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+ 151:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.708 K(o=0.0063,f=-7.5!) USER MOD Set 1.3: A 75 GLN : amide:sc= -1.96! K(o=0.0063!,f=0.76) USER MOD Set 2.1: A 61 THR OG1 : rot -33:sc= -0.492 USER MOD Set 2.2: A 90 GLN : amide:sc= -1.29 K(o=-1.8,f=0.78) USER MOD Single : A 22 MET CE :methyl -160:sc= -0.151 (180deg=-0.628) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -75:sc= 0.401 USER MOD Single : A 34 THR OG1 : rot 106:sc= 0.564 USER MOD Single : A 36 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.27) USER MOD Single : A 44 TYR OH : rot -129:sc= -0.692 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.958 X(o=-0.96,f=-0.59) USER MOD Single : A 59 SER OG : rot 108:sc= 0.0699 USER MOD Single : A 60 CYS SG : rot 2:sc= -3.35! USER MOD Single : A 62 SER OG : rot -160:sc= 0.346 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= -0.228 USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.11 USER MOD Single : A 76 ASN : amide:sc= -1.79! K(o=-1.8!,f=-0.019) USER MOD Single : A 77 MET CE :methyl 159:sc= -0.694 (180deg=-2.46!) USER MOD Single : A 79 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.47) USER MOD Single : A 81 TYR OH : rot 120:sc= 0.516 USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 4.135 14.607 7.146 1.00 22.24 N ATOM 242 CA ASP A 17 3.185 13.781 7.918 1.00 62.35 C ATOM 243 C ASP A 17 1.743 13.941 7.387 1.00 13.21 C ATOM 244 O ASP A 17 0.885 13.128 7.706 1.00 64.51 O ATOM 245 CB ASP A 17 3.255 14.113 9.435 1.00 74.15 C ATOM 246 CG ASP A 17 2.664 15.490 9.792 1.00 63.13 C ATOM 247 OD1 ASP A 17 3.314 16.516 9.513 1.00 50.51 O ATOM 248 OD2 ASP A 17 1.542 15.553 10.342 1.00 22.54 O ATOM 0 HA ASP A 17 3.476 12.739 7.788 1.00 62.35 H new ATOM 0 HB2 ASP A 17 2.722 13.343 9.992 1.00 74.15 H new ATOM 0 HB3 ASP A 17 4.295 14.078 9.759 1.00 74.15 H new ATOM 253 N GLY A 18 1.500 15.003 6.584 1.00 13.14 N ATOM 254 CA GLY A 18 0.223 15.202 5.895 1.00 64.51 C ATOM 255 C GLY A 18 -0.046 14.097 4.875 1.00 4.43 C ATOM 256 O GLY A 18 -1.113 13.468 4.891 1.00 75.20 O ATOM 0 H GLY A 18 2.185 15.737 6.402 1.00 13.14 H new ATOM 0 HA2 GLY A 18 -0.585 15.227 6.626 1.00 64.51 H new ATOM 0 HA3 GLY A 18 0.228 16.169 5.392 1.00 64.51 H new ATOM 260 N VAL A 19 0.956 13.850 4.005 1.00 74.03 N ATOM 261 CA VAL A 19 0.931 12.748 3.026 1.00 75.21 C ATOM 262 C VAL A 19 0.910 11.392 3.755 1.00 65.40 C ATOM 263 O VAL A 19 0.042 10.561 3.494 1.00 1.55 O ATOM 264 CB VAL A 19 2.162 12.824 2.033 1.00 44.21 C ATOM 265 CG1 VAL A 19 2.337 11.515 1.221 1.00 21.41 C ATOM 266 CG2 VAL A 19 2.028 14.037 1.074 1.00 4.44 C ATOM 0 H VAL A 19 1.806 14.412 3.963 1.00 74.03 H new ATOM 0 HA VAL A 19 0.022 12.847 2.432 1.00 75.21 H new ATOM 0 HB VAL A 19 3.055 12.956 2.645 1.00 44.21 H new ATOM 0 HG11 VAL A 19 3.193 11.613 0.553 1.00 21.41 H new ATOM 0 HG12 VAL A 19 2.503 10.682 1.904 1.00 21.41 H new ATOM 0 HG13 VAL A 19 1.438 11.328 0.634 1.00 21.41 H new ATOM 0 HG21 VAL A 19 2.886 14.066 0.402 1.00 4.44 H new ATOM 0 HG22 VAL A 19 1.113 13.940 0.490 1.00 4.44 H new ATOM 0 HG23 VAL A 19 1.991 14.958 1.656 1.00 4.44 H new ATOM 276 N VAL A 20 1.861 11.216 4.691 1.00 71.33 N ATOM 277 CA VAL A 20 2.059 9.964 5.463 1.00 11.24 C ATOM 278 C VAL A 20 0.753 9.494 6.153 1.00 31.10 C ATOM 279 O VAL A 20 0.366 8.317 6.046 1.00 74.21 O ATOM 280 CB VAL A 20 3.223 10.164 6.525 1.00 22.13 C ATOM 281 CG1 VAL A 20 3.310 9.006 7.544 1.00 34.33 C ATOM 282 CG2 VAL A 20 4.593 10.359 5.816 1.00 13.34 C ATOM 0 H VAL A 20 2.526 11.948 4.940 1.00 71.33 H new ATOM 0 HA VAL A 20 2.346 9.179 4.763 1.00 11.24 H new ATOM 0 HB VAL A 20 2.977 11.066 7.085 1.00 22.13 H new ATOM 0 HG11 VAL A 20 4.123 9.198 8.244 1.00 34.33 H new ATOM 0 HG12 VAL A 20 2.370 8.931 8.091 1.00 34.33 H new ATOM 0 HG13 VAL A 20 3.498 8.071 7.017 1.00 34.33 H new ATOM 0 HG21 VAL A 20 5.374 10.494 6.564 1.00 13.34 H new ATOM 0 HG22 VAL A 20 4.818 9.481 5.211 1.00 13.34 H new ATOM 0 HG23 VAL A 20 4.549 11.239 5.175 1.00 13.34 H new ATOM 292 N ALA A 21 0.060 10.448 6.801 1.00 51.32 N ATOM 293 CA ALA A 21 -1.175 10.185 7.568 1.00 21.04 C ATOM 294 C ALA A 21 -2.340 9.781 6.654 1.00 21.14 C ATOM 295 O ALA A 21 -3.102 8.864 6.985 1.00 32.12 O ATOM 296 CB ALA A 21 -1.563 11.413 8.413 1.00 24.23 C ATOM 0 H ALA A 21 0.341 11.428 6.808 1.00 51.32 H new ATOM 0 HA ALA A 21 -0.969 9.347 8.234 1.00 21.04 H new ATOM 0 HB1 ALA A 21 -2.475 11.198 8.970 1.00 24.23 H new ATOM 0 HB2 ALA A 21 -0.758 11.644 9.111 1.00 24.23 H new ATOM 0 HB3 ALA A 21 -1.731 12.267 7.757 1.00 24.23 H new ATOM 302 N MET A 22 -2.479 10.464 5.495 1.00 13.01 N ATOM 303 CA MET A 22 -3.576 10.167 4.557 1.00 35.11 C ATOM 304 C MET A 22 -3.307 8.860 3.792 1.00 44.03 C ATOM 305 O MET A 22 -4.248 8.233 3.331 1.00 1.42 O ATOM 306 CB MET A 22 -3.881 11.345 3.585 1.00 1.52 C ATOM 307 CG MET A 22 -2.791 11.666 2.563 1.00 60.24 C ATOM 308 SD MET A 22 -3.286 12.941 1.377 1.00 13.34 S ATOM 309 CE MET A 22 -4.684 12.165 0.549 1.00 73.14 C ATOM 0 H MET A 22 -1.854 11.212 5.194 1.00 13.01 H new ATOM 0 HA MET A 22 -4.475 10.033 5.159 1.00 35.11 H new ATOM 0 HB2 MET A 22 -4.801 11.118 3.047 1.00 1.52 H new ATOM 0 HB3 MET A 22 -4.071 12.240 4.178 1.00 1.52 H new ATOM 0 HG2 MET A 22 -1.894 11.995 3.088 1.00 60.24 H new ATOM 0 HG3 MET A 22 -2.529 10.757 2.022 1.00 60.24 H new ATOM 0 HE1 MET A 22 -4.858 12.655 -0.409 1.00 73.14 H new ATOM 0 HE2 MET A 22 -4.468 11.110 0.383 1.00 73.14 H new ATOM 0 HE3 MET A 22 -5.574 12.260 1.171 1.00 73.14 H new ATOM 319 N ILE A 23 -2.020 8.435 3.678 1.00 33.33 N ATOM 320 CA ILE A 23 -1.683 7.099 3.136 1.00 11.51 C ATOM 321 C ILE A 23 -2.192 6.025 4.105 1.00 52.51 C ATOM 322 O ILE A 23 -2.814 5.056 3.673 1.00 35.43 O ATOM 323 CB ILE A 23 -0.136 6.884 2.886 1.00 12.22 C ATOM 324 CG1 ILE A 23 0.412 7.881 1.821 1.00 33.51 C ATOM 325 CG2 ILE A 23 0.169 5.420 2.457 1.00 34.45 C ATOM 326 CD1 ILE A 23 1.917 7.803 1.575 1.00 45.44 C ATOM 0 H ILE A 23 -1.211 8.993 3.951 1.00 33.33 H new ATOM 0 HA ILE A 23 -2.168 7.022 2.163 1.00 11.51 H new ATOM 0 HB ILE A 23 0.371 7.079 3.831 1.00 12.22 H new ATOM 0 HG12 ILE A 23 -0.104 7.701 0.878 1.00 33.51 H new ATOM 0 HG13 ILE A 23 0.163 8.895 2.133 1.00 33.51 H new ATOM 0 HG21 ILE A 23 1.240 5.305 2.293 1.00 34.45 H new ATOM 0 HG22 ILE A 23 -0.153 4.736 3.242 1.00 34.45 H new ATOM 0 HG23 ILE A 23 -0.366 5.192 1.535 1.00 34.45 H new ATOM 0 HD11 ILE A 23 2.200 8.535 0.819 1.00 45.44 H new ATOM 0 HD12 ILE A 23 2.449 8.015 2.502 1.00 45.44 H new ATOM 0 HD13 ILE A 23 2.178 6.803 1.228 1.00 45.44 H new ATOM 338 N LYS A 24 -1.945 6.241 5.420 1.00 20.25 N ATOM 339 CA LYS A 24 -2.392 5.327 6.496 1.00 44.15 C ATOM 340 C LYS A 24 -3.895 5.031 6.410 1.00 14.25 C ATOM 341 O LYS A 24 -4.302 3.878 6.554 1.00 65.23 O ATOM 342 CB LYS A 24 -2.069 5.913 7.895 1.00 75.21 C ATOM 343 CG LYS A 24 -0.570 6.061 8.210 1.00 54.34 C ATOM 344 CD LYS A 24 -0.332 6.597 9.638 1.00 40.54 C ATOM 345 CE LYS A 24 1.155 6.707 9.988 1.00 54.32 C ATOM 346 NZ LYS A 24 1.359 7.169 11.383 1.00 0.21 N ATOM 0 H LYS A 24 -1.431 7.053 5.763 1.00 20.25 H new ATOM 0 HA LYS A 24 -1.846 4.394 6.357 1.00 44.15 H new ATOM 0 HB2 LYS A 24 -2.541 6.892 7.979 1.00 75.21 H new ATOM 0 HB3 LYS A 24 -2.522 5.274 8.653 1.00 75.21 H new ATOM 0 HG2 LYS A 24 -0.078 5.095 8.098 1.00 54.34 H new ATOM 0 HG3 LYS A 24 -0.112 6.737 7.488 1.00 54.34 H new ATOM 0 HD2 LYS A 24 -0.798 7.578 9.736 1.00 40.54 H new ATOM 0 HD3 LYS A 24 -0.822 5.939 10.355 1.00 40.54 H new ATOM 0 HE2 LYS A 24 1.633 