 1.759 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.040 2.257 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.469 0.636 0.544 1.00 0.00 H new ATOM 537 N TYR A 37 8.763 -0.262 -2.695 1.00 0.00 N ATOM 538 CA TYR A 37 9.278 -0.993 -3.835 1.00 0.00 C ATOM 539 C TYR A 37 9.316 -2.481 -3.520 1.00 0.00 C ATOM 540 O TYR A 37 9.653 -2.873 -2.405 1.00 0.00 O ATOM 541 CB TYR A 37 10.673 -0.477 -4.180 1.00 0.00 C ATOM 542 CG TYR A 37 10.735 1.022 -4.355 1.00 0.00 C ATOM 543 CD1 TYR A 37 10.740 1.858 -3.232 1.00 0.00 C ATOM 544 CD2 TYR A 37 10.787 1.575 -5.640 1.00 0.00 C ATOM 545 CE1 TYR A 37 10.798 3.247 -3.394 1.00 0.00 C ATOM 546 CE2 TYR A 37 10.845 2.964 -5.802 1.00 0.00 C ATOM 547 CZ TYR A 37 10.851 3.800 -4.679 1.00 0.00 C ATOM 548 OH TYR A 37 10.908 5.154 -4.837 1.00 0.00 O ATOM 0 H TYR A 37 9.431 -0.145 -1.933 1.00 0.00 H new ATOM 0 HA TYR A 37 8.625 -0.841 -4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.366 -0.772 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.012 -0.956 -5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.699 1.431 -2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.782 0.930 -6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.802 3.892 -2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.885 3.391 -6.793 1.00 0.00 H new ATOM 558 N GLY A 38 8.970 -3.312 -4.506 1.00 0.00 N ATOM 559 CA GLY A 38 8.968 -4.750 -4.325 1.00 0.00 C ATOM 560 C GLY A 38 7.742 -5.179 -3.531 1.00 0.00 C ATOM 561 O GLY A 38 7.869 -5.758 -2.454 1.00 0.00 O ATOM 0 HA2 GLY A 38 8.973 -5.246 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.874 -5.059 -3.804 1.00 0.00 H new ATOM 565 N VAL A 39 6.553 -4.894 -4.066 1.00 0.00 N ATOM 566 CA VAL A 39 5.312 -5.250 -3.408 1.00 0.00 C ATOM 567 C VAL A 39 4.985 -6.711 -3.681 1.00 0.00 C ATOM 568 O VAL A 39 4.766 -7.096 -4.828 1.00 0.00 O ATOM 569 CB VAL A 39 4.193 -4.342 -3.908 1.00 0.00 C ATOM 570 CG1 VAL A 39 2.913 -4.636 -3.131 1.00 0.00 C ATOM 571 CG2 VAL A 39 4.590 -2.883 -3.701 1.00 0.00 C ATOM 0 H VAL A 39 6.432 -4.415 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 39 5.415 -5.117 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 39 4.024 -4.525 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.113 -3.987 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.629 -5.678 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.082 -4.453 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.790 -2.234 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.760 -2.699 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.504 -2.672 -4.257 1.00 0.00 H new ATOM 581 N ASN A 40 4.953 -7.526 -2.624 1.00 0.00 N ATOM 582 CA ASN A 40 4.652 -8.937 -2.758 1.00 0.00 C ATOM 583 C ASN A 40 3.209 -9.201 -2.351 1.00 0.00 C ATOM 584 O ASN A 40 2.515 -9.988 -2.991 1.00 0.00 O ATOM 585 CB ASN A 40 5.614 -9.744 -1.891 1.00 0.00 C ATOM 586 CG ASN A 40 6.944 -9.950 -2.602 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.518 -8.864 -3.124 1.00 0.00 O flip ATOM 588 ND2 ASN A 40 7.442 -11.071 -2.678 1.00 0.00 N flip ATOM 0 H ASN A 40 5.134 -7.223 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 40 4.775 -9.241 -3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.779 -9.227 -0.946 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.171 -10.711 -1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.964 -11.871 -2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.333 -11.202 -3.157 1.00 0.00 H new ATOM 595 N TRP A 41 2.757 -8.539 -1.284 1.00 0.00 N ATOM 596 CA TRP A 41 1.400 -8.706 -0.803 1.00 0.00 C ATOM 597 C TRP A 41 1.028 -7.548 0.112 1.00 0.00 C ATOM 598 O TRP A 41 1.895 -6.953 0.748 1.00 0.00 O ATOM 599 CB TRP A 41 1.283 -10.037 -0.066 1.00 0.00 C ATOM 600 CG TRP A 41 -0.038 -10.279 0.590 1.00 0.00 C ATOM 601 CD1 TRP A 41 -0.600 -9.487 1.529 1.00 0.00 C ATOM 602 CD2 TRP A 41 -0.979 -11.376 0.379 1.00 0.00 C ATOM 603 NE1 TRP A 41 -1.816 -10.014 1.910 1.00 0.00 N ATOM 604 CE2 TRP A 41 -2.099 -11.181 1.231 1.00 0.00 C ATOM 605 CE3 TRP A 41 -1.000 -12.515 -0.446 1.00 0.00 C ATOM 606 CZ2 TRP A 41 -3.181 -12.066 1.265 1.00 0.00 C ATOM 607 CZ3 TRP A 41 -2.081 -13.409 -0.420 1.00 0.00 C ATOM 608 CH2 TRP A 41 -3.170 -13.188 0.432 1.00 0.00 C ATOM 0 H TRP A 41 3.318 -7.883 -0.741 1.00 0.00 H new ATOM 0 HA TRP A 41 0.710 -8.710 -1.647 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.475 -10.845 -0.772 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.064 -10.085 0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.164 -8.580 1.921 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.430 -9.593 2.607 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -0.170 -12.705 -1.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.015 -11.885 1.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.073 -14.276 -1.064 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.998 -13.882 0.445 1.00 0.00 H new ATOM 619 N VAL A 42 -0.267 -7.230 0.177 1.00 0.00 N ATOM 620 CA VAL A 42 -0.747 -6.147 1.012 1.00 0.00 C ATOM 621 C VAL A 42 -2.009 -6.583 1.744 1.00 0.00 C ATOM 622 O VAL A 42 -2.827 -7.316 1.192 1.00 0.00 O ATOM 623 CB VAL A 42 -1.020 -4.921 0.146 1.00 0.00 C ATOM 624 CG1 VAL A 42 -1.939 -3.962 0.897 1.00 0.00 C ATOM 625 CG2 VAL A 42 0.297 -4.220 -0.172 1.00 0.00 C ATOM 0 H VAL A 42 -0.998 -7.714 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 42 0.010 -5.890 1.753 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.500 -5.231 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.134 -3.086 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.880 -4.463 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.460 -3.651 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.103 -3.344 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.777 -3.910 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.953 -4.905 -0.709 1.00 0.00 H new ATOM 635 N GLU A 43 -2.165 -6.129 2.990 1.00 0.00 N ATOM 636 CA GLU A 43 -3.326 -6.474 3.786 1.00 0.00 C ATOM 637 C GLU A 43 -4.317 -5.319 3.787 1.00 0.00 C ATOM 638 O GLU A 43 -3.944 -4.177 3.529 1.00 0.00 O ATOM 639 CB GLU A 43 -2.884 -6.810 5.208 1.00 0.00 C ATOM 640 CG GLU A 43 -2.011 -8.060 5.187 1.00 0.00 C ATOM 641 CD GLU A 43 -2.300 -8.945 6.392 1.00 0.00 C ATOM 642 OE1 GLU A 