USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 551 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 22 ASN : amide:sc= -0.473 K(o=-0.47,f=-3.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 153:sc= 0.074 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.125 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.0344 (180deg=-0.274) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 132:sc= 0.403 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -110:sc= -1.15 (180deg=-5.05!) USER MOD Single : A 69 MET CE :methyl 175:sc= -1.06 (180deg=-1.27) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.993 9.321 0.050 1.00 0.00 N ATOM 211 CA VAL A 17 3.729 8.214 0.651 1.00 0.00 C ATOM 212 C VAL A 17 2.779 7.191 1.263 1.00 0.00 C ATOM 213 O VAL A 17 2.066 7.486 2.223 1.00 0.00 O ATOM 214 CB VAL A 17 4.701 8.710 1.737 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.563 7.565 2.246 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.565 9.843 1.202 1.00 0.00 C ATOM 0 HA VAL A 17 4.300 7.742 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 17 4.118 9.093 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.244 7.935 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.925 6.790 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.139 7.148 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.246 10.181 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.141 9.489 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.928 10.671 0.892 1.00 0.00 H new ATOM 226 N LEU A 18 2.774 5.987 0.702 1.00 0.00 N ATOM 227 CA LEU A 18 1.913 4.916 1.193 1.00 0.00 C ATOM 228 C LEU A 18 2.702 3.933 2.052 1.00 0.00 C ATOM 229 O LEU A 18 3.660 3.317 1.586 1.00 0.00 O ATOM 230 CB LEU A 18 1.262 4.181 0.021 1.00 0.00 C ATOM 231 CG LEU A 18 0.760 5.058 -1.127 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.405 4.206 -2.335 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.439 5.883 -0.683 1.00 0.00 C ATOM 0 H LEU A 18 3.357 5.727 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 18 1.134 5.363 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.983 3.469 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.421 3.602 0.403 1.00 0.00 H new ATOM 0 HG LEU A 18 1.560 5.741 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.050 4.848 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.288 3.660 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.378 3.498 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.783 6.501 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.243 5.217 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.152 6.523 0.151 1.00 0.00 H new ATOM 245 N PHE A 19 2.289 3.788 3.306 1.00 0.00 N ATOM 246 CA PHE A 19 2.957 2.877 4.230 1.00 0.00 C ATOM 247 C PHE A 19 2.437 1.452 4.058 1.00 0.00 C ATOM 248 O PHE A 19 1.351 1.115 4.526 1.00 0.00 O ATOM 249 CB PHE A 19 2.748 3.337 5.674 1.00 0.00 C ATOM 250 CG PHE A 19 3.484 2.502 6.682 1.00 0.00 C ATOM 251 CD1 PHE A 19 4.809 2.769 6.986 1.00 0.00 C ATOM 252 CD2 PHE A 19 2.851 1.451 7.324 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.489 2.003 7.914 1.00 0.00 C ATOM 254 CE2 PHE A 19 3.526 0.681 8.253 1.00 0.00 C ATOM 255 CZ PHE A 19 4.847 0.956 8.547 1.00 0.00 C ATOM 0 H PHE A 19 1.496 4.289 3.707 1.00 0.00 H new ATOM 0 HA PHE A 19 4.023 2.887 4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.072 4.374 5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.683 3.314 5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.316 3.585 6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.819 1.230 7.097 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.521 2.223 8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.021 -0.135 8.748 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.377 0.354 9.270 1.00 0.00 H new ATOM 265 N VAL A 20 3.223 0.620 3.382 1.00 0.00 N ATOM 266 CA VAL A 20 2.845 -0.768 3.148 1.00 0.00 C ATOM 267 C VAL A 20 3.540 -1.700 4.132 1.00 0.00 C ATOM 268 O VAL A 20 4.753 -1.903 4.061 1.00 0.00 O ATOM 269 CB VAL A 20 3.186 -1.208 1.712 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.614 -2.588 1.426 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.669 -0.191 0.706 1.00 0.00 C ATOM 0 H VAL A 20 4.126 0.884 2.987 1.00 0.00 H new ATOM 0 HA VAL A 20 1.766 -0.831 3.293 1.00 0.00 H new ATOM 0 HB VAL A 20 4.270 -1.262 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.865 -2.882 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.036 -3.309 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.530 -2.563 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.919 -0.518 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.587 -0.103 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.130 0.778 0.898 1.00 0.00 H new ATOM 281 N ARG A 21 2.766 -2.268 5.051 1.00 0.00 N ATOM 282 CA ARG A 21 3.308 -3.179 6.052 1.00 0.00 C ATOM 283 C ARG A 21 2.995 -4.628 5.693 1.00 0.00 C ATOM 284 O ARG A 21 2.243 -4.898 4.757 1.00 0.00 O ATOM 285 CB ARG A 21 2.740 -2.851 7.433 1.00 0.00 C ATOM 286 CG ARG A 21 1.284 -3.253 7.605 1.00 0.00 C ATOM 287 CD ARG A 21 0.503 -2.201 8.376 1.00 0.00 C ATOM 288 NE ARG A 21 -0.714 -2.749 8.970 1.00 0.00 N ATOM 289 CZ ARG A 21 -0.725 -3.481 10.079 1.00 0.00 C ATOM 290 NH1 ARG A 21 0.409 -3.750 10.710 1.00 0.00 N ATOM 291 NH2 ARG A 21 -1.873 -3.944 10.558 1.00 0.00 N ATOM 0 H ARG A 21 1.760 -2.113 5.123 1.00 0.00 H new ATOM 0 HA ARG A 21 4.390 -3.053 6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.339 -3.355 8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.836 -1.780 7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.828 -3.401 6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.228 -4.207 8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.134 -1.784 9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.242 -1.381 7.707 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.604 -2.559 8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.293 -3.395 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.398 -4.312 11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.747 -3.738 10.075 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.881 -4.506 11.409 1.00 0.00 H new ATOM 305 N ASN A 22 3.578 -5.558 6.442 1.00 0.00 N ATOM 306 CA ASN A 22 3.362 -6.980 6.202 1.00 0.00 C ATOM 307 C ASN A 22 3.776 -7.361 4.785 1.00 0.00 C ATOM 308 O ASN A 22 2.931 -7.648 3.936 1.00 0.00 O ATOM 309 CB ASN A 22 1.893 -7.340 6.432 1.00 0.00 C ATOM 310 CG ASN A 22 1.478 -7.181 7.882 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.064 -6.393 8.624 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.462 -7.932 8.292 1.00 0.00 N ATOM 0 H ASN A 22 4.204 -5.352 7.221 1.00 0.00 H new ATOM 0 HA ASN A 22 3.980 -7.540 6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.264 -6.707 5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.721 -8.370 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.138 -7.869 9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.006 -8.572 7.642 1.00 0.00 H new ATOM 319 N LEU A 23 5.081 -7.363 4.535 1.00 0.00 N ATOM 320 CA LEU A 23 5.607 -7.710 3.220 1.00 0.00 C ATOM 321 C LEU A 23 6.245 -9.095 3.237 1.00 0.00 C ATOM 322 O LEU A 23 6.300 -9.752 4.276 1.00 0.00 O ATOM 323 CB LEU A 23 6.634 -6.669 2.769 1.00 0.00 C ATOM 324 CG LEU A 23 6.073 -5.439 2.053 1.00 0.00 C ATOM 325 CD1 LEU A 23 4.968 -4.799 2.878 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.181 -4.435 1.771 1.00 0.00 C ATOM 0 H LEU A 23 5.794 -7.128 5.226 1.00 0.00 H new ATOM 0 HA LEU A 23 4.776 -7.721 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.190 -6.333 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.349 -7.156 2.106 1.00 0.00 H new ATOM 0 HG LEU A 23 5.649 -5.758 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.581 -3.926 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.163 -5.518 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.367 -4.493 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.764 -3.566 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.635 -4.121 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.939 -4.898 1.139 1.00 0.00 H new ATOM 338 N ALA A 24 6.728 -9.533 2.078 1.00 0.00 N ATOM 339 CA ALA A 24 7.366 -10.839 1.961 1.00 0.00 C ATOM 340 C ALA A 24 8.886 -10.710 1.973 1.00 0.00 C ATOM 341 O ALA A 24 9.439 -9.721 1.490 1.00 0.00 O ATOM 342 CB ALA A 24 6.904 -11.540 0.692 