5.737 9.853 1.00 54.32 H new ATOM 0 HE3 LYS A 24 1.640 7.400 9.301 1.00 54.32 H new ATOM 0 HZ1 LYS A 24 2.378 7.231 11.583 1.00 0.21 H new ATOM 0 HZ2 LYS A 24 0.924 8.106 11.505 1.00 0.21 H new ATOM 0 HZ3 LYS A 24 0.918 6.494 12.040 1.00 0.21 H new ATOM 360 N GLU A 25 -4.709 6.083 6.157 1.00 33.22 N ATOM 361 CA GLU A 25 -6.169 5.940 6.059 1.00 32.41 C ATOM 362 C GLU A 25 -6.544 5.296 4.706 1.00 3.30 C ATOM 363 O GLU A 25 -7.394 4.434 4.679 1.00 71.11 O ATOM 364 CB GLU A 25 -6.908 7.301 6.282 1.00 10.44 C ATOM 365 CG GLU A 25 -7.008 8.232 5.061 1.00 63.24 C ATOM 366 CD GLU A 25 -7.514 9.641 5.408 1.00 62.44 C ATOM 367 OE1 GLU A 25 -6.734 10.440 5.979 1.00 51.42 O ATOM 368 OE2 GLU A 25 -8.686 9.962 5.127 1.00 55.14 O ATOM 0 H GLU A 25 -4.373 7.036 6.018 1.00 33.22 H new ATOM 0 HA GLU A 25 -6.503 5.280 6.859 1.00 32.41 H new ATOM 0 HB2 GLU A 25 -7.918 7.088 6.633 1.00 10.44 H new ATOM 0 HB3 GLU A 25 -6.399 7.839 7.082 1.00 10.44 H new ATOM 0 HG2 GLU A 25 -6.027 8.311 4.593 1.00 63.24 H new ATOM 0 HG3 GLU A 25 -7.677 7.784 4.326 1.00 63.24 H new ATOM 375 N LEU A 26 -5.859 5.693 3.597 1.00 61.43 N ATOM 376 CA LEU A 26 -6.088 5.128 2.237 1.00 60.30 C ATOM 377 C LEU A 26 -5.824 3.606 2.214 1.00 64.43 C ATOM 378 O LEU A 26 -6.435 2.874 1.439 1.00 4.30 O ATOM 379 CB LEU A 26 -5.199 5.859 1.178 1.00 71.13 C ATOM 380 CG LEU A 26 -5.658 7.298 0.751 1.00 13.15 C ATOM 381 CD1 LEU A 26 -4.594 8.008 -0.117 1.00 40.01 C ATOM 382 CD2 LEU A 26 -7.015 7.259 0.018 1.00 23.12 C ATOM 0 H LEU A 26 -5.135 6.411 3.621 1.00 61.43 H new ATOM 0 HA LEU A 26 -7.134 5.291 1.979 1.00 60.30 H new ATOM 0 HB2 LEU A 26 -4.185 5.927 1.573 1.00 71.13 H new ATOM 0 HB3 LEU A 26 -5.152 5.237 0.284 1.00 71.13 H new ATOM 0 HG LEU A 26 -5.779 7.876 1.667 1.00 13.15 H new ATOM 0 HD11 LEU A 26 -4.951 9.001 -0.391 1.00 40.01 H new ATOM 0 HD12 LEU A 26 -3.666 8.099 0.447 1.00 40.01 H new ATOM 0 HD13 LEU A 26 -4.414 7.425 -1.020 1.00 40.01 H new ATOM 0 HD21 LEU A 26 -7.305 8.271 -0.265 1.00 23.12 H new ATOM 0 HD22 LEU A 26 -6.927 6.643 -0.877 1.00 23.12 H new ATOM 0 HD23 LEU A 26 -7.773 6.835 0.677 1.00 23.12 H new ATOM 394 N LEU A 27 -4.913 3.143 3.083 1.00 10.24 N ATOM 395 CA LEU A 27 -4.660 1.718 3.295 1.00 22.41 C ATOM 396 C LEU A 27 -5.780 1.130 4.158 1.00 73.32 C ATOM 397 O LEU A 27 -6.489 0.236 3.731 1.00 70.44 O ATOM 398 CB LEU A 27 -3.284 1.503 3.979 1.00 45.44 C ATOM 399 CG LEU A 27 -2.037 1.999 3.184 1.00 54.45 C ATOM 400 CD1 LEU A 27 -0.755 1.870 4.023 1.00 44.43 C ATOM 401 CD2 LEU A 27 -1.901 1.265 1.831 1.00 42.23 C ATOM 0 H LEU A 27 -4.331 3.752 3.658 1.00 10.24 H new ATOM 0 HA LEU A 27 -4.640 1.211 2.330 1.00 22.41 H new ATOM 0 HB2 LEU A 27 -3.298 2.008 4.945 1.00 45.44 H new ATOM 0 HB3 LEU A 27 -3.163 0.438 4.178 1.00 45.44 H new ATOM 0 HG LEU A 27 -2.185 3.057 2.967 1.00 54.45 H new ATOM 0 HD11 LEU A 27 0.097 2.223 3.442 1.00 44.43 H new ATOM 0 HD12 LEU A 27 -0.851 2.469 4.928 1.00 44.43 H new ATOM 0 HD13 LEU A 27 -0.601 0.826 4.294 1.00 44.43 H new ATOM 0 HD21 LEU A 27 -1.022 1.635 1.303 1.00 42.23 H new ATOM 0 HD22 LEU A 27 -1.795 0.195 2.007 1.00 42.23 H new ATOM 0 HD23 LEU A 27 -2.790 1.447 1.227 1.00 42.23 H new ATOM 413 N ASP A 28 -5.967 1.710 5.350 1.00 55.22 N ATOM 414 CA ASP A 28 -6.840 1.150 6.407 1.00 1.34 C ATOM 415 C ASP A 28 -8.309 1.000 5.961 1.00 51.42 C ATOM 416 O ASP A 28 -8.997 0.069 6.377 1.00 32.21 O ATOM 417 CB ASP A 28 -6.740 2.022 7.678 1.00 71.43 C ATOM 418 CG ASP A 28 -7.457 1.414 8.892 1.00 0.12 C ATOM 419 OD1 ASP A 28 -6.990 0.374 9.407 1.00 10.12 O ATOM 420 OD2 ASP A 28 -8.474 1.974 9.344 1.00 23.31 O ATOM 0 H ASP A 28 -5.518 2.586 5.617 1.00 55.22 H new ATOM 0 HA ASP A 28 -6.485 0.142 6.622 1.00 1.34 H new ATOM 0 HB2 ASP A 28 -5.689 2.173 7.924 1.00 71.43 H new ATOM 0 HB3 ASP A 28 -7.163 3.005 7.470 1.00 71.43 H new ATOM 425 N THR A 29 -8.762 1.909 5.092 1.00 43.23 N ATOM 426 CA THR A 29 -10.149 1.948 4.596 1.00 52.52 C ATOM 427 C THR A 29 -10.311 1.111 3.305 1.00 41.22 C ATOM 428 O THR A 29 -11.242 0.309 3.187 1.00 73.14 O ATOM 429 CB THR A 29 -10.595 3.433 4.331 1.00 3.41 C ATOM 430 OG1 THR A 29 -9.715 4.041 3.374 1.00 40.51 O ATOM 431 CG2 THR A 29 -10.608 4.280 5.624 1.00 11.03 C ATOM 0 H THR A 29 -8.173 2.648 4.707 1.00 43.23 H new ATOM 0 HA THR A 29 -10.787 1.513 5.365 1.00 52.52 H new ATOM 0 HB THR A 29 -11.613 3.401 3.943 1.00 3.41 H new ATOM 0 HG1 THR A 29 -8.861 4.256 3.805 1.00 40.51 H new ATOM 0 HG21 THR A 29 -10.922 5.297 5.390 1.00 11.03 H new ATOM 0 HG22 THR A 29 -11.303 3.841 6.339 1.00 11.03 H new ATOM 0 HG23 THR A 29 -9.607 4.300 6.056 1.00 11.03 H new ATOM 439 N ARG A 30 -9.387 1.294 2.346 1.00 24.12 N ATOM 440 CA ARG A 30 -9.537 0.768 0.964 1.00 21.34 C ATOM 441 C ARG A 30 -8.762 -0.548 0.749 1.00 64.43 C ATOM 442 O ARG A 30 -9.310 -1.511 0.203 1.00 51.44 O ATOM 443 CB ARG A 30 -9.060 1.844 -0.043 1.00 53.13 C ATOM 444 CG ARG A 30 -9.741 3.217 0.139 1.00 12.04 C ATOM 445 CD ARG A 30 -9.103 4.326 -0.705 1.00 64.34 C ATOM 446 NE ARG A 30 -9.246 4.092 -2.160 1.00 22.34 N ATOM 447 CZ ARG A 30 -9.810 4.951 -3.021 1.00 73.41 C ATOM 448 NH1 ARG A 30 -10.301 6.104 -2.603 1.00 62.13 N ATOM 449 NH2 ARG A 30 -9.864 4.656 -4.311 1.00 4.50 N ATOM 0 H ARG A 30 -8.518 1.806 2.498 1.00 24.12 H new ATOM 0 HA ARG A 30 -10.591 0.542 0.802 1.00 21.34 H new ATOM 0 HB2 ARG A 30 -7.982 1.968 0.057 1.00 53.13 H new ATOM 0 HB3 ARG A 30 -9.247 1.488 -1.056 1.00 53.13 H new ATOM 0 HG2 ARG A 30 -10.795 3.130 -0.125 1.00 12.04 H new ATOM 0 HG3 ARG A 30 -9.698 3.500 1.191 1.00 12.04 H new ATOM 0 HD2 ARG A 30 -9.561 5.281 -0.448 1.00 64.34 H new ATOM 0 HD3 ARG A 30 -8.045 4.403 -0.456 1.00 64.34 H new ATOM 0 HE ARG A 30 -8.889 3.213 -2.535 1.00 22.34 H new ATOM 0 HH11 ARG A 30 -10.254 6.350 -1.614 1.00 62.13 H new ATOM 0 HH12 ARG A 30 -10.727 6.748 -3.269 1.00 62.13 H new ATOM 0 HH21 ARG A 30 -9.476 3.775 -4.649 1.00 4.50 H new ATOM 0 HH22 ARG A 30 -10.293 5.310 -4.966 1.00 4.50 H new ATOM 463 N ILE A 31 -7.491 -0.576 1.184 1.00 65.51 N ATOM 464 CA ILE A 31 -6.556 -1.681 0.875 1.00 72.05 C ATOM 465 C ILE A 31 -6.646 -2.816 1.918 1.00 63.33 C ATOM 466 O ILE A 31 -7.054 -3.919 1.564 1.00 63.44 O ATOM 467 CB ILE A 31 -5.076 -1.157 0.755 1.00 60.33 C ATOM 468 CG1 ILE A 31 -4.965 -0.044 -0.336 1.00 32.31 C ATOM 469 CG2 ILE A 31 -4.079 -2.309 0.482 1.00 42.34 C ATOM 470 CD1 ILE A 31 -5.392 -0.454 -1.737 1.00 54.33 C ATOM 0 H ILE A 31 -7.080 0.161 1.757 1.00 65.51 H new ATOM 0 HA ILE A 31 -6.854 -2.092 -0.089 1.00 72.05 H new ATOM 0 HB ILE A 31 -4.806 -0.718 1.715 1.00 60.33 H new ATOM 0 HG12 ILE A 31 -5.571 0.807 -0.025 1.00 32.31 H new ATOM 0 HG13 ILE A 31 -3.931 0.299 -0.376 1.00 32.31 H new ATOM 0 HG21 ILE A 31 -3.069 -1.906 0.406 1.00 42.34 H new ATOM 0 HG22 ILE A 31 -4.122 -3.029 1.300 1.00 42.34 H new ATOM 0 HG23 ILE A 31 -4.343 -2.805 -0.452 1.00 42.34 H new ATOM 0 HD11 ILE A 31 -5.275 0.392 -2.415 1.00 54.33 H new ATOM 0 HD12 ILE A 31 -4.771 -1.282 -2.079 1.00 54.33 H new ATOM 0 HD13 ILE A 31 -6.436 -0.766 -1.722 1.00 54.33 H new ATOM 482 N ARG A 32 -6.290 -2.516 3.197 1.00 13.33 N ATOM 483 CA ARG A 32 -6.231 -3.507 4.311 1.00 64.33 C ATOM 484 C ARG A 32 -7.449 -4.473 4.338 1.00 23.31 C ATOM 485 O ARG A 32 -7.220 -5.675 4.304 1.00 34.23 O ATOM 486 CB ARG A 32 -6.060 -2.839 5.714 1.00 23.44 C ATOM 487 CG ARG A 32 -4.722 -2.111 5.965 1.00 0.13 C ATOM 488 CD ARG A 32 -4.534 -1.709 7.446 1.00 55.44 C ATOM 489 NE ARG A 32 -4.436 -2.904 8.316 1.00 51.03 N ATOM 490 CZ ARG A 32 -4.990 -3.060 9.529 1.00 0.21 C ATOM 491 NH1 ARG A 