43 -3.257 -9.743 6.292 1.00 0.00 O ATOM 643 OE2 GLU A 43 -1.560 -8.806 7.389 1.00 0.00 O ATOM 0 H GLU A 43 -1.496 -5.521 3.462 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.819 -7.346 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.330 -5.974 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.755 -6.973 5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.191 -8.619 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.959 -7.774 5.185 1.00 0.00 H new ATOM 650 N SER A 44 -5.584 -5.619 4.080 1.00 0.00 N ATOM 651 CA SER A 44 -6.620 -4.606 4.116 1.00 0.00 C ATOM 652 C SER A 44 -7.759 -5.063 5.017 1.00 0.00 C ATOM 653 O SER A 44 -8.754 -5.602 4.539 1.00 0.00 O ATOM 654 CB SER A 44 -7.123 -4.345 2.699 1.00 0.00 C ATOM 655 OG SER A 44 -6.029 -4.061 1.857 1.00 0.00 O ATOM 0 H SER A 44 -5.910 -6.561 4.295 1.00 0.00 H new ATOM 0 HA SER A 44 -6.214 -3.679 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.665 -5.215 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.823 -3.509 2.698 1.00 0.00 H new ATOM 0 HG SER A 44 -5.289 -3.704 2.391 1.00 0.00 H new ATOM 661 N GLY A 45 -7.611 -4.845 6.326 1.00 0.00 N ATOM 662 CA GLY A 45 -8.628 -5.234 7.282 1.00 0.00 C ATOM 663 C GLY A 45 -10.009 -4.844 6.772 1.00 0.00 C ATOM 664 O GLY A 45 -10.160 -4.460 5.614 1.00 0.00 O ATOM 0 H GLY A 45 -6.792 -4.400 6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.586 -6.310 7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.438 -4.753 8.242 1.00 0.00 H new ATOM 668 N ASN A 46 -11.018 -4.944 7.640 1.00 0.00 N ATOM 669 CA ASN A 46 -12.377 -4.602 7.273 1.00 0.00 C ATOM 670 C ASN A 46 -12.477 -3.110 6.989 1.00 0.00 C ATOM 671 O ASN A 46 -13.287 -2.413 7.597 1.00 0.00 O ATOM 672 CB ASN A 46 -13.323 -5.002 8.402 1.00 0.00 C ATOM 673 CG ASN A 46 -14.751 -5.133 7.893 1.00 0.00 C ATOM 674 OD1 ASN A 46 -15.063 -6.057 7.144 1.00 0.00 O ATOM 675 ND2 ASN A 46 -15.620 -4.207 8.303 1.00 0.00 N ATOM 0 H ASN A 46 -10.910 -5.261 8.603 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.660 -5.142 6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.999 -5.948 8.835 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.283 -4.257 9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -16.591 -4.247 7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.313 -3.459 8.925 1.00 0.00 H new ATOM 682 N ASN A 47 -11.652 -2.621 6.061 1.00 0.00 N ATOM 683 CA ASN A 47 -11.654 -1.217 5.702 1.00 0.00 C ATOM 684 C ASN A 47 -11.196 -1.049 4.260 1.00 0.00 C ATOM 685 O ASN A 47 -10.328 -1.783 3.793 1.00 0.00 O ATOM 686 CB ASN A 47 -10.739 -0.449 6.652 1.00 0.00 C ATOM 687 CG ASN A 47 -9.508 -1.272 7.005 1.00 0.00 C ATOM 688 OD1 ASN A 47 -9.444 -1.868 8.078 1.00 0.00 O ATOM 689 ND2 ASN A 47 -8.530 -1.307 6.096 1.00 0.00 N ATOM 0 H ASN A 47 -10.975 -3.185 5.548 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.665 -0.819 5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.433 0.490 6.190 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.284 -0.194 7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.683 -1.846 6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.630 -0.795 5.219 1.00 0.00 H new ATOM 696 N VAL A 48 -11.782 -0.079 3.556 1.00 0.00 N ATOM 697 CA VAL A 48 -11.433 0.181 2.174 1.00 0.00 C ATOM 698 C VAL A 48 -10.312 1.208 2.111 1.00 0.00 C ATOM 699 O VAL A 48 -10.436 2.300 2.661 1.00 0.00 O ATOM 700 CB VAL A 48 -12.666 0.679 1.424 1.00 0.00 C ATOM 701 CG1 VAL A 48 -12.355 0.762 -0.068 1.00 0.00 C ATOM 702 CG2 VAL A 48 -13.823 -0.290 1.649 1.00 0.00 C ATOM 0 H VAL A 48 -12.503 0.538 3.930 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.084 -0.738 1.703 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.942 1.667 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.235 1.117 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.528 1.453 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.080 -0.226 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.704 0.065 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.547 -1.278 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.045 -0.350 2.714 1.00 0.00 H new ATOM 712 N VAL A 49 -9.215 0.856 1.436 1.00 0.00 N ATOM 713 CA VAL A 49 -8.079 1.746 1.304 1.00 0.00 C ATOM 714 C VAL A 49 -7.565 1.715 -0.128 1.00 0.00 C ATOM 715 O VAL A 49 -7.489 0.652 -0.740 1.00 0.00 O ATOM 716 CB VAL A 49 -6.986 1.323 2.280 1.00 0.00 C ATOM 717 CG1 VAL A 49 -5.699 2.078 1.962 1.00 0.00 C ATOM 718 CG2 VAL A 49 -7.425 1.646 3.706 1.00 0.00 C ATOM 0 H VAL A 49 -9.098 -0.046 0.973 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.382 2.766 1.539 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.811 0.251 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.918 1.776 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.385 1.849 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.874 3.150 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.644 1.344 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.600 2.718 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.344 1.107 3.935 1.00 0.00 H new ATOM 728 N THR A 50 -7.211 2.886 -0.664 1.00 0.00 N ATOM 729 CA THR A 50 -6.706 2.982 -2.018 1.00 0.00 C ATOM 730 C THR A 50 -5.185 3.014 -2.004 1.00 0.00 C ATOM 731 O THR A 50 -4.584 3.774 -1.248 1.00 0.00 O ATOM 732 CB THR A 50 -7.267 4.237 -2.681 1.00 0.00 C ATOM 733 OG1 THR A 50 -8.544 3.958 -3.211 1.00 0.00 O ATOM 734 CG2 THR A 50 -6.335 4.678 -3.807 1.00 0.00 C ATOM 0 H THR A 50 -7.269 3.778 -0.172 1.00 0.00 H new ATOM 0 HA THR A 50 -7.024 2.110 -2.590 1.00 0.00 H new ATOM 0 HB THR A 50 -7.346 5.034 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.224 4.107 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.735 5.574 -4.281 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.348 4.894 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.256 3.881 -4.547 1.00 0.00 H new ATOM 742 N LEU A 51 -4.561 2.184 -2.844 1.00 0.00 N ATOM 743 CA LEU A 51 -3.116 2.121 -2.925 1.00 0.00 C ATOM 744 C LEU A 51 -2.646 2.715 -4.245 1.00 0.00 C ATOM 745 O LEU A 51 -3.095 2.298 -5.311 1.00 0.00 O ATOM 746 CB LEU A 51 -2.663 0.670 -2.794 1.00 0.00 C ATOM 747 CG LEU A 51 -2.653 0.271 -1.321 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.783 -0.968 -1.134 