USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 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 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -171:sc= -3.42 (180deg=-3.76!) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -51:sc= 1.21 USER MOD Single : A 24 MET CE :methyl -133:sc= -1.88 (180deg=-5.52!) USER MOD Single : A 34 GLN : amide:sc= -2.86 K(o=-2.9,f=-3.6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 44 TYR OH : rot 30:sc=-0.00274 USER MOD Single : A 48 SER OG : rot 175:sc= -0.776 USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= 0.00634 (180deg=-0.0758) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 65 HIS : no HD1:sc= -1.99! C(o=-2!,f=-2!) USER MOD Single : A 73 GLN : amide:sc= -0.321 K(o=-0.32,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.0306 F(o=-1.3,f=-0.031) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 11 7.959 16.365 -11.444 1.00 1.21 N ATOM 146 CA TYR A 11 9.006 17.354 -11.672 1.00 54.50 C ATOM 147 C TYR A 11 9.919 17.472 -10.456 1.00 31.14 C ATOM 148 O TYR A 11 9.468 17.792 -9.356 1.00 2.43 O ATOM 149 CB TYR A 11 8.388 18.716 -11.993 1.00 52.42 C ATOM 150 CG TYR A 11 7.897 18.838 -13.418 1.00 73.31 C ATOM 151 CD1 TYR A 11 8.750 19.246 -14.435 1.00 44.43 C ATOM 152 CD2 TYR A 11 6.579 18.545 -13.747 1.00 61.41 C ATOM 153 CE1 TYR A 11 8.306 19.359 -15.739 1.00 1.44 C ATOM 154 CE2 TYR A 11 6.126 18.653 -15.048 1.00 4.33 C ATOM 155 CZ TYR A 11 6.994 19.061 -16.040 1.00 15.23 C ATOM 156 OH TYR A 11 6.546 19.172 -17.336 1.00 41.13 O ATOM 0 HA TYR A 11 9.604 17.023 -12.521 1.00 54.50 H new ATOM 0 HB2 TYR A 11 7.555 18.897 -11.314 1.00 52.42 H new ATOM 0 HB3 TYR A 11 9.127 19.494 -11.804 1.00 52.42 H new ATOM 0 HD1 TYR A 11 9.779 19.479 -14.203 1.00 44.43 H new ATOM 0 HD2 TYR A 11 5.897 18.227 -12.972 1.00 61.41 H new ATOM 0 HE1 TYR A 11 8.983 19.679 -16.518 1.00 1.44 H new ATOM 0 HE2 TYR A 11 5.099 18.420 -15.287 1.00 4.33 H new ATOM 0 HH TYR A 11 5.599 18.924 -17.377 1.00 41.13 H new ATOM 166 N ARG A 12 11.205 17.210 -10.662 1.00 44.54 N ATOM 167 CA ARG A 12 12.183 17.286 -9.584 1.00 24.12 C ATOM 168 C ARG A 12 12.393 18.731 -9.140 1.00 33.32 C ATOM 169 O ARG A 12 12.450 19.020 -7.945 1.00 53.32 O ATOM 170 CB ARG A 12 13.515 16.680 -10.031 1.00 2.50 C ATOM 171 CG ARG A 12 14.077 17.311 -11.295 1.00 21.03 C ATOM 172 CD ARG A 12 14.761 16.278 -12.176 1.00 71.33 C ATOM 173 NE ARG A 12 15.722 16.888 -13.090 1.00 44.33 N ATOM 174 CZ ARG A 12 16.443 16.198 -13.967 1.00 41.33 C ATOM 175 NH1 ARG A 12 16.311 14.882 -14.049 1.00 22.52 N ATOM 176 NH2 ARG A 12 17.298 16.826 -14.765 1.00 74.44 N ATOM 0 H ARG A 12 11.594 16.943 -11.566 1.00 44.54 H new ATOM 0 HA ARG A 12 11.798 16.717 -8.738 1.00 24.12 H new ATOM 0 HB2 ARG A 12 14.242 16.789 -9.226 1.00 2.50 H new ATOM 0 HB3 ARG A 12 13.381 15.611 -10.197 1.00 2.50 H new ATOM 0 HG2 ARG A 12 13.272 17.791 -11.852 1.00 21.03 H new ATOM 0 HG3 ARG A 12 14.789 18.092 -11.028 1.00 21.03 H new ATOM 0 HD2 ARG A 12 15.271 15.547 -11.548 1.00 71.33 H new ATOM 0 HD3 ARG A 12 14.009 15.736 -12.750 1.00 71.33 H new ATOM 0 HE ARG A 12 15.847 17.900 -13.053 1.00 44.33 H new ATOM 0 HH11 ARG A 12 15.655 14.396 -13.438 1.00 22.52 H new ATOM 0 HH12 ARG A 12 16.866 14.355 -14.723 1.00 22.52 H new ATOM 0 HH21 ARG A 12 17.402 17.839 -14.705 1.00 74.44 H new ATOM 0 HH22 ARG A 12 17.851 16.296 -15.438 1.00 74.44 H new ATOM 190 N GLU A 13 12.507 19.632 -10.110 1.00 50.12 N ATOM 191 CA GLU A 13 12.711 21.046 -9.818 1.00 44.03 C ATOM 192 C GLU A 13 11.653 21.560 -8.847 1.00 32.44 C ATOM 193 O GLU A 13 11.935 22.402 -7.994 1.00 14.01 O ATOM 194 CB GLU A 13 12.675 21.867 -11.109 1.00 64.53 C ATOM 195 CG GLU A 13 14.000 21.890 -11.853 1.00 4.13 C ATOM 196 CD GLU A 13 14.000 22.864 -13.015 1.00 1.33 C ATOM 197 OE1 GLU A 13 13.003 22.892 -13.766 1.00 43.12 O ATOM 198 OE2 GLU A 13 14.998 23.599 -13.172 1.00 15.30 O ATOM 0 H GLU A 13 12.462 19.408 -11.104 1.00 50.12 H new ATOM 0 HA GLU A 13 13.690 21.156 -9.353 1.00 44.03 H new ATOM 0 HB2 GLU A 13 11.906 21.461 -11.766 1.00 64.53 H new ATOM 0 HB3 GLU A 13 12.384 22.890 -10.871 1.00 64.53 H new ATOM 0 HG2 GLU A 13 14.797 22.158 -11.159 1.00 4.13 H new ATOM 0 HG3 GLU A 13 14.222 20.889 -12.223 1.00 4.13 H new ATOM 205 N ILE A 14 10.435 21.046 -8.983 1.00 13.44 N ATOM 206 CA ILE A 14 9.334 21.452 -8.117 1.00 43.32 C ATOM 207 C ILE A 14 9.674 21.218 -6.649 1.00 43.12 C ATOM 208 O ILE A 14 9.056 21.799 -5.758 1.00 55.02 O ATOM 209 CB ILE A 14 8.039 20.693 -8.460 1.00 20.11 C ATOM 210 CG1 ILE A 14 7.588 21.027 -9.883 1.00 71.44 C ATOM 211 CG2 ILE A 14 6.945 21.033 -7.458 1.00 62.55 C ATOM 212 CD1 ILE A 14 7.146 22.463 -10.056 1.00 74.21 C ATOM 0 H ILE A 14 10.186 20.348 -9.684 1.00 13.44 H new ATOM 0 HA ILE A 14 9.176 22.517 -8.285 1.00 43.32 H new ATOM 0 HB ILE A 14 8.237 19.623 -8.404 1.00 20.11 H new ATOM 0 HG12 ILE A 14 8.407 20.822 -10.572 1.00 71.44 H new ATOM 0 HG13 ILE A 14 6.766 20.367 -10.159 1.00 71.44 H new ATOM 0 HG21 ILE A 14 6.036 20.489 -7.714 1.00 62.55 H new ATOM 0 HG22 ILE A 14 7.268 20.750 -6.456 1.00 62.55 H new ATOM 0 HG23 ILE A 14 6.747 22.104 -7.486 1.00 62.55 H new ATOM 0 HD11 ILE A 14 6.840 22.628 -11.089 1.00 74.21 H new ATOM 0 HD12 ILE A 14 6.306 22.668 -9.392 1.00 74.21 H new ATOM 0 HD13 ILE A 14 7.973 23.130 -9.812 1.00 74.21 H new ATOM 224 N MET A 15 10.663 20.364 -6.405 1.00 43.45 N ATOM 225 CA MET A 15 11.088 20.056 -5.045 1.00 20.21 C ATOM 226 C MET A 15 11.335 21.334 -4.249 1.00 74.33 C ATOM 227 O MET A 15 11.244 21.338 -3.022 1.00 51.12 O ATOM 228 CB MET A 15 12.357 19.201 -5.065 1.00 53.14 C ATOM 229 CG MET A 15 13.599 19.968 -5.488 1.00 63.10 C ATOM 230 SD MET A 15 14.883 19.963 -4.221 1.00 54.45 S ATOM 231 CE MET A 15 14.103 20.951 -2.946 1.00 44.15 C ATOM 0 H MET A 15 11.185 19.873 -7.131 1.00 43.45 H new ATOM 0 HA MET A 15 10.289 19.496 -4.560 1.00 20.21 H new ATOM 0 HB2 MET A 15 12.519 18.782 -4.072 1.00 53.14 H new ATOM 0 HB3 MET A 15 12.209 18.362 -5.744 1.00 53.14 H new ATOM 0 HG2 MET A 15 13.996 19.532 -6.404 1.00 63.10 H new ATOM 0 HG3 MET A 15 13.325 20.998 -5.718 1.00 63.10 H new ATOM 0 HE1 MET A 15 14.829 21.174 -2.164 1.00 44.15 H new ATOM 0 HE2 MET A 15 13.738 21.882 -3.379 1.00 44.15 H new ATOM 0 HE3 MET A 15 13.267 20.398 -2.518 1.00 44.15 H new ATOM 241 N GLU A 16 11.647 22.415 -4.957 1.00 13.23 N ATOM 242 CA GLU A 16 11.907 23.698 -4.315 1.00 2.24 C ATOM 243 C GLU A 16 10.735 24.111 -3.429 1.00 40.42 C ATOM 244 O GLU A 16 10.898 24.337 -2.229 1.00 72.31 O ATOM 245 CB GLU A 16 12.170 24.777 -5.368 1.00 21.33 C ATOM 246 CG GLU A 16 13.522 24.646 -6.048 1.00 62.14 C ATOM 247 CD GLU A 16 14.664 24.517 -5.059 1.00 33.24 C ATOM 248 OE1 GLU A 16 14.727 25.336 -4.118 1.00 25.34 O ATOM 249 OE2 GLU A 16 15.493 23.598 -5.225 1.00 12.14 O ATOM 0 H GLU A 16 11.726 22.428 -5.974 1.00 13.23 H new ATOM 0 HA GLU A 16 12.792 23.589 -3.689 1.00 2.24 H new ATOM 0 HB2 GLU A 16 11.386 24.733 -6.124 1.00 21.33 H new ATOM 0 HB3 GLU A 16 12.103 25.757 -4.896 1.00 21.33 H new ATOM 0 HG2 GLU A 16 13.512 23.774 -6.702 1.00 62.14 H new ATOM 0 HG3 GLU A 16 13.692 25.517 -6.681 1.00 62.14 H new ATOM 256 N LEU A 17 9.554 24.210 -4.029 1.00 60.43 N ATOM 257 CA LEU A 17 8.353 24.596 -3.297 1.00 3.24 C ATOM 258 C LEU A 17 7.732 23.393 -2.595 1.00 24.33 C ATOM 259 O LEU A 17 7.367 23.467 -1.421 1.00 32.41 O ATOM 260 CB LEU A 17 7.334 25.229 -4.246 1.00 23.10 C ATOM 261 CG LEU A 17 6.350 26.213 -3.614 1.00 55.53 C ATOM 262 CD1 LEU A 17 6.728 27.645 -3.963 1.00 72.41 C ATOM 263 CD2 LEU A 17 4.928 25.910 -4.066 1.00 44.32 C ATOM 0 H LEU A 17 9.402 24.028 -5.021 1.00 60.43 H new ATOM 0 HA LEU A 17 8.639 25.327 -2.541 1.00 