USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 Set 1.1: A 71 LYS NZ :NH3+ 165:sc= 0.92 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.735 K(o=1.7,f=-3.7) USER MOD Single : A 22 MET CE :methyl -178:sc= -0.962 (180deg=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -74:sc= 1.1 USER MOD Single : A 34 THR OG1 : rot 87:sc= 0.799 USER MOD Single : A 36 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.23) USER MOD Single : A 44 TYR OH : rot -140:sc= -0.48 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.5) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.45 K(o=-1.4,f=-0.36) USER MOD Single : A 59 SER OG : rot -168:sc= 0.807 USER MOD Single : A 60 CYS SG : rot -10:sc= -2.28! USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.309 USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.897 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0.587 K(o=0.59,f=-0.0021) USER MOD Single : A 77 MET CE :methyl 166:sc= -0.835 (180deg=-1.48) USER MOD Single : A 79 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 4.101 14.630 7.090 1.00 13.00 N ATOM 242 CA ASP A 17 3.322 13.705 7.930 1.00 21.43 C ATOM 243 C ASP A 17 1.807 13.840 7.686 1.00 32.24 C ATOM 244 O ASP A 17 1.032 13.043 8.205 1.00 74.34 O ATOM 245 CB ASP A 17 3.684 13.871 9.431 1.00 40.41 C ATOM 246 CG ASP A 17 3.261 15.215 10.039 1.00 11.31 C ATOM 247 OD1 ASP A 17 3.957 16.227 9.812 1.00 2.40 O ATOM 248 OD2 ASP A 17 2.227 15.268 10.742 1.00 60.15 O ATOM 0 HA ASP A 17 3.595 12.691 7.637 1.00 21.43 H new ATOM 0 HB2 ASP A 17 3.215 13.066 9.997 1.00 40.41 H new ATOM 0 HB3 ASP A 17 4.762 13.756 9.547 1.00 40.41 H new ATOM 253 N GLY A 18 1.406 14.861 6.894 1.00 20.44 N ATOM 254 CA GLY A 18 0.053 14.948 6.348 1.00 54.24 C ATOM 255 C GLY A 18 -0.144 13.949 5.207 1.00 15.04 C ATOM 256 O GLY A 18 -1.153 13.236 5.165 1.00 13.25 O ATOM 0 H GLY A 18 2.013 15.635 6.624 1.00 20.44 H new ATOM 0 HA2 GLY A 18 -0.674 14.753 7.136 1.00 54.24 H new ATOM 0 HA3 GLY A 18 -0.133 15.959 5.986 1.00 54.24 H new ATOM 260 N VAL A 19 0.848 13.906 4.284 1.00 41.43 N ATOM 261 CA VAL A 19 0.915 12.903 3.197 1.00 62.22 C ATOM 262 C VAL A 19 0.955 11.483 3.795 1.00 51.55 C ATOM 263 O VAL A 19 0.165 10.622 3.423 1.00 31.44 O ATOM 264 CB VAL A 19 2.180 13.135 2.262 1.00 1.53 C ATOM 265 CG1 VAL A 19 2.393 11.967 1.262 1.00 71.00 C ATOM 266 CG2 VAL A 19 2.071 14.478 1.497 1.00 61.14 C ATOM 0 H VAL A 19 1.624 14.568 4.274 1.00 41.43 H new ATOM 0 HA VAL A 19 0.022 13.016 2.582 1.00 62.22 H new ATOM 0 HB VAL A 19 3.050 13.173 2.918 1.00 1.53 H new ATOM 0 HG11 VAL A 19 3.268 12.171 0.645 1.00 71.00 H new ATOM 0 HG12 VAL A 19 2.546 11.039 1.813 1.00 71.00 H new ATOM 0 HG13 VAL A 19 1.515 11.869 0.624 1.00 71.00 H new ATOM 0 HG21 VAL A 19 2.950 14.610 0.866 1.00 61.14 H new ATOM 0 HG22 VAL A 19 1.176 14.471 0.875 1.00 61.14 H new ATOM 0 HG23 VAL A 19 2.011 15.300 2.211 1.00 61.14 H new ATOM 276 N VAL A 20 1.861 11.298 4.759 1.00 13.21 N ATOM 277 CA VAL A 20 2.098 10.022 5.465 1.00 11.05 C ATOM 278 C VAL A 20 0.823 9.525 6.189 1.00 61.23 C ATOM 279 O VAL A 20 0.475 8.338 6.096 1.00 73.14 O ATOM 280 CB VAL A 20 3.310 10.209 6.465 1.00 3.13 C ATOM 281 CG1 VAL A 20 3.453 9.053 7.483 1.00 52.21 C ATOM 282 CG2 VAL A 20 4.631 10.408 5.667 1.00 74.33 C ATOM 0 H VAL A 20 2.470 12.049 5.084 1.00 13.21 H new ATOM 0 HA VAL A 20 2.353 9.250 4.739 1.00 11.05 H new ATOM 0 HB VAL A 20 3.098 11.101 7.054 1.00 3.13 H new ATOM 0 HG11 VAL A 20 4.303 9.247 8.137 1.00 52.21 H new ATOM 0 HG12 VAL A 20 2.545 8.980 8.081 1.00 52.21 H new ATOM 0 HG13 VAL A 20 3.612 8.116 6.949 1.00 52.21 H new ATOM 0 HG21 VAL A 20 5.460 10.536 6.362 1.00 74.33 H new ATOM 0 HG22 VAL A 20 4.813 9.534 5.042 1.00 74.33 H new ATOM 0 HG23 VAL A 20 4.546 11.293 5.037 1.00 74.33 H new ATOM 292 N ALA A 21 0.120 10.455 6.868 1.00 34.20 N ATOM 293 CA ALA A 21 -1.128 10.154 7.604 1.00 52.34 C ATOM 294 C ALA A 21 -2.260 9.722 6.663 1.00 24.31 C ATOM 295 O ALA A 21 -2.979 8.758 6.951 1.00 33.45 O ATOM 296 CB ALA A 21 -1.571 11.365 8.445 1.00 72.23 C ATOM 0 H ALA A 21 0.400 11.434 6.922 1.00 34.20 H new ATOM 0 HA ALA A 21 -0.913 9.318 8.270 1.00 52.34 H new ATOM 0 HB1 ALA A 21 -2.490 11.121 8.978 1.00 72.23 H new ATOM 0 HB2 ALA A 21 -0.790 11.614 9.164 1.00 72.23 H new ATOM 0 HB3 ALA A 21 -1.746 12.218 7.790 1.00 72.23 H new ATOM 302 N MET A 22 -2.410 10.437 5.529 1.00 41.14 N ATOM 303 CA MET A 22 -3.489 10.149 4.569 1.00 70.43 C ATOM 304 C MET A 22 -3.187 8.866 3.764 1.00 32.20 C ATOM 305 O MET A 22 -4.119 8.228 3.276 1.00 72.11 O ATOM 306 CB MET A 22 -3.779 11.350 3.626 1.00 4.33 C ATOM 307 CG MET A 22 -2.699 11.663 2.588 1.00 22.31 C ATOM 308 SD MET A 22 -3.266 12.802 1.309 1.00 50.30 S ATOM 309 CE MET A 22 -4.556 11.849 0.504 1.00 71.10 C ATOM 0 H MET A 22 -1.802 11.211 5.260 1.00 41.14 H new ATOM 0 HA MET A 22 -4.395 9.981 5.151 1.00 70.43 H new ATOM 0 HB2 MET A 22 -4.715 11.157 3.101 1.00 4.33 H new ATOM 0 HB3 MET A 22 -3.935 12.238 4.238 1.00 4.33 H new ATOM 0 HG2 MET A 22 -1.832 12.091 3.091 1.00 22.31 H new ATOM 0 HG3 MET A 22 -2.370 10.734 2.121 1.00 22.31 H new ATOM 0 HE1 MET A 22 -4.966 12.421 -0.328 1.00 71.10 H new ATOM 0 HE2 MET A 22 -4.138 10.914 0.130 1.00 71.10 H new ATOM 0 HE3 MET A 22 -5.349 11.632 1.220 1.00 71.10 H new ATOM 319 N ILE A 23 -1.883 8.496 3.635 1.00 72.45 N ATOM 320 CA ILE A 23 -1.481 7.192 3.066 1.00 22.12 C ATOM 321 C ILE A 23 -1.991 6.071 3.987 1.00 31.20 C ATOM 322 O ILE A 23 -2.663 5.154 3.513 1.00 33.22 O ATOM 323 CB ILE A 23 0.087 7.051 2.855 1.00 30.41 C ATOM 324 CG1 ILE A 23 0.610 8.025 1.749 1.00 13.11 C ATOM 325 CG2 ILE A 23 0.484 5.591 2.506 1.00 35.14 C ATOM 326 CD1 ILE A 23 2.127 8.038 1.555 1.00 5.10 C ATOM 0 H ILE A 23 -1.100 9.085 3.918 1.00 72.45 H new ATOM 0 HA ILE A 23 -1.928 7.117 2.075 1.00 22.12 H new ATOM 0 HB ILE A 23 0.557 7.322 3.801 1.00 30.41 H new ATOM 0 HG12 ILE A 23 0.141 7.758 0.802 1.00 13.11 H new ATOM 0 HG13 ILE A 23 0.283 9.036 1.993 1.00 13.11 H new ATOM 0 HG21 ILE A 23 1.564 5.531 2.368 1.00 35.14 H new ATOM 0 HG22 ILE A 23 0.184 4.928 3.318 1.00 35.14 H new ATOM 0 HG23 ILE A 23 -0.017 5.288 1.586 1.00 35.14 H new ATOM 0 HD11 ILE A 23 2.387 8.745 0.767 1.00 5.10 H new ATOM 0 HD12 ILE A 23 2.610 8.338 2.485 1.00 5.10 H new ATOM 0 HD13 ILE A 23 2.467 7.041 1.275 1.00 5.10 H new ATOM 338 N LYS A 24 -1.690 6.191 5.308 1.00 73.14 N ATOM 339 CA LYS A 24 -2.137 5.223 6.344 1.00 11.43 C ATOM 340 C LYS A 24 -3.661 4.999 6.279 1.00 10.41 C ATOM 341 O LYS A 24 -4.122 3.864 6.394 1.00 62.02 O ATOM 342 CB LYS A 24 -1.761 5.722 7.764 1.00 52.35 C ATOM 343 CG LYS A 24 -0.250 5.846 8.036 1.00 34.32 C ATOM 344 CD LYS A 24 0.036 6.458 9.427 1.00 51.41 C ATOM 345 CE LYS A 24 1.531 6.633 9.712 1.00 1.13 C ATOM 346 NZ LYS A 24 1.772 7.291 11.023 1.00 31.44 N ATOM 0 H LYS A 24 -1.133 6.959 5.683 1.00 73.14 H new ATOM 0 HA LYS A 24 -1.629 4.280 6.143 1.00 11.43 H new ATOM 0 HB2 LYS A 24 -2.224 6.696 7.924 1.00 52.35 H new ATOM 0 HB3 LYS A 24 -2.191 5.040 8.497 1.00 52.35 H new ATOM 0 HG2 LYS A 24 0.213 4.861 7.970 1.00 34.32 H new ATOM 0 HG3 LYS A 24 0.208 6.466 7.265 1.00 34.32 H new ATOM 0 HD2 LYS A 24 -0.457 7.427 9.499 1.00 51.41 H new ATOM 0 HD3 LYS A 24 -0.402 5.820 10.195 1.00 51.41 H new ATOM 0 HE2 LYS A 24 2.019 5.659 9.700 1.00 1.13 H new ATOM 0 HE3 LYS A 24 1.985 7.227 8.919 1.00 1.13 H new ATOM 0 HZ1 LYS A 24 2.795 7.391 11.178 1.00 31.44 H new ATOM 0 HZ2 LYS A 24 1.328 8.231 11.026 1.00 31.44 H new ATOM 0 HZ3 LYS A 24 1.362 6.712 11.783 1.00 31.44 H new ATOM 360 N GLU A 25 -4.412 6.106 6.080 1.00 2.32 N ATOM 361 CA GLU A 25 -5.880 6.089 5.978 1.00 50.43 C ATOM 362 C GLU A 25 -6.332 5.313 4.726 1.00 4.12 C ATOM 363 O GLU A 25 -7.147 4.403 4.836 1.00 44.41 O ATOM 364 CB GLU A 25 -6.450 7.533 5.943 1.00 30.13 C ATOM 365 CG GLU A 25 -7.996 7.602 5.877 1.00 11.10 C ATOM 366 CD GLU A 25 -8.553 9.029 5.760 1.00 5.22 C ATOM 367 OE1 GLU A 25 -8.461 9.622 4.666 1.00 41.10 O ATOM 368 OE2 GLU A 25 -9.071 9.571 6.756 1.00 52.14 O ATOM 0 H GLU A 25 -4.010 7.039 5.986 1.00 2.32 H new ATOM 0 HA GLU A 25 -6.269 5.584 6.862 1.00 50.43 H new ATOM 0 HB2 GLU A 25 -6.111 8.067 6.830 1.00 30.13 H new ATOM 0 HB3 GLU A 25 -6.037 8.054 5.080 1.00 30.13 H new ATOM 0 HG2 GLU A 25 -8.339 7.018 5.023 1.00 11.10 H new ATOM 0 HG3 GLU A 25 -8.409 7.134 6.771 1.00 11.10 H new ATOM 375 N LEU A 26 -5.773 5.674 3.547 1.00 25.34 N ATOM 376 CA LEU A 26 -6.119 5.048 2.240 1.00 25.23 C ATOM 377 C LEU A 26 -5.852 3.528 2.256 1.00 11.25 C ATOM 378 O LEU A 26 -6.579 2.750 1.622 1.00 30.42 O ATOM 379 CB LEU A 26 -5.319 5.726 1.087 1.00 11.40 C ATOM 380 CG LEU A 26 -5.714 7.199 0.752 1.00 53.21 C ATOM 381 CD1 LEU A 26 -4.738 7.837 -0.253 1.00 32.44 C ATOM 382 CD2 LEU A 26 -7.170 7.284 0.247 1.00 32.12 C ATOM 0 H LEU A 26 -5.068 6.408 3.471 1.00 25.34 H new ATOM 0 HA LEU A 26 -7.185 5.198 2.068 1.00 25.23 H new ATOM 0 HB2 LEU A 26 -4.260 5.705 1.345 1.00 11.40 H new ATOM 0 HB3 LEU A 26 -5.440 5.125 0.186 1.00 11.40 H new ATOM 0 HG LEU A 26 -5.646 7.772 1.677 1.00 53.21 H new ATOM 0 HD11 LEU A 26 -5.047 8.861 -0.460 1.00 32.44 H new ATOM 0 HD12 LEU A 26 -3.732 7.839 0.168 1.00 32.44 H new ATOM 0 HD13 LEU A 26 -4.742 7.262 -1.179 1.00 32.44 H new ATOM 0 HD21 LEU A 26 -7.417 8.321 0.022 1.00 32.12 H new ATOM 0 HD22 LEU A 26 -7.278 6.681 -0.655 1.00 32.12 H new ATOM 0 HD23 LEU A 26 -7.845 6.909 1.017 1.00 32.12 H new ATOM 394 N LEU A 27 -4.805 3.125 2.992 1.00 31.42 N ATOM 395 CA LEU A 27 -4.485 1.715 3.227 1.00 53.34 C ATOM 396 C LEU A 27 -5.549 1.084 4.136 1.00 64.22 C ATOM 397 O LEU A 27 -6.213 0.135 3.749 1.00 55.44 O ATOM 398 CB LEU A 27 -3.085 1.577 3.877 1.00 1.14 C ATOM 399 CG LEU A 27 -1.889 2.113 3.036 1.00 2.11 C ATOM 400 CD1 LEU A 27 -0.588 2.101 3.853 1.00 32.31 C ATOM 401 CD2 LEU A 27 -1.734 1.331 1.715 1.00 73.44 C ATOM 0 H LEU A 27 -4.157 3.772 3.441 1.00 31.42 H new ATOM 0 HA LEU A 27 -4.476 1.195 2.269 1.00 53.34 H new ATOM 0 HB2 LEU A 27 -3.096 2.101 4.833 1.00 1.14 H new ATOM 0 HB3 LEU A 27 -2.909 0.523 4.094 1.00 1.14 H new ATOM 0 HG LEU A 27 -2.105 3.149 2.776 1.00 2.11 H new ATOM 0 HD11 LEU A 27 0.230 2.480 3.240 1.00 32.31 H new ATOM 0 HD12 LEU A 27 -0.705 2.733 4.733 1.00 32.31 H new ATOM 0 HD13 LEU A 27 -0.364 1.081 4.166 1.00 32.31 H new ATOM 0 HD21 LEU A 27 -0.890 1.731 1.152 1.00 73.44 H new ATOM 0 HD22 LEU A 27 -1.558 0.278 1.934 1.00 73.44 H new ATOM 0 HD23 LEU A 27 -2.644 1.431 1.124 1.00 73.44 H new ATOM 413 N ASP A 28 -5.742 1.682 5.320 1.00 2.32 N ATOM 414 CA ASP A 28 -6.522 1.083 6.426 1.00 20.33 C ATOM 415 C ASP A 28 -8.011 0.923 6.066 1.00 24.55 C ATOM 416 O ASP A 28 -8.656 -0.045 6.479 1.00 33.20 O ATOM 417 CB ASP A 28 -6.351 1.930 7.716 1.00 21.23 C ATOM 418 CG ASP A 28 -6.823 1.200 8.985 1.00 21.12 C ATOM 419 OD1 ASP A 28 -6.003 0.500 9.614 1.00 12.51 O ATOM 420 OD2 ASP A 28 -8.013 1.308 9.354 1.00 53.31 O ATOM 0 H ASP A 28 -5.361 2.601 5.544 1.00 2.32 H new ATOM 0 HA ASP A 28 -6.132 0.081 6.604 1.00 20.33 H new ATOM 0 HB2 ASP A 28 -5.301 2.201 7.829 1.00 21.23 H new ATOM 0 HB3 ASP A 28 -6.910 2.860 7.610 1.00 21.23 H new ATOM 425 N THR A 29 -8.529 1.870 5.275 1.00 30.14 N ATOM 426 CA THR A 29 -9.944 1.914 4.893 1.00 41.25 C ATOM 427 C THR A 29 -10.221 1.052 3.649 1.00 4.20 C ATOM 428 O THR A 29 -11.146 0.235 3.659 1.00 70.10 O ATOM 429 CB THR A 29 -10.413 3.387 4.647 1.00 24.34 C ATOM 430 OG1 THR A 29 -9.617 3.994 3.609 1.00 12.31 O ATOM 431 CG2 THR A 29 -10.312 4.233 5.933 1.00 60.53 C ATOM 0 H THR A 29 -7.975 2.630 4.881 1.00 30.14 H new ATOM 0 HA THR A 29 -10.516 1.501 5.724 1.00 41.25 H new ATOM 0 HB THR A 29 -11.458 3.355 4.338 1.00 24.34 H new ATOM 0 HG1 THR A 29 -8.728 4.208 3.961 1.00 12.31 H new ATOM 0 HG21 THR A 29 -10.645 5.250 5.727 1.00 60.53 H new ATOM 0 HG22 THR A 29 -10.942 3.795 6.707 1.00 60.53 H new ATOM 0 HG23 THR A 29 -9.277 4.253 6.275 1.00 60.53 H new ATOM 439 N ARG A 30 -9.409 1.225 2.585 1.00 31.31 N ATOM 440 CA ARG A 30 -9.636 0.545 1.296 1.00 32.03 C ATOM 441 C ARG A 30 -8.879 -0.790 1.226 1.00 41.55 C ATOM 442 O ARG A 30 -9.493 -1.855 1.098 1.00 65.24 O ATOM 443 CB ARG A 30 -9.198 1.447 0.113 1.00 22.45 C ATOM 444 CG ARG A 30 -9.842 2.853 0.074 1.00 3.02 C ATOM 445 CD ARG A 30 -9.547 3.602 -1.245 1.00 51.33 C ATOM 446 NE ARG A 30 -10.205 2.964 -2.413 1.00 31.41 N ATOM 447 CZ ARG A 30 -9.590 2.205 -3.353 1.00 71.13 C ATOM 448 NH1 ARG A 30 -8.282 1.966 -3.291 1.00 42.04 N ATOM 449 NH2 ARG A 30 -10.297 1.718 -4.351 1.00 33.51 N ATOM 0 H ARG A 30 -8.589 1.832 2.595 1.00 31.31 H new ATOM 0 HA ARG A 30 -10.705 0.345 1.221 1.00 32.03 H new ATOM 0 HB2 ARG A 30 -8.115 1.563 0.149 1.00 22.45 H new ATOM 0 HB3 ARG A 30 -9.432 0.933 -0.819 1.00 22.45 H new ATOM 0 HG2 ARG A 30 -10.920 2.759 0.201 1.00 3.02 H new ATOM 0 HG3 ARG A 30 -9.472 3.442 0.913 1.00 3.02 H new ATOM 0 HD2 ARG A 30 -9.887 4.634 -1.158 1.00 51.33 H new ATOM 0 HD3 ARG A 30 -8.470 3.634 -1.410 1.00 51.33 H new ATOM 0 HE ARG A 30 -11.209 3.110 -2.518 1.00 31.41 H new ATOM 0 HH11 ARG A 30 -7.728 2.356 -2.529 1.00 42.04 H new ATOM 0 HH12 ARG A 30 -7.834 1.393 -4.006 1.00 42.04 H new ATOM 0 HH21 ARG A 30 -11.296 1.913 -4.411 1.00 33.51 H new ATOM 0 HH22 ARG A 30 -9.845 1.146 -5.064 1.00 33.51 H new ATOM 463 N ILE A 31 -7.544 -0.716 1.367 1.00 31.23 N ATOM 464 CA ILE A 31 -6.632 -1.807 0.975 1.00 71.11 C ATOM 465 C ILE A 31 -6.658 -2.959 1.992 1.00 52.11 C ATOM 466 O ILE A 31 -7.022 -4.063 1.617 1.00 0.14 O ATOM 467 CB ILE A 31 -5.165 -1.283 0.768 1.00 63.33 C ATOM 468 CG1 ILE A 31 -5.133 -0.106 -0.258 1.00 73.12 C ATOM 469 CG2 ILE A 31 -4.208 -2.419 0.331 1.00 4.20 C ATOM 470 CD1 ILE A 31 -5.617 -0.440 -1.659 1.00 41.02 C ATOM 0 H ILE A 31 -7.067 0.098 1.754 1.00 31.23 H new ATOM 0 HA ILE A 31 -6.990 -2.195 0.021 1.00 71.11 H new ATOM 0 HB ILE A 31 -4.814 -0.910 1.730 1.00 63.33 H new ATOM 0 HG12 ILE A 31 -5.743 0.709 0.133 1.00 73.12 H new ATOM 0 HG13 ILE A 31 -4.110 0.265 -0.326 1.00 73.12 H new ATOM 0 HG21 ILE A 31 -3.203 -2.017 0.198 1.00 4.20 H new ATOM 0 HG22 ILE A 31 -4.190 -3.195 1.097 1.00 4.20 H new ATOM 0 HG23 ILE A 31 -4.556 -2.846 -0.610 1.00 4.20 H new ATOM 0 HD11 ILE A 31 -5.552 0.448 -2.288 1.00 41.02 H new ATOM 0 HD12 ILE A 31 -4.995 -1.229 -2.080 1.00 41.02 H new ATOM 0 HD13 ILE A 31 -6.652 -0.779 -1.615 1.00 41.02 H new ATOM 482 N ARG A 32 -6.294 -2.680 3.273 1.00 41.04 N ATOM 483 CA ARG A 32 -6.200 -3.703 4.351 1.00 14.12 C ATOM 484 C ARG A 32 -7.435 -4.656 4.373 1.00 32.32 C ATOM 485 O ARG A 32 -7.219 -5.860 4.296 1.00 63.41 O ATOM 486 CB ARG A 32 -5.976 -3.073 5.767 1.00 64.11 C ATOM 487 CG ARG A 32 -4.696 -2.226 5.913 1.00 74.01 C ATOM 488 CD ARG A 32 -4.410 -1.774 7.362 1.00 44.31 C ATOM 489 NE ARG A 32 -3.964 -2.887 8.225 1.00 55.33 N ATOM 490 CZ ARG A 32 -3.997 -2.896 9.571 1.00 74.50 C ATOM 491 NH1 ARG A 32 -4.441 -1.860 10.257 1.00 5.24 N ATOM 492 NH2 ARG A 32 -3.554 -3.954 10.224 1.00 20.44 N ATOM 0 H ARG A 32 -6.057 -1.739 3.587 1.00 41.04 H new ATOM 0 HA ARG A 32 -5.318 -4.296 4.110 1.00 14.12 H new ATOM 0 HB2 ARG A 32 -6.836 -2.448 6.009 1.00 64.11 H new ATOM 0 HB3 ARG A 32 -5.948 -3.876 6.504 1.00 64.11 H new ATOM 0 HG2 ARG A 32 -3.846 -2.803 5.548 1.00 74.01 H new ATOM 0 HG3 ARG A 32 -4.780 -1.345 5.277 1.00 74.01 H new ATOM 0 HD2 ARG A 32 -3.645 -0.997 7.352 1.00 44.31 H new ATOM 0 HD3 ARG A 32 -5.311 -1.329 7.785 1.00 44.31 H new ATOM 0 HE ARG A 32 -3.600 -3.720 7.762 1.00 55.33 H new ATOM 0 HH11 ARG A 32 -4.769 -1.027 9.768 1.00 5.24 H new ATOM 0 HH12 ARG A 32 -4.456 -1.892 11.276 1.00 5.24 H new ATOM 0 HH21 ARG A 32 -3.191 -4.756 9.709 1.00 20.44 H new ATOM 0 HH22 ARG A 32 -3.575 -3.970 11.244 1.00 20.44 H new ATOM 506 N PRO A 33 -8.742 -4.146 4.429 1.00 62.13 N ATOM 507 CA PRO A 33 -9.962 -5.016 4.350 1.00 63.33 C ATOM 508 C PRO A 33 -9.956 -5.975 3.128 1.00 62.33 C ATOM 509 O PRO A 33 -10.243 -7.162 3.278 1.00 23.52 O ATOM 510 CB PRO A 33 -11.128 -3.989 4.259 1.00 63.15 C ATOM 511 CG PRO A 33 -10.611 -2.777 4.965 1.00 14.10 C ATOM 512 CD PRO A 33 -9.148 -2.711 4.588 1.00 44.43 C ATOM 0 HA PRO A 33 -10.035 -5.688 5.205 1.00 63.33 H new ATOM 0 HB2 PRO A 33 -11.382 -3.767 3.223 1.00 63.15 H new ATOM 0 HB3 PRO A 33 -12.032 -4.371 4.734 1.00 63.15 H new ATOM 0 HG2 PRO A 33 -11.142 -1.879 4.651 1.00 14.10 H new ATOM 0 HG3 PRO A 33 -10.739 -2.862 6.044 1.00 14.10 H new ATOM 0 HD2 PRO A 33 -9.000 -2.151 3.665 1.00 44.43 H new ATOM 0 HD3 