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.091 1.419 -0.487 1.00 0.00 C ATOM 0 H LEU A 51 -5.045 1.547 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.677 2.700 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.332 0.017 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.668 0.549 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.670 0.051 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.776 -1.252 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.185 -1.788 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.765 -0.750 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.084 1.135 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.074 1.640 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.714 2.304 -0.619 1.00 0.00 H new ATOM 761 N GLN A 52 -1.738 3.691 -4.173 1.00 0.00 N ATOM 762 CA GLN A 52 -1.214 4.336 -5.360 1.00 0.00 C ATOM 763 C GLN A 52 0.259 3.992 -5.527 1.00 0.00 C ATOM 764 O GLN A 52 1.099 4.458 -4.761 1.00 0.00 O ATOM 765 CB GLN A 52 -1.406 5.846 -5.243 1.00 0.00 C ATOM 766 CG GLN A 52 -2.826 6.213 -5.667 1.00 0.00 C ATOM 767 CD GLN A 52 -2.840 7.526 -6.437 1.00 0.00 C ATOM 768 OE1 GLN A 52 -3.362 8.527 -5.951 1.00 0.00 O ATOM 769 NE2 GLN A 52 -2.265 7.519 -7.642 1.00 0.00 N ATOM 0 H GLN A 52 -1.355 4.047 -3.297 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.751 3.980 -6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.227 6.168 -4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.682 6.365 -5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.242 5.419 -6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.463 6.296 -4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.845 6.662 -8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.246 8.371 -8.203 1.00 0.00 H new ATOM 778 N PHE A 53 0.572 3.173 -6.534 1.00 0.00 N ATOM 779 CA PHE A 53 1.940 2.773 -6.795 1.00 0.00 C ATOM 780 C PHE A 53 2.228 2.859 -8.287 1.00 0.00 C ATOM 781 O PHE A 53 1.313 2.777 -9.104 1.00 0.00 O ATOM 782 CB PHE A 53 2.160 1.352 -6.283 1.00 0.00 C ATOM 783 CG PHE A 53 1.323 0.317 -6.997 1.00 0.00 C ATOM 784 CD1 PHE A 53 -0.001 0.093 -6.602 1.00 0.00 C ATOM 785 CD2 PHE A 53 1.873 -0.420 -8.053 1.00 0.00 C ATOM 786 CE1 PHE A 53 -0.776 -0.867 -7.263 1.00 0.00 C ATOM 787 CE2 PHE A 53 1.098 -1.380 -8.714 1.00 0.00 C ATOM 788 CZ PHE A 53 -0.226 -1.604 -8.319 1.00 0.00 C ATOM 0 H PHE A 53 -0.112 2.778 -7.179 1.00 0.00 H new ATOM 0 HA PHE A 53 2.624 3.443 -6.274 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.213 1.094 -6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.933 1.319 -5.217 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.425 0.661 -5.787 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.895 -0.248 -8.357 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.798 -1.039 -6.959 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.522 -1.948 -9.529 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.823 -2.345 -8.829 1.00 0.00 H new ATOM 798 N GLN A 54 3.504 3.025 -8.642 1.00 0.00 N ATOM 799 CA GLN A 54 3.904 3.122 -10.032 1.00 0.00 C ATOM 800 C GLN A 54 4.509 1.802 -10.489 1.00 0.00 C ATOM 801 O GLN A 54 5.576 1.410 -10.020 1.00 0.00 O ATOM 802 CB GLN A 54 4.907 4.261 -10.192 1.00 0.00 C ATOM 803 CG GLN A 54 4.732 4.905 -11.564 1.00 0.00 C ATOM 804 CD GLN A 54 5.426 6.258 -11.621 1.00 0.00 C ATOM 805 OE1 GLN A 54 4.898 7.250 -11.123 1.00 0.00 O ATOM 806 NE2 GLN A 54 6.613 6.297 -12.231 1.00 0.00 N ATOM 0 H GLN A 54 4.274 3.094 -7.977 1.00 0.00 H new ATOM 0 HA GLN A 54 3.032 3.332 -10.652 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.758 5.004 -9.408 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.923 3.883 -10.083 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.141 4.249 -12.333 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.671 5.027 -11.780 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.010 5.446 -12.629 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.123 7.178 -12.299 1.00 0.00 H new ATOM 815 N ARG A 55 3.825 1.117 -11.407 1.00 0.00 N ATOM 816 CA ARG A 55 4.296 -0.153 -11.922 1.00 0.00 C ATOM 817 C ARG A 55 5.733 -0.013 -12.403 1.00 0.00 C ATOM 818 O ARG A 55 6.617 -0.733 -11.944 1.00 0.00 O ATOM 819 CB ARG A 55 3.387 -0.608 -13.060 1.00 0.00 C ATOM 820 CG ARG A 55 3.722 -2.050 -13.433 1.00 0.00 C ATOM 821 CD ARG A 55 2.448 -2.776 -13.853 1.00 0.00 C ATOM 822 NE ARG A 55 2.300 -4.038 -13.129 1.00 0.00 N ATOM 823 CZ ARG A 55 3.041 -5.121 -13.398 1.00 0.00 C ATOM 824 NH1 ARG A 55 3.967 -5.076 -14.366 1.00 0.00 N ATOM 825 NH2 ARG A 55 2.858 -6.250 -12.700 1.00 0.00 N ATOM 0 H ARG A 55 2.940 1.429 -11.806 1.00 0.00 H new ATOM 0 HA ARG A 55 4.270 -0.903 -11.131 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.342 -0.533 -12.758 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.516 0.042 -13.925 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.448 -2.067 -14.246 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.181 -2.559 -12.585 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.583 -2.140 -13.663 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.472 -2.969 -14.926 1.00 0.00 H new ATOM 0 HE ARG A 55 1.602 -4.096 -12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.107 -4.217 -14.898 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.531 -5.901 -14.571 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.154 -6.285 -11.963 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.423 -7.074 -12.906 1.00 0.00 H new ATOM 839 N ASN A 56 5.966 0.917 -13.332 1.00 0.00 N ATOM 840 CA ASN A 56 7.293 1.145 -13.868 1.00 0.00 C ATOM 841 C ASN A 56 7.795 2.518 -13.443 1.00 0.00 C ATOM 842 O ASN A 56 7.015 3.461 -13.336 1.00 0.00 O ATOM 843 CB ASN A 56 7.252 1.032 -15.389 1.00 0.00 C ATOM 844 CG ASN A 56 7.030 -0.411 -15.820 1.00 0.00 C ATOM 845 OD1 ASN A 56 6.136 -1.082 -15.310 1.00 0.00 O ATOM 846 ND2 ASN A 56 7.845 -0.886 -16.765 1.00 0.00 N ATOM 0 H ASN A 56 5.244 1.522 -13.724 1.00 0.00 H new ATOM 0 HA ASN A 56 7.980 0.394 -13.478 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.453 1.661 -15.783 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.187 1.402 -15.811 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.740 -1.846 -17.094 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.573 -0.289 -17.158 1.00 0.00 H new ATOM 853 N LEU A 57 9.104 2.627 -13.201 1.00 0.00 N ATOM 854 CA LEU A 57 9.704 3.881 -12.791 1.00 0.00 C ATOM 855 C LEU A 57 10.021 4.727 -14.016 1.00 0.00 C ATOM 856 O LEU A 57 9.591 5.875 -14.109 1.00 0.00 O ATOM 857 CB LEU A 57 10.969 3.600 -11.986 1.00 0.00 C ATOM 858 CG LEU A 57 11.669 4.916 -11.661 1.00 0.00 C ATOM 859 CD1 LEU A 57 10.713 5.824 -10.893 1.00 0.00 C ATOM 860 CD2 LEU A 57 12.904 4.639 -10.809 1.00 0.00 C ATOM 0 H LEU A 57 9.764 1.853 -13.285 1.00 0.00 H new ATOM 0 HA LEU A 57 9.005 4.434 -12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.717 3.073 -11.066 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.637 2.951 -12.553 1.00 0.00 H new ATOM 0 HG LEU A 57 11.970 5.406 -12.587 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.212 6.765 -10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.831 6.022 -11.502 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.411 5.335 -9.967 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.404 5.579 -10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.604 4.149 -9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.587 3.991 -11.358 1.00 0.00 H new ATOM 872 N SER A 58 10.778 4.157 -14.957 1.00 0.00 N ATOM 873 CA SER A 58 11.147 4.861 -16.169 1.00 0.00 C ATOM 874 C SER A 58 9.916 5.515 -16.782 1.00 0.00 C ATOM 875 O SER A 58 9.963 6.675 -17.184 1.00 0.00 O ATOM 876 CB SER A 58 11.784 3.881 -17.150 1.00 0.00 C ATOM 877 OG SER A 58 12.527 4.596 -18.111 1.00 0.00 O ATOM 0 H SER A 58 11.144 3.207 -14.894 1.00 0.00 H new ATOM 0 HA SER A 58 11.870 5.643 -15.935 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.432 3.186 -16.617 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.013 3.286 -17.639 1.00 0.00 H new ATOM 0 HG SER A 58 12.938 3.967 -18.741 1.00 0.00 H new ATOM 883 N ASP A 59 8.813 4.767 -16.850 1.00 0.00 N ATOM 884 CA ASP A 59 7.578 5.276 -17.412 1.00 0.00 C ATOM 885 C ASP A 59 6.599 5.603 -16.294 1.00 0.00 C ATOM 886 O ASP A 59 6.548 4.900 -15.287 1.00 0.00 O ATOM 887 CB ASP A 59 6.987 4.239 -18.363 1.00 0.00 C ATOM 888 CG ASP A 59 5.641 4.701 -18.902 1.00 0.00 C ATOM 889 OD1 ASP A 59 4.655 4.587 -18.142 1.00 0.00 O ATOM 890 OD2 ASP A 59 5.622 5.160 -20.065 1.00 0.00 O ATOM 0 H ASP A 59 8.758 3.804 -16.519 1.00 0.00 H new ATOM 0 HA ASP A 59 7.778 6.190 -17.971 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.675 4.065 -19.191 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.868 3.289 -17.843 1.00 0.00 H new ATOM 895 N PRO A 60 5.822 6.674 -16.471 1.00 0.00 N ATOM 896 CA PRO A 60 4.835 7.133 -15.518 1.00 0.00 C ATOM 897 C PRO A 60 3.647 6.182 -15.515 1.00 0.00 C ATOM 898 O PRO A 60 2.501 6.618 -15.604 1.00 0.00 O ATOM 899 CB PRO A 60 4.427 8.519 -16.013 1.00 0.00 C ATOM 900 CG PRO A 60 4.617 8.407 -17.525 1.00 0.00 C ATOM 901 CD PRO A 60 5.857 7.523 -17.643 1.00 0.00 C ATOM 0 HA PRO A 60 5.215 7.169 -14.497 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.395 8.755 -15.751 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.052 9.302 -15.584 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.751 7.956 -18.010 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.769 9.382 -17.987 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.836 6.933 -18.559 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.768 8.121 -17.670 1.00 0.00 H new ATOM 909 N ARG A 61 3.922 4.880 -15.415 1.00 0.00 N ATOM 910 CA ARG A 61 2.877 3.876 -15.404 1.00 0.00 C ATOM 911 C ARG A 61 2.170 3.881 -14.057 1.00 0.00 C ATOM 912 O ARG A 61 2.447 3.039 -13.205 1.00 0.00 O ATOM 913 CB ARG A 61 3.487 2.506 -15.689 1.00 0.00 C ATOM 914 CG ARG A 61 3.054 2.035 -17.075 1.00 0.00 C ATOM 915 CD ARG A 61 2.572 0.589 -16.993 1.00 0.00 C ATOM 916 NE ARG A 61 1.751 0.243 -18.153 1.00 0.00 N ATOM 917 CZ ARG A 61 0.557 0.802 -18.390 1.00 0.00 C ATOM 918 NH1 ARG A 61 0.068 1.722 -17.546 1.00 0.00 N ATOM 919 NH2 ARG A 61 -0.150 0.442 -19.470 1.00 0.00 N ATOM 0 H ARG A 61 4.867 4.503 -15.341 1.00 0.00 H new ATOM 0 HA ARG A 61 2.143 4.101 -16.178 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.574 2.562 -15.635 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.167 1.789 -14.933 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.257 2.674 -17.456 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.887 2.113 -17.774 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.430 -0.081 -16.937 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.995 0.445 -16.079 1.00 0.00 H new ATOM 0 HE ARG A 61 2.103 -0.454 -18.810 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.605 1.996 -16.723 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.841 2.148 -17.727 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.221 -0.258 -20.112 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.059 0.868 -19.650 1.00 0.00 H new ATOM 933 N LEU A 62 1.255 4.834 -13.865 1.00 0.00 N ATOM 934 CA LEU A 62 0.513 4.943 -12.624 1.00 0.00 C ATOM 935 C LEU A 62 -0.577 3.883 -12.578 1.00 0.00 C ATOM 936 O LEU A 62 -1.276 3.665 -13.566 1.00 0.00 O ATOM 937 CB LEU A 62 -0.087 6.342 -12.513 1.00 0.00 C ATOM 938 CG LEU A 62 0.631 7.118 -11.413 1.00 0.00 C ATOM 939 CD1 LEU A 62 -0.071 6.879 -10.080 1.00 0.00 C ATOM 940 CD2 LEU A 62 2.079 6.644 -11.318 1.00 0.00 C ATOM 0 H LEU A 62 1.015 5.540 -14.561 1.00 0.00 H new ATOM 0 HA LEU A 62 1.183 4.781 -11.780 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.008 6.866 -13.464 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.152 6.276 -12.290 1.00 0.00 H new ATOM 0 HG LEU A 62 0.612 8.182 -11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.442 7.433 -9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.105 7.218 -10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.052 5.815 -9.845 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.592 7.198 -10.532 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.099 5.580 -11.084 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.581 6.815 -12.270 1.00 0.00 H new ATOM 952 N GLU A 63 -0.723 3.223 -11.427 1.00 0.00 N ATOM 953 CA GLU A 63 -1.728 2.192 -11.262 1.00 0.00 C ATOM 954 C GLU A 63 -2.408 2.342 -9.909 1.00 0.00 C ATOM 955 O GLU A 63 -1.746 2.575 -8.900 1.00 0.00 O ATOM 956 CB