3.24 H new ATOM 0 HB2 LEU A 17 7.877 25.746 -5.037 1.00 23.10 H new ATOM 0 HB3 LEU A 17 6.764 24.430 -4.720 1.00 23.10 H new ATOM 0 HG LEU A 17 6.398 26.100 -2.531 1.00 55.53 H new ATOM 0 HD11 LEU A 17 6.016 28.331 -3.504 1.00 72.41 H new ATOM 0 HD12 LEU A 17 7.730 27.858 -3.590 1.00 72.41 H new ATOM 0 HD13 LEU A 17 6.709 27.773 -5.045 1.00 72.41 H new ATOM 0 HD21 LEU A 17 4.241 26.620 -3.606 1.00 44.32 H new ATOM 0 HD22 LEU A 17 4.865 25.995 -5.151 1.00 44.32 H new ATOM 0 HD23 LEU A 17 4.658 24.898 -3.765 1.00 44.32 H new ATOM 275 N CYS A 18 7.618 22.286 -3.320 1.00 25.43 N ATOM 276 CA CYS A 18 7.043 21.065 -2.766 1.00 62.21 C ATOM 277 C CYS A 18 7.654 20.744 -1.406 1.00 11.43 C ATOM 278 O CYS A 18 6.960 20.301 -0.491 1.00 33.42 O ATOM 279 CB CYS A 18 7.261 19.893 -3.725 1.00 14.40 C ATOM 280 SG CYS A 18 6.748 18.292 -3.062 1.00 34.54 S ATOM 0 H CYS A 18 7.916 22.208 -4.292 1.00 25.43 H new ATOM 0 HA CYS A 18 5.973 21.224 -2.635 1.00 62.21 H new ATOM 0 HB2 CYS A 18 6.712 20.085 -4.647 1.00 14.40 H new ATOM 0 HB3 CYS A 18 8.318 19.844 -3.987 1.00 14.40 H new ATOM 0 HG CYS A 18 6.970 17.365 -3.946 1.00 34.54 H new ATOM 286 N PHE A 19 8.957 20.971 -1.280 1.00 64.40 N ATOM 287 CA PHE A 19 9.663 20.703 -0.032 1.00 52.50 C ATOM 288 C PHE A 19 8.987 21.413 1.137 1.00 13.05 C ATOM 289 O PHE A 19 8.841 20.847 2.221 1.00 1.42 O ATOM 290 CB PHE A 19 11.122 21.151 -0.140 1.00 51.33 C ATOM 291 CG PHE A 19 11.877 21.053 1.154 1.00 31.53 C ATOM 292 CD1 PHE A 19 11.827 19.895 1.914 1.00 32.02 C ATOM 293 CD2 PHE A 19 12.637 22.117 1.611 1.00 21.12 C ATOM 294 CE1 PHE A 19 12.520 19.802 3.106 1.00 30.13 C ATOM 295 CE2 PHE A 19 13.333 22.030 2.802 1.00 31.44 C ATOM 296 CZ PHE A 19 13.275 20.870 3.550 1.00 11.03 C ATOM 0 H PHE A 19 9.546 21.340 -2.027 1.00 64.40 H new ATOM 0 HA PHE A 19 9.633 19.629 0.150 1.00 52.50 H new ATOM 0 HB2 PHE A 19 11.625 20.543 -0.892 1.00 51.33 H new ATOM 0 HB3 PHE A 19 11.152 22.182 -0.491 1.00 51.33 H new ATOM 0 HD1 PHE A 19 11.240 19.056 1.571 1.00 32.02 H new ATOM 0 HD2 PHE A 19 12.686 23.026 1.030 1.00 21.12 H new ATOM 0 HE1 PHE A 19 12.471 18.895 3.690 1.00 30.13 H new ATOM 0 HE2 PHE A 19 13.921 22.867 3.147 1.00 31.44 H new ATOM 0 HZ PHE A 19 13.819 20.798 4.480 1.00 11.03 H new ATOM 306 N VAL A 20 8.576 22.657 0.910 1.00 72.41 N ATOM 307 CA VAL A 20 7.915 23.444 1.943 1.00 13.52 C ATOM 308 C VAL A 20 6.469 22.999 2.134 1.00 63.33 C ATOM 309 O VAL A 20 5.961 22.970 3.255 1.00 72.22 O ATOM 310 CB VAL A 20 7.937 24.947 1.604 1.00 74.32 C ATOM 311 CG1 VAL A 20 7.154 25.740 2.639 1.00 74.31 C ATOM 312 CG2 VAL A 20 9.369 25.450 1.506 1.00 20.45 C ATOM 0 H VAL A 20 8.690 23.141 0.019 1.00 72.41 H new ATOM 0 HA VAL A 20 8.468 23.279 2.868 1.00 13.52 H new ATOM 0 HB VAL A 20 7.459 25.090 0.635 1.00 74.32 H new ATOM 0 HG11 VAL A 20 7.181 26.799 2.383 1.00 74.31 H new ATOM 0 HG12 VAL A 20 6.120 25.397 2.654 1.00 74.31 H new ATOM 0 HG13 VAL A 20 7.599 25.593 3.623 1.00 74.31 H new ATOM 0 HG21 VAL A 20 9.366 26.513 1.266 1.00 20.45 H new ATOM 0 HG22 VAL A 20 9.875 25.295 2.459 1.00 20.45 H new ATOM 0 HG23 VAL A 20 9.894 24.903 0.723 1.00 20.45 H new ATOM 322 N ILE A 21 5.813 22.652 1.032 1.00 70.42 N ATOM 323 CA ILE A 21 4.426 22.205 1.078 1.00 41.51 C ATOM 324 C ILE A 21 4.298 20.885 1.830 1.00 41.02 C ATOM 325 O ILE A 21 3.313 20.651 2.530 1.00 22.14 O ATOM 326 CB ILE A 21 3.842 22.036 -0.337 1.00 52.30 C ATOM 327 CG1 ILE A 21 4.078 23.301 -1.165 1.00 10.45 C ATOM 328 CG2 ILE A 21 2.357 21.716 -0.262 1.00 35.42 C ATOM 329 CD1 ILE A 21 3.650 24.571 -0.463 1.00 14.21 C ATOM 0 H ILE A 21 6.219 22.672 0.097 1.00 70.42 H new ATOM 0 HA ILE A 21 3.863 22.976 1.605 1.00 41.51 H new ATOM 0 HB ILE A 21 4.349 21.204 -0.826 1.00 52.30 H new ATOM 0 HG12 ILE A 21 5.137 23.371 -1.412 1.00 10.45 H new ATOM 0 HG13 ILE A 21 3.536 23.216 -2.107 1.00 10.45 H new ATOM 0 HG21 ILE A 21 1.959 21.599 -1.270 1.00 35.42 H new ATOM 0 HG22 ILE A 21 2.212 20.790 0.295 1.00 35.42 H new ATOM 0 HG23 ILE A 21 1.835 22.529 0.243 1.00 35.42 H new ATOM 0 HD11 ILE A 21 3.847 25.427 -1.108 1.00 14.21 H new ATOM 0 HD12 ILE A 21 2.584 24.522 -0.240 1.00 14.21 H new ATOM 0 HD13 ILE A 21 4.210 24.680 0.465 1.00 14.21 H new ATOM 341 N ARG A 22 5.301 20.026 1.681 1.00 60.13 N ATOM 342 CA ARG A 22 5.301 18.729 2.346 1.00 21.33 C ATOM 343 C ARG A 22 5.364 18.895 3.862 1.00 45.23 C ATOM 344 O ARG A 22 4.872 18.051 4.612 1.00 45.34 O ATOM 345 CB ARG A 22 6.483 17.885 1.865 1.00 1.13 C ATOM 346 CG ARG A 22 6.658 16.587 2.636 1.00 62.31 C ATOM 347 CD ARG A 22 7.800 15.755 2.073 1.00 30.44 C ATOM 348 NE ARG A 22 7.333 14.483 1.528 1.00 24.42 N ATOM 349 CZ ARG A 22 8.147 13.512 1.127 1.00 42.54 C ATOM 350 NH1 ARG A 22 9.461 13.668 1.209 1.00 3.31 N ATOM 351 NH2 ARG A 22 7.647 12.383 0.642 1.00 53.33 N ATOM 0 H ARG A 22 6.124 20.205 1.106 1.00 60.13 H new ATOM 0 HA ARG A 22 4.372 18.219 2.092 1.00 21.33 H new ATOM 0 HB2 ARG A 22 6.348 17.655 0.808 1.00 1.13 H new ATOM 0 HB3 ARG A 22 7.397 18.473 1.949 1.00 1.13 H new ATOM 0 HG2 ARG A 22 6.851 16.809 3.686 1.00 62.31 H new ATOM 0 HG3 ARG A 22 5.733 16.012 2.597 1.00 62.31 H new ATOM 0 HD2 ARG A 22 8.309 16.319 1.291 1.00 30.44 H new ATOM 0 HD3 ARG A 22 8.532 15.566 2.858 1.00 30.44 H new ATOM 0 HE ARG A 22 6.327 14.332 1.451 1.00 24.42 H new ATOM 0 HH11 ARG A 22 9.849 14.535 1.581 1.00 3.31 H new ATOM 0 HH12 ARG A 22 10.083 12.921 0.901 1.00 3.31 H new ATOM 0 HH21 ARG A 22 6.637 12.259 0.576 1.00 53.33 H new ATOM 0 HH22 ARG A 22 8.273 11.639 0.335 1.00 53.33 H new ATOM 365 N THR A 23 5.974 19.990 4.307 1.00 64.52 N ATOM 366 CA THR A 23 6.104 20.266 5.732 1.00 51.32 C ATOM 367 C THR A 23 4.758 20.633 6.345 1.00 35.14 C ATOM 368 O THR A 23 4.455 20.250 7.475 1.00 31.10 O ATOM 369 CB THR A 23 7.103 21.409 5.994 1.00 52.24 C ATOM 370 OG1 THR A 23 6.475 22.673 5.752 1.00 42.41 O ATOM 371 CG2 THR A 23 8.330 21.269 5.106 1.00 24.12 C ATOM 0 H THR A 23 6.385 20.700 3.701 1.00 64.52 H new ATOM 0 HA THR A 23 6.476 19.354 6.198 1.00 51.32 H new ATOM 0 HB THR A 23 7.419 21.354 7.036 1.00 52.24 H new ATOM 0 HG1 THR A 23 6.048 22.663 4.870 1.00 42.41 H new ATOM 0 HG21 THR A 23 9.021 22.087 5.309 1.00 24.12 H new ATOM 0 HG22 THR A 23 8.822 20.319 5.313 1.00 24.12 H new ATOM 0 HG23 THR A 23 8.027 21.301 4.059 1.00 24.12 H new ATOM 379 N MET A 24 3.953 21.376 5.593 1.00 14.44 N ATOM 380 CA MET A 24 2.637 21.793 6.064 1.00 74.11 C ATOM 381 C MET A 24 1.648 20.633 6.009 1.00 35.12 C ATOM 382 O MET A 24 1.057 20.260 7.023 1.00 65.13 O ATOM 383 CB MET A 24 2.117 22.961 5.224 1.00 42.22 C ATOM 384 CG MET A 24 2.801 24.283 5.533 1.00 15.34 C ATOM 385 SD MET A 24 2.412 24.896 7.184 1.00 52.41 S ATOM 386 CE MET A 24 0.626 25.002 7.094 1.00 41.53 C ATOM 0 H MET A 24 4.188 21.702 4.655 1.00 14.44 H new ATOM 0 HA MET A 24 2.735 22.116 7.100 1.00 74.11 H new ATOM 0 HB2 MET A 24 2.255 22.728 4.168 1.00 42.22 H new ATOM 0 HB3 MET A 24 1.045 23.068 5.390 1.00 42.22 H new ATOM 0 HG2 MET A 24 3.880 24.160 5.440 1.00 15.34 H new ATOM 0 HG3 MET A 24 2.500 25.025 4.794 1.00 15.34 H new ATOM 0 HE1 MET A 24 0.298 25.965 7.486 1.00 41.53 H new ATOM 0 HE2 MET A 24 0.308 24.906 6.056 1.00 41.53 H new ATOM 0 HE3 MET A 24 0.184 24.200 7.685 1.00 41.53 H new ATOM 536 N ILE A 33 -0.714 17.260 -2.900 1.00 3.23 N ATOM 537 CA ILE A 33 -0.634 18.172 -1.765 1.00 30.40 C ATOM 538 C ILE A 33 -1.330 19.493 -2.071 1.00 52.25 C ATOM 539 O ILE A 33 -1.328 19.956 -3.212 1.00 14.54 O ATOM 540 CB ILE A 33 0.828 18.454 -1.371 1.00 31.41 C ATOM 541 CG1 ILE A 33 1.690 17.211 -1.604 1.00 4.44 C ATOM 542 CG2 ILE A 33 0.909 18.897 0.082 1.00 33.43 C ATOM 543 CD1 ILE A 33 3.131 17.388 -1.178 1.00 63.04 C ATOM 0 HA