USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 481 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 21 HIS : no HD1:sc= -3! C(o=-3!,f=-6.1!) USER MOD Single : A 38 SER OG : rot -120:sc= -0.725 USER MOD Single : A 45 HIS : no HD1:sc= -0.234 K(o=-0.23,f=-1) USER MOD Single : A 46 MET CE :methyl -112:sc= -2.81 (180deg=-10.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.4!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 62 MET CE :methyl -173:sc= -3.43! (180deg=-3.54!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 160:sc= -1.82 (180deg=-3.43!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 72 ASN : amide:sc= -0.0402 K(o=-0.04,f=-1.4!) USER MOD Single : A 75 THR OG1 : rot -18:sc= 1.08 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -113:sc= -0.895 (180deg=-2.49!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.062 5.671 -6.885 1.00 73.04 N ATOM 174 CA ALA A 15 -3.810 5.132 -5.554 1.00 24.34 C ATOM 175 C ALA A 15 -4.103 3.636 -5.502 1.00 43.32 C ATOM 176 O ALA A 15 -3.451 2.890 -4.771 1.00 71.31 O ATOM 177 CB ALA A 15 -4.642 5.872 -4.518 1.00 63.40 C ATOM 0 HA ALA A 15 -2.754 5.276 -5.325 1.00 24.34 H new ATOM 0 HB1 ALA A 15 -4.443 5.459 -3.529 1.00 63.40 H new ATOM 0 HB2 ALA A 15 -4.379 6.930 -4.529 1.00 63.40 H new ATOM 0 HB3 ALA A 15 -5.700 5.759 -4.753 1.00 63.40 H new ATOM 183 N LEU A 16 -5.089 3.205 -6.282 1.00 34.24 N ATOM 184 CA LEU A 16 -5.470 1.798 -6.324 1.00 43.00 C ATOM 185 C LEU A 16 -4.350 0.947 -6.915 1.00 32.04 C ATOM 186 O LEU A 16 -3.979 -0.084 -6.356 1.00 73.11 O ATOM 187 CB LEU A 16 -6.748 1.620 -7.146 1.00 22.34 C ATOM 188 CG LEU A 16 -7.628 0.428 -6.768 1.00 21.45 C ATOM 189 CD1 LEU A 16 -6.842 -0.870 -6.872 1.00 3.04 C ATOM 190 CD2 LEU A 16 -8.189 0.602 -5.364 1.00 64.31 C ATOM 0 H LEU A 16 -5.638 3.809 -6.893 1.00 34.24 H new ATOM 0 HA LEU A 16 -5.653 1.466 -5.302 1.00 43.00 H new ATOM 0 HB2 LEU A 16 -7.343 2.529 -7.056 1.00 22.34 H new ATOM 0 HB3 LEU A 16 -6.471 1.523 -8.196 1.00 22.34 H new ATOM 0 HG LEU A 16 -8.462 0.381 -7.468 1.00 21.45 H new ATOM 0 HD11 LEU A 16 -7.484 -1.707 -6.599 1.00 3.04 H new ATOM 0 HD12 LEU A 16 -6.490 -1.001 -7.895 1.00 3.04 H new ATOM 0 HD13 LEU A 16 -5.988 -0.833 -6.196 1.00 3.04 H new ATOM 0 HD21 LEU A 16 -8.813 -0.256 -5.112 1.00 64.31 H new ATOM 0 HD22 LEU A 16 -7.368 0.675 -4.651 1.00 64.31 H new ATOM 0 HD23 LEU A 16 -8.789 1.511 -5.322 1.00 64.31 H new ATOM 201 N GLU A 17 -3.813 1.389 -8.049 1.00 33.04 N ATOM 202 CA GLU A 17 -2.733 0.669 -8.713 1.00 51.44 C ATOM 203 C GLU A 17 -1.425 0.817 -7.943 1.00 13.44 C ATOM 204 O GLU A 17 -0.597 -0.095 -7.921 1.00 71.55 O ATOM 205 CB GLU A 17 -2.556 1.180 -10.145 1.00 63.10 C ATOM 206 CG GLU A 17 -1.177 1.756 -10.419 1.00 11.24 C ATOM 207 CD GLU A 17 -0.111 0.685 -10.545 1.00 40.22 C ATOM 208 OE1 GLU A 17 -0.475 -0.504 -10.657 1.00 3.34 O ATOM 209 OE2 GLU A 17 1.087 1.037 -10.532 1.00 75.22 O ATOM 0 H GLU A 17 -4.108 2.241 -8.526 1.00 33.04 H new ATOM 0 HA GLU A 17 -2.999 -0.388 -8.741 1.00 51.44 H new ATOM 0 HB2 GLU A 17 -2.743 0.361 -10.840 1.00 63.10 H new ATOM 0 HB3 GLU A 17 -3.306 1.945 -10.344 1.00 63.10 H new ATOM 0 HG2 GLU A 17 -1.208 2.342 -11.338 1.00 11.24 H new ATOM 0 HG3 GLU A 17 -0.907 2.439 -9.614 1.00 11.24 H new ATOM 214 N LEU A 18 -1.244 1.973 -7.312 1.00 64.02 N ATOM 215 CA LEU A 18 -0.036 2.242 -6.541 1.00 33.22 C ATOM 216 C LEU A 18 0.150 1.203 -5.439 1.00 51.23 C ATOM 217 O LEU A 18 1.209 0.588 -5.322 1.00 11.35 O ATOM 218 CB LEU A 18 -0.099 3.643 -5.931 1.00 23.35 C ATOM 219 CG LEU A 18 1.035 4.009 -4.972 1.00 70.23 C ATOM 220 CD1 LEU A 18 1.469 5.451 -5.184 1.00 15.00 C ATOM 221 CD2 LEU A 18 0.605 3.786 -3.529 1.00 42.01 C ATOM 0 H LEU A 18 -1.919 2.738 -7.320 1.00 64.02 H new ATOM 0 HA LEU A 18 0.817 2.184 -7.217 1.00 33.22 H new ATOM 0 HB2 LEU A 18 -0.111 4.371 -6.742 1.00 23.35 H new ATOM 0 HB3 LEU A 18 -1.045 3.744 -5.399 1.00 23.35 H new ATOM 0 HG LEU A 18 1.886 3.361 -5.181 1.00 70.23 H new ATOM 0 HD11 LEU A 18 2.276 5.693 -4.493 1.00 15.00 H new ATOM 0 HD12 LEU A 18 1.818 5.579 -6.209 1.00 15.00 H new ATOM 0 HD13 LEU A 18 0.624 6.116 -5.002 1.00 15.00 H new ATOM 0 HD21 LEU A 18 1.424 4.051 -2.860 1.00 42.01 H new ATOM 0 HD22 LEU A 18 -0.261 4.409 -3.307 1.00 42.01 H new ATOM 0 HD23 LEU A 18 0.344 2.738 -3.385 1.00 42.01 H new ATOM 232 N VAL A 19 -0.891 1.011 -4.634 1.00 71.31 N ATOM 233 CA VAL A 19 -0.844 0.044 -3.543 1.00 71.34 C ATOM 234 C VAL A 19 -0.596 -1.365 -4.068 1.00 23.24 C ATOM 235 O VAL A 19 0.346 -2.038 -3.647 1.00 65.32 O ATOM 236 CB VAL A 19 -2.152 0.053 -2.729 1.00 44.23 C ATOM 237 CG1 VAL A 19 -2.431 -1.326 -2.151 1.00 20.02 C ATOM 238 CG2 VAL A 19 -2.085 1.099 -1.626 1.00 2.22 C ATOM 0 H VAL A 19 -1.776 1.512 -4.717 1.00 71.31 H new ATOM 0 HA VAL A 19 -0.018 0.338 -2.895 1.00 71.34 H new ATOM 0 HB VAL A 19 -2.973 0.313 -3.396 1.00 44.23 H new ATOM 0 HG11 VAL A 19 -3.359 -1.300 -1.579 1.00 20.02 H new ATOM 0 HG12 VAL A 19 -2.525 -2.048 -2.962 1.00 20.02 H new ATOM 0 HG13 VAL A 19 -1.610 -1.619 -1.497 1.00 20.02 H new ATOM 0 HG21 VAL A 19 -3.017 1.092 -1.061 1.00 2.22 H new ATOM 0 HG22 VAL A 19 -1.254 0.871 -0.958 1.00 2.22 H new ATOM 0 HG23 VAL A 19 -1.936 2.084 -2.068 1.00 2.22 H new ATOM 248 N ARG A 20 -1.445 -1.806 -4.990 1.00 23.12 N ATOM 249 CA ARG A 20 -1.317 -3.136 -5.573 1.00 1.03 C ATOM 250 C ARG A 20 0.053 -3.316 -6.222 1.00 72.51 C ATOM 251 O ARG A 20 0.654 -4.388 -6.137 1.00 1.13 O ATOM 252 CB ARG A 20 -2.418 -3.370 -6.609 1.00 52.11 C ATOM 253 CG ARG A 20 -3.810 -3.473 -6.006 1.00 2.21 C ATOM 254 CD ARG A 20 -4.882 -3.507 -7.083 1.00 5.42 C ATOM 255 NE ARG A 20 -4.660 -4.586 -8.042 1.00 3.42 N ATOM 256 CZ ARG A 20 -3.979 -4.436 -9.173 1.00 12.24 C ATOM 257 NH1 ARG A 20 -3.454 -3.258 -9.483 1.00 24.21 N ATOM 258 NH2 ARG A 20 -3.819 -5.466 -9.995 1.00 52.22 N ATOM 0 H ARG A 20 -2.229 -1.262 -5.349 1.00 23.12 H new ATOM 0 HA ARG A 20 -1.420 -3.868 -4.772 1.00 1.03 H new ATOM 0 HB2 ARG A 20 -2.404 -2.555 -7.332 1.00 52.11 H new ATOM 0 HB3 ARG A 20 -2.200 -4.286 -7.158 1.00 52.11 H new ATOM 0 HG2 ARG A 20 -3.877 -4.373 -5.395 1.00 2.21 H new ATOM 0 HG3 ARG A 20 -3.985 -2.625 -5.344 1.00 2.21 H new ATOM 0 HD2 ARG A 20 -5.860 -3.631 -6.618 1.00 5.42 H new ATOM 0 HD3 ARG A 20 -4.898 -2.552 -7.609 1.00 5.42 H new ATOM 0 HE ARG A 20 -5.049 -5.505 -7.832 1.00 3.42 H new ATOM 0 HH11 ARG A 20 -3.573 -2.465 -8.853 1.00 24.21 H new ATOM 0 HH12 ARG A 20 -2.932 -3.145 -10.352 1.00 24.21 H new ATOM 0 HH21 ARG A 20 -4.219 -6.374 -9.759 1.00 52.22 H new ATOM 0 HH22 ARG A 20 -3.296 -5.349 -10.863 1.00 52.22 H new ATOM 269 N HIS A 21 0.540 -2.263 -6.868 1.00 44.52 N ATOM 270 CA HIS A 21 1.838 -2.305 -7.531 1.00 3.23 C ATOM 271 C HIS A 21 2.955 -2.550 -6.522 1.00 15.14 C ATOM 272 O HIS A 21 3.696 -3.528 -6.626 1.00 33.44 O ATOM 273 CB HIS A 21 2.093 -0.998 -8.283 1.00 40.13 C ATOM 274 CG HIS A 21 3.338 -1.020 -9.116 1.00 51.32 C ATOM 275 ND1 HIS A 21 3.676 -2.074 -9.938 1.00 71.52 N ATOM 276 CD2 HIS A 21 4.328 -0.107 -9.252 1.00 50.44 C ATOM 277 CE1 HIS A 21 4.821 -1.810 -10.541 1.00 51.41 C ATOM 278 NE2 HIS A 21 5.237 -0.621 -10.143 1.00 41.15 N ATOM 0 H HIS A 21 0.055 -1.369 -6.947 1.00 44.52 H new ATOM 0 HA HIS A 21 1.828 -3.130 -8.244 1.00 3.23 H new ATOM 0 HB2 HIS A 21 1.239 -0.786 -8.926 1.00 40.13 H new ATOM 0 HB3 HIS A 21 2.161 -0.182 -7.564 1.00 40.13 H new ATOM 0 HD2 HIS A 21 4.391 0.848 -8.752 1.00 50.44 H new ATOM 0 HE1 HIS A 21 5.331 -2.456 -11.240 1.00 51.41 H new ATOM 0 HE2 HIS A 21 6.094 -0.160 -10.448 1.00 41.15 H new ATOM 285 N LEU A 22 3.071 -1.657 -5.545 1.00 1.32 N ATOM 286 CA LEU A 22 4.099 -1.775 -4.517 1.00 62.15 C ATOM 287 C LEU A 22 4.003 -3.121 -3.805 1.00 13.23 C ATOM 288 O LEU A 22 5.010 -3.794 -3.590 1.00 25.14 O ATOM 289 CB LEU A 22 3.966 -0.637 -3.502 1.00 23.43 C ATOM 290 CG LEU A 22 3.876 0.773 -4.084 1.00 