USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 534 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 Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -112:sc= 2 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.45 F(o=-2.1,f=-1.5) USER MOD Single : A 35 CYS SG : rot -150:sc= -0.33 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0529 K(o=-0.053,f=-1.4) USER MOD Single : A 46 CYS SG : rot 8:sc= -3.34 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.18 K(o=-2.2,f=-6.6!) USER MOD Single : A 49 TYR OH : rot 137:sc= 0.151 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -1.02! C(o=-1!,f=-4.2!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 39:sc= 0.444 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= 0.0241 (180deg=0.0177) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 0.00749 (180deg=-0.07) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -1.79! (180deg=-2.33!) USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 18 9.729 0.291 1.099 1.00 0.00 N ATOM 194 CA ARG A 18 8.507 0.998 0.737 1.00 0.00 C ATOM 195 C ARG A 18 8.528 1.402 -0.735 1.00 0.00 C ATOM 196 O ARG A 18 9.414 2.135 -1.174 1.00 0.00 O ATOM 197 CB ARG A 18 8.331 2.239 1.614 1.00 0.00 C ATOM 198 CG ARG A 18 8.330 1.936 3.104 1.00 0.00 C ATOM 199 CD ARG A 18 7.087 1.162 3.515 1.00 0.00 C ATOM 200 NE ARG A 18 5.979 2.049 3.859 1.00 0.00 N ATOM 201 CZ ARG A 18 5.822 2.597 5.059 1.00 0.00 C ATOM 202 NH1 ARG A 18 6.697 2.350 6.024 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.788 3.394 5.295 1.00 0.00 N ATOM 0 HA ARG A 18 7.666 0.324 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.133 2.945 1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.394 2.730 1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.219 1.360 3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.381 2.869 3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.785 0.503 2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.321 0.527 4.369 1.00 0.00 H new ATOM 0 HE ARG A 18 5.288 2.259 3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.493 1.738 5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.574 2.772 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.113 3.586 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.668 3.814 6.217 1.00 0.00 H new ATOM 217 N GLU A 19 7.547 0.918 -1.490 1.00 0.00 N ATOM 218 CA GLU A 19 7.455 1.228 -2.912 1.00 0.00 C ATOM 219 C GLU A 19 6.379 2.279 -3.171 1.00 0.00 C ATOM 220 O GLU A 19 5.430 2.418 -2.399 1.00 0.00 O ATOM 221 CB GLU A 19 7.149 -0.039 -3.714 1.00 0.00 C ATOM 222 CG GLU A 19 8.131 -1.171 -3.461 1.00 0.00 C ATOM 223 CD GLU A 19 9.379 -1.062 -4.316 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.781 0.075 -4.638 1.00 0.00 O ATOM 225 OE2 GLU A 19 9.954 -2.116 -4.661 1.00 0.00 O ATOM 0 H GLU A 19 6.806 0.310 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 19 8.416 1.630 -3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.143 -0.380 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.153 0.204 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.415 -1.172 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.641 -2.124 -3.660 1.00 0.00 H new ATOM 232 N THR A 20 6.534 3.019 -4.265 1.00 0.00 N ATOM 233 CA THR A 20 5.579 4.058 -4.626 1.00 0.00 C ATOM 234 C THR A 20 4.963 3.788 -5.994 1.00 0.00 C ATOM 235 O THR A 20 5.639 3.315 -6.907 1.00 0.00 O ATOM 236 CB THR A 20 6.241 5.449 -4.640 1.00 0.00 C ATOM 237 OG1 THR A 20 7.183 5.533 -5.715 1.00 0.00 O ATOM 238 CG2 THR A 20 6.944 5.727 -3.320 1.00 0.00 C ATOM 0 H THR A 20 7.313 2.917 -4.916 1.00 0.00 H new ATOM 0 HA THR A 20 4.795 4.044 -3.868 1.00 0.00 H new ATOM 0 HB THR A 20 5.461 6.197 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.598 6.421 -5.718 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.404 6.715 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.219 5.692 -2.507 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.714 4.974 -3.152 1.00 0.00 H new ATOM 246 N GLY A 21 3.676 4.092 -6.130 1.00 0.00 N ATOM 247 CA GLY A 21 2.991 3.875 -7.390 1.00 0.00 C ATOM 248 C GLY A 21 1.850 4.849 -7.605 1.00 0.00 C ATOM 249 O GLY A 21 1.990 6.046 -7.355 1.00 0.00 O ATOM 0 H GLY A 21 3.095 4.485 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.704 3.969 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.605 2.856 -7.419 1.00 0.00 H new ATOM 253 N VAL A 22 0.716 4.336 -8.072 1.00 0.00 N ATOM 254 CA VAL A 22 -0.455 5.169 -8.322 1.00 0.00 C ATOM 255 C VAL A 22 -1.743 4.369 -8.164 1.00 0.00 C ATOM 256 O VAL A 22 -1.787 3.178 -8.475 1.00 0.00 O ATOM 257 CB VAL A 22 -0.415 5.784 -9.734 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.675 4.718 -10.788 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.424 6.917 -9.849 1.00 0.00 C ATOM 0 H VAL A 22 0.583 3.347 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.436 5.971 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 22 0.580 6.195 -9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.643 5.171 -11.779 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.089 3.943 -10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.657 4.275 -10.623 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.383 7.340 -10.853 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.426 6.533 -9.658 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.187 7.691 -9.119 1.00 0.00 H new ATOM 269 N ILE A 23 -2.788 5.030 -7.679 1.00 0.00 N ATOM 270 CA ILE A 23 -4.078 4.381 -7.481 1.00 0.00 C ATOM 271 C ILE A 23 -4.839 4.258 -8.797 1.00 0.00 C ATOM 272 O ILE A 23 -5.518 5.192 -9.221 1.00 0.00 O ATOM 273 CB ILE A 23 -4.946 5.150 -6.468 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.218 5.272 -5.128 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.288 4.458 -6.288 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.222 3.993 -4.320 1.00 0.00 C ATOM 0 H ILE A 23 -2.767 6.015 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.873 3.385 -7.088 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.126 6.153 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.187 5.574 -5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.683 6.064 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.890 5.013 -5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.809 4.420 -7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.128 3.444 -5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.689 4.153 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.250 3.701 -4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.730 3.203 -4.887 1.00 0.00 H new ATOM 288 N GLU A 24 -4.722 3.098 -9.436 1.00 0.00 N ATOM 289 CA GLU A 24 -5.400 2.853 -10.703 1.00 0.00 C ATOM 290 C GLU A 24 -6.904 2.705 -10.495 1.00 0.00 C ATOM 291 O GLU A 24 -7.705 3.292 -11.224 1.00 0.00 O ATOM 292 CB GLU A 24 -4.840 1.596 -11.372 1.00 0.00 C ATOM 293 CG GLU A 24 -5.048 1.563 -12.877 1.00 0.00 C ATOM 294 CD GLU A 24 -4.461 2.775 -13.573 1.00 0.00 C ATOM 295 OE1 GLU A 24 -3.235 2.985 -13.467 1.00 0.00 O ATOM 296 OE2 GLU A 24 -5.228 3.514 -14.225 1.00 0.00 O ATOM 0 H GLU A 24 -4.164 2.314 -9.097 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.223 3.710 -11.352 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.773 1.526 -11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.311 0.718 -10.929 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.593 0.660 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.115 1.507 -13.091 1.00 0.00 H new ATOM 303 N LYS A 25 -7.283 1.917 -9.495 1.00 0.00 N ATOM 304 CA LYS A 25 -8.690 1.690 -9.188 1.00 0.00 C ATOM 305 C LYS A 25 -8.938 1.762 -7.685 1.00 0.00 C ATOM 306 O LYS A 25 -8.034 1.516 -6.884 1.00 0.00 O ATOM 307 CB LYS A 25 -9.138 0.329 -9.726 1.00 0.00 C ATOM 308 CG LYS A 25 -10.582 0.306 -10.196 1.00 0.00 C ATOM 309 CD LYS A 25 -11.520 -0.160 -9.095 1.00 0.00 C ATOM 310 CE LYS A 25 -12.974 0.101 -9.455 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.437 -0.775 -10.566 1.00 0.00 N ATOM 0 H LYS A 25 -6.634 1.424 -8.882 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.272 2.474 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.490 0.044 -10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.006 -0.422 -8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.874 1.303 -10.526 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.674 -0.355 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.374 -1.225 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.276 0.355 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.600 -0.063 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.095 1.146 -9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.433 -0.566 -10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.856 -0.600 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.346 -1.772 -10.283 1.00 0.00 H new ATOM 325 N LEU A 26 -10.166 2.098 -7.308 1.00 0.00 N ATOM 326 CA LEU A 26 -10.533 2.199 -5.900 1.00 0.00 C ATOM 327 C LEU A 26 -11.981 1.772 -5.682 1.00 0.00 C ATOM 328 O LEU A 26 -12.872 2.148 -6.444 1.00 0.00 O ATOM 329 CB LEU A 26 -10.332 3.632 -5.402 1.00 0.00 C ATOM 330 CG LEU A 26 -10.166 3.801 -3.891 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.708 3.632 -3.492 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.690 5.158 -3.446 1.00 0.00 C ATOM 0 H LEU A 26 -10.925 2.305 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.887 1.529 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.451 4.045 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.185 4.230 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.749 3.028 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.609 3.756 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.366 2.637 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.102 4.382 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.564 5.261 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.135 5.947 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.748 5.240 -3.697 1.00 0.00 H new ATOM 344 N LEU A 27 -12.209 0.985 -4.636 1.00 0.00 N ATOM 345 CA LEU A 27 -13.550 0.508 -4.316 1.00 0.00 C ATOM 346 C LEU A 27 -13.903 0.808 -2.863 1.00 0.00 C ATOM 347 O LEU A 27 -13.136 1.453 -2.146 1.00 0.00 O ATOM 348 CB LEU A 27 -13.653 -0.996 -4.577 1.00 0.00 C ATOM 349 CG LEU A 27 -13.211 -1.469 -5.962 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.707 -1.694 -5.994 1.00 0.00 C ATOM 351 CD2 LEU A 27 -13.951 -2.740 -6.353 1.00 0.00 C ATOM 0 H LEU A 27 -11.483 0.664 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.258 1.032 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.054 -1.516 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.688 -1.301 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.457 -0.692 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.410 -2.030 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.194 -0.761 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.437 -2.452 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.624 -3.062 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.737 -3.524 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.023 -2.546 -6.371 1.00 0.00 H new ATOM 363 N THR A 28 -15.068 0.335 -2.431 1.00 0.00 N ATOM 364 CA THR A 28 -15.522 0.553 -1.064 1.00 0.00 C ATOM 365 C THR A 28 -14.863 -0.430 -0.103 1.00 0.00 C ATOM 366 O THR A 28 -14.721 -0.149 1.087 1.00 0.00 O ATOM 367 CB THR A 28 -17.052 0.414 -0.951 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.692 1.238 -1.933 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.530 0.809 0.438 1.00 0.00 C ATOM 0 H THR A 28 -15.714 -0.202 -3.009 1.00 0.00 H new ATOM 0 HA THR A 28 -15.236 1.570 -0.794 1.00 0.00 H new ATOM 0 HB THR A 28 -17.314 -0.630 -1.125 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.664 1.143 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.613 0.703 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.063 0.162 1.181 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.256 1.845 0.636 1.00 0.00 H new ATOM 377 N SER A 29 -14.460 -1.583 -0.627 1.00 0.00 N ATOM 378 CA SER A 29 -13.817 -2.610 0.185 1.00 0.00 C ATOM 379 C SER A 29 -12.298 -2.509 0.086 1.00 0.00 C ATOM 380 O SER A 29 -11.586 -2.711 1.070 1.00 0.00 O ATOM 381 CB SER A 29 -14.278 -4.001 -0.254 1.00 0.00 C ATOM 382 OG SER A 29 -13.486 -5.013 0.344 1.00 0.00 O ATOM 0 H SER A 29 -14.567 -1.830 -1.611 1.00 0.00 H new ATOM 0 HA SER A 29 -14.107 -2.451 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.323 -4.144 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.218 -4.082 -1.339 1.00 0.00 H new ATOM 0 HG SER A 29 -12.947 -5.456 -0.344 1.00 0.00 H new ATOM 388 N TYR A 30 -11.809 -2.196 -1.109 1.00 0.00 N ATOM 389 CA TYR A 30 -10.375 -2.071 -1.339 1.00 0.00 C ATOM 390 C TYR A 30 -10.095 -1.319 -2.637 1.00 0.00 C ATOM 391 O TYR A 30 -11.014 -0.847 -3.305 1.00 0.00 O ATOM 392 CB TYR A 30 -9.723 -3.454 -1.388 1.00 0.00 C ATOM 393 CG TYR A 30 -10.600 -4.516 -2.012 1.00 0.00 C ATOM 394 CD1 TYR A 30 -10.998 -4.422 -3.340 1.00 0.00 C ATOM 395 CD2 TYR A 30 -11.030 -5.612 -1.275 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.800 -5.389 -3.915 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.831 -6.584 -1.842 1.00 0.00 C ATOM 398 CZ TYR A 30 -12.213 -6.469 -3.162 1.00 0.00 C ATOM 399 OH TYR A 30 -13.012 -7.435 -3.730 1.00 0.00 O ATOM 0 H TYR A 30 -12.385 -2.024 -1.933 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.948 -1.504 -0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.792 -3.387 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.462 -3.759 -0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.675 -3.579 -3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.733 -5.706 -0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.102 -5.300 -4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.156 -7.430 -1.255 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.212 -8.127 -3.065 1.00 0.00 H new ATOM 409 N GLY A 31 -8.817 -1.212 -2.987 1.00 0.00 N ATOM 410 CA GLY A 31 -8.437 -0.517 -4.203 1.00 0.00 C ATOM 411 C GLY A 31 -7.162 -1.067 -4.811 1.00 0.00 C ATOM 412 O GLY A 31 -6.400 -1.767 -4.145 1.00 0.00 O ATOM 0 H GLY A 31 -8.038 -1.594 -2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.245 -0.595 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.304 0.543 -3.986 1.00 0.00 H new ATOM 416 N PHE A 32 -6.929 -0.750 -6.081 1.00 0.00 N ATOM 417 CA PHE A 32 -5.739 -1.220 -6.779 1.00 0.00 C ATOM 418 C PHE A 32 -4.733 -0.087 -6.963 1.00 0.00 C ATOM 419 O PHE A 32 -5.111 1.080 -7.071 1.00 0.00 O ATOM 420 CB PHE A 32 -6.118 -1.806 -8.141 1.00 0.00 C ATOM 421 CG PHE A 32 -7.005 -3.015 -8.047 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.335 -2.888 -7.680 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.508 -4.278 -8.327 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.152 -3.999 -7.592 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.321 -5.392 -8.241 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.645 -5.252 -7.874 1.00 0.00 C ATOM 0 H PHE A 32 -7.549 -0.170 -6.647 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.277 -1.998 -6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.623 -1.040 -8.730 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.208 -2.073 -8.679 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.738 -1.910 -7.460 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.474 -4.393 -8.616 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.187 -3.887 -7.303 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.921 -6.371 -8.461 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.283 -6.121 -7.808 1.00 0.00 H new ATOM 436 N ILE A 33 -3.453 -0.440 -6.998 1.00 0.00 N ATOM 437 CA ILE A 33 -2.394 0.547 -7.169 1.00 0.00 C ATOM 438 C ILE A 33 -1.434 0.136 -8.280 1.00 0.00 C ATOM 439 O ILE A 33 -0.714 -0.855 -8.157 1.00 0.00 O ATOM 440 CB ILE A 33 -1.597 0.749 -5.867 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.477 1.403 -4.800 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.358 1.593 -6.129 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.059 1.072 -3.385 1.00 0.00 C ATOM 0 H ILE A 33 -3.124 -1.401 -6.910 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.878 1.486 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.278 -0.226 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.453 2.484 -4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.509 1.087 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.195 1.727 -5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.277 1.091 -6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.657 2.567 -6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.727 1.570 -2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.111 -0.006 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.037 1.413 -3.218 1.00 0.00 H new ATOM 455 N GLN A 34 -1.429 0.905 -9.364 1.00 0.00 N ATOM 456 CA GLN A 34 -0.556 0.621 -10.498 1.00 0.00 C ATOM 457 C GLN A 34 0.875 1.059 -10.206 1.00 0.00 C ATOM 458 O GLN A 34 1.199 2.245 -10.283 1.00 0.00 O ATOM 459 CB GLN A 34 -1.072 1.324 -11.754 1.00 0.00 C ATOM 460 CG GLN A 34 -0.141 1.195 -12.949 1.00 0.00 C ATOM 461 CD GLN A 34 -0.494 0.021 -13.840 1.00 0.00 C ATOM 462 OE1 GLN A 34 0.204 -1.093 -13.657 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -1.385 0.115 -14.685 1.00 0.00 N flip ATOM 0 H GLN A 34 -2.019 1.729 -9.481 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.559 -0.456 -10.666 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.046 0.912 -12.017 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.222 2.381 -11.533 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.178 2.114 -13.534 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.884 1.083 -12.596 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.896 0.991 -14.792 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.612 -0.683 -15.278 1.00 0.00 H new ATOM 472 N CYS A 35 1.727 0.096 -9.870 1.00 0.00 N ATOM 473 CA CYS A 35 3.124 0.383 -9.566 1.00 0.00 C ATOM 474 C CYS A 35 3.780 1.160 -10.702 1.00 0.00 C ATOM 475 O CYS A 35 3.435 0.981 -11.870 1.00 0.00 O ATOM 476 CB CYS A 35 3.889 -0.916 -9.312 1.00 0.00 C ATOM 477 SG CYS A 35 3.772 -1.523 -7.613 1.00 0.00 S ATOM 0 H CYS A 35 1.474 -0.890 -9.801 1.00 0.00 H new ATOM 0 HA CYS A 35 3.155 0.997 -8.666 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.513 -1.684 -9.987 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.939 -0.761 -9.559 1.00 0.00 H new ATOM 0 HG CYS A 35 4.854 -2.176 -7.310 1.00 0.00 H new ATOM 483 N SER A 36 4.725 2.026 -10.352 1.00 0.00 N ATOM 484 CA SER A 36 5.426 2.836 -11.342 1.00 0.00 C ATOM 485 C SER A 36 6.883 2.402 -11.465 1.00 0.00 C ATOM 486 O SER A 36 7.622 2.907 -12.310 1.00 0.00 O ATOM 487 CB SER A 36 5.353 4.317 -10.965 1.00 0.00 C ATOM 488 OG SER A 36 4.070 4.852 -11.244 1.00 0.00 O ATOM 0 H SER A 36 5.023 2.185 -9.390 1.00 0.00 H new ATOM 0 HA SER A 36 4.939 2.690 -12.306 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.578 4.437 -9.905 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.110 4.874 -11.517 1.00 0.00 H new ATOM 0 HG SER A 36 4.049 5.799 -10.993 1.00 0.00 H new ATOM 494 N GLU A 37 7.289 1.464 -10.616 1.00 0.00 N ATOM 495 CA GLU A 37 8.658 0.962 -10.629 1.00 0.00 C ATOM 496 C GLU A 37 8.726 -0.417 -11.278 1.00 0.00 C ATOM 497 O GLU A 37 9.638 -0.705 -12.054 1.00 0.00 O ATOM 498 CB GLU A 37 9.214 0.896 -9.205 1.00 0.00 C ATOM 499 CG GLU A 37 9.433 2.261 -8.573 1.00 0.00 C ATOM 500 CD GLU A 37 10.847 2.772 -8.763 1.00 0.00 C ATOM 501 OE1 GLU A 37 11.765 1.939 -8.914 1.00 0.00 O ATOM 502 OE2 GLU A 37 11.037 4.007 -8.760 1.00 0.00 O ATOM 0 H GLU A 37 6.690 1.036 -9.910 1.00 0.00 H new ATOM 0 HA GLU A 37 9.265 1.651 -11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.527 0.323 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.160 0.355 -9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.732 2.974 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.212 2.203 -7.507 1.00 0.00 H new ATOM 509 N ARG A 38 7.756 -1.265 -10.954 1.00 0.00 N ATOM 510 CA ARG A 38 7.706 -2.615 -11.503 1.00 0.00 C ATOM 511 C ARG A 38 6.705 -2.698 -12.652 1.00 0.00 C ATOM 512 O ARG A 38 6.655 -3.694 -13.373 1.00 0.00 O ATOM 513 CB ARG A 38 7.330 -3.619 -10.412 1.00 0.00 C ATOM 514 CG ARG A 38 5.967 -3.363 -9.792 1.00 0.00 C ATOM 515 CD ARG A 38 5.593 -4.452 -8.799 1.00 0.00 C ATOM 516 NE ARG A 38 6.490 -4.474 -7.647 1.00 0.00 N ATOM 517 CZ ARG A 38 6.601 -5.509 -6.822 1.00 0.00 C ATOM 518 NH1 ARG A 38 5.876 -6.601 -7.021 1.00 0.00 N ATOM 519 NH2 ARG A 38 7.440 -5.454 -5.795 1.00 0.00 N ATOM 0 H ARG A 38 6.994 -1.041 -10.314 1.00 0.00 H new ATOM 0 HA ARG A 38 8.696 -2.860 -11.887 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.345 -4.624 -10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.087 -3.591 -9.628 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.971 -2.396 -9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.213 -3.311 -10.577 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.569 -4.296 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.619 -5.421 -9.297 1.00 0.00 H new ATOM 0 HE ARG A 38 7.063 -3.650 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.231 -6.648 -7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.964 -7.394 -6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.000 -4.616 -5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.524 -6.249 -5.162 1.00 0.00 H new ATOM 533 N GLN A 39 5.910 -1.645 -12.815 1.00 0.00 N ATOM 534 CA GLN A 39 4.910 -1.600 -13.875 1.00 0.00 C ATOM 535 C GLN A 39 3.915 -2.748 -13.734 1.00 0.00 C ATOM 536 O GLN A 39 3.634 -3.460 -14.697 1.00 0.00 O ATOM 537 CB GLN A 39 5.586 -1.661 -15.245 1.00 0.00 C ATOM 538 CG GLN A 39 5.960 -0.296 -15.800 1.00 0.00 C ATOM 539 CD GLN A 39 6.726 -0.386 -17.105 1.00 0.00 C ATOM 540 OE1 GLN A 39 6.169 -0.173 -18.182 1.00 0.00 O ATOM 541 NE2 GLN A 39 8.013 -0.703 -17.016 1.00 0.00 N ATOM 0 H GLN A 39 5.939 -0.812 -12.227 1.00 0.00 H new ATOM 0 HA GLN A 39 4.366 -0.659 -13.787 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.485 -2.272 -15.170 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.919 -2.160 -15.948 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.054 0.290 -15.955 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.563 0.238 -15.065 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.435 -0.871 -16.103 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.579 -0.778 -17.861 1.00 0.00 H new ATOM 550 N ALA A 40 3.387 -2.922 -12.527 1.00 0.00 N ATOM 551 CA ALA A 40 2.423 -3.982 -12.260 1.00 0.00 C ATOM 552 C ALA A 40 1.275 -3.475 -11.394 1.00 0.00 C ATOM 553 O ALA A 40 1.491 -2.759 -10.417 1.00 0.00 O ATOM 554 CB ALA A 40 3.109 -5.164 -11.592 1.00 0.00 C ATOM 0 H ALA A 40 3.611 -2.342 -11.718 1.00 0.00 H new ATOM 0 HA ALA A 40 2.007 -4.309 -13.213 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.377 -5.948 -11.399 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.889 -5.550 -12.248 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.553 -4.842 -10.650 1.00 0.00 H new ATOM 560 N ARG A 41 0.053 -3.850 -11.760 1.00 0.00 N ATOM 561 CA ARG A 41 -1.129 -3.432 -11.017 1.00 0.00 C ATOM 562 C ARG A 41 -1.241 -4.193 -9.700 1.00 0.00 C ATOM 563 O ARG A 41 -1.612 -5.368 -9.678 1.00 0.00 O ATOM 564 CB ARG A 41 -2.389 -3.654 -11.856 1.00 0.00 C ATOM 565 CG ARG A 41 -2.770 -2.457 -12.712 1.00 0.00 C ATOM 566 CD ARG A 41 -3.516 -2.885 -13.966 1.00 0.00 C ATOM 567 NE ARG A 41 -2.654 -3.607 -14.897 1.00 0.00 N ATOM 568 CZ ARG A 41 -2.882 -3.681 -16.204 1.00 0.00 C ATOM 569 NH1 ARG A 41 -3.939 -3.079 -16.731 1.00 0.00 N ATOM 570 NH2 ARG A 41 -2.051 -4.358 -16.986 1.00 0.00 N ATOM 0 H ARG A 41 -0.144 -4.443 -12.567 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.031 -2.369 -10.795 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.237 -4.518 -12.502 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.220 -3.894 -11.192 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.392 -1.776 -12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.871 -1.907 -12.992 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.359 -3.518 -13.688 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.927 -2.005 -14.461 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.831 -4.081 -14.524 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.580 -2.557 -16.133 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.112 -3.137 -17.735 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.237 -4.822 -16.584 