ILE A 33 -1.138 17.683 -0.932 1.00 30.40 H new ATOM 0 HB ILE A 33 1.209 19.260 -1.998 1.00 31.41 H new ATOM 0 HG12 ILE A 33 1.259 16.372 -1.058 1.00 4.44 H new ATOM 0 HG13 ILE A 33 1.661 16.952 -2.662 1.00 4.44 H new ATOM 0 HG21 ILE A 33 1.948 19.092 0.345 1.00 33.43 H new ATOM 0 HG22 ILE A 33 0.323 19.806 0.218 1.00 33.43 H new ATOM 0 HG23 ILE A 33 0.514 18.110 0.725 1.00 33.43 H new ATOM 0 HD11 ILE A 33 3.683 16.468 -1.372 1.00 63.04 H new ATOM 0 HD12 ILE A 33 3.579 18.206 -1.742 1.00 63.04 H new ATOM 0 HD13 ILE A 33 3.170 17.617 -0.113 1.00 63.04 H new ATOM 555 N GLN A 34 -1.923 20.095 -1.045 1.00 42.45 N ATOM 556 CA GLN A 34 -2.622 21.365 -1.206 1.00 21.05 C ATOM 557 C GLN A 34 -2.540 22.196 0.071 1.00 50.14 C ATOM 558 O GLN A 34 -2.639 21.665 1.177 1.00 45.30 O ATOM 559 CB GLN A 34 -4.086 21.122 -1.577 1.00 23.00 C ATOM 560 CG GLN A 34 -4.264 20.352 -2.876 1.00 11.14 C ATOM 561 CD GLN A 34 -4.202 18.850 -2.677 1.00 44.41 C ATOM 562 OE1 GLN A 34 -3.433 18.156 -3.343 1.00 52.01 O ATOM 563 NE2 GLN A 34 -5.012 18.340 -1.757 1.00 50.41 N ATOM 0 H GLN A 34 -1.934 19.725 -0.095 1.00 42.45 H new ATOM 0 HA GLN A 34 -2.138 21.919 -2.011 1.00 21.05 H new ATOM 0 HB2 GLN A 34 -4.571 20.573 -0.770 1.00 23.00 H new ATOM 0 HB3 GLN A 34 -4.595 22.082 -1.661 1.00 23.00 H new ATOM 0 HG2 GLN A 34 -5.223 20.616 -3.322 1.00 11.14 H new ATOM 0 HG3 GLN A 34 -3.490 20.654 -3.582 1.00 11.14 H new ATOM 0 HE21 GLN A 34 -5.633 18.953 -1.228 1.00 50.41 H new ATOM 0 HE22 GLN A 34 -5.013 17.336 -1.579 1.00 50.41 H new ATOM 572 N VAL A 35 -2.359 23.503 -0.091 1.00 2.12 N ATOM 573 CA VAL A 35 -2.264 24.408 1.048 1.00 13.33 C ATOM 574 C VAL A 35 -2.705 25.817 0.668 1.00 2.54 C ATOM 575 O VAL A 35 -2.559 26.238 -0.480 1.00 25.01 O ATOM 576 CB VAL A 35 -0.829 24.463 1.604 1.00 41.10 C ATOM 577 CG1 VAL A 35 -0.514 23.203 2.395 1.00 21.22 C ATOM 578 CG2 VAL A 35 0.172 24.658 0.475 1.00 31.01 C ATOM 0 H VAL A 35 -2.275 23.958 -1.000 1.00 2.12 H new ATOM 0 HA VAL A 35 -2.929 24.018 1.819 1.00 13.33 H new ATOM 0 HB VAL A 35 -0.752 25.315 2.279 1.00 41.10 H new ATOM 0 HG11 VAL A 35 0.504 23.260 2.780 1.00 21.22 H new ATOM 0 HG12 VAL A 35 -1.212 23.112 3.227 1.00 21.22 H new ATOM 0 HG13 VAL A 35 -0.608 22.333 1.746 1.00 21.22 H new ATOM 0 HG21 VAL A 35 1.181 24.695 0.886 1.00 31.01 H new ATOM 0 HG22 VAL A 35 0.096 23.827 -0.226 1.00 31.01 H new ATOM 0 HG23 VAL A 35 -0.043 25.592 -0.044 1.00 31.01 H new ATOM 588 N THR A 36 -3.245 26.545 1.641 1.00 52.20 N ATOM 589 CA THR A 36 -3.708 27.908 1.409 1.00 30.42 C ATOM 590 C THR A 36 -2.554 28.901 1.486 1.00 71.34 C ATOM 591 O THR A 36 -1.519 28.620 2.091 1.00 14.21 O ATOM 592 CB THR A 36 -4.789 28.315 2.428 1.00 30.42 C ATOM 593 OG1 THR A 36 -4.384 27.939 3.749 1.00 25.21 O ATOM 594 CG2 THR A 36 -6.121 27.659 2.095 1.00 2.13 C ATOM 0 H THR A 36 -3.372 26.213 2.597 1.00 52.20 H new ATOM 0 HA THR A 36 -4.137 27.930 0.407 1.00 30.42 H new ATOM 0 HB THR A 36 -4.912 29.397 2.380 1.00 30.42 H new ATOM 0 HG1 THR A 36 -5.076 28.203 4.391 1.00 25.21 H new ATOM 0 HG21 THR A 36 -6.869 27.961 2.828 1.00 2.13 H new ATOM 0 HG22 THR A 36 -6.441 27.970 1.101 1.00 2.13 H new ATOM 0 HG23 THR A 36 -6.008 26.575 2.117 1.00 2.13 H new ATOM 602 N PHE A 37 -2.738 30.063 0.869 1.00 52.24 N ATOM 603 CA PHE A 37 -1.711 31.099 0.867 1.00 75.33 C ATOM 604 C PHE A 37 -1.309 31.468 2.291 1.00 11.24 C ATOM 605 O PHE A 37 -0.125 31.500 2.625 1.00 15.05 O ATOM 606 CB PHE A 37 -2.212 32.341 0.127 1.00 1.45 C ATOM 607 CG PHE A 37 -1.412 33.578 0.424 1.00 73.10 C ATOM 608 CD1 PHE A 37 -0.028 33.549 0.384 1.00 5.42 C ATOM 609 CD2 PHE A 37 -2.045 34.769 0.742 1.00 73.41 C ATOM 610 CE1 PHE A 37 0.710 34.686 0.657 1.00 25.55 C ATOM 611 CE2 PHE A 37 -1.312 35.908 1.016 1.00 55.24 C ATOM 612 CZ PHE A 37 0.067 35.867 0.972 1.00 23.43 C ATOM 0 H PHE A 37 -3.589 30.311 0.364 1.00 52.24 H new ATOM 0 HA PHE A 37 -0.834 30.707 0.351 1.00 75.33 H new ATOM 0 HB2 PHE A 37 -2.187 32.150 -0.946 1.00 1.45 H new ATOM 0 HB3 PHE A 37 -3.254 32.518 0.395 1.00 1.45 H new ATOM 0 HD1 PHE A 37 0.480 32.629 0.137 1.00 5.42 H new ATOM 0 HD2 PHE A 37 -3.124 34.808 0.776 1.00 73.41 H new ATOM 0 HE1 PHE A 37 1.789 34.651 0.624 1.00 25.55 H new ATOM 0 HE2 PHE A 37 -1.818 36.829 1.264 1.00 55.24 H new ATOM 0 HZ PHE A 37 0.642 36.756 1.183 1.00 23.43 H new ATOM 622 N GLY A 38 -2.304 31.748 3.128 1.00 74.23 N ATOM 623 CA GLY A 38 -2.035 32.112 4.506 1.00 2.32 C ATOM 624 C GLY A 38 -1.114 31.126 5.197 1.00 33.03 C ATOM 625 O GLY A 38 -0.146 31.521 5.846 1.00 51.22 O ATOM 0 H GLY A 38 -3.292 31.729 2.875 1.00 74.23 H new ATOM 0 HA2 GLY A 38 -1.587 33.105 4.535 1.00 2.32 H new ATOM 0 HA3 GLY A 38 -2.976 32.171 5.053 1.00 2.32 H new ATOM 629 N GLU A 39 -1.418 29.839 5.060 1.00 43.04 N ATOM 630 CA GLU A 39 -0.611 28.794 5.679 1.00 43.23 C ATOM 631 C GLU A 39 0.793 28.764 5.080 1.00 75.21 C ATOM 632 O GLU A 39 1.789 28.780 5.803 1.00 23.24 O ATOM 633 CB GLU A 39 -1.281 27.430 5.504 1.00 73.01 C ATOM 634 CG GLU A 39 -2.243 27.076 6.625 1.00 15.55 C ATOM 635 CD GLU A 39 -3.104 25.871 6.298 1.00 3.41 C ATOM 636 OE1 GLU A 39 -3.242 25.548 5.100 1.00 44.01 O ATOM 637 OE2 GLU A 39 -3.639 25.252 7.241 1.00 22.51 O ATOM 0 H GLU A 39 -2.216 29.495 4.526 1.00 43.04 H new ATOM 0 HA GLU A 39 -0.529 29.016 6.743 1.00 43.23 H new ATOM 0 HB2 GLU A 39 -1.820 27.418 4.557 1.00 73.01 H new ATOM 0 HB3 GLU A 39 -0.511 26.662 5.442 1.00 73.01 H new ATOM 0 HG2 GLU A 39 -1.677 26.877 7.535 1.00 15.55 H new ATOM 0 HG3 GLU A 39 -2.886 27.932 6.831 1.00 15.55 H new ATOM 644 N LEU A 40 0.863 28.719 3.754 1.00 15.40 N ATOM 645 CA LEU A 40 2.143 28.686 3.056 1.00 1.22 C ATOM 646 C LEU A 40 3.032 29.847 3.493 1.00 74.40 C ATOM 647 O LEU A 40 4.173 29.646 3.907 1.00 5.13 O ATOM 648 CB LEU A 40 1.923 28.739 1.543 1.00 24.33 C ATOM 649 CG LEU A 40 2.458 27.549 0.746 1.00 65.14 C ATOM 650 CD1 LEU A 40 2.139 27.710 -0.732 1.00 74.14 C ATOM 651 CD2 LEU A 40 3.958 27.397 0.955 1.00 1.42 C ATOM 0 H LEU A 40 0.048 28.705 3.141 1.00 15.40 H new ATOM 0 HA LEU A 40 2.644 27.752 3.312 1.00 1.22 H new ATOM 0 HB2 LEU A 40 0.853 28.826 1.354 1.00 24.33 H new ATOM 0 HB3 LEU A 40 2.389 29.647 1.160 1.00 24.33 H new ATOM 0 HG LEU A 40 1.967 26.645 1.107 1.00 65.14 H new ATOM 0 HD11 LEU A 40 2.527 26.854 -1.283 1.00 74.14 H new ATOM 0 HD12 LEU A 40 1.059 27.769 -0.867 1.00 74.14 H new ATOM 0 HD13 LEU A 40 2.602 28.623 -1.107 1.00 74.14 H new ATOM 0 HD21 LEU A 40 4.321 26.545 0.380 1.00 1.42 H new ATOM 0 HD22 LEU A 40 4.465 28.302 0.622 1.00 1.42 H new ATOM 0 HD23 LEU A 40 4.163 27.235 2.013 1.00 1.42 H new ATOM 663 N PHE A 41 2.499 31.061 3.399 1.00 20.54 N ATOM 664 CA PHE A 41 3.243 32.254 3.786 1.00 20.40 C ATOM 665 C PHE A 41 3.707 32.159 5.236 1.00 25.34 C ATOM 666 O PHE A 41 4.881 32.377 5.539 1.00 15.34 O ATOM 667 CB PHE A 41 2.380 33.503 3.596 1.00 70.32 C ATOM 668 CG PHE A 41 3.172 34.778 3.557 1.00 51.31 C ATOM 669 CD1 PHE A 41 3.735 35.224 2.372 1.00 54.02 C ATOM 670 CD2 PHE A 41 3.353 35.532 4.705 1.00 22.03 C ATOM 671 CE1 PHE A 41 4.464 36.397 2.334 1.00 44.14 C ATOM 672 CE2 PHE A 41 4.082 36.706 4.673 1.00 12.21 C ATOM 673 CZ PHE A 41 4.637 37.140 3.485 1.00 22.33 C ATOM 0 H PHE A 41 1.555 31.244 3.058 1.00 20.54 H new ATOM 0 HA PHE A 41 4.122 32.327 3.146 1.00 20.40 H new ATOM 0 HB2 PHE A 41 1.815 33.407 2.669 1.00 70.32 H new ATOM 0 HB3 PHE A 41 1.654 33.560 4.407 1.00 70.32 H new ATOM 0 HD1 PHE A 41 3.602 34.648 1.468 1.00 54.02 H new ATOM 0 HD2 PHE A 41 2.919 35.199 5.636 1.00 22.03 H new ATOM 0 HE1 PHE A 41 4.899 36.733 1.404 1.00 44.14 H new ATOM 0 HE2 PHE A 41 4.217 37.283 5.576 1.00 12.21 H new ATOM 0 HZ PHE A 41 5.205 38.058 3.456 1.00 22.33 H new ATOM 