32 -5.709 -2.104 10.089 1.00 63.40 N ATOM 492 NH2 ARG A 32 -4.822 -4.202 10.180 1.00 4.52 N ATOM 0 H ARG A 32 -6.034 -1.572 3.487 1.00 13.33 H new ATOM 0 HA ARG A 32 -5.338 -4.095 4.100 1.00 64.33 H new ATOM 0 HB2 ARG A 32 -6.870 -2.124 5.854 1.00 23.44 H new ATOM 0 HB3 ARG A 32 -6.179 -3.609 6.477 1.00 23.44 H new ATOM 0 HG2 ARG A 32 -3.898 -2.757 5.660 1.00 0.13 H new ATOM 0 HG3 ARG A 32 -4.675 -1.218 5.341 1.00 0.13 H new ATOM 0 HD2 ARG A 32 -3.633 -1.105 7.550 1.00 55.44 H new ATOM 0 HD3 ARG A 32 -5.372 -1.090 7.767 1.00 55.44 H new ATOM 0 HE ARG A 32 -3.892 -3.689 7.957 1.00 51.03 H new ATOM 0 HH11 ARG A 32 -5.854 -1.221 9.599 1.00 63.40 H new ATOM 0 HH12 ARG A 32 -6.119 -2.248 11.012 1.00 63.40 H new ATOM 0 HH21 ARG A 32 -4.276 -4.953 9.759 1.00 4.52 H new ATOM 0 HH22 ARG A 32 -5.239 -4.330 11.102 1.00 4.52 H new ATOM 506 N PRO A 33 -8.759 -3.985 4.346 1.00 42.00 N ATOM 507 CA PRO A 33 -9.949 -4.889 4.326 1.00 30.20 C ATOM 508 C PRO A 33 -9.905 -5.927 3.187 1.00 24.02 C ATOM 509 O PRO A 33 -10.097 -7.122 3.425 1.00 15.44 O ATOM 510 CB PRO A 33 -11.141 -3.912 4.144 1.00 31.25 C ATOM 511 CG PRO A 33 -10.667 -2.632 4.745 1.00 42.41 C ATOM 512 CD PRO A 33 -9.197 -2.554 4.392 1.00 54.33 C ATOM 0 HA PRO A 33 -10.010 -5.492 5.232 1.00 30.20 H new ATOM 0 HB2 PRO A 33 -11.395 -3.787 3.091 1.00 31.25 H new ATOM 0 HB3 PRO A 33 -12.036 -4.279 4.646 1.00 31.25 H new ATOM 0 HG2 PRO A 33 -11.215 -1.780 4.343 1.00 42.41 H new ATOM 0 HG3 PRO A 33 -10.814 -2.625 5.825 1.00 42.41 H new ATOM 0 HD2 PRO A 33 -9.042 -2.058 3.434 1.00 54.33 H new ATOM 0 HD3 PRO A 33 -8.637 -1.989 5.137 1.00 54.33 H new ATOM 520 N THR A 34 -9.576 -5.450 1.969 1.00 51.42 N ATOM 521 CA THR A 34 -9.515 -6.278 0.751 1.00 73.22 C ATOM 522 C THR A 34 -8.464 -7.408 0.898 1.00 11.23 C ATOM 523 O THR A 34 -8.756 -8.587 0.641 1.00 21.33 O ATOM 524 CB THR A 34 -9.174 -5.377 -0.488 1.00 35.12 C ATOM 525 OG1 THR A 34 -10.042 -4.234 -0.508 1.00 53.51 O ATOM 526 CG2 THR A 34 -9.304 -6.131 -1.824 1.00 12.30 C ATOM 0 H THR A 34 -9.344 -4.471 1.804 1.00 51.42 H new ATOM 0 HA THR A 34 -10.490 -6.742 0.601 1.00 73.22 H new ATOM 0 HB THR A 34 -8.134 -5.070 -0.382 1.00 35.12 H new ATOM 0 HG1 THR A 34 -9.540 -3.437 -0.237 1.00 53.51 H new ATOM 0 HG21 THR A 34 -9.057 -5.460 -2.646 1.00 12.30 H new ATOM 0 HG22 THR A 34 -8.621 -6.980 -1.831 1.00 12.30 H new ATOM 0 HG23 THR A 34 -10.327 -6.488 -1.942 1.00 12.30 H new ATOM 534 N VAL A 35 -7.262 -7.024 1.370 1.00 42.23 N ATOM 535 CA VAL A 35 -6.120 -7.947 1.550 1.00 32.11 C ATOM 536 C VAL A 35 -6.441 -8.998 2.640 1.00 71.15 C ATOM 537 O VAL A 35 -6.130 -10.180 2.491 1.00 14.42 O ATOM 538 CB VAL A 35 -4.799 -7.152 1.915 1.00 74.13 C ATOM 539 CG1 VAL A 35 -3.550 -8.059 1.850 1.00 35.33 C ATOM 540 CG2 VAL A 35 -4.605 -5.923 1.000 1.00 35.51 C ATOM 0 H VAL A 35 -7.053 -6.062 1.639 1.00 42.23 H new ATOM 0 HA VAL A 35 -5.951 -8.466 0.606 1.00 32.11 H new ATOM 0 HB VAL A 35 -4.918 -6.804 2.941 1.00 74.13 H new ATOM 0 HG11 VAL A 35 -2.664 -7.478 2.107 1.00 35.33 H new ATOM 0 HG12 VAL A 35 -3.661 -8.882 2.556 1.00 35.33 H new ATOM 0 HG13 VAL A 35 -3.442 -8.458 0.841 1.00 35.33 H new ATOM 0 HG21 VAL A 35 -3.689 -5.402 1.280 1.00 35.51 H new ATOM 0 HG22 VAL A 35 -4.535 -6.249 -0.038 1.00 35.51 H new ATOM 0 HG23 VAL A 35 -5.454 -5.249 1.111 1.00 35.51 H new ATOM 550 N GLN A 36 -7.125 -8.541 3.709 1.00 64.30 N ATOM 551 CA GLN A 36 -7.514 -9.385 4.853 1.00 35.24 C ATOM 552 C GLN A 36 -8.581 -10.424 4.456 1.00 31.01 C ATOM 553 O GLN A 36 -8.581 -11.532 4.996 1.00 63.42 O ATOM 554 CB GLN A 36 -8.007 -8.513 6.033 1.00 73.01 C ATOM 555 CG GLN A 36 -6.914 -7.641 6.696 1.00 21.11 C ATOM 556 CD GLN A 36 -7.442 -6.699 7.780 1.00 53.44 C ATOM 557 OE1 GLN A 36 -8.415 -7.007 8.468 1.00 14.12 O ATOM 558 NE2 GLN A 36 -6.798 -5.545 7.952 1.00 31.43 N ATOM 0 H GLN A 36 -7.424 -7.570 3.801 1.00 64.30 H new ATOM 0 HA GLN A 36 -6.628 -9.933 5.175 1.00 35.24 H new ATOM 0 HB2 GLN A 36 -8.805 -7.862 5.677 1.00 73.01 H new ATOM 0 HB3 GLN A 36 -8.442 -9.164 6.791 1.00 73.01 H new ATOM 0 HG2 GLN A 36 -6.158 -8.294 7.133 1.00 21.11 H new ATOM 0 HG3 GLN A 36 -6.418 -7.050 5.926 1.00 21.11 H new ATOM 0 HE21 GLN A 36 -5.995 -5.317 7.366 1.00 31.43 H new ATOM 0 HE22 GLN A 36 -7.109 -4.890 8.669 1.00 31.43 H new ATOM 567 N GLU A 37 -9.465 -10.066 3.491 1.00 32.33 N ATOM 568 CA GLU A 37 -10.467 -11.005 2.927 1.00 30.14 C ATOM 569 C GLU A 37 -9.776 -12.139 2.149 1.00 62.23 C ATOM 570 O GLU A 37 -10.278 -13.264 2.106 1.00 73.52 O ATOM 571 CB GLU A 37 -11.483 -10.268 2.006 1.00 60.11 C ATOM 572 CG GLU A 37 -12.362 -9.211 2.705 1.00 70.52 C ATOM 573 CD GLU A 37 -13.127 -9.758 3.920 1.00 22.34 C ATOM 574 OE1 GLU A 37 -14.132 -10.472 3.736 1.00 4.21 O ATOM 575 OE2 GLU A 37 -12.722 -9.483 5.068 1.00 21.12 O ATOM 0 H GLU A 37 -9.504 -9.131 3.086 1.00 32.33 H new ATOM 0 HA GLU A 37 -11.017 -11.436 3.764 1.00 30.14 H new ATOM 0 HB2 GLU A 37 -10.932 -9.783 1.200 1.00 60.11 H new ATOM 0 HB3 GLU A 37 -12.134 -11.010 1.545 1.00 60.11 H new ATOM 0 HG2 GLU A 37 -11.733 -8.381 3.025 1.00 70.52 H new ATOM 0 HG3 GLU A 37 -13.076 -8.811 1.986 1.00 70.52 H new ATOM 582 N ASP A 38 -8.618 -11.826 1.536 1.00 43.22 N ATOM 583 CA ASP A 38 -7.811 -12.825 0.812 1.00 74.14 C ATOM 584 C ASP A 38 -6.951 -13.656 1.790 1.00 72.33 C ATOM 585 O ASP A 38 -6.553 -14.786 1.482 1.00 13.01 O ATOM 586 CB ASP A 38 -6.922 -12.107 -0.222 1.00 61.15 C ATOM 587 CG ASP A 38 -6.103 -13.072 -1.086 1.00 74.22 C ATOM 588 OD1 ASP A 38 -6.701 -13.785 -1.918 1.00 71.54 O ATOM 589 OD2 ASP A 38 -4.874 -13.137 -0.924 1.00 14.44 O ATOM 0 H ASP A 38 -8.221 -10.887 1.528 1.00 43.22 H new ATOM 0 HA ASP A 38 -8.479 -13.515 0.296 1.00 74.14 H new ATOM 0 HB2 ASP A 38 -7.550 -11.494 -0.869 1.00 61.15 H new ATOM 0 HB3 ASP A 38 -6.244 -11.430 0.298 1.00 61.15 H new ATOM 594 N GLY A 39 -6.699 -13.090 2.981 1.00 44.31 N ATOM 595 CA GLY A 39 -5.971 -13.790 4.043 1.00 73.34 C ATOM 596 C GLY A 39 -4.565 -13.246 4.235 1.00 35.23 C ATOM 597 O GLY A 39 -3.635 -13.998 4.526 1.00 33.34 O ATOM 0 H GLY A 39 -6.992 -12.145 3.230 1.00 44.31 H new ATOM 0 HA2 GLY A 39 -6.523 -13.701 4.978 1.00 73.34 H new ATOM 0 HA3 GLY A 39 -5.918 -14.852 3.804 1.00 73.34 H new ATOM 601 N GLY A 40 -4.427 -11.924 4.077 1.00 52.45 N ATOM 602 CA GLY A 40 -3.177 -11.203 4.338 1.00 61.41 C ATOM 603 C GLY A 40 -3.440 -9.882 5.035 1.00 44.54 C ATOM 604 O GLY A 40 -4.447 -9.753 5.738 1.00 72.25 O ATOM 0 H GLY A 40 -5.186 -11.320 3.762 1.00 52.45 H new ATOM 0 HA2 GLY A 40 -2.521 -11.818 4.954 1.00 61.41 H new ATOM 0 HA3 GLY A 40 -2.655 -11.024 3.398 1.00 61.41 H new ATOM 608 N ASP A 41 -2.526 -8.912 4.841 1.00 42.31 N ATOM 609 CA ASP A 41 -2.661 -7.524 5.342 1.00 33.14 C ATOM 610 C ASP A 41 -1.475 -6.677 4.830 1.00 51.32 C ATOM 611 O ASP A 41 -0.457 -7.225 4.379 1.00 32.14 O ATOM 612 CB ASP A 41 -2.734 -7.474 6.907 1.00 44.32 C ATOM 613 CG ASP A 41 -3.173 -6.113 7.476 1.00 3.35 C ATOM 614 OD1 ASP A 41 -3.991 -5.421 6.835 1.00 75.01 O ATOM 615 OD2 ASP A 41 -2.736 -5.746 8.582 1.00 4.00 O ATOM 0 H ASP A 41 -1.660 -9.069 4.325 1.00 42.31 H new ATOM 0 HA ASP A 41 -3.597 -7.113 4.963 1.00 33.14 H new ATOM 0 HB2 ASP A 41 -3.429 -8.240 7.252 1.00 44.32 H new ATOM 0 HB3 ASP A 41 -1.754 -7.726 7.313 1.00 44.32 H new ATOM 620 N VAL A 42 -1.614 -5.339 4.898 1.00 52.22 N ATOM 621 CA VAL A 42 -0.542 -4.386 4.557 1.00 24.20 C ATOM 622 C VAL A 42 -0.230 -3.532 5.805 1.00 1.13 C ATOM 623 O VAL A 42 -1.132 -2.924 6.413 1.00 24.33 O ATOM 624 CB VAL A 42 -0.899 -3.475 3.303 1.00 20.05 C ATOM 