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= -2.1 X(o=-2.1,f=-1.7) USER MOD Single : A 38 SER OG : rot -95:sc= 0.639 USER MOD Single : A 45 HIS : no HD1:sc=-0.00854 X(o=-0.0085,f=0) USER MOD Single : A 46 MET CE :methyl -148:sc= -3.66! (180deg=-4.46!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0424 X(o=-0.042,f=-0.3) USER MOD Single : A 62 MET CE :methyl 162:sc= -0.9 (180deg=-2.14!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.392 USER MOD Single : A 69 MET CE :methyl 149:sc= -0.491 (180deg=-1.75!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 72 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.43) USER MOD Single : A 75 THR OG1 : rot -50:sc= 1.14 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -150:sc= -3.49! (180deg=-5.28!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.180 5.389 -7.403 1.00 2.32 N ATOM 174 CA ALA A 15 -4.204 4.980 -6.005 1.00 73.04 C ATOM 175 C ALA A 15 -4.172 3.460 -5.878 1.00 14.42 C ATOM 176 O ALA A 15 -3.354 2.907 -5.142 1.00 71.42 O ATOM 177 CB ALA A 15 -5.436 5.543 -5.311 1.00 52.45 C ATOM 0 HA ALA A 15 -3.313 5.379 -5.520 1.00 73.04 H new ATOM 0 HB1 ALA A 15 -5.441 5.229 -4.267 1.00 52.45 H new ATOM 0 HB2 ALA A 15 -5.417 6.632 -5.363 1.00 52.45 H new ATOM 0 HB3 ALA A 15 -6.334 5.172 -5.805 1.00 52.45 H new ATOM 183 N LEU A 16 -5.066 2.791 -6.598 1.00 52.21 N ATOM 184 CA LEU A 16 -5.140 1.335 -6.564 1.00 41.30 C ATOM 185 C LEU A 16 -3.917 0.713 -7.230 1.00 73.41 C ATOM 186 O LEU A 16 -3.440 -0.342 -6.811 1.00 52.45 O ATOM 187 CB LEU A 16 -6.414 0.853 -7.261 1.00 71.01 C ATOM 188 CG LEU A 16 -7.534 0.360 -6.344 1.00 5.54 C ATOM 189 CD1 LEU A 16 -7.184 -0.998 -5.757 1.00 63.31 C ATOM 190 CD2 LEU A 16 -7.801 1.369 -5.236 1.00 3.03 C ATOM 0 H LEU A 16 -5.749 3.234 -7.212 1.00 52.21 H new ATOM 0 HA LEU A 16 -5.163 1.021 -5.520 1.00 41.30 H new ATOM 0 HB2 LEU A 16 -6.803 1.670 -7.870 1.00 71.01 H new ATOM 0 HB3 LEU A 16 -6.148 0.046 -7.943 1.00 71.01 H new ATOM 0 HG LEU A 16 -8.442 0.254 -6.937 1.00 5.54 H new ATOM 0 HD11 LEU A 16 -7.993 -1.333 -5.107 1.00 63.31 H new ATOM 0 HD12 LEU A 16 -7.045 -1.718 -6.563 1.00 63.31 H new ATOM 0 HD13 LEU A 16 -6.263 -0.918 -5.179 1.00 63.31 H new ATOM 0 HD21 LEU A 16 -8.601 1.001 -4.594 1.00 3.03 H new ATOM 0 HD22 LEU A 16 -6.896 1.508 -4.645 1.00 3.03 H new ATOM 0 HD23 LEU A 16 -8.098 2.322 -5.675 1.00 3.03 H new ATOM 201 N GLU A 17 -3.412 1.374 -8.267 1.00 70.05 N ATOM 202 CA GLU A 17 -2.244 0.885 -8.989 1.00 21.33 C ATOM 203 C GLU A 17 -0.986 1.005 -8.132 1.00 44.22 C ATOM 204 O GLU A 17 -0.086 0.168 -8.210 1.00 64.05 O ATOM 205 CB GLU A 17 -2.061 1.663 -10.294 1.00 22.42 C ATOM 206 CG GLU A 17 -0.731 2.390 -10.387 1.00 5.34 C ATOM 207 CD GLU A 17 0.434 1.450 -10.628 1.00 61.33 C ATOM 208 OE1 GLU A 17 0.199 0.330 -11.130 1.00 74.31 O ATOM 209 OE2 GLU A 17 1.581 1.833 -10.316 1.00 13.40 O ATOM 0 H GLU A 17 -3.794 2.249 -8.626 1.00 70.05 H new ATOM 0 HA GLU A 17 -2.406 -0.167 -9.222 1.00 21.33 H new ATOM 0 HB2 GLU A 17 -2.148 0.973 -11.134 1.00 22.42 H new ATOM 0 HB3 GLU A 17 -2.869 2.388 -10.392 1.00 22.42 H new ATOM 0 HG2 GLU A 17 -0.776 3.120 -11.195 1.00 5.34 H new ATOM 0 HG3 GLU A 17 -0.560 2.945 -9.465 1.00 5.34 H new ATOM 214 N LEU A 18 -0.931 2.050 -7.316 1.00 13.55 N ATOM 215 CA LEU A 18 0.216 2.282 -6.444 1.00 41.02 C ATOM 216 C LEU A 18 0.307 1.205 -5.367 1.00 13.52 C ATOM 217 O LEU A 18 1.347 0.569 -5.196 1.00 12.41 O ATOM 218 CB LEU A 18 0.117 3.662 -5.794 1.00 13.32 C ATOM 219 CG LEU A 18 1.440 4.295 -5.358 1.00 73.34 C ATOM 220 CD1 LEU A 18 1.292 5.803 -5.224 1.00 44.13 C ATOM 221 CD2 LEU A 18 1.916 3.686 -4.047 1.00 44.31 C ATOM 0 H LEU A 18 -1.667 2.752 -7.239 1.00 13.55 H new ATOM 0 HA LEU A 18 1.119 2.239 -7.053 1.00 41.02 H new ATOM 0 HB2 LEU A 18 -0.372 4.338 -6.495 1.00 13.32 H new ATOM 0 HB3 LEU A 18 -0.531 3.585 -4.921 1.00 13.32 H new ATOM 0 HG LEU A 18 2.188 4.090 -6.124 1.00 73.34 H new ATOM 0 HD11 LEU A 18 2.243 6.236 -4.913 1.00 44.13 H new ATOM 0 HD12 LEU A 18 0.997 6.226 -6.184 1.00 44.13 H new ATOM 0 HD13 LEU A 18 0.530 6.029 -4.478 1.00 44.13 H new ATOM 0 HD21 LEU A 18 2.858 4.148 -3.752 1.00 44.31 H new ATOM 0 HD22 LEU A 18 1.169 3.860 -3.273 1.00 44.31 H new ATOM 0 HD23 LEU A 18 2.063 2.614 -4.176 1.00 44.31 H new ATOM 232 N VAL A 19 -0.791 1.004 -4.644 1.00 5.31 N ATOM 233 CA VAL A 19 -0.837 0.002 -3.587 1.00 15.12 C ATOM 234 C VAL A 19 -0.644 -1.402 -4.150 1.00 0.45 C ATOM 235 O VAL A 19 0.179 -2.173 -3.655 1.00 0.42 O ATOM 236 CB VAL A 19 -2.171 0.057 -2.819 1.00 64.50 C ATOM 237 CG1 VAL A 19 -2.454 -1.277 -2.143 1.00 64.12 C ATOM 238 CG2 VAL A 19 -2.153 1.186 -1.800 1.00 41.52 C ATOM 0 H VAL A 19 -1.660 1.522 -4.772 1.00 5.31 H new ATOM 0 HA VAL A 19 -0.021 0.229 -2.900 1.00 15.12 H new ATOM 0 HB VAL A 19 -2.972 0.254 -3.532 1.00 64.50 H new ATOM 0 HG11 VAL A 19 -3.400 -1.219 -1.605 1.00 64.12 H new ATOM 0 HG12 VAL A 19 -2.513 -2.062 -2.897 1.00 64.12 H new ATOM 0 HG13 VAL A 19 -1.652 -1.507 -1.442 1.00 64.12 H new ATOM 0 HG21 VAL A 19 -3.103 1.210 -1.267 1.00 41.52 H new ATOM 0 HG22 VAL A 19 -1.342 1.022 -1.090 1.00 41.52 H new ATOM 0 HG23 VAL A 19 -2.000 2.136 -2.312 1.00 41.52 H new ATOM 248 N ARG A 20 -1.408 -1.727 -5.187 1.00 4.31 N ATOM 249 CA ARG A 20 -1.321 -3.038 -5.819 1.00 35.31 C ATOM 250 C ARG A 20 0.089 -3.300 -6.338 1.00 32.12 C ATOM 251 O ARG A 20 0.606 -4.413 -6.227 1.00 13.02 O ATOM 252 CB ARG A 20 -2.326 -3.142 -6.968 1.00 1.31 C ATOM 253 CG ARG A 20 -3.750 -3.410 -6.509 1.00 2.53 C ATOM 254 CD ARG A 20 -4.765 -2.936 -7.538 1.00 14.14 C ATOM 255 NE ARG A 20 -5.027 -3.949 -8.556 1.00 72.11 N ATOM 256 CZ ARG A 20 -5.671 -3.702 -9.691 1.00 15.43 C ATOM 257 NH1 ARG A 20 -6.116 -2.480 -9.952 1.00 73.51 N ATOM 258 NH2 ARG A 20 -5.872 -4.677 -10.568 1.00 30.53 N ATOM 0 H ARG A 20 -2.094 -1.101 -5.608 1.00 4.31 H new ATOM 0 HA ARG A 20 -1.559 -3.791 -5.068 1.00 35.31 H new ATOM 0 HB2 ARG A 20 -2.306 -2.215 -7.542 1.00 1.31 H new ATOM 0 HB3 ARG A 20 -2.014 -3.940 -7.641 1.00 1.31 H new ATOM 0 HG2 ARG A 20 -3.881 -4.477 -6.331 1.00 2.53 H new ATOM 0 HG3 ARG A 20 -3.929 -2.904 -5.560 1.00 2.53 H new ATOM 0 HD2 ARG A 20 -5.697 -2.678 -7.035 1.00 14.14 H new ATOM 0 HD3 ARG A 20 -4.399 -2.028 -8.016 1.00 14.14 H new ATOM 0 HE ARG A 20 -4.697 -4.899 -8.386 1.00 72.11 H new ATOM 0 HH11 ARG A 20 -5.964 -1.728 -9.280 1.00 73.51 H new ATOM 0 HH12 ARG A 20 -6.610 -2.293 -10.824 1.00 73.51 H new ATOM 0 HH21 ARG A 20 -5.532 -5.618 -10.371 1.00 30.53 H new ATOM 0 HH22 ARG A 20 -6.367 -4.485 -11.439 1.00 30.53 H new ATOM 269 N HIS A 21 0.707 -2.269 -6.904 1.00 62.21 N ATOM 270 CA HIS A 21 2.059 -2.387 -7.441 1.00 34.43 C ATOM 271 C HIS A 21 3.059 -2.696 -6.329 1.00 60.34 C ATOM 272 O HIS A 21 3.840 -3.644 -6.428 1.00 44.43 O ATOM 273 CB HIS A 21 2.460 -1.100 -8.160 1.00 13.00 C ATOM 274 CG HIS A 21 3.812 -1.167 -8.801 1.00 61.54 C ATOM 275 ND1 HIS A 21 4.376 -2.346 -9.243 1.00 44.42 N ATOM 276 CD2 HIS A 21 4.712 -0.195 -9.077 1.00 74.04 C ATOM 277 CE1 HIS A 21 5.565 -2.094 -9.761 1.00 65.23 C ATOM 278 NE2 HIS A 21 5.792 -0.796 -9.673 1.00 73.32 N ATOM 0 H HIS A 21 0.294 -1.342 -7.003 1.00 62.21 H new ATOM 0 HA HIS A 21 2.069 -3.210 -8.155 1.00 34.43 H new ATOM 0 HB2 HIS A 21 1.716 -0.874 -8.924 1.00 13.00 H new ATOM 0 HB3 HIS A 21 2.446 -0.276 -7.447 1.00 13.00 H new ATOM 0 HD2 HIS A 21 4.601 0.859 -8.867 1.00 74.04 H new ATOM 0 HE1 HIS A 21 6.237 -2.825 -10.185 1.00 65.23 H new ATOM 0 HE2 HIS A 21 6.633 -0.318 -9.996 1.00 73.32 H new ATOM 285 N LEU A 22 3.029 -1.891 -5.273 1.00 22.45 N ATOM 286 CA LEU A 22 3.933 -2.078 -4.143 1.00 3.01 C ATOM 287 C LEU A 22 3.771 -3.471 -3.541 1.00 4.24 C ATOM 288 O LEU A 22 4.743 -4.085 -3.101 1.00 32.45 O ATOM 289 CB LEU A 22 3.674 -1.014 -3.075 1.00 62.34 C ATOM 290 CG LEU A 22 4.052 0.419 -3.450 1.00 45.04 C ATOM 291 CD1 LEU A 22 3.871 