3.15 C ATOM 291 CD1 LEU A 22 2.958 1.641 -3.240 1.00 51.34 C ATOM 292 CD2 LEU A 22 5.260 1.399 -4.183 1.00 25.15 C ATOM 0 H LEU A 22 2.465 -0.843 -5.443 1.00 1.32 H new ATOM 0 HA LEU A 22 5.073 -1.709 -5.001 1.00 62.15 H new ATOM 0 HB2 LEU A 22 3.076 -0.817 -2.899 1.00 23.43 H new ATOM 0 HB3 LEU A 22 4.822 -0.676 -2.828 1.00 23.43 H new ATOM 0 HG LEU A 22 3.457 0.704 -5.088 1.00 3.15 H new ATOM 0 HD11 LEU A 22 2.906 2.641 -3.670 1.00 51.34 H new ATOM 0 HD12 LEU A 22 1.960 1.203 -3.220 1.00 51.34 H new ATOM 0 HD13 LEU A 22 3.348 1.702 -2.224 1.00 51.34 H new ATOM 0 HD21 LEU A 22 5.176 2.403 -4.600 1.00 25.15 H new ATOM 0 HD22 LEU A 22 5.706 1.454 -3.190 1.00 25.15 H new ATOM 0 HD23 LEU A 22 5.890 0.789 -4.830 1.00 25.15 H new ATOM 303 N VAL A 23 2.784 -3.507 -3.441 1.00 65.34 N ATOM 304 CA VAL A 23 2.556 -4.774 -2.757 1.00 11.53 C ATOM 305 C VAL A 23 2.981 -5.952 -3.626 1.00 71.40 C ATOM 306 O VAL A 23 3.616 -6.892 -3.147 1.00 32.15 O ATOM 307 CB VAL A 23 1.075 -4.943 -2.370 1.00 73.55 C ATOM 308 CG1 VAL A 23 0.845 -6.299 -1.717 1.00 12.25 C ATOM 309 CG2 VAL A 23 0.633 -3.817 -1.448 1.00 53.01 C ATOM 0 H VAL A 23 1.939 -2.960 -3.609 1.00 65.34 H new ATOM 0 HA VAL A 23 3.161 -4.759 -1.851 1.00 11.53 H new ATOM 0 HB VAL A 23 0.473 -4.896 -3.277 1.00 73.55 H new ATOM 0 HG11 VAL A 23 -0.207 -6.401 -1.450 1.00 12.25 H new ATOM 0 HG12 VAL A 23 1.121 -7.090 -2.414 1.00 12.25 H new ATOM 0 HG13 VAL A 23 1.456 -6.378 -0.818 1.00 12.25 H new ATOM 0 HG21 VAL A 23 -0.416 -3.953 -1.185 1.00 53.01 H new ATOM 0 HG22 VAL A 23 1.239 -3.830 -0.542 1.00 53.01 H new ATOM 0 HG23 VAL A 23 0.759 -2.861 -1.955 1.00 53.01 H new ATOM 319 N ALA A 24 2.627 -5.895 -4.905 1.00 61.30 N ATOM 320 CA ALA A 24 2.974 -6.958 -5.842 1.00 55.24 C ATOM 321 C ALA A 24 4.486 -7.117 -5.954 1.00 44.42 C ATOM 322 O ALA A 24 5.009 -8.229 -5.886 1.00 74.04 O ATOM 323 CB ALA A 24 2.367 -6.675 -7.208 1.00 60.43 C ATOM 0 H ALA A 24 2.100 -5.125 -5.317 1.00 61.30 H new ATOM 0 HA ALA A 24 2.564 -7.894 -5.462 1.00 55.24 H new ATOM 0 HB1 ALA A 24 2.634 -7.476 -7.898 1.00 60.43 H new ATOM 0 HB2 ALA A 24 1.282 -6.619 -7.119 1.00 60.43 H new ATOM 0 HB3 ALA A 24 2.750 -5.727 -7.587 1.00 60.43 H new ATOM 329 N GLU A 25 5.183 -5.999 -6.130 1.00 11.42 N ATOM 330 CA GLU A 25 6.636 -6.016 -6.254 1.00 1.31 C ATOM 331 C GLU A 25 7.283 -6.594 -4.999 1.00 54.31 C ATOM 332 O GLU A 25 8.390 -7.130 -5.048 1.00 11.33 O ATOM 333 CB GLU A 25 7.165 -4.604 -6.511 1.00 13.14 C ATOM 334 CG GLU A 25 6.522 -3.919 -7.705 1.00 23.30 C ATOM 335 CD GLU A 25 6.632 -2.408 -7.642 1.00 72.35 C ATOM 336 OE1 GLU A 25 7.704 -1.876 -7.997 1.00 60.31 O ATOM 337 OE2 GLU A 25 5.645 -1.759 -7.236 1.00 73.20 O ATOM 0 H GLU A 25 4.765 -5.070 -6.190 1.00 11.42 H new ATOM 0 HA GLU A 25 6.895 -6.652 -7.100 1.00 1.31 H new ATOM 0 HB2 GLU A 25 6.999 -3.996 -5.622 1.00 13.14 H new ATOM 0 HB3 GLU A 25 8.243 -4.652 -6.668 1.00 13.14 H new ATOM 0 HG2 GLU A 25 6.994 -4.276 -8.621 1.00 23.30 H new ATOM 0 HG3 GLU A 25 5.470 -4.201 -7.757 1.00 23.30 H new ATOM 342 N ARG A 26 6.584 -6.479 -3.874 1.00 73.23 N ATOM 343 CA ARG A 26 7.089 -6.988 -2.605 1.00 31.01 C ATOM 344 C ARG A 26 6.962 -8.507 -2.538 1.00 42.42 C ATOM 345 O ARG A 26 7.663 -9.166 -1.772 1.00 20.21 O ATOM 346 CB ARG A 26 6.333 -6.350 -1.438 1.00 31.22 C ATOM 347 CG ARG A 26 6.840 -4.966 -1.068 1.00 14.04 C ATOM 348 CD ARG A 26 7.729 -5.009 0.166 1.00 61.34 C ATOM 349 NE ARG A 26 9.128 -5.250 -0.176 1.00 65.00 N ATOM 350 CZ ARG A 26 10.075 -5.484 0.726 1.00 51.21 C ATOM 351 NH1 ARG A 26 9.774 -5.507 2.017 1.00 21.40 N ATOM 352 NH2 ARG A 26 11.327 -5.694 0.336 1.00 52.34 N ATOM 0 H ARG A 26 5.666 -6.038 -3.816 1.00 73.23 H new ATOM 0 HA ARG A 26 8.145 -6.726 -2.532 1.00 31.01 H new ATOM 0 HB2 ARG A 26 5.276 -6.284 -1.694 1.00 31.22 H new ATOM 0 HB3 ARG A 26 6.410 -7.001 -0.567 1.00 31.22 H new ATOM 0 HG2 ARG A 26 7.398 -4.546 -1.905 1.00 14.04 H new ATOM 0 HG3 ARG A 26 5.993 -4.304 -0.885 1.00 14.04 H new ATOM 0 HD2 ARG A 26 7.645 -4.066 0.706 1.00 61.34 H new ATOM 0 HD3 ARG A 26 7.380 -5.793 0.837 1.00 61.34 H new ATOM 0 HE ARG A 26 9.393 -5.238 -1.161 1.00 65.00 H new ATOM 0 HH11 ARG A 26 8.814 -5.345 2.320 1.00 21.40 H new ATOM 0 HH12 ARG A 26 10.503 -5.687 2.707 1.00 21.40 H new ATOM 0 HH21 ARG A 26 11.562 -5.676 -0.656 1.00 52.34 H new ATOM 0 HH22 ARG A 26 12.054 -5.874 1.029 1.00 52.34 H new ATOM 363 N ALA A 27 6.059 -9.056 -3.345 1.00 2.34 N ATOM 364 CA ALA A 27 5.841 -10.497 -3.379 1.00 71.11 C ATOM 365 C ALA A 27 6.592 -11.139 -4.541 1.00 52.21 C ATOM 366 O ALA A 27 6.417 -12.323 -4.824 1.00 3.00 O ATOM 367 CB ALA A 27 4.354 -10.803 -3.475 1.00 43.52 C ATOM 0 H ALA A 27 5.467 -8.525 -3.983 1.00 2.34 H new ATOM 0 HA ALA A 27 6.229 -10.920 -2.453 1.00 71.11 H new ATOM 0 HB1 ALA A 27 4.206 -11.883 -3.500 1.00 43.52 H new ATOM 0 HB2 ALA A 27 3.840 -10.386 -2.609 1.00 43.52 H new ATOM 0 HB3 ALA A 27 3.949 -10.360 -4.385 1.00 43.52 H new ATOM 373 N GLU A 28 7.426 -10.349 -5.210 1.00 75.30 N ATOM 374 CA GLU A 28 8.202 -10.842 -6.342 1.00 34.22 C ATOM 375 C GLU A 28 7.284 -11.311 -7.466 1.00 24.21 C ATOM 376 O GLU A 28 7.242 -12.498 -7.794 1.00 41.31 O ATOM 377 CB GLU A 28 9.116 -11.987 -5.902 1.00 63.45 C ATOM 378 CG GLU A 28 10.324 -12.182 -6.802 1.00 62.12 C ATOM 379 CD GLU A 28 11.429 -11.184 -6.519 1.00 14.11 C ATOM 380 OE1 GLU A 28 11.829 -11.059 -5.343 1.00 31.21 O ATOM 381 OE2 GLU A 28 11.895 -10.528 -7.474 1.00 72.15 O ATOM 0 H GLU A 28 7.582 -9.366 -4.988 1.00 75.30 H new ATOM 0 HA GLU A 28 8.815 -10.022 -6.715 1.00 34.22 H new ATOM 0 HB2 GLU A 28 9.458 -11.797 -4.885 1.00 63.45 H new ATOM 0 HB3 GLU A 28 8.539 -12.912 -5.877 1.00 63.45 H new ATOM 0 HG2 GLU A 28 10.710 -13.193 -6.671 1.00 62.12 H new ATOM 0 HG3 GLU A 28 10.015 -12.091 -7.843 1.00 62.12 H new ATOM 386 N LEU A 29 6.550 -10.373 -8.053 1.00 4.15 N ATOM 387 CA LEU A 29 5.632 -10.689 -9.142 1.00 0.12 C ATOM 388 C LEU A 29 5.608 -9.568 -10.177 1.00 61.45 C ATOM 389 O LEU A 29 5.981 -8.427 -9.902 1.00 62.31 O ATOM 390 CB LEU A 29 4.223 -10.923 -8.595 1.00 24.01 C ATOM 391 CG LEU A 29 3.964 -12.296 -7.974 1.00 71.31 C ATOM 392 CD1 LEU A 29 2.613 -12.319 -7.275 1.00 21.41 C ATOM 393 CD2 LEU A 29 4.037 -13.384 -9.035 1.00 11.05 C ATOM 0 H LEU A 29 6.572 -9.387 -7.793 1.00 4.15 H new ATOM 0 HA LEU A 29 5.983 -11.599 -9.628 1.00 0.12 H new ATOM 0 HB2 LEU A 29 4.016 -10.161 -7.843 1.00 24.01 H new ATOM 0 HB3 LEU A 29 3.510 -10.773 -9.406 1.00 24.01 H new ATOM 0 HG LEU A 29 4.738 -12.490 -7.231 1.00 71.31 H new ATOM 0 HD11 LEU A 29 2.446 -13.304 -6.839 1.00 21.41 H new ATOM 0 HD12 LEU A 29 2.598 -11.566 -6.487 1.00 21.41 H new ATOM 0 HD13 LEU A 29 1.826 -12.104 -7.998 1.00 21.41 H new ATOM 0 HD21 LEU A 29 3.850 -14.354 -8.575 1.00 11.05 H new ATOM 0 HD22 LEU A 29 3.286 -13.195 -9.802 1.00 11.05 H new ATOM 0 HD23 LEU A 29 5.028 -13.383 -9.490 1.00 11.05 H new ATOM 404 N PRO A 30 5.157 -9.899 -11.397 1.00 15.22 N ATOM 405 CA PRO A 30 5.071 -8.933 -12.497 1.00 74.51 C ATOM 406 C PRO A 30 3.982 -7.891 -12.268 1.00 43.51 C ATOM 407 O PRO A 30 3.741 -7.033 -13.119 1.00 42.23 O ATOM 408 CB PRO A 30 4.731 -9.805 -13.708 1.00 12.00 C ATOM 409 CG PRO A 30 4.055 -11.003 -13.134 1.00 42.12 C ATOM 410 CD PRO A 30 4.696 -11.239 -11.795 1.00 72.41 C ATOM 0 HA PRO A 30 5.992 -8.361 -12.611 1.00 74.51 H new ATOM 0 HB2 PRO A 30 4.079 -9.278 -14.405 1.00 12.00 H new ATOM 0 HB3 PRO A 30 5.629 -10.083 -14.260 1.00 12.00 H new ATOM 0 HG2 PRO A 30 2.983 -10.833 -13.029 1.00 42.12 H new ATOM 0 HG3 PRO A 30 4.178 -11.869 -13.784 1.00 42.12 H new ATOM 0 HD2 PRO A 30 3.987 -11.650 -11.077 1.00 72.41 H new ATOM 0 HD3 PRO A 30 5.524 -11.945 -11.865 1.00 72.41 H new ATOM 415 N VAL A 31 3.326 -7.969 -11.115 1.00 1.32 N ATOM 416 CA VAL A 31 2.263 -7.030 -10.775 1.00 40.31 C ATOM 417 C VAL A 31 0.977 -7.362 -11.522 1.00 61.11 C ATOM 418 O