PRO A 33 -8.560 -2.214 5.360 1.00 44.43 H new ATOM 520 N THR A 34 -9.588 -5.434 1.942 1.00 22.53 N ATOM 521 CA THR A 34 -9.513 -6.191 0.666 1.00 43.34 C ATOM 522 C THR A 34 -8.497 -7.355 0.751 1.00 1.01 C ATOM 523 O THR A 34 -8.793 -8.492 0.368 1.00 72.23 O ATOM 524 CB THR A 34 -9.118 -5.228 -0.513 1.00 20.31 C ATOM 525 OG1 THR A 34 -10.036 -4.132 -0.562 1.00 72.41 O ATOM 526 CG2 THR A 34 -9.098 -5.929 -1.882 1.00 51.32 C ATOM 0 H THR A 34 -9.332 -4.452 1.842 1.00 22.53 H new ATOM 0 HA THR A 34 -10.499 -6.616 0.477 1.00 43.34 H new ATOM 0 HB THR A 34 -8.105 -4.880 -0.312 1.00 20.31 H new ATOM 0 HG1 THR A 34 -9.728 -3.420 0.037 1.00 72.41 H new ATOM 0 HG21 THR A 34 -8.819 -5.212 -2.654 1.00 51.32 H new ATOM 0 HG22 THR A 34 -8.373 -6.743 -1.863 1.00 51.32 H new ATOM 0 HG23 THR A 34 -10.088 -6.330 -2.100 1.00 51.32 H new ATOM 534 N VAL A 35 -7.302 -7.035 1.269 1.00 72.30 N ATOM 535 CA VAL A 35 -6.176 -7.988 1.388 1.00 22.53 C ATOM 536 C VAL A 35 -6.488 -9.070 2.447 1.00 51.41 C ATOM 537 O VAL A 35 -6.074 -10.227 2.317 1.00 13.44 O ATOM 538 CB VAL A 35 -4.835 -7.224 1.740 1.00 70.55 C ATOM 539 CG1 VAL A 35 -3.604 -8.139 1.619 1.00 34.14 C ATOM 540 CG2 VAL A 35 -4.650 -5.986 0.845 1.00 41.31 C ATOM 0 H VAL A 35 -7.083 -6.103 1.621 1.00 72.30 H new ATOM 0 HA VAL A 35 -6.042 -8.484 0.427 1.00 22.53 H new ATOM 0 HB VAL A 35 -4.921 -6.903 2.778 1.00 70.55 H new ATOM 0 HG11 VAL A 35 -2.705 -7.575 1.869 1.00 34.14 H new ATOM 0 HG12 VAL A 35 -3.707 -8.980 2.305 1.00 34.14 H new ATOM 0 HG13 VAL A 35 -3.526 -8.511 0.597 1.00 34.14 H new ATOM 0 HG21 VAL A 35 -3.721 -5.481 1.110 1.00 41.31 H new ATOM 0 HG22 VAL A 35 -4.611 -6.295 -0.200 1.00 41.31 H new ATOM 0 HG23 VAL A 35 -5.487 -5.304 0.990 1.00 41.31 H new ATOM 550 N GLN A 36 -7.265 -8.679 3.476 1.00 2.33 N ATOM 551 CA GLN A 36 -7.705 -9.583 4.557 1.00 74.43 C ATOM 552 C GLN A 36 -8.755 -10.592 4.059 1.00 55.43 C ATOM 553 O GLN A 36 -8.898 -11.670 4.652 1.00 65.40 O ATOM 554 CB GLN A 36 -8.244 -8.768 5.756 1.00 75.43 C ATOM 555 CG GLN A 36 -7.155 -7.979 6.521 1.00 65.41 C ATOM 556 CD GLN A 36 -7.717 -6.915 7.473 1.00 61.41 C ATOM 557 OE1 GLN A 36 -8.807 -7.071 8.021 1.00 51.13 O ATOM 558 NE2 GLN A 36 -6.993 -5.821 7.654 1.00 41.42 N ATOM 0 H GLN A 36 -7.606 -7.724 3.581 1.00 2.33 H new ATOM 0 HA GLN A 36 -6.839 -10.155 4.889 1.00 74.43 H new ATOM 0 HB2 GLN A 36 -9.000 -8.069 5.397 1.00 75.43 H new ATOM 0 HB3 GLN A 36 -8.741 -9.447 6.449 1.00 75.43 H new ATOM 0 HG2 GLN A 36 -6.546 -8.679 7.092 1.00 65.41 H new ATOM 0 HG3 GLN A 36 -6.495 -7.496 5.800 1.00 65.41 H new ATOM 0 HE21 GLN A 36 -6.093 -5.722 7.185 1.00 41.42 H new ATOM 0 HE22 GLN A 36 -7.336 -5.078 8.262 1.00 41.42 H new ATOM 567 N GLU A 37 -9.481 -10.252 2.968 1.00 22.12 N ATOM 568 CA GLU A 37 -10.400 -11.201 2.299 1.00 32.22 C ATOM 569 C GLU A 37 -9.596 -12.346 1.663 1.00 14.13 C ATOM 570 O GLU A 37 -10.036 -13.500 1.658 1.00 14.42 O ATOM 571 CB GLU A 37 -11.267 -10.493 1.216 1.00 53.44 C ATOM 572 CG GLU A 37 -12.116 -9.316 1.736 1.00 31.42 C ATOM 573 CD GLU A 37 -12.966 -9.690 2.966 1.00 60.15 C ATOM 574 OE1 GLU A 37 -13.956 -10.435 2.806 1.00 61.43 O ATOM 575 OE2 GLU A 37 -12.628 -9.266 4.098 1.00 0.50 O ATOM 0 H GLU A 37 -9.448 -9.330 2.534 1.00 22.12 H new ATOM 0 HA GLU A 37 -11.075 -11.604 3.054 1.00 32.22 H new ATOM 0 HB2 GLU A 37 -10.610 -10.128 0.426 1.00 53.44 H new ATOM 0 HB3 GLU A 37 -11.931 -11.230 0.763 1.00 53.44 H new ATOM 0 HG2 GLU A 37 -11.459 -8.486 1.993 1.00 31.42 H new ATOM 0 HG3 GLU A 37 -12.773 -8.967 0.939 1.00 31.42 H new ATOM 582 N ASP A 38 -8.410 -11.994 1.136 1.00 23.10 N ATOM 583 CA ASP A 38 -7.452 -12.956 0.555 1.00 23.53 C ATOM 584 C ASP A 38 -6.683 -13.702 1.670 1.00 70.14 C ATOM 585 O ASP A 38 -6.214 -14.827 1.469 1.00 12.22 O ATOM 586 CB ASP A 38 -6.476 -12.183 -0.376 1.00 23.13 C ATOM 587 CG ASP A 38 -5.417 -13.068 -1.044 1.00 45.42 C ATOM 588 OD1 ASP A 38 -5.779 -13.882 -1.915 1.00 32.25 O ATOM 589 OD2 ASP A 38 -4.225 -12.988 -0.673 1.00 73.21 O ATOM 0 H ASP A 38 -8.085 -11.028 1.100 1.00 23.10 H new ATOM 0 HA ASP A 38 -7.989 -13.706 -0.026 1.00 23.53 H new ATOM 0 HB2 ASP A 38 -7.053 -11.678 -1.150 1.00 23.13 H new ATOM 0 HB3 ASP A 38 -5.974 -11.409 0.204 1.00 23.13 H new ATOM 594 N GLY A 39 -6.609 -13.079 2.860 1.00 5.52 N ATOM 595 CA GLY A 39 -5.974 -13.680 4.040 1.00 42.30 C ATOM 596 C GLY A 39 -4.671 -12.994 4.435 1.00 44.11 C ATOM 597 O GLY A 39 -4.064 -13.353 5.452 1.00 43.21 O ATOM 0 H GLY A 39 -6.988 -12.147 3.027 1.00 5.52 H new ATOM 0 HA2 GLY A 39 -6.668 -13.638 4.879 1.00 42.30 H new ATOM 0 HA3 GLY A 39 -5.777 -14.734 3.842 1.00 42.30 H new ATOM 601 N GLY A 40 -4.241 -12.003 3.633 1.00 22.44 N ATOM 602 CA GLY A 40 -3.064 -11.184 3.947 1.00 21.31 C ATOM 603 C GLY A 40 -3.437 -9.890 4.657 1.00 63.32 C ATOM 604 O GLY A 40 -4.525 -9.791 5.231 1.00 24.34 O ATOM 0 H GLY A 40 -4.698 -11.751 2.756 1.00 22.44 H new ATOM 0 HA2 GLY A 40 -2.382 -11.757 4.575 1.00 21.31 H new ATOM 0 HA3 GLY A 40 -2.530 -10.950 3.026 1.00 21.31 H new ATOM 608 N ASP A 41 -2.537 -8.895 4.590 1.00 12.33 N ATOM 609 CA ASP A 41 -2.742 -7.548 5.169 1.00 34.32 C ATOM 610 C ASP A 41 -1.570 -6.637 4.747 1.00 60.45 C ATOM 611 O ASP A 41 -0.504 -7.140 4.353 1.00 73.30 O ATOM 612 CB ASP A 41 -2.865 -7.630 6.721 1.00 42.22 C ATOM 613 CG ASP A 41 -3.152 -6.287 7.403 1.00 22.41 C ATOM 614 OD1 ASP A 41 -4.071 -5.575 6.952 1.00 35.40 O ATOM 615 OD2 ASP A 41 -2.472 -5.935 8.386 1.00 60.34 O ATOM 0 H ASP A 41 -1.634 -9.000 4.127 1.00 12.33 H new ATOM 0 HA ASP A 41 -3.673 -7.125 4.793 1.00 34.32 H new ATOM 0 HB2 ASP A 41 -3.661 -8.330 6.974 1.00 42.22 H new ATOM 0 HB3 ASP A 41 -1.940 -8.039 7.126 1.00 42.22 H new ATOM 620 N VAL A 42 -1.768 -5.302 4.819 1.00 12.24 N ATOM 621 CA VAL A 42 -0.724 -4.308 4.490 1.00 4.21 C ATOM 622 C VAL A 42 -0.512 -3.372 5.704 1.00 41.33 C ATOM 623 O VAL A 42 -1.465 -2.800 6.251 1.00 12.11 O ATOM 624 CB VAL A 42 -1.041 -3.477 3.171 1.00 63.04 C ATOM 625 CG1 VAL A 42 -1.222 -4.413 1.950 1.00 70.45 C ATOM 626 CG2 VAL A 42 -2.268 -2.550 3.325 1.00 60.13 C ATOM 0 H VAL A 42 -2.654 -4.885 5.106 1.00 12.24 H new ATOM 0 HA VAL A 42 0.196 -4.853 4.277 1.00 4.21 H new ATOM 0 HB VAL A 42 -0.176 -2.836 3.000 1.00 63.04 H new ATOM 0 HG11 VAL A 42 -1.438 -3.817 1.063 1.00 70.45 H new ATOM 0 HG12 VAL A 42 -0.307 -4.983 1.790 1.00 70.45 H new ATOM 0 HG13 VAL A 42 -2.049 -5.098 2.136 1.00 70.45 H new ATOM 0 HG21 VAL A 42 -2.435 -2.009 2.393 1.00 60.13 H new ATOM 0 HG22 VAL A 42 -3.149 -3.148 3.560 1.00 60.13 H new ATOM 0 HG23 VAL A 42 -2.087 -1.838 4.130 1.00 60.13 H new ATOM 636 N ILE A 43 0.740 -3.275 6.165 1.00 3.42 N ATOM 637 CA ILE A 43 1.126 -2.413 7.295 1.00 31.44 C ATOM 638 C ILE A 43 2.043 -1.310 6.753 1.00 45.24 C ATOM 639 O ILE A 43 3.032 -1.615 6.085 1.00 70.32 O ATOM 640 CB ILE A 43 1.879 -3.202 8.453 1.00 61.14 C ATOM 641 CG1 ILE A 43 1.002 -4.357 9.073 1.00 1.53 C ATOM 642 CG2 ILE A 43 2.355 -2.232 9.565 1.00 14.01 C ATOM 643 CD1 ILE A 43 0.857 -5.604 8.209 1.00 24.02 C ATOM 0 H ILE A 43 1.521 -3.794 5.764 1.00 3.42 H new ATOM 0 HA ILE A 43 0.216 -2.006 7.737 1.00 31.44 H new ATOM 0 HB ILE A 43 2.749 -3.671 7.993 1.00 61.14 H new ATOM 0 HG12 ILE A 43 1.437 -4.647 10.029 1.00 1.53 H new ATOM 0 HG13 ILE A 43 0.007 -3.963 9.282 1.00 1.53 H new ATOM 0 HG21 ILE A 43 2.867 -2.796 10.345 1.00 14.01 H new ATOM 0 HG22 ILE A 43 3.039 -1.498 9.139 1.00 14.01 H new ATOM 0 HG23 ILE A 43 1.494 -1.719 9.994 1.00 14.01 H new ATOM 0 HD11 ILE A 43 0.236 -6.335 8.727 1.00 24.02 H new ATOM 0 HD12 ILE A 43 0.390 -5.338 7.261 1.00 24.02 H new ATOM 0 HD13 ILE A 43 1.841 -6.032 8.020 1.00 24.02 H new ATOM 655 N TYR A 44 1.718 -0.038 7.045 1.00 41.40 N ATOM 656 CA TYR A 44 2.537 1.104 6.613 1.00 41.40 C ATOM 657 C TYR A 44 3.891 1.097 7.352 1.00 21.21 C ATOM 658 O TYR A 44 3.927 1.162 8.587 1.00 52.51 O ATOM 659 CB TYR A 44 1.785 2.442 6.833 1.00 30.00 C ATOM 660 CG TYR A 44 2.571 3.677 6.366 1.00 12.20 C ATOM 661 CD1 TYR A 44 2.656 3.997 5.013 1.00 22.21 C ATOM 662 CD2 TYR A 44 3.236 4.505 7.276 1.00 63.32 C ATOM 663 CE1 TYR A 44 3.362 5.097 4.584 1.00 74.44 C ATOM 664 CE2 TYR A 44 3.938 5.602 6.849 1.00 34.31 C ATOM 665 CZ TYR A 44 3.998 5.895 