683 N ASP A 42 2.779 31.832 6.128 1.00 32.13 N ATOM 684 CA ASP A 42 3.092 31.707 7.547 1.00 13.32 C ATOM 685 C ASP A 42 4.188 30.671 7.773 1.00 61.11 C ATOM 686 O ASP A 42 4.827 30.648 8.825 1.00 30.10 O ATOM 687 CB ASP A 42 1.839 31.322 8.336 1.00 51.53 C ATOM 688 CG ASP A 42 1.207 32.510 9.034 1.00 13.31 C ATOM 689 OD1 ASP A 42 1.055 33.568 8.387 1.00 74.32 O ATOM 690 OD2 ASP A 42 0.863 32.382 10.228 1.00 43.53 O ATOM 0 H ASP A 42 1.803 31.649 5.894 1.00 32.13 H new ATOM 0 HA ASP A 42 3.452 32.673 7.900 1.00 13.32 H new ATOM 0 HB2 ASP A 42 1.112 30.872 7.660 1.00 51.53 H new ATOM 0 HB3 ASP A 42 2.098 30.565 9.076 1.00 51.53 H new ATOM 695 N ARG A 43 4.400 29.815 6.779 1.00 74.42 N ATOM 696 CA ARG A 43 5.417 28.774 6.870 1.00 50.31 C ATOM 697 C ARG A 43 6.721 29.231 6.223 1.00 41.13 C ATOM 698 O ARG A 43 7.809 28.875 6.676 1.00 1.11 O ATOM 699 CB ARG A 43 4.925 27.490 6.200 1.00 41.12 C ATOM 700 CG ARG A 43 6.022 26.463 5.973 1.00 61.13 C ATOM 701 CD ARG A 43 6.657 26.027 7.284 1.00 60.21 C ATOM 702 NE ARG A 43 6.294 24.657 7.639 1.00 43.32 N ATOM 703 CZ ARG A 43 6.692 24.058 8.755 1.00 21.43 C ATOM 704 NH1 ARG A 43 7.461 24.704 9.621 1.00 60.40 N ATOM 705 NH2 ARG A 43 6.320 22.809 9.008 1.00 43.20 N ATOM 0 H ARG A 43 3.881 29.822 5.901 1.00 74.42 H new ATOM 0 HA ARG A 43 5.605 28.575 7.925 1.00 50.31 H new ATOM 0 HB2 ARG A 43 4.144 27.045 6.816 1.00 41.12 H new ATOM 0 HB3 ARG A 43 4.470 27.741 5.242 1.00 41.12 H new ATOM 0 HG2 ARG A 43 5.608 25.594 5.461 1.00 61.13 H new ATOM 0 HG3 ARG A 43 6.786 26.884 5.320 1.00 61.13 H new ATOM 0 HD2 ARG A 43 7.741 26.106 7.206 1.00 60.21 H new ATOM 0 HD3 ARG A 43 6.345 26.703 8.080 1.00 60.21 H new ATOM 0 HE ARG A 43 5.703 24.132 6.994 1.00 43.32 H new ATOM 0 HH11 ARG A 43 7.748 25.664 9.431 1.00 60.40 H new ATOM 0 HH12 ARG A 43 7.765 24.241 10.477 1.00 60.40 H new ATOM 0 HH21 ARG A 43 5.728 22.309 8.345 1.00 43.20 H new ATOM 0 HH22 ARG A 43 6.626 22.349 9.866 1.00 43.20 H new ATOM 719 N TYR A 44 6.604 30.021 5.161 1.00 74.51 N ATOM 720 CA TYR A 44 7.773 30.524 4.449 1.00 34.44 C ATOM 721 C TYR A 44 8.397 31.701 5.192 1.00 41.14 C ATOM 722 O TYR A 44 9.588 31.979 5.049 1.00 10.02 O ATOM 723 CB TYR A 44 7.389 30.946 3.030 1.00 2.32 C ATOM 724 CG TYR A 44 7.904 30.011 1.960 1.00 44.13 C ATOM 725 CD1 TYR A 44 9.157 30.201 1.388 1.00 54.00 C ATOM 726 CD2 TYR A 44 7.139 28.938 1.519 1.00 2.43 C ATOM 727 CE1 TYR A 44 9.631 29.350 0.409 1.00 24.41 C ATOM 728 CE2 TYR A 44 7.607 28.081 0.542 1.00 15.11 C ATOM 729 CZ TYR A 44 8.853 28.291 -0.010 1.00 70.10 C ATOM 730 OH TYR A 44 9.321 27.440 -0.985 1.00 5.02 O ATOM 0 H TYR A 44 5.711 30.327 4.774 1.00 74.51 H new ATOM 0 HA TYR A 44 8.508 29.721 4.395 1.00 34.44 H new ATOM 0 HB2 TYR A 44 6.303 31.003 2.958 1.00 2.32 H new ATOM 0 HB3 TYR A 44 7.774 31.948 2.841 1.00 2.32 H new ATOM 0 HD1 TYR A 44 9.770 31.028 1.715 1.00 54.00 H new ATOM 0 HD2 TYR A 44 6.162 28.771 1.947 1.00 2.43 H new ATOM 0 HE1 TYR A 44 10.606 29.513 -0.026 1.00 24.41 H new ATOM 0 HE2 TYR A 44 7.000 27.251 0.212 1.00 15.11 H new ATOM 0 HH TYR A 44 10.299 27.395 -0.938 1.00 5.02 H new ATOM 740 N VAL A 45 7.584 32.390 5.986 1.00 53.34 N ATOM 741 CA VAL A 45 8.055 33.537 6.753 1.00 52.23 C ATOM 742 C VAL A 45 9.232 33.156 7.644 1.00 54.30 C ATOM 743 O VAL A 45 10.077 33.992 7.963 1.00 24.14 O ATOM 744 CB VAL A 45 6.932 34.127 7.627 1.00 24.23 C ATOM 745 CG1 VAL A 45 5.845 34.741 6.759 1.00 61.24 C ATOM 746 CG2 VAL A 45 6.355 33.059 8.543 1.00 34.44 C ATOM 0 H VAL A 45 6.596 32.174 6.115 1.00 53.34 H new ATOM 0 HA VAL A 45 8.377 34.289 6.033 1.00 52.23 H new ATOM 0 HB VAL A 45 7.355 34.917 8.248 1.00 24.23 H new ATOM 0 HG11 VAL A 45 5.061 35.152 7.395 1.00 61.24 H new ATOM 0 HG12 VAL A 45 6.273 35.537 6.149 1.00 61.24 H new ATOM 0 HG13 VAL A 45 5.421 33.975 6.110 1.00 61.24 H new ATOM 0 HG21 VAL A 45 5.563 33.493 9.154 1.00 34.44 H new ATOM 0 HG22 VAL A 45 5.947 32.246 7.942 1.00 34.44 H new ATOM 0 HG23 VAL A 45 7.141 32.672 9.191 1.00 34.44 H new ATOM 756 N ARG A 46 9.279 31.889 8.042 1.00 45.20 N ATOM 757 CA ARG A 46 10.353 31.397 8.897 1.00 14.24 C ATOM 758 C ARG A 46 11.522 30.885 8.062 1.00 3.10 C ATOM 759 O ARG A 46 12.440 30.252 8.584 1.00 21.41 O ATOM 760 CB ARG A 46 9.836 30.282 9.809 1.00 45.30 C ATOM 761 CG ARG A 46 10.562 30.201 11.142 1.00 20.31 C ATOM 762 CD ARG A 46 10.199 28.931 11.897 1.00 43.41 C ATOM 763 NE ARG A 46 11.300 27.971 11.914 1.00 53.31 N ATOM 764 CZ ARG A 46 11.233 26.787 12.513 1.00 50.53 C ATOM 765 NH1 ARG A 46 10.124 26.420 13.140 1.00 62.42 N ATOM 766 NH2 ARG A 46 12.277 25.969 12.484 1.00 34.55 N ATOM 0 H ARG A 46 8.587 31.185 7.786 1.00 45.20 H new ATOM 0 HA ARG A 46 10.704 32.226 9.511 1.00 14.24 H new ATOM 0 HB2 ARG A 46 8.773 30.438 9.993 1.00 45.30 H new ATOM 0 HB3 ARG A 46 9.934 29.327 9.293 1.00 45.30 H new ATOM 0 HG2 ARG A 46 11.639 30.231 10.974 1.00 20.31 H new ATOM 0 HG3 ARG A 46 10.310 31.071 11.748 1.00 20.31 H new ATOM 0 HD2 ARG A 46 9.923 29.184 12.921 1.00 43.41 H new ATOM 0 HD3 ARG A 46 9.325 28.472 11.435 1.00 43.41 H new ATOM 0 HE ARG A 46 12.167 28.223 11.440 1.00 53.31 H new ATOM 0 HH11 ARG A 46 9.320 27.047 13.163 1.00 62.42 H new ATOM 0 HH12 ARG A 46 10.075 25.511 13.599 1.00 62.42 H new ATOM 0 HH21 ARG A 46 13.131 26.249 12.002 1.00 34.55 H new ATOM 0 HH22 ARG A 46 12.226 25.060 12.944 1.00 34.55 H new ATOM 780 N ILE A 47 11.482 31.164 6.763 1.00 32.54 N ATOM 781 CA ILE A 47 12.538 30.732 5.857 1.00 62.33 C ATOM 782 C ILE A 47 13.003 31.880 4.968 1.00 50.04 C ATOM 783 O ILE A 47 14.108 32.398 5.131 1.00 32.43 O ATOM 784 CB ILE A 47 12.074 29.564 4.967 1.00 73.32 C ATOM 785 CG1 ILE A 47 11.678 28.363 5.829 1.00 64.13 C ATOM 786 CG2 ILE A 47 13.169 29.179 3.983 1.00 11.13 C ATOM 787 CD1 ILE A 47 10.799 27.365 5.108 1.00 12.32 C ATOM 0 H ILE A 47 10.730 31.687 6.315 1.00 32.54 H new ATOM 0 HA ILE A 47 13.369 30.397 6.478 1.00 62.33 H new ATOM 0 HB ILE A 47 11.200 29.884 4.400 1.00 73.32 H new ATOM 0 HG12 ILE A 47 12.581 27.858 6.172 1.00 64.13 H new ATOM 0 HG13 ILE A 47 11.156 28.720 6.717 1.00 64.13 H new ATOM 0 HG21 ILE A 47 12.825 28.352 3.361 1.00 11.13 H new ATOM 0 HG22 ILE A 47 13.407 30.034 3.350 1.00 11.13 H new ATOM 0 HG23 ILE A 47 14.060 28.874 4.531 1.00 11.13 H new ATOM 0 HD11 ILE A 47 10.558 26.541 5.779 1.00 12.32 H new ATOM 0 HD12 ILE A 47 9.879 27.854 4.789 1.00 12.32 H new ATOM 0 HD13 ILE A 47 11.326 26.980 4.235 1.00 12.32 H new ATOM 799 N SER A 48 12.151 32.275 4.027 1.00 61.23 N ATOM 800 CA SER A 48 12.475 33.361 3.110 1.00 50.34 C ATOM 801 C SER A 48 11.417 34.459 3.172 1.00 32.41 C ATOM 802 O SER A 48 11.719 35.638 2.992 1.00 13.40 O ATOM 803 CB SER A 48 12.593 32.832 1.679 1.00 33.51 C ATOM 804 OG SER A 48 13.720 33.384 1.022 1.00 23.30 O ATOM 0 H SER A 48 11.231 31.859 3.880 1.00 61.23 H new ATOM 0 HA SER A 48 13.432 33.785 3.413 1.00 50.34 H new ATOM 0 HB2 SER A 48 12.674 31.745 1.695 1.00 33.51 H new ATOM 0 HB3 SER A 48 11.688 33.076 1.122 1.00 33.51 H new ATOM 0 HG SER A 48 13.820 32.969 0.140 1.00 23.30 H new ATOM 810 N ASP A 49 10.176 34.061 3.428 1.00 34.44 N ATOM 811 CA ASP A 49 9.071 35.009 3.516 1.00 23.01 C ATOM 812 C ASP A 49 8.767 35.617 2.150 1.00 23.14 C ATOM 813 O ASP A 49 8.861 36.830 1.964 1.00 42.31 O ATOM 814 CB ASP A 49 9.400 36.116 4.519 1.00 31.22 C ATOM 815 CG ASP A 49 8.163 36.850 4.997 1.00 13.20 C ATOM 816 OD1 ASP A 49 7.445 37.420 4.148 1.00 63.22 O ATOM 817 OD2 ASP A 49 7.911 36.855 6.220 1.00 22.40 O ATOM 0 H ASP A 49 9.910 33.088 3.578 1.00 34.44 H new ATOM 0 HA ASP A 49 8.188 34.470 3.858 1.00 23.01 H new ATOM 0 HB2 ASP A 49 9.917 35.684 5.376 1.00 31.22 H new ATOM 0 HB3 ASP A 49 10.086 36.827 4.059 