VAL A 31 -0.113 -7.317 -10.953 1.00 75.23 O ATOM 419 CB VAL A 31 2.671 -5.580 -11.095 1.00 2.33 C ATOM 420 CG1 VAL A 31 1.557 -4.615 -10.716 1.00 60.51 C ATOM 421 CG2 VAL A 31 3.965 -5.220 -10.381 1.00 65.31 C ATOM 0 H VAL A 31 3.512 -8.673 -10.400 1.00 1.32 H new ATOM 0 HA VAL A 31 2.090 -7.122 -9.703 1.00 40.31 H new ATOM 0 HB VAL A 31 2.841 -5.498 -12.169 1.00 2.33 H new ATOM 0 HG11 VAL A 31 1.864 -3.595 -10.949 1.00 60.51 H new ATOM 0 HG12 VAL A 31 0.656 -4.861 -11.278 1.00 60.51 H new ATOM 0 HG13 VAL A 31 1.352 -4.697 -9.649 1.00 60.51 H new ATOM 0 HG21 VAL A 31 4.238 -4.192 -10.619 1.00 65.31 H new ATOM 0 HG22 VAL A 31 3.826 -5.319 -9.304 1.00 65.31 H new ATOM 0 HG23 VAL A 31 4.760 -5.891 -10.707 1.00 65.31 H new ATOM 431 N GLU A 32 1.112 -7.696 -12.802 1.00 0.20 N ATOM 432 CA GLU A 32 -0.041 -8.036 -13.628 1.00 32.11 C ATOM 433 C GLU A 32 -0.799 -9.224 -13.043 1.00 33.43 C ATOM 434 O GLU A 32 -1.958 -9.462 -13.381 1.00 53.12 O ATOM 435 CB GLU A 32 0.404 -8.354 -15.058 1.00 35.41 C ATOM 436 CG GLU A 32 1.154 -9.670 -15.182 1.00 43.02 C ATOM 437 CD GLU A 32 0.387 -10.705 -15.982 1.00 1.01 C ATOM 438 OE1 GLU A 32 -0.607 -11.246 -15.453 1.00 45.33 O ATOM 439 OE2 GLU A 32 0.780 -10.974 -17.136 1.00 50.41 O ATOM 0 H GLU A 32 2.007 -7.738 -13.289 1.00 0.20 H new ATOM 0 HA GLU A 32 -0.709 -7.175 -13.646 1.00 32.11 H new ATOM 0 HB2 GLU A 32 -0.473 -8.383 -15.705 1.00 35.41 H new ATOM 0 HB3 GLU A 32 1.041 -7.547 -15.420 1.00 35.41 H new ATOM 0 HG2 GLU A 32 2.119 -9.491 -15.657 1.00 43.02 H new ATOM 0 HG3 GLU A 32 1.357 -10.063 -14.186 1.00 43.02 H new ATOM 444 N VAL A 33 -0.134 -9.967 -12.163 1.00 15.21 N ATOM 445 CA VAL A 33 -0.744 -11.130 -11.530 1.00 14.22 C ATOM 446 C VAL A 33 -1.422 -10.749 -10.218 1.00 63.32 C ATOM 447 O VAL A 33 -2.087 -11.573 -9.588 1.00 21.43 O ATOM 448 CB VAL A 33 0.299 -12.230 -11.255 1.00 71.34 C ATOM 449 CG1 VAL A 33 1.109 -12.521 -12.508 1.00 25.31 C ATOM 450 CG2 VAL A 33 1.207 -11.828 -10.103 1.00 53.31 C ATOM 0 H VAL A 33 0.827 -9.784 -11.873 1.00 15.21 H new ATOM 0 HA VAL A 33 -1.492 -11.513 -12.224 1.00 14.22 H new ATOM 0 HB VAL A 33 -0.226 -13.142 -10.971 1.00 71.34 H new ATOM 0 HG11 VAL A 33 1.841 -13.300 -12.295 1.00 25.31 H new ATOM 0 HG12 VAL A 33 0.442 -12.856 -13.303 1.00 25.31 H new ATOM 0 HG13 VAL A 33 1.626 -11.615 -12.826 1.00 25.31 H new ATOM 0 HG21 VAL A 33 1.937 -12.617 -9.923 1.00 53.31 H new ATOM 0 HG22 VAL A 33 1.726 -10.903 -10.355 1.00 53.31 H new ATOM 0 HG23 VAL A 33 0.609 -11.675 -9.205 1.00 53.31 H new ATOM 460 N LEU A 34 -1.252 -9.496 -9.813 1.00 1.41 N ATOM 461 CA LEU A 34 -1.849 -9.004 -8.576 1.00 11.12 C ATOM 462 C LEU A 34 -3.367 -8.931 -8.695 1.00 61.31 C ATOM 463 O LEU A 34 -3.900 -8.227 -9.552 1.00 45.00 O ATOM 464 CB LEU A 34 -1.286 -7.625 -8.229 1.00 52.42 C ATOM 465 CG LEU A 34 -1.138 -7.315 -6.739 1.00 71.44 C ATOM 466 CD1 LEU A 34 -2.503 -7.105 -6.099 1.00 13.43 C ATOM 467 CD2 LEU A 34 -0.385 -8.433 -6.034 1.00 25.14 C ATOM 0 H LEU A 34 -0.706 -8.802 -10.323 1.00 1.41 H new ATOM 0 HA LEU A 34 -1.600 -9.703 -7.778 1.00 11.12 H new ATOM 0 HB2 LEU A 34 -0.308 -7.526 -8.699 1.00 52.42 H new ATOM 0 HB3 LEU A 34 -1.932 -6.868 -8.674 1.00 52.42 H new ATOM 0 HG LEU A 34 -0.564 -6.394 -6.635 1.00 71.44 H new ATOM 0 HD11 LEU A 34 -2.378 -6.885 -5.039 1.00 13.43 H new ATOM 0 HD12 LEU A 34 -3.008 -6.270 -6.585 1.00 13.43 H new ATOM 0 HD13 LEU A 34 -3.102 -8.009 -6.214 1.00 13.43 H new ATOM 0 HD21 LEU A 34 -0.289 -8.195 -4.975 1.00 25.14 H new ATOM 0 HD22 LEU A 34 -0.932 -9.369 -6.148 1.00 25.14 H new ATOM 0 HD23 LEU A 34 0.607 -8.537 -6.474 1.00 25.14 H new ATOM 478 N ARG A 35 -4.060 -9.662 -7.828 1.00 32.55 N ATOM 479 CA ARG A 35 -5.517 -9.680 -7.834 1.00 5.11 C ATOM 480 C ARG A 35 -6.079 -8.622 -6.889 1.00 11.21 C ATOM 481 O ARG A 35 -5.396 -8.173 -5.969 1.00 75.41 O ATOM 482 CB ARG A 35 -6.034 -11.063 -7.434 1.00 12.21 C ATOM 483 CG ARG A 35 -7.141 -11.584 -8.334 1.00 42.21 C ATOM 484 CD ARG A 35 -6.622 -11.906 -9.727 1.00 20.14 C ATOM 485 NE ARG A 35 -6.226 -13.306 -9.853 1.00 20.12 N ATOM 486 CZ ARG A 35 -5.667 -13.816 -10.945 1.00 5.01 C ATOM 487 NH1 ARG A 35 -5.441 -13.045 -12.000 1.00 74.43 N ATOM 488 NH2 ARG A 35 -5.334 -15.101 -10.983 1.00 11.13 N ATOM 0 H ARG A 35 -3.635 -10.250 -7.112 1.00 32.55 H new ATOM 0 HA ARG A 35 -5.853 -9.453 -8.846 1.00 5.11 H new ATOM 0 HB2 ARG A 35 -5.204 -11.769 -7.447 1.00 12.21 H new ATOM 0 HB3 ARG A 35 -6.401 -11.022 -6.408 1.00 12.21 H new ATOM 0 HG2 ARG A 35 -7.580 -12.479 -7.892 1.00 42.21 H new ATOM 0 HG3 ARG A 35 -7.935 -10.841 -8.403 1.00 42.21 H new ATOM 0 HD2 ARG A 35 -7.394 -11.680 -10.463 1.00 20.14 H new ATOM 0 HD3 ARG A 35 -5.769 -11.266 -9.953 1.00 20.14 H new ATOM 0 HE ARG A 35 -6.387 -13.926 -9.059 1.00 20.12 H new ATOM 0 HH11 ARG A 35 -5.696 -12.058 -11.974 1.00 74.43 H new ATOM 0 HH12 ARG A 35 -5.012 -13.439 -12.837 1.00 74.43 H new ATOM 0 HH21 ARG A 35 -5.507 -15.697 -10.174 1.00 11.13 H new ATOM 0 HH22 ARG A 35 -4.905 -15.492 -11.822 1.00 11.13 H new ATOM 499 N ASP A 36 -7.325 -8.228 -7.125 1.00 34.22 N ATOM 500 CA ASP A 36 -7.979 -7.223 -6.294 1.00 61.44 C ATOM 501 C ASP A 36 -8.363 -7.805 -4.937 1.00 20.31 C ATOM 502 O ASP A 36 -8.497 -7.078 -3.953 1.00 31.13 O ATOM 503 CB ASP A 36 -9.222 -6.677 -6.999 1.00 64.32 C ATOM 504 CG ASP A 36 -9.047 -6.599 -8.503 1.00 35.32 C ATOM 505 OD1 ASP A 36 -7.944 -6.223 -8.952 1.00 3.03 O ATOM 506 OD2 ASP A 36 -10.011 -6.913 -9.230 1.00 53.25 O ATOM 0 H ASP A 36 -7.903 -8.589 -7.884 1.00 34.22 H new ATOM 0 HA ASP A 36 -7.275 -6.407 -6.133 1.00 61.44 H new ATOM 0 HB2 ASP A 36 -10.076 -7.313 -6.768 1.00 64.32 H new ATOM 0 HB3 ASP A 36 -9.450 -5.684 -6.611 1.00 64.32 H new ATOM 510 N ASP A 37 -8.541 -9.121 -4.893 1.00 72.20 N ATOM 511 CA ASP A 37 -8.910 -9.802 -3.657 1.00 42.41 C ATOM 512 C ASP A 37 -7.714 -10.541 -3.065 1.00 3.40 C ATOM 513 O ASP A 37 -7.873 -11.437 -2.237 1.00 53.30 O ATOM 514 CB ASP A 37 -10.056 -10.783 -3.912 1.00 23.04 C ATOM 515 CG ASP A 37 -11.287 -10.100 -4.475 1.00 61.13 C ATOM 516 OD1 ASP A 37 -12.028 -9.472 -3.689 1.00 21.40 O ATOM 517 OD2 ASP A 37 -11.512 -10.195 -5.700 1.00 75.30 O ATOM 0 H ASP A 37 -8.436 -9.737 -5.699 1.00 72.20 H new ATOM 0 HA ASP A 37 -9.239 -9.049 -2.941 1.00 42.41 H new ATOM 0 HB2 ASP A 37 -9.723 -11.555 -4.606 1.00 23.04 H new ATOM 0 HB3 ASP A 37 -10.316 -11.284 -2.980 1.00 23.04 H new ATOM 521 N SER A 38 -6.516 -10.159 -3.498 1.00 73.34 N ATOM 522 CA SER A 38 -5.293 -10.788 -3.014 1.00 62.40 C ATOM 523 C SER A 38 -4.977 -10.341 -1.591 1.00 30.02 C ATOM 524 O SER A 38 -4.619 -9.186 -1.356 1.00 64.14 O ATOM 525 CB SER A 38 -4.122 -10.452 -3.939 1.00 11.15 C ATOM 526 OG SER A 38 -2.945 -10.185 -3.195 1.00 71.41 O ATOM 0 H SER A 38 -6.367 -9.418 -4.182 1.00 73.34 H new ATOM 0 HA SER A 38 -5.446 -11.867 -3.010 1.00 62.40 H new ATOM 0 HB2 SER A 38 -3.944 -11.283 -4.622 1.00 11.15 H new ATOM 0 HB3 SER A 38 -4.374 -9.585 -4.550 1.00 11.15 H new ATOM 0 HG SER A 38 -2.638 -9.274 -3.384 1.00 71.41 H new ATOM 531 N ARG A 39 -5.113 -11.263 -0.643 1.00 15.35 N ATOM 532 CA ARG A 39 -4.843 -10.964 0.758 1.00 74.02 C ATOM 533 C ARG A 39 -3.355 -10.712 0.984 1.00 73.14 C ATOM 534 O ARG A 39 -2.517 -11.120 0.180 1.00 41.34 O ATOM 535 CB ARG A 39 -5.318 -12.114 1.648 1.00 20.31 C ATOM 536 CG ARG A 39 -6.689 -12.651 1.270 1.00 33.04 C ATOM 537 CD ARG A 39 -7.360 -13.342 2.446 1.00 13.40 C ATOM 538 NE ARG A 39 -8.554 -12.627 2.892 1.00 11.04 N ATOM 539 CZ ARG A 39 -9.703 -12.627 2.225 1.00 24.34 C ATOM 540 NH1 ARG A 39 -9.812 -13.300 1.088 1.00 52.55 N ATOM 541 NH2 ARG A 39 -10.745 -11.953 2.695 1.00 23.14 N ATOM 0 H ARG A 39 -5.409 -12.223 -0.820 1.00 15.35 H new ATOM 0 HA ARG A 39 -5.391 -10.059 1.022 1.00 74.02 H new ATOM 0 HB2 ARG A 39 -4.592 -12.926 1.596 1.00 20.31 H new ATOM 0 HB3 ARG A 39 -5.343 -11.774 2.683 1.00 20.31 H new ATOM 