1.00 0.00 C ATOM 0 H ALA A 24 6.689 -9.003 1.208 1.00 0.00 H new ATOM 0 HA ALA A 24 7.071 -11.439 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.388 -12.514 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.823 -11.674 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.170 -10.935 -0.175 1.00 0.00 H new ATOM 348 N THR A 25 9.556 -11.715 2.527 1.00 0.00 N ATOM 349 CA THR A 25 11.011 -11.714 2.603 1.00 0.00 C ATOM 350 C THR A 25 11.629 -12.267 1.324 1.00 0.00 C ATOM 351 O THR A 25 12.770 -11.950 0.985 1.00 0.00 O ATOM 352 CB THR A 25 11.512 -12.542 3.802 1.00 0.00 C ATOM 353 OG1 THR A 25 10.567 -12.470 4.876 1.00 0.00 O ATOM 354 CG2 THR A 25 12.866 -12.039 4.278 1.00 0.00 C ATOM 0 H THR A 25 9.113 -12.541 2.930 1.00 0.00 H new ATOM 0 HA THR A 25 11.320 -10.677 2.733 1.00 0.00 H new ATOM 0 HB THR A 25 11.619 -13.578 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.892 -13.000 5.634 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.200 -12.638 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.590 -12.121 3.468 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.780 -10.996 4.583 1.00 0.00 H new ATOM 362 N THR A 26 10.869 -13.097 0.616 1.00 0.00 N ATOM 363 CA THR A 26 11.342 -13.695 -0.625 1.00 0.00 C ATOM 364 C THR A 26 11.272 -12.700 -1.777 1.00 0.00 C ATOM 365 O THR A 26 12.070 -12.760 -2.713 1.00 0.00 O ATOM 366 CB THR A 26 10.524 -14.947 -0.994 1.00 0.00 C ATOM 367 OG1 THR A 26 9.171 -14.796 -0.549 1.00 0.00 O ATOM 368 CG2 THR A 26 11.132 -16.194 -0.370 1.00 0.00 C ATOM 0 H THR A 26 9.923 -13.370 0.882 1.00 0.00 H new ATOM 0 HA THR A 26 12.380 -13.984 -0.460 1.00 0.00 H new ATOM 0 HB THR A 26 10.540 -15.058 -2.078 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.578 -15.332 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.537 -17.065 -0.645 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.152 -16.322 -0.733 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.143 -16.090 0.715 1.00 0.00 H new ATOM 376 N VAL A 27 10.313 -11.781 -1.703 1.00 0.00 N ATOM 377 CA VAL A 27 10.140 -10.771 -2.739 1.00 0.00 C ATOM 378 C VAL A 27 11.295 -9.774 -2.732 1.00 0.00 C ATOM 379 O VAL A 27 12.031 -9.666 -1.751 1.00 0.00 O ATOM 380 CB VAL A 27 8.816 -10.006 -2.561 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.641 -10.971 -2.537 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.851 -9.165 -1.293 1.00 0.00 C ATOM 0 H VAL A 27 9.644 -11.716 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 27 10.122 -11.296 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 27 8.688 -9.335 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.714 -10.412 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.606 -11.525 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.760 -11.669 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.907 -8.632 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.003 -9.814 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.668 -8.447 -1.355 1.00 0.00 H new ATOM 392 N THR A 28 11.447 -9.047 -3.834 1.00 0.00 N ATOM 393 CA THR A 28 12.512 -8.059 -3.956 1.00 0.00 C ATOM 394 C THR A 28 11.962 -6.710 -4.406 1.00 0.00 C ATOM 395 O THR A 28 10.821 -6.615 -4.857 1.00 0.00 O ATOM 396 CB THR A 28 13.592 -8.518 -4.954 1.00 0.00 C ATOM 397 OG1 THR A 28 14.665 -7.571 -4.984 1.00 0.00 O ATOM 398 CG2 THR A 28 13.008 -8.675 -6.349 1.00 0.00 C ATOM 0 H THR A 28 10.846 -9.124 -4.655 1.00 0.00 H new ATOM 0 HA THR A 28 12.961 -7.954 -2.968 1.00 0.00 H new ATOM 0 HB THR A 28 13.971 -9.486 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.348 -7.871 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.789 -9.000 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.211 -9.418 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.604 -7.720 -6.684 1.00 0.00 H new ATOM 406 N GLU A 29 12.781 -5.670 -4.280 1.00 0.00 N ATOM 407 CA GLU A 29 12.374 -4.326 -4.673 1.00 0.00 C ATOM 408 C GLU A 29 11.900 -4.305 -6.124 1.00 0.00 C ATOM 409 O GLU A 29 11.069 -3.480 -6.502 1.00 0.00 O ATOM 410 CB GLU A 29 13.532 -3.344 -4.489 1.00 0.00 C ATOM 411 CG GLU A 29 13.808 -2.994 -3.037 1.00 0.00 C ATOM 412 CD GLU A 29 15.186 -2.396 -2.832 1.00 0.00 C ATOM 413 OE1 GLU A 29 16.174 -3.161 -2.837 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.278 -1.161 -2.668 1.00 0.00 O ATOM 0 H GLU A 29 13.729 -5.732 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 29 11.546 -4.023 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.433 -3.772 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.312 -2.429 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.054 -2.288 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.711 -3.892 -2.426 1.00 0.00 H new ATOM 421 N GLU A 30 12.436 -5.216 -6.930 1.00 0.00 N ATOM 422 CA GLU A 30 12.069 -5.300 -8.338 1.00 0.00 C ATOM 423 C GLU A 30 10.599 -5.678 -8.496 1.00 0.00 C ATOM 424 O GLU A 30 9.887 -5.109 -9.323 1.00 0.00 O ATOM 425 CB GLU A 30 12.950 -6.324 -9.058 1.00 0.00 C ATOM 426 CG GLU A 30 13.995 -5.697 -9.964 1.00 0.00 C ATOM 427 CD GLU A 30 13.805 -6.074 -11.421 1.00 0.00 C ATOM 428 OE1 GLU A 30 13.817 -7.284 -11.726 1.00 0.00 O ATOM 429 OE2 GLU A 30 13.646 -5.158 -12.255 1.00 0.00 O ATOM 0 H GLU A 30 13.126 -5.906 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 30 12.224 -4.319 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.451 -6.946 -8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.316 -6.983 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.953 -4.612 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.987 -6.009 -9.638 1.00 0.00 H new ATOM 436 N ILE A 31 10.153 -6.641 -7.697 1.00 0.00 N ATOM 437 CA ILE A 31 8.769 -7.095 -7.747 1.00 0.00 C ATOM 438 C ILE A 31 7.818 -6.016 -7.240 1.00 0.00 C ATOM 439 O ILE A 31 6.872 -5.631 -7.929 1.00 0.00 O ATOM 440 CB ILE A 31 8.564 -8.375 -6.917 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.518 -9.473 -7.391 1.00 0.00 C ATOM 442 CG2 ILE A 31 7.120 -8.843 -7.010 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.577 -10.666 -6.461 1.00 0.00 C ATOM 0 H ILE A 31 10.730 -7.122 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 31 8.547 -7.311 -8.792 1.00 0.00 H new ATOM 0 HB ILE A 31 8.785 -8.153 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.209 -9.809 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.519 -9.054 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.992 -9.749 -6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.460 -8.064 -6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.872 -9.052 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.273 -11.404 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.915 -10.343 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.585 -11.111 -6.376 1.00 0.00 H new ATOM 455 N LEU A 32 8.075 -5.530 -6.030 1.00 0.00 N ATOM 456 CA LEU A 32 7.243 -4.494 -5.429 1.00 0.00 C ATOM 457 C LEU A 32 7.117 -3.291 -6.357 1.00 0.00 C ATOM 458 O LEU A 32 6.051 -2.683 -6.460 1.00 0.00 O ATOM 459 CB LEU A 32 7.831 -4.056 -4.085 1.00 0.00 C ATOM 460 CG LEU A 32 7.671 -5.044 -2.929 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.862 -4.959 -1.987 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.374 -4.780 -2.178 1.00 0.00 C ATOM 0 H LEU A 32 8.853 -5.837 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 32 6.249 -4.910 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.894 -3.858 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.366 -3.113 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 32 7.630 -6.053 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.731 -5.669 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.775 -5.197 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.934 -3.950 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.276 -5.492 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.385 -3.766 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.530 -4.892 -2.859 1.00 0.00 H new ATOM 474 N GLU A 33 8.210 -2.953 -7.033 1.00 0.00 N ATOM 475 CA GLU A 33 8.221 -1.823 -7.955 1.00 0.00 C ATOM 476 C GLU A 33 7.324 -2.096 -9.159 1.00 0.00 C ATOM 477 O GLU A 33 6.808 -1.170 -9.786 1.00 0.00 O ATOM 478 CB GLU A 33 9.647 -1.531 -8.423 1.00 0.00 C ATOM 479 CG GLU A 33 10.410 -0.592 -7.503 1.00 0.00 C ATOM 480 CD GLU A 33 11.912 -0.699 -7.675 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.371 -1.688 -8.285 