5.505 1.00 51.43 C ATOM 666 OH TYR A 44 4.684 7.001 5.085 1.00 24.44 O ATOM 0 H TYR A 44 0.890 0.223 7.581 1.00 41.40 H new ATOM 0 HA TYR A 44 2.729 1.009 5.544 1.00 41.40 H new ATOM 0 HB2 TYR A 44 0.834 2.405 6.302 1.00 30.00 H new ATOM 0 HB3 TYR A 44 1.554 2.549 7.893 1.00 30.00 H new ATOM 0 HD1 TYR A 44 2.159 3.370 4.288 1.00 22.21 H new ATOM 0 HD2 TYR A 44 3.196 4.277 8.331 1.00 63.32 H new ATOM 0 HE1 TYR A 44 3.416 5.332 3.531 1.00 74.44 H new ATOM 0 HE2 TYR A 44 4.442 6.235 7.564 1.00 34.31 H new ATOM 0 HH TYR A 44 5.514 7.085 5.599 1.00 24.44 H new ATOM 676 N LYS A 45 4.992 0.990 6.582 1.00 41.34 N ATOM 677 CA LYS A 45 6.366 0.980 7.122 1.00 64.42 C ATOM 678 C LYS A 45 7.007 2.362 6.985 1.00 52.51 C ATOM 679 O LYS A 45 7.615 2.868 7.935 1.00 72.50 O ATOM 680 CB LYS A 45 7.217 -0.100 6.395 1.00 23.12 C ATOM 681 CG LYS A 45 6.693 -1.560 6.526 1.00 75.20 C ATOM 682 CD LYS A 45 6.999 -2.232 7.897 1.00 22.12 C ATOM 683 CE LYS A 45 6.043 -1.836 9.040 1.00 43.02 C ATOM 684 NZ LYS A 45 6.355 -2.560 10.296 1.00 4.14 N ATOM 0 H LYS A 45 4.953 0.908 5.566 1.00 41.34 H new ATOM 0 HA LYS A 45 6.325 0.732 8.183 1.00 64.42 H new ATOM 0 HB2 LYS A 45 7.271 0.155 5.337 1.00 23.12 H new ATOM 0 HB3 LYS A 45 8.234 -0.060 6.785 1.00 23.12 H new ATOM 0 HG2 LYS A 45 5.615 -1.562 6.367 1.00 75.20 H new ATOM 0 HG3 LYS A 45 7.133 -2.164 5.733 1.00 75.20 H new ATOM 0 HD2 LYS A 45 6.963 -3.314 7.771 1.00 22.12 H new ATOM 0 HD3 LYS A 45 8.018 -1.979 8.190 1.00 22.12 H new ATOM 0 HE2 LYS A 45 6.110 -0.762 9.214 1.00 43.02 H new ATOM 0 HE3 LYS A 45 5.016 -2.048 8.744 1.00 43.02 H new ATOM 0 HZ1 LYS A 45 5.690 -2.266 11.040 1.00 4.14 H new ATOM 0 HZ2 LYS A 45 6.267 -3.584 10.137 1.00 4.14 H new ATOM 0 HZ3 LYS A 45 7.327 -2.338 10.592 1.00 4.14 H new ATOM 698 N GLY A 46 6.853 2.973 5.802 1.00 55.03 N ATOM 699 CA GLY A 46 7.456 4.274 5.536 1.00 22.20 C ATOM 700 C GLY A 46 7.173 4.809 4.144 1.00 12.14 C ATOM 701 O GLY A 46 6.381 4.237 3.387 1.00 44.04 O ATOM 0 H GLY A 46 6.319 2.586 5.024 1.00 55.03 H new ATOM 0 HA2 GLY A 46 7.090 4.990 6.271 1.00 22.20 H new ATOM 0 HA3 GLY A 46 8.535 4.199 5.674 1.00 22.20 H new ATOM 705 N PHE A 47 7.840 5.924 3.843 1.00 24.12 N ATOM 706 CA PHE A 47 7.730 6.662 2.585 1.00 73.20 C ATOM 707 C PHE A 47 9.058 7.408 2.405 1.00 12.50 C ATOM 708 O PHE A 47 9.422 8.223 3.252 1.00 35.13 O ATOM 709 CB PHE A 47 6.515 7.637 2.663 1.00 33.00 C ATOM 710 CG PHE A 47 6.217 8.480 1.416 1.00 14.13 C ATOM 711 CD1 PHE A 47 6.179 7.902 0.152 1.00 32.53 C ATOM 712 CD2 PHE A 47 5.957 9.851 1.516 1.00 75.42 C ATOM 713 CE1 PHE A 47 5.894 8.657 -0.965 1.00 45.45 C ATOM 714 CE2 PHE A 47 5.672 10.604 0.393 1.00 14.30 C ATOM 715 CZ PHE A 47 5.642 10.005 -0.848 1.00 54.12 C ATOM 0 H PHE A 47 8.497 6.354 4.494 1.00 24.12 H new ATOM 0 HA PHE A 47 7.555 6.008 1.731 1.00 73.20 H new ATOM 0 HB2 PHE A 47 5.626 7.052 2.897 1.00 33.00 H new ATOM 0 HB3 PHE A 47 6.679 8.316 3.500 1.00 33.00 H new ATOM 0 HD1 PHE A 47 6.376 6.846 0.044 1.00 32.53 H new ATOM 0 HD2 PHE A 47 5.979 10.328 2.485 1.00 75.42 H new ATOM 0 HE1 PHE A 47 5.868 8.188 -1.938 1.00 45.45 H new ATOM 0 HE2 PHE A 47 5.473 11.661 0.488 1.00 14.30 H new ATOM 0 HZ PHE A 47 5.421 10.592 -1.727 1.00 54.12 H new ATOM 725 N GLU A 48 9.820 7.051 1.361 1.00 61.31 N ATOM 726 CA GLU A 48 11.112 7.685 1.057 1.00 62.34 C ATOM 727 C GLU A 48 11.395 7.612 -0.446 1.00 43.10 C ATOM 728 O GLU A 48 11.188 6.559 -1.060 1.00 11.25 O ATOM 729 CB GLU A 48 12.258 7.031 1.882 1.00 1.04 C ATOM 730 CG GLU A 48 12.334 5.494 1.790 1.00 63.15 C ATOM 731 CD GLU A 48 13.538 4.901 2.539 1.00 62.23 C ATOM 732 OE1 GLU A 48 13.454 4.725 3.774 1.00 34.14 O ATOM 733 OE2 GLU A 48 14.574 4.621 1.900 1.00 32.03 O ATOM 0 H GLU A 48 9.559 6.316 0.704 1.00 61.31 H new ATOM 0 HA GLU A 48 11.062 8.736 1.343 1.00 62.34 H new ATOM 0 HB2 GLU A 48 13.208 7.447 1.548 1.00 1.04 H new ATOM 0 HB3 GLU A 48 12.137 7.311 2.928 1.00 1.04 H new ATOM 0 HG2 GLU A 48 11.416 5.067 2.194 1.00 63.15 H new ATOM 0 HG3 GLU A 48 12.387 5.201 0.741 1.00 63.15 H new ATOM 740 N ASP A 49 11.848 8.753 -1.018 1.00 4.32 N ATOM 741 CA ASP A 49 12.182 8.901 -2.461 1.00 72.43 C ATOM 742 C ASP A 49 10.942 8.659 -3.346 1.00 41.24 C ATOM 743 O ASP A 49 11.061 8.309 -4.527 1.00 65.53 O ATOM 744 CB ASP A 49 13.369 7.960 -2.864 1.00 35.43 C ATOM 745 CG ASP A 49 14.704 8.317 -2.184 1.00 4.41 C ATOM 746 OD1 ASP A 49 14.761 8.348 -0.933 1.00 61.12 O ATOM 747 OD2 ASP A 49 15.703 8.557 -2.894 1.00 35.04 O ATOM 0 H ASP A 49 11.995 9.610 -0.485 1.00 4.32 H new ATOM 0 HA ASP A 49 12.507 9.928 -2.627 1.00 72.43 H new ATOM 0 HB2 ASP A 49 13.107 6.932 -2.612 1.00 35.43 H new ATOM 0 HB3 ASP A 49 13.501 8.000 -3.945 1.00 35.43 H new ATOM 752 N GLY A 50 9.748 8.873 -2.760 1.00 31.30 N ATOM 753 CA GLY A 50 8.477 8.648 -3.451 1.00 21.44 C ATOM 754 C GLY A 50 7.986 7.200 -3.381 1.00 30.13 C ATOM 755 O GLY A 50 6.905 6.879 -3.889 1.00 11.22 O ATOM 0 H GLY A 50 9.644 9.204 -1.801 1.00 31.30 H new ATOM 0 HA2 GLY A 50 7.718 9.301 -3.019 1.00 21.44 H new ATOM 0 HA3 GLY A 50 8.587 8.935 -4.497 1.00 21.44 H new ATOM 759 N ILE A 51 8.770 6.328 -2.736 1.00 24.10 N ATOM 760 CA ILE A 51 8.461 4.900 -2.594 1.00 74.25 C ATOM 761 C ILE A 51 7.783 4.649 -1.240 1.00 54.31 C ATOM 762 O ILE A 51 8.410 4.798 -0.182 1.00 74.31 O ATOM 763 CB ILE A 51 9.766 4.026 -2.747 1.00 64.21 C ATOM 764 CG1 ILE A 51 10.393 4.237 -4.164 1.00 64.02 C ATOM 765 CG2 ILE A 51 9.492 2.525 -2.477 1.00 11.12 C ATOM 766 CD1 ILE A 51 9.485 3.858 -5.324 1.00 14.44 C ATOM 0 H ILE A 51 9.648 6.598 -2.292 1.00 24.10 H new ATOM 0 HA ILE A 51 7.774 4.606 -3.388 1.00 74.25 H new ATOM 0 HB ILE A 51 10.481 4.358 -1.994 1.00 64.21 H new ATOM 0 HG12 ILE A 51 10.676 5.284 -4.269 1.00 64.02 H new ATOM 0 HG13 ILE A 51 11.310 3.651 -4.232 1.00 64.02 H new ATOM 0 HG21 ILE A 51 10.417 1.960 -2.593 1.00 11.12 H new ATOM 0 HG22 ILE A 51 9.116 2.401 -1.462 1.00 11.12 H new ATOM 0 HG23 ILE A 51 8.750 2.157 -3.186 1.00 11.12 H new ATOM 0 HD11 ILE A 51 10.004 4.038 -6.266 1.00 14.44 H new ATOM 0 HD12 ILE A 51 9.222 2.803 -5.250 1.00 14.44 H new ATOM 0 HD13 ILE A 51 8.578 4.461 -5.288 1.00 14.44 H new ATOM 778 N VAL A 52 6.486 4.308 -1.303 1.00 14.44 N ATOM 779 CA VAL A 52 5.689 3.942 -0.132 1.00 41.44 C ATOM 780 C VAL A 52 6.004 2.482 0.224 1.00 41.45 C ATOM 781 O VAL A 52 5.568 1.555 -0.466 1.00 42.03 O ATOM 782 CB VAL A 52 4.144 4.120 -0.381 1.00 54.04 C ATOM 783 CG1 VAL A 52 3.338 3.856 0.916 1.00 61.31 C ATOM 784 CG2 VAL A 52 3.825 5.522 -0.949 1.00 63.40 C ATOM 0 H VAL A 52 5.961 4.280 -2.177 1.00 14.44 H new ATOM 0 HA VAL A 52 5.951 4.607 0.691 1.00 41.44 H new ATOM 0 HB VAL A 52 3.843 3.382 -1.124 1.00 54.04 H new ATOM 0 HG11 VAL A 52 2.274 3.986 0.716 1.00 61.31 H new ATOM 0 HG12 VAL A 52 3.522 2.837 1.257 1.00 61.31 H new ATOM 0 HG13 VAL A 52 3.650 4.559 1.688 1.00 61.31 H new ATOM 0 HG21 VAL A 52 2.751 5.614 -1.110 1.00 63.40 H new ATOM 0 HG22 VAL A 52 4.152 6.284 -0.242 1.00 63.40 H new ATOM 0 HG23 VAL A 52 4.347 5.658 -1.896 1.00 63.40 H new ATOM 794 N GLN A 53 6.791 2.291 1.280 1.00 72.12 N ATOM 795 CA GLN A 53 7.274 0.971 1.694 1.00 65.24 C ATOM 796 C GLN A 53 6.249 0.332 2.651 1.00 71.45 C ATOM 797 O GLN A 53 5.894 0.932 3.676 1.00 70.20 O ATOM 798 CB GLN A 53 8.679 1.108 2.339 1.00 33.34 C ATOM 799 CG GLN A 53 9.802 1.467 1.335 1.00 21.32 C ATOM 800 CD GLN A 53 11.213 1.426 1.931 1.00 74.23 C ATOM 801 OE1 GLN A 53 11.493 0.677 2.867 1.00 65.44 O ATOM 802 NE2 GLN A 53 12.123 2.208 1.368 1.00 2.55 N ATOM 0 H GLN A 53 7.115 3.051 1.878 1.00 72.12 H new ATOM 0 HA GLN A 53 7.376 0.313 0.831 1.00 65.24 H new ATOM 0 HB2 GLN A 53 8.639 1.875 3.113 1.00 33.34 H new ATOM 0 HB3 GLN A 53 8.934 0.170 2.833 1.00 33.34 H new ATOM 0 HG2 GLN A 53 9.755 0.777 0.493 1.00 21.32 H new ATOM 0 HG3 GLN A 53 9.615 2.466 0.940 1.00 21.32 H new ATOM 0 HE21 GLN A 53 11.862 2.819 0.594 1.00 2.55 H new ATOM 0 HE22 GLN A 53 13.084 2.199 1.709 1.00 2.55 H new ATOM 811 N LEU A 54 5.752 -0.872 2.284 1.00 44.13 N ATOM 812 CA LEU A 54 4.643 -1.556 2.985 1.00 44.32 C ATOM 813 C LEU A 54 4.984 -3.024 3.286 1.00 51.34 C ATOM 814 O LEU A 54 5.588 -3.709 2.462 1.00 1.11 O ATOM 815 CB LEU A 54 3.353 -1.513 