625 CG1 VAL A 42 -1.131 -4.339 2.038 1.00 65.43 C ATOM 626 CG2 VAL A 42 -2.120 -2.558 3.557 1.00 22.34 C ATOM 0 H VAL A 42 -2.479 -4.887 5.193 1.00 52.22 H new ATOM 0 HA VAL A 42 0.342 -4.951 4.261 1.00 24.20 H new ATOM 0 HB VAL A 42 -0.038 -2.827 3.139 1.00 20.05 H new ATOM 0 HG11 VAL A 42 -1.374 -3.692 1.195 1.00 65.43 H new ATOM 0 HG12 VAL A 42 -0.227 -4.905 1.813 1.00 65.43 H new ATOM 0 HG13 VAL A 42 -1.956 -5.029 2.215 1.00 65.43 H new ATOM 0 HG21 VAL A 42 -2.317 -1.960 2.667 1.00 22.34 H new ATOM 0 HG22 VAL A 42 -2.993 -3.169 3.784 1.00 22.34 H new ATOM 0 HG23 VAL A 42 -1.911 -1.898 4.399 1.00 22.34 H new ATOM 636 N ILE A 43 1.039 -3.572 6.235 1.00 21.35 N ATOM 637 CA ILE A 43 1.532 -2.796 7.383 1.00 15.45 C ATOM 638 C ILE A 43 2.340 -1.611 6.838 1.00 4.24 C ATOM 639 O ILE A 43 3.332 -1.814 6.125 1.00 61.40 O ATOM 640 CB ILE A 43 2.427 -3.657 8.380 1.00 74.43 C ATOM 641 CG1 ILE A 43 1.609 -4.803 9.087 1.00 10.43 C ATOM 642 CG2 ILE A 43 3.098 -2.751 9.451 1.00 61.23 C ATOM 643 CD1 ILE A 43 1.137 -5.938 8.196 1.00 22.23 C ATOM 0 H ILE A 43 1.757 -4.147 5.794 1.00 21.35 H new ATOM 0 HA ILE A 43 0.674 -2.459 7.964 1.00 15.45 H new ATOM 0 HB ILE A 43 3.199 -4.128 7.772 1.00 74.43 H new ATOM 0 HG12 ILE A 43 2.226 -5.224 9.881 1.00 10.43 H new ATOM 0 HG13 ILE A 43 0.737 -4.357 9.564 1.00 10.43 H new ATOM 0 HG21 ILE A 43 3.703 -3.364 10.119 1.00 61.23 H new ATOM 0 HG22 ILE A 43 3.733 -2.015 8.959 1.00 61.23 H new ATOM 0 HG23 ILE A 43 2.328 -2.238 10.028 1.00 61.23 H new ATOM 0 HD11 ILE A 43 0.587 -6.665 8.793 1.00 22.23 H new ATOM 0 HD12 ILE A 43 0.486 -5.542 7.416 1.00 22.23 H new ATOM 0 HD13 ILE A 43 1.999 -6.423 7.738 1.00 22.23 H new ATOM 655 N TYR A 44 1.893 -0.388 7.157 1.00 34.21 N ATOM 656 CA TYR A 44 2.556 0.841 6.720 1.00 12.45 C ATOM 657 C TYR A 44 3.922 0.995 7.419 1.00 23.14 C ATOM 658 O TYR A 44 3.986 1.233 8.631 1.00 15.32 O ATOM 659 CB TYR A 44 1.649 2.064 6.982 1.00 72.25 C ATOM 660 CG TYR A 44 2.222 3.388 6.458 1.00 24.55 C ATOM 661 CD1 TYR A 44 2.342 3.622 5.085 1.00 63.21 C ATOM 662 CD2 TYR A 44 2.642 4.396 7.324 1.00 31.43 C ATOM 663 CE1 TYR A 44 2.853 4.805 4.607 1.00 55.41 C ATOM 664 CE2 TYR A 44 3.147 5.574 6.848 1.00 24.34 C ATOM 665 CZ TYR A 44 3.251 5.779 5.488 1.00 74.30 C ATOM 666 OH TYR A 44 3.752 6.964 5.013 1.00 35.22 O ATOM 0 H TYR A 44 1.061 -0.227 7.725 1.00 34.21 H new ATOM 0 HA TYR A 44 2.736 0.781 5.647 1.00 12.45 H new ATOM 0 HB2 TYR A 44 0.679 1.890 6.517 1.00 72.25 H new ATOM 0 HB3 TYR A 44 1.477 2.153 8.055 1.00 72.25 H new ATOM 0 HD1 TYR A 44 2.028 2.860 4.388 1.00 63.21 H new ATOM 0 HD2 TYR A 44 2.567 4.244 8.391 1.00 31.43 H new ATOM 0 HE1 TYR A 44 2.941 4.967 3.543 1.00 55.41 H new ATOM 0 HE2 TYR A 44 3.464 6.343 7.536 1.00 24.34 H new ATOM 0 HH TYR A 44 4.606 7.158 5.453 1.00 35.22 H new ATOM 676 N LYS A 45 5.000 0.812 6.646 1.00 32.20 N ATOM 677 CA LYS A 45 6.381 0.922 7.133 1.00 52.43 C ATOM 678 C LYS A 45 6.881 2.367 7.022 1.00 32.22 C ATOM 679 O LYS A 45 7.627 2.833 7.890 1.00 70.35 O ATOM 680 CB LYS A 45 7.295 -0.061 6.350 1.00 74.41 C ATOM 681 CG LYS A 45 6.972 -1.575 6.556 1.00 13.35 C ATOM 682 CD LYS A 45 7.612 -2.177 7.839 1.00 54.11 C ATOM 683 CE LYS A 45 6.840 -1.905 9.143 1.00 61.32 C ATOM 684 NZ LYS A 45 7.656 -2.203 10.344 1.00 72.42 N ATOM 0 H LYS A 45 4.937 0.581 5.654 1.00 32.20 H new ATOM 0 HA LYS A 45 6.411 0.649 8.188 1.00 52.43 H new ATOM 0 HB2 LYS A 45 7.222 0.168 5.287 1.00 74.41 H new ATOM 0 HB3 LYS A 45 8.329 0.117 6.644 1.00 74.41 H new ATOM 0 HG2 LYS A 45 5.891 -1.704 6.604 1.00 13.35 H new ATOM 0 HG3 LYS A 45 7.322 -2.134 5.688 1.00 13.35 H new ATOM 0 HD2 LYS A 45 7.705 -3.255 7.708 1.00 54.11 H new ATOM 0 HD3 LYS A 45 8.622 -1.780 7.943 1.00 54.11 H new ATOM 0 HE2 LYS A 45 6.526 -0.861 9.168 1.00 61.32 H new ATOM 0 HE3 LYS A 45 5.934 -2.511 9.161 1.00 61.32 H new ATOM 0 HZ1 LYS A 45 7.099 -2.006 11.200 1.00 72.42 H new ATOM 0 HZ2 LYS A 45 7.934 -3.205 10.335 1.00 72.42 H new ATOM 0 HZ3 LYS A 45 8.508 -1.607 10.341 1.00 72.42 H new ATOM 698 N GLY A 46 6.467 3.078 5.956 1.00 61.24 N ATOM 699 CA GLY A 46 6.787 4.502 5.811 1.00 43.42 C ATOM 700 C GLY A 46 6.576 5.035 4.405 1.00 41.14 C ATOM 701 O GLY A 46 6.014 4.357 3.547 1.00 3.33 O ATOM 0 H GLY A 46 5.915 2.690 5.191 1.00 61.24 H new ATOM 0 HA2 GLY A 46 6.172 5.076 6.504 1.00 43.42 H new ATOM 0 HA3 GLY A 46 7.826 4.663 6.099 1.00 43.42 H new ATOM 705 N PHE A 47 7.025 6.278 4.205 1.00 40.33 N ATOM 706 CA PHE A 47 7.021 6.981 2.916 1.00 71.42 C ATOM 707 C PHE A 47 8.334 7.765 2.848 1.00 55.21 C ATOM 708 O PHE A 47 8.516 8.733 3.598 1.00 62.11 O ATOM 709 CB PHE A 47 5.790 7.933 2.813 1.00 54.44 C ATOM 710 CG PHE A 47 5.744 8.818 1.558 1.00 41.03 C ATOM 711 CD1 PHE A 47 5.490 8.261 0.307 1.00 51.33 C ATOM 712 CD2 PHE A 47 5.957 10.200 1.628 1.00 41.11 C ATOM 713 CE1 PHE A 47 5.446 9.045 -0.826 1.00 63.53 C ATOM 714 CE2 PHE A 47 5.916 10.983 0.491 1.00 11.54 C ATOM 715 CZ PHE A 47 5.660 10.404 -0.736 1.00 5.12 C ATOM 0 H PHE A 47 7.414 6.842 4.960 1.00 40.33 H new ATOM 0 HA PHE A 47 6.944 6.282 2.083 1.00 71.42 H new ATOM 0 HB2 PHE A 47 4.882 7.330 2.845 1.00 54.44 H new ATOM 0 HB3 PHE A 47 5.776 8.577 3.692 1.00 54.44 H new ATOM 0 HD1 PHE A 47 5.325 7.197 0.223 1.00 51.33 H new ATOM 0 HD2 PHE A 47 6.156 10.660 2.585 1.00 41.11 H new ATOM 0 HE1 PHE A 47 5.243 8.594 -1.786 1.00 63.53 H new ATOM 0 HE2 PHE A 47 6.084 12.047 0.562 1.00 11.54 H new ATOM 0 HZ PHE A 47 5.627 11.016 -1.625 1.00 5.12 H new ATOM 725 N GLU A 48 9.246 7.348 1.958 1.00 10.50 N ATOM 726 CA GLU A 48 10.612 7.874 1.911 1.00 20.33 C ATOM 727 C GLU A 48 11.071 7.960 0.449 1.00 44.42 C ATOM 728 O GLU A 48 11.034 6.955 -0.264 1.00 41.51 O ATOM 729 CB GLU A 48 11.550 6.950 2.759 1.00 72.43 C ATOM 730 CG GLU A 48 12.740 7.656 3.446 1.00 22.24 C ATOM 731 CD GLU A 48 13.822 8.204 2.495 1.00 3.10 C ATOM 732 OE1 GLU A 48 13.717 9.371 2.048 1.00 75.44 O ATOM 733 OE2 GLU A 48 14.793 7.475 2.211 1.00 14.42 O ATOM 0 H GLU A 48 9.055 6.637 1.252 1.00 10.50 H new ATOM 0 HA GLU A 48 10.651 8.877 2.337 1.00 20.33 H new ATOM 0 HB2 GLU A 48 10.950 6.459 3.526 1.00 72.43 H new ATOM 0 HB3 GLU A 48 11.941 6.166 2.110 1.00 72.43 H new ATOM 0 HG2 GLU A 48 12.355 8.481 4.045 1.00 22.24 H new ATOM 0 HG3 GLU A 48 13.208 6.954 4.136 1.00 22.24 H new ATOM 740 N ASP A 49 11.472 9.181 0.023 1.00 63.51 N ATOM 741 CA ASP A 49 11.990 9.481 -1.339 1.00 44.12 C ATOM 742 C ASP A 49 10.895 9.274 -2.423 1.00 31.32 C ATOM 743 O ASP A 49 11.186 9.097 -3.610 1.00 74.20 O ATOM 744 CB ASP A 49 13.280 8.648 -1.637 1.00 71.43 C ATOM 745 CG ASP A 49 14.140 9.212 -2.787 1.00 23.05 C ATOM 746 OD1 ASP A 49 14.767 10.283 -2.602 1.00 12.25 O ATOM 747 OD2 ASP A 49 14.212 8.590 -3.867 1.00 31.42 O ATOM 0 H ASP A 49 11.445 10.003 0.626 1.00 63.51 H new ATOM 0 HA ASP A 49 12.267 10.535 -1.373 1.00 44.12 H new ATOM 0 HB2 ASP A 49 13.887 8.601 -0.733 1.00 71.43 H new ATOM 0 HB3 ASP A 49 12.992 7.625 -1.881 1.00 71.43 H new ATOM 752 N GLY A 50 9.622 9.367 -1.993 1.00 24.41 N ATOM 753 CA GLY A 50 8.467 9.129 -2.874 1.00 25.44 C ATOM 754 C GLY A 50 8.068 7.656 -2.961 1.00 0.34 C ATOM 755 O GLY A 50 7.195 7.282 -3.757 1.00 55.11 O ATOM 0 H GLY A 50 9.369 9.607 -1.035 1.00 24.41 H new ATOM 0 HA2 GLY A 50 7.617 9.708 -2.512 1.00 25.44 H new ATOM 0 HA3 GLY A 50 8.700 9.495 -3.874 1.00 25.44 H new ATOM 759 N ILE A 51 8.716 6.814 -2.141 1.00 2.24 N ATOM 760 CA ILE A 51 8.477 5.365 -2.114 1.00 14.11 C ATOM 761 C ILE A 51 7.683 4.997 -0.846 1.00 54.20 C ATOM 762 O ILE A 51 8.188 5.143 0.273 