1.347 -2.259 1.00 60.12 C ATOM 292 CD2 LEU A 22 5.485 0.476 -3.960 1.00 22.32 C ATOM 0 H LEU A 22 2.389 -1.103 -5.175 1.00 22.45 H new ATOM 0 HA LEU A 22 4.956 -1.976 -4.507 1.00 3.01 H new ATOM 0 HB2 LEU A 22 2.614 -1.034 -2.820 1.00 62.34 H new ATOM 0 HB3 LEU A 22 4.224 -1.290 -2.175 1.00 62.34 H new ATOM 0 HG LEU A 22 3.390 0.753 -4.249 1.00 45.04 H new ATOM 0 HD11 LEU A 22 4.145 2.363 -2.544 1.00 60.12 H new ATOM 0 HD12 LEU A 22 2.829 1.328 -1.938 1.00 60.12 H new ATOM 0 HD13 LEU A 22 4.509 1.016 -1.440 1.00 60.12 H new ATOM 0 HD21 LEU A 22 5.737 1.503 -4.222 1.00 22.32 H new ATOM 0 HD22 LEU A 22 6.162 0.123 -3.182 1.00 22.32 H new ATOM 0 HD23 LEU A 22 5.583 -0.158 -4.841 1.00 22.32 H new ATOM 303 N VAL A 23 2.536 -3.963 -3.527 1.00 32.43 N ATOM 304 CA VAL A 23 2.248 -5.284 -2.980 1.00 43.31 C ATOM 305 C VAL A 23 2.763 -6.384 -3.902 1.00 52.21 C ATOM 306 O VAL A 23 3.376 -7.350 -3.450 1.00 71.25 O ATOM 307 CB VAL A 23 0.736 -5.481 -2.760 1.00 21.44 C ATOM 308 CG1 VAL A 23 0.299 -6.854 -3.247 1.00 23.11 C ATOM 309 CG2 VAL A 23 0.384 -5.290 -1.293 1.00 75.23 C ATOM 0 H VAL A 23 1.720 -3.468 -3.887 1.00 32.43 H new ATOM 0 HA VAL A 23 2.760 -5.349 -2.020 1.00 43.31 H new ATOM 0 HB VAL A 23 0.201 -4.730 -3.341 1.00 21.44 H new ATOM 0 HG11 VAL A 23 -0.772 -6.974 -3.083 1.00 23.11 H new ATOM 0 HG12 VAL A 23 0.516 -6.949 -4.311 1.00 23.11 H new ATOM 0 HG13 VAL A 23 0.839 -7.624 -2.696 1.00 23.11 H new ATOM 0 HG21 VAL A 23 -0.688 -5.433 -1.154 1.00 75.23 H new ATOM 0 HG22 VAL A 23 0.928 -6.018 -0.691 1.00 75.23 H new ATOM 0 HG23 VAL A 23 0.659 -4.283 -0.981 1.00 75.23 H new ATOM 319 N ALA A 24 2.511 -6.229 -5.198 1.00 51.00 N ATOM 320 CA ALA A 24 2.952 -7.208 -6.184 1.00 52.42 C ATOM 321 C ALA A 24 4.469 -7.359 -6.167 1.00 51.33 C ATOM 322 O ALA A 24 4.989 -8.474 -6.140 1.00 35.14 O ATOM 323 CB ALA A 24 2.474 -6.809 -7.573 1.00 74.45 C ATOM 0 H ALA A 24 2.004 -5.435 -5.589 1.00 51.00 H new ATOM 0 HA ALA A 24 2.515 -8.172 -5.924 1.00 52.42 H new ATOM 0 HB1 ALA A 24 2.810 -7.548 -8.300 1.00 74.45 H new ATOM 0 HB2 ALA A 24 1.385 -6.759 -7.583 1.00 74.45 H new ATOM 0 HB3 ALA A 24 2.884 -5.833 -7.832 1.00 74.45 H new ATOM 329 N GLU A 25 5.172 -6.231 -6.186 1.00 74.45 N ATOM 330 CA GLU A 25 6.630 -6.240 -6.174 1.00 63.01 C ATOM 331 C GLU A 25 7.160 -6.825 -4.869 1.00 14.00 C ATOM 332 O GLU A 25 8.250 -7.397 -4.829 1.00 41.34 O ATOM 333 CB GLU A 25 7.172 -4.823 -6.368 1.00 4.45 C ATOM 334 CG GLU A 25 6.775 -4.196 -7.695 1.00 33.11 C ATOM 335 CD GLU A 25 7.937 -3.509 -8.386 1.00 41.24 C ATOM 336 OE1 GLU A 25 8.448 -2.511 -7.835 1.00 32.24 O ATOM 337 OE2 GLU A 25 8.334 -3.967 -9.477 1.00 62.41 O ATOM 0 H GLU A 25 4.756 -5.300 -6.210 1.00 74.45 H new ATOM 0 HA GLU A 25 6.971 -6.868 -6.998 1.00 63.01 H new ATOM 0 HB2 GLU A 25 6.813 -4.191 -5.555 1.00 4.45 H new ATOM 0 HB3 GLU A 25 8.259 -4.846 -6.297 1.00 4.45 H new ATOM 0 HG2 GLU A 25 6.372 -4.967 -8.351 1.00 33.11 H new ATOM 0 HG3 GLU A 25 5.978 -3.472 -7.527 1.00 33.11 H new ATOM 342 N ARG A 26 6.381 -6.676 -3.801 1.00 31.12 N ATOM 343 CA ARG A 26 6.773 -7.187 -2.493 1.00 10.41 C ATOM 344 C ARG A 26 6.507 -8.686 -2.393 1.00 60.42 C ATOM 345 O ARG A 26 7.048 -9.366 -1.522 1.00 24.35 O ATOM 346 CB ARG A 26 6.016 -6.449 -1.387 1.00 51.20 C ATOM 347 CG ARG A 26 6.659 -5.132 -0.984 1.00 34.14 C ATOM 348 CD ARG A 26 7.419 -5.262 0.327 1.00 34.14 C ATOM 349 NE ARG A 26 8.828 -5.579 0.114 1.00 12.24 N ATOM 350 CZ ARG A 26 9.639 -6.008 1.074 1.00 73.45 C ATOM 351 NH1 ARG A 26 9.181 -6.172 2.308 1.00 12.43 N ATOM 352 NH2 ARG A 26 10.909 -6.276 0.803 1.00 24.21 N ATOM 0 H ARG A 26 5.476 -6.206 -3.817 1.00 31.12 H new ATOM 0 HA ARG A 26 7.842 -7.016 -2.369 1.00 10.41 H new ATOM 0 HB2 ARG A 26 4.996 -6.259 -1.721 1.00 51.20 H new ATOM 0 HB3 ARG A 26 5.949 -7.094 -0.511 1.00 51.20 H new ATOM 0 HG2 ARG A 26 7.339 -4.803 -1.769 1.00 34.14 H new ATOM 0 HG3 ARG A 26 5.890 -4.365 -0.886 1.00 34.14 H new ATOM 0 HD2 ARG A 26 7.338 -4.330 0.887 1.00 34.14 H new ATOM 0 HD3 ARG A 26 6.960 -6.041 0.936 1.00 34.14 H new ATOM 0 HE ARG A 26 9.211 -5.465 -0.824 1.00 12.24 H new ATOM 0 HH11 ARG A 26 8.204 -5.969 2.521 1.00 12.43 H new ATOM 0 HH12 ARG A 26 9.805 -6.502 3.044 1.00 12.43 H new ATOM 0 HH21 ARG A 26 11.265 -6.153 -0.145 1.00 24.21 H new ATOM 0 HH22 ARG A 26 11.530 -6.605 1.542 1.00 24.21 H new ATOM 363 N ALA A 27 5.669 -9.194 -3.291 1.00 62.53 N ATOM 364 CA ALA A 27 5.333 -10.613 -3.305 1.00 43.44 C ATOM 365 C ALA A 27 6.110 -11.351 -4.390 1.00 53.42 C ATOM 366 O ALA A 27 5.790 -12.490 -4.729 1.00 52.41 O ATOM 367 CB ALA A 27 3.836 -10.798 -3.507 1.00 11.21 C ATOM 0 H ALA A 27 5.211 -8.645 -4.018 1.00 62.53 H new ATOM 0 HA ALA A 27 5.614 -11.037 -2.341 1.00 43.44 H new ATOM 0 HB1 ALA A 27 3.599 -11.862 -3.516 1.00 11.21 H new ATOM 0 HB2 ALA A 27 3.296 -10.312 -2.694 1.00 11.21 H new ATOM 0 HB3 ALA A 27 3.539 -10.352 -4.456 1.00 11.21 H new ATOM 373 N GLU A 28 7.131 -10.693 -4.931 1.00 63.02 N ATOM 374 CA GLU A 28 7.953 -11.288 -5.979 1.00 50.35 C ATOM 375 C GLU A 28 7.091 -11.737 -7.156 1.00 64.35 C ATOM 376 O GLU A 28 7.248 -12.847 -7.667 1.00 13.04 O ATOM 377 CB GLU A 28 8.741 -12.477 -5.427 1.00 74.01 C ATOM 378 CG GLU A 28 10.135 -12.609 -6.016 1.00 60.30 C ATOM 379 CD GLU A 28 11.206 -12.020 -5.119 1.00 0.42 C ATOM 380 OE1 GLU A 28 11.341 -10.779 -5.090 1.00 61.33 O ATOM 381 OE2 GLU A 28 11.910 -12.802 -4.444 1.00 50.54 O ATOM 0 H GLU A 28 7.408 -9.749 -4.661 1.00 63.02 H new ATOM 0 HA GLU A 28 8.653 -10.530 -6.331 1.00 50.35 H new ATOM 0 HB2 GLU A 28 8.821 -12.378 -4.344 1.00 74.01 H new ATOM 0 HB3 GLU A 28 8.185 -13.394 -5.623 1.00 74.01 H new ATOM 0 HG2 GLU A 28 10.353 -13.662 -6.192 1.00 60.30 H new ATOM 0 HG3 GLU A 28 10.164 -12.111 -6.985 1.00 60.30 H new ATOM 386 N LEU A 29 6.180 -10.869 -7.580 1.00 2.23 N ATOM 387 CA LEU A 29 5.292 -11.175 -8.697 1.00 73.23 C ATOM 388 C LEU A 29 4.951 -9.913 -9.483 1.00 53.43 C ATOM 389 O LEU A 29 5.028 -8.795 -8.974 1.00 23.15 O ATOM 390 CB LEU A 29 4.010 -11.835 -8.188 1.00 13.40 C ATOM 391 CG LEU A 29 3.167 -11.005 -7.219 1.00 55.12 C ATOM 392 CD1 LEU A 29 2.123 -10.198 -7.975 1.00 23.14 C ATOM 393 CD2 LEU A 29 2.502 -11.904 -6.185 1.00 4.52 C ATOM 0 H LEU A 29 6.036 -9.947 -7.168 1.00 2.23 H new ATOM 0 HA LEU A 29 5.810 -11.866 -9.362 1.00 73.23 H new ATOM 0 HB2 LEU A 29 3.391 -12.092 -9.048 1.00 13.40 H new ATOM 0 HB3 LEU A 29 4.277 -12.770 -7.696 1.00 13.40 H new ATOM 0 HG LEU A 29 3.826 -10.311 -6.698 1.00 55.12 H new ATOM 0 HD11 LEU A 29 1.533 -9.614 -7.269 1.00 23.14 H new ATOM 0 HD12 LEU A 29 2.619 -9.527 -8.676 1.00 23.14 H new ATOM 0 HD13 LEU A 29 1.467 -10.874 -8.523 1.00 23.14 H new ATOM 0 HD21 LEU A 29 1.906 -11.296 -5.504 1.00 4.52 H new ATOM 0 HD22 LEU A 29 1.856 -12.623 -6.689 1.00 4.52 H new ATOM 0 HD23 LEU A 29 3.267 -12.437 -5.621 1.00 4.52 H new ATOM 404 N PRO A 30 4.562 -10.095 -10.754 1.00 43.31 N ATOM 405 CA PRO A 30 4.198 -8.982 -11.637 1.00 62.23 C ATOM 406 C PRO A 30 2.886 -8.321 -11.227 1.00 64.50 C ATOM 407 O PRO A 30 1.908 -9.002 -10.915 1.00 14.21 O ATOM 408 CB PRO A 30 4.054 -9.650 -13.007 1.00 22.24 C ATOM 409 CG PRO A 30 3.726 -11.070 -12.704 1.00 71.44 C ATOM 410 CD PRO A 30 4.447 -11.399 -11.427 1.00 74.33 C ATOM 0 HA PRO A 30 4.939 -8.183 -11.612 1.00 62.23 H new ATOM 0 HB2 PRO A 30 3.267 -9.179 -13.596 1.00 22.24 H new ATOM 0 HB3 PRO A 30 4.975 -9.571 -13.585 1.00 22.24 H new ATOM 0 HG2 PRO A 30 2.650 -11.206 -12.591 1.00 71.44 H new ATOM 0 HG3 PRO A 30 4.047 -11.726 -13.513 1.00 71.44 H new ATOM 0 HD2 PRO A 30 3.889 -12.115 -10.823 1.00 74.33 H new ATOM 0 HD3 PRO A 30 5.425 -11.839 -11.620 1.00 74.33 H new ATOM 415 N VAL A 31 2.872 -6.993 -11.229 1.00 2.12 N ATOM 416 CA VAL A 31 1.679 -6.240 -10.859 1.00 33.40 C ATOM 417 C VAL A 31 0.520 -6.552 -11.797 1.00 50.44 C ATOM 418 O VAL A 31 -0.636 -6.266 -11.487 