2.123 1.00 10.13 C ATOM 816 CG LEU A 54 2.831 -0.102 1.723 1.00 20.01 C ATOM 817 CD1 LEU A 54 1.561 -0.199 0.873 1.00 31.01 C ATOM 818 CD2 LEU A 54 2.598 0.780 2.961 1.00 10.42 C ATOM 0 H LEU A 54 6.112 -1.398 1.488 1.00 44.13 H new ATOM 0 HA LEU A 54 4.484 -1.030 3.927 1.00 44.32 H new ATOM 0 HB2 LEU A 54 3.533 -2.081 1.210 1.00 10.13 H new ATOM 0 HB3 LEU A 54 2.561 -2.028 2.668 1.00 10.13 H new ATOM 0 HG LEU A 54 3.603 0.372 1.117 1.00 20.01 H new ATOM 0 HD11 LEU A 54 1.222 0.803 0.610 1.00 31.01 H new ATOM 0 HD12 LEU A 54 1.774 -0.760 -0.037 1.00 31.01 H new ATOM 0 HD13 LEU A 54 0.782 -0.709 1.440 1.00 31.01 H new ATOM 0 HD21 LEU A 54 2.234 1.758 2.647 1.00 10.42 H new ATOM 0 HD22 LEU A 54 1.860 0.309 3.610 1.00 10.42 H new ATOM 0 HD23 LEU A 54 3.535 0.899 3.505 1.00 10.42 H new ATOM 830 N LYS A 55 4.542 -3.495 4.458 1.00 44.15 N ATOM 831 CA LYS A 55 4.702 -4.884 4.896 1.00 43.13 C ATOM 832 C LYS A 55 3.503 -5.713 4.425 1.00 22.34 C ATOM 833 O LYS A 55 2.368 -5.444 4.836 1.00 62.14 O ATOM 834 CB LYS A 55 4.817 -4.938 6.438 1.00 32.03 C ATOM 835 CG LYS A 55 5.037 -6.346 7.029 1.00 44.02 C ATOM 836 CD LYS A 55 5.225 -6.313 8.560 1.00 15.42 C ATOM 837 CE LYS A 55 5.620 -7.677 9.140 1.00 60.21 C ATOM 838 NZ LYS A 55 5.889 -7.610 10.602 1.00 34.31 N ATOM 0 H LYS A 55 4.056 -2.911 5.139 1.00 44.15 H new ATOM 0 HA LYS A 55 5.612 -5.298 4.462 1.00 43.13 H new ATOM 0 HB2 LYS A 55 5.643 -4.298 6.748 1.00 32.03 H new ATOM 0 HB3 LYS A 55 3.909 -4.518 6.870 1.00 32.03 H new ATOM 0 HG2 LYS A 55 4.184 -6.979 6.783 1.00 44.02 H new ATOM 0 HG3 LYS A 55 5.914 -6.799 6.567 1.00 44.02 H new ATOM 0 HD2 LYS A 55 5.992 -5.580 8.812 1.00 15.42 H new ATOM 0 HD3 LYS A 55 4.299 -5.979 9.028 1.00 15.42 H new ATOM 0 HE2 LYS A 55 4.822 -8.395 8.952 1.00 60.21 H new ATOM 0 HE3 LYS A 55 6.508 -8.045 8.626 1.00 60.21 H new ATOM 0 HZ1 LYS A 55 6.152 -8.554 10.950 1.00 34.31 H new ATOM 0 HZ2 LYS A 55 6.668 -6.945 10.781 1.00 34.31 H new ATOM 0 HZ3 LYS A 55 5.035 -7.284 11.098 1.00 34.31 H new ATOM 852 N LEU A 56 3.750 -6.703 3.558 1.00 42.34 N ATOM 853 CA LEU A 56 2.703 -7.623 3.090 1.00 72.13 C ATOM 854 C LEU A 56 2.681 -8.869 3.994 1.00 12.04 C ATOM 855 O LEU A 56 3.723 -9.288 4.508 1.00 43.13 O ATOM 856 CB LEU A 56 2.935 -8.023 1.609 1.00 40.24 C ATOM 857 CG LEU A 56 3.109 -6.853 0.582 1.00 33.45 C ATOM 858 CD1 LEU A 56 3.195 -7.390 -0.859 1.00 15.33 C ATOM 859 CD2 LEU A 56 1.994 -5.795 0.714 1.00 34.41 C ATOM 0 H LEU A 56 4.672 -6.889 3.164 1.00 42.34 H new ATOM 0 HA LEU A 56 1.738 -7.120 3.146 1.00 72.13 H new ATOM 0 HB2 LEU A 56 3.824 -8.652 1.562 1.00 40.24 H new ATOM 0 HB3 LEU A 56 2.093 -8.636 1.287 1.00 40.24 H new ATOM 0 HG LEU A 56 4.051 -6.357 0.817 1.00 33.45 H new ATOM 0 HD11 LEU A 56 3.315 -6.557 -1.551 1.00 15.33 H new ATOM 0 HD12 LEU A 56 4.049 -8.061 -0.947 1.00 15.33 H new ATOM 0 HD13 LEU A 56 2.281 -7.933 -1.100 1.00 15.33 H new ATOM 0 HD21 LEU A 56 2.155 -5.003 -0.017 1.00 34.41 H new ATOM 0 HD22 LEU A 56 1.026 -6.263 0.535 1.00 34.41 H new ATOM 0 HD23 LEU A 56 2.012 -5.371 1.718 1.00 34.41 H new ATOM 871 N GLN A 57 1.488 -9.435 4.209 1.00 24.31 N ATOM 872 CA GLN A 57 1.311 -10.677 5.001 1.00 24.54 C ATOM 873 C GLN A 57 1.097 -11.889 4.072 1.00 43.32 C ATOM 874 O GLN A 57 1.011 -11.726 2.844 1.00 62.24 O ATOM 875 CB GLN A 57 0.133 -10.511 5.998 1.00 23.34 C ATOM 876 CG GLN A 57 0.377 -9.461 7.097 1.00 34.23 C ATOM 877 CD GLN A 57 1.527 -9.817 8.048 1.00 52.01 C ATOM 878 OE1 GLN A 57 1.784 -10.990 8.330 1.00 53.12 O ATOM 879 NE2 GLN A 57 2.234 -8.810 8.544 1.00 33.50 N ATOM 0 H GLN A 57 0.615 -9.054 3.844 1.00 24.31 H new ATOM 0 HA GLN A 57 2.218 -10.861 5.577 1.00 24.54 H new ATOM 0 HB2 GLN A 57 -0.763 -10.236 5.441 1.00 23.34 H new ATOM 0 HB3 GLN A 57 -0.067 -11.473 6.469 1.00 23.34 H new ATOM 0 HG2 GLN A 57 0.590 -8.500 6.628 1.00 34.23 H new ATOM 0 HG3 GLN A 57 -0.537 -9.337 7.678 1.00 34.23 H new ATOM 0 HE21 GLN A 57 1.999 -7.850 8.293 1.00 33.50 H new ATOM 0 HE22 GLN A 57 3.013 -8.996 9.176 1.00 33.50 H new ATOM 888 N GLY A 58 1.005 -13.093 4.683 1.00 64.34 N ATOM 889 CA GLY A 58 0.840 -14.364 3.958 1.00 11.20 C ATOM 890 C GLY A 58 -0.352 -14.412 3.005 1.00 44.51 C ATOM 891 O GLY A 58 -1.223 -13.545 3.064 1.00 10.31 O ATOM 0 H GLY A 58 1.044 -13.205 5.696 1.00 64.34 H new ATOM 0 HA2 GLY A 58 1.749 -14.562 3.390 1.00 11.20 H new ATOM 0 HA3 GLY A 58 0.737 -15.169 4.685 1.00 11.20 H new ATOM 895 N SER A 59 -0.361 -15.446 2.131 1.00 3.44 N ATOM 896 CA SER A 59 -1.331 -15.637 1.027 1.00 14.30 C ATOM 897 C SER A 59 -0.995 -14.710 -0.159 1.00 42.40 C ATOM 898 O SER A 59 -0.777 -15.186 -1.283 1.00 21.24 O ATOM 899 CB SER A 59 -2.815 -15.485 1.474 1.00 44.23 C ATOM 900 OG SER A 59 -3.711 -15.757 0.410 1.00 35.11 O ATOM 0 H SER A 59 0.330 -16.195 2.177 1.00 3.44 H new ATOM 0 HA SER A 59 -1.230 -16.671 0.698 1.00 14.30 H new ATOM 0 HB2 SER A 59 -3.017 -16.163 2.303 1.00 44.23 H new ATOM 0 HB3 SER A 59 -2.983 -14.473 1.842 1.00 44.23 H new ATOM 0 HG SER A 59 -4.615 -15.476 0.664 1.00 35.11 H new ATOM 906 N CYS A 60 -0.942 -13.395 0.101 1.00 31.35 N ATOM 907 CA CYS A 60 -0.508 -12.388 -0.885 1.00 42.44 C ATOM 908 C CYS A 60 0.960 -12.619 -1.288 1.00 13.12 C ATOM 909 O CYS A 60 1.320 -12.519 -2.467 1.00 52.22 O ATOM 910 CB CYS A 60 -0.693 -10.983 -0.292 1.00 33.42 C ATOM 911 SG CYS A 60 -2.376 -10.690 0.277 1.00 34.43 S ATOM 0 H CYS A 60 -1.200 -12.996 1.004 1.00 31.35 H new ATOM 0 HA CYS A 60 -1.118 -12.481 -1.783 1.00 42.44 H new ATOM 0 HB2 CYS A 60 -0.003 -10.850 0.541 1.00 33.42 H new ATOM 0 HB3 CYS A 60 -0.432 -10.238 -1.044 1.00 33.42 H new ATOM 0 HG CYS A 60 -3.145 -11.657 -0.127 1.00 34.43 H new ATOM 917 N THR A 61 1.784 -12.968 -0.285 1.00 1.43 N ATOM 918 CA THR A 61 3.223 -13.222 -0.466 1.00 44.51 C ATOM 919 C THR A 61 3.511 -14.637 -1.020 1.00 61.01 C ATOM 920 O THR A 61 4.648 -14.921 -1.419 1.00 33.15 O ATOM 921 CB THR A 61 3.990 -13.006 0.879 1.00 35.15 C ATOM 922 OG1 THR A 61 3.431 -13.836 1.907 1.00 63.23 O ATOM 923 CG2 THR A 61 3.942 -11.537 1.326 1.00 3.33 C ATOM 0 H THR A 61 1.469 -13.082 0.678 1.00 1.43 H new ATOM 0 HA THR A 61 3.579 -12.506 -1.207 1.00 44.51 H new ATOM 0 HB THR A 61 5.032 -13.280 0.711 1.00 35.15 H new ATOM 0 HG1 THR A 61 3.920 -13.694 2.744 1.00 63.23 H new ATOM 0 HG21 THR A 61 4.485 -11.424 2.264 1.00 3.33 H new ATOM 0 HG22 THR A 61 4.402 -10.909 0.563 1.00 3.33 H new ATOM 0 HG23 THR A 61 2.905 -11.234 1.469 1.00 3.33 H new ATOM 931 N SER A 62 2.479 -15.516 -1.041 1.00 63.40 N ATOM 932 CA SER A 62 2.598 -16.887 -1.585 1.00 65.40 C ATOM 933 C SER A 62 2.839 -16.870 -3.112 1.00 22.25 C ATOM 934 O SER A 62 3.486 -17.775 -3.653 1.00 34.00 O ATOM 935 CB SER A 62 1.329 -17.707 -1.252 1.00 12.14 C ATOM 936 OG SER A 62 1.113 -17.767 0.145 1.00 31.44 O ATOM 0 H SER A 62 1.549 -15.295 -0.684 1.00 63.40 H new ATOM 0 HA SER A 62 3.461 -17.359 -1.116 1.00 65.40 H new ATOM 0 HB2 SER A 62 0.463 -17.257 -1.738 1.00 12.14 H new ATOM 0 HB3 SER A 62 1.429 -18.716 -1.651 1.00 12.14 H new ATOM 0 HG SER A 62 0.304 -18.289 0.329 1.00 31.44 H new ATOM 942 N CYS A 63 2.321 -15.827 -3.791 1.00 63.45 N ATOM 943 CA CYS A 63 2.447 -15.659 -5.248 1.00 73.50 C ATOM 944 C CYS A 63 3.134 -14.312 -5.574 1.00 4.12 C ATOM 945 O CYS A 63 2.639 -13.262 -5.146 1.00 54.24 O ATOM 946 CB CYS A 63 1.048 -15.748 -5.904 1.00 55.42 C ATOM 947 SG CYS A 63 0.224 -17.344 -5.666 1.00 31.15 S ATOM 0 H CYS A 63 1.801 -15.075 -3.339 1.00 63.45 H new ATOM 0 HA CYS A 63 3.069 -16.457 -5.653 1.00 73.50 H new ATOM 0 HB2 CYS A 63 0.416 -14.960 -5.496 1.00 55.42 H new ATOM 0 HB3 CYS A 63 1.146 -15.557 -6.973 1.00 55.42 H new ATOM 0 HG CYS A 63 -0.939 -17.323 -6.247 1.00 31.15 H new ATOM 953 N PRO A 64 4.303 -14.328 -6.313 1.00 62.14 N ATOM 954 CA PRO A 64 4.981 -13.091 -6.798 1.00 43.41 C ATOM 955 C PRO A 64 4.035 -12.182 -7.598 1.00 50.33 C ATOM 956 O PRO A 64 4.071 -10.962 -7.456 1.00 15.12 O ATOM 957 CB PRO A 64 6.123 -13.636 -7.696 1.00 64.14 C ATOM 958 CG PRO A 64 6.416 -15.001 -7.152 1.00 54.54 C ATOM 959 CD PRO A 64 5.078 -15.551 -6.696 1.00 71.24 C ATOM 0 HA PRO A 64 5.335 -12.467 -5.978 1.00 43.41 H new ATOM 0 HB2 PRO A 64 5.817 -13.684 -8.741 1.00 64.14 H new ATOM 0 HB3 PRO