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.629 0.206 -7.199 1.00 0.00 O ATOM 0 H GLU A 33 9.100 -3.446 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 33 7.836 -0.951 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.193 -2.471 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.611 -1.097 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.098 0.434 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.150 -0.813 -6.468 1.00 0.00 H new ATOM 489 N LYS A 34 7.143 -3.373 -9.478 1.00 0.00 N ATOM 490 CA LYS A 34 6.309 -3.770 -10.606 1.00 0.00 C ATOM 491 C LYS A 34 4.848 -3.894 -10.185 1.00 0.00 C ATOM 492 O LYS A 34 3.942 -3.745 -11.004 1.00 0.00 O ATOM 493 CB LYS A 34 6.798 -5.099 -11.185 1.00 0.00 C ATOM 494 CG LYS A 34 7.291 -4.993 -12.618 1.00 0.00 C ATOM 495 CD LYS A 34 8.809 -4.995 -12.686 1.00 0.00 C ATOM 496 CE LYS A 34 9.362 -3.583 -12.801 1.00 0.00 C ATOM 497 NZ LYS A 34 10.793 -3.579 -13.215 1.00 0.00 N ATOM 0 H LYS A 34 7.563 -4.152 -8.970 1.00 0.00 H new ATOM 0 HA LYS A 34 6.384 -2.997 -11.371 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.604 -5.484 -10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.986 -5.825 -11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.898 -5.826 -13.201 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.907 -4.078 -13.069 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.214 -5.474 -11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.135 -5.586 -13.542 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.773 -3.020 -13.525 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.260 -3.074 -11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.132 -2.598 -13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.359 -4.094 -12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.888 -4.042 -14.141 1.00 0.00 H new ATOM 511 N SER A 35 4.627 -4.166 -8.903 1.00 0.00 N ATOM 512 CA SER A 35 3.275 -4.311 -8.374 1.00 0.00 C ATOM 513 C SER A 35 2.541 -2.974 -8.386 1.00 0.00 C ATOM 514 O SER A 35 1.338 -2.914 -8.641 1.00 0.00 O ATOM 515 CB SER A 35 3.319 -4.871 -6.951 1.00 0.00 C ATOM 516 OG SER A 35 4.431 -5.731 -6.775 1.00 0.00 O ATOM 0 H SER A 35 5.366 -4.290 -8.211 1.00 0.00 H new ATOM 0 HA SER A 35 2.733 -5.008 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.373 -4.050 -6.236 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.398 -5.415 -6.743 1.00 0.00 H new ATOM 0 HG SER A 35 4.437 -6.074 -5.857 1.00 0.00 H new ATOM 522 N PHE A 36 3.273 -1.901 -8.105 1.00 0.00 N ATOM 523 CA PHE A 36 2.693 -0.563 -8.080 1.00 0.00 C ATOM 524 C PHE A 36 2.799 0.100 -9.450 1.00 0.00 C ATOM 525 O PHE A 36 1.931 0.878 -9.844 1.00 0.00 O ATOM 526 CB PHE A 36 3.393 0.300 -7.028 1.00 0.00 C ATOM 527 CG PHE A 36 3.134 -0.147 -5.618 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.893 0.048 -5.032 1.00 0.00 C ATOM 529 CD2 PHE A 36 4.130 -0.763 -4.878 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.652 -0.362 -3.734 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.895 -1.175 -3.579 1.00 0.00 C ATOM 532 CZ PHE A 36 2.654 -0.975 -3.008 1.00 0.00 C ATOM 0 H PHE A 36 4.270 -1.932 -7.891 1.00 0.00 H new ATOM 0 HA PHE A 36 1.638 -0.656 -7.820 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.467 0.286 -7.214 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.064 1.333 -7.140 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.105 0.526 -5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.102 -0.923 -5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.681 -0.203 -3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.681 -1.652 -3.012 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.467 -1.298 -1.994 1.00 0.00 H new ATOM 542 N SER A 37 3.870 -0.213 -10.172 1.00 0.00 N ATOM 543 CA SER A 37 4.092 0.355 -11.496 1.00 0.00 C ATOM 544 C SER A 37 2.899 0.089 -12.409 1.00 0.00 C ATOM 545 O SER A 37 2.645 0.841 -13.350 1.00 0.00 O ATOM 546 CB SER A 37 5.364 -0.227 -12.119 1.00 0.00 C ATOM 547 OG SER A 37 5.467 0.120 -13.488 1.00 0.00 O ATOM 0 H SER A 37 4.598 -0.857 -9.862 1.00 0.00 H new ATOM 0 HA SER A 37 4.210 1.433 -11.385 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.237 0.141 -11.581 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.360 -1.312 -12.015 1.00 0.00 H new ATOM 0 HG SER A 37 6.288 -0.263 -13.862 1.00 0.00 H new ATOM 553 N GLU A 38 2.171 -0.985 -12.123 1.00 0.00 N ATOM 554 CA GLU A 38 1.004 -1.351 -12.918 1.00 0.00 C ATOM 555 C GLU A 38 -0.115 -0.328 -12.744 1.00 0.00 C ATOM 556 O GLU A 38 -0.955 -0.154 -13.627 1.00 0.00 O ATOM 557 CB GLU A 38 0.505 -2.742 -12.522 1.00 0.00 C ATOM 558 CG GLU A 38 1.548 -3.834 -12.692 1.00 0.00 C ATOM 559 CD GLU A 38 1.063 -4.974 -13.565 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.352 -4.701 -14.555 1.00 0.00 O ATOM 561 OE2 GLU A 38 1.392 -6.139 -13.259 1.00 0.00 O ATOM 0 H GLU A 38 2.368 -1.617 -11.347 1.00 0.00 H new ATOM 0 HA GLU A 38 1.300 -1.365 -13.967 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.181 -2.720 -11.482 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.370 -2.990 -13.123 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.450 -3.405 -13.129 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.823 -4.224 -11.712 1.00 0.00 H new ATOM 568 N PHE A 39 -0.119 0.346 -11.599 1.00 0.00 N ATOM 569 CA PHE A 39 -1.136 1.350 -11.307 1.00 0.00 C ATOM 570 C PHE A 39 -0.738 2.709 -11.878 1.00 0.00 C ATOM 571 O PHE A 39 -1.517 3.352 -12.581 1.00 0.00 O ATOM 572 CB PHE A 39 -1.352 1.464 -9.797 1.00 0.00 C ATOM 573 CG PHE A 39 -2.257 0.402 -9.240 1.00 0.00 C ATOM 574 CD1 PHE A 39 -3.633 0.567 -9.259 1.00 0.00 C ATOM 575 CD2 PHE A 39 -1.732 -0.760 -8.699 1.00 0.00 C ATOM 576 CE1 PHE A 39 -4.467 -0.409 -8.746 1.00 0.00 C ATOM 577 CE2 PHE A 39 -2.562 -1.738 -8.185 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.932 -1.564 -8.210 1.00 0.00 C ATOM 0 H PHE A 39 0.570 0.216 -10.858 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.067 1.035 -11.778 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.386 1.408 -9.294 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.772 2.444 -9.571 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.058 1.467 -9.679 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.662 -0.903 -8.679 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.538 -0.268 -8.764 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.140 -2.638 -7.764 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.583 -2.329 -7.812 1.00 0.00 H new ATOM 588 N GLY A 40 0.482 3.139 -11.571 1.00 0.00 N ATOM 589 CA GLY A 40 0.963 4.418 -12.061 1.00 0.00 C ATOM 590 C GLY A 40 2.464 4.567 -11.917 1.00 0.00 C ATOM 591 O GLY A 40 3.097 3.841 -11.150 1.00 0.00 O ATOM 0 H GLY A 40 1.146 2.625 -10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.689 4.528 -13.110 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.467 5.222 -11.517 1.00 0.00 H new ATOM 595 N LYS A 41 3.037 5.510 -12.656 1.00 0.00 N ATOM 596 CA LYS A 41 4.474 5.753 -12.609 1.00 0.00 C ATOM 597 C LYS A 41 4.947 5.942 -11.171 1.00 0.00 C ATOM 598 O LYS A 41 4.452 6.813 -10.455 1.00 0.00 O ATOM 599 CB LYS A 41 4.831 6.986 -13.441 1.00 0.00 C ATOM 600 CG LYS A 41 4.762 6.749 -14.940 1.00 0.00 C ATOM 601 CD LYS A 41 6.066 6.181 -15.476 1.00 0.00 C ATOM 602 CE LYS A 41 5.866 5.501 -16.821 1.00 0.00 C ATOM 603 NZ LYS A 41 5.084 4.240 -16.695 1.00 0.00 N ATOM 0 H LYS A 41 2.528 6.120 -13.296 1.00 0.00 H new ATOM 0 HA LYS A 41 4.978 4.882 -13.027 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.154 7.799 -13.179 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.838 7.312 -13.179 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.946 6.062 -15.163 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.537 7.687 -15.448 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.799 6.982 -15.577 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.473 5.465 -14.762 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.351 6.182 -17.499 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.837 5.283 -17.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.237 3.651 -17.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.396 3.721 -15.