1.00 70.14 O ATOM 419 CB VAL A 31 1.946 -4.723 -10.875 1.00 65.44 C ATOM 420 CG1 VAL A 31 2.420 -4.279 -12.250 1.00 25.14 C ATOM 421 CG2 VAL A 31 0.696 -3.959 -10.462 1.00 34.45 C ATOM 0 H VAL A 31 3.673 -6.415 -11.483 1.00 2.12 H new ATOM 0 HA VAL A 31 1.414 -6.544 -9.846 1.00 33.40 H new ATOM 0 HB VAL A 31 2.735 -4.502 -10.156 1.00 65.44 H new ATOM 0 HG11 VAL A 31 2.604 -3.205 -12.242 1.00 25.14 H new ATOM 0 HG12 VAL A 31 3.342 -4.803 -12.504 1.00 25.14 H new ATOM 0 HG13 VAL A 31 1.655 -4.511 -12.991 1.00 25.14 H new ATOM 0 HG21 VAL A 31 0.902 -2.889 -10.479 1.00 34.45 H new ATOM 0 HG22 VAL A 31 -0.114 -4.184 -11.156 1.00 34.45 H new ATOM 0 HG23 VAL A 31 0.404 -4.257 -9.455 1.00 34.45 H new ATOM 431 N GLU A 32 0.837 -7.139 -12.947 1.00 72.22 N ATOM 432 CA GLU A 32 -0.180 -7.489 -13.931 1.00 44.24 C ATOM 433 C GLU A 32 -0.937 -8.746 -13.510 1.00 74.40 C ATOM 434 O GLU A 32 -2.041 -9.008 -13.985 1.00 71.45 O ATOM 435 CB GLU A 32 0.459 -7.703 -15.305 1.00 35.50 C ATOM 436 CG GLU A 32 1.208 -9.020 -15.429 1.00 10.42 C ATOM 437 CD GLU A 32 0.582 -9.953 -16.447 1.00 1.51 C ATOM 438 OE1 GLU A 32 -0.658 -10.097 -16.434 1.00 43.33 O ATOM 439 OE2 GLU A 32 1.331 -10.539 -17.256 1.00 21.32 O ATOM 0 H GLU A 32 1.789 -7.382 -13.220 1.00 72.22 H new ATOM 0 HA GLU A 32 -0.888 -6.662 -13.992 1.00 44.24 H new ATOM 0 HB2 GLU A 32 -0.318 -7.663 -16.068 1.00 35.50 H new ATOM 0 HB3 GLU A 32 1.147 -6.883 -15.508 1.00 35.50 H new ATOM 0 HG2 GLU A 32 2.242 -8.821 -15.712 1.00 10.42 H new ATOM 0 HG3 GLU A 32 1.233 -9.513 -14.457 1.00 10.42 H new ATOM 444 N VAL A 33 -0.333 -9.520 -12.613 1.00 1.14 N ATOM 445 CA VAL A 33 -0.948 -10.749 -12.126 1.00 51.32 C ATOM 446 C VAL A 33 -1.499 -10.565 -10.715 1.00 65.12 C ATOM 447 O VAL A 33 -2.073 -11.489 -10.137 1.00 24.42 O ATOM 448 CB VAL A 33 0.056 -11.917 -12.126 1.00 71.40 C ATOM 449 CG1 VAL A 33 0.883 -11.910 -10.849 1.00 73.24 C ATOM 450 CG2 VAL A 33 -0.671 -13.243 -12.293 1.00 32.31 C ATOM 0 H VAL A 33 0.581 -9.317 -12.209 1.00 1.14 H new ATOM 0 HA VAL A 33 -1.767 -10.985 -12.805 1.00 51.32 H new ATOM 0 HB VAL A 33 0.734 -11.791 -12.970 1.00 71.40 H new ATOM 0 HG11 VAL A 33 1.587 -12.742 -10.867 1.00 73.24 H new ATOM 0 HG12 VAL A 33 1.433 -10.971 -10.777 1.00 73.24 H new ATOM 0 HG13 VAL A 33 0.223 -12.011 -9.988 1.00 73.24 H new ATOM 0 HG21 VAL A 33 0.053 -14.058 -12.291 1.00 32.31 H new ATOM 0 HG22 VAL A 33 -1.373 -13.379 -11.470 1.00 32.31 H new ATOM 0 HG23 VAL A 33 -1.215 -13.243 -13.238 1.00 32.31 H new ATOM 460 N LEU A 34 -1.321 -9.368 -10.169 1.00 34.44 N ATOM 461 CA LEU A 34 -1.801 -9.063 -8.825 1.00 21.03 C ATOM 462 C LEU A 34 -3.324 -9.016 -8.789 1.00 55.55 C ATOM 463 O LEU A 34 -3.948 -8.217 -9.488 1.00 23.11 O ATOM 464 CB LEU A 34 -1.226 -7.728 -8.348 1.00 74.32 C ATOM 465 CG LEU A 34 -1.129 -7.542 -6.834 1.00 13.24 C ATOM 466 CD1 LEU A 34 -2.480 -7.150 -6.255 1.00 2.21 C ATOM 467 CD2 LEU A 34 -0.611 -8.811 -6.172 1.00 50.32 C ATOM 0 H LEU A 34 -0.849 -8.593 -10.635 1.00 34.44 H new ATOM 0 HA LEU A 34 -1.465 -9.856 -8.157 1.00 21.03 H new ATOM 0 HB2 LEU A 34 -0.229 -7.612 -8.773 1.00 74.32 H new ATOM 0 HB3 LEU A 34 -1.841 -6.925 -8.754 1.00 74.32 H new ATOM 0 HG LEU A 34 -0.423 -6.736 -6.632 1.00 13.24 H new ATOM 0 HD11 LEU A 34 -2.390 -7.022 -5.176 1.00 2.21 H new ATOM 0 HD12 LEU A 34 -2.811 -6.214 -6.705 1.00 2.21 H new ATOM 0 HD13 LEU A 34 -3.208 -7.933 -6.468 1.00 2.21 H new ATOM 0 HD21 LEU A 34 -0.549 -8.660 -5.094 1.00 50.32 H new ATOM 0 HD22 LEU A 34 -1.291 -9.636 -6.384 1.00 50.32 H new ATOM 0 HD23 LEU A 34 0.379 -9.048 -6.563 1.00 50.32 H new ATOM 478 N ARG A 35 -3.919 -9.875 -7.966 1.00 2.23 N ATOM 479 CA ARG A 35 -5.370 -9.930 -7.838 1.00 52.15 C ATOM 480 C ARG A 35 -5.877 -8.828 -6.913 1.00 13.23 C ATOM 481 O ARG A 35 -5.175 -8.402 -5.995 1.00 20.30 O ATOM 482 CB ARG A 35 -5.804 -11.297 -7.306 1.00 54.31 C ATOM 483 CG ARG A 35 -6.151 -12.295 -8.398 1.00 44.34 C ATOM 484 CD ARG A 35 -7.388 -11.866 -9.172 1.00 73.33 C ATOM 485 NE ARG A 35 -8.582 -12.585 -8.736 1.00 51.11 N ATOM 486 CZ ARG A 35 -9.781 -12.422 -9.286 1.00 5.54 C ATOM 487 NH1 ARG A 35 -9.942 -11.570 -10.288 1.00 40.42 N ATOM 488 NH2 ARG A 35 -10.819 -13.113 -8.834 1.00 11.43 N ATOM 0 H ARG A 35 -3.418 -10.542 -7.379 1.00 2.23 H new ATOM 0 HA ARG A 35 -5.803 -9.778 -8.827 1.00 52.15 H new ATOM 0 HB2 ARG A 35 -5.004 -11.708 -6.691 1.00 54.31 H new ATOM 0 HB3 ARG A 35 -6.670 -11.166 -6.657 1.00 54.31 H new ATOM 0 HG2 ARG A 35 -5.309 -12.395 -9.082 1.00 44.34 H new ATOM 0 HG3 ARG A 35 -6.320 -13.277 -7.955 1.00 44.34 H new ATOM 0 HD2 ARG A 35 -7.543 -10.795 -9.044 1.00 73.33 H new ATOM 0 HD3 ARG A 35 -7.228 -12.040 -10.236 1.00 73.33 H new ATOM 0 HE ARG A 35 -8.491 -13.249 -7.967 1.00 51.11 H new ATOM 0 HH11 ARG A 35 -9.145 -11.038 -10.638 1.00 40.42 H new ATOM 0 HH12 ARG A 35 -10.863 -11.446 -10.709 1.00 40.42 H new ATOM 0 HH21 ARG A 35 -10.698 -13.770 -8.064 1.00 11.43 H new ATOM 0 HH22 ARG A 35 -11.739 -12.987 -9.257 1.00 11.43 H new ATOM 499 N ASP A 36 -7.098 -8.369 -7.162 1.00 73.44 N ATOM 500 CA ASP A 36 -7.700 -7.317 -6.350 1.00 44.40 C ATOM 501 C ASP A 36 -8.108 -7.851 -4.982 1.00 62.14 C ATOM 502 O ASP A 36 -8.189 -7.099 -4.010 1.00 44.04 O ATOM 503 CB ASP A 36 -8.916 -6.725 -7.065 1.00 41.21 C ATOM 504 CG ASP A 36 -8.732 -6.665 -8.569 1.00 24.53 C ATOM 505 OD1 ASP A 36 -8.137 -5.681 -9.056 1.00 34.35 O ATOM 506 OD2 ASP A 36 -9.183 -7.603 -9.260 1.00 70.14 O ATOM 0 H ASP A 36 -7.691 -8.708 -7.919 1.00 73.44 H new ATOM 0 HA ASP A 36 -6.956 -6.534 -6.205 1.00 44.40 H new ATOM 0 HB2 ASP A 36 -9.797 -7.324 -6.833 1.00 41.21 H new ATOM 0 HB3 ASP A 36 -9.104 -5.721 -6.685 1.00 41.21 H new ATOM 510 N ASP A 37 -8.366 -9.153 -4.914 1.00 2.45 N ATOM 511 CA ASP A 37 -8.767 -9.789 -3.664 1.00 11.54 C ATOM 512 C ASP A 37 -7.583 -10.493 -3.009 1.00 64.14 C ATOM 513 O ASP A 37 -7.761 -11.356 -2.149 1.00 44.10 O ATOM 514 CB ASP A 37 -9.898 -10.787 -3.915 1.00 21.43 C ATOM 515 CG ASP A 37 -11.136 -10.128 -4.490 1.00 35.04 C ATOM 516 OD1 ASP A 37 -11.601 -9.128 -3.904 1.00 73.24 O ATOM 517 OD2 ASP A 37 -11.640 -10.612 -5.525 1.00 13.13 O ATOM 0 H ASP A 37 -8.305 -9.788 -5.710 1.00 2.45 H new ATOM 0 HA ASP A 37 -9.124 -9.013 -2.987 1.00 11.54 H new ATOM 0 HB2 ASP A 37 -9.551 -11.560 -4.600 1.00 21.43 H new ATOM 0 HB3 ASP A 37 -10.156 -11.283 -2.979 1.00 21.43 H new ATOM 521 N SER A 38 -6.376 -10.122 -3.424 1.00 54.13 N ATOM 522 CA SER A 38 -5.163 -10.723 -2.881 1.00 0.12 C ATOM 523 C SER A 38 -4.903 -10.233 -1.460 1.00 3.22 C ATOM 524 O SER A 38 -4.782 -9.032 -1.218 1.00 45.44 O ATOM 525 CB SER A 38 -3.964 -10.397 -3.773 1.00 44.13 C ATOM 526 OG SER A 38 -3.787 -8.996 -3.897 1.00 24.41 O ATOM 0 H SER A 38 -6.212 -9.408 -4.134 1.00 54.13 H new ATOM 0 HA SER A 38 -5.303 -11.804 -2.854 1.00 0.12 H new ATOM 0 HB2 SER A 38 -3.063 -10.845 -3.354 1.00 44.13 H new ATOM 0 HB3 SER A 38 -4.110 -10.837 -4.759 1.00 44.13 H new ATOM 0 HG SER A 38 -4.229 -8.681 -4.713 1.00 24.41 H new ATOM 531 N ARG A 39 -4.817 -11.171 -0.523 1.00 61.24 N ATOM 532 CA ARG A 39 -4.573 -10.836 0.875 1.00 0.42 C ATOM 533 C ARG A 39 -3.078 -10.675 1.141 1.00 54.14 C ATOM 534 O ARG A 39 -2.248 -11.279 0.463 1.00 32.22 O ATOM 535 CB ARG A 39 -5.152 -11.917 1.790 1.00 24.14 C ATOM 536 CG ARG A 39 -6.505 -12.438 1.336 1.00 44.20 C ATOM 537 CD ARG A 39 -7.404 -12.757 2.520 1.00 54.23 C ATOM 538 NE ARG A 39 -8.037 -11.558 3.064 1.00 71.50 N ATOM 539 CZ ARG A 39 -9.143 -11.581 3.800 1.00 44.21 C ATOM 540 NH1 ARG A 39 -9.735 -12.734 4.077 1.00 73.33 N ATOM 541 NH2 ARG A 39 -9.659 -10.448 4.259 1.00 54.12 N ATOM 0 H ARG A 39 -4.913 -12.170 -0.707 1.00 61.24 H new ATOM 0 HA ARG A 39 -5.067 -9.888 1.088 1.00 0.42 H new ATOM 0 HB2 ARG A 39 -4.451 -12.750 1.843 1.00 24.14 H new ATOM 0 HB3 ARG A 39 -5.247 -11.515 2.799 1.00 24.14 H new ATOM 0 HG2 ARG A 39 -6.988 -11.695 