A 64 7.003 -12.994 -7.651 1.00 64.14 H new ATOM 0 HG2 PRO A 64 6.864 -15.639 -7.914 1.00 54.54 H new ATOM 0 HG3 PRO A 64 7.122 -14.950 -6.323 1.00 54.54 H new ATOM 0 HD2 PRO A 64 4.582 -16.107 -7.491 1.00 71.24 H new ATOM 0 HD3 PRO A 64 5.192 -16.233 -5.853 1.00 71.24 H new ATOM 967 N SER A 65 3.177 -12.818 -8.412 1.00 51.41 N ATOM 968 CA SER A 65 2.186 -12.136 -9.255 1.00 13.40 C ATOM 969 C SER A 65 1.158 -11.364 -8.406 1.00 41.02 C ATOM 970 O SER A 65 0.725 -10.281 -8.800 1.00 10.00 O ATOM 971 CB SER A 65 1.481 -13.168 -10.162 1.00 44.25 C ATOM 972 OG SER A 65 0.967 -14.251 -9.396 1.00 52.35 O ATOM 0 H SER A 65 3.153 -13.834 -8.503 1.00 51.41 H new ATOM 0 HA SER A 65 2.705 -11.406 -9.876 1.00 13.40 H new ATOM 0 HB2 SER A 65 0.669 -12.685 -10.706 1.00 44.25 H new ATOM 0 HB3 SER A 65 2.184 -13.545 -10.905 1.00 44.25 H new ATOM 0 HG SER A 65 0.523 -14.891 -9.991 1.00 52.35 H new ATOM 978 N SER A 66 0.778 -11.936 -7.244 1.00 23.52 N ATOM 979 CA SER A 66 -0.165 -11.302 -6.307 1.00 54.35 C ATOM 980 C SER A 66 0.488 -10.106 -5.593 1.00 21.02 C ATOM 981 O SER A 66 -0.189 -9.115 -5.315 1.00 41.34 O ATOM 982 CB SER A 66 -0.693 -12.337 -5.295 1.00 62.10 C ATOM 983 OG SER A 66 -1.334 -13.409 -5.966 1.00 61.33 O ATOM 0 H SER A 66 1.116 -12.846 -6.933 1.00 23.52 H new ATOM 0 HA SER A 66 -1.013 -10.921 -6.876 1.00 54.35 H new ATOM 0 HB2 SER A 66 0.132 -12.719 -4.693 1.00 62.10 H new ATOM 0 HB3 SER A 66 -1.393 -11.859 -4.610 1.00 62.10 H new ATOM 0 HG SER A 66 -1.662 -14.058 -5.308 1.00 61.33 H new ATOM 989 N ILE A 67 1.806 -10.215 -5.308 1.00 30.13 N ATOM 990 CA ILE A 67 2.611 -9.106 -4.750 1.00 62.24 C ATOM 991 C ILE A 67 2.621 -7.919 -5.730 1.00 71.34 C ATOM 992 O ILE A 67 2.393 -6.780 -5.326 1.00 14.12 O ATOM 993 CB ILE A 67 4.090 -9.571 -4.431 1.00 73.34 C ATOM 994 CG1 ILE A 67 4.081 -10.668 -3.315 1.00 1.22 C ATOM 995 CG2 ILE A 67 5.020 -8.381 -4.047 1.00 0.12 C ATOM 996 CD1 ILE A 67 5.442 -11.260 -2.980 1.00 72.03 C ATOM 0 H ILE A 67 2.339 -11.072 -5.458 1.00 30.13 H new ATOM 0 HA ILE A 67 2.153 -8.792 -3.812 1.00 62.24 H new ATOM 0 HB ILE A 67 4.503 -10.000 -5.344 1.00 73.34 H new ATOM 0 HG12 ILE A 67 3.656 -10.238 -2.408 1.00 1.22 H new ATOM 0 HG13 ILE A 67 3.418 -11.475 -3.626 1.00 1.22 H new ATOM 0 HG21 ILE A 67 6.022 -8.755 -3.838 1.00 0.12 H new ATOM 0 HG22 ILE A 67 5.063 -7.671 -4.873 1.00 0.12 H new ATOM 0 HG23 ILE A 67 4.627 -7.883 -3.161 1.00 0.12 H new ATOM 0 HD11 ILE A 67 5.330 -12.010 -2.197 1.00 72.03 H new ATOM 0 HD12 ILE A 67 5.865 -11.726 -3.870 1.00 72.03 H new ATOM 0 HD13 ILE A 67 6.107 -10.469 -2.633 1.00 72.03 H new ATOM 1008 N ILE A 68 2.858 -8.223 -7.021 1.00 60.00 N ATOM 1009 CA ILE A 68 2.903 -7.228 -8.110 1.00 61.34 C ATOM 1010 C ILE A 68 1.538 -6.523 -8.267 1.00 41.53 C ATOM 1011 O ILE A 68 1.472 -5.296 -8.196 1.00 72.41 O ATOM 1012 CB ILE A 68 3.341 -7.916 -9.465 1.00 64.42 C ATOM 1013 CG1 ILE A 68 4.792 -8.495 -9.337 1.00 22.50 C ATOM 1014 CG2 ILE A 68 3.233 -6.953 -10.676 1.00 55.51 C ATOM 1015 CD1 ILE A 68 5.265 -9.329 -10.521 1.00 23.33 C ATOM 0 H ILE A 68 3.025 -9.177 -7.340 1.00 60.00 H new ATOM 0 HA ILE A 68 3.643 -6.470 -7.854 1.00 61.34 H new ATOM 0 HB ILE A 68 2.649 -8.737 -9.653 1.00 64.42 H new ATOM 0 HG12 ILE A 68 5.486 -7.666 -9.197 1.00 22.50 H new ATOM 0 HG13 ILE A 68 4.843 -9.109 -8.438 1.00 22.50 H new ATOM 0 HG21 ILE A 68 3.545 -7.472 -11.582 1.00 55.51 H new ATOM 0 HG22 ILE A 68 2.201 -6.620 -10.785 1.00 55.51 H new ATOM 0 HG23 ILE A 68 3.878 -6.089 -10.513 1.00 55.51 H new ATOM 0 HD11 ILE A 68 6.279 -9.683 -10.335 1.00 23.33 H new ATOM 0 HD12 ILE A 68 4.601 -10.183 -10.653 1.00 23.33 H new ATOM 0 HD13 ILE A 68 5.254 -8.718 -11.424 1.00 23.33 H new ATOM 1027 N THR A 69 0.463 -7.322 -8.437 1.00 64.14 N ATOM 1028 CA THR A 69 -0.910 -6.822 -8.665 1.00 41.02 C ATOM 1029 C THR A 69 -1.381 -5.927 -7.496 1.00 21.21 C ATOM 1030 O THR A 69 -1.930 -4.842 -7.725 1.00 74.43 O ATOM 1031 CB THR A 69 -1.921 -8.007 -8.868 1.00 34.33 C ATOM 1032 OG1 THR A 69 -1.467 -8.857 -9.934 1.00 10.34 O ATOM 1033 CG2 THR A 69 -3.346 -7.525 -9.194 1.00 21.32 C ATOM 0 H THR A 69 0.524 -8.340 -8.420 1.00 64.14 H new ATOM 0 HA THR A 69 -0.887 -6.223 -9.576 1.00 41.02 H new ATOM 0 HB THR A 69 -1.960 -8.552 -7.925 1.00 34.33 H new ATOM 0 HG1 THR A 69 -0.713 -9.400 -9.621 1.00 10.34 H new ATOM 0 HG21 THR A 69 -4.001 -8.387 -9.324 1.00 21.32 H new ATOM 0 HG22 THR A 69 -3.717 -6.907 -8.376 1.00 21.32 H new ATOM 0 HG23 THR A 69 -3.331 -6.939 -10.113 1.00 21.32 H new ATOM 1041 N LEU A 70 -1.129 -6.391 -6.253 1.00 24.31 N ATOM 1042 CA LEU A 70 -1.506 -5.664 -5.025 1.00 14.31 C ATOM 1043 C LEU A 70 -0.752 -4.325 -4.934 1.00 72.20 C ATOM 1044 O LEU A 70 -1.369 -3.276 -4.749 1.00 4.24 O ATOM 1045 CB LEU A 70 -1.224 -6.538 -3.772 1.00 61.10 C ATOM 1046 CG LEU A 70 -1.561 -5.903 -2.382 1.00 53.21 C ATOM 1047 CD1 LEU A 70 -3.029 -5.436 -2.313 1.00 21.25 C ATOM 1048 CD2 LEU A 70 -1.220 -6.877 -1.232 1.00 72.25 C ATOM 0 H LEU A 70 -0.659 -7.279 -6.075 1.00 24.31 H new ATOM 0 HA LEU A 70 -2.574 -5.450 -5.064 1.00 14.31 H new ATOM 0 HB2 LEU A 70 -1.790 -7.465 -3.869 1.00 61.10 H new ATOM 0 HB3 LEU A 70 -0.168 -6.808 -3.776 1.00 61.10 H new ATOM 0 HG LEU A 70 -0.938 -5.017 -2.262 1.00 53.21 H new ATOM 0 HD11 LEU A 70 -3.227 -5.001 -1.334 1.00 21.25 H new ATOM 0 HD12 LEU A 70 -3.210 -4.689 -3.086 1.00 21.25 H new ATOM 0 HD13 LEU A 70 -3.690 -6.288 -2.471 1.00 21.25 H new ATOM 0 HD21 LEU A 70 -1.464 -6.412 -0.277 1.00 72.25 H new ATOM 0 HD22 LEU A 70 -1.799 -7.793 -1.347 1.00 72.25 H new ATOM 0 HD23 LEU A 70 -0.156 -7.114 -1.259 1.00 72.25 H new ATOM 1060 N LYS A 71 0.581 -4.393 -5.113 1.00 23.54 N ATOM 1061 CA LYS A 71 1.487 -3.224 -5.089 1.00 63.40 C ATOM 1062 C LYS A 71 1.055 -2.162 -6.123 1.00 13.31 C ATOM 1063 O LYS A 71 1.140 -0.965 -5.851 1.00 54.12 O ATOM 1064 CB LYS A 71 2.947 -3.731 -5.329 1.00 64.12 C ATOM 1065 CG LYS A 71 4.073 -2.664 -5.429 1.00 72.32 C ATOM 1066 CD LYS A 71 4.335 -2.142 -6.872 1.00 45.40 C ATOM 1067 CE LYS A 71 4.746 -3.262 -7.843 1.00 35.13 C ATOM 1068 NZ LYS A 71 4.992 -2.754 -9.214 1.00 53.22 N ATOM 0 H LYS A 71 1.068 -5.273 -5.281 1.00 23.54 H new ATOM 0 HA LYS A 71 1.439 -2.731 -4.118 1.00 63.40 H new ATOM 0 HB2 LYS A 71 3.203 -4.414 -4.519 1.00 64.12 H new ATOM 0 HB3 LYS A 71 2.953 -4.313 -6.251 1.00 64.12 H new ATOM 0 HG2 LYS A 71 3.814 -1.819 -4.791 1.00 72.32 H new ATOM 0 HG3 LYS A 71 4.996 -3.089 -5.036 1.00 72.32 H new ATOM 0 HD2 LYS A 71 3.435 -1.654 -7.246 1.00 45.40 H new ATOM 0 HD3 LYS A 71 5.119 -1.386 -6.844 1.00 45.40 H new ATOM 0 HE2 LYS A 71 5.647 -3.750 -7.471 1.00 35.13 H new ATOM 0 HE3 LYS A 71 3.963 -4.019 -7.873 1.00 35.13 H new ATOM 0 HZ1 LYS A 71 5.503 -3.474 -9.764 1.00 53.22 H new ATOM 0 HZ2 LYS A 71 4.083 -2.545 -9.675 1.00 53.22 H new ATOM 0 HZ3 LYS A 71 5.563 -1.886 -9.165 1.00 53.22 H new ATOM 1082 N ASN A 72 0.587 -2.627 -7.297 1.00 64.33 N ATOM 1083 CA ASN A 72 0.096 -1.760 -8.392 1.00 32.31 C ATOM 1084 C ASN A 72 -1.230 -1.081 -8.028 1.00 72.30 C ATOM 1085 O ASN A 72 -1.407 0.103 -8.309 1.00 60.04 O ATOM 1086 CB ASN A 72 -0.054 -2.563 -9.715 1.00 11.11 C ATOM 1087 CG ASN A 72 1.286 -3.002 -10.303 1.00 72.12 C ATOM 1088 OD1 ASN A 72 2.296 -2.313 -10.165 1.00 43.43 O ATOM 1089 ND2 ASN A 72 1.303 -4.153 -10.955 1.00 5.42 N ATOM 0 H ASN A 72 0.538 -3.622 -7.517 1.00 64.33 H new ATOM 0 HA ASN A 72 0.842 -0.979 -8.541 1.00 32.31 H new ATOM 0 HB2 ASN A 72 -0.670 -3.444 -9.531 1.00 11.11 H new ATOM 0 HB3 ASN A 72 -0.583 -1.952 -10.446 1.00 11.11 H new ATOM 0 HD21 ASN A 72 2.173 -4.495 -11.363 1.00 5.42 H new ATOM 0 HD22 ASN A 72 0.446 -4.698 -11.050 1.00 5.42 H new ATOM 1096 N GLY A 73 -2.143 -1.832 -7.390 1.00 53.40 N ATOM 1097 CA GLY A 73 -3.441 -1.295 -6.964 1.00 44.32 C ATOM 1098 C GLY A 73 -3.285 -0.175 -5.941 1.00 20.43 C ATOM 1099 O GLY A 73 -3.902 0.899 -6.063 1.00 15.55 O ATOM 0 H GLY A 73 -2.003 -2.815 -7.159 1.00 53.40 H new ATOM 0 HA2 GLY A 73 -3.982 -0.920 -7.833 1.00 44.32 H new ATOM 0 HA3 GLY A 73 -4.043 -2.097 -6.536 1.00 44.32 H new ATOM 1103 N ILE A 74 -2.408 -0.434 -4.956 1.00 24.35 N ATOM 1104 CA ILE A 74 -2.024 0.530 -3.917 1.00 21.33 C ATOM 1105 C ILE A 74 -1.333 1.750 -4.552 1.00 