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.072 4.466 -16.609 1.00 0.00 H new ATOM 617 N LEU A 42 5.907 5.124 -10.756 1.00 0.00 N ATOM 618 CA LEU A 42 6.448 5.202 -9.404 1.00 0.00 C ATOM 619 C LEU A 42 7.621 6.176 -9.342 1.00 0.00 C ATOM 620 O LEU A 42 8.138 6.605 -10.373 1.00 0.00 O ATOM 621 CB LEU A 42 6.895 3.818 -8.930 1.00 0.00 C ATOM 622 CG LEU A 42 5.797 2.759 -8.822 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.398 1.398 -8.507 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.779 3.153 -7.762 1.00 0.00 C ATOM 0 H LEU A 42 6.327 4.398 -11.337 1.00 0.00 H new ATOM 0 HA LEU A 42 5.660 5.567 -8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.660 3.451 -9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.366 3.925 -7.953 1.00 0.00 H new ATOM 0 HG LEU A 42 5.285 2.694 -9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.602 0.657 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.088 1.112 -9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.935 1.448 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.005 2.388 -7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.277 3.247 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.325 4.107 -8.030 1.00 0.00 H new ATOM 636 N GLU A 43 8.035 6.519 -8.126 1.00 0.00 N ATOM 637 CA GLU A 43 9.147 7.442 -7.931 1.00 0.00 C ATOM 638 C GLU A 43 10.379 6.706 -7.410 1.00 0.00 C ATOM 639 O GLU A 43 11.480 6.867 -7.937 1.00 0.00 O ATOM 640 CB GLU A 43 8.753 8.552 -6.955 1.00 0.00 C ATOM 641 CG GLU A 43 8.871 9.948 -7.544 1.00 0.00 C ATOM 642 CD GLU A 43 8.536 11.034 -6.539 1.00 0.00 C ATOM 643 OE1 GLU A 43 8.838 10.849 -5.342 1.00 0.00 O ATOM 644 OE2 GLU A 43 7.972 12.069 -6.952 1.00 0.00 O ATOM 0 H GLU A 43 7.618 6.172 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 43 9.390 7.886 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.726 8.390 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.384 8.486 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.886 10.099 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.205 10.034 -8.402 1.00 0.00 H new ATOM 651 N ARG A 44 10.184 5.898 -6.373 1.00 0.00 N ATOM 652 CA ARG A 44 11.279 5.140 -5.779 1.00 0.00 C ATOM 653 C ARG A 44 10.774 4.259 -4.640 1.00 0.00 C ATOM 654 O ARG A 44 9.887 4.653 -3.883 1.00 0.00 O ATOM 655 CB ARG A 44 12.363 6.087 -5.264 1.00 0.00 C ATOM 656 CG ARG A 44 13.435 5.393 -4.439 1.00 0.00 C ATOM 657 CD ARG A 44 14.670 6.266 -4.283 1.00 0.00 C ATOM 658 NE ARG A 44 14.955 6.566 -2.881 1.00 0.00 N ATOM 659 CZ ARG A 44 15.804 7.508 -2.490 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.448 8.241 -3.389 1.00 0.00 N ATOM 661 NH2 ARG A 44 16.012 7.721 -1.197 1.00 0.00 N ATOM 0 H ARG A 44 9.279 5.751 -5.927 1.00 0.00 H new ATOM 0 HA ARG A 44 11.705 4.499 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.834 6.583 -6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.897 6.865 -4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.036 5.146 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.711 4.452 -4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.528 5.763 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.527 7.197 -4.831 1.00 0.00 H new ATOM 0 HE ARG A 44 14.475 6.022 -2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.291 8.081 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.100 8.964 -3.085 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.519 7.160 -0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.665 8.445 -0.898 1.00 0.00 H new ATOM 675 N VAL A 45 11.345 3.064 -4.525 1.00 0.00 N ATOM 676 CA VAL A 45 10.953 2.127 -3.478 1.00 0.00 C ATOM 677 C VAL A 45 12.151 1.724 -2.626 1.00 0.00 C ATOM 678 O VAL A 45 13.284 1.680 -3.107 1.00 0.00 O ATOM 679 CB VAL A 45 10.310 0.860 -4.071 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.748 -0.021 -2.966 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.225 1.232 -5.072 1.00 0.00 C ATOM 0 H VAL A 45 12.080 2.722 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 45 10.221 2.638 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 45 11.080 0.295 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.298 -0.912 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.552 -0.315 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.991 0.532 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.781 0.325 -5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.455 1.819 -4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.661 1.819 -5.880 1.00 0.00 H new ATOM 691 N LYS A 46 11.895 1.429 -1.356 1.00 0.00 N ATOM 692 CA LYS A 46 12.951 1.028 -0.435 1.00 0.00 C ATOM 693 C LYS A 46 12.443 -0.020 0.551 1.00 0.00 C ATOM 694 O LYS A 46 11.340 0.099 1.086 1.00 0.00 O ATOM 695 CB LYS A 46 13.482 2.245 0.326 1.00 0.00 C ATOM 696 CG LYS A 46 14.960 2.154 0.661 1.00 0.00 C ATOM 697 CD LYS A 46 15.817 2.126 -0.594 1.00 0.00 C ATOM 698 CE LYS A 46 17.187 2.739 -0.348 1.00 0.00 C ATOM 699 NZ LYS A 46 18.273 1.725 -0.444 1.00 0.00 N ATOM 0 H LYS A 46 10.964 1.460 -0.941 1.00 0.00 H new ATOM 0 HA LYS A 46 13.761 0.591 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.307 3.141 -0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.915 2.361 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.247 3.005 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.146 1.255 1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.934 1.097 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.312 2.670 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.366 3.532 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.207 3.200 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.191 2.182 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.117 0.981 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.271 1.303 -1.395 1.00 0.00 H new ATOM 713 N LYS A 47 13.254 -1.043 0.791 1.00 0.00 N ATOM 714 CA LYS A 47 12.890 -2.111 1.715 1.00 0.00 C ATOM 715 C LYS A 47 13.339 -1.777 3.135 1.00 0.00 C ATOM 716 O LYS A 47 14.511 -1.936 3.480 1.00 0.00 O ATOM 717 CB LYS A 47 13.514 -3.435 1.269 1.00 0.00 C ATOM 718 CG LYS A 47 12.663 -4.649 1.598 1.00 0.00 C ATOM 719 CD LYS A 47 12.675 -5.662 0.464 1.00 0.00 C ATOM 720 CE LYS A 47 12.046 -6.980 0.888 1.00 0.00 C ATOM 721 NZ LYS A 47 12.982 -8.124 0.708 1.00 0.00 N ATOM 0 H LYS A 47 14.170 -1.156 0.358 1.00 0.00 H new ATOM 0 HA LYS A 47 11.804 -2.209 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.685 -3.402 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.489 -3.546 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.033 -5.118 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.638 -4.334 1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.134 -5.258 -0.392 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.701 -5.835 0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.744 -6.919 1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.142 -7.155 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.993 -8.703 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.668 -8.706 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.939 -7.763 0.521 1.00 0.00 H new ATOM 735 N LEU A 48 12.400 -1.317 3.954 1.00 0.00 N ATOM 736 CA LEU A 48 12.698 -0.964 5.337 1.00 0.00 C ATOM 737 C LEU A 48 11.781 -1.712 6.300 1.00 0.00 C ATOM 738 O LEU A 48 10.582 -1.446 6.366 1.00 0.00 O ATOM 739 CB LEU A 48 12.548 0.546 5.542 1.00 0.00 C ATOM 740 CG LEU A 48 13.719 1.407 5.067 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.002 1.002 5.777 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.885 1.297 3.558 1.00 0.00 C ATOM 0 H LEU A 48 11.426 -1.180 3.684 1.00 0.00 H new ATOM 0 HA LEU A 48 13.728 -1.253 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.647 0.875 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.392 0.735 6.604 1.00 0.00 H new ATOM 0 HG LEU A 48 13.504 2.447 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.824 1.625 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.880 1.134 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.222 -0.044 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.723 1.916 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.077 0.259 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.974 1.637 3.066 1.00 0.00 H new ATOM 754 N LYS A 49 12.357 -2.648 7.048 1.00 0.00 N ATOM 755 CA LYS A 49 11.594 -3.433 8.011 1.00 0.00 C ATOM 756 C LYS A 49 10.532 -4.273 7.308 1.00 0.00 C ATOM 757 O LYS A 49 10.590 -4.477 6.096 1.00 0.00 O ATOM 758 CB LYS A 49 10.934 -2.514 9.042 1.00 0.00 C ATOM 759 CG LYS A 49 11.060 -3.013 10.471 1.00 0.00 C ATOM 760 CD LYS A 49 12.489 -2.899 10.976 1.00 0.00 