0.701 1.00 44.20 H new ATOM 0 HG3 ARG A 39 -6.367 -13.334 0.731 1.00 44.20 H new ATOM 0 HD2 ARG A 39 -8.173 -13.465 2.211 1.00 54.23 H new ATOM 0 HD3 ARG A 39 -6.818 -13.243 3.300 1.00 54.23 H new ATOM 0 HE ARG A 39 -7.607 -10.654 2.868 1.00 71.50 H new ATOM 0 HH11 ARG A 39 -9.342 -13.607 3.725 1.00 73.33 H new ATOM 0 HH12 ARG A 39 -10.584 -12.749 4.642 1.00 73.33 H new ATOM 0 HH21 ARG A 39 -9.207 -9.559 4.047 1.00 54.12 H new ATOM 0 HH22 ARG A 39 -10.508 -10.466 4.824 1.00 54.12 H new ATOM 552 N PHE A 40 -2.746 -9.855 2.133 1.00 21.23 N ATOM 553 CA PHE A 40 -1.352 -9.613 2.488 1.00 74.21 C ATOM 554 C PHE A 40 -0.800 -10.757 3.334 1.00 21.32 C ATOM 555 O PHE A 40 0.140 -10.574 4.109 1.00 13.51 O ATOM 556 CB PHE A 40 -1.220 -8.292 3.248 1.00 52.20 C ATOM 557 CG PHE A 40 -1.982 -7.160 2.620 1.00 21.44 C ATOM 558 CD1 PHE A 40 -1.516 -6.550 1.467 1.00 40.33 C ATOM 559 CD2 PHE A 40 -3.163 -6.706 3.184 1.00 12.12 C ATOM 560 CE1 PHE A 40 -2.216 -5.509 0.885 1.00 53.01 C ATOM 561 CE2 PHE A 40 -3.867 -5.665 2.608 1.00 21.14 C ATOM 562 CZ PHE A 40 -3.392 -5.065 1.458 1.00 61.33 C ATOM 0 H PHE A 40 -3.422 -9.348 2.704 1.00 21.23 H new ATOM 0 HA PHE A 40 -0.773 -9.554 1.566 1.00 74.21 H new ATOM 0 HB2 PHE A 40 -1.572 -8.433 4.270 1.00 52.20 H new ATOM 0 HB3 PHE A 40 -0.166 -8.021 3.308 1.00 52.20 H new ATOM 0 HD1 PHE A 40 -0.595 -6.891 1.017 1.00 40.33 H new ATOM 0 HD2 PHE A 40 -3.538 -7.171 4.084 1.00 12.12 H new ATOM 0 HE1 PHE A 40 -1.844 -5.044 -0.016 1.00 53.01 H new ATOM 0 HE2 PHE A 40 -4.787 -5.321 3.057 1.00 21.14 H new ATOM 0 HZ PHE A 40 -3.939 -4.250 1.008 1.00 61.33 H new ATOM 571 N LEU A 41 -1.391 -11.936 3.181 1.00 22.33 N ATOM 572 CA LEU A 41 -0.959 -13.112 3.931 1.00 43.42 C ATOM 573 C LEU A 41 -1.413 -14.394 3.241 1.00 2.31 C ATOM 574 O LEU A 41 -0.651 -15.355 3.132 1.00 43.44 O ATOM 575 CB LEU A 41 -1.512 -13.063 5.356 1.00 75.21 C ATOM 576 CG LEU A 41 -0.642 -12.346 6.389 1.00 2.13 C ATOM 577 CD1 LEU A 41 -1.329 -12.328 7.746 1.00 41.42 C ATOM 578 CD2 LEU A 41 0.723 -13.011 6.490 1.00 11.21 C ATOM 0 H LEU A 41 -2.170 -12.104 2.545 1.00 22.33 H new ATOM 0 HA LEU A 41 0.130 -13.108 3.970 1.00 43.42 H new ATOM 0 HB2 LEU A 41 -2.486 -12.575 5.330 1.00 75.21 H new ATOM 0 HB3 LEU A 41 -1.677 -14.085 5.696 1.00 75.21 H new ATOM 0 HG LEU A 41 -0.500 -11.316 6.063 1.00 2.13 H new ATOM 0 HD11 LEU A 41 -0.695 -11.814 8.468 1.00 41.42 H new ATOM 0 HD12 LEU A 41 -2.283 -11.806 7.664 1.00 41.42 H new ATOM 0 HD13 LEU A 41 -1.503 -13.351 8.080 1.00 41.42 H new ATOM 0 HD21 LEU A 41 1.329 -12.488 7.230 1.00 11.21 H new ATOM 0 HD22 LEU A 41 0.600 -14.051 6.792 1.00 11.21 H new ATOM 0 HD23 LEU A 41 1.220 -12.971 5.521 1.00 11.21 H new ATOM 589 N ASP A 42 -2.657 -14.401 2.775 1.00 40.14 N ATOM 590 CA ASP A 42 -3.211 -15.565 2.093 1.00 1.20 C ATOM 591 C ASP A 42 -2.356 -15.946 0.889 1.00 64.42 C ATOM 592 O ASP A 42 -1.888 -17.080 0.781 1.00 31.31 O ATOM 593 CB ASP A 42 -4.647 -15.284 1.646 1.00 30.13 C ATOM 594 CG ASP A 42 -5.396 -16.550 1.276 1.00 12.32 C ATOM 595 OD1 ASP A 42 -4.761 -17.624 1.234 1.00 34.52 O ATOM 596 OD2 ASP A 42 -6.617 -16.465 1.028 1.00 3.51 O ATOM 0 H ASP A 42 -3.301 -13.614 2.857 1.00 40.14 H new ATOM 0 HA ASP A 42 -3.213 -16.400 2.794 1.00 1.20 H new ATOM 0 HB2 ASP A 42 -5.180 -14.771 2.446 1.00 30.13 H new ATOM 0 HB3 ASP A 42 -4.633 -14.610 0.789 1.00 30.13 H new ATOM 600 N ASP A 43 -2.158 -14.994 -0.016 1.00 1.44 N ATOM 601 CA ASP A 43 -1.358 -15.230 -1.213 1.00 41.43 C ATOM 602 C ASP A 43 -0.068 -14.418 -1.173 1.00 44.20 C ATOM 603 O ASP A 43 1.028 -14.970 -1.279 1.00 11.34 O ATOM 604 CB ASP A 43 -2.162 -14.875 -2.465 1.00 23.11 C ATOM 605 CG ASP A 43 -2.637 -16.103 -3.216 1.00 23.12 C ATOM 606 OD1 ASP A 43 -3.745 -16.590 -2.914 1.00 73.54 O ATOM 607 OD2 ASP A 43 -1.898 -16.579 -4.105 1.00 42.52 O ATOM 0 H ASP A 43 -2.540 -14.051 0.056 1.00 1.44 H new ATOM 0 HA ASP A 43 -1.098 -16.288 -1.245 1.00 41.43 H new ATOM 0 HB2 ASP A 43 -3.024 -14.271 -2.181 1.00 23.11 H new ATOM 0 HB3 ASP A 43 -1.548 -14.263 -3.126 1.00 23.11 H new ATOM 611 N LEU A 44 -0.205 -13.106 -1.023 1.00 11.03 N ATOM 612 CA LEU A 44 0.951 -12.217 -0.971 1.00 72.01 C ATOM 613 C LEU A 44 1.916 -12.642 0.132 1.00 62.33 C ATOM 614 O LEU A 44 3.113 -12.365 0.064 1.00 4.11 O ATOM 615 CB LEU A 44 0.499 -10.774 -0.739 1.00 14.53 C ATOM 616 CG LEU A 44 -0.638 -10.275 -1.633 1.00 13.10 C ATOM 617 CD1 LEU A 44 -1.087 -8.887 -1.201 1.00 35.32 C ATOM 618 CD2 LEU A 44 -0.206 -10.268 -3.091 1.00 2.34 C ATOM 0 H LEU A 44 -1.105 -12.633 -0.935 1.00 11.03 H new ATOM 0 HA LEU A 44 1.470 -12.280 -1.927 1.00 72.01 H new ATOM 0 HB2 LEU A 44 0.187 -10.675 0.301 1.00 14.53 H new ATOM 0 HB3 LEU A 44 1.358 -10.118 -0.878 1.00 14.53 H new ATOM 0 HG LEU A 44 -1.482 -10.956 -1.529 1.00 13.10 H new ATOM 0 HD11 LEU A 44 -1.896 -8.548 -1.848 1.00 35.32 H new ATOM 0 HD12 LEU A 44 -1.438 -8.923 -0.170 1.00 35.32 H new ATOM 0 HD13 LEU A 44 -0.249 -8.194 -1.275 1.00 35.32 H new ATOM 0 HD21 LEU A 44 -1.027 -9.910 -3.712 1.00 2.34 H new ATOM 0 HD22 LEU A 44 0.654 -9.610 -3.212 1.00 2.34 H new ATOM 0 HD23 LEU A 44 0.065 -11.279 -3.395 1.00 2.34 H new ATOM 629 N HIS A 45 1.387 -13.319 1.145 1.00 13.10 N ATOM 630 CA HIS A 45 2.202 -13.786 2.261 1.00 33.22 C ATOM 631 C HIS A 45 3.097 -12.667 2.785 1.00 24.01 C ATOM 632 O HIS A 45 4.287 -12.613 2.472 1.00 42.42 O ATOM 633 CB HIS A 45 3.055 -14.980 1.832 1.00 11.23 C ATOM 634 CG HIS A 45 3.553 -15.803 2.980 1.00 62.03 C ATOM 635 ND1 HIS A 45 3.098 -17.078 3.245 1.00 11.35 N ATOM 636 CD2 HIS A 45 4.474 -15.528 3.933 1.00 74.42 C ATOM 637 CE1 HIS A 45 3.716 -17.550 4.313 1.00 12.34 C ATOM 638 NE2 HIS A 45 4.557 -16.629 4.750 1.00 64.14 N ATOM 0 H HIS A 45 0.398 -13.557 1.217 1.00 13.10 H new ATOM 0 HA HIS A 45 1.533 -14.097 3.063 1.00 33.22 H new ATOM 0 HB2 HIS A 45 2.469 -15.615 1.168 1.00 11.23 H new ATOM 0 HB3 HIS A 45 3.908 -14.619 1.257 1.00 11.23 H new ATOM 0 HD2 HIS A 45 5.039 -14.613 4.033 1.00 74.42 H new ATOM 0 HE1 HIS A 45 3.560 -18.523 4.754 1.00 12.34 H new ATOM 0 HE2 HIS A 45 5.168 -16.721 5.562 1.00 64.14 H new ATOM 645 N MET A 46 2.519 -11.777 3.585 1.00 45.32 N ATOM 646 CA MET A 46 3.265 -10.660 4.151 1.00 15.25 C ATOM 647 C MET A 46 2.933 -10.479 5.629 1.00 4.04 C ATOM 648 O MET A 46 1.834 -10.053 5.981 1.00 41.14 O ATOM 649 CB MET A 46 2.957 -9.372 3.386 1.00 13.54 C ATOM 650 CG MET A 46 2.750 -9.585 1.895 1.00 54.34 C ATOM 651 SD MET A 46 1.692 -8.327 1.154 1.00 11.13 S ATOM 652 CE MET A 46 2.761 -7.705 -0.141 1.00 21.23 C ATOM 0 H MET A 46 1.536 -11.808 3.856 1.00 45.32 H new ATOM 0 HA MET A 46 4.328 -10.882 4.059 1.00 15.25 H new ATOM 0 HB2 MET A 46 2.062 -8.914 3.807 1.00 13.54 H new ATOM 0 HB3 MET A 46 3.775 -8.667 3.534 1.00 13.54 H new ATOM 0 HG2 MET A 46 3.718 -9.582 1.394 1.00 54.34 H new ATOM 0 HG3 MET A 46 2.309 -10.568 1.730 1.00 54.34 H new ATOM 0 HE1 MET A 46 2.558 -6.646 -0.303 1.00 21.23 H new ATOM 0 HE2 MET A 46 3.802 -7.834 0.154 1.00 21.23 H new ATOM 0 HE3 MET A 46 2.574 -8.256 -1.063 1.00 21.23 H new ATOM 660 N SER A 47 3.892 -10.805 6.490 1.00 71.35 N ATOM 661 CA SER A 47 3.700 -10.683 7.930 1.00 32.20 C ATOM 662 C SER A 47 3.343 -9.249 8.311 1.00 21.32 C ATOM 663 O SER A 47 3.602 -8.312 7.555 1.00 61.32 O ATOM 664 CB SER A 47 4.963 -11.122 8.674 1.00 0.12 C ATOM 665 OG SER A 47 5.403 -12.392 8.227 1.00 75.14 O ATOM 0 H SER A 47 4.810 -11.156 6.215 1.00 71.35 H new ATOM 0 HA SER A 47 2.874 -11.333 8.218 1.00 32.20 H new ATOM 0 HB2 SER A 47 5.753 -10.386 8.522 1.00 0.12 H new ATOM 0 HB3 SER A 47 4.764 -11.159 9.745 1.00 0.12 H new ATOM 0 HG SER A 47 6.212 -12.649 8.717 1.00 75.14 H new ATOM 670 N SER A 48 2.749 -9.086 9.488 1.00 52.44 N ATOM 671 CA SER A 48 2.352 -7.768 9.969 1.00 5.22 C ATOM 672 C SER A 48 3.496 -6.768 9.815 1.00 74.54 C ATOM 673 O SER A 48 3.275 -5.602 9.486 1.00 73.34 O