72.40 C ATOM 1106 O ILE A 74 -1.605 2.889 -4.172 1.00 55.11 O ATOM 1107 CB ILE A 74 -1.054 -0.132 -2.860 1.00 3.23 C ATOM 1108 CG1 ILE A 74 -1.702 -1.400 -2.213 1.00 3.22 C ATOM 1109 CG2 ILE A 74 -0.640 0.889 -1.778 1.00 72.15 C ATOM 1110 CD1 ILE A 74 -0.769 -2.208 -1.311 1.00 61.32 C ATOM 0 H ILE A 74 -1.940 -1.335 -4.860 1.00 24.35 H new ATOM 0 HA ILE A 74 -2.932 0.850 -3.406 1.00 21.33 H new ATOM 0 HB ILE A 74 -0.155 -0.451 -3.387 1.00 3.23 H new ATOM 0 HG12 ILE A 74 -2.569 -1.090 -1.630 1.00 3.22 H new ATOM 0 HG13 ILE A 74 -2.068 -2.050 -3.008 1.00 3.22 H new ATOM 0 HG21 ILE A 74 0.028 0.410 -1.062 1.00 72.15 H new ATOM 0 HG22 ILE A 74 -0.127 1.728 -2.247 1.00 72.15 H new ATOM 0 HG23 ILE A 74 -1.528 1.251 -1.260 1.00 72.15 H new ATOM 0 HD11 ILE A 74 -1.306 -3.067 -0.908 1.00 61.32 H new ATOM 0 HD12 ILE A 74 0.087 -2.554 -1.890 1.00 61.32 H new ATOM 0 HD13 ILE A 74 -0.422 -1.580 -0.491 1.00 61.32 H new ATOM 1122 N GLN A 75 -0.438 1.474 -5.525 1.00 64.11 N ATOM 1123 CA GLN A 75 0.335 2.503 -6.241 1.00 20.31 C ATOM 1124 C GLN A 75 -0.604 3.529 -6.897 1.00 55.40 C ATOM 1125 O GLN A 75 -0.578 4.697 -6.530 1.00 42.14 O ATOM 1126 CB GLN A 75 1.263 1.847 -7.298 1.00 32.21 C ATOM 1127 CG GLN A 75 2.172 2.836 -8.049 1.00 42.44 C ATOM 1128 CD GLN A 75 2.962 2.194 -9.184 1.00 21.31 C ATOM 1129 OE1 GLN A 75 2.509 2.147 -10.326 1.00 21.23 O ATOM 1130 NE2 GLN A 75 4.144 1.694 -8.879 1.00 21.45 N ATOM 0 H GLN A 75 -0.233 0.524 -5.835 1.00 64.11 H new ATOM 0 HA GLN A 75 0.959 3.030 -5.519 1.00 20.31 H new ATOM 0 HB2 GLN A 75 1.887 1.103 -6.803 1.00 32.21 H new ATOM 0 HB3 GLN A 75 0.648 1.315 -8.024 1.00 32.21 H new ATOM 0 HG2 GLN A 75 1.561 3.643 -8.453 1.00 42.44 H new ATOM 0 HG3 GLN A 75 2.868 3.286 -7.342 1.00 42.44 H new ATOM 0 HE21 GLN A 75 4.490 1.750 -7.921 1.00 21.45 H new ATOM 0 HE22 GLN A 75 4.712 1.251 -9.601 1.00 21.45 H new ATOM 1139 N ASN A 76 -1.477 3.052 -7.815 1.00 20.43 N ATOM 1140 CA ASN A 76 -2.413 3.912 -8.578 1.00 73.20 C ATOM 1141 C ASN A 76 -3.377 4.679 -7.646 1.00 14.23 C ATOM 1142 O ASN A 76 -3.708 5.840 -7.922 1.00 15.10 O ATOM 1143 CB ASN A 76 -3.223 3.093 -9.627 1.00 52.54 C ATOM 1144 CG ASN A 76 -2.363 2.574 -10.782 1.00 42.51 C ATOM 1145 OD1 ASN A 76 -2.065 3.311 -11.718 1.00 24.31 O ATOM 1146 ND2 ASN A 76 -1.998 1.301 -10.752 1.00 71.25 N ATOM 0 H ASN A 76 -1.553 2.062 -8.048 1.00 20.43 H new ATOM 0 HA ASN A 76 -1.800 4.640 -9.109 1.00 73.20 H new ATOM 0 HB2 ASN A 76 -3.700 2.248 -9.129 1.00 52.54 H new ATOM 0 HB3 ASN A 76 -4.021 3.718 -10.029 1.00 52.54 H new ATOM 0 HD21 ASN A 76 -1.454 0.908 -11.520 1.00 71.25 H new ATOM 0 HD22 ASN A 76 -2.261 0.714 -9.961 1.00 71.25 H new ATOM 1153 N MET A 77 -3.813 4.018 -6.545 1.00 65.40 N ATOM 1154 CA MET A 77 -4.670 4.649 -5.518 1.00 55.34 C ATOM 1155 C MET A 77 -3.958 5.887 -4.931 1.00 1.22 C ATOM 1156 O MET A 77 -4.456 7.007 -5.039 1.00 65.21 O ATOM 1157 CB MET A 77 -4.991 3.645 -4.379 1.00 52.13 C ATOM 1158 CG MET A 77 -5.819 4.228 -3.213 1.00 3.11 C ATOM 1159 SD MET A 77 -5.860 3.140 -1.773 1.00 0.13 S ATOM 1160 CE MET A 77 -4.120 3.089 -1.330 1.00 31.52 C ATOM 0 H MET A 77 -3.582 3.044 -6.348 1.00 65.40 H new ATOM 0 HA MET A 77 -5.605 4.954 -5.989 1.00 55.34 H new ATOM 0 HB2 MET A 77 -5.532 2.799 -4.802 1.00 52.13 H new ATOM 0 HB3 MET A 77 -4.053 3.257 -3.981 1.00 52.13 H new ATOM 0 HG2 MET A 77 -5.401 5.192 -2.923 1.00 3.11 H new ATOM 0 HG3 MET A 77 -6.838 4.412 -3.553 1.00 3.11 H new ATOM 0 HE1 MET A 77 -4.011 2.669 -0.330 1.00 31.52 H new ATOM 0 HE2 MET A 77 -3.581 2.468 -2.045 1.00 31.52 H new ATOM 0 HE3 MET A 77 -3.711 4.099 -1.346 1.00 31.52 H new ATOM 1170 N LEU A 78 -2.757 5.656 -4.363 1.00 3.24 N ATOM 1171 CA LEU A 78 -1.950 6.700 -3.701 1.00 53.44 C ATOM 1172 C LEU A 78 -1.504 7.789 -4.693 1.00 33.23 C ATOM 1173 O LEU A 78 -1.381 8.938 -4.314 1.00 63.32 O ATOM 1174 CB LEU A 78 -0.710 6.067 -3.015 1.00 34.31 C ATOM 1175 CG LEU A 78 -0.991 5.089 -1.835 1.00 61.24 C ATOM 1176 CD1 LEU A 78 0.293 4.387 -1.370 1.00 15.53 C ATOM 1177 CD2 LEU A 78 -1.675 5.816 -0.660 1.00 52.33 C ATOM 0 H LEU A 78 -2.318 4.735 -4.351 1.00 3.24 H new ATOM 0 HA LEU A 78 -2.579 7.172 -2.946 1.00 53.44 H new ATOM 0 HB2 LEU A 78 -0.137 5.532 -3.772 1.00 34.31 H new ATOM 0 HB3 LEU A 78 -0.076 6.873 -2.646 1.00 34.31 H new ATOM 0 HG LEU A 78 -1.674 4.323 -2.202 1.00 61.24 H new ATOM 0 HD11 LEU A 78 0.061 3.712 -0.546 1.00 15.53 H new ATOM 0 HD12 LEU A 78 0.716 3.817 -2.197 1.00 15.53 H new ATOM 0 HD13 LEU A 78 1.015 5.132 -1.036 1.00 15.53 H new ATOM 0 HD21 LEU A 78 -1.859 5.108 0.148 1.00 52.33 H new ATOM 0 HD22 LEU A 78 -1.028 6.617 -0.301 1.00 52.33 H new ATOM 0 HD23 LEU A 78 -2.623 6.238 -0.995 1.00 52.33 H new ATOM 1189 N GLN A 79 -1.292 7.406 -5.967 1.00 32.41 N ATOM 1190 CA GLN A 79 -0.825 8.323 -7.039 1.00 30.34 C ATOM 1191 C GLN A 79 -1.948 9.244 -7.544 1.00 1.05 C ATOM 1192 O GLN A 79 -1.662 10.309 -8.101 1.00 55.21 O ATOM 1193 CB GLN A 79 -0.216 7.529 -8.224 1.00 10.15 C ATOM 1194 CG GLN A 79 1.163 6.918 -7.920 1.00 11.45 C ATOM 1195 CD GLN A 79 1.795 6.185 -9.103 1.00 72.22 C ATOM 1196 OE1 GLN A 79 1.098 5.612 -9.939 1.00 32.24 O ATOM 1197 NE2 GLN A 79 3.119 6.192 -9.181 1.00 54.20 N ATOM 0 H GLN A 79 -1.439 6.449 -6.288 1.00 32.41 H new ATOM 0 HA GLN A 79 -0.051 8.952 -6.599 1.00 30.34 H new ATOM 0 HB2 GLN A 79 -0.903 6.730 -8.505 1.00 10.15 H new ATOM 0 HB3 GLN A 79 -0.128 8.191 -9.085 1.00 10.15 H new ATOM 0 HG2 GLN A 79 1.837 7.711 -7.596 1.00 11.45 H new ATOM 0 HG3 GLN A 79 1.065 6.223 -7.086 1.00 11.45 H new ATOM 0 HE21 GLN A 79 3.669 6.676 -8.472 1.00 54.20 H new ATOM 0 HE22 GLN A 79 3.587 5.713 -9.950 1.00 54.20 H new ATOM 1206 N PHE A 80 -3.211 8.814 -7.361 1.00 64.31 N ATOM 1207 CA PHE A 80 -4.392 9.607 -7.743 1.00 2.33 C ATOM 1208 C PHE A 80 -4.517 10.838 -6.821 1.00 61.22 C ATOM 1209 O PHE A 80 -4.725 11.964 -7.292 1.00 4.35 O ATOM 1210 CB PHE A 80 -5.673 8.727 -7.679 1.00 55.14 C ATOM 1211 CG PHE A 80 -6.988 9.479 -7.957 1.00 64.41 C ATOM 1212 CD1 PHE A 80 -7.309 9.910 -9.245 1.00 41.11 C ATOM 1213 CD2 PHE A 80 -7.894 9.754 -6.927 1.00 34.22 C ATOM 1214 CE1 PHE A 80 -8.486 10.591 -9.490 1.00 71.32 C ATOM 1215 CE2 PHE A 80 -9.068 10.433 -7.175 1.00 71.01 C ATOM 1216 CZ PHE A 80 -9.366 10.852 -8.457 1.00 61.14 C ATOM 0 H PHE A 80 -3.439 7.911 -6.946 1.00 64.31 H new ATOM 0 HA PHE A 80 -4.275 9.957 -8.769 1.00 2.33 H new ATOM 0 HB2 PHE A 80 -5.576 7.915 -8.400 1.00 55.14 H new ATOM 0 HB3 PHE A 80 -5.734 8.270 -6.691 1.00 55.14 H new ATOM 0 HD1 PHE A 80 -6.629 9.709 -10.060 1.00 41.11 H new ATOM 0 HD2 PHE A 80 -7.670 9.429 -5.922 1.00 34.22 H new ATOM 0 HE1 PHE A 80 -8.719 10.920 -10.492 1.00 71.32 H new ATOM 0 HE2 PHE A 80 -9.755 10.637 -6.367 1.00 71.01 H new ATOM 0 HZ PHE A 80 -10.286 11.383 -8.652 1.00 61.14 H new ATOM 1226 N TYR A 81 -4.361 10.600 -5.509 1.00 63.30 N ATOM 1227 CA TYR A 81 -4.524 11.636 -4.471 1.00 53.52 C ATOM 1228 C TYR A 81 -3.208 12.414 -4.262 1.00 14.34 C ATOM 1229 O TYR A 81 -3.217 13.636 -4.052 1.00 42.54 O ATOM 1230 CB TYR A 81 -4.971 10.981 -3.137 1.00 4.40 C ATOM 1231 CG TYR A 81 -6.274 10.167 -3.234 1.00 63.34 C ATOM 1232 CD1 TYR A 81 -7.519 10.792 -3.197 1.00 73.15 C ATOM 1233 CD2 TYR A 81 -6.253 8.780 -3.368 1.00 43.10 C ATOM 1234 CE1 TYR A 81 -8.688 10.065 -3.285 1.00 1.31 C ATOM 1235 CE2 TYR A 81 -7.412 8.051 -3.460 1.00 13.43 C ATOM 1236 CZ TYR A 81 -8.631 8.694 -3.419 1.00 14.53 C ATOM 1237 OH TYR A 81 -9.793 7.960 -3.508 1.00 32.50 O ATOM 0 H TYR A 81 -4.118 9.683 -5.135 1.00 63.30 H new ATOM 0 HA TYR A 81 -5.289 12.338 -4.801 1.00 53.52 H new ATOM 0 HB2 TYR A 81 -4.174 10.327 -2.782 1.00 4.40 H new ATOM 0 HB3 TYR A 81 -5.100 11.762 -2.388 1.00 4.40 H new ATOM 0 HD1 TYR A 81 -7.570 11.866 -3.098 1.00 73.15 H new ATOM 0 HD2 TYR A 81 -5.303 8.267 -3.400 1.00 43.10 H new ATOM 0 HE1 TYR A 81 -9.643 10.567 -3.249 1.00 1.31 H new ATOM 0 HE2 TYR A 81 -7.369 6.977 -3.564 1.00 13.43 H new ATOM 0 HH TYR A 81 -9.573 7.009 -3.599 1.00 32.50 H new ATOM 1247 N ILE A 82 -2.082 11.684 -4.337 1.00 21.22 N ATOM 1248 CA ILE A 82 -0.743 12.186 -3.967 1.00 32.24 C ATOM 1249 C ILE A 82 0.228 12.014 -5.159 1.00 24.02 C ATOM 1250 O ILE A 82 0.620 10.884 -5.473 1.00 