C ATOM 761 CE LYS A 49 12.623 -1.806 12.025 1.00 0.00 C ATOM 762 NZ LYS A 49 13.989 -1.211 12.033 1.00 0.00 N ATOM 0 H LYS A 49 13.349 -2.881 7.005 1.00 0.00 H new ATOM 0 HA LYS A 49 12.284 -4.105 8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.381 -1.523 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.878 -2.405 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.397 -2.438 11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.736 -4.052 10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.803 -3.853 11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.156 -2.687 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.888 -1.025 11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.400 -2.218 13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.041 -0.470 12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.689 -1.951 12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.192 -0.796 11.101 1.00 0.00 H new ATOM 776 N ASP A 50 9.563 -4.757 8.079 1.00 0.00 N ATOM 777 CA ASP A 50 8.486 -5.573 7.529 1.00 0.00 C ATOM 778 C ASP A 50 7.679 -4.786 6.500 1.00 0.00 C ATOM 779 O ASP A 50 6.924 -5.362 5.717 1.00 0.00 O ATOM 780 CB ASP A 50 7.567 -6.064 8.649 1.00 0.00 C ATOM 781 CG ASP A 50 7.704 -7.553 8.899 1.00 0.00 C ATOM 782 OD1 ASP A 50 8.833 -8.005 9.183 1.00 0.00 O ATOM 783 OD2 ASP A 50 6.683 -8.266 8.810 1.00 0.00 O ATOM 0 H ASP A 50 9.501 -4.599 9.085 1.00 0.00 H new ATOM 0 HA ASP A 50 8.933 -6.434 7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.796 -5.522 9.567 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.533 -5.835 8.393 1.00 0.00 H new ATOM 788 N TYR A 51 7.844 -3.468 6.510 1.00 0.00 N ATOM 789 CA TYR A 51 7.128 -2.602 5.581 1.00 0.00 C ATOM 790 C TYR A 51 8.063 -2.079 4.494 1.00 0.00 C ATOM 791 O TYR A 51 9.228 -2.466 4.424 1.00 0.00 O ATOM 792 CB TYR A 51 6.491 -1.430 6.329 1.00 0.00 C ATOM 793 CG TYR A 51 7.452 -0.701 7.242 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.301 0.281 6.747 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.509 -0.994 8.599 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.181 0.948 7.577 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.384 -0.330 9.436 1.00 0.00 C ATOM 798 CZ TYR A 51 9.220 0.640 8.921 1.00 0.00 C ATOM 799 OH TYR A 51 10.093 1.304 9.751 1.00 0.00 O ATOM 0 H TYR A 51 8.467 -2.976 7.151 1.00 0.00 H new ATOM 0 HA TYR A 51 6.342 -3.191 5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.085 -0.724 5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.652 -1.799 6.919 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.273 0.527 5.696 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.858 -1.754 9.006 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.836 1.707 7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.414 -0.569 10.489 1.00 0.00 H new ATOM 0 HH TYR A 51 9.993 0.969 10.666 1.00 0.00 H new ATOM 809 N ALA A 52 7.541 -1.195 3.650 1.00 0.00 N ATOM 810 CA ALA A 52 8.328 -0.616 2.568 1.00 0.00 C ATOM 811 C ALA A 52 7.942 0.840 2.327 1.00 0.00 C ATOM 812 O ALA A 52 6.847 1.270 2.690 1.00 0.00 O ATOM 813 CB ALA A 52 8.152 -1.428 1.293 1.00 0.00 C ATOM 0 H ALA A 52 6.577 -0.864 3.695 1.00 0.00 H new ATOM 0 HA ALA A 52 9.378 -0.643 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.745 -0.984 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.484 -2.452 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.101 -1.431 1.006 1.00 0.00 H new ATOM 819 N PHE A 53 8.847 1.593 1.713 1.00 0.00 N ATOM 820 CA PHE A 53 8.601 3.001 1.424 1.00 0.00 C ATOM 821 C PHE A 53 8.628 3.262 -0.079 1.00 0.00 C ATOM 822 O PHE A 53 9.689 3.250 -0.704 1.00 0.00 O ATOM 823 CB PHE A 53 9.645 3.876 2.124 1.00 0.00 C ATOM 824 CG PHE A 53 9.344 4.125 3.574 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.128 4.666 3.960 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.276 3.818 4.552 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.848 4.895 5.294 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.003 4.044 5.887 1.00 0.00 C ATOM 829 CZ PHE A 53 8.786 4.584 6.259 1.00 0.00 C ATOM 0 H PHE A 53 9.758 1.252 1.406 1.00 0.00 H new ATOM 0 HA PHE A 53 7.610 3.256 1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.622 3.399 2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.712 4.833 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.391 4.911 3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.229 3.396 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.896 5.317 5.582 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.739 3.799 6.639 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.569 4.762 7.302 1.00 0.00 H new ATOM 839 N VAL A 54 7.453 3.497 -0.653 1.00 0.00 N ATOM 840 CA VAL A 54 7.340 3.761 -2.083 1.00 0.00 C ATOM 841 C VAL A 54 6.827 5.173 -2.343 1.00 0.00 C ATOM 842 O VAL A 54 5.981 5.683 -1.606 1.00 0.00 O ATOM 843 CB VAL A 54 6.401 2.751 -2.768 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.304 3.037 -4.259 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.876 1.328 -2.519 1.00 0.00 C ATOM 0 H VAL A 54 6.566 3.510 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 54 8.340 3.658 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 54 5.405 2.857 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.636 2.313 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.913 4.043 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.294 2.960 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.201 0.628 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.882 1.205 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.887 1.130 -1.447 1.00 0.00 H new ATOM 855 N HIS A 55 7.342 5.800 -3.394 1.00 0.00 N ATOM 856 CA HIS A 55 6.934 7.154 -3.752 1.00 0.00 C ATOM 857 C HIS A 55 6.205 7.167 -5.092 1.00 0.00 C ATOM 858 O HIS A 55 6.404 6.283 -5.927 1.00 0.00 O ATOM 859 CB HIS A 55 8.153 8.077 -3.814 1.00 0.00 C ATOM 860 CG HIS A 55 8.680 8.464 -2.468 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.562 9.737 -1.950 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.328 7.737 -1.527 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.117 9.777 -0.752 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.590 8.575 -0.472 1.00 0.00 N ATOM 0 H HIS A 55 8.043 5.393 -4.013 1.00 0.00 H new ATOM 0 HA HIS A 55 6.251 7.515 -2.983 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.945 7.582 -4.376 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.887 8.980 -4.364 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.590 6.691 -1.594 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.174 10.644 -0.111 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.071 8.313 0.388 1.00 0.00 H new ATOM 872 N PHE A 56 5.358 8.172 -5.291 1.00 0.00 N ATOM 873 CA PHE A 56 4.597 8.297 -6.528 1.00 0.00 C ATOM 874 C PHE A 56 4.769 9.686 -7.134 1.00 0.00 C ATOM 875 O PHE A 56 5.042 10.654 -6.424 1.00 0.00 O ATOM 876 CB PHE A 56 3.115 8.019 -6.270 1.00 0.00 C ATOM 877 CG PHE A 56 2.799 6.562 -6.094 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.030 5.930 -4.883 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.271 5.823 -7.141 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.740 4.590 -4.718 1.00 0.00 C ATOM 881 CE2 PHE A 56 1.979 4.482 -6.982 1.00 0.00 C ATOM 882 CZ PHE A 56 2.215 3.863 -5.769 1.00 0.00 C ATOM 0 H PHE A 56 5.182 8.912 -4.611 1.00 0.00 H new ATOM 0 HA PHE A 56 4.979 7.562 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.802 8.561 -5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.530 8.411 -7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.442 6.492 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.086 6.301 -8.092 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.924 4.111 -3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.566 3.918 -7.805 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.990 2.814 -5.643 1.00 0.00 H new ATOM 892 N GLU A 57 4.607 9.776 -8.451 1.00 0.00 N ATOM 893 CA GLU A 57 4.745 11.047 -9.151 1.00 0.00 C ATOM 894 C GLU A 57 3.812 12.100 -8.559 1.00 0.00 C ATOM 895 O GLU A 57 4.079 13.298 -8.643 1.00 0.00 O ATOM 896 CB GLU A 57 4.449 10.868 -10.642 1.00 0.00 C ATOM 897 CG GLU A 57 3.087 10.255 -10.922 1.00 0.00 C ATOM 898 CD GLU A 57 2.701 10.336 -12.386 1.00 0.00 C ATOM 899 OE1 GLU A 57 3.611 10.443 -13.235 1.00 0.00 O ATOM 900 OE2 GLU A 57 1.489 10.291 -12.683 1.00 