ATOM 674 CB SER A 48 1.919 -7.844 11.434 1.00 23.33 C ATOM 675 OG SER A 48 2.639 -8.849 12.127 1.00 24.51 O ATOM 0 H SER A 48 2.532 -9.851 10.127 1.00 52.44 H new ATOM 0 HA SER A 48 1.509 -7.427 9.367 1.00 5.22 H new ATOM 0 HB2 SER A 48 2.081 -6.879 11.915 1.00 23.33 H new ATOM 0 HB3 SER A 48 0.851 -8.053 11.490 1.00 23.33 H new ATOM 0 HG SER A 48 2.345 -8.876 13.062 1.00 24.51 H new ATOM 680 N ILE A 49 4.716 -7.233 10.057 1.00 25.40 N ATOM 681 CA ILE A 49 5.894 -6.383 9.945 1.00 12.42 C ATOM 682 C ILE A 49 6.246 -6.120 8.485 1.00 71.35 C ATOM 683 O ILE A 49 6.611 -5.004 8.113 1.00 23.14 O ATOM 684 CB ILE A 49 7.111 -7.008 10.651 1.00 62.45 C ATOM 685 CG1 ILE A 49 6.792 -7.276 12.123 1.00 33.05 C ATOM 686 CG2 ILE A 49 8.324 -6.100 10.522 1.00 30.01 C ATOM 687 CD1 ILE A 49 6.242 -8.662 12.380 1.00 10.52 C ATOM 0 H ILE A 49 4.915 -8.195 10.332 1.00 25.40 H new ATOM 0 HA ILE A 49 5.648 -5.440 10.433 1.00 12.42 H new ATOM 0 HB ILE A 49 7.342 -7.959 10.170 1.00 62.45 H new ATOM 0 HG12 ILE A 49 7.698 -7.138 12.714 1.00 33.05 H new ATOM 0 HG13 ILE A 49 6.070 -6.537 12.470 1.00 33.05 H new ATOM 0 HG21 ILE A 49 9.176 -6.557 11.026 1.00 30.01 H new ATOM 0 HG22 ILE A 49 8.561 -5.957 9.468 1.00 30.01 H new ATOM 0 HG23 ILE A 49 8.106 -5.135 10.979 1.00 30.01 H new ATOM 0 HD11 ILE A 49 6.039 -8.781 13.444 1.00 10.52 H new ATOM 0 HD12 ILE A 49 5.319 -8.797 11.817 1.00 10.52 H new ATOM 0 HD13 ILE A 49 6.972 -9.407 12.064 1.00 10.52 H new ATOM 698 N THR A 50 6.132 -7.156 7.659 1.00 53.52 N ATOM 699 CA THR A 50 6.437 -7.038 6.239 1.00 3.33 C ATOM 700 C THR A 50 5.497 -6.052 5.554 1.00 13.14 C ATOM 701 O THR A 50 5.908 -5.300 4.670 1.00 41.51 O ATOM 702 CB THR A 50 6.339 -8.401 5.528 1.00 40.30 C ATOM 703 OG1 THR A 50 7.239 -9.336 6.134 1.00 10.42 O ATOM 704 CG2 THR A 50 6.662 -8.265 4.048 1.00 1.33 C ATOM 0 H THR A 50 5.831 -8.086 7.950 1.00 53.52 H new ATOM 0 HA THR A 50 7.461 -6.671 6.166 1.00 3.33 H new ATOM 0 HB THR A 50 5.316 -8.765 5.628 1.00 40.30 H new ATOM 0 HG1 THR A 50 7.169 -10.200 5.677 1.00 10.42 H new ATOM 0 HG21 THR A 50 6.586 -9.241 3.568 1.00 1.33 H new ATOM 0 HG22 THR A 50 5.957 -7.576 3.583 1.00 1.33 H new ATOM 0 HG23 THR A 50 7.675 -7.881 3.931 1.00 1.33 H new ATOM 712 N VAL A 51 4.235 -6.060 5.968 1.00 34.11 N ATOM 713 CA VAL A 51 3.237 -5.164 5.396 1.00 42.15 C ATOM 714 C VAL A 51 3.574 -3.707 5.687 1.00 31.12 C ATOM 715 O VAL A 51 3.573 -2.867 4.789 1.00 2.31 O ATOM 716 CB VAL A 51 1.829 -5.473 5.939 1.00 55.31 C ATOM 717 CG1 VAL A 51 0.768 -4.779 5.098 1.00 12.24 C ATOM 718 CG2 VAL A 51 1.590 -6.975 5.979 1.00 43.41 C ATOM 0 H VAL A 51 3.879 -6.677 6.698 1.00 34.11 H new ATOM 0 HA VAL A 51 3.247 -5.327 4.318 1.00 42.15 H new ATOM 0 HB VAL A 51 1.760 -5.090 6.957 1.00 55.31 H new ATOM 0 HG11 VAL A 51 -0.220 -5.009 5.497 1.00 12.24 H new ATOM 0 HG12 VAL A 51 0.929 -3.701 5.126 1.00 12.24 H new ATOM 0 HG13 VAL A 51 0.834 -5.129 4.068 1.00 12.24 H new ATOM 0 HG21 VAL A 51 0.590 -7.174 6.365 1.00 43.41 H new ATOM 0 HG22 VAL A 51 1.678 -7.384 4.973 1.00 43.41 H new ATOM 0 HG23 VAL A 51 2.330 -7.444 6.628 1.00 43.41 H new ATOM 728 N GLY A 52 3.864 -3.413 6.952 1.00 71.42 N ATOM 729 CA GLY A 52 4.200 -2.057 7.340 1.00 10.25 C ATOM 730 C GLY A 52 5.376 -1.504 6.559 1.00 74.11 C ATOM 731 O GLY A 52 5.483 -0.295 6.360 1.00 1.50 O ATOM 0 H GLY A 52 3.872 -4.091 7.714 1.00 71.42 H new ATOM 0 HA2 GLY A 52 3.333 -1.414 7.189 1.00 10.25 H new ATOM 0 HA3 GLY A 52 4.432 -2.034 8.405 1.00 10.25 H new ATOM 735 N GLN A 53 6.260 -2.392 6.118 1.00 62.11 N ATOM 736 CA GLN A 53 7.435 -1.986 5.356 1.00 11.13 C ATOM 737 C GLN A 53 7.035 -1.426 3.994 1.00 33.44 C ATOM 738 O GLN A 53 7.552 -0.396 3.559 1.00 73.14 O ATOM 739 CB GLN A 53 8.387 -3.171 5.175 1.00 44.42 C ATOM 740 CG GLN A 53 8.688 -3.913 6.466 1.00 1.30 C ATOM 741 CD GLN A 53 10.148 -3.821 6.865 1.00 71.23 C ATOM 742 OE1 GLN A 53 10.580 -2.832 7.458 1.00 71.34 O ATOM 743 NE2 GLN A 53 10.916 -4.855 6.542 1.00 1.11 N ATOM 0 H GLN A 53 6.185 -3.397 6.275 1.00 62.11 H new ATOM 0 HA GLN A 53 7.945 -1.201 5.915 1.00 11.13 H new ATOM 0 HB2 GLN A 53 7.954 -3.868 4.458 1.00 44.42 H new ATOM 0 HB3 GLN A 53 9.322 -2.812 4.745 1.00 44.42 H new ATOM 0 HG2 GLN A 53 8.070 -3.507 7.267 1.00 1.30 H new ATOM 0 HG3 GLN A 53 8.412 -4.961 6.351 1.00 1.30 H new ATOM 0 HE21 GLN A 53 10.515 -5.654 6.050 1.00 1.11 H new ATOM 0 HE22 GLN A 53 11.906 -4.850 6.786 1.00 1.11 H new ATOM 750 N LEU A 54 6.114 -2.112 3.327 1.00 12.52 N ATOM 751 CA LEU A 54 5.644 -1.683 2.015 1.00 4.33 C ATOM 752 C LEU A 54 4.595 -0.583 2.143 1.00 22.02 C ATOM 753 O LEU A 54 4.499 0.300 1.291 1.00 52.43 O ATOM 754 CB LEU A 54 5.062 -2.870 1.246 1.00 74.52 C ATOM 755 CG LEU A 54 3.563 -3.115 1.424 1.00 14.11 C ATOM 756 CD1 LEU A 54 2.767 -2.323 0.398 1.00 70.34 C ATOM 757 CD2 LEU A 54 3.248 -4.600 1.316 1.00 41.53 C ATOM 0 H LEU A 54 5.678 -2.967 3.673 1.00 12.52 H new ATOM 0 HA LEU A 54 6.497 -1.284 1.465 1.00 4.33 H new ATOM 0 HB2 LEU A 54 5.262 -2.723 0.185 1.00 74.52 H new ATOM 0 HB3 LEU A 54 5.596 -3.771 1.549 1.00 74.52 H new ATOM 0 HG LEU A 54 3.275 -2.775 2.419 1.00 14.11 H new ATOM 0 HD11 LEU A 54 1.703 -2.510 0.540 1.00 70.34 H new ATOM 0 HD12 LEU A 54 2.969 -1.259 0.523 1.00 70.34 H new ATOM 0 HD13 LEU A 54 3.059 -2.632 -0.606 1.00 70.34 H new ATOM 0 HD21 LEU A 54 2.177 -4.755 1.445 1.00 41.53 H new ATOM 0 HD22 LEU A 54 3.552 -4.966 0.335 1.00 41.53 H new ATOM 0 HD23 LEU A 54 3.789 -5.144 2.090 1.00 41.53 H new ATOM 768 N VAL A 55 3.812 -0.642 3.216 1.00 44.40 N ATOM 769 CA VAL A 55 2.773 0.351 3.459 1.00 2.13 C ATOM 770 C VAL A 55 3.361 1.757 3.528 1.00 51.22 C ATOM 771 O VAL A 55 2.734 2.724 3.097 1.00 73.21 O ATOM 772 CB VAL A 55 2.014 0.060 4.767 1.00 52.24 C ATOM 773 CG1 VAL A 55 1.274 1.302 5.242 1.00 75.25 C ATOM 774 CG2 VAL A 55 1.052 -1.103 4.576 1.00 32.12 C ATOM 0 H VAL A 55 3.878 -1.367 3.930 1.00 44.40 H new ATOM 0 HA VAL A 55 2.077 0.292 2.622 1.00 2.13 H new ATOM 0 HB VAL A 55 2.738 -0.218 5.533 1.00 52.24 H new ATOM 0 HG11 VAL A 55 0.743 1.078 6.167 1.00 75.25 H new ATOM 0 HG12 VAL A 55 1.989 2.106 5.419 1.00 75.25 H new ATOM 0 HG13 VAL A 55 0.559 1.613 4.480 1.00 75.25 H new ATOM 0 HG21 VAL A 55 0.524 -1.295 5.510 1.00 32.12 H new ATOM 0 HG22 VAL A 55 0.332 -0.855 3.796 1.00 32.12 H new ATOM 0 HG23 VAL A 55 1.610 -1.993 4.285 1.00 32.12 H new ATOM 784 N ASN A 56 4.568 1.861 4.072 1.00 4.21 N ATOM 785 CA ASN A 56 5.241 3.149 4.197 1.00 62.22 C ATOM 786 C ASN A 56 5.597 3.712 2.824 1.00 21.44 C ATOM 787 O ASN A 56 5.626 4.927 2.630 1.00 24.14 O ATOM 788 CB ASN A 56 6.506 3.007 5.046 1.00 61.24 C ATOM 789 CG ASN A 56 6.296 3.466 6.476 1.00 14.14 C ATOM 790 OD1 ASN A 56 5.763 4.548 6.721 1.00 44.41 O ATOM 791 ND2 ASN A 56 6.717 2.642 7.430 1.00 41.43 N ATOM 0 H ASN A 56 5.101 1.070 4.433 1.00 4.21 H new ATOM 0 HA ASN A 56 4.558 3.842 4.688 1.00 62.22 H new ATOM 0 HB2 ASN A 56 6.826 1.965 5.045 1.00 61.24 H new ATOM 0 HB3 ASN A 56 7.310 3.588 4.595 1.00 61.24 H new ATOM 0 HD21 ASN A 56 6.603 2.897 8.411 1.00 41.43 H new ATOM 0 HD22 ASN A 56 7.154 1.754 7.181 1.00 41.43 H new ATOM 797 N GLU A 57 5.868 2.820 1.876 1.00 75.34 N ATOM 798 CA GLU A 57 6.223 3.229 0.523 1.00 62.13 C ATOM 799 C GLU A 57 5.014 3.812 -0.203 1.00 3.42 C ATOM 800 O GLU A 57 5.148 4.728 -1.015 1.00 40.35 O ATOM 801 CB GLU A 57 6.779 2.040 -0.264 1.00 61.13 C ATOM 802 CG GLU A 57 7.555 2.441 -1.507 1.00 73.13 C ATOM 803 CD GLU A 57 8.687 3.402 -1.202 1.00 62.10 C ATOM 804 OE1 GLU A 57 9.596 3.024 -0.434 1.00 1.52 O ATOM 805 OE2 GLU A 57 8.665 4.533 -1.733 1.00 52.02 O ATOM 0 H GLU A 57 5.848 1.810 2.020 1.00 75.34 H new ATOM 0 HA GLU A 57 6.990 4.000 0.593 1.00 62.13 H new ATOM 0 HB2 GLU A 57 7.430 1.456 0.387 1.00 61.13 H new ATOM 0 HB3 GLU A 57 5.954 1.390 -0.555 1.00 61.13 H new ATOM 0 HG2 GLU A 57 7.960 1.547 -1.982 1.00 73.13 