53.02 O ATOM 1251 CB ILE A 82 -0.177 11.406 -2.720 1.00 61.24 C ATOM 1252 CG1 ILE A 82 -1.210 11.385 -1.550 1.00 41.31 C ATOM 1253 CG2 ILE A 82 1.179 11.993 -2.259 1.00 11.14 C ATOM 1254 CD1 ILE A 82 -0.829 10.473 -0.401 1.00 1.44 C ATOM 0 H ILE A 82 -2.074 10.717 -4.660 1.00 21.22 H new ATOM 0 HA ILE A 82 -0.833 13.242 -3.711 1.00 32.24 H new ATOM 0 HB ILE A 82 -0.003 10.375 -3.027 1.00 61.24 H new ATOM 0 HG12 ILE A 82 -1.331 12.399 -1.169 1.00 41.31 H new ATOM 0 HG13 ILE A 82 -2.179 11.073 -1.941 1.00 41.31 H new ATOM 0 HG21 ILE A 82 1.543 11.434 -1.397 1.00 11.14 H new ATOM 0 HG22 ILE A 82 1.902 11.920 -3.071 1.00 11.14 H new ATOM 0 HG23 ILE A 82 1.048 13.039 -1.983 1.00 11.14 H new ATOM 0 HD11 ILE A 82 -1.599 10.517 0.369 1.00 1.44 H new ATOM 0 HD12 ILE A 82 -0.737 9.449 -0.764 1.00 1.44 H new ATOM 0 HD13 ILE A 82 0.123 10.796 0.020 1.00 1.44 H new ATOM 1266 N PRO A 83 0.632 13.128 -5.851 1.00 53.44 N ATOM 1267 CA PRO A 83 1.639 13.070 -6.940 1.00 24.03 C ATOM 1268 C PRO A 83 3.085 12.866 -6.424 1.00 20.11 C ATOM 1269 O PRO A 83 4.006 12.716 -7.221 1.00 22.52 O ATOM 1270 CB PRO A 83 1.456 14.437 -7.646 1.00 61.34 C ATOM 1271 CG PRO A 83 0.982 15.365 -6.564 1.00 31.22 C ATOM 1272 CD PRO A 83 0.112 14.515 -5.652 1.00 12.42 C ATOM 0 HA PRO A 83 1.491 12.216 -7.601 1.00 24.03 H new ATOM 0 HB2 PRO A 83 2.392 14.785 -8.084 1.00 61.34 H new ATOM 0 HB3 PRO A 83 0.730 14.370 -8.456 1.00 61.34 H new ATOM 0 HG2 PRO A 83 1.823 15.793 -6.018 1.00 31.22 H new ATOM 0 HG3 PRO A 83 0.416 16.198 -6.981 1.00 31.22 H new ATOM 0 HD2 PRO A 83 0.198 14.829 -4.612 1.00 12.42 H new ATOM 0 HD3 PRO A 83 -0.942 14.589 -5.921 1.00 12.42 H new ATOM 1280 N GLU A 84 3.271 12.865 -5.087 1.00 44.44 N ATOM 1281 CA GLU A 84 4.581 12.594 -4.456 1.00 25.10 C ATOM 1282 C GLU A 84 4.893 11.079 -4.437 1.00 42.01 C ATOM 1283 O GLU A 84 6.025 10.688 -4.147 1.00 14.43 O ATOM 1284 CB GLU A 84 4.646 13.169 -3.008 1.00 23.21 C ATOM 1285 CG GLU A 84 4.688 14.717 -2.891 1.00 44.52 C ATOM 1286 CD GLU A 84 3.450 15.446 -3.449 1.00 53.52 C ATOM 1287 OE1 GLU A 84 2.331 15.200 -2.953 1.00 52.12 O ATOM 1288 OE2 GLU A 84 3.595 16.268 -4.384 1.00 74.12 O ATOM 0 H GLU A 84 2.523 13.051 -4.418 1.00 44.44 H new ATOM 0 HA GLU A 84 5.336 13.096 -5.061 1.00 25.10 H new ATOM 0 HB2 GLU A 84 3.780 12.806 -2.455 1.00 23.21 H new ATOM 0 HB3 GLU A 84 5.530 12.763 -2.517 1.00 23.21 H new ATOM 0 HG2 GLU A 84 4.806 14.984 -1.841 1.00 44.52 H new ATOM 0 HG3 GLU A 84 5.572 15.082 -3.414 1.00 44.52 H new ATOM 1295 N VAL A 85 3.891 10.230 -4.721 1.00 40.34 N ATOM 1296 CA VAL A 85 4.079 8.773 -4.773 1.00 61.20 C ATOM 1297 C VAL A 85 4.603 8.365 -6.162 1.00 5.01 C ATOM 1298 O VAL A 85 3.869 8.398 -7.151 1.00 30.44 O ATOM 1299 CB VAL A 85 2.749 8.010 -4.417 1.00 14.03 C ATOM 1300 CG1 VAL A 85 2.925 6.470 -4.506 1.00 42.31 C ATOM 1301 CG2 VAL A 85 2.253 8.425 -3.006 1.00 30.44 C ATOM 0 H VAL A 85 2.937 10.532 -4.919 1.00 40.34 H new ATOM 0 HA VAL A 85 4.819 8.491 -4.024 1.00 61.20 H new ATOM 0 HB VAL A 85 1.997 8.292 -5.154 1.00 14.03 H new ATOM 0 HG11 VAL A 85 1.984 5.981 -4.253 1.00 42.31 H new ATOM 0 HG12 VAL A 85 3.216 6.195 -5.520 1.00 42.31 H new ATOM 0 HG13 VAL A 85 3.699 6.151 -3.808 1.00 42.31 H new ATOM 0 HG21 VAL A 85 1.333 7.890 -2.772 1.00 30.44 H new ATOM 0 HG22 VAL A 85 3.014 8.178 -2.266 1.00 30.44 H new ATOM 0 HG23 VAL A 85 2.064 9.498 -2.988 1.00 30.44 H new ATOM 1311 N GLU A 86 5.904 8.049 -6.218 1.00 1.00 N ATOM 1312 CA GLU A 86 6.562 7.473 -7.403 1.00 64.54 C ATOM 1313 C GLU A 86 6.155 6.000 -7.585 1.00 70.23 C ATOM 1314 O GLU A 86 5.989 5.527 -8.714 1.00 1.12 O ATOM 1315 CB GLU A 86 8.106 7.592 -7.262 1.00 43.42 C ATOM 1316 CG GLU A 86 8.640 9.044 -7.281 1.00 22.21 C ATOM 1317 CD GLU A 86 8.418 9.752 -8.631 1.00 53.24 C ATOM 1318 OE1 GLU A 86 9.068 9.354 -9.624 1.00 74.23 O ATOM 1319 OE2 GLU A 86 7.582 10.680 -8.719 1.00 70.15 O ATOM 0 H GLU A 86 6.539 8.187 -5.432 1.00 1.00 H new ATOM 0 HA GLU A 86 6.242 8.028 -8.285 1.00 64.54 H new ATOM 0 HB2 GLU A 86 8.411 7.118 -6.329 1.00 43.42 H new ATOM 0 HB3 GLU A 86 8.577 7.034 -8.072 1.00 43.42 H new ATOM 0 HG2 GLU A 86 8.150 9.615 -6.493 1.00 22.21 H new ATOM 0 HG3 GLU A 86 9.706 9.036 -7.053 1.00 22.21 H new ATOM 1326 N GLY A 87 5.985 5.297 -6.457 1.00 55.52 N ATOM 1327 CA GLY A 87 5.622 3.886 -6.465 1.00 52.10 C ATOM 1328 C GLY A 87 5.478 3.315 -5.066 1.00 64.31 C ATOM 1329 O GLY A 87 5.483 4.058 -4.079 1.00 63.11 O ATOM 0 H GLY A 87 6.096 5.693 -5.523 1.00 55.52 H new ATOM 0 HA2 GLY A 87 4.683 3.759 -7.004 1.00 52.10 H new ATOM 0 HA3 GLY A 87 6.381 3.322 -7.008 1.00 52.10 H new ATOM 1333 N VAL A 88 5.341 1.981 -5.000 1.00 62.21 N ATOM 1334 CA VAL A 88 5.196 1.200 -3.749 1.00 44.01 C ATOM 1335 C VAL A 88 6.196 0.014 -3.785 1.00 25.34 C ATOM 1336 O VAL A 88 6.522 -0.488 -4.867 1.00 55.13 O ATOM 1337 CB VAL A 88 3.698 0.681 -3.576 1.00 43.12 C ATOM 1338 CG1 VAL A 88 3.528 -0.269 -2.359 1.00 44.55 C ATOM 1339 CG2 VAL A 88 2.705 1.872 -3.470 1.00 3.12 C ATOM 0 H VAL A 88 5.327 1.395 -5.835 1.00 62.21 H new ATOM 0 HA VAL A 88 5.419 1.836 -2.892 1.00 44.01 H new ATOM 0 HB VAL A 88 3.468 0.103 -4.471 1.00 43.12 H new ATOM 0 HG11 VAL A 88 2.489 -0.590 -2.291 1.00 44.55 H new ATOM 0 HG12 VAL A 88 4.170 -1.141 -2.485 1.00 44.55 H new ATOM 0 HG13 VAL A 88 3.806 0.257 -1.445 1.00 44.55 H new ATOM 0 HG21 VAL A 88 1.691 1.491 -3.353 1.00 3.12 H new ATOM 0 HG22 VAL A 88 2.964 2.486 -2.607 1.00 3.12 H new ATOM 0 HG23 VAL A 88 2.763 2.476 -4.376 1.00 3.12 H new ATOM 1349 N GLU A 89 6.690 -0.419 -2.608 1.00 75.14 N ATOM 1350 CA GLU A 89 7.640 -1.550 -2.491 1.00 74.11 C ATOM 1351 C GLU A 89 7.259 -2.449 -1.296 1.00 63.31 C ATOM 1352 O GLU A 89 6.703 -1.968 -0.302 1.00 71.42 O ATOM 1353 CB GLU A 89 9.094 -1.021 -2.336 1.00 5.11 C ATOM 1354 CG GLU A 89 10.189 -2.107 -2.349 1.00 12.25 C ATOM 1355 CD GLU A 89 11.595 -1.522 -2.164 1.00 55.22 C ATOM 1356 OE1 GLU A 89 12.209 -1.087 -3.163 1.00 31.22 O ATOM 1357 OE2 GLU A 89 12.086 -1.474 -1.013 1.00 33.11 O ATOM 0 H GLU A 89 6.444 0.002 -1.712 1.00 75.14 H new ATOM 0 HA GLU A 89 7.586 -2.147 -3.402 1.00 74.11 H new ATOM 0 HB2 GLU A 89 9.295 -0.314 -3.141 1.00 5.11 H new ATOM 0 HB3 GLU A 89 9.165 -0.466 -1.400 1.00 5.11 H new ATOM 0 HG2 GLU A 89 9.991 -2.828 -1.556 1.00 12.25 H new ATOM 0 HG3 GLU A 89 10.146 -2.651 -3.292 1.00 12.25 H new ATOM 1364 N GLN A 90 7.570 -3.754 -1.416 1.00 75.20 N ATOM 1365 CA GLN A 90 7.369 -4.748 -0.345 1.00 21.01 C ATOM 1366 C GLN A 90 8.592 -4.737 0.593 1.00 30.44 C ATOM 1367 O GLN A 90 9.728 -4.817 0.122 1.00 33.40 O ATOM 1368 CB GLN A 90 7.177 -6.169 -0.954 1.00 24.35 C ATOM 1369 CG GLN A 90 7.075 -7.312 0.089 1.00 32.24 C ATOM 1370 CD GLN A 90 7.046 -8.710 -0.527 1.00 0.52 C ATOM 1371 OE1 GLN A 90 7.587 -8.940 -1.607 1.00 32.43 O ATOM 1372 NE2 GLN A 90 6.436 -9.661 0.166 1.00 21.35 N ATOM 0 H GLN A 90 7.971 -4.151 -2.266 1.00 75.20 H new ATOM 0 HA GLN A 90 6.473 -4.491 0.220 1.00 21.01 H new ATOM 0 HB2 GLN A 90 6.273 -6.169 -1.563 1.00 24.35 H new ATOM 0 HB3 GLN A 90 8.012 -6.379 -1.623 1.00 24.35 H new ATOM 0 HG2 GLN A 90 7.922 -7.244 0.772 1.00 32.24 H new ATOM 0 HG3 GLN A 90 6.173 -7.169 0.684 1.00 32.24 H new ATOM 0 HE21 GLN A 90 5.996 -9.439 1.059 1.00 21.35 H new ATOM 0 HE22 GLN A 90 6.406 -10.615 -0.194 1.00 21.35 H new ATOM 1381 N VAL A 91 8.333 -4.594 1.908 1.00 42.12 N ATOM 1382 CA VAL A 91 9.336 -4.692 2.993 1.00 74.52 C ATOM 1383 C VAL A 91 8.677 -5.382 4.213 1.00 32.45 C ATOM 1384 O VAL A 91 7.805 -4.802 4.859 1.00 2.22 O ATOM 1385 CB VAL A 91 9.884 -3.265 3.427 1.00 14.31 C ATOM 1386 CG1 VAL A 91 10.955 -2.725 2.455 1.00 1.11 C ATOM 1387 CG2 VAL A 91 8.732 -2.247 3.546 1.00 60.23 C ATOM 0 H VAL A 91 7.394 -4.402 2.257 1.00 42.12 H new ATOM 0 HA VAL A 91 10.183 -5.272 2.626 1.00 74.52 H new ATOM 0 HB VAL A 91 10.354 -3.397 4.401 1.00 14.31 H new ATOM 0 HG11 VAL A 91 11.297 -1.748 2.796 1.00 1.11 H new ATOM 0 HG12 VAL A 91 11.799 -3.414 2.424 1.00 1.11 H new ATOM 0 HG13 VAL A 91 10.527 -2.631 1.457 1.00 1.11 H new ATOM 0 HG21 VAL A 91 9.132 -1.278 3.844 1.00 60.23 H new ATOM 0 HG22 VAL A 91 8.230 -2.152 2.583 1.00 60.23 H new ATOM 0 HG23 VAL A 91 8.018 -2.591 4.295 1.00 60.23 H new