0 HG2 ARG A 39 -7.318 -11.832 0.921 1.00 33.04 H new ATOM 0 HG3 ARG A 39 -6.590 -13.353 0.442 1.00 33.04 H new ATOM 0 HD2 ARG A 39 -7.631 -14.359 2.162 1.00 13.40 H new ATOM 0 HD3 ARG A 39 -6.654 -13.419 3.273 1.00 13.40 H new ATOM 0 HE ARG A 39 -8.502 -12.099 3.763 1.00 11.04 H new ATOM 0 HH11 ARG A 39 -9.013 -13.819 0.724 1.00 52.55 H new ATOM 0 HH12 ARG A 39 -10.695 -13.299 0.577 1.00 52.55 H new ATOM 0 HH21 ARG A 39 -10.664 -11.434 3.569 1.00 23.14 H new ATOM 0 HH22 ARG A 39 -11.627 -11.954 2.182 1.00 23.14 H new ATOM 552 N PHE A 40 -3.036 -10.037 2.083 1.00 34.23 N ATOM 553 CA PHE A 40 -1.649 -9.729 2.414 1.00 31.30 C ATOM 554 C PHE A 40 -0.986 -10.905 3.128 1.00 44.23 C ATOM 555 O PHE A 40 0.091 -10.767 3.707 1.00 13.23 O ATOM 556 CB PHE A 40 -1.578 -8.479 3.294 1.00 22.33 C ATOM 557 CG PHE A 40 -2.222 -7.273 2.673 1.00 41.13 C ATOM 558 CD1 PHE A 40 -1.724 -6.732 1.499 1.00 40.11 C ATOM 559 CD2 PHE A 40 -3.326 -6.680 3.265 1.00 11.41 C ATOM 560 CE1 PHE A 40 -2.316 -5.622 0.925 1.00 30.23 C ATOM 561 CE2 PHE A 40 -3.922 -5.570 2.696 1.00 2.14 C ATOM 562 CZ PHE A 40 -3.415 -5.040 1.525 1.00 54.14 C ATOM 0 H PHE A 40 -3.718 -9.693 2.759 1.00 34.23 H new ATOM 0 HA PHE A 40 -1.113 -9.542 1.484 1.00 31.30 H new ATOM 0 HB2 PHE A 40 -2.061 -8.688 4.248 1.00 22.33 H new ATOM 0 HB3 PHE A 40 -0.533 -8.254 3.508 1.00 22.33 H new ATOM 0 HD1 PHE A 40 -0.864 -7.182 1.027 1.00 40.11 H new ATOM 0 HD2 PHE A 40 -3.725 -7.090 4.181 1.00 11.41 H new ATOM 0 HE1 PHE A 40 -1.919 -5.211 0.009 1.00 30.23 H new ATOM 0 HE2 PHE A 40 -4.783 -5.118 3.166 1.00 2.14 H new ATOM 0 HZ PHE A 40 -3.878 -4.172 1.080 1.00 54.14 H new ATOM 571 N LEU A 41 -1.639 -12.061 3.081 1.00 22.21 N ATOM 572 CA LEU A 41 -1.115 -13.262 3.723 1.00 13.33 C ATOM 573 C LEU A 41 -1.570 -14.517 2.985 1.00 54.33 C ATOM 574 O LEU A 41 -0.788 -15.443 2.774 1.00 3.33 O ATOM 575 CB LEU A 41 -1.567 -13.323 5.183 1.00 4.55 C ATOM 576 CG LEU A 41 -1.502 -12.007 5.960 1.00 33.24 C ATOM 577 CD1 LEU A 41 -2.788 -11.216 5.780 1.00 4.45 C ATOM 578 CD2 LEU A 41 -1.241 -12.273 7.436 1.00 34.41 C ATOM 0 H LEU A 41 -2.532 -12.192 2.605 1.00 22.21 H new ATOM 0 HA LEU A 41 -0.027 -13.217 3.688 1.00 13.33 H new ATOM 0 HB2 LEU A 41 -2.594 -13.688 5.210 1.00 4.55 H new ATOM 0 HB3 LEU A 41 -0.954 -14.059 5.702 1.00 4.55 H new ATOM 0 HG LEU A 41 -0.677 -11.414 5.565 1.00 33.24 H new ATOM 0 HD11 LEU A 41 -2.723 -10.283 6.340 1.00 4.45 H new ATOM 0 HD12 LEU A 41 -2.934 -10.995 4.723 1.00 4.45 H new ATOM 0 HD13 LEU A 41 -3.630 -11.802 6.148 1.00 4.45 H new ATOM 0 HD21 LEU A 41 -1.198 -11.326 7.974 1.00 34.41 H new ATOM 0 HD22 LEU A 41 -2.046 -12.885 7.843 1.00 34.41 H new ATOM 0 HD23 LEU A 41 -0.293 -12.798 7.549 1.00 34.41 H new ATOM 589 N ASP A 42 -2.840 -14.538 2.594 1.00 31.00 N ATOM 590 CA ASP A 42 -3.399 -15.678 1.876 1.00 34.13 C ATOM 591 C ASP A 42 -2.607 -15.961 0.603 1.00 14.14 C ATOM 592 O ASP A 42 -2.194 -17.094 0.357 1.00 5.23 O ATOM 593 CB ASP A 42 -4.867 -15.420 1.531 1.00 22.14 C ATOM 594 CG ASP A 42 -5.595 -16.685 1.122 1.00 43.35 C ATOM 595 OD1 ASP A 42 -5.592 -17.653 1.910 1.00 64.42 O ATOM 596 OD2 ASP A 42 -6.170 -16.706 0.013 1.00 63.24 O ATOM 0 H ASP A 42 -3.501 -13.780 2.762 1.00 31.00 H new ATOM 0 HA ASP A 42 -3.334 -16.552 2.524 1.00 34.13 H new ATOM 0 HB2 ASP A 42 -5.368 -14.978 2.393 1.00 22.14 H new ATOM 0 HB3 ASP A 42 -4.925 -14.693 0.721 1.00 22.14 H new ATOM 600 N ASP A 43 -2.399 -14.924 -0.200 1.00 43.32 N ATOM 601 CA ASP A 43 -1.657 -15.060 -1.448 1.00 31.41 C ATOM 602 C ASP A 43 -0.318 -14.333 -1.366 1.00 64.32 C ATOM 603 O ASP A 43 0.733 -14.909 -1.653 1.00 75.44 O ATOM 604 CB ASP A 43 -2.477 -14.515 -2.618 1.00 53.22 C ATOM 605 CG ASP A 43 -2.921 -15.606 -3.572 1.00 52.25 C ATOM 606 OD1 ASP A 43 -3.119 -16.751 -3.114 1.00 12.31 O ATOM 607 OD2 ASP A 43 -3.070 -15.315 -4.778 1.00 21.25 O ATOM 0 H ASP A 43 -2.734 -13.980 -0.009 1.00 43.32 H new ATOM 0 HA ASP A 43 -1.465 -16.120 -1.613 1.00 31.41 H new ATOM 0 HB2 ASP A 43 -3.354 -13.995 -2.232 1.00 53.22 H new ATOM 0 HB3 ASP A 43 -1.884 -13.780 -3.162 1.00 53.22 H new ATOM 611 N LEU A 44 -0.363 -13.064 -0.976 1.00 52.04 N ATOM 612 CA LEU A 44 0.845 -12.257 -0.857 1.00 51.31 C ATOM 613 C LEU A 44 1.774 -12.819 0.214 1.00 74.43 C ATOM 614 O LEU A 44 2.983 -12.591 0.186 1.00 2.43 O ATOM 615 CB LEU A 44 0.483 -10.808 -0.524 1.00 30.14 C ATOM 616 CG LEU A 44 -0.453 -10.107 -1.508 1.00 42.55 C ATOM 617 CD1 LEU A 44 -0.919 -8.774 -0.944 1.00 40.53 C ATOM 618 CD2 LEU A 44 0.236 -9.909 -2.851 1.00 41.30 C ATOM 0 H LEU A 44 -1.224 -12.572 -0.737 1.00 52.04 H new ATOM 0 HA LEU A 44 1.366 -12.285 -1.814 1.00 51.31 H new ATOM 0 HB2 LEU A 44 0.021 -10.788 0.463 1.00 30.14 H new ATOM 0 HB3 LEU A 44 1.405 -10.231 -0.456 1.00 30.14 H new ATOM 0 HG LEU A 44 -1.328 -10.739 -1.661 1.00 42.55 H new ATOM 0 HD11 LEU A 44 -1.584 -8.289 -1.658 1.00 40.53 H new ATOM 0 HD12 LEU A 44 -1.451 -8.941 -0.008 1.00 40.53 H new ATOM 0 HD13 LEU A 44 -0.055 -8.135 -0.761 1.00 40.53 H new ATOM 0 HD21 LEU A 44 -0.445 -9.409 -3.539 1.00 41.30 H new ATOM 0 HD22 LEU A 44 1.129 -9.298 -2.715 1.00 41.30 H new ATOM 0 HD23 LEU A 44 0.519 -10.878 -3.261 1.00 41.30 H new ATOM 629 N HIS A 45 1.199 -13.559 1.158 1.00 22.05 N ATOM 630 CA HIS A 45 1.976 -14.158 2.237 1.00 32.21 C ATOM 631 C HIS A 45 2.897 -13.126 2.882 1.00 54.21 C ATOM 632 O HIS A 45 4.111 -13.318 2.946 1.00 2.45 O ATOM 633 CB HIS A 45 2.799 -15.334 1.711 1.00 2.11 C ATOM 634 CG HIS A 45 3.278 -16.260 2.786 1.00 34.03 C ATOM 635 ND1 HIS A 45 3.335 -15.903 4.117 1.00 44.44 N ATOM 636 CD2 HIS A 45 3.723 -17.537 2.722 1.00 1.20 C ATOM 637 CE1 HIS A 45 3.795 -16.919 4.825 1.00 43.20 C ATOM 638 NE2 HIS A 45 4.038 -17.923 4.002 1.00 43.22 N ATOM 0 H HIS A 45 0.199 -13.758 1.197 1.00 22.05 H new ATOM 0 HA HIS A 45 1.280 -14.521 2.993 1.00 32.21 H new ATOM 0 HB2 HIS A 45 2.197 -15.898 0.999 1.00 2.11 H new ATOM 0 HB3 HIS A 45 3.660 -14.948 1.165 1.00 2.11 H new ATOM 0 HD2 HIS A 45 3.813 -18.140 1.831 1.00 1.20 H new ATOM 0 HE1 HIS A 45 3.947 -16.927 5.894 1.00 43.20 H new ATOM 0 HE2 HIS A 45 4.401 -18.837 4.273 1.00 43.22 H new ATOM 645 N MET A 46 2.310 -12.032 3.358 1.00 25.33 N ATOM 646 CA MET A 46 3.079 -10.970 3.997 1.00 21.13 C ATOM 647 C MET A 46 2.718 -10.853 5.474 1.00 53.13 C ATOM 648 O MET A 46 1.546 -10.719 5.828 1.00 22.13 O ATOM 649 CB MET A 46 2.830 -9.636 3.291 1.00 31.14 C ATOM 650 CG MET A 46 2.822 -9.742 1.775 1.00 33.04 C ATOM 651 SD MET A 46 4.416 -9.324 1.041 1.00 31.40 S ATOM 652 CE MET A 46 4.006 -7.806 0.183 1.00 74.52 C ATOM 0 H MET A 46 1.306 -11.858 3.313 1.00 25.33 H new ATOM 0 HA MET A 46 4.137 -11.222 3.918 1.00 21.13 H new ATOM 0 HB2 MET A 46 1.874 -9.231 3.624 1.00 31.14 H new ATOM 0 HB3 MET A 46 3.599 -8.925 3.593 1.00 31.14 H new ATOM 0 HG2 MET A 46 2.549 -10.757 1.487 1.00 33.04 H new ATOM 0 HG3 MET A 46 2.056 -9.079 1.372 1.00 33.04 H new ATOM 0 HE1 MET A 46 4.059 -7.971 -0.893 1.00 74.52 H new ATOM 0 HE2 MET A 46 2.996 -7.497 0.453 1.00 74.52 H new ATOM 0 HE3 MET A 46 4.713 -7.026 0.466 1.00 74.52 H new ATOM 660 N SER A 47 3.732 -10.904 6.332 1.00 71.31 N ATOM 661 CA SER A 47 3.520 -10.808 7.772 1.00 14.55 C ATOM 662 C SER A 47 3.151 -9.382 8.173 1.00 4.11 C ATOM 663 O SER A 47 3.443 -8.428 7.452 1.00 34.13 O ATOM 664 CB SER A 47 4.777 -11.251 8.524 1.00 73.14 C ATOM 665 OG SER A 47 5.244 -12.499 8.044 1.00 13.01 O ATOM 0 H SER A 47 4.708 -11.011 6.055 1.00 71.31 H new ATOM 0 HA SER A 47 2.694 -11.468 8.038 1.00 14.55 H new ATOM 0 HB2 SER A 47 5.557 -10.499 8.410 1.00 73.14 H new ATOM 0 HB3 SER A 47 4.560 -11.326 9.590 1.00 73.14 H new ATOM 0 HG SER A 47 6.049 -12.760 8.539 1.00 13.01 H new ATOM 670 N SER A 48 2.506 -9.246 9.327 1.00 23.52 N ATOM 671 CA SER A 48 2.093 -7.939 9.823 1.00 4.13 C ATOM 672 C SER A 48 3.238 -6.935 9.728 1.00 74.12 C ATOM 673 O SER A 48 3.028 -5.764 9.413 1.00 73.45 O ATOM 674 CB SER A 48 1.612 -8.047 11.271 1.00 22.21 C ATOM 675 OG SER A 48 2.668 -7.786 12.179 1.00 33.50 O ATOM 0 H SER A 48 2.258 -10.026 9.936 1.00 23.52 H new ATOM 0 HA SER A 48 1.271 -7.585 9.201 1.00 4.13 H new ATOM 0 HB2 SER A 48 0.799 -7.341 11.441 1.00 22.21 H new ATOM 0 HB3 SER A 48 1.211 -9.045 11.451 1.00 22.21 H new ATOM 0 HG SER A 48 2.335 -7.859 13.098 1.00 33.50 H new ATOM 680 N ILE A 49 4.451 -7.403 10.005 1.00 61.54 N ATOM 681 CA ILE A 49 5.630 -6.548 9.952 1.00 3.42 C ATOM 682 C ILE A 49 6.035 -6.261 8.510 1.00 3.13 C ATOM 683 O ILE A 49 6.416 -5.139 8.170 1.00 74.14 O ATOM 684 CB ILE A 49 6.821 -7.185 10.691 1.00 4.32 C ATOM 685 CG1 ILE A 49 6.448 -7.482 12.144 1.00 32.14 C ATOM 686 CG2 ILE A 49 8.035 -6.270 10.625 1.00 1.22 C ATOM 687 CD1 ILE A 49 5.904 -8.877 12.355 1.00 54.25 C ATOM 0 H ILE A 49 4.642 -8.370 10.268 1.00 61.54 H new ATOM 0 HA ILE A 49 5.365 -5.613 10.446 1.00 3.42 H new ATOM 0 HB ILE A 49 7.073 -8.126 10.202 1.00 4.32 H new ATOM 0 HG12 ILE A 49 7.328 -7.345 12.772 1.00 32.14 H new ATOM 0 HG13 ILE A 49 5.705 -6.757 12.475 1.00 32.14 H new ATOM 0 HG21 ILE A 49 8.869 -6.734 11.152 1.00 1.22 H new ATOM 0 HG22 ILE A 49 8.310 -6.105 9.583 1.00 1.22 H new ATOM 0 HG23 ILE A 49 7.796 -5.315 11.093 1.00 1.22 H new ATOM 0 HD11 ILE A 49 5.661 -9.017 13.408 1.00 54.25 H new ATOM 0 HD12 ILE A 49 5.005 -9.012 11.754 1.00 54.25 H new ATOM 0 HD13 ILE A 49 6.654 -9.609 12.055 1.00 54.25 H new ATOM 698 N THR A 50 5.949 -7.282 7.662 1.00 11.25 N ATOM 699 CA THR A 50 6.307 -7.139 6.255 1.00 54.24 C ATOM 700 C THR A 50 5.392 -6.139 5.555 1.00 24.34 C ATOM 701 O THR A 50 5.839 -5.359 4.714 1.00 24.35 O ATOM 702 CB THR A 50 6.232 -8.489 5.518 1.00 24.33 C ATOM 703 OG1 THR A 50 7.166 -9.411 6.090 1.00 60.32 O ATOM 704 CG2 THR A 50 6.529 -8.313 4.037 1.00 64.15 C ATOM 0 H THR A 50 5.635 -8.216 7.925 1.00 11.25 H new ATOM 0 HA THR A 50 7.333 -6.773 6.224 1.00 54.24 H new ATOM 0 HB THR A 50 5.221 -8.882 5.626 1.00 24.33 H new ATOM 0 HG1 THR A 50 7.111 -10.268 5.617 1.00 60.32 H new ATOM 0 HG21 THR A 50 6.470 -9.280 3.537 1.00 64.15 H new ATOM 0 HG22 THR A 50 5.800 -7.632 3.598 1.00 64.15 H new ATOM 0 HG23 THR A 50 7.530 -7.901 3.913 1.00 64.15 H new ATOM 712 N VAL A 51 4.112 -6.167 5.908 1.00 53.15 N ATOM 713 CA VAL A 51 3.136 -5.262 5.314 1.00 53.54 C ATOM 714 C VAL A 51 3.480 -3.808 5.615 1.00 4.01 C ATOM 715 O VAL A 51 3.523 -2.970 4.715 1.00 21.24 O ATOM 716 CB VAL A 51 1.712 -5.557 5.825 1.00 1.01 C ATOM 717 CG1 VAL A 51 0.676 -4.906 4.923 1.00 45.24 C ATOM 718 CG2 VAL A 51 1.482 -7.057 5.920 1.00 71.34 C ATOM 0 H VAL A 51 3.726 -6.807 6.603 1.00 53.15 H new ATOM 0 HA VAL A 51 3.169 -5.425 4.237 1.00 53.54 H new ATOM 0 HB VAL A 51 1.607 -5.132 6.823 1.00 1.01 H new ATOM 0 HG11 VAL A 51 -0.323 -5.125 5.299 1.00 45.24 H new ATOM 0 HG12 VAL A 51 0.831 -3.827 4.911 1.00 45.24 H new ATOM 0 HG13 VAL A 51 0.777 -5.298 3.911 1.00 45.24 H new ATOM 0 HG21 VAL A 51 0.472 -7.248 6.282 1.00 71.34 H new ATOM 0 HG22 VAL A 51 1.605 -7.507 4.935 1.00 71.34 H new ATOM 0 HG23 VAL A 51 2.204 -7.493 6.611 1.00 71.34 H new ATOM 728 N GLY A 52 3.726 -3.514 6.888 1.00 31.32 N ATOM 729 CA GLY A 52 4.064 -2.161 7.286 1.00 34.22 C ATOM 730 C GLY A 52 5.296 -1.637 6.572 1.00 74.52 C ATOM 731 O GLY A 52 5.453 -0.429 6.399 1.00 20.23 O ATOM 0 H GLY A 52 3.697 -4.190 7.651 1.00 31.32 H new ATOM 0 HA2 GLY A 52 3.220 -1.503 7.079 1.00 34.22 H new ATOM 0 HA3 GLY A 52 4.232 -2.134 8.363 1.00 34.22 H new ATOM 735 N GLN A 53 6.171 -2.549 6.161 1.00 3.40 N ATOM 736 CA GLN A 53 7.395 -2.172 5.464 1.00 1.22 C ATOM 737 C GLN A 53 7.081 -1.559 4.104 1.00 2.33 C ATOM 738 O GLN A 53 7.621 -0.513 3.742 1.00 50.14 O ATOM 739 CB GLN A 53 8.304 -3.390 5.291 1.00 3.43 C ATOM 740 CG GLN A 53 8.617 -4.105 6.595 1.00 64.51 C ATOM 741 CD GLN A 53 10.051 -3.902 7.042 1.00 12.33 C ATOM 742 OE1 GLN A 53 10.957 -3.760 6.220 1.00 53.24 O ATOM 743 NE2 GLN A 53 10.266 -3.886 8.353 1.00 61.23 N ATOM 0 H GLN A 53 6.055 -3.553 6.298 1.00 3.40 H new ATOM 0 HA GLN A 53 7.911 -1.425 6.067 1.00 1.22 H new ATOM 0 HB2 GLN A 53 7.830 -4.093 4.606 1.00 3.43 H new ATOM 0 HB3 GLN A 53 9.238 -3.073 4.827 1.00 3.43 H new ATOM 0 HG2 GLN A 53 7.944 -3.745 7.373 1.00 64.51 H new ATOM 0 HG3 GLN A 53 8.425 -5.171 6.475 1.00 64.51 H new ATOM 0 HE21 GLN A 53 9.486 -4.007 8.999 1.00 61.23 H new ATOM 0 HE22 GLN A 53 11.211 -3.752 8.713 1.00 61.23 H new ATOM 750 N LEU A 54 6.205 -2.217 3.352 1.00 1.22 N ATOM 751 CA LEU A 54 5.818 -1.738 2.030 1.00 1.53 C ATOM 752 C LEU A 54 4.736 -0.667 2.133 1.00 30.22 C ATOM 753 O LEU A 54 4.671 0.247 1.312 1.00 35.13 O ATOM 754 CB LEU A 54 5.322 -2.900 1.169 1.00 51.30 C ATOM 755 CG LEU A 54 3.823 -3.198 1.243 1.00 32.24 C ATOM 756 CD1 LEU A 54 3.059 -2.341 0.247 1.00 53.21 C ATOM 757 CD2 LEU A 54 3.561 -4.675 0.990 1.00 32.42 C ATOM 0 H LEU A 54 5.749 -3.084 3.636 1.00 1.22 H new ATOM 0 HA LEU A 54 6.697 -1.296 1.560 1.00 1.53 H new ATOM 0 HB2 LEU A 54 5.580 -2.693 0.131 1.00 51.30 H new ATOM 0 HB3 LEU A 54 5.866 -3.799 1.459 1.00 51.30 H new ATOM 0 HG LEU A 54 3.472 -2.953 2.245 1.00 32.24 H new ATOM 0 HD11 LEU A 54 1.995 -2.567 0.314 1.00 53.21 H new ATOM 0 HD12 LEU A 54 3.221 -1.287 0.474 1.00 53.21 H new ATOM 0 HD13 LEU A 54 3.412 -2.554 -0.762 1.00 53.21 H new ATOM 0 HD21 LEU A 54 2.490 -4.869 1.046 1.00 32.42 H new ATOM 0 HD22 LEU A 54 3.927 -4.945 -0.000 1.00 32.42 H new ATOM 0 HD23 LEU A 54 4.078 -5.270 1.743 1.00 32.42 H new ATOM 768 N VAL A 55 3.887 -0.788 3.150 1.00 4.34 N ATOM 769 CA VAL A 55 2.810 0.170 3.363 1.00 35.22 C ATOM 770 C VAL A 55 3.356 1.584 3.527 1.00 43.43 C ATOM 771 O VAL A 55 2.687 2.561 3.193 1.00 20.10 O ATOM 772 CB VAL A 55 1.975 -0.192 4.606 1.00 62.15 C ATOM 773 CG1 VAL A 55 2.469 0.573 5.823 1.00 32.50 C ATOM 774 CG2 VAL A 55 0.500 0.084 4.355 1.00 65.25 C ATOM 0 H VAL A 55 3.925 -1.540 3.838 1.00 4.34 H new ATOM 0 HA VAL A 55 2.172 0.130 2.480 1.00 35.22 H new ATOM 0 HB VAL A 55 2.094 -1.257 4.804 1.00 62.15 H new ATOM 0 HG11 VAL A 55 1.867 0.304 6.691 1.00 32.50 H new ATOM 0 HG12 VAL A 55 3.512 0.320 6.013 1.00 32.50 H new ATOM 0 HG13 VAL A 55 2.383 1.644 5.639 1.00 32.50 H new ATOM 0 HG21 VAL A 55 -0.075 -0.177 5.243 1.00 65.25 H new ATOM 0 HG22 VAL A 55 0.361 1.142 4.131 1.00 65.25 H new ATOM 0 HG23 VAL A 55 0.156 -0.514 3.511 1.00 65.25 H new ATOM 784 N ASN A 56 4.577 1.685 4.043 1.00 51.41 N ATOM 785 CA ASN A 56 5.213 2.981 4.251 1.00 3.33 C ATOM 786 C ASN A 56 5.573 3.631 2.918 1.00 41.53 C ATOM 787 O ASN A 56 5.521 4.852 2.778 1.00 73.04 O ATOM 788 CB ASN A 56 6.471 2.823 5.109 1.00 43.35 C ATOM 789 CG ASN A 56 6.289 3.379 6.508 1.00 21.14 C ATOM 790 OD1 ASN A 56 5.988 4.559 6.684 1.00 52.34 O ATOM 791 ND2 ASN A 56 6.472 2.529 7.511 1.00 31.43 N ATOM 0 H ASN A 56 5.145 0.886 4.324 1.00 51.41 H new ATOM 0 HA ASN A 56 4.504 3.626 4.770 1.00 3.33 H new ATOM 0 HB2 ASN A 56 6.735 1.767 5.172 1.00 43.35 H new ATOM 0 HB3 ASN A 56 7.305 3.331 4.624 1.00 43.35 H new ATOM 0 HD21 ASN A 56 6.364 2.846 8.474 1.00 31.43 H new ATOM 0 HD22 ASN A 56 6.721 1.559 7.318 1.00 31.43 H new ATOM 797 N GLU A 57 5.936 2.804 1.942 1.00 0.34 N ATOM 798 CA GLU A 57 6.305 3.300 0.621 1.00 42.33 C ATOM 799 C GLU A 57 5.086 3.855 -0.111 1.00 13.24 C ATOM 800 O GLU A 57 5.182 4.845 -0.836 1.00 30.03 O ATOM 801 CB GLU A 57 6.945 2.183 -0.207 1.00 54.13 C ATOM 802 CG GLU A 57 7.882 2.690 -1.291 1.00 71.52 C ATOM 803 CD GLU A 57 9.265 3.016 -0.760 1.00 51.03 C ATOM 804 OE1 GLU A 57 9.461 4.148 -0.273 1.00 12.13 O ATOM 805 OE2 GLU A 57 10.150 2.138 -0.833 1.00 72.01 O ATOM 0 H GLU A 57 5.982 1.790 2.041 1.00 0.34 H new ATOM 0 HA GLU A 57 7.028 4.106 0.752 1.00 42.33 H new ATOM 0 HB2 GLU A 57 7.498 1.520 0.458 1.00 54.13 H new ATOM 0 HB3 GLU A 57 6.157 1.587 -0.669 1.00 54.13 H new ATOM 0 HG2 GLU A 57 7.966 1.937 -2.075 