H new ATOM 0 HG3 GLU A 57 6.875 2.902 -2.223 1.00 73.13 H new ATOM 810 N ALA A 58 3.836 3.274 0.094 1.00 13.40 N ATOM 811 CA ALA A 58 2.604 3.742 -0.529 1.00 41.52 C ATOM 812 C ALA A 58 2.265 5.159 -0.080 1.00 13.34 C ATOM 813 O ALA A 58 2.037 6.045 -0.904 1.00 73.42 O ATOM 814 CB ALA A 58 1.457 2.795 -0.206 1.00 4.12 C ATOM 0 H ALA A 58 3.709 2.514 0.762 1.00 13.40 H new ATOM 0 HA ALA A 58 2.755 3.758 -1.608 1.00 41.52 H new ATOM 0 HB1 ALA A 58 0.543 3.156 -0.677 1.00 4.12 H new ATOM 0 HB2 ALA A 58 1.690 1.799 -0.583 1.00 4.12 H new ATOM 0 HB3 ALA A 58 1.315 2.750 0.874 1.00 4.12 H new ATOM 820 N ALA A 59 2.232 5.367 1.233 1.00 21.12 N ATOM 821 CA ALA A 59 1.923 6.677 1.792 1.00 65.13 C ATOM 822 C ALA A 59 2.905 7.732 1.295 1.00 62.25 C ATOM 823 O ALA A 59 2.524 8.872 1.028 1.00 33.55 O ATOM 824 CB ALA A 59 1.932 6.618 3.312 1.00 41.42 C ATOM 0 H ALA A 59 2.416 4.644 1.929 1.00 21.12 H new ATOM 0 HA ALA A 59 0.926 6.961 1.457 1.00 65.13 H new ATOM 0 HB1 ALA A 59 1.700 7.603 3.716 1.00 41.42 H new ATOM 0 HB2 ALA A 59 1.185 5.901 3.653 1.00 41.42 H new ATOM 0 HB3 ALA A 59 2.918 6.307 3.658 1.00 41.42 H new ATOM 830 N ARG A 60 4.170 7.345 1.173 1.00 30.24 N ATOM 831 CA ARG A 60 5.208 8.259 0.711 1.00 25.21 C ATOM 832 C ARG A 60 4.894 8.772 -0.692 1.00 4.03 C ATOM 833 O ARG A 60 5.066 9.955 -0.984 1.00 72.50 O ATOM 834 CB ARG A 60 6.570 7.563 0.718 1.00 45.11 C ATOM 835 CG ARG A 60 7.739 8.514 0.922 1.00 64.43 C ATOM 836 CD ARG A 60 8.133 8.606 2.387 1.00 71.02 C ATOM 837 NE ARG A 60 9.434 7.995 2.643 1.00 35.35 N ATOM 838 CZ ARG A 60 9.958 7.866 3.857 1.00 21.43 C ATOM 839 NH1 ARG A 60 9.296 8.301 4.919 1.00 34.10 N ATOM 840 NH2 ARG A 60 11.148 7.299 4.009 1.00 20.44 N ATOM 0 H ARG A 60 4.501 6.404 1.388 1.00 30.24 H new ATOM 0 HA ARG A 60 5.239 9.109 1.392 1.00 25.21 H new ATOM 0 HB2 ARG A 60 6.581 6.812 1.508 1.00 45.11 H new ATOM 0 HB3 ARG A 60 6.703 7.034 -0.226 1.00 45.11 H new ATOM 0 HG2 ARG A 60 8.592 8.174 0.335 1.00 64.43 H new ATOM 0 HG3 ARG A 60 7.472 9.504 0.553 1.00 64.43 H new ATOM 0 HD2 ARG A 60 8.158 9.653 2.691 1.00 71.02 H new ATOM 0 HD3 ARG A 60 7.375 8.115 2.998 1.00 71.02 H new ATOM 0 HE ARG A 60 9.969 7.649 1.847 1.00 35.35 H new ATOM 0 HH11 ARG A 60 8.381 8.737 4.806 1.00 34.10 H new ATOM 0 HH12 ARG A 60 9.702 8.200 5.849 1.00 34.10 H new ATOM 0 HH21 ARG A 60 11.660 6.962 3.194 1.00 20.44 H new ATOM 0 HH22 ARG A 60 11.550 7.200 4.941 1.00 20.44 H new ATOM 851 N ALA A 61 4.434 7.873 -1.557 1.00 72.52 N ATOM 852 CA ALA A 61 4.095 8.235 -2.927 1.00 2.14 C ATOM 853 C ALA A 61 2.861 9.130 -2.969 1.00 62.13 C ATOM 854 O ALA A 61 2.809 10.096 -3.730 1.00 64.22 O ATOM 855 CB ALA A 61 3.872 6.984 -3.763 1.00 73.23 C ATOM 0 H ALA A 61 4.288 6.889 -1.332 1.00 72.52 H new ATOM 0 HA ALA A 61 4.931 8.795 -3.347 1.00 2.14 H new ATOM 0 HB1 ALA A 61 3.619 7.269 -4.784 1.00 73.23 H new ATOM 0 HB2 ALA A 61 4.781 6.383 -3.768 1.00 73.23 H new ATOM 0 HB3 ALA A 61 3.055 6.402 -3.336 1.00 73.23 H new ATOM 861 N MET A 62 1.869 8.801 -2.149 1.00 33.31 N ATOM 862 CA MET A 62 0.635 9.576 -2.092 1.00 4.21 C ATOM 863 C MET A 62 0.873 10.930 -1.431 1.00 60.24 C ATOM 864 O MET A 62 0.103 11.870 -1.624 1.00 30.14 O ATOM 865 CB MET A 62 -0.443 8.804 -1.329 1.00 0.43 C ATOM 866 CG MET A 62 -0.739 7.434 -1.915 1.00 44.31 C ATOM 867 SD MET A 62 -1.184 7.506 -3.661 1.00 32.11 S ATOM 868 CE MET A 62 -2.914 7.049 -3.588 1.00 1.40 C ATOM 0 H MET A 62 1.895 8.003 -1.515 1.00 33.31 H new ATOM 0 HA MET A 62 0.295 9.746 -3.113 1.00 4.21 H new ATOM 0 HB2 MET A 62 -0.129 8.686 -0.292 1.00 0.43 H new ATOM 0 HB3 MET A 62 -1.361 9.392 -1.319 1.00 0.43 H new ATOM 0 HG2 MET A 62 0.135 6.794 -1.793 1.00 44.31 H new ATOM 0 HG3 MET A 62 -1.552 6.972 -1.356 1.00 44.31 H new ATOM 0 HE1 MET A 62 -3.409 7.349 -4.511 1.00 1.40 H new ATOM 0 HE2 MET A 62 -3.000 5.969 -3.465 1.00 1.40 H new ATOM 0 HE3 MET A 62 -3.387 7.550 -2.743 1.00 1.40 H new ATOM 876 N GLY A 63 1.945 11.022 -0.648 1.00 70.24 N ATOM 877 CA GLY A 63 2.264 12.264 0.030 1.00 12.01 C ATOM 878 C GLY A 63 1.830 12.259 1.483 1.00 22.10 C ATOM 879 O GLY A 63 1.987 13.256 2.189 1.00 10.23 O ATOM 0 H GLY A 63 2.597 10.258 -0.472 1.00 70.24 H new ATOM 0 HA2 GLY A 63 3.339 12.439 -0.025 1.00 12.01 H new ATOM 0 HA3 GLY A 63 1.780 13.092 -0.488 1.00 12.01 H new ATOM 883 N LEU A 64 1.281 11.135 1.931 1.00 54.30 N ATOM 884 CA LEU A 64 0.821 11.005 3.309 1.00 50.23 C ATOM 885 C LEU A 64 1.995 11.054 4.282 1.00 1.01 C ATOM 886 O LEU A 64 3.094 11.480 3.924 1.00 53.42 O ATOM 887 CB LEU A 64 0.050 9.697 3.489 1.00 63.32 C ATOM 888 CG LEU A 64 -0.985 9.374 2.410 1.00 23.42 C ATOM 889 CD1 LEU A 64 -1.513 7.958 2.584 1.00 25.03 C ATOM 890 CD2 LEU A 64 -2.125 10.379 2.447 1.00 44.04 C ATOM 0 H LEU A 64 1.144 10.301 1.360 1.00 54.30 H new ATOM 0 HA LEU A 64 0.158 11.843 3.525 1.00 50.23 H new ATOM 0 HB2 LEU A 64 0.768 8.878 3.532 1.00 63.32 H new ATOM 0 HB3 LEU A 64 -0.457 9.727 4.453 1.00 63.32 H new ATOM 0 HG LEU A 64 -0.500 9.442 1.436 1.00 23.42 H new ATOM 0 HD11 LEU A 64 -2.248 7.746 1.808 1.00 25.03 H new ATOM 0 HD12 LEU A 64 -0.688 7.250 2.506 1.00 25.03 H new ATOM 0 HD13 LEU A 64 -1.982 7.862 3.563 1.00 25.03 H new ATOM 0 HD21 LEU A 64 -2.852 10.134 1.673 1.00 44.04 H new ATOM 0 HD22 LEU A 64 -2.609 10.344 3.423 1.00 44.04 H new ATOM 0 HD23 LEU A 64 -1.733 11.381 2.272 1.00 44.04 H new ATOM 901 N SER A 65 1.756 10.614 5.513 1.00 52.14 N ATOM 902 CA SER A 65 2.793 10.609 6.538 1.00 1.13 C ATOM 903 C SER A 65 2.364 9.774 7.741 1.00 41.21 C ATOM 904 O SER A 65 2.825 8.648 7.924 1.00 53.20 O ATOM 905 CB SER A 65 3.107 12.040 6.982 1.00 21.40 C ATOM 906 OG SER A 65 1.925 12.735 7.335 1.00 35.11 O ATOM 0 H SER A 65 0.853 10.256 5.825 1.00 52.14 H new ATOM 0 HA SER A 65 3.691 10.163 6.110 1.00 1.13 H new ATOM 0 HB2 SER A 65 3.788 12.019 7.833 1.00 21.40 H new ATOM 0 HB3 SER A 65 3.618 12.570 6.178 1.00 21.40 H new ATOM 0 HG SER A 65 2.153 13.646 7.617 1.00 35.11 H new ATOM 911 N ALA A 66 1.478 10.336 8.557 1.00 44.11 N ATOM 912 CA ALA A 66 0.985 9.643 9.741 1.00 50.02 C ATOM 913 C ALA A 66 0.072 8.484 9.358 1.00 75.22 C ATOM 914 O ALA A 66 -0.257 7.637 10.190 1.00 1.24 O ATOM 915 CB ALA A 66 0.252 10.616 10.654 1.00 72.11 C ATOM 0 H ALA A 66 1.087 11.268 8.420 1.00 44.11 H new ATOM 0 HA ALA A 66 1.842 9.234 10.276 1.00 50.02 H new ATOM 0 HB1 ALA A 66 -0.111 10.086 11.534 1.00 72.11 H new ATOM 0 HB2 ALA A 66 0.933 11.409 10.963 1.00 72.11 H new ATOM 0 HB3 ALA A 66 -0.592 11.051 10.119 1.00 72.11 H new ATOM 921 N VAL A 67 -0.337 8.451 8.094 1.00 43.11 N ATOM 922 CA VAL A 67 -1.213 7.394 7.601 1.00 14.23 C ATOM 923 C VAL A 67 -0.541 6.030 7.707 1.00 51.32 C ATOM 924 O VAL A 67 -1.200 4.994 7.612 1.00 4.52 O ATOM 925 CB VAL A 67 -1.620 7.641 6.137 1.00 44.52 C ATOM 926 CG1 VAL A 67 -2.462 6.486 5.614 1.00 41.31 C ATOM 927 CG2 VAL A 67 -2.369 8.959 6.006 1.00 70.53 C ATOM 0 H VAL A 67 -0.076 9.144 7.392 1.00 43.11 H new ATOM 0 HA VAL A 67 -2.106 7.405 8.226 1.00 14.23 H new ATOM 0 HB VAL A 67 -0.715 7.703 5.533 1.00 44.52 H new ATOM 0 HG11 VAL A 67 -2.740 6.679 4.578 1.00 41.31 H new ATOM 0 HG12 VAL A 67 -1.887 5.562 5.670 1.00 41.31 H new ATOM 0 HG13 VAL A 67 -3.363 6.389 6.220 1.00 41.31 H new ATOM 0 HG21 VAL A 67 -2.649 9.117 4.964 1.00 70.53 H new ATOM 0 HG22 VAL A 67 -3.267 8.930 6.622 1.00 70.53 H new ATOM 0 HG23 VAL A 67 -1.728 9.776 6.337 1.00 70.53 H new ATOM 937 N ALA A 68 0.773 6.037 7.906 1.00 73.13 N ATOM 938 CA ALA A 68 1.533 4.799 8.029 1.00 5.44 C ATOM 939 C ALA A 68 0.738 3.739 8.784 1.00 24.12 C ATOM 940 O ALA A 68 0.596 3.810 10.004 1.00 74.34 O ATOM 941 CB ALA A 68 2.861 5.063 8.724 1.00 41.23 C ATOM 0 H ALA A 68 1.333 6.886 7.985 1.00 73.13 H new ATOM 0 HA ALA A 68 1.730 4.420 7.026 1.00 5.44 H new ATOM 0 HB1 ALA A 68 3.419 4.130 8.809 1.00 41.23 H new ATOM 0 HB2 ALA A 68 3.440 5.780 8.142 