1.00 31.22 H new ATOM 822 N LYS A 50 8.404 34.766 1.197 1.00 35.43 N ATOM 823 CA LYS A 50 8.085 35.217 -0.152 1.00 43.30 C ATOM 824 C LYS A 50 7.588 34.059 -1.010 1.00 73.25 C ATOM 825 O LYS A 50 7.940 33.947 -2.185 1.00 24.14 O ATOM 826 CB LYS A 50 9.315 35.856 -0.802 1.00 22.24 C ATOM 827 CG LYS A 50 10.436 34.870 -1.082 1.00 73.44 C ATOM 828 CD LYS A 50 11.705 35.241 -0.335 1.00 25.42 C ATOM 829 CE LYS A 50 12.221 36.608 -0.756 1.00 41.13 C ATOM 830 NZ LYS A 50 12.221 37.574 0.377 1.00 44.31 N ATOM 0 H LYS A 50 8.323 33.759 1.334 1.00 35.43 H new ATOM 0 HA LYS A 50 7.291 35.960 -0.081 1.00 43.30 H new ATOM 0 HB2 LYS A 50 9.017 36.329 -1.737 1.00 22.24 H new ATOM 0 HB3 LYS A 50 9.691 36.645 -0.151 1.00 22.24 H new ATOM 0 HG2 LYS A 50 10.121 33.868 -0.791 1.00 73.44 H new ATOM 0 HG3 LYS A 50 10.638 34.842 -2.153 1.00 73.44 H new ATOM 0 HD2 LYS A 50 11.511 35.239 0.738 1.00 25.42 H new ATOM 0 HD3 LYS A 50 12.471 34.489 -0.522 1.00 25.42 H new ATOM 0 HE2 LYS A 50 13.233 36.509 -1.149 1.00 41.13 H new ATOM 0 HE3 LYS A 50 11.602 36.997 -1.565 1.00 41.13 H new ATOM 0 HZ1 LYS A 50 12.998 38.254 0.254 1.00 44.31 H new ATOM 0 HZ2 LYS A 50 11.315 38.084 0.398 1.00 44.31 H new ATOM 0 HZ3 LYS A 50 12.350 37.060 1.272 1.00 44.31 H new ATOM 844 N VAL A 51 6.765 33.199 -0.417 1.00 41.44 N ATOM 845 CA VAL A 51 6.217 32.051 -1.129 1.00 31.23 C ATOM 846 C VAL A 51 5.534 32.480 -2.422 1.00 52.42 C ATOM 847 O VAL A 51 5.727 31.867 -3.472 1.00 50.53 O ATOM 848 CB VAL A 51 5.206 31.282 -0.258 1.00 34.20 C ATOM 849 CG1 VAL A 51 4.133 32.222 0.272 1.00 64.32 C ATOM 850 CG2 VAL A 51 4.583 30.140 -1.048 1.00 11.44 C ATOM 0 H VAL A 51 6.464 33.276 0.554 1.00 41.44 H new ATOM 0 HA VAL A 51 7.055 31.396 -1.365 1.00 31.23 H new ATOM 0 HB VAL A 51 5.736 30.858 0.594 1.00 34.20 H new ATOM 0 HG11 VAL A 51 3.428 31.661 0.885 1.00 64.32 H new ATOM 0 HG12 VAL A 51 4.598 33.002 0.875 1.00 64.32 H new ATOM 0 HG13 VAL A 51 3.603 32.678 -0.564 1.00 64.32 H new ATOM 0 HG21 VAL A 51 3.871 29.607 -0.417 1.00 11.44 H new ATOM 0 HG22 VAL A 51 4.066 30.540 -1.920 1.00 11.44 H new ATOM 0 HG23 VAL A 51 5.365 29.453 -1.373 1.00 11.44 H new ATOM 860 N VAL A 52 4.734 33.539 -2.339 1.00 71.14 N ATOM 861 CA VAL A 52 4.023 34.053 -3.504 1.00 34.51 C ATOM 862 C VAL A 52 4.982 34.327 -4.657 1.00 13.13 C ATOM 863 O VAL A 52 4.686 34.019 -5.811 1.00 25.15 O ATOM 864 CB VAL A 52 3.257 35.346 -3.168 1.00 51.13 C ATOM 865 CG1 VAL A 52 2.666 35.959 -4.429 1.00 15.05 C ATOM 866 CG2 VAL A 52 2.171 35.070 -2.139 1.00 51.34 C ATOM 0 H VAL A 52 4.562 34.057 -1.477 1.00 71.14 H new ATOM 0 HA VAL A 52 3.310 33.285 -3.804 1.00 34.51 H new ATOM 0 HB VAL A 52 3.958 36.062 -2.739 1.00 51.13 H new ATOM 0 HG11 VAL A 52 2.128 36.872 -4.172 1.00 15.05 H new ATOM 0 HG12 VAL A 52 3.468 36.195 -5.129 1.00 15.05 H new ATOM 0 HG13 VAL A 52 1.978 35.250 -4.890 1.00 15.05 H new ATOM 0 HG21 VAL A 52 1.640 35.995 -1.913 1.00 51.34 H new ATOM 0 HG22 VAL A 52 1.470 34.337 -2.538 1.00 51.34 H new ATOM 0 HG23 VAL A 52 2.624 34.680 -1.227 1.00 51.34 H new ATOM 876 N GLY A 53 6.133 34.909 -4.336 1.00 3.24 N ATOM 877 CA GLY A 53 7.119 35.216 -5.355 1.00 63.44 C ATOM 878 C GLY A 53 7.696 33.969 -5.997 1.00 51.33 C ATOM 879 O GLY A 53 8.066 33.983 -7.172 1.00 34.52 O ATOM 0 H GLY A 53 6.400 35.173 -3.388 1.00 3.24 H new ATOM 0 HA2 GLY A 53 6.661 35.838 -6.124 1.00 63.44 H new ATOM 0 HA3 GLY A 53 7.926 35.799 -4.912 1.00 63.44 H new ATOM 883 N ILE A 54 7.775 32.891 -5.226 1.00 34.44 N ATOM 884 CA ILE A 54 8.311 31.631 -5.726 1.00 41.23 C ATOM 885 C ILE A 54 7.297 30.914 -6.611 1.00 13.42 C ATOM 886 O ILE A 54 7.662 30.259 -7.588 1.00 32.24 O ATOM 887 CB ILE A 54 8.721 30.696 -4.573 1.00 45.14 C ATOM 888 CG1 ILE A 54 9.775 31.370 -3.691 1.00 73.25 C ATOM 889 CG2 ILE A 54 9.247 29.378 -5.122 1.00 73.11 C ATOM 890 CD1 ILE A 54 9.564 31.135 -2.212 1.00 53.41 C ATOM 0 H ILE A 54 7.474 32.864 -4.252 1.00 34.44 H new ATOM 0 HA ILE A 54 9.194 31.876 -6.315 1.00 41.23 H new ATOM 0 HB ILE A 54 7.842 30.489 -3.963 1.00 45.14 H new ATOM 0 HG12 ILE A 54 10.762 31.002 -3.972 1.00 73.25 H new ATOM 0 HG13 ILE A 54 9.768 32.443 -3.885 1.00 73.25 H new ATOM 0 HG21 ILE A 54 9.533 28.728 -4.295 1.00 73.11 H new ATOM 0 HG22 ILE A 54 8.469 28.894 -5.713 1.00 73.11 H new ATOM 0 HG23 ILE A 54 10.116 29.567 -5.752 1.00 73.11 H new ATOM 0 HD11 ILE A 54 10.347 31.641 -1.648 1.00 53.41 H new ATOM 0 HD12 ILE A 54 8.591 31.528 -1.916 1.00 53.41 H new ATOM 0 HD13 ILE A 54 9.601 30.066 -2.005 1.00 53.41 H new ATOM 902 N LEU A 55 6.021 31.045 -6.264 1.00 21.34 N ATOM 903 CA LEU A 55 4.952 30.411 -7.027 1.00 73.02 C ATOM 904 C LEU A 55 5.065 30.753 -8.509 1.00 74.14 C ATOM 905 O LEU A 55 4.690 29.957 -9.370 1.00 41.22 O ATOM 906 CB LEU A 55 3.587 30.851 -6.493 1.00 64.42 C ATOM 907 CG LEU A 55 3.245 30.398 -5.073 1.00 52.14 C ATOM 908 CD1 LEU A 55 1.813 30.775 -4.724 1.00 24.41 C ATOM 909 CD2 LEU A 55 3.455 28.898 -4.926 1.00 52.14 C ATOM 0 H LEU A 55 5.702 31.584 -5.459 1.00 21.34 H new ATOM 0 HA LEU A 55 5.049 29.331 -6.913 1.00 73.02 H new ATOM 0 HB2 LEU A 55 3.539 31.939 -6.527 1.00 64.42 H new ATOM 0 HB3 LEU A 55 2.817 30.477 -7.168 1.00 64.42 H new ATOM 0 HG LEU A 55 3.913 30.907 -4.378 1.00 52.14 H new ATOM 0 HD11 LEU A 55 1.587 30.445 -3.710 1.00 24.41 H new ATOM 0 HD12 LEU A 55 1.696 31.857 -4.788 1.00 24.41 H new ATOM 0 HD13 LEU A 55 1.129 30.294 -5.423 1.00 24.41 H new ATOM 0 HD21 LEU A 55 3.207 28.594 -3.909 1.00 52.14 H new ATOM 0 HD22 LEU A 55 2.812 28.370 -5.630 1.00 52.14 H new ATOM 0 HD23 LEU A 55 4.497 28.654 -5.133 1.00 52.14 H new ATOM 921 N MET A 56 5.585 31.941 -8.799 1.00 62.14 N ATOM 922 CA MET A 56 5.751 32.386 -10.178 1.00 53.31 C ATOM 923 C MET A 56 6.609 31.403 -10.968 1.00 11.12 C ATOM 924 O MET A 56 6.438 31.248 -12.177 1.00 70.01 O ATOM 925 CB MET A 56 6.385 33.778 -10.214 1.00 52.13 C ATOM 926 CG MET A 56 5.548 34.845 -9.527 1.00 41.23 C ATOM 927 SD MET A 56 5.113 36.203 -10.630 1.00 53.44 S ATOM 928 CE MET A 56 3.375 35.870 -10.909 1.00 21.14 C ATOM 0 H MET A 56 5.899 32.613 -8.098 1.00 62.14 H new ATOM 0 HA MET A 56 4.765 32.431 -10.640 1.00 53.31 H new ATOM 0 HB2 MET A 56 7.365 33.734 -9.738 1.00 52.13 H new ATOM 0 HB3 MET A 56 6.547 34.068 -11.252 1.00 52.13 H new ATOM 0 HG2 MET A 56 4.636 34.392 -9.138 1.00 41.23 H new ATOM 0 HG3 MET A 56 6.098 35.238 -8.672 1.00 41.23 H new ATOM 0 HE1 MET A 56 2.962 36.627 -11.575 1.00 21.14 H new ATOM 0 HE2 MET A 56 3.262 34.886 -11.364 1.00 21.14 H new ATOM 0 HE3 MET A 56 2.843 35.894 -9.958 1.00 21.14 H new ATOM 938 N ARG A 57 7.532 30.742 -10.276 1.00 55.15 N ATOM 939 CA ARG A 57 8.417 29.775 -10.914 1.00 41.22 C ATOM 940 C ARG A 57 7.688 28.460 -11.176 1.00 2.50 C ATOM 941 O ARG A 57 7.645 27.978 -12.307 1.00 70.12 O ATOM 942 CB ARG A 57 9.647 29.524 -10.040 1.00 33.44 C ATOM 943 CG ARG A 57 10.516 28.376 -10.527 1.00 21.02 C ATOM 944 CD ARG A 57 11.689 28.129 -9.591 1.00 12.14 C ATOM 945 NE ARG A 57 12.939 28.659 -10.128 1.00 61.11 N ATOM 946 CZ ARG A 57 13.591 28.111 -11.148 1.00 1.51 C ATOM 947 NH1 ARG A 57 13.113 27.024 -11.738 1.00 3.44 N ATOM 948 NH2 ARG A 57 14.723 28.652 -11.580 1.00 42.00 N ATOM 0 H ARG A 57 7.686 30.859 -9.274 1.00 55.15 H new ATOM 0 HA ARG A 57 8.737 30.189 -11.870 1.00 41.22 H new ATOM 0 HB2 ARG A 57 10.248 30.433 -10.003 1.00 33.44 H new ATOM 0 HB3 ARG A 57 9.322 29.315 -9.021 1.00 33.44 H new ATOM 0 HG2 ARG A 57 9.914 27.470 -10.605 1.00 21.02 H new ATOM 0 HG3 ARG A 57 10.888 28.599 -11.527 1.00 21.02 H new ATOM 0 HD2 ARG A 57 11.485 28.591 -8.625 1.00 12.14 H new ATOM 0 HD3 ARG A 57 11.794 27.058 -9.417 1.00 12.14 H new ATOM 0 HE ARG A 57 13.333 29.495 -9.697 1.00 61.11 