1.00 40.34 O ATOM 763 CB ILE A 51 9.831 4.564 -2.145 1.00 51.32 C ATOM 764 CG1 ILE A 51 10.747 5.026 -3.331 1.00 10.43 C ATOM 765 CG2 ILE A 51 9.572 3.043 -2.202 1.00 24.30 C ATOM 766 CD1 ILE A 51 10.139 4.885 -4.719 1.00 23.15 C ATOM 0 H ILE A 51 9.424 7.122 -1.475 1.00 2.24 H new ATOM 0 HA ILE A 51 7.903 5.095 -3.001 1.00 14.11 H new ATOM 0 HB ILE A 51 10.363 4.781 -1.219 1.00 51.32 H new ATOM 0 HG12 ILE A 51 11.015 6.071 -3.175 1.00 10.43 H new ATOM 0 HG13 ILE A 51 11.672 4.451 -3.298 1.00 10.43 H new ATOM 0 HG21 ILE A 51 10.524 2.512 -2.223 1.00 24.30 H new ATOM 0 HG22 ILE A 51 9.005 2.737 -1.323 1.00 24.30 H new ATOM 0 HG23 ILE A 51 9.004 2.804 -3.101 1.00 24.30 H new ATOM 0 HD11 ILE A 51 10.853 5.232 -5.466 1.00 23.15 H new ATOM 0 HD12 ILE A 51 9.898 3.839 -4.906 1.00 23.15 H new ATOM 0 HD13 ILE A 51 9.230 5.484 -4.781 1.00 23.15 H new ATOM 778 N VAL A 52 6.438 4.537 -1.034 1.00 55.33 N ATOM 779 CA VAL A 52 5.599 4.039 0.063 1.00 1.31 C ATOM 780 C VAL A 52 6.025 2.601 0.390 1.00 13.21 C ATOM 781 O VAL A 52 5.746 1.674 -0.371 1.00 75.14 O ATOM 782 CB VAL A 52 4.072 4.070 -0.296 1.00 23.42 C ATOM 783 CG1 VAL A 52 3.201 3.674 0.924 1.00 74.01 C ATOM 784 CG2 VAL A 52 3.659 5.451 -0.851 1.00 72.31 C ATOM 0 H VAL A 52 5.986 4.500 -1.948 1.00 55.33 H new ATOM 0 HA VAL A 52 5.739 4.692 0.925 1.00 1.31 H new ATOM 0 HB VAL A 52 3.900 3.332 -1.079 1.00 23.42 H new ATOM 0 HG11 VAL A 52 2.148 3.705 0.644 1.00 74.01 H new ATOM 0 HG12 VAL A 52 3.462 2.666 1.245 1.00 74.01 H new ATOM 0 HG13 VAL A 52 3.380 4.373 1.741 1.00 74.01 H new ATOM 0 HG21 VAL A 52 2.596 5.443 -1.091 1.00 72.31 H new ATOM 0 HG22 VAL A 52 3.856 6.218 -0.102 1.00 72.31 H new ATOM 0 HG23 VAL A 52 4.233 5.668 -1.752 1.00 72.31 H new ATOM 794 N GLN A 53 6.727 2.439 1.504 1.00 32.05 N ATOM 795 CA GLN A 53 7.249 1.147 1.941 1.00 12.42 C ATOM 796 C GLN A 53 6.179 0.437 2.777 1.00 74.42 C ATOM 797 O GLN A 53 5.687 0.996 3.773 1.00 23.44 O ATOM 798 CB GLN A 53 8.557 1.372 2.731 1.00 12.41 C ATOM 799 CG GLN A 53 9.705 1.942 1.861 1.00 12.13 C ATOM 800 CD GLN A 53 10.943 2.365 2.646 1.00 60.22 C ATOM 801 OE1 GLN A 53 11.254 1.806 3.704 1.00 1.34 O ATOM 802 NE2 GLN A 53 11.666 3.342 2.120 1.00 63.24 N ATOM 0 H GLN A 53 6.953 3.207 2.137 1.00 32.05 H new ATOM 0 HA GLN A 53 7.484 0.509 1.089 1.00 12.42 H new ATOM 0 HB2 GLN A 53 8.362 2.056 3.557 1.00 12.41 H new ATOM 0 HB3 GLN A 53 8.877 0.426 3.169 1.00 12.41 H new ATOM 0 HG2 GLN A 53 9.995 1.190 1.127 1.00 12.13 H new ATOM 0 HG3 GLN A 53 9.331 2.802 1.306 1.00 12.13 H new ATOM 0 HE21 GLN A 53 11.375 3.777 1.245 1.00 63.24 H new ATOM 0 HE22 GLN A 53 12.514 3.659 2.590 1.00 63.24 H new ATOM 811 N LEU A 54 5.786 -0.767 2.328 1.00 60.44 N ATOM 812 CA LEU A 54 4.728 -1.577 2.947 1.00 52.31 C ATOM 813 C LEU A 54 5.219 -3.010 3.157 1.00 12.24 C ATOM 814 O LEU A 54 5.871 -3.585 2.279 1.00 51.15 O ATOM 815 CB LEU A 54 3.459 -1.604 2.052 1.00 50.20 C ATOM 816 CG LEU A 54 2.801 -0.224 1.739 1.00 13.30 C ATOM 817 CD1 LEU A 54 1.567 -0.385 0.844 1.00 73.42 C ATOM 818 CD2 LEU A 54 2.451 0.535 3.031 1.00 55.42 C ATOM 0 H LEU A 54 6.203 -1.211 1.510 1.00 60.44 H new ATOM 0 HA LEU A 54 4.478 -1.127 3.908 1.00 52.31 H new ATOM 0 HB2 LEU A 54 3.718 -2.081 1.107 1.00 50.20 H new ATOM 0 HB3 LEU A 54 2.714 -2.236 2.535 1.00 50.20 H new ATOM 0 HG LEU A 54 3.533 0.370 1.192 1.00 13.30 H new ATOM 0 HD11 LEU A 54 1.132 0.594 0.645 1.00 73.42 H new ATOM 0 HD12 LEU A 54 1.858 -0.851 -0.097 1.00 73.42 H new ATOM 0 HD13 LEU A 54 0.832 -1.013 1.347 1.00 73.42 H new ATOM 0 HD21 LEU A 54 1.994 1.492 2.778 1.00 55.42 H new ATOM 0 HD22 LEU A 54 1.751 -0.056 3.622 1.00 55.42 H new ATOM 0 HD23 LEU A 54 3.359 0.707 3.609 1.00 55.42 H new ATOM 830 N LYS A 55 4.894 -3.572 4.321 1.00 53.44 N ATOM 831 CA LYS A 55 5.122 -4.985 4.617 1.00 63.30 C ATOM 832 C LYS A 55 3.877 -5.784 4.198 1.00 20.22 C ATOM 833 O LYS A 55 2.770 -5.493 4.675 1.00 71.21 O ATOM 834 CB LYS A 55 5.407 -5.178 6.126 1.00 42.04 C ATOM 835 CG LYS A 55 5.632 -6.645 6.531 1.00 34.51 C ATOM 836 CD LYS A 55 5.837 -6.833 8.045 1.00 21.14 C ATOM 837 CE LYS A 55 6.010 -8.316 8.420 1.00 10.13 C ATOM 838 NZ LYS A 55 6.237 -8.495 9.871 1.00 33.03 N ATOM 0 H LYS A 55 4.463 -3.057 5.089 1.00 53.44 H new ATOM 0 HA LYS A 55 5.989 -5.343 4.062 1.00 63.30 H new ATOM 0 HB2 LYS A 55 6.288 -4.596 6.397 1.00 42.04 H new ATOM 0 HB3 LYS A 55 4.571 -4.776 6.699 1.00 42.04 H new ATOM 0 HG2 LYS A 55 4.776 -7.239 6.211 1.00 34.51 H new ATOM 0 HG3 LYS A 55 6.504 -7.031 6.002 1.00 34.51 H new ATOM 0 HD2 LYS A 55 6.715 -6.273 8.365 1.00 21.14 H new ATOM 0 HD3 LYS A 55 4.983 -6.420 8.581 1.00 21.14 H new ATOM 0 HE2 LYS A 55 5.122 -8.872 8.120 1.00 10.13 H new ATOM 0 HE3 LYS A 55 6.851 -8.735 7.867 1.00 10.13 H new ATOM 0 HZ1 LYS A 55 6.349 -9.507 10.083 1.00 33.03 H new ATOM 0 HZ2 LYS A 55 7.099 -7.985 10.153 1.00 33.03 H new ATOM 0 HZ3 LYS A 55 5.424 -8.119 10.399 1.00 33.03 H new ATOM 852 N LEU A 56 4.049 -6.779 3.306 1.00 34.24 N ATOM 853 CA LEU A 56 2.933 -7.625 2.845 1.00 1.54 C ATOM 854 C LEU A 56 2.895 -8.927 3.667 1.00 72.53 C ATOM 855 O LEU A 56 3.945 -9.520 3.955 1.00 63.40 O ATOM 856 CB LEU A 56 3.050 -7.951 1.327 1.00 10.05 C ATOM 857 CG LEU A 56 3.124 -6.734 0.341 1.00 43.13 C ATOM 858 CD1 LEU A 56 3.027 -7.201 -1.130 1.00 73.12 C ATOM 859 CD2 LEU A 56 2.056 -5.665 0.658 1.00 62.51 C ATOM 0 H LEU A 56 4.950 -7.016 2.891 1.00 34.24 H new ATOM 0 HA LEU A 56 2.005 -7.072 2.993 1.00 1.54 H new ATOM 0 HB2 LEU A 56 3.941 -8.561 1.179 1.00 10.05 H new ATOM 0 HB3 LEU A 56 2.194 -8.564 1.045 1.00 10.05 H new ATOM 0 HG LEU A 56 4.098 -6.265 0.483 1.00 43.13 H new ATOM 0 HD11 LEU A 56 3.081 -6.336 -1.791 1.00 73.12 H new ATOM 0 HD12 LEU A 56 3.851 -7.879 -1.352 1.00 73.12 H new ATOM 0 HD13 LEU A 56 2.080 -7.718 -1.286 1.00 73.12 H new ATOM 0 HD21 LEU A 56 2.145 -4.841 -0.050 1.00 62.51 H new ATOM 0 HD22 LEU A 56 1.063 -6.107 0.577 1.00 62.51 H new ATOM 0 HD23 LEU A 56 2.205 -5.291 1.671 1.00 62.51 H new ATOM 871 N GLN A 57 1.679 -9.344 4.046 1.00 64.31 N ATOM 872 CA GLN A 57 1.427 -10.616 4.751 1.00 73.11 C ATOM 873 C GLN A 57 1.011 -11.711 3.751 1.00 1.12 C ATOM 874 O GLN A 57 0.841 -11.435 2.549 1.00 12.25 O ATOM 875 CB GLN A 57 0.337 -10.410 5.839 1.00 34.43 C ATOM 876 CG GLN A 57 0.749 -9.481 6.999 1.00 14.12 C ATOM 877 CD GLN A 57 1.871 -10.049 7.875 1.00 32.05 C ATOM 878 OE1 GLN A 57 2.014 -11.262 8.022 1.00 42.20 O ATOM 879 NE2 GLN A 57 2.663 -9.179 8.477 1.00 50.52 N ATOM 0 H GLN A 57 0.831 -8.804 3.871 1.00 64.31 H new ATOM 0 HA GLN A 57 2.345 -10.941 5.240 1.00 73.11 H new ATOM 0 HB2 GLN A 57 -0.556 -10.003 5.366 1.00 34.43 H new ATOM 0 HB3 GLN A 57 0.065 -11.382 6.250 1.00 34.43 H new ATOM 0 HG2 GLN A 57 1.070 -8.523 6.589 1.00 14.12 H new ATOM 0 HG3 GLN A 57 -0.123 -9.285 7.623 1.00 14.12 H new ATOM 0 HE21 GLN A 57 2.521 -8.179 8.337 1.00 50.52 H new ATOM 0 HE22 GLN A 57 3.416 -9.508 9.082 1.00 50.52 H new ATOM 888 N GLY A 58 0.841 -12.945 4.273 1.00 33.53 N ATOM 889 CA GLY A 58 0.608 -14.157 3.471 1.00 70.42 C ATOM 890 C GLY A 58 -0.574 -14.111 2.505 1.00 65.45 C ATOM 891 O GLY A 58 -1.370 -13.170 2.534 1.00 21.42 O ATOM 0 H GLY A 58 0.863 -13.125 5.277 1.00 33.53 H new ATOM 0 HA2 GLY A 58 1.511 -14.367 2.897 1.00 70.42 H new ATOM 0 HA3 GLY A 58 0.461 -14.995 4.152 1.00 70.42 H new ATOM 895 N SER A 59 -0.667 -15.164 1.658 1.00 73.11 N ATOM 896 CA SER A 59 -1.625 -15.287 0.538 1.00 51.33 C ATOM 897 C SER A 59 -1.250 -14.323 -0.613 1.00 2.24 C ATOM 898 O SER A 59 -0.897 -14.763 -1.719 1.00 65.42 O