GLU A 63 -1.072 0.819 -11.388 1.00 0.00 C ATOM 957 CG GLU A 63 -0.463 0.673 -12.779 1.00 0.00 C ATOM 958 CD GLU A 63 -0.058 -0.770 -13.046 1.00 0.00 C ATOM 959 OE1 GLU A 63 0.343 -1.437 -12.067 1.00 0.00 O ATOM 960 OE2 GLU A 63 -0.157 -1.179 -14.223 1.00 0.00 O ATOM 0 H GLU A 63 -0.152 3.391 -10.598 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.486 2.292 -12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.300 0.701 -10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.809 0.035 -11.218 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.182 0.998 -13.531 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.408 1.322 -12.869 1.00 0.00 H new ATOM 967 N THR A 64 -3.737 2.208 -9.888 1.00 0.00 N ATOM 968 CA THR A 64 -4.495 2.328 -8.659 1.00 0.00 C ATOM 969 C THR A 64 -5.154 0.998 -8.324 1.00 0.00 C ATOM 970 O THR A 64 -5.643 0.303 -9.212 1.00 0.00 O ATOM 971 CB THR A 64 -5.543 3.426 -8.815 1.00 0.00 C ATOM 972 OG1 THR A 64 -6.095 3.368 -10.111 1.00 0.00 O ATOM 973 CG2 THR A 64 -4.889 4.788 -8.601 1.00 0.00 C ATOM 0 H THR A 64 -4.303 2.016 -10.715 1.00 0.00 H new ATOM 0 HA THR A 64 -3.826 2.594 -7.840 1.00 0.00 H new ATOM 0 HB THR A 64 -6.332 3.282 -8.077 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.769 4.072 -10.211 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.637 5.573 -8.712 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.462 4.833 -7.599 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.099 4.932 -9.339 1.00 0.00 H new ATOM 981 N ILE A 65 -5.166 0.644 -7.037 1.00 0.00 N ATOM 982 CA ILE A 65 -5.764 -0.597 -6.588 1.00 0.00 C ATOM 983 C ILE A 65 -6.557 -0.354 -5.311 1.00 0.00 C ATOM 984 O ILE A 65 -6.027 0.187 -4.343 1.00 0.00 O ATOM 985 CB ILE A 65 -4.670 -1.634 -6.357 1.00 0.00 C ATOM 986 CG1 ILE A 65 -5.299 -3.019 -6.228 1.00 0.00 C ATOM 987 CG2 ILE A 65 -3.913 -1.298 -5.075 1.00 0.00 C ATOM 988 CD1 ILE A 65 -4.199 -4.065 -6.078 1.00 0.00 C ATOM 0 H ILE A 65 -4.763 1.209 -6.290 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.447 -0.973 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.979 -1.626 -7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.964 -3.049 -5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.906 -3.238 -7.106 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.131 -2.039 -4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.463 -0.310 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.604 -1.305 -4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.648 -5.054 -5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.552 -4.040 -6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.611 -3.849 -5.186 1.00 0.00 H new ATOM 1000 N THR A 66 -7.830 -0.755 -5.310 1.00 0.00 N ATOM 1001 CA THR A 66 -8.683 -0.578 -4.152 1.00 0.00 C ATOM 1002 C THR A 66 -8.843 -1.902 -3.418 1.00 0.00 C ATOM 1003 O THR A 66 -9.290 -2.888 -4.000 1.00 0.00 O ATOM 1004 CB THR A 66 -10.040 -0.041 -4.599 1.00 0.00 C ATOM 1005 OG1 THR A 66 -9.880 1.254 -5.134 1.00 0.00 O ATOM 1006 CG2 THR A 66 -10.984 0.017 -3.401 1.00 0.00 C ATOM 0 H THR A 66 -8.286 -1.205 -6.104 1.00 0.00 H new ATOM 0 HA THR A 66 -8.229 0.139 -3.469 1.00 0.00 H new ATOM 0 HB THR A 66 -10.458 -0.700 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.751 1.599 -5.423 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.953 0.400 -3.720 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.108 -0.984 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.566 0.676 -2.640 1.00 0.00 H new ATOM 1014 N LEU A 67 -8.475 -1.922 -2.135 1.00 0.00 N ATOM 1015 CA LEU A 67 -8.579 -3.121 -1.328 1.00 0.00 C ATOM 1016 C LEU A 67 -9.878 -3.100 -0.536 1.00 0.00 C ATOM 1017 O LEU A 67 -10.150 -2.146 0.190 1.00 0.00 O ATOM 1018 CB LEU A 67 -7.377 -3.209 -0.392 1.00 0.00 C ATOM 1019 CG LEU A 67 -6.096 -2.967 -1.185 1.00 0.00 C ATOM 1020 CD1 LEU A 67 -5.095 -2.210 -0.317 1.00 0.00 C ATOM 1021 CD2 LEU A 67 -5.497 -4.307 -1.603 1.00 0.00 C ATOM 0 H LEU A 67 -8.102 -1.113 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.585 -3.999 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.469 -2.471 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.344 -4.189 0.083 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.324 -2.378 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.180 -2.037 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.523 -1.253 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.866 -2.798 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.582 -4.136 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.269 -4.896 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.212 -4.847 -2.223 1.00 0.00 H new ATOM 1033 N GLN A 68 -10.682 -4.156 -0.676 1.00 0.00 N ATOM 1034 CA GLN A 68 -11.947 -4.253 0.025 1.00 0.00 C ATOM 1035 C GLN A 68 -11.716 -4.768 1.438 1.00 0.00 C ATOM 1036 O GLN A 68 -10.578 -5.004 1.837 1.00 0.00 O ATOM 1037 CB GLN A 68 -12.882 -5.182 -0.743 1.00 0.00 C ATOM 1038 CG GLN A 68 -13.130 -4.616 -2.139 1.00 0.00 C ATOM 1039 CD GLN A 68 -14.172 -3.508 -2.099 1.00 0.00 C ATOM 1040 OE1 GLN A 68 -15.352 -3.754 -2.338 1.00 0.00 O ATOM 1041 NE2 GLN A 68 -13.732 -2.284 -1.796 1.00 0.00 N ATOM 0 H GLN A 68 -10.471 -4.955 -1.273 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.408 -3.267 0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.444 -6.177 -0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.826 -5.287 -0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.197 -4.229 -2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.465 -5.412 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.742 -2.131 -1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.386 -1.503 -1.755 1.00 0.00 H new ATOM 1050 N LYS A 69 -12.801 -4.943 2.196 1.00 0.00 N ATOM 1051 CA LYS A 69 -12.710 -5.429 3.559 1.00 0.00 C ATOM 1052 C LYS A 69 -11.902 -6.718 3.596 1.00 0.00 C ATOM 1053 O LYS A 69 -12.102 -7.603 2.767 1.00 0.00 O ATOM 1054 CB LYS A 69 -14.114 -5.655 4.112 1.00 0.00 C ATOM 1055 CG LYS A 69 -15.001 -4.467 3.750 1.00 0.00 C ATOM 1056 CD LYS A 69 -15.601 -3.874 5.021 1.00 0.00 C ATOM 1057 CE LYS A 69 -16.911 -3.167 4.683 1.00 0.00 C ATOM 1058 NZ LYS A 69 -17.609 -2.738 5.905 1.00 0.00 N ATOM 0 H LYS A 69 -13.752 -4.752 1.880 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.203 -4.689 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.534 -6.574 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.075 -5.777 5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.418 -3.711 3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.795 -4.785 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.779 -4.661 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.901 -3.170 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.709 -2.301 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.552 -3.836 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.496 -2.260 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.821 -3.569 6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.004 -2.081 6.438 1.00 0.00 H new ATOM 1072 N TRP A 70 -10.986 -6.824 4.561 1.00 0.00 N ATOM 1073 CA TRP A 70 -10.157 -8.004 4.698 1.00 0.00 C ATOM 1074 C TRP A 70 -9.528 -8.355 3.357 1.00 0.00 C ATOM 1075 O TRP A 70 -9.276 -9.524 3.074 1.00 0.00 O ATOM 1076 CB TRP A 70 -11.004 -9.162 5.218 1.00 0.00 C ATOM 1077 CG TRP A 70 -11.841 -8.842 6.415 1.00 0.00 C ATOM 1078 CD1 TRP A 70 -13.190 -8.781 6.430 1.00 0.00 C ATOM 1079 CD2 TRP A 70 -11.412 -8.537 7.777 1.00 0.00 C ATOM 1080 NE1 TRP A 70 -13.623 -8.461 7.700 1.00 0.00 N ATOM 1081 CE2 TRP A 70 -12.566 -8.298 8.572 1.00 0.00 C ATOM 1082 CE3 TRP A 70 -10.167 -8.436 8.422 1.00 0.00 C ATOM 1083 CZ2 TRP A 70 -12.490 -7.978 9.930 1.00 0.00 C ATOM 1084 CZ3 TRP A 70 -10.080 -8.116 9.785 1.00 0.00 C ATOM 1085 CH2 TRP A 70 -11.236 -7.886 10.540 1.00 0.00 C ATOM 0 H TRP A 70 -10.806 -6.100 5.257 1.00 0.00 H new ATOM 0 HA TRP A 70 -9.356 -7.808 5.410 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.658 -9.503 4.416 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.344 -9.993 5.466 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -13.831 -8.956 5.579 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -14.603 -8.358 7.962 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.262 -8.608 7.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.390 -7.804 10.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.111 -8.046 10.257 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.159 -7.639 11.589 1.00 0.00 H new ATOM 1096 N GLY A 71 -9.276 -7.338 2.530 1.00 0.00 N ATOM 1097 CA GLY A 71 -8.679 -7.548 1.226 1.00 0.00 C ATOM 1098 C GLY A 71 -7.167 -7.676 1.352 1.00 0.00 C ATOM 1099 O GLY A 71 -6.573 -7.148 2.289 1.00 0.00 O ATOM 0 H GLY A 71 -9.479 -6.363 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.090 -8.449 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.927 -6.716 0.567 1.00 0.00 H new ATOM 1103 N SER A 72 -6.546 -8.382 0.404 1.00 0.00 N ATOM 1104 CA SER A 72 -5.110 -8.575 0.414 1.00 0.00 C ATOM 1105 C SER A 72 -4.559 -8.427 -0.998 1.00 0.00 C ATOM 1106 O SER A 72 -5.295 -8.571 -1.972 1.00 0.00 O ATOM 1107 CB SER A 72 -4.787 -9.955 0.978 1.00 0.00 C ATOM 1108 OG SER A 72 -5.906 -10.449 1.680 1.00 0.00 O ATOM 0 H SER A 72 -7.025 -8.827 -0.379 1.00 0.00 H new ATOM 0 HA SER A 72 -4.642 -7.820 1.046 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.521 -10.637 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.925 -9.896 1.642 1.00 0.00 H new ATOM 0 HG SER A 72 -6.011 -11.406 1.496 1.00 0.00 H new ATOM 1114 N TRP A 73 -3.261 -8.138 -1.107 1.00 0.00 N ATOM 1115 CA TRP A 73 -2.623 -7.976 -2.398 1.00 0.00 C ATOM 1116 C TRP A 73 -1.353 -8.812 -2.458 1.00 0.00 C ATOM 1117 O TRP A 73 -0.597 -8.869 -1.490 1.00 0.00 O ATOM 1118 CB TRP A 73 -2.310 -6.500 -2.628 1.00 0.00 C ATOM 1119 CG TRP A 73 -1.986 -6.138 -4.042 1.00 0.00 C ATOM 1120 CD1 TRP A 73 -2.447 -6.781 -5.137 1.00 0.00 C ATOM 1121 CD2 TRP A 73 -1.137 -5.059 -4.540 1.00 0.00 C ATOM 1122 NE1 TRP A 73 -1.945 -6.178 -6.271 1.00 0.00 N ATOM 1123 CE2 TRP A 73 -1.129 -5.109 -5.960 1.00 0.00 C ATOM 1124 CE3 TRP A 73 -0.373 -4.044 -3.937 1.00 0.00 C ATOM 1125 CZ2 TRP A 73 -0.405 -4.203 -6.740 1.00 0.00 C ATOM 1126 CZ3 TRP A 73 0.358 -3.130 -4.710 1.00 0.00 C ATOM 1127 CH2 TRP A 73 0.344 -3.207 -6.108 1.00 0.00 C ATOM 0 H TRP A 73 -2.637 -8.013 -0.310 1.00 0.00 H new ATOM 0 HA TRP A 73 -3.296 -8.319 -3.184 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -3.165 -5.907 -2.303 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -1.469 -6.219 -1.994 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -3.107 -7.636 -5.126 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -2.151 -6.484 -7.222 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.349 -3.967 -2.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -0.424 -4.272 -7.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.937 -2.360 -4.222 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.910 -2.499 -6.696 1.00 0.00 H new ATOM 1138 N ASN A 74 -1.119 -9.464 -3.599 1.00 0.00 N ATOM 1139 CA ASN A 74 0.057 -10.292 -3.778 1.00 0.00 C ATOM 1140 C ASN A 74 0.465 -10.305 -5.244 1.00 0.00 C ATOM 1141 O ASN A 74 0.253 -11.294 -5.942 1.00 0.00 O ATOM 1142 CB ASN A 74 -0.239 -11.706 -3.287 1.00 0.00 C ATOM 1143 CG ASN A 74 0.995 -12.589 -3.397 1.00 0.00 C ATOM 1144 OD1 ASN A 74 0.788 -13.875 -3.692 1.00 0.00 O flip ATOM 1145 ND2 ASN A 74 2.116 -12.118 -3.218 1.00 0.00 N flip ATOM 0 H ASN A 74 -1.736 -9.429 -4.411 1.00 0.00 H new ATOM 0 HA ASN A 74 0.884 -9.884 -3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.576 -11.672 -2.251 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.052 -12.136 -3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.224 -11.129 -2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.939 -12.716 -3.293 1.00 0.00 H new ATOM 1152 N PRO A 75 1.053 -9.201 -5.711 1.00 0.00 N ATOM 1153 CA PRO A 75 1.509 -9.033 -7.074 1.00 0.00 C ATOM 1154 C PRO A 75 2.753 -9.879 -7.304 1.00 0.00 C ATOM 1155 O PRO A 75 2.666 -10.984 -7.834 1.00 0.00 O ATOM 1156 CB PRO A 75 1.827 -7.545 -7.200 1.00 0.00 C ATOM 1157 CG PRO A 75 2.247 -7.167 -5.780 1.00 0.00 C ATOM 1158 CD PRO A 75 1.318 -8.020 -4.919 1.00 0.00 C ATOM 0 HA PRO A 75 0.770 -9.348 -7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.624 -7.361 -7.920 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.960 -6.973 -7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.296 -7.396 -5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.114 -6.102 -5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.787 -8.279 -3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.397 -7.487 -4.685 1.00 0.00 H new ATOM 1166 N GLY A 76 3.916 -9.356 -6.904 1.00 0.00 N ATOM 1167 CA GLY A 76 5.167 -10.067 -7.072 1.00 0.00 C ATOM 1168 C GLY A 76 6.334 -9.090 -7.066 1.00 0.00 C ATOM 1169 O GLY A 76 7.042 -8.959 -8.062 1.00 0.00 O ATOM 0 H GLY A 76 4.007 -8.441 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.290 -10.796 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.154 -10.623 -8.009 1.00 0.00 H new ATOM 1173 N HIS A 77 6.533 -8.403 -5.939 1.00 0.00 N ATOM 1174 CA HIS A 77 7.609 -7.441 -5.808 1.00 0.00 C ATOM 1175 C HIS A 77 7.366 -6.264 -6.741 1.00 0.00 C ATOM 1176 O HIS A 77 7.700 -6.327 -7.922 1.00 0.00 O ATOM 1177 CB HIS A 77 8.938 -8.120 -6.128 1.00 0.00 C ATOM 1178 CG HIS A 77 10.108 -7.180 -6.033 1.00 0.00 C ATOM 1179 ND1 HIS A 77 10.182 -5.920 -6.596 1.00 0.00 N ATOM 1180 CD2 HIS A 77 11.280 -7.425 -5.375 1.00 0.00 C ATOM 1181 CE1 HIS A 77 11.386 -5.407 -6.283 1.00 0.00 C ATOM 1182 NE2 HIS A 77 12.068 -6.302 -5.543 1.00 0.00 N ATOM 0 H HIS A 77 5.955 -8.502 -5.104 1.00 0.00 H new ATOM 0 HA HIS A 77 7.644 -7.066 -4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 77 9.090 -8.953 -5.442 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.894 -8.539 -7.133 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.540 -8.321 -4.830 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.748 -4.433 -6.578 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.008 -6.173 -5.169 1.00 0.00 H new ATOM 1191 N ILE A 78 6.782 -5.188 -6.209 1.00 0.00 N ATOM 1192 CA ILE A 78 6.499 -4.002 -6.993 1.00 0.00 C ATOM 1193 C ILE A 78 7.677 -3.041 -6.918 1.00 0.00 C ATOM 1194 O ILE A 78 8.417 -3.039 -5.936 1.00 0.00 O ATOM 1195 CB ILE A 78 5.226 -3.341 -6.473 1.00 0.00 C ATOM 1196 CG1 ILE A 78 4.066 -4.329 -6.559 1.00 0.00 C ATOM 1197 CG2 ILE A 78 4.910 -2.110 -7.318 1.00 0.00 C ATOM 1198 CD1 ILE A 78 3.225 -4.019 -7.794 1.00 0.00 C ATOM 0 H ILE A 78 6.498 -5.122 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 78 6.348 -4.278 -8.037 1.00 0.00 H new ATOM 0 HB ILE A 78 5.371 -3.042 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.446 -5.349 -6.611 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.451 -4.264 -5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.001 -1.638 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.738 -1.403 -7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.766 -2.409 -8.356 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.396 -4.724 -7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.833 -3.004 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.844 -4.107 -8.687 1.00 0.00 H new ATOM 1210 N HIS A 79 7.850 -2.223 -7.958 1.00 0.00 N ATOM 1211 CA HIS A 79 8.936 -1.264 -8.005 1.00 0.00 C ATOM 1212 C HIS A 79 8.985 -0.477 -6.703 1.00 0.00 C ATOM 1213 O HIS A 79 9.826 -0.743 -5.847 1.00 0.00 O ATOM 1214 CB HIS A 79 8.735 -0.329 -9.195 1.00 0.00 C ATOM 1215 CG HIS A 79 9.489 0.965 -9.050 1.00 0.00 C ATOM 1216 ND1 HIS A 79 10.818 1.092 -8.694 1.00 0.00 N ATOM 1217 CD2 HIS A 79 8.977 2.217 -9.247 1.00 0.00 C ATOM 1218 CE1 HIS A 79 11.109 2.405 -8.675 1.00 0.00 C ATOM 1219 NE2 HIS A 79 10.007 3.105 -9.008 1.00 0.00 N ATOM 0 H HIS A 79 7.244 -2.212 -8.779 1.00 0.00 H new ATOM 0 HA HIS A 79 9.885 -1.787 -8.126 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.058 -0.833 -10.106 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.672 -0.115 -9.308 1.00 0.00 H new ATOM 0 HD1 HIS A 79 11.461 0.329 -8.484 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.965 2.463 -9.533 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.072 2.830 -8.432 1.00 0.00 H new ATOM 1228 N GLU A 80 8.081 0.494 -6.554 1.00 0.00 N ATOM 1229 CA GLU A 80 8.029 1.310 -5.357 1.00 0.00 C ATOM 1230 C GLU A 80 6.662 1.967 -5.236 1.00 0.00 C ATOM 1231 O GLU A 80 6.020 2.262 -6.242 1.00 0.00 O ATOM 1232 CB GLU A 80 9.133 2.362 -5.412 1.00 0.00 C ATOM 1233 CG GLU A 80 9.172 3.127 -4.093 1.00 0.00 C ATOM 1234 CD GLU A 80 9.524 4.590 -4.324 1.00 0.00 C ATOM 1235 OE1 GLU A 80 10.447 4.831 -5.131 1.00 0.00 O ATOM 1236 OE2 GLU A 80 8.864 5.440 -3.688 1.00 0.00 O ATOM 0 H GLU A 80 7.377 0.728 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 80 8.185 0.683 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.096 1.885 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.954 3.050 -6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.204 3.056 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.905 2.673 -3.426 1.00 0.00 H new ATOM 1243 N ILE A 81 6.217 2.197 -3.999 1.00 0.00 N ATOM 1244 CA ILE A 81 4.932 2.820 -3.749 1.00 0.00 C ATOM 1245 C ILE A 81 5.054 4.330 -3.897 1.00 0.00 C ATOM 1246 O ILE A 81 6.033 4.922 -3.448 1.00 0.00 O ATOM 1247 CB ILE A 81 4.452 2.450 -2.349 1.00 0.00 C ATOM 1248 CG1 ILE A 81 4.224 0.943 -2.270 1.00 0.00 C ATOM 1249 CG2 ILE A 81 3.144 3.179 -2.051 1.00 0.00 C ATOM 1250 CD1 ILE A 81 3.051 0.559 -3.168 1.00 0.00 C ATOM 0 H ILE A 81 6.737 1.956 -3.155 1.00 0.00 H new ATOM 0 HA ILE A 81 4.202 2.462 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 81 5.206 2.742 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.123 0.411 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.020 0.649 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.800 2.915 -1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.306 4.255 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.390 2.888 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.887 -0.517 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.153 1.080 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.274 0.839 -4.197 1.00 0.00 H new ATOM 1262 N LEU A 82 4.057 4.953 -4.529 1.00 0.00 N ATOM 1263 CA LEU A 82 4.057 6.388 -4.733 1.00 0.00 C ATOM 1264 C LEU A 82 3.411 7.079 -3.541 1.00 0.00 C ATOM 1265 O LEU A 82 4.070 7.825 -2.821 1.00 0.00 O ATOM 1266 CB LEU A 82 3.309 6.718 -6.021 1.00 0.00 C ATOM 1267 CG LEU A 82 3.937 5.956 -7.184 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.551 6.626 -8.500 1.00 0.00 C ATOM 1269 CD2 LEU A 82 5.456 5.963 -7.036 1.00 0.00 C ATOM 0 H LEU A 82 3.239 4.476 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 