H new ATOM 0 HH11 ARG A 57 12.243 26.606 -11.409 1.00 3.44 H new ATOM 0 HH12 ARG A 57 13.616 26.606 -12.521 1.00 3.44 H new ATOM 0 HH21 ARG A 57 15.093 29.489 -11.129 1.00 42.00 H new ATOM 0 HH22 ARG A 57 15.223 28.231 -12.363 1.00 42.00 H new ATOM 962 N ALA A 58 7.117 27.886 -10.122 1.00 44.31 N ATOM 963 CA ALA A 58 6.389 26.629 -10.238 1.00 64.21 C ATOM 964 C ALA A 58 5.231 26.754 -11.222 1.00 64.34 C ATOM 965 O ALA A 58 4.854 25.782 -11.878 1.00 42.41 O ATOM 966 CB ALA A 58 5.880 26.186 -8.874 1.00 41.05 C ATOM 0 H ALA A 58 7.145 28.272 -9.178 1.00 44.31 H new ATOM 0 HA ALA A 58 7.076 25.874 -10.620 1.00 64.21 H new ATOM 0 HB1 ALA A 58 5.338 25.246 -8.976 1.00 41.05 H new ATOM 0 HB2 ALA A 58 6.724 26.047 -8.198 1.00 41.05 H new ATOM 0 HB3 ALA A 58 5.213 26.947 -8.470 1.00 41.05 H new ATOM 972 N ARG A 59 4.671 27.955 -11.320 1.00 71.22 N ATOM 973 CA ARG A 59 3.554 28.205 -12.223 1.00 42.54 C ATOM 974 C ARG A 59 3.987 28.050 -13.679 1.00 15.45 C ATOM 975 O ARG A 59 3.179 27.717 -14.546 1.00 34.34 O ATOM 976 CB ARG A 59 2.991 29.609 -11.994 1.00 53.14 C ATOM 977 CG ARG A 59 1.568 29.784 -12.499 1.00 73.11 C ATOM 978 CD ARG A 59 1.116 31.233 -12.401 1.00 34.53 C ATOM 979 NE ARG A 59 1.483 32.002 -13.586 1.00 41.31 N ATOM 980 CZ ARG A 59 0.819 31.944 -14.735 1.00 62.22 C ATOM 981 NH1 ARG A 59 -0.241 31.156 -14.853 1.00 64.10 N ATOM 982 NH2 ARG A 59 1.215 32.675 -15.769 1.00 60.24 N ATOM 0 H ARG A 59 4.972 28.770 -10.786 1.00 71.22 H new ATOM 0 HA ARG A 59 2.777 27.470 -12.013 1.00 42.54 H new ATOM 0 HB2 ARG A 59 3.019 29.833 -10.928 1.00 53.14 H new ATOM 0 HB3 ARG A 59 3.635 30.335 -12.490 1.00 53.14 H new ATOM 0 HG2 ARG A 59 1.505 29.451 -13.535 1.00 73.11 H new ATOM 0 HG3 ARG A 59 0.895 29.152 -11.920 1.00 73.11 H new ATOM 0 HD2 ARG A 59 0.035 31.267 -12.267 1.00 34.53 H new ATOM 0 HD3 ARG A 59 1.561 31.693 -11.518 1.00 34.53 H new ATOM 0 HE ARG A 59 2.294 32.618 -13.529 1.00 41.31 H new ATOM 0 HH11 ARG A 59 -0.548 30.592 -14.060 1.00 64.10 H new ATOM 0 HH12 ARG A 59 -0.749 31.113 -15.736 1.00 64.10 H new ATOM 0 HH21 ARG A 59 2.030 33.282 -15.682 1.00 60.24 H new ATOM 0 HH22 ARG A 59 0.704 32.630 -16.651 1.00 60.24 H new ATOM 996 N LYS A 60 5.266 28.295 -13.939 1.00 41.54 N ATOM 997 CA LYS A 60 5.808 28.183 -15.289 1.00 35.24 C ATOM 998 C LYS A 60 5.460 26.831 -15.903 1.00 74.13 C ATOM 999 O LYS A 60 5.271 26.719 -17.115 1.00 73.21 O ATOM 1000 CB LYS A 60 7.326 28.370 -15.268 1.00 43.00 C ATOM 1001 CG LYS A 60 7.765 29.725 -14.741 1.00 10.23 C ATOM 1002 CD LYS A 60 8.028 30.705 -15.872 1.00 4.13 C ATOM 1003 CE LYS A 60 6.871 31.677 -16.048 1.00 64.53 C ATOM 1004 NZ LYS A 60 7.279 32.893 -16.804 1.00 1.20 N ATOM 0 H LYS A 60 5.948 28.573 -13.233 1.00 41.54 H new ATOM 0 HA LYS A 60 5.360 28.967 -15.900 1.00 35.24 H new ATOM 0 HB2 LYS A 60 7.771 27.589 -14.652 1.00 43.00 H new ATOM 0 HB3 LYS A 60 7.714 28.240 -16.278 1.00 43.00 H new ATOM 0 HG2 LYS A 60 6.995 30.127 -14.082 1.00 10.23 H new ATOM 0 HG3 LYS A 60 8.668 29.608 -14.142 1.00 10.23 H new ATOM 0 HD2 LYS A 60 8.943 31.260 -15.668 1.00 4.13 H new ATOM 0 HD3 LYS A 60 8.188 30.156 -16.800 1.00 4.13 H new ATOM 0 HE2 LYS A 60 6.055 31.180 -16.573 1.00 64.53 H new ATOM 0 HE3 LYS A 60 6.489 31.969 -15.069 1.00 64.53 H new ATOM 0 HZ1 LYS A 60 6.463 33.530 -16.903 1.00 1.20 H new ATOM 0 HZ2 LYS A 60 8.040 33.382 -16.291 1.00 1.20 H new ATOM 0 HZ3 LYS A 60 7.619 32.617 -17.747 1.00 1.20 H new ATOM 1018 N HIS A 61 5.375 25.807 -15.060 1.00 62.43 N ATOM 1019 CA HIS A 61 5.048 24.462 -15.521 1.00 55.13 C ATOM 1020 C HIS A 61 3.697 24.013 -14.972 1.00 12.43 C ATOM 1021 O HIS A 61 3.482 22.829 -14.717 1.00 15.32 O ATOM 1022 CB HIS A 61 6.136 23.476 -15.098 1.00 65.34 C ATOM 1023 CG HIS A 61 7.522 23.927 -15.446 1.00 55.13 C ATOM 1024 ND1 HIS A 61 7.833 24.554 -16.634 1.00 74.15 N ATOM 1025 CD2 HIS A 61 8.681 23.841 -14.753 1.00 40.03 C ATOM 1026 CE1 HIS A 61 9.124 24.832 -16.658 1.00 53.20 C ATOM 1027 NE2 HIS A 61 9.662 24.410 -15.528 1.00 14.42 N ATOM 0 H HIS A 61 5.528 25.883 -14.054 1.00 62.43 H new ATOM 0 HA HIS A 61 4.990 24.482 -16.609 1.00 55.13 H new ATOM 0 HB2 HIS A 61 6.074 23.319 -14.021 1.00 65.34 H new ATOM 0 HB3 HIS A 61 5.946 22.513 -15.572 1.00 65.34 H new ATOM 0 HD2 HIS A 61 8.811 23.406 -13.773 1.00 40.03 H new ATOM 0 HE1 HIS A 61 9.650 25.321 -17.464 1.00 53.20 H new ATOM 0 HE2 HIS A 61 10.646 24.493 -15.272 1.00 14.42 H new ATOM 1035 N GLY A 62 2.790 24.969 -14.791 1.00 32.32 N ATOM 1036 CA GLY A 62 1.472 24.652 -14.272 1.00 21.13 C ATOM 1037 C GLY A 62 1.533 23.845 -12.990 1.00 34.10 C ATOM 1038 O GLY A 62 1.136 22.679 -12.962 1.00 53.11 O ATOM 0 H GLY A 62 2.945 25.956 -14.994 1.00 32.32 H new ATOM 0 HA2 GLY A 62 0.924 25.577 -14.090 1.00 21.13 H new ATOM 0 HA3 GLY A 62 0.914 24.093 -15.023 1.00 21.13 H new ATOM 1042 N LEU A 63 2.032 24.464 -11.926 1.00 14.11 N ATOM 1043 CA LEU A 63 2.145 23.795 -10.634 1.00 55.24 C ATOM 1044 C LEU A 63 1.223 24.441 -9.604 1.00 64.03 C ATOM 1045 O LEU A 63 0.809 23.800 -8.638 1.00 42.31 O ATOM 1046 CB LEU A 63 3.591 23.839 -10.140 1.00 65.00 C ATOM 1047 CG LEU A 63 3.881 23.082 -8.843 1.00 52.32 C ATOM 1048 CD1 LEU A 63 3.492 23.922 -7.637 1.00 13.52 C ATOM 1049 CD2 LEU A 63 3.145 21.750 -8.827 1.00 42.24 C ATOM 0 H LEU A 63 2.365 25.428 -11.932 1.00 14.11 H new ATOM 0 HA LEU A 63 1.843 22.756 -10.763 1.00 55.24 H new ATOM 0 HB2 LEU A 63 4.234 23.437 -10.923 1.00 65.00 H new ATOM 0 HB3 LEU A 63 3.874 24.882 -9.999 1.00 65.00 H new ATOM 0 HG LEU A 63 4.952 22.884 -8.792 1.00 52.32 H new ATOM 0 HD11 LEU A 63 3.705 23.367 -6.723 1.00 13.52 H new ATOM 0 HD12 LEU A 63 4.064 24.850 -7.640 1.00 13.52 H new ATOM 0 HD13 LEU A 63 2.427 24.152 -7.682 1.00 13.52 H new ATOM 0 HD21 LEU A 63 3.363 21.225 -7.897 1.00 42.24 H new ATOM 0 HD22 LEU A 63 2.072 21.926 -8.901 1.00 42.24 H new ATOM 0 HD23 LEU A 63 3.472 21.143 -9.671 1.00 42.24 H new ATOM 1061 N VAL A 64 0.905 25.714 -9.819 1.00 34.45 N ATOM 1062 CA VAL A 64 0.029 26.446 -8.911 1.00 25.32 C ATOM 1063 C VAL A 64 -1.239 26.904 -9.621 1.00 34.11 C ATOM 1064 O VAL A 64 -1.184 27.686 -10.571 1.00 33.51 O ATOM 1065 CB VAL A 64 0.742 27.673 -8.313 1.00 12.44 C ATOM 1066 CG1 VAL A 64 1.822 27.240 -7.334 1.00 65.30 C ATOM 1067 CG2 VAL A 64 1.328 28.539 -9.417 1.00 52.44 C ATOM 0 H VAL A 64 1.240 26.259 -10.613 1.00 34.45 H new ATOM 0 HA VAL A 64 -0.237 25.761 -8.106 1.00 25.32 H new ATOM 0 HB VAL A 64 0.009 28.267 -7.767 1.00 12.44 H new ATOM 0 HG11 VAL A 64 2.314 28.121 -6.922 1.00 65.30 H new ATOM 0 HG12 VAL A 64 1.371 26.665 -6.525 1.00 65.30 H new ATOM 0 HG13 VAL A 64 2.556 26.623 -7.852 1.00 65.30 H new ATOM 0 HG21 VAL A 64 1.828 29.401 -8.976 1.00 52.44 H new ATOM 0 HG22 VAL A 64 2.048 27.957 -9.992 1.00 52.44 H new ATOM 0 HG23 VAL A 64 0.529 28.880 -10.075 1.00 52.44 H new ATOM 1077 N HIS A 65 -2.383 26.413 -9.154 1.00 22.24 N ATOM 1078 CA HIS A 65 -3.667 26.773 -9.743 1.00 73.14 C ATOM 1079 C HIS A 65 -4.180 28.089 -9.167 1.00 42.43 C ATOM 1080 O HIS A 65 -5.275 28.541 -9.503 1.00 44.52 O ATOM 1081 CB HIS A 65 -4.692 25.664 -9.502 1.00 61.02 C ATOM 1082 CG HIS A 65 -5.580 25.402 -10.680 1.00 1.53 C ATOM 1083 ND1 HIS A 65 -6.303 24.238 -10.833 1.00 51.51 N ATOM 1084 CD2 HIS A 65 -5.861 26.164 -11.763 1.00 64.42 C ATOM 1085 CE1 HIS A 65 -6.989 24.294 -11.961 1.00 1.32 C ATOM 1086 NE2 HIS A 65 -6.738 25.453 -12.544 1.00 73.50 N ATOM 0 H HIS A 65 -2.446 25.765 -8.369 1.00 22.24 H new ATOM 0 HA HIS A 65 -3.523 26.898 -10.816 1.00 73.14 H new ATOM 0 HB2 HIS A 65 -4.166 24.745 -9.242 1.00 61.02 H new ATOM 0 HB3 HIS A 65 -5.309 25.931 -8.644 1.00 61.02 H new ATOM 0 HD2 HIS A 65 -5.468 27.148 -11.973 1.00 64.42 H new ATOM 0 