1.00 71.52 H new ATOM 0 HG3 GLU A 57 7.453 3.581 -1.749 1.00 71.52 H new ATOM 810 N ALA A 58 3.941 3.210 0.085 1.00 44.14 N ATOM 811 CA ALA A 58 2.703 3.639 -0.554 1.00 4.30 C ATOM 812 C ALA A 58 2.288 5.025 -0.072 1.00 43.22 C ATOM 813 O ALA A 58 2.048 5.926 -0.876 1.00 21.22 O ATOM 814 CB ALA A 58 1.594 2.632 -0.288 1.00 24.33 C ATOM 0 H ALA A 58 3.845 2.388 0.681 1.00 44.14 H new ATOM 0 HA ALA A 58 2.879 3.694 -1.628 1.00 4.30 H new ATOM 0 HB1 ALA A 58 0.676 2.966 -0.771 1.00 24.33 H new ATOM 0 HB2 ALA A 58 1.882 1.660 -0.688 1.00 24.33 H new ATOM 0 HB3 ALA A 58 1.429 2.548 0.786 1.00 24.33 H new ATOM 820 N ALA A 59 2.205 5.188 1.244 1.00 54.04 N ATOM 821 CA ALA A 59 1.819 6.465 1.833 1.00 4.15 C ATOM 822 C ALA A 59 2.727 7.590 1.345 1.00 43.31 C ATOM 823 O ALA A 59 2.260 8.688 1.040 1.00 63.31 O ATOM 824 CB ALA A 59 1.854 6.378 3.351 1.00 24.44 C ATOM 0 H ALA A 59 2.400 4.452 1.923 1.00 54.04 H new ATOM 0 HA ALA A 59 0.801 6.691 1.516 1.00 4.15 H new ATOM 0 HB1 ALA A 59 1.564 7.338 3.777 1.00 24.44 H new ATOM 0 HB2 ALA A 59 1.161 5.607 3.687 1.00 24.44 H new ATOM 0 HB3 ALA A 59 2.863 6.126 3.678 1.00 24.44 H new ATOM 830 N ARG A 60 4.023 7.310 1.273 1.00 31.44 N ATOM 831 CA ARG A 60 4.996 8.299 0.824 1.00 44.54 C ATOM 832 C ARG A 60 4.656 8.797 -0.578 1.00 53.33 C ATOM 833 O ARG A 60 4.739 9.991 -0.861 1.00 15.45 O ATOM 834 CB ARG A 60 6.405 7.704 0.837 1.00 51.24 C ATOM 835 CG ARG A 60 7.482 8.698 1.240 1.00 61.22 C ATOM 836 CD ARG A 60 7.979 9.495 0.044 1.00 45.55 C ATOM 837 NE ARG A 60 7.386 10.828 -0.011 1.00 55.10 N ATOM 838 CZ ARG A 60 7.761 11.766 -0.873 1.00 20.34 C ATOM 839 NH1 ARG A 60 8.724 11.516 -1.751 1.00 55.20 N ATOM 840 NH2 ARG A 60 7.174 12.955 -0.860 1.00 50.13 N ATOM 0 H ARG A 60 4.425 6.406 1.520 1.00 31.44 H new ATOM 0 HA ARG A 60 4.960 9.144 1.511 1.00 44.54 H new ATOM 0 HB2 ARG A 60 6.427 6.859 1.525 1.00 51.24 H new ATOM 0 HB3 ARG A 60 6.635 7.314 -0.155 1.00 51.24 H new ATOM 0 HG2 ARG A 60 7.087 9.379 1.994 1.00 61.22 H new ATOM 0 HG3 ARG A 60 8.317 8.167 1.697 1.00 61.22 H new ATOM 0 HD2 ARG A 60 9.064 9.583 0.093 1.00 45.55 H new ATOM 0 HD3 ARG A 60 7.744 8.956 -0.874 1.00 45.55 H new ATOM 0 HE ARG A 60 6.642 11.051 0.650 1.00 55.10 H new ATOM 0 HH11 ARG A 60 9.177 10.602 -1.764 1.00 55.20 H new ATOM 0 HH12 ARG A 60 9.011 12.237 -2.412 1.00 55.20 H new ATOM 0 HH21 ARG A 60 6.433 13.151 -0.187 1.00 50.13 H new ATOM 0 HH22 ARG A 60 7.464 13.674 -1.523 1.00 50.13 H new ATOM 851 N ALA A 61 4.273 7.872 -1.453 1.00 31.13 N ATOM 852 CA ALA A 61 3.920 8.217 -2.824 1.00 62.22 C ATOM 853 C ALA A 61 2.618 9.010 -2.873 1.00 11.01 C ATOM 854 O ALA A 61 2.490 9.964 -3.639 1.00 0.11 O ATOM 855 CB ALA A 61 3.805 6.959 -3.672 1.00 2.11 C ATOM 0 H ALA A 61 4.200 6.878 -1.236 1.00 31.13 H new ATOM 0 HA ALA A 61 4.713 8.845 -3.230 1.00 62.22 H new ATOM 0 HB1 ALA A 61 3.541 7.232 -4.694 1.00 2.11 H new ATOM 0 HB2 ALA A 61 4.759 6.432 -3.672 1.00 2.11 H new ATOM 0 HB3 ALA A 61 3.033 6.311 -3.258 1.00 2.11 H new ATOM 861 N MET A 62 1.655 8.609 -2.049 1.00 45.34 N ATOM 862 CA MET A 62 0.363 9.283 -1.999 1.00 13.34 C ATOM 863 C MET A 62 0.491 10.654 -1.342 1.00 1.12 C ATOM 864 O MET A 62 -0.432 11.466 -1.393 1.00 41.23 O ATOM 865 CB MET A 62 -0.652 8.431 -1.234 1.00 14.44 C ATOM 866 CG MET A 62 -0.861 7.050 -1.834 1.00 35.34 C ATOM 867 SD MET A 62 -1.287 7.110 -3.584 1.00 42.25 S ATOM 868 CE MET A 62 -2.696 8.217 -3.551 1.00 71.22 C ATOM 0 H MET A 62 1.745 7.821 -1.407 1.00 45.34 H new ATOM 0 HA MET A 62 0.013 9.420 -3.022 1.00 13.34 H new ATOM 0 HB2 MET A 62 -0.319 8.323 -0.202 1.00 14.44 H new ATOM 0 HB3 MET A 62 -1.607 8.955 -1.207 1.00 14.44 H new ATOM 0 HG2 MET A 62 0.047 6.461 -1.705 1.00 35.34 H new ATOM 0 HG3 MET A 62 -1.653 6.537 -1.289 1.00 35.34 H new ATOM 0 HE1 MET A 62 -3.150 8.257 -4.541 1.00 71.22 H new ATOM 0 HE2 MET A 62 -3.428 7.853 -2.830 1.00 71.22 H new ATOM 0 HE3 MET A 62 -2.368 9.215 -3.261 1.00 71.22 H new ATOM 876 N GLY A 63 1.642 10.906 -0.726 1.00 64.34 N ATOM 877 CA GLY A 63 1.869 12.180 -0.069 1.00 71.31 C ATOM 878 C GLY A 63 1.365 12.192 1.361 1.00 23.52 C ATOM 879 O GLY A 63 0.804 13.187 1.822 1.00 42.33 O ATOM 0 H GLY A 63 2.421 10.250 -0.670 1.00 64.34 H new ATOM 0 HA2 GLY A 63 2.936 12.405 -0.077 1.00 71.31 H new ATOM 0 HA3 GLY A 63 1.373 12.970 -0.633 1.00 71.31 H new ATOM 883 N LEU A 64 1.563 11.083 2.065 1.00 32.44 N ATOM 884 CA LEU A 64 1.123 10.968 3.452 1.00 4.34 C ATOM 885 C LEU A 64 2.302 11.107 4.411 1.00 3.35 C ATOM 886 O LEU A 64 3.392 11.522 4.015 1.00 51.34 O ATOM 887 CB LEU A 64 0.423 9.627 3.677 1.00 3.34 C ATOM 888 CG LEU A 64 -0.686 9.274 2.686 1.00 4.14 C ATOM 889 CD1 LEU A 64 -1.575 8.175 3.248 1.00 12.31 C ATOM 890 CD2 LEU A 64 -1.510 10.508 2.346 1.00 74.44 C ATOM 0 H LEU A 64 2.025 10.251 1.699 1.00 32.44 H new ATOM 0 HA LEU A 64 0.419 11.776 3.652 1.00 4.34 H new ATOM 0 HB2 LEU A 64 1.175 8.838 3.647 1.00 3.34 H new ATOM 0 HB3 LEU A 64 -0.001 9.625 4.681 1.00 3.34 H new ATOM 0 HG LEU A 64 -0.224 8.906 1.770 1.00 4.14 H new ATOM 0 HD11 LEU A 64 -2.359 7.937 2.529 1.00 12.31 H new ATOM 0 HD12 LEU A 64 -0.976 7.285 3.440 1.00 12.31 H new ATOM 0 HD13 LEU A 64 -2.028 8.514 4.179 1.00 12.31 H new ATOM 0 HD21 LEU A 64 -2.295 10.238 1.639 1.00 74.44 H new ATOM 0 HD22 LEU A 64 -1.961 10.906 3.255 1.00 74.44 H new ATOM 0 HD23 LEU A 64 -0.865 11.265 1.900 1.00 74.44 H new ATOM 901 N SER A 65 2.077 10.756 5.672 1.00 75.32 N ATOM 902 CA SER A 65 3.119 10.842 6.688 1.00 11.03 C ATOM 903 C SER A 65 2.766 9.991 7.904 1.00 61.25 C ATOM 904 O SER A 65 3.308 8.903 8.092 1.00 33.30 O ATOM 905 CB SER A 65 3.327 12.297 7.112 1.00 13.11 C ATOM 906 OG SER A 65 4.131 12.378 8.277 1.00 51.01 O ATOM 0 H SER A 65 1.181 10.409 6.015 1.00 75.32 H new ATOM 0 HA SER A 65 4.044 10.460 6.257 1.00 11.03 H new ATOM 0 HB2 SER A 65 3.799 12.852 6.301 1.00 13.11 H new ATOM 0 HB3 SER A 65 2.361 12.766 7.299 1.00 13.11 H new ATOM 0 HG SER A 65 4.251 13.318 8.527 1.00 51.01 H new ATOM 911 N ALA A 66 1.851 10.496 8.725 1.00 13.15 N ATOM 912 CA ALA A 66 1.423 9.783 9.922 1.00 21.11 C ATOM 913 C ALA A 66 0.420 8.687 9.578 1.00 54.31 C ATOM 914 O ALA A 66 0.115 7.828 10.406 1.00 30.33 O ATOM 915 CB ALA A 66 0.823 10.754 10.929 1.00 73.34 C ATOM 0 H ALA A 66 1.392 11.396 8.583 1.00 13.15 H new ATOM 0 HA ALA A 66 2.299 9.311 10.367 1.00 21.11 H new ATOM 0 HB1 ALA A 66 0.508 10.208 11.818 1.00 73.34 H new ATOM 0 HB2 ALA A 66 1.570 11.498 11.206 1.00 73.34 H new ATOM 0 HB3 ALA A 66 -0.039 11.252 10.485 1.00 73.34 H new ATOM 921 N VAL A 67 -0.093 8.723 8.352 1.00 14.45 N ATOM 922 CA VAL A 67 -1.062 7.733 7.899 1.00 12.24 C ATOM 923 C VAL A 67 -0.452 6.336 7.880 1.00 71.11 C ATOM 924 O VAL A 67 -1.165 5.337 7.784 1.00 4.50 O ATOM 925 CB VAL A 67 -1.592 8.070 6.492 1.00 34.51 C ATOM 926 CG1 VAL A 67 -2.582 7.013 6.028 1.00 31.51 C ATOM 927 CG2 VAL A 67 -2.229 9.451 6.480 1.00 1.01 C ATOM 0 H VAL A 67 0.147 9.428 7.655 1.00 14.45 H new ATOM 0 HA VAL A 67 -1.891 7.754 8.606 1.00 12.24 H new ATOM 0 HB VAL A 67 -0.752 8.077 5.797 1.00 34.51 H new ATOM 0 HG11 VAL A 67 -2.946 7.267 5.033 1.00 31.51 H new ATOM 0 HG12 VAL A 67 -2.089 6.041 5.997 1.00 31.51 H new ATOM 0 HG13 VAL A 67 -3.422 6.972 6.722 1.00 31.51 H new ATOM 0 HG21 VAL A 67 -2.598 9.673 5.479 1.00 1.01 H new ATOM 0 HG22 VAL A 67 -3.059 9.475 7.186 1.00 1.01 H new ATOM 0 HG23 VAL A 67 -1.487 10.196 6.767 1.00 1.01 H new ATOM 937 N ALA A 68 0.872 6.273 7.973 1.00 23.35 N ATOM 938 CA ALA A 68 1.579 4.998 7.969 1.00 11.44 C ATOM 939 C ALA A 68 0.807 3.941 8.750 1.00 32.41 C ATOM 940 O ALA A 68 0.707 4.009 9.975 1.00 21.01 O ATOM 941 CB ALA A 68 2.976 5.168 8.546 1.00 23.05 C ATOM 0 H ALA A 68 1.477 7.090 8.052 1.00 23.35 H new ATOM 0 HA ALA A 68 1.663 4.660 6.936 1.00 11.44 H new ATOM 0 HB1 ALA A 68 3.493 4.208 8.537 1.00 23.05 H new ATOM 0 HB2 ALA A 68 