1.00 41.23 H new ATOM 0 HB3 ALA A 68 2.677 5.468 9.719 1.00 41.23 H new ATOM 947 N MET A 69 0.224 2.758 8.050 1.00 30.34 N ATOM 948 CA MET A 69 -0.556 1.683 8.652 1.00 21.32 C ATOM 949 C MET A 69 -1.818 2.230 9.311 1.00 62.42 C ATOM 950 O MET A 69 -1.870 2.453 10.520 1.00 71.30 O ATOM 951 CB MET A 69 0.287 0.929 9.684 1.00 51.20 C ATOM 952 CG MET A 69 1.736 0.744 9.266 1.00 22.33 C ATOM 953 SD MET A 69 2.446 -0.794 9.886 1.00 72.51 S ATOM 954 CE MET A 69 1.365 -1.999 9.120 1.00 54.23 C ATOM 0 H MET A 69 0.333 2.685 7.038 1.00 30.34 H new ATOM 0 HA MET A 69 -0.851 0.994 7.860 1.00 21.32 H new ATOM 0 HB2 MET A 69 0.256 1.469 10.630 1.00 51.20 H new ATOM 0 HB3 MET A 69 -0.159 -0.050 9.861 1.00 51.20 H new ATOM 0 HG2 MET A 69 1.801 0.757 8.178 1.00 22.33 H new ATOM 0 HG3 MET A 69 2.326 1.585 9.631 1.00 22.33 H new ATOM 0 HE1 MET A 69 1.922 -2.915 8.925 1.00 54.23 H new ATOM 0 HE2 MET A 69 0.531 -2.216 9.788 1.00 54.23 H new ATOM 0 HE3 MET A 69 0.983 -1.600 8.180 1.00 54.23 H new ATOM 962 N PRO A 70 -2.862 2.451 8.497 1.00 32.14 N ATOM 963 CA PRO A 70 -4.144 2.973 8.980 1.00 3.50 C ATOM 964 C PRO A 70 -4.899 1.961 9.834 1.00 34.01 C ATOM 965 O PRO A 70 -5.755 2.327 10.639 1.00 52.34 O ATOM 966 CB PRO A 70 -4.915 3.266 7.690 1.00 52.32 C ATOM 967 CG PRO A 70 -4.322 2.348 6.678 1.00 53.32 C ATOM 968 CD PRO A 70 -2.872 2.207 7.046 1.00 4.44 C ATOM 0 HA PRO A 70 -4.013 3.844 9.623 1.00 3.50 H new ATOM 0 HB2 PRO A 70 -5.982 3.081 7.816 1.00 52.32 H new ATOM 0 HB3 PRO A 70 -4.805 4.309 7.391 1.00 52.32 H new ATOM 0 HG2 PRO A 70 -4.823 1.380 6.688 1.00 53.32 H new ATOM 0 HG3 PRO A 70 -4.432 2.753 5.672 1.00 53.32 H new ATOM 0 HD2 PRO A 70 -2.491 1.215 6.803 1.00 4.44 H new ATOM 0 HD3 PRO A 70 -2.251 2.927 6.513 1.00 4.44 H new ATOM 973 N THR A 71 -4.575 0.685 9.655 1.00 22.51 N ATOM 974 CA THR A 71 -5.223 -0.382 10.409 1.00 23.22 C ATOM 975 C THR A 71 -4.612 -1.739 10.079 1.00 1.12 C ATOM 976 O THR A 71 -3.804 -1.859 9.158 1.00 52.13 O ATOM 977 CB THR A 71 -6.736 -0.431 10.125 1.00 2.40 C ATOM 978 OG1 THR A 71 -7.359 -1.416 10.956 1.00 33.14 O ATOM 979 CG2 THR A 71 -7.003 -0.752 8.662 1.00 24.21 C ATOM 0 H THR A 71 -3.867 0.364 8.994 1.00 22.51 H new ATOM 0 HA THR A 71 -5.065 -0.163 11.465 1.00 23.22 H new ATOM 0 HB THR A 71 -7.156 0.550 10.347 1.00 2.40 H new ATOM 0 HG1 THR A 71 -8.321 -1.440 10.770 1.00 33.14 H new ATOM 0 HG21 THR A 71 -8.078 -0.781 8.486 1.00 24.21 H new ATOM 0 HG22 THR A 71 -6.553 0.016 8.033 1.00 24.21 H new ATOM 0 HG23 THR A 71 -6.569 -1.721 8.417 1.00 24.21 H new ATOM 987 N ASN A 72 -5.002 -2.759 10.837 1.00 42.51 N ATOM 988 CA ASN A 72 -4.492 -4.108 10.624 1.00 24.45 C ATOM 989 C ASN A 72 -4.585 -4.499 9.152 1.00 23.02 C ATOM 990 O ASN A 72 -5.572 -4.198 8.480 1.00 60.42 O ATOM 991 CB ASN A 72 -5.268 -5.110 11.480 1.00 73.15 C ATOM 992 CG ASN A 72 -4.391 -6.237 11.990 1.00 52.11 C ATOM 993 OD1 ASN A 72 -3.279 -6.005 12.465 1.00 73.22 O ATOM 994 ND2 ASN A 72 -4.889 -7.464 11.894 1.00 12.03 N ATOM 0 H ASN A 72 -5.669 -2.677 11.604 1.00 42.51 H new ATOM 0 HA ASN A 72 -3.443 -4.124 10.920 1.00 24.45 H new ATOM 0 HB2 ASN A 72 -5.716 -4.590 12.327 1.00 73.15 H new ATOM 0 HB3 ASN A 72 -6.087 -5.527 10.894 1.00 73.15 H new ATOM 0 HD21 ASN A 72 -4.345 -8.262 12.221 1.00 12.03 H new ATOM 0 HD22 ASN A 72 -5.816 -7.608 11.493 1.00 12.03 H new ATOM 1000 N PHE A 73 -3.551 -5.172 8.657 1.00 20.11 N ATOM 1001 CA PHE A 73 -3.516 -5.604 7.266 1.00 64.41 C ATOM 1002 C PHE A 73 -3.424 -7.125 7.171 1.00 63.22 C ATOM 1003 O PHE A 73 -3.743 -7.714 6.138 1.00 45.41 O ATOM 1004 CB PHE A 73 -2.330 -4.965 6.540 1.00 52.22 C ATOM 1005 CG PHE A 73 -2.573 -3.538 6.141 1.00 3.35 C ATOM 1006 CD1 PHE A 73 -3.609 -3.211 5.280 1.00 30.25 C ATOM 1007 CD2 PHE A 73 -1.764 -2.522 6.625 1.00 62.21 C ATOM 1008 CE1 PHE A 73 -3.832 -1.897 4.911 1.00 65.42 C ATOM 1009 CE2 PHE A 73 -1.983 -1.207 6.259 1.00 24.10 C ATOM 1010 CZ PHE A 73 -3.019 -0.895 5.401 1.00 21.21 C ATOM 0 H PHE A 73 -2.726 -5.430 9.199 1.00 20.11 H new ATOM 0 HA PHE A 73 -4.442 -5.282 6.789 1.00 64.41 H new ATOM 0 HB2 PHE A 73 -1.452 -5.010 7.185 1.00 52.22 H new ATOM 0 HB3 PHE A 73 -2.101 -5.550 5.649 1.00 52.22 H new ATOM 0 HD1 PHE A 73 -4.249 -3.991 4.893 1.00 30.25 H new ATOM 0 HD2 PHE A 73 -0.952 -2.761 7.296 1.00 62.21 H new ATOM 0 HE1 PHE A 73 -4.642 -1.655 4.239 1.00 65.42 H new ATOM 0 HE2 PHE A 73 -1.345 -0.425 6.643 1.00 24.10 H new ATOM 0 HZ PHE A 73 -3.193 0.131 5.114 1.00 21.21 H new ATOM 1019 N ALA A 74 -2.986 -7.754 8.256 1.00 61.15 N ATOM 1020 CA ALA A 74 -2.853 -9.205 8.297 1.00 23.21 C ATOM 1021 C ALA A 74 -4.162 -9.888 7.913 1.00 53.50 C ATOM 1022 O ALA A 74 -4.177 -11.061 7.540 1.00 51.30 O ATOM 1023 CB ALA A 74 -2.406 -9.656 9.679 1.00 2.13 C ATOM 0 H ALA A 74 -2.717 -7.281 9.119 1.00 61.15 H new ATOM 0 HA ALA A 74 -2.095 -9.496 7.570 1.00 23.21 H new ATOM 0 HB1 ALA A 74 -2.311 -10.742 9.694 1.00 2.13 H new ATOM 0 HB2 ALA A 74 -1.443 -9.204 9.915 1.00 2.13 H new ATOM 0 HB3 ALA A 74 -3.144 -9.346 10.419 1.00 2.13 H new ATOM 1029 N THR A 75 -5.261 -9.144 8.008 1.00 22.20 N ATOM 1030 CA THR A 75 -6.575 -9.678 7.673 1.00 43.40 C ATOM 1031 C THR A 75 -7.253 -8.835 6.598 1.00 72.44 C ATOM 1032 O THR A 75 -8.440 -9.004 6.322 1.00 51.51 O ATOM 1033 CB THR A 75 -7.489 -9.741 8.912 1.00 4.22 C ATOM 1034 OG1 THR A 75 -8.770 -10.266 8.550 1.00 65.35 O ATOM 1035 CG2 THR A 75 -7.657 -8.362 9.530 1.00 3.30 C ATOM 0 H THR A 75 -5.266 -8.171 8.314 1.00 22.20 H new ATOM 0 HA THR A 75 -6.418 -10.688 7.295 1.00 43.40 H new ATOM 0 HB THR A 75 -7.023 -10.397 9.647 1.00 4.22 H new ATOM 0 HG1 THR A 75 -9.115 -9.780 7.772 1.00 65.35 H new ATOM 0 HG21 THR A 75 -8.306 -8.431 10.403 1.00 3.30 H new ATOM 0 HG22 THR A 75 -6.683 -7.977 9.832 1.00 3.30 H new ATOM 0 HG23 THR A 75 -8.103 -7.688 8.799 1.00 3.30 H new ATOM 1043 N ALA A 76 -6.490 -7.930 5.995 1.00 41.45 N ATOM 1044 CA ALA A 76 -7.017 -7.063 4.948 1.00 43.14 C ATOM 1045 C ALA A 76 -6.490 -7.473 3.577 1.00 21.40 C ATOM 1046 O ALA A 76 -5.635 -8.353 3.468 1.00 3.32 O ATOM 1047 CB ALA A 76 -6.666 -5.612 5.238 1.00 51.22 C ATOM 0 H ALA A 76 -5.505 -7.778 6.213 1.00 41.45 H new ATOM 0 HA ALA A 76 -8.102 -7.168 4.937 1.00 43.14 H new ATOM 0 HB1 ALA A 76 -7.066 -4.976 4.448 1.00 51.22 H new ATOM 0 HB2 ALA A 76 -7.098 -5.317 6.194 1.00 51.22 H new ATOM 0 HB3 ALA A 76 -5.582 -5.501 5.280 1.00 51.22 H new ATOM 1053 N THR A 77 -7.005 -6.831 2.533 1.00 23.43 N ATOM 1054 CA THR A 77 -6.585 -7.132 1.170 1.00 41.33 C ATOM 1055 C THR A 77 -6.073 -5.881 0.464 1.00 53.03 C ATOM 1056 O THR A 77 -6.227 -4.767 0.965 1.00 2.05 O ATOM 1057 CB THR A 77 -7.741 -7.734 0.348 1.00 24.42 C ATOM 1058 OG1 THR A 77 -8.959 -7.036 0.629 1.00 45.31 O ATOM 1059 CG2 THR A 77 -7.914 -9.213 0.661 1.00 11.42 C ATOM 0 H THR A 77 -7.713 -6.100 2.605 1.00 23.43 H new ATOM 0 HA THR A 77 -5.779 -7.862 1.240 1.00 41.33 H new ATOM 0 HB THR A 77 -7.499 -7.628 -0.709 1.00 24.42 H new ATOM 0 HG1 THR A 77 -9.688 -7.424 0.101 1.00 45.31 H new ATOM 0 HG21 THR A 77 -8.736 -9.616 0.069 1.00 11.42 H new ATOM 0 HG22 THR A 77 -6.995 -9.746 0.417 1.00 11.42 H new ATOM 0 HG23 THR A 77 -8.135 -9.337 1.721 1.00 11.42 H new ATOM 1067 N VAL A 78 -5.465 -6.073 -0.702 1.00 1.44 N ATOM 1068 CA VAL A 78 -4.931 -4.959 -1.477 1.00 42.21 C ATOM 1069 C VAL A 78 -5.988 -3.882 -1.692 1.00 55.11 C ATOM 1070 O VAL A 78 -5.687 -2.689 -1.674 1.00 4.23 O ATOM 1071 CB VAL A 78 -4.408 -5.429 -2.847 1.00 42.13 C ATOM 1072 CG1 VAL A 78 -3.262 -6.415 -2.672 1.00 55.25 C ATOM 1073 CG2 VAL A 78 -5.533 -6.047 -3.664 1.00 22.33 C ATOM 0 H VAL A 78 -5.330 -6.989 -1.131 1.00 1.44 H new ATOM 0 HA VAL A 78 -4.103 -4.542 -0.903 1.00 42.21 H new ATOM 0 HB VAL A 78 -4.030 -4.562 -3.389 1.00 42.13 H new ATOM 0 HG11 VAL A 78 -2.906 -6.736 -3.651 1.00 55.25 H new ATOM 0 HG12 VAL A 78 -2.448 -5.934 -2.129 1.00 55.25 H new