ATOM 899 CB SER A 59 -3.094 -15.102 0.997 1.00 0.23 C ATOM 900 OG SER A 59 -3.426 -16.016 2.033 1.00 15.25 O ATOM 0 H SER A 59 -0.056 -15.977 1.740 1.00 73.11 H new ATOM 0 HA SER A 59 -1.554 -16.305 0.156 1.00 51.33 H new ATOM 0 HB2 SER A 59 -3.243 -14.081 1.348 1.00 0.23 H new ATOM 0 HB3 SER A 59 -3.764 -15.249 0.150 1.00 0.23 H new ATOM 0 HG SER A 59 -3.507 -15.533 2.882 1.00 15.25 H new ATOM 906 N CYS A 60 -1.293 -13.011 -0.321 1.00 22.23 N ATOM 907 CA CYS A 60 -0.881 -11.951 -1.252 1.00 41.24 C ATOM 908 C CYS A 60 0.632 -12.016 -1.567 1.00 3.42 C ATOM 909 O CYS A 60 1.034 -11.870 -2.723 1.00 34.45 O ATOM 910 CB CYS A 60 -1.251 -10.590 -0.647 1.00 45.22 C ATOM 911 SG CYS A 60 -3.007 -10.437 -0.270 1.00 14.34 S ATOM 0 H CYS A 60 -1.618 -12.655 0.578 1.00 22.23 H new ATOM 0 HA CYS A 60 -1.405 -12.093 -2.197 1.00 41.24 H new ATOM 0 HB2 CYS A 60 -0.675 -10.436 0.265 1.00 45.22 H new ATOM 0 HB3 CYS A 60 -0.965 -9.800 -1.342 1.00 45.22 H new ATOM 0 HG CYS A 60 -3.610 -11.554 -0.551 1.00 14.34 H new ATOM 917 N THR A 61 1.467 -12.248 -0.525 1.00 31.02 N ATOM 918 CA THR A 61 2.936 -12.350 -0.691 1.00 30.23 C ATOM 919 C THR A 61 3.360 -13.786 -1.088 1.00 42.23 C ATOM 920 O THR A 61 4.489 -13.998 -1.551 1.00 65.42 O ATOM 921 CB THR A 61 3.707 -11.894 0.598 1.00 54.42 C ATOM 922 OG1 THR A 61 5.087 -11.686 0.285 1.00 24.12 O ATOM 923 CG2 THR A 61 3.623 -12.911 1.752 1.00 64.20 C ATOM 0 H THR A 61 1.148 -12.368 0.437 1.00 31.02 H new ATOM 0 HA THR A 61 3.207 -11.672 -1.500 1.00 30.23 H new ATOM 0 HB THR A 61 3.228 -10.973 0.931 1.00 54.42 H new ATOM 0 HG1 THR A 61 5.362 -12.315 -0.415 1.00 24.12 H new ATOM 0 HG21 THR A 61 4.177 -12.533 2.611 1.00 64.20 H new ATOM 0 HG22 THR A 61 2.580 -13.060 2.030 1.00 64.20 H new ATOM 0 HG23 THR A 61 4.053 -13.860 1.432 1.00 64.20 H new ATOM 931 N SER A 62 2.447 -14.761 -0.894 1.00 34.13 N ATOM 932 CA SER A 62 2.712 -16.178 -1.202 1.00 25.44 C ATOM 933 C SER A 62 2.767 -16.410 -2.723 1.00 10.34 C ATOM 934 O SER A 62 3.618 -17.162 -3.211 1.00 54.53 O ATOM 935 CB SER A 62 1.641 -17.069 -0.549 1.00 1.31 C ATOM 936 OG SER A 62 1.599 -16.840 0.846 1.00 54.24 O ATOM 0 H SER A 62 1.513 -14.588 -0.522 1.00 34.13 H new ATOM 0 HA SER A 62 3.685 -16.446 -0.791 1.00 25.44 H new ATOM 0 HB2 SER A 62 0.666 -16.860 -0.989 1.00 1.31 H new ATOM 0 HB3 SER A 62 1.861 -18.118 -0.746 1.00 1.31 H new ATOM 0 HG SER A 62 1.169 -17.601 1.290 1.00 54.24 H new ATOM 942 N CYS A 63 1.853 -15.751 -3.460 1.00 35.24 N ATOM 943 CA CYS A 63 1.804 -15.814 -4.929 1.00 3.11 C ATOM 944 C CYS A 63 2.526 -14.581 -5.527 1.00 50.42 C ATOM 945 O CYS A 63 2.137 -13.447 -5.222 1.00 11.42 O ATOM 946 CB CYS A 63 0.337 -15.887 -5.393 1.00 54.23 C ATOM 947 SG CYS A 63 -0.552 -17.325 -4.763 1.00 35.12 S ATOM 0 H CYS A 63 1.129 -15.160 -3.052 1.00 35.24 H new ATOM 0 HA CYS A 63 2.316 -16.709 -5.281 1.00 3.11 H new ATOM 0 HB2 CYS A 63 -0.181 -14.982 -5.074 1.00 54.23 H new ATOM 0 HB3 CYS A 63 0.310 -15.903 -6.483 1.00 54.23 H new ATOM 0 HG CYS A 63 -1.776 -17.304 -5.201 1.00 35.12 H new ATOM 953 N PRO A 64 3.597 -14.786 -6.373 1.00 25.54 N ATOM 954 CA PRO A 64 4.394 -13.678 -6.985 1.00 15.13 C ATOM 955 C PRO A 64 3.538 -12.705 -7.834 1.00 64.15 C ATOM 956 O PRO A 64 3.790 -11.495 -7.846 1.00 13.04 O ATOM 957 CB PRO A 64 5.450 -14.425 -7.859 1.00 4.23 C ATOM 958 CG PRO A 64 4.886 -15.802 -8.059 1.00 53.43 C ATOM 959 CD PRO A 64 4.136 -16.112 -6.784 1.00 51.14 C ATOM 0 HA PRO A 64 4.839 -13.035 -6.225 1.00 15.13 H new ATOM 0 HB2 PRO A 64 5.602 -13.919 -8.812 1.00 4.23 H new ATOM 0 HB3 PRO A 64 6.418 -14.464 -7.360 1.00 4.23 H new ATOM 0 HG2 PRO A 64 4.223 -15.834 -8.924 1.00 53.43 H new ATOM 0 HG3 PRO A 64 5.678 -16.530 -8.237 1.00 53.43 H new ATOM 0 HD2 PRO A 64 3.339 -16.836 -6.952 1.00 51.14 H new ATOM 0 HD3 PRO A 64 4.793 -16.533 -6.023 1.00 51.14 H new ATOM 967 N SER A 65 2.523 -13.256 -8.531 1.00 10.40 N ATOM 968 CA SER A 65 1.580 -12.467 -9.346 1.00 71.14 C ATOM 969 C SER A 65 0.764 -11.508 -8.457 1.00 72.20 C ATOM 970 O SER A 65 0.593 -10.338 -8.792 1.00 75.32 O ATOM 971 CB SER A 65 0.633 -13.412 -10.120 1.00 62.35 C ATOM 972 OG SER A 65 1.360 -14.357 -10.888 1.00 2.13 O ATOM 0 H SER A 65 2.335 -14.259 -8.544 1.00 10.40 H new ATOM 0 HA SER A 65 2.151 -11.872 -10.059 1.00 71.14 H new ATOM 0 HB2 SER A 65 -0.017 -13.934 -9.417 1.00 62.35 H new ATOM 0 HB3 SER A 65 -0.012 -12.827 -10.776 1.00 62.35 H new ATOM 0 HG SER A 65 0.735 -14.942 -11.365 1.00 2.13 H new ATOM 978 N SER A 66 0.309 -12.034 -7.305 1.00 62.54 N ATOM 979 CA SER A 66 -0.509 -11.297 -6.333 1.00 32.45 C ATOM 980 C SER A 66 0.292 -10.168 -5.655 1.00 32.21 C ATOM 981 O SER A 66 -0.288 -9.154 -5.270 1.00 53.21 O ATOM 982 CB SER A 66 -1.059 -12.281 -5.287 1.00 23.32 C ATOM 983 OG SER A 66 -1.753 -13.355 -5.912 1.00 50.24 O ATOM 0 H SER A 66 0.503 -12.995 -7.023 1.00 62.54 H new ATOM 0 HA SER A 66 -1.338 -10.825 -6.861 1.00 32.45 H new ATOM 0 HB2 SER A 66 -0.239 -12.674 -4.686 1.00 23.32 H new ATOM 0 HB3 SER A 66 -1.730 -11.757 -4.607 1.00 23.32 H new ATOM 0 HG SER A 66 -2.092 -13.968 -5.227 1.00 50.24 H new ATOM 989 N ILE A 67 1.629 -10.355 -5.513 1.00 24.20 N ATOM 990 CA ILE A 67 2.542 -9.302 -5.020 1.00 21.14 C ATOM 991 C ILE A 67 2.509 -8.091 -5.965 1.00 45.44 C ATOM 992 O ILE A 67 2.297 -6.965 -5.526 1.00 15.22 O ATOM 993 CB ILE A 67 4.025 -9.825 -4.909 1.00 12.25 C ATOM 994 CG1 ILE A 67 4.125 -11.036 -3.931 1.00 0.22 C ATOM 995 CG2 ILE A 67 4.996 -8.692 -4.487 1.00 10.03 C ATOM 996 CD1 ILE A 67 5.503 -11.684 -3.840 1.00 74.20 C ATOM 0 H ILE A 67 2.097 -11.233 -5.736 1.00 24.20 H new ATOM 0 HA ILE A 67 2.201 -9.012 -4.026 1.00 21.14 H new ATOM 0 HB ILE A 67 4.324 -10.167 -5.900 1.00 12.25 H new ATOM 0 HG12 ILE A 67 3.831 -10.704 -2.935 1.00 0.22 H new ATOM 0 HG13 ILE A 67 3.405 -11.793 -4.240 1.00 0.22 H new ATOM 0 HG21 ILE A 67 6.010 -9.088 -4.420 1.00 10.03 H new ATOM 0 HG22 ILE A 67 4.966 -7.893 -5.228 1.00 10.03 H new ATOM 0 HG23 ILE A 67 4.695 -8.298 -3.516 1.00 10.03 H new ATOM 0 HD11 ILE A 67 5.469 -12.515 -3.135 1.00 74.20 H new ATOM 0 HD12 ILE A 67 5.797 -12.053 -4.822 1.00 74.20 H new ATOM 0 HD13 ILE A 67 6.230 -10.947 -3.497 1.00 74.20 H new ATOM 1008 N ILE A 68 2.695 -8.365 -7.271 1.00 2.21 N ATOM 1009 CA ILE A 68 2.769 -7.322 -8.312 1.00 3.10 C ATOM 1010 C ILE A 68 1.417 -6.594 -8.440 1.00 42.14 C ATOM 1011 O ILE A 68 1.374 -5.366 -8.487 1.00 64.45 O ATOM 1012 CB ILE A 68 3.196 -7.930 -9.710 1.00 22.43 C ATOM 1013 CG1 ILE A 68 4.558 -8.693 -9.585 1.00 65.44 C ATOM 1014 CG2 ILE A 68 3.283 -6.837 -10.810 1.00 61.53 C ATOM 1015 CD1 ILE A 68 5.064 -9.351 -10.870 1.00 53.03 C ATOM 0 H ILE A 68 2.798 -9.313 -7.633 1.00 2.21 H new ATOM 0 HA ILE A 68 3.532 -6.605 -8.010 1.00 3.10 H new ATOM 0 HB ILE A 68 2.423 -8.638 -10.010 1.00 22.43 H new ATOM 0 HG12 ILE A 68 5.316 -7.993 -9.233 1.00 65.44 H new ATOM 0 HG13 ILE A 68 4.455 -9.462 -8.820 1.00 65.44 H new ATOM 0 HG21 ILE A 68 3.579 -7.294 -11.754 1.00 61.53 H new ATOM 0 HG22 ILE A 68 2.310 -6.360 -10.927 1.00 61.53 H new ATOM 0 HG23 ILE A 68 4.022 -6.089 -10.522 1.00 61.53 H new ATOM 0 HD11 ILE A 68 6.012 -9.851 -10.674 1.00 53.03 H new ATOM 0 HD12 ILE A 68 4.333 -10.082 -11.217 1.00 53.03 H new ATOM 0 HD13 ILE A 68 5.208 -8.589 -11.637 1.00 53.03 H new ATOM 1027 N THR A 69 0.322 -7.375 -8.448 1.00 74.43 N ATOM 1028 CA THR A 69 -1.051 -6.858 -8.589 1.00 22.24 C ATOM 1029 C THR A 69 -1.428 -5.959 -7.405 1.00 62.24 C ATOM 1030 O THR A 69 -1.974 -4.865 -7.605 1.00 75.41 O ATOM 1031 CB THR A 69 -2.080 -8.033 -8.711 1.00 