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.227 -4.414 -17.989 1.00 0.00 H new ATOM 584 N LEU A 42 -0.918 -3.517 -8.603 1.00 0.00 N ATOM 585 CA LEU A 42 -0.982 -4.130 -7.280 1.00 0.00 C ATOM 586 C LEU A 42 -2.381 -4.002 -6.688 1.00 0.00 C ATOM 587 O LEU A 42 -3.176 -3.166 -7.119 1.00 0.00 O ATOM 588 CB LEU A 42 0.041 -3.480 -6.346 1.00 0.00 C ATOM 589 CG LEU A 42 1.445 -4.085 -6.364 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.288 -3.513 -5.235 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.375 -5.601 -6.264 1.00 0.00 C ATOM 0 H LEU A 42 -0.609 -2.545 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.748 -5.189 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.119 -2.424 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.342 -3.532 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 42 1.918 -3.825 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.284 -3.956 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.368 -2.432 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.818 -3.741 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.384 -6.014 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.881 -5.882 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.810 -5.996 -7.108 1.00 0.00 H new ATOM 603 N PHE A 43 -2.677 -4.835 -5.696 1.00 0.00 N ATOM 604 CA PHE A 43 -3.980 -4.815 -5.042 1.00 0.00 C ATOM 605 C PHE A 43 -3.842 -4.471 -3.562 1.00 0.00 C ATOM 606 O PHE A 43 -3.389 -5.291 -2.763 1.00 0.00 O ATOM 607 CB PHE A 43 -4.675 -6.169 -5.201 1.00 0.00 C ATOM 608 CG PHE A 43 -5.564 -6.526 -4.044 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.415 -5.582 -3.491 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.549 -7.804 -3.510 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.233 -5.908 -2.426 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.365 -8.135 -2.445 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.209 -7.186 -1.903 1.00 0.00 C ATOM 0 H PHE A 43 -2.031 -5.533 -5.327 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.586 -4.045 -5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.268 -6.159 -6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.919 -6.945 -5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.439 -4.581 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.892 -8.551 -3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.891 -5.163 -2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.343 -9.135 -2.037 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.849 -7.443 -1.072 1.00 0.00 H new ATOM 623 N PHE A 44 -4.234 -3.253 -3.204 1.00 0.00 N ATOM 624 CA PHE A 44 -4.153 -2.800 -1.821 1.00 0.00 C ATOM 625 C PHE A 44 -5.522 -2.854 -1.149 1.00 0.00 C ATOM 626 O PHE A 44 -6.541 -2.537 -1.764 1.00 0.00 O ATOM 627 CB PHE A 44 -3.599 -1.375 -1.761 1.00 0.00 C ATOM 628 CG PHE A 44 -4.663 -0.316 -1.800 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.122 0.179 -3.010 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.204 0.185 -0.627 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.102 1.154 -3.049 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.184 1.159 -0.660 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.632 1.645 -1.873 1.00 0.00 C ATOM 0 H PHE A 44 -4.611 -2.562 -3.853 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.479 -3.468 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.015 -1.259 -0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.916 -1.224 -2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.710 -0.201 -3.933 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.856 -0.190 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.452 1.531 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.599 1.540 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.396 2.408 -1.901 1.00 0.00 H new ATOM 643 N HIS A 45 -5.538 -3.258 0.117 1.00 0.00 N ATOM 644 CA HIS A 45 -6.781 -3.354 0.874 1.00 0.00 C ATOM 645 C HIS A 45 -7.028 -2.081 1.678 1.00 0.00 C ATOM 646 O HIS A 45 -6.100 -1.508 2.250 1.00 0.00 O ATOM 647 CB HIS A 45 -6.742 -4.562 1.809 1.00 0.00 C ATOM 648 CG HIS A 45 -8.068 -5.241 1.966 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.235 -4.559 2.237 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.408 -6.549 1.888 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.235 -5.418 2.320 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.760 -6.633 2.112 1.00 0.00 N ATOM 0 H HIS A 45 -4.704 -3.524 0.640 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.600 -3.479 0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.017 -5.282 1.429 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.389 -4.241 2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.740 -7.373 1.687 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.266 -5.169 2.523 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.308 -7.493 2.117 1.00 0.00 H new ATOM 661 N CYS A 46 -8.282 -1.644 1.716 1.00 0.00 N ATOM 662 CA CYS A 46 -8.649 -0.438 2.449 1.00 0.00 C ATOM 663 C CYS A 46 -8.128 -0.492 3.882 1.00 0.00 C ATOM 664 O CYS A 46 -7.987 0.538 4.541 1.00 0.00 O ATOM 665 CB CYS A 46 -10.168 -0.262 2.453 1.00 0.00 C ATOM 666 SG CYS A 46 -10.832 0.455 0.932 1.00 0.00 S ATOM 0 H CYS A 46 -9.061 -2.107 1.248 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.192 0.415 1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.635 -1.233 2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.447 0.373 3.294 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.888 0.535 0.042 1.00 0.00 H new ATOM 672 N SER A 47 -7.845 -1.701 4.358 1.00 0.00 N ATOM 673 CA SER A 47 -7.344 -1.890 5.714 1.00 0.00 C ATOM 674 C SER A 47 -5.878 -1.482 5.814 1.00 0.00 C ATOM 675 O SER A 47 -5.427 -0.996 6.851 1.00 0.00 O ATOM 676 CB SER A 47 -7.510 -3.349 6.142 1.00 0.00 C ATOM 677 OG SER A 47 -6.959 -3.569 7.430 1.00 0.00 O ATOM 0 H SER A 47 -7.954 -2.564 3.825 1.00 0.00 H new ATOM 0 HA SER A 47 -7.925 -1.254 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.568 -3.612 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.022 -4.001 5.418 1.00 0.00 H new ATOM 0 HG SER A 47 -7.079 -4.509 7.681 1.00 0.00 H new ATOM 683 N GLN A 48 -5.139 -1.684 4.728 1.00 0.00 N ATOM 684 CA GLN A 48 -3.723 -1.338 4.692 1.00 0.00 C ATOM 685 C GLN A 48 -3.521 0.156 4.923 1.00 0.00 C ATOM 686 O GLN A 48 -2.759 0.562 5.800 1.00 0.00 O ATOM 687 CB GLN A 48 -3.109 -1.747 3.352 1.00 0.00 C ATOM 688 CG GLN A 48 -3.393 -3.190 2.968 1.00 0.00 C ATOM 689 CD GLN A 48 -3.032 -4.169 4.067 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.978 -4.055 4.694 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.906 -5.138 4.309 1.00 0.00 N ATOM 0 H GLN A 48 -5.497 -2.085 3.861 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.222 -1.882 5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.491 -1.090 2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.030 -1.597 3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.450 -3.296 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.833 -3.439 2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.767 -5.195 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.716 -5.825 5.038 1.00 0.00 H new ATOM 700 N TYR A 49 -4.209 0.970 4.130 1.00 0.00 N ATOM 701 CA TYR A 49 -4.103 2.419 4.245 1.00 0.00 C ATOM 702 C TYR A 49 -4.337 2.870 5.684 1.00 0.00 C ATOM 703 O TYR A 49 -5.399 2.630 6.256 1.00 0.00 O ATOM 704 CB TYR A 49 -5.110 3.101 3.316 1.00 0.00 C ATOM 705 CG TYR A 49 -4.984 4.607 3.289 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.739 5.221 3.314 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.113 5.417 3.236 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.620 6.597 3.289 1.00 0.00 C ATOM 709 CE2 TYR A 49 -6.004 6.794 3.210 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.755 7.379 3.238 1.00 0.00 C ATOM 711 OH TYR A 49 -4.641 8.750 3.212 1.00 0.00 O ATOM 0 H TYR A 49 -4.846 0.650 3.400 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.094 2.708 3.952 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.978 2.715 2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.119 2.835 3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.848 