82 5.083 6.746 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.257 6.450 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.348 7.790 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 82 3.576 4.927 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.000 6.082 -9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.466 6.621 -8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.911 7.655 -8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.905 5.419 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.817 6.991 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.732 5.484 -6.097 1.00 0.00 H new ATOM 1281 N SER A 83 2.116 6.828 -3.334 1.00 0.00 N ATOM 1282 CA SER A 83 1.389 7.425 -2.232 1.00 0.00 C ATOM 1283 C SER A 83 0.349 6.445 -1.707 1.00 0.00 C ATOM 1284 O SER A 83 0.101 5.411 -2.323 1.00 0.00 O ATOM 1285 CB SER A 83 0.726 8.717 -2.701 1.00 0.00 C ATOM 1286 OG SER A 83 0.276 9.447 -1.582 1.00 0.00 O ATOM 0 H SER A 83 1.555 6.212 -3.923 1.00 0.00 H new ATOM 0 HA SER A 83 2.079 7.659 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.434 9.313 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.111 8.490 -3.361 1.00 0.00 H new ATOM 0 HG SER A 83 -0.149 10.278 -1.882 1.00 0.00 H new ATOM 1292 N ILE A 84 -0.260 6.773 -0.565 1.00 0.00 N ATOM 1293 CA ILE A 84 -1.270 5.926 0.036 1.00 0.00 C ATOM 1294 C ILE A 84 -2.480 6.764 0.425 1.00 0.00 C ATOM 1295 O ILE A 84 -2.338 7.794 1.080 1.00 0.00 O ATOM 1296 CB ILE A 84 -0.682 5.223 1.256 1.00 0.00 C ATOM 1297 CG1 ILE A 84 0.174 4.044 0.802 1.00 0.00 C ATOM 1298 CG2 ILE A 84 -1.815 4.716 2.145 1.00 0.00 C ATOM 1299 CD1 ILE A 84 0.745 3.330 2.024 1.00 0.00 C ATOM 0 H ILE A 84 -0.063 7.626 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.592 5.171 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.065 5.925 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.425 3.352 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.983 4.394 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.396 4.214 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.427 5.558 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.432 4.014 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.357 2.488 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.359 4.025 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.072 2.967 2.648 1.00 0.00 H new ATOM 1311 N ARG A 85 -3.671 6.319 0.020 1.00 0.00 N ATOM 1312 CA ARG A 85 -4.897 7.029 0.326 1.00 0.00 C ATOM 1313 C ARG A 85 -5.846 6.114 1.088 1.00 0.00 C ATOM 1314 O ARG A 85 -6.078 4.978 0.679 1.00 0.00 O ATOM 1315 CB ARG A 85 -5.539 7.515 -0.969 1.00 0.00 C ATOM 1316 CG ARG A 85 -6.981 7.935 -0.696 1.00 0.00 C ATOM 1317 CD ARG A 85 -7.486 8.802 -1.846 1.00 0.00 C ATOM 1318 NE ARG A 85 -7.538 10.211 -1.459 1.00 0.00 N ATOM 1319 CZ ARG A 85 -7.530 11.210 -2.352 1.00 0.00 C ATOM 1320 NH1 ARG A 85 -7.475 10.937 -3.662 1.00 0.00 N ATOM 1321 NH2 ARG A 85 -7.579 12.483 -1.934 1.00 0.00 N ATOM 0 H ARG A 85 -3.804 5.466 -0.523 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.675 7.893 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.975 8.355 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.515 6.724 -1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.613 7.054 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.039 8.487 0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.832 8.683 -2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.478 8.468 -2.149 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.582 10.443 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.439 9.969 -3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.469 11.698 -4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.622 12.691 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.573 13.244 -2.614 1.00 0.00 H new ATOM 1335 N ILE A 86 -6.395 6.611 2.198 1.00 0.00 N ATOM 1336 CA ILE A 86 -7.316 5.841 3.010 1.00 0.00 C ATOM 1337 C ILE A 86 -8.694 6.487 2.979 1.00 0.00 C ATOM 1338 O ILE A 86 -8.813 7.705 3.095 1.00 0.00 O ATOM 1339 CB ILE A 86 -6.787 5.760 4.439 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -5.361 5.219 4.425 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -7.676 4.827 5.257 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -4.845 5.105 5.857 1.00 0.00 C ATOM 0 H ILE A 86 -6.211 7.550 2.550 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.402 4.830 2.611 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.793 6.754 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.336 4.243 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.716 5.880 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.299 4.768 6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.695 5.213 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.669 3.833 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.826 4.718 5.847 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.855 6.088 6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.485 4.427 6.421 1.00 0.00 H new ATOM 1354 N TYR A 87 -9.736 5.668 2.822 1.00 0.00 N ATOM 1355 CA TYR A 87 -11.097 6.165 2.775 1.00 0.00 C ATOM 1356 C TYR A 87 -11.636 6.327 4.190 1.00 0.00 C ATOM 1357 O TYR A 87 -12.539 7.127 4.424 1.00 0.00 O ATOM 1358 CB TYR A 87 -11.963 5.197 1.974 1.00 0.00 C ATOM 1359 CG TYR A 87 -11.781 5.321 0.480 1.00 0.00 C ATOM 1360 CD1 TYR A 87 -10.605 4.858 -0.123 1.00 0.00 C ATOM 1361 CD2 TYR A 87 -12.788 5.899 -0.302 1.00 0.00 C ATOM 1362 CE1 TYR A 87 -10.436 4.973 -1.508 1.00 0.00 C ATOM 1363 CE2 TYR A 87 -12.619 6.014 -1.687 1.00 0.00 C ATOM 1364 CZ TYR A 87 -11.443 5.552 -2.290 1.00 0.00 C ATOM 1365 OH TYR A 87 -11.279 5.664 -3.639 1.00 0.00 O ATOM 0 H TYR A 87 -9.654 4.656 2.726 1.00 0.00 H new ATOM 0 HA TYR A 87 -11.116 7.139 2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -11.729 4.176 2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -13.011 5.370 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.828 4.412 0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -13.695 6.256 0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.529 4.615 -1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.396 6.459 -2.290 1.00 0.00 H new ATOM 0 HH TYR A 87 -10.460 5.198 -3.909 1.00 0.00 H new