0.00 O ATOM 0 H GLU A 57 4.380 8.985 -9.053 1.00 0.00 H new ATOM 0 HA GLU A 57 5.773 11.389 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.510 11.838 -11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.220 10.237 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.091 9.211 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.333 10.765 -10.322 1.00 0.00 H new ATOM 907 N ASP A 58 2.718 11.643 -7.962 1.00 0.00 N ATOM 908 CA ASP A 58 1.744 12.544 -7.355 1.00 0.00 C ATOM 909 C ASP A 58 0.887 11.806 -6.332 1.00 0.00 C ATOM 910 O ASP A 58 1.129 10.638 -6.029 1.00 0.00 O ATOM 911 CB ASP A 58 0.854 13.166 -8.431 1.00 0.00 C ATOM 912 CG ASP A 58 0.971 14.676 -8.478 1.00 0.00 C ATOM 913 OD1 ASP A 58 0.732 15.322 -7.436 1.00 0.00 O ATOM 914 OD2 ASP A 58 1.303 15.213 -9.556 1.00 0.00 O ATOM 0 H ASP A 58 2.482 10.654 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 58 2.288 13.337 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.123 12.753 -9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.184 12.891 -8.244 1.00 0.00 H new ATOM 919 N ARG A 59 -0.116 12.499 -5.798 1.00 0.00 N ATOM 920 CA ARG A 59 -1.007 11.910 -4.806 1.00 0.00 C ATOM 921 C ARG A 59 -2.002 10.959 -5.466 1.00 0.00 C ATOM 922 O ARG A 59 -2.287 9.883 -4.942 1.00 0.00 O ATOM 923 CB ARG A 59 -1.759 13.008 -4.051 1.00 0.00 C ATOM 924 CG ARG A 59 -2.863 12.481 -3.149 1.00 0.00 C ATOM 925 CD ARG A 59 -4.239 12.822 -3.695 1.00 0.00 C ATOM 926 NE ARG A 59 -5.305 12.436 -2.774 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.596 12.474 -3.086 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.980 12.878 -4.289 1.00 0.00 N ATOM 929 NH2 ARG A 59 -7.507 12.106 -2.193 1.00 0.00 N ATOM 0 H ARG A 59 -0.331 13.467 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.401 11.342 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.049 13.575 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.191 13.702 -4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.768 11.400 -3.049 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.752 12.904 -2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.297 13.893 -3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.385 12.318 -4.650 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.044 12.120 -1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.284 13.161 -4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.972 12.906 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.216 11.794 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.498 12.136 -2.433 1.00 0.00 H new ATOM 943 N GLY A 60 -2.528 11.365 -6.617 1.00 0.00 N ATOM 944 CA GLY A 60 -3.485 10.538 -7.328 1.00 0.00 C ATOM 945 C GLY A 60 -2.968 9.135 -7.575 1.00 0.00 C ATOM 946 O GLY A 60 -3.645 8.154 -7.268 1.00 0.00 O ATOM 0 H GLY A 60 -2.308 12.252 -7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.411 10.485 -6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.727 11.006 -8.282 1.00 0.00 H new ATOM 950 N ALA A 61 -1.766 9.038 -8.132 1.00 0.00 N ATOM 951 CA ALA A 61 -1.159 7.745 -8.420 1.00 0.00 C ATOM 952 C ALA A 61 -1.047 6.898 -7.156 1.00 0.00 C ATOM 953 O ALA A 61 -1.011 5.670 -7.222 1.00 0.00 O ATOM 954 CB ALA A 61 0.211 7.933 -9.054 1.00 0.00 C ATOM 0 H ALA A 61 -1.193 9.840 -8.393 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.803 7.218 -9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.652 6.958 -9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.108 8.492 -9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.856 8.484 -8.369 1.00 0.00 H new ATOM 960 N ALA A 62 -0.991 7.563 -6.007 1.00 0.00 N ATOM 961 CA ALA A 62 -0.884 6.871 -4.729 1.00 0.00 C ATOM 962 C ALA A 62 -2.254 6.422 -4.231 1.00 0.00 C ATOM 963 O ALA A 62 -2.416 5.296 -3.760 1.00 0.00 O ATOM 964 CB ALA A 62 -0.215 7.768 -3.698 1.00 0.00 C ATOM 0 H ALA A 62 -1.018 8.580 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.270 5.982 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.142 7.239 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.784 8.036 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.807 8.673 -3.564 1.00 0.00 H new ATOM 970 N VAL A 63 -3.238 7.310 -4.337 1.00 0.00 N ATOM 971 CA VAL A 63 -4.594 7.004 -3.899 1.00 0.00 C ATOM 972 C VAL A 63 -5.223 5.922 -4.770 1.00 0.00 C ATOM 973 O VAL A 63 -5.651 4.880 -4.273 1.00 0.00 O ATOM 974 CB VAL A 63 -5.489 8.257 -3.930 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.904 7.913 -3.487 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.900 9.354 -3.056 1.00 0.00 C ATOM 0 H VAL A 63 -3.121 8.247 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.521 6.643 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.534 8.625 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.522 8.810 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.323 7.163 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.882 7.520 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.545 10.232 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.824 8.999 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.908 9.618 -3.423 1.00 0.00 H new ATOM 986 N LYS A 64 -5.275 6.176 -6.073 1.00 0.00 N ATOM 987 CA LYS A 64 -5.850 5.224 -7.016 1.00 0.00 C ATOM 988 C LYS A 64 -5.204 3.850 -6.864 1.00 0.00 C ATOM 989 O LYS A 64 -5.830 2.826 -7.135 1.00 0.00 O ATOM 990 CB LYS A 64 -5.675 5.726 -8.451 1.00 0.00 C ATOM 991 CG LYS A 64 -6.323 4.830 -9.493 1.00 0.00 C ATOM 992 CD LYS A 64 -5.287 4.195 -10.404 1.00 0.00 C ATOM 993 CE LYS A 64 -5.932 3.245 -11.403 1.00 0.00 C ATOM 994 NZ LYS A 64 -6.588 3.978 -12.520 1.00 0.00 N ATOM 0 H LYS A 64 -4.926 7.034 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.914 5.132 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.099 6.727 -8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.611 5.812 -8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.899 4.049 -8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.025 5.413 -10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.745 4.974 -10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.556 3.653 -9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.175 2.572 -11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.669 2.626 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.015 3.296 -13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.328 4.602 -12.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.880 4.549 -13.024 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.948 3.837 -6.428 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.219 2.589 -6.238 1.00 0.00 C ATOM 1010 C ALA A 65 -3.619 1.914 -4.930 1.00 0.00 C ATOM 1011 O ALA A 65 -4.125 0.794 -4.928 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.719 2.845 -6.265 1.00 0.00 C ATOM 0 H ALA A 65 -3.415 4.676 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.477 1.917 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.187 1.905 -6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.441 3.277 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.454 3.537 -5.466 1.00 0.00 H new ATOM 1018 N MET A 66 -3.387 2.605 -3.818 1.00 0.00 N ATOM 1019 CA MET A 66 -3.723 2.072 -2.503 1.00 0.00 C ATOM 1020 C MET A 66 -5.195 1.676 -2.437 1.00 0.00 C ATOM 1021 O MET A 66 -5.578 0.801 -1.661 1.00 0.00 O ATOM 1022 CB MET A 66 -3.412 3.103 -1.416 1.00 0.00 C ATOM 1023 CG MET A 66 -3.927 2.710 -0.041 1.00 0.00 C ATOM 1024 SD MET A 66 -3.459 3.892 1.239 1.00 0.00 S ATOM 1025 CE MET A 66 -4.524 5.272 0.831 1.00 0.00 C ATOM 0 H MET A 66 -2.968 3.535 -3.802 1.00 0.00 H new ATOM 0 HA MET A 66 -3.117 1.182 -2.334 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.333 3.249 -1.363 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.849 4.060 -1.699 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.013 2.627 -0.074 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.540 1.725 0.220 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.923 6.092 0.437 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.250 4.961 0.080 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.048 5.604 1.727 1.00 0.00 H new ATOM 1035 N ASP A 67 -6.014 2.325 -3.258 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.444 2.040 -3.293 1.00 0.00 C ATOM 1037 C ASP A 67 -7.696 0.554 -3.534 1.00 0.00 C ATOM 1038 O ASP A 67 -8.463 -0.080 -2.811 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.124 2.868 -4.384 