4.612 3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.092 4.962 3.215 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.644 7.058 3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.891 7.409 3.168 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.267 9.118 2.554 1.00 0.00 H new ATOM 721 N ASN A 50 -3.336 3.525 6.262 1.00 0.00 N ATOM 722 CA ASN A 50 -3.431 4.009 7.634 1.00 0.00 C ATOM 723 C ASN A 50 -4.334 5.236 7.717 1.00 0.00 C ATOM 724 O ASN A 50 -5.094 5.398 8.670 1.00 0.00 O ATOM 725 CB ASN A 50 -2.040 4.349 8.175 1.00 0.00 C ATOM 726 CG ASN A 50 -1.291 3.120 8.654 1.00 0.00 C ATOM 727 OD1 ASN A 50 -1.263 2.822 9.848 1.00 0.00 O ATOM 728 ND2 ASN A 50 -0.677 2.401 7.721 1.00 0.00 N ATOM 0 H ASN A 50 -2.450 3.733 5.802 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.867 3.217 8.242 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.461 4.844 7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.136 5.057 8.998 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.156 1.564 7.983 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.727 2.686 6.743 1.00 0.00 H new ATOM 735 N GLY A 51 -4.244 6.099 6.709 1.00 0.00 N ATOM 736 CA GLY A 51 -5.058 7.300 6.686 1.00 0.00 C ATOM 737 C GLY A 51 -6.540 6.994 6.602 1.00 0.00 C ATOM 738 O GLY A 51 -7.020 6.041 7.215 1.00 0.00 O ATOM 0 H GLY A 51 -3.622 5.987 5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.861 7.886 7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.768 7.915 5.834 1.00 0.00 H new ATOM 742 N ASN A 52 -7.269 7.806 5.843 1.00 0.00 N ATOM 743 CA ASN A 52 -8.706 7.619 5.683 1.00 0.00 C ATOM 744 C ASN A 52 -9.081 7.516 4.208 1.00 0.00 C ATOM 745 O ASN A 52 -8.961 8.485 3.457 1.00 0.00 O ATOM 746 CB ASN A 52 -9.468 8.775 6.335 1.00 0.00 C ATOM 747 CG ASN A 52 -8.747 10.101 6.183 1.00 0.00 C ATOM 748 OD1 ASN A 52 -7.560 10.213 6.489 1.00 0.00 O ATOM 749 ND2 ASN A 52 -9.464 11.112 5.708 1.00 0.00 N ATOM 0 H ASN A 52 -6.888 8.600 5.329 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.982 6.687 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.460 8.850 5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.610 8.561 7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.034 12.028 5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.445 10.973 5.468 1.00 0.00 H new ATOM 756 N LEU A 53 -9.535 6.336 3.800 1.00 0.00 N ATOM 757 CA LEU A 53 -9.929 6.106 2.414 1.00 0.00 C ATOM 758 C LEU A 53 -10.584 7.348 1.820 1.00 0.00 C ATOM 759 O LEU A 53 -10.365 7.680 0.655 1.00 0.00 O ATOM 760 CB LEU A 53 -10.889 4.918 2.327 1.00 0.00 C ATOM 761 CG LEU A 53 -10.246 3.552 2.079 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.493 3.548 0.758 1.00 0.00 C ATOM 763 CD2 LEU A 53 -9.316 3.185 3.226 1.00 0.00 C ATOM 0 H LEU A 53 -9.639 5.524 4.409 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.030 5.883 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.457 4.867 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.603 5.112 1.527 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.037 2.804 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.043 2.568 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.185 3.766 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.711 4.307 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.867 2.211 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.530 3.936 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.883 3.146 4.156 1.00 0.00 H new ATOM 775 N GLN A 54 -11.387 8.032 2.630 1.00 0.00 N ATOM 776 CA GLN A 54 -12.072 9.239 2.184 1.00 0.00 C ATOM 777 C GLN A 54 -11.107 10.182 1.473 1.00 0.00 C ATOM 778 O GLN A 54 -11.395 10.675 0.383 1.00 0.00 O ATOM 779 CB GLN A 54 -12.719 9.952 3.372 1.00 0.00 C ATOM 780 CG GLN A 54 -13.798 9.132 4.061 1.00 0.00 C ATOM 781 CD GLN A 54 -14.096 9.621 5.464 1.00 0.00 C ATOM 782 OE1 GLN A 54 -13.199 9.730 6.300 1.00 0.00 O ATOM 783 NE2 GLN A 54 -15.363 9.918 5.731 1.00 0.00 N ATOM 0 H GLN A 54 -11.579 7.771 3.597 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.849 8.945 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.946 10.204 4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.152 10.892 3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.711 9.167 3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.485 8.089 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -16.075 9.813 5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.624 10.251 6.659 1.00 0.00 H new ATOM 792 N ASP A 55 -9.962 10.430 2.099 1.00 0.00 N ATOM 793 CA ASP A 55 -8.953 11.314 1.526 1.00 0.00 C ATOM 794 C ASP A 55 -8.311 10.681 0.295 1.00 0.00 C ATOM 795 O ASP A 55 -7.967 11.373 -0.664 1.00 0.00 O ATOM 796 CB ASP A 55 -7.880 11.639 2.566 1.00 0.00 C ATOM 797 CG ASP A 55 -6.556 12.020 1.932 1.00 0.00 C ATOM 798 OD1 ASP A 55 -6.469 13.126 1.359 1.00 0.00 O ATOM 799 OD2 ASP A 55 -5.607 11.211 2.008 1.00 0.00 O ATOM 0 H ASP A 55 -9.709 10.032 3.003 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.445 12.238 1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.226 12.457 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.734 10.776 3.215 1.00 0.00 H new ATOM 804 N LEU A 56 -8.152 9.363 0.330 1.00 0.00 N ATOM 805 CA LEU A 56 -7.551 8.635 -0.783 1.00 0.00 C ATOM 806 C LEU A 56 -8.482 8.621 -1.991 1.00 0.00 C ATOM 807 O LEU A 56 -9.702 8.705 -1.850 1.00 0.00 O ATOM 808 CB LEU A 56 -7.220 7.202 -0.362 1.00 0.00 C ATOM 809 CG LEU A 56 -6.026 6.555 -1.064 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.768 7.383 -0.851 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.821 5.132 -0.566 1.00 0.00 C ATOM 0 H LEU A 56 -8.431 8.776 1.116 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.630 9.146 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.033 7.194 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.099 6.581 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.235 6.518 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.929 6.907 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.917 8.383 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.555 7.453 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.967 4.687 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.635 5.146 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.714 4.542 -0.772 1.00 0.00 H new ATOM 823 N LYS A 57 -7.898 8.512 -3.180 1.00 0.00 N ATOM 824 CA LYS A 57 -8.674 8.483 -4.414 1.00 0.00 C ATOM 825 C LYS A 57 -7.883 7.824 -5.539 1.00 0.00 C ATOM 826 O LYS A 57 -6.722 7.455 -5.361 1.00 0.00 O ATOM 827 CB LYS A 57 -9.076 9.902 -4.822 1.00 0.00 C ATOM 828 CG LYS A 57 -7.931 10.898 -4.764 1.00 0.00 C ATOM 829 CD LYS A 57 -8.330 12.241 -5.353 1.00 0.00 C ATOM 830 CE LYS A 57 -9.045 13.109 -4.328 1.00 0.00 C ATOM 831 NZ LYS A 57 -8.947 14.557 -4.663 1.00 0.00 N ATOM 0 H LYS A 57 -6.889 8.442 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.574 7.895 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.477 9.880 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.879 10.245 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.617 11.033 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.074 10.501 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.442 12.759 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.979 12.083 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.094 12.819 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.616 12.935 -3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.446 15.115 -3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.947 14.840 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.379 14.728 -5.593 1.00 0.00 H new ATOM 845 N VAL A 58 -8.518 7.680 -6.698 1.00 0.00 N ATOM 846 CA VAL A 58 -7.872 7.068 -7.853 1.00 0.00 C ATOM 847 C VAL A 58 -7.119 8.107 -8.676 1.00 0.00 C ATOM 848 O VAL A 58 -7.697 9.096 -9.125 1.00 0.00 O ATOM 849 CB VAL A 58 -8.895 6.356 -8.757 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.222 5.830 -10.015 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.582 5.230 -7.999 1.00 0.00 C ATOM 0 H VAL A 58 -9.479 7.979 -6.862 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.166 6.333 -7.468 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.654 