3.533 5.886 7.944 1.00 23.05 H new ATOM 0 HB3 ALA A 68 2.905 5.532 9.571 1.00 23.05 H new ATOM 947 N MET A 69 0.262 2.963 8.034 1.00 21.51 N ATOM 948 CA MET A 69 -0.501 1.890 8.661 1.00 73.02 C ATOM 949 C MET A 69 -1.788 2.428 9.279 1.00 64.12 C ATOM 950 O MET A 69 -1.875 2.665 10.483 1.00 41.15 O ATOM 951 CB MET A 69 0.341 1.196 9.733 1.00 55.05 C ATOM 952 CG MET A 69 1.810 1.069 9.364 1.00 51.23 C ATOM 953 SD MET A 69 2.514 -0.518 9.853 1.00 0.43 S ATOM 954 CE MET A 69 1.414 -1.651 9.009 1.00 21.13 C ATOM 0 H MET A 69 0.335 2.891 7.019 1.00 21.51 H new ATOM 0 HA MET A 69 -0.764 1.166 7.890 1.00 73.02 H new ATOM 0 HB2 MET A 69 0.256 1.752 10.667 1.00 55.05 H new ATOM 0 HB3 MET A 69 -0.066 0.202 9.916 1.00 55.05 H new ATOM 0 HG2 MET A 69 1.922 1.196 8.287 1.00 51.23 H new ATOM 0 HG3 MET A 69 2.371 1.873 9.840 1.00 51.23 H new ATOM 0 HE1 MET A 69 1.898 -2.622 8.910 1.00 21.13 H new ATOM 0 HE2 MET A 69 0.494 -1.761 9.584 1.00 21.13 H new ATOM 0 HE3 MET A 69 1.179 -1.260 8.019 1.00 21.13 H new ATOM 962 N PRO A 70 -2.813 2.625 8.435 1.00 4.23 N ATOM 963 CA PRO A 70 -4.113 3.136 8.876 1.00 54.45 C ATOM 964 C PRO A 70 -4.878 2.124 9.722 1.00 71.23 C ATOM 965 O PRO A 70 -5.785 2.485 10.472 1.00 52.21 O ATOM 966 CB PRO A 70 -4.854 3.403 7.562 1.00 30.40 C ATOM 967 CG PRO A 70 -4.222 2.480 6.578 1.00 42.42 C ATOM 968 CD PRO A 70 -2.780 2.364 6.986 1.00 32.41 C ATOM 0 HA PRO A 70 -4.010 4.016 9.510 1.00 54.45 H new ATOM 0 HB2 PRO A 70 -5.921 3.205 7.662 1.00 30.40 H new ATOM 0 HB3 PRO A 70 -4.750 4.443 7.253 1.00 30.40 H new ATOM 0 HG2 PRO A 70 -4.710 1.505 6.588 1.00 42.42 H new ATOM 0 HG3 PRO A 70 -4.310 2.870 5.564 1.00 42.42 H new ATOM 0 HD2 PRO A 70 -2.378 1.375 6.765 1.00 32.41 H new ATOM 0 HD3 PRO A 70 -2.155 3.087 6.462 1.00 32.41 H new ATOM 973 N THR A 71 -4.506 0.854 9.598 1.00 3.44 N ATOM 974 CA THR A 71 -5.156 -0.211 10.350 1.00 53.13 C ATOM 975 C THR A 71 -4.513 -1.562 10.060 1.00 33.12 C ATOM 976 O THR A 71 -3.732 -1.699 9.119 1.00 53.41 O ATOM 977 CB THR A 71 -6.660 -0.291 10.025 1.00 20.32 C ATOM 978 OG1 THR A 71 -7.265 -1.355 10.767 1.00 74.22 O ATOM 979 CG2 THR A 71 -6.880 -0.515 8.536 1.00 34.43 C ATOM 0 H THR A 71 -3.756 0.538 8.983 1.00 3.44 H new ATOM 0 HA THR A 71 -5.032 0.028 11.406 1.00 53.13 H new ATOM 0 HB THR A 71 -7.121 0.656 10.306 1.00 20.32 H new ATOM 0 HG1 THR A 71 -8.221 -1.398 10.556 1.00 74.22 H new ATOM 0 HG21 THR A 71 -7.949 -0.568 8.330 1.00 34.43 H new ATOM 0 HG22 THR A 71 -6.443 0.311 7.975 1.00 34.43 H new ATOM 0 HG23 THR A 71 -6.406 -1.449 8.235 1.00 34.43 H new ATOM 987 N ASN A 72 -4.845 -2.558 10.876 1.00 41.45 N ATOM 988 CA ASN A 72 -4.298 -3.899 10.706 1.00 74.25 C ATOM 989 C ASN A 72 -4.414 -4.354 9.254 1.00 33.02 C ATOM 990 O ASN A 72 -5.394 -4.051 8.573 1.00 32.33 O ATOM 991 CB ASN A 72 -5.024 -4.888 11.621 1.00 43.34 C ATOM 992 CG ASN A 72 -4.228 -6.158 11.848 1.00 11.32 C ATOM 993 OD1 ASN A 72 -2.998 -6.149 11.795 1.00 50.05 O ATOM 994 ND2 ASN A 72 -4.928 -7.257 12.102 1.00 2.15 N ATOM 0 H ASN A 72 -5.490 -2.461 11.661 1.00 41.45 H new ATOM 0 HA ASN A 72 -3.242 -3.871 10.976 1.00 74.25 H new ATOM 0 HB2 ASN A 72 -5.224 -4.411 12.581 1.00 43.34 H new ATOM 0 HB3 ASN A 72 -5.990 -5.141 11.184 1.00 43.34 H new ATOM 0 HD21 ASN A 72 -4.447 -8.142 12.263 1.00 2.15 H new ATOM 0 HD22 ASN A 72 -5.947 -7.216 12.136 1.00 2.15 H new ATOM 1000 N PHE A 73 -3.406 -5.083 8.787 1.00 4.02 N ATOM 1001 CA PHE A 73 -3.393 -5.579 7.416 1.00 63.24 C ATOM 1002 C PHE A 73 -3.248 -7.098 7.388 1.00 74.30 C ATOM 1003 O PHE A 73 -3.370 -7.726 6.337 1.00 50.44 O ATOM 1004 CB PHE A 73 -2.253 -4.933 6.627 1.00 4.35 C ATOM 1005 CG PHE A 73 -2.522 -3.505 6.246 1.00 3.30 C ATOM 1006 CD1 PHE A 73 -3.507 -3.194 5.321 1.00 23.35 C ATOM 1007 CD2 PHE A 73 -1.791 -2.472 6.812 1.00 71.52 C ATOM 1008 CE1 PHE A 73 -3.756 -1.882 4.968 1.00 4.14 C ATOM 1009 CE2 PHE A 73 -2.037 -1.158 6.463 1.00 11.45 C ATOM 1010 CZ PHE A 73 -3.020 -0.862 5.541 1.00 42.12 C ATOM 0 H PHE A 73 -2.588 -5.343 9.338 1.00 4.02 H new ATOM 0 HA PHE A 73 -4.343 -5.313 6.952 1.00 63.24 H new ATOM 0 HB2 PHE A 73 -1.340 -4.976 7.221 1.00 4.35 H new ATOM 0 HB3 PHE A 73 -2.073 -5.514 5.723 1.00 4.35 H new ATOM 0 HD1 PHE A 73 -4.086 -3.987 4.871 1.00 23.35 H new ATOM 0 HD2 PHE A 73 -1.020 -2.697 7.534 1.00 71.52 H new ATOM 0 HE1 PHE A 73 -4.525 -1.653 4.245 1.00 4.14 H new ATOM 0 HE2 PHE A 73 -1.460 -0.363 6.912 1.00 11.45 H new ATOM 0 HZ PHE A 73 -3.214 0.165 5.268 1.00 42.12 H new ATOM 1019 N ALA A 74 -2.985 -7.682 8.553 1.00 64.42 N ATOM 1020 CA ALA A 74 -2.824 -9.127 8.663 1.00 35.14 C ATOM 1021 C ALA A 74 -4.127 -9.850 8.342 1.00 33.33 C ATOM 1022 O ALA A 74 -4.159 -11.077 8.236 1.00 74.20 O ATOM 1023 CB ALA A 74 -2.341 -9.498 10.057 1.00 34.32 C ATOM 0 H ALA A 74 -2.879 -7.177 9.433 1.00 64.42 H new ATOM 0 HA ALA A 74 -2.076 -9.442 7.935 1.00 35.14 H new ATOM 0 HB1 ALA A 74 -2.225 -10.580 10.126 1.00 34.32 H new ATOM 0 HB2 ALA A 74 -1.382 -9.017 10.250 1.00 34.32 H new ATOM 0 HB3 ALA A 74 -3.070 -9.164 10.796 1.00 34.32 H new ATOM 1029 N THR A 75 -5.202 -9.083 8.190 1.00 64.33 N ATOM 1030 CA THR A 75 -6.509 -9.652 7.883 1.00 1.53 C ATOM 1031 C THR A 75 -7.226 -8.836 6.814 1.00 60.12 C ATOM 1032 O THR A 75 -8.409 -9.047 6.549 1.00 44.33 O ATOM 1033 CB THR A 75 -7.398 -9.727 9.139 1.00 44.31 C ATOM 1034 OG1 THR A 75 -8.672 -10.289 8.804 1.00 12.14 O ATOM 1035 CG2 THR A 75 -7.592 -8.345 9.747 1.00 21.41 C ATOM 0 H THR A 75 -5.194 -8.067 8.274 1.00 64.33 H new ATOM 0 HA THR A 75 -6.335 -10.661 7.510 1.00 1.53 H new ATOM 0 HB THR A 75 -6.902 -10.363 9.872 1.00 44.31 H new ATOM 0 HG1 THR A 75 -8.809 -10.234 7.835 1.00 12.14 H new ATOM 0 HG21 THR A 75 -8.223 -8.422 10.633 1.00 21.41 H new ATOM 0 HG22 THR A 75 -6.623 -7.931 10.027 1.00 21.41 H new ATOM 0 HG23 THR A 75 -8.069 -7.690 9.018 1.00 21.41 H new ATOM 1043 N ALA A 76 -6.503 -7.904 6.203 1.00 12.32 N ATOM 1044 CA ALA A 76 -7.069 -7.057 5.161 1.00 44.13 C ATOM 1045 C ALA A 76 -6.632 -7.524 3.776 1.00 70.22 C ATOM 1046 O ALA A 76 -5.904 -8.508 3.642 1.00 61.30 O ATOM 1047 CB ALA A 76 -6.669 -5.607 5.382 1.00 3.11 C ATOM 0 H ALA A 76 -5.522 -7.716 6.412 1.00 12.32 H new ATOM 0 HA ALA A 76 -8.155 -7.134 5.216 1.00 44.13 H new ATOM 0 HB1 ALA A 76 -7.099 -4.987 4.596 1.00 3.11 H new ATOM 0 HB2 ALA A 76 -7.038 -5.272 6.351 1.00 3.11 H new ATOM 0 HB3 ALA A 76 -5.583 -5.521 5.358 1.00 3.11 H new ATOM 1053 N THR A 77 -7.080 -6.812 2.747 1.00 12.31 N ATOM 1054 CA THR A 77 -6.737 -7.154 1.373 1.00 12.03 C ATOM 1055 C THR A 77 -6.176 -5.947 0.630 1.00 45.24 C ATOM 1056 O THR A 77 -6.241 -4.819 1.119 1.00 42.34 O ATOM 1057 CB THR A 77 -7.959 -7.693 0.605 1.00 12.12 C ATOM 1058 OG1 THR A 77 -9.153 -7.061 1.079 1.00 35.44 O ATOM 1059 CG2 THR A 77 -8.077 -9.201 0.769 1.00 63.12 C ATOM 0 H THR A 77 -7.682 -5.994 2.840 1.00 12.31 H new ATOM 0 HA THR A 77 -5.976 -7.933 1.422 1.00 12.03 H new ATOM 0 HB THR A 77 -7.825 -7.467 -0.453 1.00 12.12 H new ATOM 0 HG1 THR A 77 -9.925 -7.408 0.585 1.00 35.44 H new ATOM 0 HG21 THR A 77 -8.947 -9.560 0.218 1.00 63.12 H new ATOM 0 HG22 THR A 77 -7.178 -9.681 0.381 1.00 63.12 H new ATOM 0 HG23 THR A 77 -8.191 -9.444 1.825 1.00 63.12 H new ATOM 1067 N VAL A 78 -5.626 -6.190 -0.556 1.00 30.00 N ATOM 1068 CA VAL A 78 -5.056 -5.122 -1.369 1.00 51.14 C ATOM 1069 C VAL A 78 -6.057 -3.989 -1.567 1.00 4.32 C ATOM 1070 O VAL A 78 -5.686 -2.815 -1.576 1.00 54.23 O ATOM 1071 CB VAL A 78 -4.607 -5.644 -2.747 1.00 54.45 C ATOM 1072 CG1 VAL A 78 -3.604 -6.776 -2.589 1.00 33.34 C ATOM 1073 CG2 VAL A 78 -5.810 -6.096 -3.562 1.00 10.24 C ATOM 0 H VAL A 78 -5.563 -7.118 -0.975 1.00 30.00 H new ATOM 0 HA VAL A 78 -4.186 -4.744 -0.832 1.00 51.14 H new ATOM 0 HB VAL A 78 -4.118 -4.831 -3.283 1.00 54.45 H new ATOM 0 HG11 VAL A 78 -3.299 -7.132 -3.573 1.00 33.34 H new ATOM 0 HG12 VAL A 78 -2.730 -6.415 -2.046 