1.00 0.00 C ATOM 1040 CG ASP A 67 -9.198 3.784 -3.830 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -8.842 4.809 -3.210 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -10.393 3.478 -4.016 1.00 0.00 O ATOM 0 H ASP A 67 -5.712 3.051 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.867 2.310 -2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.374 3.465 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.566 2.199 -5.122 1.00 0.00 H new ATOM 1047 N GLU A 68 -7.044 0.006 -4.555 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.199 -1.403 -4.892 1.00 0.00 C ATOM 1049 C GLU A 68 -6.136 -2.249 -4.198 1.00 0.00 C ATOM 1050 O GLU A 68 -6.423 -3.336 -3.695 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.115 -1.602 -6.407 1.00 0.00 C ATOM 1052 CG GLU A 68 -8.040 -0.688 -7.193 1.00 0.00 C ATOM 1053 CD GLU A 68 -8.320 -1.203 -8.591 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -7.642 -2.162 -9.017 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -9.216 -0.646 -9.260 1.00 0.00 O ATOM 0 H GLU A 68 -6.404 0.517 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.180 -1.726 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.088 -1.432 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.356 -2.639 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.981 -0.580 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.594 0.305 -7.258 1.00 0.00 H new ATOM 1062 N MET A 69 -4.907 -1.743 -4.174 1.00 0.00 N ATOM 1063 CA MET A 69 -3.801 -2.451 -3.542 1.00 0.00 C ATOM 1064 C MET A 69 -4.160 -2.857 -2.116 1.00 0.00 C ATOM 1065 O MET A 69 -3.877 -3.976 -1.690 1.00 0.00 O ATOM 1066 CB MET A 69 -2.546 -1.576 -3.534 1.00 0.00 C ATOM 1067 CG MET A 69 -2.042 -1.224 -4.924 1.00 0.00 C ATOM 1068 SD MET A 69 -0.633 -2.230 -5.428 1.00 0.00 S ATOM 1069 CE MET A 69 -1.260 -3.877 -5.109 1.00 0.00 C ATOM 0 H MET A 69 -4.653 -0.845 -4.585 1.00 0.00 H new ATOM 0 HA MET A 69 -3.603 -3.354 -4.120 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.758 -0.656 -2.989 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.756 -2.093 -2.990 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.851 -1.353 -5.643 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.759 -0.172 -4.948 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.536 -4.615 -5.454 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.424 -4.003 -4.039 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.202 -4.017 -5.640 1.00 0.00 H new ATOM 1079 N ASN A 70 -4.784 -1.940 -1.383 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.181 -2.204 -0.006 1.00 0.00 C ATOM 1081 C ASN A 70 -5.984 -3.498 0.092 1.00 0.00 C ATOM 1082 O ASN A 70 -7.082 -3.601 -0.452 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.006 -1.037 0.542 1.00 0.00 C ATOM 1084 CG ASN A 70 -6.791 -1.415 1.782 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -8.020 -1.342 1.799 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -6.083 -1.822 2.830 1.00 0.00 N ATOM 0 H ASN A 70 -5.025 -1.008 -1.720 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.276 -2.313 0.591 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.342 -0.205 0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.694 -0.689 -0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.557 -2.089 3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.066 -1.867 2.772 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.426 -4.482 0.791 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.103 -5.757 0.947 1.00 0.00 C ATOM 1095 C GLY A 71 -5.859 -6.690 -0.223 1.00 0.00 C ATOM 1096 O GLY A 71 -6.800 -7.245 -0.791 1.00 0.00 O ATOM 0 H GLY A 71 -4.518 -4.419 1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.764 -6.235 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.174 -5.585 1.054 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.592 -6.864 -0.583 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.225 -7.737 -1.692 1.00 0.00 C ATOM 1102 C LYS A 72 -3.349 -8.889 -1.211 1.00 0.00 C ATOM 1103 O LYS A 72 -3.028 -8.984 -0.027 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.491 -6.941 -2.774 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.389 -6.490 -3.912 1.00 0.00 C ATOM 1106 CD LYS A 72 -3.906 -7.028 -5.249 1.00 0.00 C ATOM 1107 CE LYS A 72 -5.052 -7.168 -6.241 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.656 -7.964 -7.436 1.00 0.00 N ATOM 0 H LYS A 72 -3.802 -6.412 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.141 -8.152 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.029 -6.065 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.685 -7.553 -3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.409 -6.829 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.417 -5.401 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.148 -6.360 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.430 -7.998 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.900 -7.646 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.382 -6.178 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.463 -8.037 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.863 -7.495 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.365 -8.917 -7.138 1.00 0.00 H new ATOM 1122 N GLU A 73 -2.965 -9.762 -2.137 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.125 -10.906 -1.807 1.00 0.00 C ATOM 1124 C GLU A 73 -0.860 -10.918 -2.660 1.00 0.00 C ATOM 1125 O GLU A 73 -0.912 -11.172 -3.864 1.00 0.00 O ATOM 1126 CB GLU A 73 -2.900 -12.211 -2.007 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.037 -13.456 -1.892 1.00 0.00 C ATOM 1128 CD GLU A 73 -2.815 -14.732 -2.151 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.423 -14.847 -3.235 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -2.815 -15.615 -1.268 1.00 0.00 O ATOM 0 H GLU A 73 -3.223 -9.698 -3.122 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.835 -10.820 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.701 -12.265 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.372 -12.196 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.212 -13.388 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.598 -13.499 -0.895 1.00 0.00 H new ATOM 1137 N ILE A 74 0.276 -10.641 -2.026 1.00 0.00 N ATOM 1138 CA ILE A 74 1.553 -10.620 -2.726 1.00 0.00 C ATOM 1139 C ILE A 74 2.445 -11.774 -2.279 1.00 0.00 C ATOM 1140 O ILE A 74 2.788 -11.885 -1.103 1.00 0.00 O ATOM 1141 CB ILE A 74 2.299 -9.292 -2.497 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.415 -8.110 -2.901 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.604 -9.276 -3.278 1.00 0.00 C ATOM 1144 CD1 ILE A 74 2.029 -6.762 -2.589 1.00 0.00 C ATOM 0 H ILE A 74 0.336 -10.429 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 74 1.332 -10.725 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 74 2.533 -9.201 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.210 -8.168 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.457 -8.191 -2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.119 -8.331 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.236 -10.100 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.393 -9.385 -4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.348 -5.971 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.208 -6.683 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.974 -6.660 -3.123 1.00 0.00 H new ATOM 1156 N GLU A 75 2.817 -12.628 -3.226 1.00 0.00 N ATOM 1157 CA GLU A 75 3.670 -13.774 -2.928 1.00 0.00 C ATOM 1158 C GLU A 75 3.057 -14.637 -1.830 1.00 0.00 C ATOM 1159 O GLU A 75 3.764 -15.157 -0.967 1.00 0.00 O ATOM 1160 CB GLU A 75 5.063 -13.303 -2.506 1.00 0.00 C ATOM 1161 CG GLU A 75 6.188 -14.168 -3.050 1.00 0.00 C ATOM 1162 CD GLU A 75 5.992 -15.640 -2.742 1.00 0.00 C ATOM 1163 OE1 GLU A 75 6.393 -16.076 -1.643 1.00 0.00 O ATOM 1164 OE2 GLU A 75 5.439 -16.357 -3.603 1.00 0.00 O ATOM 0 H GLU A 75 2.542 -12.549 -4.205 1.00 0.00 H new ATOM 0 HA GLU A 75 3.757 -14.376 -3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.209 -12.277 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.119 -13.291 -1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.256 -14.032 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.135 -13.835 -2.626 1.00 0.00 H new ATOM 1171 N GLY A 76 1.736 -14.785 -1.869 1.00 0.00 N ATOM 1172 CA GLY A 76 1.050 -15.586 -0.872 1.00 0.00 C ATOM 1173 