55.05 C ATOM 1032 OG1 THR A 69 -1.646 -8.953 -9.723 1.00 22.21 O ATOM 1033 CG2 THR A 69 -3.503 -7.544 -9.056 1.00 71.45 C ATOM 0 H THR A 69 0.365 -8.390 -8.356 1.00 74.43 H new ATOM 0 HA THR A 69 -1.084 -6.263 -9.502 1.00 22.24 H new ATOM 0 HB THR A 69 -2.123 -8.520 -7.737 1.00 55.05 H new ATOM 0 HG1 THR A 69 -0.909 -9.498 -9.375 1.00 22.21 H new ATOM 0 HG21 THR A 69 -4.174 -8.400 -9.128 1.00 71.45 H new ATOM 0 HG22 THR A 69 -3.856 -6.871 -8.275 1.00 71.45 H new ATOM 0 HG23 THR A 69 -3.485 -7.016 -10.009 1.00 71.45 H new ATOM 1041 N LEU A 70 -1.110 -6.420 -6.179 1.00 65.42 N ATOM 1042 CA LEU A 70 -1.415 -5.676 -4.948 1.00 2.11 C ATOM 1043 C LEU A 70 -0.605 -4.376 -4.901 1.00 72.42 C ATOM 1044 O LEU A 70 -1.171 -3.306 -4.738 1.00 15.31 O ATOM 1045 CB LEU A 70 -1.142 -6.537 -3.683 1.00 3.34 C ATOM 1046 CG LEU A 70 -1.517 -5.878 -2.314 1.00 3.43 C ATOM 1047 CD1 LEU A 70 -3.003 -5.453 -2.270 1.00 63.23 C ATOM 1048 CD2 LEU A 70 -1.169 -6.802 -1.127 1.00 24.32 C ATOM 0 H LEU A 70 -0.639 -7.310 -6.018 1.00 65.42 H new ATOM 0 HA LEU A 70 -2.477 -5.430 -4.956 1.00 2.11 H new ATOM 0 HB2 LEU A 70 -1.694 -7.472 -3.777 1.00 3.34 H new ATOM 0 HB3 LEU A 70 -0.083 -6.793 -3.663 1.00 3.34 H new ATOM 0 HG LEU A 70 -0.915 -4.974 -2.220 1.00 3.43 H new ATOM 0 HD11 LEU A 70 -3.223 -5.000 -1.303 1.00 63.23 H new ATOM 0 HD12 LEU A 70 -3.198 -4.731 -3.062 1.00 63.23 H new ATOM 0 HD13 LEU A 70 -3.636 -6.329 -2.413 1.00 63.23 H new ATOM 0 HD21 LEU A 70 -1.443 -6.312 -0.192 1.00 24.32 H new ATOM 0 HD22 LEU A 70 -1.719 -7.738 -1.221 1.00 24.32 H new ATOM 0 HD23 LEU A 70 -0.099 -7.009 -1.128 1.00 24.32 H new ATOM 1060 N LYS A 71 0.720 -4.494 -5.106 1.00 54.20 N ATOM 1061 CA LYS A 71 1.668 -3.359 -5.078 1.00 2.24 C ATOM 1062 C LYS A 71 1.241 -2.264 -6.076 1.00 13.21 C ATOM 1063 O LYS A 71 1.235 -1.087 -5.732 1.00 74.32 O ATOM 1064 CB LYS A 71 3.110 -3.891 -5.373 1.00 63.41 C ATOM 1065 CG LYS A 71 4.287 -2.874 -5.245 1.00 23.21 C ATOM 1066 CD LYS A 71 4.530 -1.992 -6.508 1.00 12.23 C ATOM 1067 CE LYS A 71 4.868 -2.815 -7.764 1.00 33.42 C ATOM 1068 NZ LYS A 71 5.113 -1.957 -8.944 1.00 44.52 N ATOM 0 H LYS A 71 1.170 -5.389 -5.298 1.00 54.20 H new ATOM 0 HA LYS A 71 1.664 -2.900 -4.089 1.00 2.24 H new ATOM 0 HB2 LYS A 71 3.308 -4.723 -4.697 1.00 63.41 H new ATOM 0 HB3 LYS A 71 3.121 -4.294 -6.386 1.00 63.41 H new ATOM 0 HG2 LYS A 71 4.093 -2.220 -4.395 1.00 23.21 H new ATOM 0 HG3 LYS A 71 5.201 -3.424 -5.022 1.00 23.21 H new ATOM 0 HD2 LYS A 71 3.640 -1.393 -6.702 1.00 12.23 H new ATOM 0 HD3 LYS A 71 5.345 -1.296 -6.307 1.00 12.23 H new ATOM 0 HE2 LYS A 71 5.751 -3.425 -7.570 1.00 33.42 H new ATOM 0 HE3 LYS A 71 4.048 -3.500 -7.979 1.00 33.42 H new ATOM 0 HZ1 LYS A 71 5.778 -2.433 -9.587 1.00 44.52 H new ATOM 0 HZ2 LYS A 71 4.215 -1.784 -9.440 1.00 44.52 H new ATOM 0 HZ3 LYS A 71 5.518 -1.050 -8.636 1.00 44.52 H new ATOM 1082 N ASN A 72 0.859 -2.687 -7.293 1.00 1.12 N ATOM 1083 CA ASN A 72 0.413 -1.781 -8.376 1.00 74.44 C ATOM 1084 C ASN A 72 -0.946 -1.138 -8.063 1.00 72.50 C ATOM 1085 O ASN A 72 -1.147 0.039 -8.353 1.00 72.15 O ATOM 1086 CB ASN A 72 0.354 -2.534 -9.733 1.00 12.51 C ATOM 1087 CG ASN A 72 1.725 -2.771 -10.369 1.00 11.23 C ATOM 1088 OD1 ASN A 72 2.649 -1.972 -10.207 1.00 22.33 O ATOM 1089 ND2 ASN A 72 1.868 -3.867 -11.104 1.00 5.12 N ATOM 0 H ASN A 72 0.849 -3.672 -7.559 1.00 1.12 H new ATOM 0 HA ASN A 72 1.148 -0.979 -8.449 1.00 74.44 H new ATOM 0 HB2 ASN A 72 -0.137 -3.495 -9.583 1.00 12.51 H new ATOM 0 HB3 ASN A 72 -0.264 -1.965 -10.427 1.00 12.51 H new ATOM 0 HD21 ASN A 72 2.762 -4.067 -11.553 1.00 5.12 H new ATOM 0 HD22 ASN A 72 1.084 -4.509 -11.219 1.00 5.12 H new ATOM 1096 N GLY A 73 -1.863 -1.917 -7.461 1.00 30.01 N ATOM 1097 CA GLY A 73 -3.194 -1.424 -7.086 1.00 41.31 C ATOM 1098 C GLY A 73 -3.116 -0.321 -6.035 1.00 35.35 C ATOM 1099 O GLY A 73 -3.729 0.747 -6.182 1.00 52.24 O ATOM 0 H GLY A 73 -1.702 -2.896 -7.224 1.00 30.01 H new ATOM 0 HA2 GLY A 73 -3.704 -1.046 -7.972 1.00 41.31 H new ATOM 0 HA3 GLY A 73 -3.792 -2.250 -6.702 1.00 41.31 H new ATOM 1103 N ILE A 74 -2.313 -0.589 -4.992 1.00 4.04 N ATOM 1104 CA ILE A 74 -2.032 0.366 -3.909 1.00 65.50 C ATOM 1105 C ILE A 74 -1.349 1.612 -4.486 1.00 50.15 C ATOM 1106 O ILE A 74 -1.743 2.732 -4.180 1.00 31.40 O ATOM 1107 CB ILE A 74 -1.087 -0.260 -2.812 1.00 11.35 C ATOM 1108 CG1 ILE A 74 -1.696 -1.561 -2.206 1.00 55.03 C ATOM 1109 CG2 ILE A 74 -0.775 0.765 -1.693 1.00 32.22 C ATOM 1110 CD1 ILE A 74 -0.760 -2.335 -1.281 1.00 61.15 C ATOM 0 H ILE A 74 -1.836 -1.483 -4.877 1.00 4.04 H new ATOM 0 HA ILE A 74 -2.983 0.626 -3.444 1.00 65.50 H new ATOM 0 HB ILE A 74 -0.152 -0.526 -3.305 1.00 11.35 H new ATOM 0 HG12 ILE A 74 -2.597 -1.300 -1.652 1.00 55.03 H new ATOM 0 HG13 ILE A 74 -2.002 -2.216 -3.021 1.00 55.03 H new ATOM 0 HG21 ILE A 74 -0.122 0.306 -0.951 1.00 32.22 H new ATOM 0 HG22 ILE A 74 -0.279 1.635 -2.124 1.00 32.22 H new ATOM 0 HG23 ILE A 74 -1.704 1.076 -1.216 1.00 32.22 H new ATOM 0 HD11 ILE A 74 -1.270 -3.223 -0.908 1.00 61.15 H new ATOM 0 HD12 ILE A 74 0.132 -2.633 -1.832 1.00 61.15 H new ATOM 0 HD13 ILE A 74 -0.473 -1.702 -0.441 1.00 61.15 H new ATOM 1122 N GLN A 75 -0.338 1.370 -5.344 1.00 0.33 N ATOM 1123 CA GLN A 75 0.487 2.418 -5.965 1.00 62.11 C ATOM 1124 C GLN A 75 -0.379 3.419 -6.729 1.00 74.31 C ATOM 1125 O GLN A 75 -0.356 4.598 -6.422 1.00 24.34 O ATOM 1126 CB GLN A 75 1.552 1.776 -6.895 1.00 2.33 C ATOM 1127 CG GLN A 75 2.466 2.772 -7.634 1.00 73.24 C ATOM 1128 CD GLN A 75 3.582 2.115 -8.443 1.00 41.31 C ATOM 1129 OE1 GLN A 75 3.458 0.974 -8.913 1.00 63.22 O ATOM 1130 NE2 GLN A 75 4.670 2.848 -8.642 1.00 11.52 N ATOM 0 H GLN A 75 -0.070 0.427 -5.627 1.00 0.33 H new ATOM 0 HA GLN A 75 1.002 2.967 -5.176 1.00 62.11 H new ATOM 0 HB2 GLN A 75 2.175 1.109 -6.300 1.00 2.33 H new ATOM 0 HB3 GLN A 75 1.041 1.160 -7.634 1.00 2.33 H new ATOM 0 HG2 GLN A 75 1.857 3.380 -8.303 1.00 73.24 H new ATOM 0 HG3 GLN A 75 2.911 3.449 -6.905 1.00 73.24 H new ATOM 0 HE21 GLN A 75 4.736 3.783 -8.239 1.00 11.52 H new ATOM 0 HE22 GLN A 75 5.440 2.477 -9.198 1.00 11.52 H new ATOM 1139 N ASN A 76 -1.184 2.911 -7.672 1.00 51.05 N ATOM 1140 CA ASN A 76 -2.042 3.735 -8.551 1.00 44.13 C ATOM 1141 C ASN A 76 -3.092 4.515 -7.737 1.00 12.34 C ATOM 1142 O ASN A 76 -3.385 5.679 -8.045 1.00 60.15 O ATOM 1143 CB ASN A 76 -2.738 2.845 -9.622 1.00 43.03 C ATOM 1144 CG ASN A 76 -1.797 2.245 -10.686 1.00 43.25 C ATOM 1145 OD1 ASN A 76 -2.206 2.021 -11.825 1.00 62.03 O ATOM 1146 ND2 ASN A 76 -0.546 1.956 -10.343 1.00 34.43 N ATOM 0 H ASN A 76 -1.263 1.910 -7.852 1.00 51.05 H new ATOM 0 HA ASN A 76 -1.404 4.459 -9.057 1.00 44.13 H new ATOM 0 HB2 ASN A 76 -3.254 2.030 -9.115 1.00 43.03 H new ATOM 0 HB3 ASN A 76 -3.500 3.439 -10.127 1.00 43.03 H new ATOM 0 HD21 ASN A 76 0.088 1.543 -11.027 1.00 34.43 H new ATOM 0 HD22 ASN A 76 -0.220 2.147 -9.396 1.00 34.43 H new ATOM 1153 N MET A 77 -3.635 3.862 -6.686 1.00 51.45 N ATOM 1154 CA MET A 77 -4.613 4.482 -5.767 1.00 1.30 C ATOM 1155 C MET A 77 -3.986 5.695 -5.041 1.00 1.02 C ATOM 1156 O MET A 77 -4.570 6.785 -5.002 1.00 5.23 O ATOM 1157 CB MET A 77 -5.090 3.446 -4.719 1.00 62.42 C ATOM 1158 CG MET A 77 -6.168 3.962 -3.750 1.00 43.02 C ATOM 1159 SD MET A 77 -6.260 2.988 -2.234 1.00 12.11 S ATOM 1160 CE MET A 77 -4.660 3.333 -1.505 1.00 54.32 C ATOM 0 H MET A 77 -3.409 2.895 -6.452 1.00 51.45 H new ATOM 0 HA MET A 77 -5.465 4.823 -6.355 1.00 1.30 H new ATOM 0 HB2 MET A 77 -5.479 2.573 -5.242 1.00 62.42 H new ATOM 0 HB3 MET A 77 -4.229 3.113 -4.139 1.00 