1.00 33.34 H new ATOM 0 HG13 VAL A 78 -4.063 -7.594 -2.034 1.00 33.34 H new ATOM 0 HG21 VAL A 78 -5.475 -6.462 -4.533 1.00 10.24 H new ATOM 0 HG22 VAL A 78 -6.329 -6.895 -3.032 1.00 10.24 H new ATOM 0 HG23 VAL A 78 -6.489 -5.255 -3.706 1.00 10.24 H new ATOM 1083 N ARG A 79 -7.325 -4.349 -1.727 1.00 60.24 N ATOM 1084 CA ARG A 79 -8.380 -3.362 -1.927 1.00 71.05 C ATOM 1085 C ARG A 79 -8.567 -2.506 -0.678 1.00 11.44 C ATOM 1086 O ARG A 79 -8.819 -1.305 -0.769 1.00 44.51 O ATOM 1087 CB ARG A 79 -9.696 -4.056 -2.283 1.00 74.15 C ATOM 1088 CG ARG A 79 -10.665 -3.169 -3.047 1.00 41.24 C ATOM 1089 CD ARG A 79 -10.288 -3.068 -4.517 1.00 65.31 C ATOM 1090 NE ARG A 79 -11.136 -3.908 -5.359 1.00 74.53 N ATOM 1091 CZ ARG A 79 -11.210 -3.788 -6.680 1.00 74.01 C ATOM 1092 NH1 ARG A 79 -10.490 -2.868 -7.307 1.00 34.13 N ATOM 1093 NH2 ARG A 79 -12.005 -4.590 -7.376 1.00 3.21 N ATOM 0 H ARG A 79 -7.648 -5.317 -1.722 1.00 60.24 H new ATOM 0 HA ARG A 79 -8.084 -2.713 -2.751 1.00 71.05 H new ATOM 0 HB2 ARG A 79 -9.480 -4.942 -2.880 1.00 74.15 H new ATOM 0 HB3 ARG A 79 -10.176 -4.399 -1.366 1.00 74.15 H new ATOM 0 HG2 ARG A 79 -11.675 -3.569 -2.956 1.00 41.24 H new ATOM 0 HG3 ARG A 79 -10.675 -2.173 -2.604 1.00 41.24 H new ATOM 0 HD2 ARG A 79 -10.369 -2.031 -4.841 1.00 65.31 H new ATOM 0 HD3 ARG A 79 -9.246 -3.361 -4.645 1.00 65.31 H new ATOM 0 HE ARG A 79 -11.703 -4.626 -4.908 1.00 74.53 H new ATOM 0 HH11 ARG A 79 -9.877 -2.250 -6.775 1.00 34.13 H new ATOM 0 HH12 ARG A 79 -10.549 -2.778 -8.321 1.00 34.13 H new ATOM 0 HH21 ARG A 79 -12.560 -5.299 -6.897 1.00 3.21 H new ATOM 0 HH22 ARG A 79 -12.061 -4.497 -8.390 1.00 3.21 H new ATOM 1104 N GLU A 80 -8.441 -3.133 0.488 1.00 55.43 N ATOM 1105 CA GLU A 80 -8.598 -2.427 1.754 1.00 14.25 C ATOM 1106 C GLU A 80 -7.488 -1.395 1.943 1.00 74.54 C ATOM 1107 O GLU A 80 -7.751 -0.242 2.280 1.00 5.23 O ATOM 1108 CB GLU A 80 -8.591 -3.418 2.921 1.00 5.01 C ATOM 1109 CG GLU A 80 -9.867 -4.237 3.031 1.00 1.54 C ATOM 1110 CD GLU A 80 -9.863 -5.164 4.230 1.00 32.33 C ATOM 1111 OE1 GLU A 80 -9.664 -4.672 5.361 1.00 43.34 O ATOM 1112 OE2 GLU A 80 -10.059 -6.382 4.037 1.00 12.34 O ATOM 0 H GLU A 80 -8.231 -4.127 0.582 1.00 55.43 H new ATOM 0 HA GLU A 80 -9.556 -1.907 1.734 1.00 14.25 H new ATOM 0 HB2 GLU A 80 -7.744 -4.094 2.808 1.00 5.01 H new ATOM 0 HB3 GLU A 80 -8.439 -2.870 3.851 1.00 5.01 H new ATOM 0 HG2 GLU A 80 -10.722 -3.564 3.100 1.00 1.54 H new ATOM 0 HG3 GLU A 80 -9.996 -4.825 2.122 1.00 1.54 H new ATOM 1117 N MET A 81 -6.248 -1.822 1.725 1.00 64.35 N ATOM 1118 CA MET A 81 -5.099 -0.936 1.870 1.00 63.11 C ATOM 1119 C MET A 81 -5.128 0.169 0.819 1.00 65.41 C ATOM 1120 O MET A 81 -4.868 1.333 1.121 1.00 62.21 O ATOM 1121 CB MET A 81 -3.797 -1.731 1.755 1.00 74.22 C ATOM 1122 CG MET A 81 -2.549 -0.879 1.914 1.00 3.01 C ATOM 1123 SD MET A 81 -1.108 -1.602 1.107 1.00 22.22 S ATOM 1124 CE MET A 81 -0.575 -2.775 2.352 1.00 43.02 C ATOM 0 H MET A 81 -6.014 -2.775 1.448 1.00 64.35 H new ATOM 0 HA MET A 81 -5.149 -0.476 2.857 1.00 63.11 H new ATOM 0 HB2 MET A 81 -3.791 -2.514 2.513 1.00 74.22 H new ATOM 0 HB3 MET A 81 -3.768 -2.226 0.784 1.00 74.22 H new ATOM 0 HG2 MET A 81 -2.735 0.112 1.499 1.00 3.01 H new ATOM 0 HG3 MET A 81 -2.338 -0.745 2.975 1.00 3.01 H new ATOM 0 HE1 MET A 81 0.388 -2.463 2.757 1.00 43.02 H new ATOM 0 HE2 MET A 81 -1.311 -2.813 3.155 1.00 43.02 H new ATOM 0 HE3 MET A 81 -0.477 -3.763 1.902 1.00 43.02 H new ATOM 1132 N ALA A 82 -5.446 -0.204 -0.416 1.00 65.04 N ATOM 1133 CA ALA A 82 -5.510 0.755 -1.512 1.00 53.24 C ATOM 1134 C ALA A 82 -6.660 1.738 -1.314 1.00 15.10 C ATOM 1135 O ALA A 82 -6.505 2.939 -1.529 1.00 44.42 O ATOM 1136 CB ALA A 82 -5.657 0.030 -2.841 1.00 1.24 C ATOM 0 H ALA A 82 -5.663 -1.164 -0.683 1.00 65.04 H new ATOM 0 HA ALA A 82 -4.579 1.321 -1.521 1.00 53.24 H new ATOM 0 HB1 ALA A 82 -5.703 0.759 -3.650 1.00 1.24 H new ATOM 0 HB2 ALA A 82 -4.801 -0.627 -2.994 1.00 1.24 H new ATOM 0 HB3 ALA A 82 -6.572 -0.562 -2.833 1.00 1.24 H new ATOM 1142 N GLU A 83 -7.813 1.218 -0.904 1.00 64.31 N ATOM 1143 CA GLU A 83 -8.989 2.051 -0.680 1.00 34.55 C ATOM 1144 C GLU A 83 -8.703 3.123 0.367 1.00 15.51 C ATOM 1145 O GLU A 83 -9.121 4.273 0.224 1.00 24.44 O ATOM 1146 CB GLU A 83 -10.173 1.190 -0.233 1.00 11.30 C ATOM 1147 CG GLU A 83 -10.939 0.566 -1.387 1.00 54.13 C ATOM 1148 CD GLU A 83 -11.955 1.515 -1.994 1.00 70.43 C ATOM 1149 OE1 GLU A 83 -11.650 2.721 -2.098 1.00 11.22 O ATOM 1150 OE2 GLU A 83 -13.054 1.052 -2.364 1.00 73.51 O ATOM 0 H GLU A 83 -7.958 0.225 -0.720 1.00 64.31 H new ATOM 0 HA GLU A 83 -9.240 2.542 -1.620 1.00 34.55 H new ATOM 0 HB2 GLU A 83 -9.809 0.398 0.422 1.00 11.30 H new ATOM 0 HB3 GLU A 83 -10.855 1.803 0.356 1.00 11.30 H new ATOM 0 HG2 GLU A 83 -10.235 0.252 -2.158 1.00 54.13 H new ATOM 0 HG3 GLU A 83 -11.449 -0.331 -1.037 1.00 54.13 H new ATOM 1155 N ALA A 84 -7.989 2.739 1.421 1.00 42.43 N ATOM 1156 CA ALA A 84 -7.647 3.668 2.491 1.00 21.14 C ATOM 1157 C ALA A 84 -6.805 4.825 1.965 1.00 40.42 C ATOM 1158 O ALA A 84 -7.075 5.990 2.265 1.00 72.44 O ATOM 1159 CB ALA A 84 -6.909 2.940 3.605 1.00 4.31 C ATOM 0 H ALA A 84 -7.637 1.791 1.556 1.00 42.43 H new ATOM 0 HA ALA A 84 -8.573 4.080 2.891 1.00 21.14 H new ATOM 0 HB1 ALA A 84 -6.659 3.645 4.398 1.00 4.31 H new ATOM 0 HB2 ALA A 84 -7.545 2.151 4.008 1.00 4.31 H new ATOM 0 HB3 ALA A 84 -5.993 2.501 3.209 1.00 4.31 H new ATOM 1165 N LEU A 85 -5.784 4.500 1.180 1.00 63.23 N ATOM 1166 CA LEU A 85 -4.903 5.513 0.612 1.00 3.22 C ATOM 1167 C LEU A 85 -5.617 6.310 -0.476 1.00 22.41 C ATOM 1168 O LEU A 85 -5.406 7.514 -0.616 1.00 73.14 O ATOM 1169 CB LEU A 85 -3.644 4.859 0.038 1.00 13.41 C ATOM 1170 CG LEU A 85 -2.530 4.553 1.040 1.00 12.51 C ATOM 1171 CD1 LEU A 85 -1.802 3.276 0.654 1.00 33.31 C ATOM 1172 CD2 LEU A 85 -1.556 5.720 1.127 1.00 74.33 C ATOM 0 H LEU A 85 -5.546 3.542 0.922 1.00 63.23 H new ATOM 0 HA LEU A 85 -4.618 6.199 1.410 1.00 3.22 H new ATOM 0 HB2 LEU A 85 -3.933 3.928 -0.450 1.00 13.41 H new ATOM 0 HB3 LEU A 85 -3.240 5.512 -0.736 1.00 13.41 H new ATOM 0 HG LEU A 85 -2.980 4.407 2.022 1.00 12.51 H new ATOM 0 HD11 LEU A 85 -1.013 3.074 1.378 1.00 33.31 H new ATOM 0 HD12 LEU A 85 -2.507 2.444 0.644 1.00 33.31 H new ATOM 0 HD13 LEU A 85 -1.364 3.392 -0.337 1.00 33.31 H new ATOM 0 HD21 LEU A 85 -0.770 5.485 1.845 1.00 74.33 H new ATOM 0 HD22 LEU A 85 -1.112 5.897 0.147 1.00 74.33 H new ATOM 0 HD23 LEU A 85 -2.088 6.614 1.451 1.00 74.33 H new ATOM 1183 N GLU A 86 -6.463 5.627 -1.242 1.00 12.45 N ATOM 1184 CA GLU A 86 -7.209 6.273 -2.316 1.00 62.42 C ATOM 1185 C GLU A 86 -8.181 7.308 -1.758 1.00 40.14 C ATOM 1186 O GLU A 86 -8.375 8.372 -2.344 1.00 61.14 O ATOM 1187 CB GLU A 86 -7.972 5.229 -3.135 1.00 65.03 C ATOM 1188 CG GLU A 86 -8.121 5.596 -4.602 1.00 25.34 C ATOM 1189 CD GLU A 86 -8.151 7.095 -4.828 1.00 11.24 C ATOM 1190 OE1 GLU A 86 -7.066 7.695 -4.976 1.00 21.02 O ATOM 1191 OE2 GLU A 86 -9.260 7.667 -4.857 1.00 12.51 O ATOM 0 H GLU A 86 -6.648 4.629 -1.139 1.00 12.45 H new ATOM 0 HA GLU A 86 -6.496 6.783 -2.964 1.00 62.42 H new ATOM 0 HB2 GLU A 86 -7.456 4.272 -3.059 1.00 65.03 H new ATOM 0 HB3 GLU A 86 -8.962 5.092 -2.701 1.00 65.03 H new ATOM 0 HG2 GLU A 86 -7.295 5.164 -5.167 1.00 25.34 H new ATOM 0 HG3 GLU A 86 -9.039 5.155 -4.992 1.00 25.34 H new ATOM 1196 N ALA A 87 -8.790 6.986 -0.622 1.00 34.35 N ATOM 1197 CA ALA A 87 -9.741 7.888 0.017 1.00 60.32 C ATOM 1198 C ALA A 87 -9.053 9.162 0.497 1.00 24.12 C ATOM 1199 O ALA A 87 -9.603 10.256 0.382 1.00 43.20 O ATOM 1200 CB ALA A 87 -10.432 7.190 1.179 1.00 31.31 C ATOM 0 H ALA A 87 -8.642 6.108 -0.125 1.00 34.35 H new ATOM 0 HA ALA A 87 -10.491 8.168 -0.723 1.00 60.32 H new ATOM 0 HB1 ALA A 87 -11.139 7.875 1.647 1.00 31.31 H new ATOM 0 HB2 ALA A 87 -10.965 6.313 0.812 1.00 31.31 H new ATOM 0 HB3 ALA A 87 -9.687 6.881 1.912 1.00 31.31 H new