ATOM 0 HG13 VAL A 78 -3.610 -7.282 -2.111 1.00 55.25 H new ATOM 0 HG21 VAL A 78 -5.145 -6.373 -4.629 1.00 22.33 H new ATOM 0 HG22 VAL A 78 -5.943 -6.904 -3.129 1.00 22.33 H new ATOM 0 HG23 VAL A 78 -6.318 -5.307 -3.820 1.00 22.33 H new ATOM 1083 N ARG A 79 -7.230 -4.311 -1.894 1.00 1.02 N ATOM 1084 CA ARG A 79 -8.333 -3.383 -2.113 1.00 63.33 C ATOM 1085 C ARG A 79 -8.578 -2.527 -0.874 1.00 0.04 C ATOM 1086 O ARG A 79 -8.869 -1.336 -0.979 1.00 62.31 O ATOM 1087 CB ARG A 79 -9.607 -4.149 -2.476 1.00 74.31 C ATOM 1088 CG ARG A 79 -10.628 -3.311 -3.228 1.00 13.54 C ATOM 1089 CD ARG A 79 -10.122 -2.923 -4.608 1.00 44.43 C ATOM 1090 NE ARG A 79 -10.856 -3.604 -5.672 1.00 21.34 N ATOM 1091 CZ ARG A 79 -10.860 -3.201 -6.937 1.00 1.32 C ATOM 1092 NH1 ARG A 79 -10.172 -2.125 -7.295 1.00 30.12 N ATOM 1093 NH2 ARG A 79 -11.552 -3.873 -7.847 1.00 70.51 N ATOM 0 H ARG A 79 -7.497 -5.295 -1.910 1.00 1.02 H new ATOM 0 HA ARG A 79 -8.063 -2.726 -2.940 1.00 63.33 H new ATOM 0 HB2 ARG A 79 -9.340 -5.013 -3.084 1.00 74.31 H new ATOM 0 HB3 ARG A 79 -10.064 -4.530 -1.563 1.00 74.31 H new ATOM 0 HG2 ARG A 79 -11.559 -3.870 -3.324 1.00 13.54 H new ATOM 0 HG3 ARG A 79 -10.854 -2.411 -2.656 1.00 13.54 H new ATOM 0 HD2 ARG A 79 -10.213 -1.845 -4.738 1.00 44.43 H new ATOM 0 HD3 ARG A 79 -9.062 -3.165 -4.687 1.00 44.43 H new ATOM 0 HE ARG A 79 -11.395 -4.435 -5.430 1.00 21.34 H new ATOM 0 HH11 ARG A 79 -9.639 -1.606 -6.598 1.00 30.12 H new ATOM 0 HH12 ARG A 79 -10.176 -1.817 -8.267 1.00 30.12 H new ATOM 0 HH21 ARG A 79 -12.082 -4.701 -7.576 1.00 70.51 H new ATOM 0 HH22 ARG A 79 -11.554 -3.562 -8.818 1.00 70.51 H new ATOM 1104 N GLU A 80 -8.456 -3.143 0.299 1.00 42.11 N ATOM 1105 CA GLU A 80 -8.665 -2.436 1.557 1.00 45.04 C ATOM 1106 C GLU A 80 -7.559 -1.413 1.796 1.00 1.24 C ATOM 1107 O GLU A 80 -7.828 -0.258 2.125 1.00 33.10 O ATOM 1108 CB GLU A 80 -8.719 -3.428 2.721 1.00 4.31 C ATOM 1109 CG GLU A 80 -10.068 -4.107 2.880 1.00 60.04 C ATOM 1110 CD GLU A 80 -10.290 -4.645 4.280 1.00 32.04 C ATOM 1111 OE1 GLU A 80 -9.934 -3.940 5.249 1.00 11.40 O ATOM 1112 OE2 GLU A 80 -10.817 -5.769 4.409 1.00 3.31 O ATOM 0 H GLU A 80 -8.214 -4.128 0.403 1.00 42.11 H new ATOM 0 HA GLU A 80 -9.616 -1.908 1.495 1.00 45.04 H new ATOM 0 HB2 GLU A 80 -7.953 -4.190 2.574 1.00 4.31 H new ATOM 0 HB3 GLU A 80 -8.474 -2.904 3.645 1.00 4.31 H new ATOM 0 HG2 GLU A 80 -10.859 -3.397 2.638 1.00 60.04 H new ATOM 0 HG3 GLU A 80 -10.145 -4.925 2.164 1.00 60.04 H new ATOM 1117 N MET A 81 -6.313 -1.847 1.630 1.00 42.12 N ATOM 1118 CA MET A 81 -5.166 -0.969 1.828 1.00 0.02 C ATOM 1119 C MET A 81 -5.186 0.185 0.830 1.00 62.22 C ATOM 1120 O MET A 81 -4.931 1.334 1.190 1.00 64.31 O ATOM 1121 CB MET A 81 -3.863 -1.757 1.687 1.00 43.12 C ATOM 1122 CG MET A 81 -2.615 -0.904 1.846 1.00 50.15 C ATOM 1123 SD MET A 81 -1.125 -1.736 1.266 1.00 71.14 S ATOM 1124 CE MET A 81 -0.796 -2.838 2.640 1.00 41.54 C ATOM 0 H MET A 81 -6.073 -2.801 1.359 1.00 42.12 H new ATOM 0 HA MET A 81 -5.226 -0.557 2.835 1.00 0.02 H new ATOM 0 HB2 MET A 81 -3.847 -2.552 2.432 1.00 43.12 H new ATOM 0 HB3 MET A 81 -3.843 -2.237 0.709 1.00 43.12 H new ATOM 0 HG2 MET A 81 -2.744 0.027 1.295 1.00 50.15 H new ATOM 0 HG3 MET A 81 -2.493 -0.639 2.896 1.00 50.15 H new ATOM 0 HE1 MET A 81 0.277 -3.012 2.718 1.00 41.54 H new ATOM 0 HE2 MET A 81 -1.158 -2.386 3.563 1.00 41.54 H new ATOM 0 HE3 MET A 81 -1.307 -3.787 2.476 1.00 41.54 H new ATOM 1132 N ALA A 82 -5.491 -0.130 -0.426 1.00 12.24 N ATOM 1133 CA ALA A 82 -5.545 0.881 -1.475 1.00 13.10 C ATOM 1134 C ALA A 82 -6.725 1.824 -1.267 1.00 14.45 C ATOM 1135 O ALA A 82 -6.590 3.040 -1.405 1.00 1.14 O ATOM 1136 CB ALA A 82 -5.631 0.219 -2.842 1.00 75.53 C ATOM 0 H ALA A 82 -5.704 -1.077 -0.741 1.00 12.24 H new ATOM 0 HA ALA A 82 -4.629 1.470 -1.426 1.00 13.10 H new ATOM 0 HB1 ALA A 82 -5.671 0.986 -3.616 1.00 75.53 H new ATOM 0 HB2 ALA A 82 -4.754 -0.409 -2.998 1.00 75.53 H new ATOM 0 HB3 ALA A 82 -6.530 -0.395 -2.893 1.00 75.53 H new ATOM 1142 N GLU A 83 -7.880 1.257 -0.934 1.00 14.30 N ATOM 1143 CA GLU A 83 -9.083 2.049 -0.709 1.00 13.13 C ATOM 1144 C GLU A 83 -8.872 3.049 0.425 1.00 70.21 C ATOM 1145 O GLU A 83 -9.310 4.196 0.346 1.00 64.10 O ATOM 1146 CB GLU A 83 -10.268 1.138 -0.386 1.00 71.55 C ATOM 1147 CG GLU A 83 -10.953 0.569 -1.617 1.00 23.22 C ATOM 1148 CD GLU A 83 -11.873 1.570 -2.287 1.00 40.22 C ATOM 1149 OE1 GLU A 83 -11.513 2.765 -2.338 1.00 51.11 O ATOM 1150 OE2 GLU A 83 -12.954 1.159 -2.761 1.00 4.44 O ATOM 0 H GLU A 83 -8.008 0.252 -0.814 1.00 14.30 H new ATOM 0 HA GLU A 83 -9.299 2.602 -1.623 1.00 13.13 H new ATOM 0 HB2 GLU A 83 -9.923 0.315 0.240 1.00 71.55 H new ATOM 0 HB3 GLU A 83 -10.997 1.699 0.199 1.00 71.55 H new ATOM 0 HG2 GLU A 83 -10.197 0.242 -2.331 1.00 23.22 H new ATOM 0 HG3 GLU A 83 -11.527 -0.313 -1.334 1.00 23.22 H new ATOM 1155 N ALA A 84 -8.199 2.604 1.480 1.00 33.43 N ATOM 1156 CA ALA A 84 -7.927 3.458 2.630 1.00 73.13 C ATOM 1157 C ALA A 84 -7.102 4.674 2.228 1.00 1.52 C ATOM 1158 O ALA A 84 -7.430 5.807 2.587 1.00 42.14 O ATOM 1159 CB ALA A 84 -7.212 2.669 3.717 1.00 51.44 C ATOM 0 H ALA A 84 -7.832 1.656 1.563 1.00 33.43 H new ATOM 0 HA ALA A 84 -8.881 3.812 3.021 1.00 73.13 H new ATOM 0 HB1 ALA A 84 -7.015 3.320 4.569 1.00 51.44 H new ATOM 0 HB2 ALA A 84 -7.839 1.835 4.034 1.00 51.44 H new ATOM 0 HB3 ALA A 84 -6.269 2.286 3.328 1.00 51.44 H new ATOM 1165 N LEU A 85 -6.030 4.436 1.480 1.00 74.23 N ATOM 1166 CA LEU A 85 -5.157 5.513 1.028 1.00 15.44 C ATOM 1167 C LEU A 85 -5.834 6.345 -0.056 1.00 54.10 C ATOM 1168 O LEU A 85 -5.601 7.548 -0.165 1.00 55.52 O ATOM 1169 CB LEU A 85 -3.840 4.942 0.501 1.00 52.23 C ATOM 1170 CG LEU A 85 -3.064 4.045 1.465 1.00 21.24 C ATOM 1171 CD1 LEU A 85 -1.925 3.343 0.741 1.00 34.41 C ATOM 1172 CD2 LEU A 85 -2.533 4.856 2.638 1.00 73.14 C ATOM 0 H LEU A 85 -5.745 3.506 1.174 1.00 74.23 H new ATOM 0 HA LEU A 85 -4.950 6.160 1.880 1.00 15.44 H new ATOM 0 HB2 LEU A 85 -4.051 4.372 -0.404 1.00 52.23 H new ATOM 0 HB3 LEU A 85 -3.197 5.773 0.212 1.00 52.23 H new ATOM 0 HG LEU A 85 -3.744 3.286 1.852 1.00 21.24 H new ATOM 0 HD11 LEU A 85 -1.384 2.709 1.443 1.00 34.41 H new ATOM 0 HD12 LEU A 85 -2.329 2.730 -0.065 1.00 34.41 H new ATOM 0 HD13 LEU A 85 -1.245 4.087 0.325 1.00 34.41 H new ATOM 0 HD21 LEU A 85 -1.983 4.201 3.314 1.00 73.14 H new ATOM 0 HD22 LEU A 85 -1.868 5.637 2.269 1.00 73.14 H new ATOM 0 HD23 LEU A 85 -3.367 5.312 3.172 1.00 73.14 H new ATOM 1183 N GLU A 86 -6.674 5.695 -0.855 1.00 55.02 N ATOM 1184 CA GLU A 86 -7.387 6.376 -1.931 1.00 35.55 C ATOM 1185 C GLU A 86 -8.282 7.481 -1.375 1.00 63.54 C ATOM 1186 O GLU A 86 -8.286 8.602 -1.881 1.00 13.41 O ATOM 1187 CB GLU A 86 -8.227 5.377 -2.728 1.00 24.21 C ATOM 1188 CG GLU A 86 -8.574 5.855 -4.128 1.00 0.40 C ATOM 1189 CD GLU A 86 -8.336 7.341 -4.312 1.00 3.42 C ATOM 1190 OE1 GLU A 86 -7.179 7.727 -4.584 1.00 33.51 O ATOM 1191 OE2 GLU A 86 -9.305 8.119 -4.185 1.00 25.30 O ATOM 0 H GLU A 86 -6.878 4.699 -0.778 1.00 55.02 H new ATOM 0 HA GLU A 86 -6.649 6.828 -2.593 1.00 35.55 H new ATOM 0 HB2 GLU A 86 -7.685 4.434 -2.799 1.00 24.21 H new ATOM 0 HB3 GLU A 86 -9.149 5.174 -2.183 1.00 24.21 H new ATOM 0 HG2 GLU A 86 -7.978 5.303 -4.855 1.00 0.40 H new ATOM 0 HG3 GLU A 86 -9.620 5.630 -4.336 1.00 0.40 H new ATOM 1196 N ALA A 87 -9.039 7.153 -0.334 1.00 41.32 N ATOM 1197 CA ALA A 87 -9.937 8.117 0.290 1.00 32.22 C ATOM 1198 C ALA A 87 -9.173 9.344 0.777 1.00 73.14 C ATOM 1199 O ALA A 87 -9.641 10.474 0.635 1.00 40.33 O ATOM 1200 CB ALA A 87 -10.688 7.468 1.444 1.00 11.01 C ATOM 0 H ALA A 87 -9.049 6.228 0.095 1.00 41.32 H new ATOM 0 HA ALA A 87 -10.657 8.444 -0.460 1.00 32.22 H new ATOM 0 HB1 ALA A 87 -11.355 8.199 1.901 1.00 11.01 H new ATOM 0 HB2 ALA A 87 -11.272 6.627 1.071 1.00 11.01 H new ATOM 0 HB3 ALA A 87 -9.975 7.112 2.188 1.00 11.01 H new