C GLY A 76 1.230 -15.042 0.532 1.00 0.00 C ATOM 1174 O GLY A 76 1.170 -15.792 1.506 1.00 0.00 O ATOM 0 H GLY A 76 1.129 -14.365 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.013 -15.625 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.423 -16.609 -0.913 1.00 0.00 H new ATOM 1178 N GLU A 77 1.452 -13.736 0.635 1.00 0.00 N ATOM 1179 CA GLU A 77 1.644 -13.094 1.930 1.00 0.00 C ATOM 1180 C GLU A 77 0.706 -11.901 2.091 1.00 0.00 C ATOM 1181 O GLU A 77 0.660 -11.016 1.236 1.00 0.00 O ATOM 1182 CB GLU A 77 3.097 -12.640 2.090 1.00 0.00 C ATOM 1183 CG GLU A 77 4.020 -13.729 2.611 1.00 0.00 C ATOM 1184 CD GLU A 77 3.881 -13.946 4.106 1.00 0.00 C ATOM 1185 OE1 GLU A 77 4.505 -13.186 4.875 1.00 0.00 O ATOM 1186 OE2 GLU A 77 3.148 -14.875 4.505 1.00 0.00 O ATOM 0 H GLU A 77 1.503 -13.102 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 77 1.412 -13.824 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.468 -12.291 1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.130 -11.790 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.805 -14.662 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.052 -13.466 2.380 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.039 -11.884 3.191 1.00 0.00 N ATOM 1194 CA GLU A 78 -0.976 -10.802 3.462 1.00 0.00 C ATOM 1195 C GLU A 78 -0.253 -9.459 3.521 1.00 0.00 C ATOM 1196 O GLU A 78 0.682 -9.279 4.301 1.00 0.00 O ATOM 1197 CB GLU A 78 -1.715 -11.053 4.778 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.117 -11.607 4.592 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.176 -10.522 4.579 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -3.814 -9.342 4.387 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.367 -10.853 4.759 1.00 0.00 O ATOM 0 H GLU A 78 -0.012 -12.608 3.909 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.700 -10.771 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.135 -11.750 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.774 -10.119 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.162 -12.165 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.334 -12.312 5.394 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.694 -8.519 2.690 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.090 -7.194 2.648 1.00 0.00 C ATOM 1210 C ILE A 79 -1.091 -6.119 3.062 1.00 0.00 C ATOM 1211 O ILE A 79 -2.262 -6.173 2.689 1.00 0.00 O ATOM 1212 CB ILE A 79 0.447 -6.864 1.242 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.665 -7.008 0.201 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.621 -7.768 0.899 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.820 -5.795 -0.690 1.00 0.00 C ATOM 0 H ILE A 79 -1.467 -8.652 2.038 1.00 0.00 H new ATOM 0 HA ILE A 79 0.741 -7.204 3.353 1.00 0.00 H new ATOM 0 HB ILE A 79 0.794 -5.831 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.460 -7.881 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.609 -7.196 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.990 -7.523 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.418 -7.621 1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.297 -8.809 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.626 -5.968 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.056 -4.923 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.110 -5.619 -1.230 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.620 -5.145 3.833 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.474 -4.058 4.297 1.00 0.00 C ATOM 1229 C GLU A 80 -0.958 -2.711 3.801 1.00 0.00 C ATOM 1230 O GLU A 80 0.227 -2.562 3.496 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.551 -4.056 5.826 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.911 -4.462 6.368 1.00 0.00 C ATOM 1233 CD GLU A 80 -3.322 -5.855 5.929 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -3.960 -5.977 4.863 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.004 -6.821 6.653 1.00 0.00 O ATOM 0 H GLU A 80 0.348 -5.086 4.150 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.473 -4.217 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.795 -4.735 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.306 -3.059 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.891 -4.419 7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.660 -3.744 6.034 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.854 -1.733 3.722 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.489 -0.398 3.264 1.00 0.00 C ATOM 1244 C ILE A 81 -2.229 0.676 4.054 1.00 0.00 C ATOM 1245 O ILE A 81 -3.420 0.543 4.337 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.790 -0.216 1.764 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.208 -1.381 0.960 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.230 1.108 1.269 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.478 -1.284 -0.525 1.00 0.00 C ATOM 0 H ILE A 81 -2.838 -1.840 3.969 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.417 -0.291 3.427 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.871 -0.206 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.131 -1.423 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.624 -2.316 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.451 1.222 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.687 1.927 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.151 1.125 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.037 -2.142 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.554 -1.273 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.038 -0.366 -0.916 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.517 1.741 4.404 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.106 2.841 5.159 1.00 0.00 C ATOM 1263 C VAL A 82 -1.455 4.170 4.793 1.00 0.00 C ATOM 1264 O VAL A 82 -0.294 4.214 4.384 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.971 2.617 6.677 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.748 1.381 7.105 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.506 2.497 7.068 1.00 0.00 C ATOM 0 H VAL A 82 -0.531 1.866 4.177 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.164 2.873 4.897 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.393 3.479 7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.641 1.238 8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.802 1.511 6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.358 0.507 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.428 2.339 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.058 1.653 6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.019 3.413 6.797 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.210 5.253 4.942 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.708 6.586 4.628 1.00 0.00 C ATOM 1279 C LEU A 83 -0.628 7.008 5.619 1.00 0.00 C ATOM 1280 O LEU A 83 -0.809 6.903 6.831 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.852 7.600 4.640 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.840 7.513 3.475 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.128 8.248 3.811 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.217 8.076 2.205 1.00 0.00 C ATOM 0 H LEU A 83 -3.173 5.234 5.279 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.269 6.556 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.407 7.480 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.423 8.602 4.652 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.080 6.464 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.818 8.175 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.583 7.800 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.907 9.297 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.933 8.006 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.948 9.120 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.323 7.505 1.954 1.00 0.00 H new ATOM 1296 N ALA A 84 0.495 7.488 5.093 1.00 0.00 N ATOM 1297 CA ALA A 84 1.602 7.931 5.932 1.00 0.00 C ATOM 1298 C ALA A 84 1.613 9.449 6.071 1.00 0.00 C ATOM 1299 O ALA A 84 1.908 10.168 5.116 1.00 0.00 O ATOM 1300 CB ALA A 84 2.925 7.441 5.361 1.00 0.00 C ATOM 0 H ALA A 84 0.662 7.580 4.091 1.00 0.00 H new ATOM 0 HA ALA A 84 1.467 7.503 6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.743 7.779 5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.923 6.352 5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.058 7.841 4.356 1.00 0.00 H new