HE1 HIS A 65 -7.643 23.524 -12.342 1.00 1.32 H new ATOM 0 HE2 HIS A 65 -7.132 25.768 -13.430 1.00 73.50 H new ATOM 1094 N PHE A 66 -3.382 28.700 -8.297 1.00 64.54 N ATOM 1095 CA PHE A 66 -3.755 29.963 -7.673 1.00 52.30 C ATOM 1096 C PHE A 66 -3.956 31.051 -8.724 1.00 73.23 C ATOM 1097 O PHE A 66 -3.489 30.928 -9.856 1.00 75.41 O ATOM 1098 CB PHE A 66 -2.683 30.398 -6.672 1.00 13.34 C ATOM 1099 CG PHE A 66 -1.572 31.195 -7.292 1.00 5.31 C ATOM 1100 CD1 PHE A 66 -0.901 30.722 -8.408 1.00 20.30 C ATOM 1101 CD2 PHE A 66 -1.197 32.418 -6.758 1.00 63.13 C ATOM 1102 CE1 PHE A 66 0.122 31.453 -8.982 1.00 23.25 C ATOM 1103 CE2 PHE A 66 -0.175 33.154 -7.328 1.00 24.53 C ATOM 1104 CZ PHE A 66 0.487 32.670 -8.440 1.00 34.11 C ATOM 0 H PHE A 66 -2.472 28.340 -8.008 1.00 64.54 H new ATOM 0 HA PHE A 66 -4.697 29.814 -7.145 1.00 52.30 H new ATOM 0 HB2 PHE A 66 -3.150 30.992 -5.886 1.00 13.34 H new ATOM 0 HB3 PHE A 66 -2.262 29.513 -6.195 1.00 13.34 H new ATOM 0 HD1 PHE A 66 -1.181 29.770 -8.835 1.00 20.30 H new ATOM 0 HD2 PHE A 66 -1.709 32.800 -5.887 1.00 63.13 H new ATOM 0 HE1 PHE A 66 0.635 31.073 -9.853 1.00 23.25 H new ATOM 0 HE2 PHE A 66 0.106 34.107 -6.904 1.00 24.53 H new ATOM 0 HZ PHE A 66 1.288 33.242 -8.884 1.00 34.11 H new ATOM 1168 N LEU A 71 -0.797 37.580 -4.143 1.00 55.12 N ATOM 1169 CA LEU A 71 -1.652 37.366 -2.980 1.00 64.31 C ATOM 1170 C LEU A 71 -1.204 38.233 -1.808 1.00 41.53 C ATOM 1171 O LEU A 71 -0.063 38.142 -1.356 1.00 22.43 O ATOM 1172 CB LEU A 71 -1.633 35.891 -2.574 1.00 2.01 C ATOM 1173 CG LEU A 71 -1.742 34.879 -3.715 1.00 10.10 C ATOM 1174 CD1 LEU A 71 -1.947 33.476 -3.166 1.00 62.31 C ATOM 1175 CD2 LEU A 71 -2.877 35.257 -4.656 1.00 21.42 C ATOM 0 HA LEU A 71 -2.669 37.650 -3.250 1.00 64.31 H new ATOM 0 HB2 LEU A 71 -0.709 35.697 -2.030 1.00 2.01 H new ATOM 0 HB3 LEU A 71 -2.455 35.715 -1.880 1.00 2.01 H new ATOM 0 HG LEU A 71 -0.809 34.893 -4.279 1.00 10.10 H new ATOM 0 HD11 LEU A 71 -2.022 32.769 -3.992 1.00 62.31 H new ATOM 0 HD12 LEU A 71 -1.102 33.206 -2.533 1.00 62.31 H new ATOM 0 HD13 LEU A 71 -2.864 33.446 -2.578 1.00 62.31 H new ATOM 0 HD21 LEU A 71 -2.940 34.526 -5.462 1.00 21.42 H new ATOM 0 HD22 LEU A 71 -3.817 35.271 -4.105 1.00 21.42 H new ATOM 0 HD23 LEU A 71 -2.688 36.245 -5.076 1.00 21.42 H new ATOM 1187 N TRP A 72 -2.110 39.073 -1.321 1.00 11.10 N ATOM 1188 CA TRP A 72 -1.809 39.956 -0.200 1.00 22.03 C ATOM 1189 C TRP A 72 -2.168 39.294 1.126 1.00 3.00 C ATOM 1190 O TRP A 72 -3.320 38.925 1.353 1.00 4.42 O ATOM 1191 CB TRP A 72 -2.566 41.277 -0.346 1.00 74.31 C ATOM 1192 CG TRP A 72 -2.248 42.007 -1.616 1.00 21.42 C ATOM 1193 CD1 TRP A 72 -3.140 42.482 -2.534 1.00 14.03 C ATOM 1194 CD2 TRP A 72 -0.946 42.342 -2.108 1.00 20.00 C ATOM 1195 NE1 TRP A 72 -2.472 43.093 -3.567 1.00 25.10 N ATOM 1196 CE2 TRP A 72 -1.124 43.021 -3.329 1.00 55.11 C ATOM 1197 CE3 TRP A 72 0.353 42.137 -1.635 1.00 71.32 C ATOM 1198 CZ2 TRP A 72 -0.052 43.493 -4.081 1.00 54.45 C ATOM 1199 CZ3 TRP A 72 1.416 42.606 -2.383 1.00 71.22 C ATOM 1200 CH2 TRP A 72 1.208 43.278 -3.595 1.00 4.42 C ATOM 0 H TRP A 72 -3.059 39.161 -1.685 1.00 11.10 H new ATOM 0 HA TRP A 72 -0.738 40.157 -0.206 1.00 22.03 H new ATOM 0 HB2 TRP A 72 -3.637 41.080 -0.307 1.00 74.31 H new ATOM 0 HB3 TRP A 72 -2.329 41.919 0.503 1.00 74.31 H new ATOM 0 HD1 TRP A 72 -4.214 42.391 -2.459 1.00 14.03 H new ATOM 0 HE1 TRP A 72 -2.908 43.529 -4.379 1.00 25.10 H new ATOM 0 HE3 TRP A 72 0.523 41.621 -0.701 1.00 71.32 H new ATOM 0 HZ2 TRP A 72 -0.210 44.011 -5.016 1.00 54.45 H new ATOM 0 HZ3 TRP A 72 2.424 42.452 -2.028 1.00 71.22 H new ATOM 0 HH2 TRP A 72 2.060 43.633 -4.156 1.00 4.42 H new ATOM 1211 N GLN A 73 -1.175 39.147 1.997 1.00 23.11 N ATOM 1212 CA GLN A 73 -1.388 38.528 3.300 1.00 3.53 C ATOM 1213 C GLN A 73 -2.556 39.184 4.030 1.00 62.04 C ATOM 1214 O GLN A 73 -2.602 40.404 4.178 1.00 42.30 O ATOM 1215 CB GLN A 73 -0.119 38.629 4.150 1.00 55.44 C ATOM 1216 CG GLN A 73 0.058 37.471 5.118 1.00 41.02 C ATOM 1217 CD GLN A 73 -0.825 37.595 6.344 1.00 60.52 C ATOM 1218 OE1 GLN A 73 -1.923 37.039 6.391 1.00 51.34 O ATOM 1219 NE2 GLN A 73 -0.349 38.325 7.345 1.00 11.14 N ATOM 0 H GLN A 73 -0.216 39.448 1.824 1.00 23.11 H new ATOM 0 HA GLN A 73 -1.627 37.477 3.140 1.00 3.53 H new ATOM 0 HB2 GLN A 73 0.747 38.676 3.490 1.00 55.44 H new ATOM 0 HB3 GLN A 73 -0.142 39.562 4.713 1.00 55.44 H new ATOM 0 HG2 GLN A 73 -0.168 36.536 4.605 1.00 41.02 H new ATOM 0 HG3 GLN A 73 1.101 37.419 5.430 1.00 41.02 H new ATOM 0 HE21 GLN A 73 0.566 38.768 7.263 1.00 11.14 H new ATOM 0 HE22 GLN A 73 -0.898 38.443 8.196 1.00 11.14 H new ATOM 1228 N GLY A 74 -3.499 38.364 4.483 1.00 53.11 N ATOM 1229 CA GLY A 74 -4.655 38.883 5.191 1.00 72.32 C ATOM 1230 C GLY A 74 -5.800 39.227 4.258 1.00 3.05 C ATOM 1231 O GLY A 74 -6.901 39.546 4.706 1.00 12.33 O ATOM 0 H GLY A 74 -3.483 37.350 4.373 1.00 53.11 H new ATOM 0 HA2 GLY A 74 -4.993 38.145 5.919 1.00 72.32 H new ATOM 0 HA3 GLY A 74 -4.366 39.773 5.750 1.00 72.32 H new ATOM 1235 N LYS A 75 -5.540 39.164 2.957 1.00 43.21 N ATOM 1236 CA LYS A 75 -6.556 39.472 1.958 1.00 42.14 C ATOM 1237 C LYS A 75 -6.772 38.289 1.019 1.00 13.04 C ATOM 1238 O LYS A 75 -7.895 37.809 0.859 1.00 24.24 O ATOM 1239 CB LYS A 75 -6.150 40.708 1.152 1.00 41.13 C ATOM 1240 CG LYS A 75 -5.655 41.859 2.011 1.00 71.23 C ATOM 1241 CD LYS A 75 -6.752 42.389 2.918 1.00 13.13 C ATOM 1242 CE LYS A 75 -7.023 43.864 2.662 1.00 34.41 C ATOM 1243 NZ LYS A 75 -6.267 44.738 3.601 1.00 71.11 N ATOM 0 H LYS A 75 -4.634 38.902 2.569 1.00 43.21 H new ATOM 0 HA LYS A 75 -7.492 39.676 2.479 1.00 42.14 H new ATOM 0 HB2 LYS A 75 -5.368 40.430 0.446 1.00 41.13 H new ATOM 0 HB3 LYS A 75 -7.004 41.045 0.565 1.00 41.13 H new ATOM 0 HG2 LYS A 75 -4.811 41.527 2.615 1.00 71.23 H new ATOM 0 HG3 LYS A 75 -5.291 42.662 1.370 1.00 71.23 H new ATOM 0 HD2 LYS A 75 -7.666 41.817 2.758 1.00 13.13 H new ATOM 0 HD3 LYS A 75 -6.465 42.246 3.960 1.00 13.13 H new ATOM 0 HE2 LYS A 75 -6.749 44.111 1.636 1.00 34.41 H new ATOM 0 HE3 LYS A 75 -8.090 44.060 2.763 1.00 34.41 H new ATOM 0 HZ1 LYS A 75 -6.479 45.735 3.394 1.00 71.11 H new ATOM 0 HZ2 LYS A 75 -6.546 44.521 4.579 1.00 71.11 H new ATOM 0 HZ3 LYS A 75 -5.247 44.570 3.487 1.00 71.11 H new ATOM 1257 N ASP A 76 -5.692 37.823 0.403 1.00 4.21 N ATOM 1258 CA ASP A 76 -5.763 36.694 -0.517 1.00 52.33 C ATOM 1259 C ASP A 76 -5.480 35.383 0.209 1.00 74.35 C ATOM 1260 O ASP A 76 -5.233 34.354 -0.421 1.00 43.22 O ATOM 1261 CB ASP A 76 -4.770 36.881 -1.665 1.00 62.22 C ATOM 1262 CG ASP A 76 -5.369 37.641 -2.832 1.00 33.11 C ATOM 1263 OD1 ASP A 76 -6.407 37.192 -3.361 1.00 51.14 O ATOM 1264 OD2 ASP A 76 -4.800 38.684 -3.216 1.00 51.21 O ATOM 0 H ASP A 76 -4.756 38.210 0.524 1.00 4.21 H new ATOM 0 HA ASP A 76 -6.773 36.652 -0.924 1.00 52.33 H new ATOM 0 HB2 ASP A 76 -3.893 37.415 -1.299 1.00 62.22 H new ATOM 0 HB3 ASP A 76 -4.428 35.905 -2.008 1.00 62.22 H new ATOM 1269 N ASP A 77 -5.518 35.427 1.536 1.00 71.03 N ATOM 1270 CA ASP A 77 -5.266 34.242 2.348 1.00 41.23 C ATOM 1271 C ASP A 77 -6.215 33.110 1.966 1.00 5.03 C ATOM 1272 O ASP A 77 -5.900 31.934 2.150 1.00 23.32 O ATOM 1273 CB ASP A 77 -5.419 34.574 3.833 1.00 64.20 C ATOM 1274 CG ASP A 77 -6.851 34.900 4.209 1.00 45.30 C ATOM 1275 OD1 ASP A 77 -7.659 33.958 4.342 1.00 72.30 O ATOM 1276 OD2 ASP A 77 -7.162 36.098 4.371 1.00 14.41 O ATOM 0 H ASP A 77 -5.721 36.270 2.073 1.00 71.03 H new ATOM 0 HA ASP A 77 -4.244 33.913 2.161 1.00 41.23 H new ATOM 0 HB2 ASP A 77 -5.073 33.729 4.429 1.00 64.20 H new ATOM 0 HB3 ASP A 77 -4.780 35.421 4.081 1.00 64.20 H new ATOM 1281 N HIS A 78 -7.378 33.473 1.435 1.00 22.02 N ATOM 1282 CA HIS A 78 -8.373 