7.079 -9.056 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.961 5.330 -10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.781 6.661 -10.566 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.440 5.122 -9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.302 4.737 -8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.837 4.506 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.100 5.639 -7.131 1.00 0.00 H new ATOM 861 N GLY A 59 -5.824 7.876 -8.872 1.00 0.00 N ATOM 862 CA GLY A 59 -5.013 8.801 -9.641 1.00 0.00 C ATOM 863 C GLY A 59 -4.128 9.664 -8.765 1.00 0.00 C ATOM 864 O GLY A 59 -3.685 10.734 -9.181 1.00 0.00 O ATOM 0 H GLY A 59 -5.322 7.064 -8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.391 8.240 -10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.664 9.441 -10.237 1.00 0.00 H new ATOM 868 N ASP A 60 -3.871 9.199 -7.547 1.00 0.00 N ATOM 869 CA ASP A 60 -3.033 9.937 -6.608 1.00 0.00 C ATOM 870 C ASP A 60 -1.835 9.098 -6.175 1.00 0.00 C ATOM 871 O ASP A 60 -1.931 7.877 -6.053 1.00 0.00 O ATOM 872 CB ASP A 60 -3.848 10.355 -5.384 1.00 0.00 C ATOM 873 CG ASP A 60 -4.581 11.665 -5.596 1.00 0.00 C ATOM 874 OD1 ASP A 60 -4.235 12.390 -6.552 1.00 0.00 O ATOM 875 OD2 ASP A 60 -5.501 11.965 -4.805 1.00 0.00 O ATOM 0 H ASP A 60 -4.231 8.315 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.665 10.831 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.569 9.573 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.185 10.448 -4.524 1.00 0.00 H new ATOM 880 N ASP A 61 -0.707 9.762 -5.945 1.00 0.00 N ATOM 881 CA ASP A 61 0.511 9.078 -5.525 1.00 0.00 C ATOM 882 C ASP A 61 0.389 8.587 -4.086 1.00 0.00 C ATOM 883 O ASP A 61 -0.110 9.300 -3.216 1.00 0.00 O ATOM 884 CB ASP A 61 1.716 10.009 -5.660 1.00 0.00 C ATOM 885 CG ASP A 61 2.244 10.071 -7.079 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.434 10.287 -8.004 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.468 9.903 -7.266 1.00 0.00 O ATOM 0 H ASP A 61 -0.611 10.773 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 61 0.656 8.214 -6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.435 11.011 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.510 9.670 -4.995 1.00 0.00 H new ATOM 892 N VAL A 62 0.849 7.363 -3.842 1.00 0.00 N ATOM 893 CA VAL A 62 0.793 6.777 -2.509 1.00 0.00 C ATOM 894 C VAL A 62 1.923 5.776 -2.301 1.00 0.00 C ATOM 895 O VAL A 62 2.281 5.030 -3.212 1.00 0.00 O ATOM 896 CB VAL A 62 -0.554 6.071 -2.263 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.618 7.079 -1.854 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.986 5.301 -3.501 1.00 0.00 C ATOM 0 H VAL A 62 1.264 6.759 -4.551 1.00 0.00 H new ATOM 0 HA VAL A 62 0.901 7.596 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.428 5.360 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.563 6.562 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.310 7.582 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.745 7.816 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.939 4.809 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.096 5.990 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.233 4.551 -3.744 1.00 0.00 H new ATOM 908 N GLU A 63 2.482 5.765 -1.094 1.00 0.00 N ATOM 909 CA GLU A 63 3.573 4.855 -0.767 1.00 0.00 C ATOM 910 C GLU A 63 3.058 3.644 0.006 1.00 0.00 C ATOM 911 O GLU A 63 2.279 3.781 0.950 1.00 0.00 O ATOM 912 CB GLU A 63 4.643 5.580 0.053 1.00 0.00 C ATOM 913 CG GLU A 63 5.949 4.811 0.165 1.00 0.00 C ATOM 914 CD GLU A 63 6.686 5.099 1.459 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.280 4.556 2.507 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.670 5.867 1.422 1.00 0.00 O ATOM 0 H GLU A 63 2.197 6.375 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 63 4.015 4.507 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.841 6.551 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.255 5.769 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.744 3.743 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.590 5.066 -0.679 1.00 0.00 H new ATOM 923 N PHE A 64 3.500 2.458 -0.400 1.00 0.00 N ATOM 924 CA PHE A 64 3.083 1.223 0.252 1.00 0.00 C ATOM 925 C PHE A 64 4.243 0.235 0.337 1.00 0.00 C ATOM 926 O PHE A 64 5.335 0.500 -0.164 1.00 0.00 O ATOM 927 CB PHE A 64 1.914 0.590 -0.505 1.00 0.00 C ATOM 928 CG PHE A 64 2.111 0.559 -1.994 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.755 1.646 -2.776 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.651 -0.558 -2.611 1.00 0.00 C ATOM 931 CE1 PHE A 64 1.935 1.620 -4.147 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.834 -0.588 -3.981 1.00 0.00 C ATOM 933 CZ PHE A 64 2.475 0.501 -4.750 1.00 0.00 C ATOM 0 H PHE A 64 4.147 2.327 -1.178 1.00 0.00 H new ATOM 0 HA PHE A 64 2.761 1.467 1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.767 -0.428 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.003 1.143 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.332 2.524 -2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.932 -1.414 -2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.654 2.474 -4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.258 -1.464 -4.450 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.616 0.478 -5.820 1.00 0.00 H new ATOM 943 N GLU A 65 3.996 -0.905 0.975 1.00 0.00 N ATOM 944 CA GLU A 65 5.020 -1.932 1.127 1.00 0.00 C ATOM 945 C GLU A 65 4.551 -3.260 0.540 1.00 0.00 C ATOM 946 O GLU A 65 3.545 -3.823 0.974 1.00 0.00 O ATOM 947 CB GLU A 65 5.378 -2.113 2.604 1.00 0.00 C ATOM 948 CG GLU A 65 5.903 -3.499 2.938 1.00 0.00 C ATOM 949 CD GLU A 65 6.857 -3.493 4.117 1.00 0.00 C ATOM 950 OE1 GLU A 65 7.432 -2.423 4.408 1.00 0.00 O ATOM 951 OE2 GLU A 65 7.028 -4.557 4.747 1.00 0.00 O ATOM 0 H GLU A 65 3.097 -1.140 1.394 1.00 0.00 H new ATOM 0 HA GLU A 65 5.907 -1.607 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.129 -1.373 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.495 -1.912 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.063 -4.158 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.411 -3.911 2.066 1.00 0.00 H new ATOM 958 N VAL A 66 5.285 -3.755 -0.451 1.00 0.00 N ATOM 959 CA VAL A 66 4.945 -5.016 -1.099 1.00 0.00 C ATOM 960 C VAL A 66 5.240 -6.200 -0.185 1.00 0.00 C ATOM 961 O VAL A 66 6.382 -6.413 0.223 1.00 0.00 O ATOM 962 CB VAL A 66 5.718 -5.196 -2.419 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.357 -6.520 -3.073 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.441 -4.033 -3.360 1.00 0.00 C ATOM 0 H VAL A 66 6.120 -3.302 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 66 3.877 -4.983 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 66 6.785 -5.208 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.913 -6.629 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.611 -7.339 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.288 -6.542 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.995 -4.176 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.374 -3.987 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.755 -3.101 -2.890 1.00 0.00 H new ATOM 974 N SER A 67 4.203 -6.968 0.133 1.00 0.00 N ATOM 975 CA SER A 67 4.350 -8.129 1.002 1.00 0.00 C ATOM 976 C SER A 67 3.845 -9.393 0.311 1.00 0.00 C ATOM 977 O SER A 67 3.329 -9.339 -0.805 1.00 0.00 O ATOM 978 CB SER A 67 3.589 -7.913 2.312 1.00 0.00 C ATOM 979 OG SER A 67 4.409 -7.283 3.280 1.00 0.00 O ATOM 0 H SER A 67 3.252 -6.807 -0.198 1.00 0.00 H new ATOM 0 HA SER A 67 5.410 -8.254 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.705 -7.302 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.239 -8.872 2.695 1.00 0.00 H new ATOM 0 HG SER A 67 3.899 -7.155 4.107 1.00 0.00 H new ATOM 985 N SER A 68 3.999 -10.529 0.983 1.00 0.00 N ATOM 986 CA SER A 68 3.563 -11.807 0.433 1.00 0.00 C ATOM 987 C SER A 68 2.437 -12.404 1.272 1.00 0.00 C ATOM 988 O SER A 68 2.657 -12.856 2.395 1.00 0.00 O ATOM 989 CB SER A 68 4.738 -12.785 0.366 1.00 0.00 C ATOM 990 OG SER A 68 5.353 -12.930 1.635 1.00 0.00 O ATOM 0 H SER A 68 4.422 -10.591 1.909 1.00 0.00 H new ATOM 0 HA SER A 68 3.188 -11.631 -0.575 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.388 -13.756 0.015 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.471 -12.429 -0.358 1.00 0.00 H new ATOM 0 HG SER A 68 4.665 -12.938 2.333 1.00 0.00 H new ATOM 996 N ASP A 69 1.230 -12.401 0.717 1.00 0.00 N ATOM 997 CA ASP A 69 0.068 -12.943 1.412 1.00 0.00 C ATOM 998 C ASP A 69 0.381 -14.311 2.011 1.00 0.00 C ATOM 999 O ASP A 69 1.457 -14.866 1.786 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.121 -13.052 0.456 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.419 -13.357 1.177 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.612 -12.837 2.296 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.241 -14.116 0.623 1.00 0.00 O ATOM 0 H ASP A 69 1.031 -12.029 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.189 -12.261 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.226 -12.118 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.924 -13.834 -0.277 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.564 -14.848 2.775 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.388 -16.149 3.407 1.00 0.00 C ATOM 1010 C ARG A 70 -1.327 -17.184 2.795 1.00 0.00 C ATOM 1011 O ARG A 70 -1.176 -18.385 3.019 1.00 0.00 O ATOM 1012 CB ARG A 70 -0.638 -16.046 4.913 1.00 0.00 C ATOM 1013 CG ARG A 70 0.539 -15.476 5.688 1.00 0.00 C ATOM 1014 CD ARG A 70 1.078 -14.214 5.034 1.00 0.00 C ATOM 1015 NE ARG A 70 0.023 -13.239 4.771 1.00 0.00 N ATOM 1016 CZ ARG A 70 -0.431 -12.385 5.682 1.00 0.00 C ATOM 1017 NH1 ARG A 70 0.076 -12.385 6.907 1.00 0.00 N ATOM 1018 NH2 ARG A 70 -1.394 -11.528 5.367 1.00 0.00 N ATOM 0 H ARG A 70 -1.460 -14.402 2.971 1.00 0.00 H new ATOM 0 HA ARG A 70 0.639 -16.471 3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.513 -15.420 5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.873 -17.037 5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.230 -15.254 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.331 -16.222 5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.833 -13.765 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.573 -14.474 4.098 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.387 -13.212 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.817 -13.042 7.152 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.275 -11.728 7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.786 -11.525 4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.742 -10.873 6.067 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.298 -16.709 2.021 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.263 -17.592 1.377 1.00 0.00 C ATOM 1034 C ARG A 71 -2.874 -17.856 -0.075 1.00 0.00 C ATOM 1035 O ARG A 71 -2.887 -18.999 -0.535 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.664 -16.982 1.438 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.103 -16.604 2.843 1.00 0.00 C ATOM 1038 CD ARG A 71 -5.000 -17.784 3.796 1.00 0.00 C ATOM 1039 NE ARG A 71 -5.850 -17.615 4.972 1.00 0.00 N ATOM 1040 CZ ARG A 71 -7.177 -17.631 4.928 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -7.803 -17.807 3.772 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -7.881 -17.470 6.041 1.00 0.00 N ATOM 0 H ARG A 71 -2.437 -15.718 1.825 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.264 -18.541 1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.692 -16.094 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.379 -17.692 1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.486 -15.784 3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.131 -16.243 2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.282 -18.698 3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.964 -17.905 4.112 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.399 -17.477 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.265 -17.930 2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.822 -17.819 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.403 -17.334 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.900 -17.482 6.006 1.00 0.00 H new ATOM 1056 N THR A 72 -2.530 -16.792 -0.793 1.00 0.00 N ATOM 1057 CA THR A 72 -2.139 -16.908 -2.192 1.00 0.00 C ATOM 1058 C THR A 72 -0.648 -16.645 -2.371 1.00 0.00 C ATOM 1059 O THR A 72 -0.068 -16.980 -3.403 1.00 0.00 O ATOM 1060 CB THR A 72 -2.931 -15.929 -3.080 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.645 -14.579 -2.696 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.426 -16.187 -2.969 1.00 0.00 C ATOM 0 H THR A 72 -2.514 -15.840 -0.428 1.00 0.00 H new ATOM 0 HA THR A 72 -2.364 -17.929 -2.499 1.00 0.00 H new ATOM 0 HB THR A 72 -2.627 -16.084 -4.115 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.151 -13.963 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.965 -15.484 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.644 -17.206 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.742 -16.056 -1.934 1.00 0.00 H new ATOM 1070 N GLY A 73 -0.032 -16.045 -1.357 1.00 0.00 N ATOM 1071 CA GLY A 73 1.387 -15.748 -1.422 1.00 0.00 C ATOM 1072 C GLY A 73 1.722 -14.754 -2.517 1.00 0.00 C ATOM 1073 O GLY A 73 2.882 -14.612 -2.903 1.00 0.00 O ATOM 0 H GLY A 73 -0.490 -15.759 -0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.716 -15.351 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.941 -16.671 -1.592 1.00 0.00 H new ATOM 1077 N LYS A 74 0.703 -14.066 -3.021 1.00 0.00 N ATOM 1078 CA LYS A 74 0.894 -13.080 -4.078 1.00 0.00 C ATOM 1079 C LYS A 74 1.345 -11.742 -3.500 1.00 0.00 C ATOM 1080 O LYS A 74 1.048 -11.402 -2.355 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.402 -12.895 -4.870 1.00 0.00 C ATOM 1082 CG LYS A 74 -0.987 -14.195 -5.394 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.443 -14.536 -6.771 1.00 0.00 C ATOM 1084 CE LYS A 74 -0.821 -15.950 -7.185 1.00 0.00 C ATOM 1085 NZ LYS A 74 0.195 -16.947 -6.747 1.00 0.00 N ATOM 0 H LYS A 74 -0.264 -14.173 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 74 1.673 -13.447 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.139 -12.405 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.212 -12.227 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.757 -15.004 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.073 -14.114 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.830 -13.826 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.642 -14.434 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.790 -16.207 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.930 -15.994 -8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.027 -17.874 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.138 -16.643 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.184 -17.021 -5.710 1.00 0.00 H new ATOM 1099 N PRO A 75 2.078 -10.964 -4.310 1.00 0.00 N ATOM 1100 CA PRO A 75 2.583 -9.650 -3.901 1.00 0.00 C ATOM 1101 C PRO A 75 1.469 -8.619 -3.757 1.00 0.00 C ATOM 1102 O PRO A 75 0.903 -8.161 -4.750 1.00 0.00 O ATOM 1103 CB PRO A 75 3.527 -9.262 -5.042 1.00 0.00 C ATOM 1104 CG PRO A 75 3.021 -10.015 -6.224 1.00 0.00 C ATOM 1105 CD PRO A 75 2.469 -11.306 -5.688 1.00 0.00 C ATOM 0 HA PRO A 75 3.065 -9.685 -2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.511 -8.187 -5.221 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.558 -9.532 -4.812 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.250 -9.448 -6.747 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.821 -10.200 -6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.617 -11.652 -6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.214 -12.101 -5.709 1.00 0.00 H new ATOM 1113 N ILE A 76 1.159 -8.259 -2.517 1.00 0.00 N ATOM 1114 CA ILE A 76 0.114 -7.281 -2.244 1.00 0.00 C ATOM 1115 C ILE A 76 0.671 -6.072 -1.500 1.00 0.00 C ATOM 1116 O ILE A 76 1.788 -6.109 -0.985 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.031 -7.896 -1.418 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.514 -8.355 -0.053 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.662 -9.058 -2.169 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.586 -8.408 1.013 1.00 0.00 C ATOM 0 H ILE A 76 1.617 -8.630 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.277 -6.961 -3.210 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.795 -7.134 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.067 -9.344 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.277 -7.680 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.469 -9.482 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.061 -8.703 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.908 -9.823 -2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.148 -8.741 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.017 -7.416 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.367 -9.105 0.709 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.116 -5.003 -1.446 1.00 0.00 N ATOM 1133 CA ALA A 77 0.297 -3.784 -0.761 1.00 0.00 C ATOM 1134 C ALA A 77 -0.134 -3.803 0.701 1.00 0.00 C ATOM 1135 O ALA A 77 -1.143 -4.414 1.054 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.274 -2.563 -1.466 1.00 0.00 C ATOM 0 H ALA A 77 -1.043 -4.956 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 77 1.385 -3.731 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.042 -1.660 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.088 -2.534 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.363 -2.619 -1.467 1.00 0.00 H new ATOM 1142 N VAL A 78 0.638 -3.131 1.550 1.00 0.00 N ATOM 1143 CA VAL A 78 0.336 -3.071 2.975 1.00 0.00 C ATOM 1144 C VAL A 78 0.865 -1.783 3.595 1.00 0.00 C ATOM 1145 O VAL A 78 1.818 -1.186 3.095 1.00 0.00 O ATOM 1146 CB VAL A 78 0.935 -4.274 3.727 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.274 -5.568 3.278 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.441 -4.335 3.521 1.00 0.00 C ATOM 0 H VAL A 78 1.477 -2.621 1.275 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.750 -3.097 3.070 1.00 0.00 H new ATOM 0 HB VAL A 78 0.742 -4.147 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.710 -6.407 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.796 -5.520 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.433 -5.706 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.848 -5.191 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.659 -4.438 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.897 -3.420 3.898 1.00 0.00 H new ATOM 1158 N LYS A 79 0.240 -1.359 4.688 1.00 0.00 N ATOM 1159 CA LYS A 79 0.648 -0.142 5.380 1.00 0.00 C ATOM 1160 C LYS A 79 0.728 1.034 4.411 1.00 0.00 C ATOM 1161 O LYS A 79 1.696 1.795 4.422 1.00 0.00 O ATOM 1162 CB LYS A 79 2.003 -0.348 6.062 1.00 0.00 C ATOM 1163 CG LYS A 79 2.070 -1.602 6.915 1.00 0.00 C ATOM 1164 CD LYS A 79 3.479 -2.170 6.964 1.00 0.00 C ATOM 1165 CE LYS A 79 3.466 -3.677 7.165 1.00 0.00 C ATOM 1166 NZ LYS A 79 4.801 -4.283 6.902 1.00 0.00 N ATOM 0 H LYS A 79 -0.552 -1.841 5.114 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.102 0.084 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.781 -0.395 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.221 0.518 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.734 -1.373 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.388 -2.352 6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.001 -1.930 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.034 -1.699 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.158 -3.905 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.726 -4.126 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.820 -5.255 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.979 -4.298 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.537 -3.719 7.373 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.295 1.177 3.576 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.341 2.261 2.602 1.00 0.00 C ATOM 1182 C LEU A 80 -0.249 3.618 3.292 1.00 0.00 C ATOM 1183 O LEU A 80 -0.649 3.768 4.447 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.629 2.181 1.781 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.475 2.364 0.270 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.370 1.015 -0.423 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.640 3.165 -0.292 1.00 0.00 C ATOM 0 H LEU A 80 -1.104 0.556 3.554 1.00 0.00 H new ATOM 0 HA LEU A 80 0.515 2.154 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.093 1.212 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.319 2.940 2.150 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.555 2.918 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.261 1.165 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.502 0.477 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.272 0.434 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.513 3.285 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.573 2.638 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.669 4.146 0.182 1.00 0.00 H new ATOM 1199 N VAL A 81 0.279 4.606 2.577 1.00 0.00 N ATOM 1200 CA VAL A 81 0.421 5.952 3.119 1.00 0.00 C ATOM 1201 C VAL A 81 0.499 6.989 2.004 1.00 0.00 C ATOM 1202 O VAL A 81 1.361 6.910 1.128 1.00 0.00 O ATOM 1203 CB VAL A 81 1.675 6.071 4.005 1.00 0.00 C ATOM 1204 CG1 VAL A 81 1.341 5.742 5.452 1.00 0.00 C ATOM 1205 CG2 VAL A 81 2.782 5.165 3.485 1.00 0.00 C ATOM 0 H VAL A 81 0.616 4.499 1.620 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.463 6.143 3.727 1.00 0.00 H new ATOM 0 HB VAL A 81 2.030 7.101 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.240 5.832 6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.584 6.436 5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.960 4.723 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.661 5.261 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.439 4.130 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.040 5.454 2.466 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.406 7.961 2.042 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.440 9.015 1.036 1.00 0.00 C ATOM 1217 C LYS A 82 0.831 9.857 1.088 1.00 0.00 C ATOM 1218 O LYS A 82 1.197 10.382 2.140 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.665 9.909 1.245 1.00 0.00 C ATOM 1220 CG LYS A 82 -2.201 10.515 -0.040 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.643 10.970 0.118 1.00 0.00 C ATOM 1222 CE LYS A 82 -4.144 11.675 -1.133 1.00 0.00 C ATOM 1223 NZ LYS A 82 -4.776 10.724 -2.090 1.00 0.00 N ATOM 0 H LYS A 82 -1.126 8.040 2.760 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.504 8.545 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.454 9.325 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.405 10.712 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.581 11.363 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.136 9.782 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.276 10.109 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.722 11.642 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.866 12.442 -0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.312 12.183 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.873 11.180 -3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.181 9.876 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.716 10.451 -1.738 1.00 0.00 H new ATOM 1237 N ILE A 83 1.499 9.983 -0.054 1.00 0.00 N ATOM 1238 CA ILE A 83 2.727 10.764 -0.138 1.00 0.00 C ATOM 1239 C ILE A 83 2.455 12.245 0.101 1.00 0.00 C ATOM 1240 O ILE A 83 3.104 12.880 0.932 1.00 0.00 O ATOM 1241 CB ILE A 83 3.410 10.594 -1.508 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.378 9.126 -1.939 1.00 0.00 C ATOM 1243 CG2 ILE A 83 4.841 11.105 -1.454 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.271 8.824 -3.122 1.00 0.00 C ATOM 0 H ILE A 83 1.210 9.554 -0.933 1.00 0.00 H new ATOM 0 HA ILE A 83 3.392 10.389 0.640 1.00 0.00 H new ATOM 0 HB ILE A 83 2.863 11.182 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.680 8.502 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.353 8.851 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.310 10.978 -2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.840 12.162 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.400 10.542 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.198 7.766 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.956 9.422 -3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.303 9.067 -2.870 1.00 0.00 H new