32.487 1.028 1.00 11.43 C ATOM 1283 C HIS A 78 -7.887 31.691 -0.179 1.00 11.00 C ATOM 1284 O HIS A 78 -8.372 30.592 -0.447 1.00 32.45 O ATOM 1285 CB HIS A 78 -9.698 33.175 0.700 1.00 14.51 C ATOM 1286 CG HIS A 78 -9.678 33.928 -0.595 1.00 33.40 C ATOM 1287 ND1 HIS A 78 -8.722 34.707 -1.151 1.00 11.42 N flip ATOM 1288 CD2 HIS A 78 -10.735 33.929 -1.481 1.00 64.24 C flip ATOM 1289 CE1 HIS A 78 -9.212 35.160 -2.351 1.00 24.32 C flip ATOM 1290 NE2 HIS A 78 -10.429 34.676 -2.527 1.00 72.54 N flip ATOM 0 H HIS A 78 -7.655 34.442 1.276 1.00 22.02 H new ATOM 0 HA HIS A 78 -8.526 31.797 1.858 1.00 11.43 H new ATOM 0 HB2 HIS A 78 -10.488 32.425 0.662 1.00 14.51 H new ATOM 0 HB3 HIS A 78 -9.950 33.863 1.507 1.00 14.51 H new ATOM 0 HD2 HIS A 78 -11.667 33.402 -1.342 1.00 64.24 H new ATOM 0 HE1 HIS A 78 -8.688 35.807 -3.039 1.00 24.32 H new ATOM 0 HE2 HIS A 78 -11.030 34.850 -3.333 1.00 72.54 H new ATOM 1298 N VAL A 79 -6.927 32.254 -0.905 1.00 64.35 N ATOM 1299 CA VAL A 79 -6.375 31.596 -2.084 1.00 42.30 C ATOM 1300 C VAL A 79 -5.853 30.205 -1.743 1.00 44.13 C ATOM 1301 O VAL A 79 -4.895 30.058 -0.983 1.00 53.43 O ATOM 1302 CB VAL A 79 -5.233 32.423 -2.705 1.00 55.13 C ATOM 1303 CG1 VAL A 79 -4.580 31.659 -3.846 1.00 62.43 C ATOM 1304 CG2 VAL A 79 -5.752 33.771 -3.184 1.00 21.13 C ATOM 0 H VAL A 79 -6.515 33.164 -0.698 1.00 64.35 H new ATOM 0 HA VAL A 79 -7.186 31.509 -2.807 1.00 42.30 H new ATOM 0 HB VAL A 79 -4.478 32.600 -1.939 1.00 55.13 H new ATOM 0 HG11 VAL A 79 -3.776 32.259 -4.272 1.00 62.43 H new ATOM 0 HG12 VAL A 79 -4.173 30.721 -3.469 1.00 62.43 H new ATOM 0 HG13 VAL A 79 -5.323 31.449 -4.615 1.00 62.43 H new ATOM 0 HG21 VAL A 79 -4.932 34.342 -3.620 1.00 21.13 H new ATOM 0 HG22 VAL A 79 -6.527 33.617 -3.935 1.00 21.13 H new ATOM 0 HG23 VAL A 79 -6.169 34.321 -2.340 1.00 21.13 H new ATOM 1314 N VAL A 80 -6.488 29.185 -2.311 1.00 61.13 N ATOM 1315 CA VAL A 80 -6.087 27.804 -2.069 1.00 43.24 C ATOM 1316 C VAL A 80 -5.113 27.320 -3.138 1.00 30.44 C ATOM 1317 O VAL A 80 -5.469 27.208 -4.311 1.00 62.22 O ATOM 1318 CB VAL A 80 -7.306 26.863 -2.036 1.00 44.14 C ATOM 1319 CG1 VAL A 80 -6.858 25.412 -1.947 1.00 1.21 C ATOM 1320 CG2 VAL A 80 -8.222 27.220 -0.876 1.00 31.52 C ATOM 0 H VAL A 80 -7.283 29.289 -2.942 1.00 61.13 H new ATOM 0 HA VAL A 80 -5.595 27.782 -1.097 1.00 43.24 H new ATOM 0 HB VAL A 80 -7.866 26.988 -2.963 1.00 44.14 H new ATOM 0 HG11 VAL A 80 -7.733 24.762 -1.925 1.00 1.21 H new ATOM 0 HG12 VAL A 80 -6.245 25.166 -2.814 1.00 1.21 H new ATOM 0 HG13 VAL A 80 -6.275 25.266 -1.038 1.00 1.21 H new ATOM 0 HG21 VAL A 80 -9.078 26.545 -0.867 1.00 31.52 H new ATOM 0 HG22 VAL A 80 -7.675 27.124 0.062 1.00 31.52 H new ATOM 0 HG23 VAL A 80 -8.570 28.247 -0.990 1.00 31.52 H new ATOM 1330 N ILE A 81 -3.884 27.033 -2.723 1.00 65.04 N ATOM 1331 CA ILE A 81 -2.859 26.559 -3.645 1.00 23.52 C ATOM 1332 C ILE A 81 -2.810 25.035 -3.676 1.00 21.34 C ATOM 1333 O ILE A 81 -2.380 24.396 -2.714 1.00 52.13 O ATOM 1334 CB ILE A 81 -1.467 27.098 -3.265 1.00 61.12 C ATOM 1335 CG1 ILE A 81 -1.474 28.628 -3.255 1.00 73.11 C ATOM 1336 CG2 ILE A 81 -0.414 26.574 -4.231 1.00 14.31 C ATOM 1337 CD1 ILE A 81 -1.754 29.222 -1.892 1.00 60.23 C ATOM 0 H ILE A 81 -3.574 27.120 -1.755 1.00 65.04 H new ATOM 0 HA ILE A 81 -3.127 26.932 -4.633 1.00 23.52 H new ATOM 0 HB ILE A 81 -1.219 26.748 -2.263 1.00 61.12 H new ATOM 0 HG12 ILE A 81 -0.509 28.990 -3.609 1.00 73.11 H new ATOM 0 HG13 ILE A 81 -2.226 28.984 -3.959 1.00 73.11 H new ATOM 0 HG21 ILE A 81 0.564 26.964 -3.949 1.00 14.31 H new ATOM 0 HG22 ILE A 81 -0.395 25.485 -4.193 1.00 14.31 H new ATOM 0 HG23 ILE A 81 -0.656 26.898 -5.243 1.00 14.31 H new ATOM 0 HD11 ILE A 81 -1.744 30.310 -1.960 1.00 60.23 H new ATOM 0 HD12 ILE A 81 -2.732 28.890 -1.544 1.00 60.23 H new ATOM 0 HD13 ILE A 81 -0.988 28.895 -1.188 1.00 60.23 H new ATOM 1349 N THR A 82 -3.252 24.456 -4.788 1.00 42.10 N ATOM 1350 CA THR A 82 -3.258 23.007 -4.945 1.00 52.34 C ATOM 1351 C THR A 82 -2.105 22.545 -5.828 1.00 63.02 C ATOM 1352 O THR A 82 -2.085 22.809 -7.031 1.00 55.12 O ATOM 1353 CB THR A 82 -4.585 22.514 -5.554 1.00 3.15 C ATOM 1354 OG1 THR A 82 -4.466 21.140 -5.938 1.00 35.21 O ATOM 1355 CG2 THR A 82 -4.971 23.353 -6.763 1.00 24.23 C ATOM 0 H THR A 82 -3.611 24.969 -5.593 1.00 42.10 H new ATOM 0 HA THR A 82 -3.143 22.580 -3.949 1.00 52.34 H new ATOM 0 HB THR A 82 -5.365 22.614 -4.799 1.00 3.15 H new ATOM 0 HG1 THR A 82 -5.314 20.833 -6.323 1.00 35.21 H new ATOM 0 HG21 THR A 82 -5.911 22.986 -7.176 1.00 24.23 H new ATOM 0 HG22 THR A 82 -5.089 24.394 -6.461 1.00 24.23 H new ATOM 0 HG23 THR A 82 -4.190 23.281 -7.520 1.00 24.23 H new ATOM 1363 N LEU A 83 -1.145 21.853 -5.225 1.00 4.23 N ATOM 1364 CA LEU A 83 0.014 21.353 -5.957 1.00 34.31 C ATOM 1365 C LEU A 83 -0.418 20.619 -7.223 1.00 22.14 C ATOM 1366 O LEU A 83 -0.912 19.492 -7.162 1.00 40.21 O ATOM 1367 CB LEU A 83 0.839 20.420 -5.069 1.00 71.40 C ATOM 1368 CG LEU A 83 2.348 20.421 -5.314 1.00 3.43 C ATOM 1369 CD1 LEU A 83 2.948 21.767 -4.938 1.00 3.40 C ATOM 1370 CD2 LEU A 83 3.017 19.300 -4.531 1.00 53.33 C ATOM 0 H LEU A 83 -1.146 21.625 -4.231 1.00 4.23 H new ATOM 0 HA LEU A 83 0.628 22.207 -6.245 1.00 34.31 H new ATOM 0 HB2 LEU A 83 0.660 20.689 -4.028 1.00 71.40 H new ATOM 0 HB3 LEU A 83 0.470 19.403 -5.203 1.00 71.40 H new ATOM 0 HG LEU A 83 2.524 20.251 -6.376 1.00 3.43 H new ATOM 0 HD11 LEU A 83 4.023 21.750 -5.119 1.00 3.40 H new ATOM 0 HD12 LEU A 83 2.491 22.551 -5.542 1.00 3.40 H new ATOM 0 HD13 LEU A 83 2.761 21.967 -3.883 1.00 3.40 H new ATOM 0 HD21 LEU A 83 4.091 19.316 -4.718 1.00 53.33 H new ATOM 0 HD22 LEU A 83 2.832 19.439 -3.466 1.00 53.33 H new ATOM 0 HD23 LEU A 83 2.608 18.341 -4.848 1.00 53.33 H new ATOM 1382 N LEU A 84 -0.226 21.263 -8.368 1.00 52.53 N ATOM 1383 CA LEU A 84 -0.593 20.671 -9.650 1.00 13.40 C ATOM 1384 C LEU A 84 0.606 19.986 -10.297 1.00 1.03 C ATOM 1385 O LEU A 84 1.305 20.581 -11.116 1.00 2.20 O ATOM 1386 CB LEU A 84 -1.150 21.743 -10.589 1.00 2.44 C ATOM 1387 CG LEU A 84 -2.282 22.604 -10.028 1.00 12.43 C ATOM 1388 CD1 LEU A 84 -2.876 23.482 -11.119 1.00 35.44 C ATOM 1389 CD2 LEU A 84 -3.357 21.729 -9.400 1.00 71.11 C ATOM 0 H LEU A 84 0.182 22.195 -8.436 1.00 52.53 H new ATOM 0 HA LEU A 84 -1.362 19.921 -9.468 1.00 13.40 H new ATOM 0 HB2 LEU A 84 -0.332 22.401 -10.883 1.00 2.44 H new ATOM 0 HB3 LEU A 84 -1.507 21.254 -11.495 1.00 2.44 H new ATOM 0 HG LEU A 84 -1.871 23.251 -9.253 1.00 12.43 H new ATOM 0 HD11 LEU A 84 -3.680 24.088 -10.701 1.00 35.44 H new ATOM 0 HD12 LEU A 84 -2.102 24.135 -11.522 1.00 35.44 H new ATOM 0 HD13 LEU A 84 -3.272 22.853 -11.917 1.00 35.44 H new ATOM 0 HD21 LEU A 84 -4.155 22.359 -9.006 1.00 71.11 H new ATOM 0 HD22 LEU A 84 -3.765 21.056 -10.154 1.00 71.11 H new ATOM 0 HD23 LEU A 84 -2.922 21.144 -8.589 1.00 71.11 H new ATOM 1401 N GLU A 85 0.836 18.731 -9.924 1.00 22.11 N ATOM 1402 CA GLU A 85 1.950 17.965 -10.469 1.00 65.34 C ATOM 1403 C GLU A 85 1.455 16.690 -11.147 1.00 14.33 C ATOM 1404 O GLU A 85 0.479 16.082 -10.708 1.00 23.13 O ATOM 1405 CB GLU A 85 2.947 17.613 -9.363 1.00 34.34 C ATOM 1406 CG GLU A 85 4.009 18.676 -9.139 1.00 62.44 C ATOM 1407 CD GLU A 85 5.385 18.084 -8.900 1.00 13.14 C ATOM 1408 OE1 GLU A 85 6.105 17.835 -9.889 1.00 12.11 O ATOM 1409 OE2 GLU A 85 5.741 17.871 -7.722 1.00 32.43 O ATOM 0 H GLU A 85 0.266 18.224 -9.247 1.00 22.11 H new ATOM 0 HA GLU A 85 2.450 18.582 -11.215 1.00 65.34 H new ATOM 0 HB2 GLU A 85 2.403 17.454 -8.432 1.00 34.34 H new ATOM 0 HB3 GLU A 85 3.435 16.671 -9.612 1.00 34.34 H new ATOM 0 HG2 GLU A 85 4.047 19.335 -10.006 1.00 62.44 H new ATOM 0 HG3 GLU A 85 3.728 19.290 -8.284 1.00 62.44 H new