62.42 H new ATOM 0 HG2 MET A 77 -5.957 5.001 -3.498 1.00 43.02 H new ATOM 0 HG3 MET A 77 -7.137 3.945 -4.248 1.00 43.02 H new ATOM 0 HE1 MET A 77 -4.696 3.128 -0.435 1.00 54.32 H new ATOM 0 HE2 MET A 77 -3.904 2.700 -1.970 1.00 54.32 H new ATOM 0 HE3 MET A 77 -4.405 4.381 -1.666 1.00 54.32 H new ATOM 1170 N LEU A 78 -2.780 5.475 -4.481 1.00 31.15 N ATOM 1171 CA LEU A 78 -2.017 6.496 -3.744 1.00 64.42 C ATOM 1172 C LEU A 78 -1.569 7.626 -4.675 1.00 13.22 C ATOM 1173 O LEU A 78 -1.627 8.773 -4.289 1.00 55.41 O ATOM 1174 CB LEU A 78 -0.784 5.864 -3.043 1.00 35.32 C ATOM 1175 CG LEU A 78 -1.088 4.881 -1.870 1.00 73.34 C ATOM 1176 CD1 LEU A 78 0.196 4.225 -1.339 1.00 32.14 C ATOM 1177 CD2 LEU A 78 -1.856 5.582 -0.729 1.00 42.13 C ATOM 0 H LEU A 78 -2.305 4.573 -4.529 1.00 31.15 H new ATOM 0 HA LEU A 78 -2.675 6.916 -2.983 1.00 64.42 H new ATOM 0 HB2 LEU A 78 -0.199 5.332 -3.793 1.00 35.32 H new ATOM 0 HB3 LEU A 78 -0.157 6.669 -2.661 1.00 35.32 H new ATOM 0 HG LEU A 78 -1.727 4.093 -2.269 1.00 73.34 H new ATOM 0 HD11 LEU A 78 -0.053 3.547 -0.523 1.00 32.14 H new ATOM 0 HD12 LEU A 78 0.678 3.666 -2.141 1.00 32.14 H new ATOM 0 HD13 LEU A 78 0.875 4.996 -0.976 1.00 32.14 H new ATOM 0 HD21 LEU A 78 -2.051 4.868 0.071 1.00 42.13 H new ATOM 0 HD22 LEU A 78 -1.258 6.407 -0.341 1.00 42.13 H new ATOM 0 HD23 LEU A 78 -2.802 5.967 -1.110 1.00 42.13 H new ATOM 1189 N GLN A 79 -1.169 7.276 -5.914 1.00 75.30 N ATOM 1190 CA GLN A 79 -0.677 8.247 -6.921 1.00 3.55 C ATOM 1191 C GLN A 79 -1.801 9.176 -7.390 1.00 34.54 C ATOM 1192 O GLN A 79 -1.544 10.334 -7.727 1.00 35.23 O ATOM 1193 CB GLN A 79 -0.034 7.519 -8.132 1.00 75.13 C ATOM 1194 CG GLN A 79 1.288 6.811 -7.794 1.00 41.53 C ATOM 1195 CD GLN A 79 1.924 6.044 -8.953 1.00 33.02 C ATOM 1196 OE1 GLN A 79 1.235 5.525 -9.835 1.00 61.13 O ATOM 1197 NE2 GLN A 79 3.254 5.958 -8.956 1.00 21.53 N ATOM 0 H GLN A 79 -1.177 6.312 -6.248 1.00 75.30 H new ATOM 0 HA GLN A 79 0.090 8.856 -6.442 1.00 3.55 H new ATOM 0 HB2 GLN A 79 -0.740 6.785 -8.521 1.00 75.13 H new ATOM 0 HB3 GLN A 79 0.144 8.243 -8.927 1.00 75.13 H new ATOM 0 HG2 GLN A 79 2.000 7.555 -7.436 1.00 41.53 H new ATOM 0 HG3 GLN A 79 1.111 6.117 -6.972 1.00 41.53 H new ATOM 0 HE21 GLN A 79 3.795 6.398 -8.212 1.00 21.53 H new ATOM 0 HE22 GLN A 79 3.731 5.452 -9.702 1.00 21.53 H new ATOM 1206 N PHE A 80 -3.045 8.652 -7.385 1.00 74.02 N ATOM 1207 CA PHE A 80 -4.243 9.400 -7.804 1.00 0.34 C ATOM 1208 C PHE A 80 -4.447 10.641 -6.909 1.00 41.44 C ATOM 1209 O PHE A 80 -4.645 11.752 -7.409 1.00 0.12 O ATOM 1210 CB PHE A 80 -5.487 8.467 -7.760 1.00 3.13 C ATOM 1211 CG PHE A 80 -6.786 9.101 -8.290 1.00 53.24 C ATOM 1212 CD1 PHE A 80 -7.062 9.130 -9.665 1.00 30.42 C ATOM 1213 CD2 PHE A 80 -7.731 9.664 -7.421 1.00 12.13 C ATOM 1214 CE1 PHE A 80 -8.224 9.707 -10.147 1.00 0.21 C ATOM 1215 CE2 PHE A 80 -8.890 10.239 -7.906 1.00 2.42 C ATOM 1216 CZ PHE A 80 -9.141 10.258 -9.267 1.00 11.03 C ATOM 0 H PHE A 80 -3.244 7.696 -7.089 1.00 74.02 H new ATOM 0 HA PHE A 80 -4.107 9.748 -8.828 1.00 0.34 H new ATOM 0 HB2 PHE A 80 -5.273 7.571 -8.342 1.00 3.13 H new ATOM 0 HB3 PHE A 80 -5.648 8.148 -6.730 1.00 3.13 H new ATOM 0 HD1 PHE A 80 -6.357 8.695 -10.358 1.00 30.42 H new ATOM 0 HD2 PHE A 80 -7.550 9.648 -6.356 1.00 12.13 H new ATOM 0 HE1 PHE A 80 -8.416 9.728 -11.210 1.00 0.21 H new ATOM 0 HE2 PHE A 80 -9.602 10.675 -7.221 1.00 2.42 H new ATOM 0 HZ PHE A 80 -10.051 10.702 -9.643 1.00 11.03 H new ATOM 1226 N TYR A 81 -4.361 10.428 -5.584 1.00 61.01 N ATOM 1227 CA TYR A 81 -4.555 11.491 -4.573 1.00 74.10 C ATOM 1228 C TYR A 81 -3.227 12.216 -4.265 1.00 3.23 C ATOM 1229 O TYR A 81 -3.220 13.404 -3.939 1.00 63.33 O ATOM 1230 CB TYR A 81 -5.135 10.882 -3.270 1.00 55.02 C ATOM 1231 CG TYR A 81 -6.513 10.229 -3.442 1.00 42.24 C ATOM 1232 CD1 TYR A 81 -7.659 11.014 -3.598 1.00 42.30 C ATOM 1233 CD2 TYR A 81 -6.671 8.839 -3.449 1.00 73.10 C ATOM 1234 CE1 TYR A 81 -8.903 10.443 -3.750 1.00 13.33 C ATOM 1235 CE2 TYR A 81 -7.916 8.264 -3.602 1.00 71.32 C ATOM 1236 CZ TYR A 81 -9.030 9.070 -3.754 1.00 42.12 C ATOM 1237 OH TYR A 81 -10.278 8.505 -3.901 1.00 2.53 O ATOM 0 H TYR A 81 -4.155 9.514 -5.180 1.00 61.01 H new ATOM 0 HA TYR A 81 -5.257 12.220 -4.978 1.00 74.10 H new ATOM 0 HB2 TYR A 81 -4.437 10.137 -2.888 1.00 55.02 H new ATOM 0 HB3 TYR A 81 -5.208 11.666 -2.516 1.00 55.02 H new ATOM 0 HD1 TYR A 81 -7.567 12.090 -3.599 1.00 42.30 H new ATOM 0 HD2 TYR A 81 -5.804 8.205 -3.333 1.00 73.10 H new ATOM 0 HE1 TYR A 81 -9.776 11.068 -3.866 1.00 13.33 H new ATOM 0 HE2 TYR A 81 -8.020 7.189 -3.603 1.00 71.32 H new ATOM 0 HH TYR A 81 -10.290 7.944 -4.704 1.00 2.53 H new ATOM 1247 N ILE A 82 -2.111 11.478 -4.386 1.00 2.12 N ATOM 1248 CA ILE A 82 -0.775 11.910 -3.940 1.00 72.13 C ATOM 1249 C ILE A 82 0.240 11.665 -5.082 1.00 41.42 C ATOM 1250 O ILE A 82 0.760 10.547 -5.216 1.00 2.24 O ATOM 1251 CB ILE A 82 -0.316 11.108 -2.650 1.00 4.14 C ATOM 1252 CG1 ILE A 82 -1.405 11.144 -1.529 1.00 1.31 C ATOM 1253 CG2 ILE A 82 1.041 11.622 -2.120 1.00 2.10 C ATOM 1254 CD1 ILE A 82 -1.145 10.216 -0.359 1.00 71.14 C ATOM 0 H ILE A 82 -2.112 10.548 -4.804 1.00 2.12 H new ATOM 0 HA ILE A 82 -0.817 12.970 -3.688 1.00 72.13 H new ATOM 0 HB ILE A 82 -0.186 10.068 -2.949 1.00 4.14 H new ATOM 0 HG12 ILE A 82 -1.487 12.164 -1.154 1.00 1.31 H new ATOM 0 HG13 ILE A 82 -2.369 10.889 -1.970 1.00 1.31 H new ATOM 0 HG21 ILE A 82 1.326 11.051 -1.236 1.00 2.10 H new ATOM 0 HG22 ILE A 82 1.802 11.501 -2.891 1.00 2.10 H new ATOM 0 HG23 ILE A 82 0.954 12.677 -1.858 1.00 2.10 H new ATOM 0 HD11 ILE A 82 -1.953 10.310 0.367 1.00 71.14 H new ATOM 0 HD12 ILE A 82 -1.095 9.187 -0.715 1.00 71.14 H new ATOM 0 HD13 ILE A 82 -0.200 10.482 0.114 1.00 71.14 H new ATOM 1266 N PRO A 83 0.521 12.689 -5.946 1.00 65.12 N ATOM 1267 CA PRO A 83 1.528 12.563 -7.036 1.00 75.32 C ATOM 1268 C PRO A 83 2.989 12.519 -6.510 1.00 55.44 C ATOM 1269 O PRO A 83 3.935 12.353 -7.293 1.00 40.13 O ATOM 1270 CB PRO A 83 1.254 13.815 -7.910 1.00 62.45 C ATOM 1271 CG PRO A 83 0.671 14.821 -6.963 1.00 31.42 C ATOM 1272 CD PRO A 83 -0.138 14.024 -5.957 1.00 13.43 C ATOM 0 HA PRO A 83 1.433 11.627 -7.586 1.00 75.32 H new ATOM 0 HB2 PRO A 83 2.171 14.187 -8.367 1.00 62.45 H new ATOM 0 HB3 PRO A 83 0.562 13.588 -8.721 1.00 62.45 H new ATOM 0 HG2 PRO A 83 1.456 15.392 -6.468 1.00 31.42 H new ATOM 0 HG3 PRO A 83 0.041 15.536 -7.492 1.00 31.42 H new ATOM 0 HD2 PRO A 83 -0.118 14.488 -4.971 1.00 13.43 H new ATOM 0 HD3 PRO A 83 -1.184 13.951 -6.254 1.00 13.43 H new ATOM 1280 N GLU A 84 3.153 12.670 -5.179 1.00 11.42 N ATOM 1281 CA GLU A 84 4.449 12.518 -4.483 1.00 44.31 C ATOM 1282 C GLU A 84 4.881 11.038 -4.487 1.00 64.32 C ATOM 1283 O GLU A 84 6.078 10.731 -4.449 1.00 74.34 O ATOM 1284 CB GLU A 84 4.354 13.046 -3.020 1.00 35.44 C ATOM 1285 CG GLU A 84 4.185 14.578 -2.867 1.00 61.24 C ATOM 1286 CD GLU A 84 2.932 15.147 -3.556 1.00 31.03 C ATOM 1287 OE1 GLU A 84 1.804 14.791 -3.152 1.00 21.12 O ATOM 1288 OE2 GLU A 84 3.065 15.947 -4.506 1.00 72.53 O ATOM 0 H GLU A 84 2.383 12.903 -4.551 1.00 11.42 H new ATOM 0 HA GLU A 84 5.197 13.108 -5.013 1.00 44.31 H new ATOM 0 HB2 GLU A 84 3.512 12.556 -2.531 1.00 35.44 H new ATOM 0 HB3 GLU A 84 5.254 12.743 -2.485 1.00 35.44 H new ATOM 0 HG2 GLU A 84 4.145 14.824 -1.806 1.00 61.24 H new ATOM 0 HG3 GLU A 84 5.066 15.072 -3.276 1.00 61.24 H new ATOM 1295 N VAL A 85 3.879 10.132 -4.515 1.00 24.04 N ATOM 1296 CA VAL A 85 4.109 8.688 -4.648 1.00 71.25 C ATOM 1297 C VAL A 85 4.593 8.388 -6.079 1.00 52.42 C ATOM 1298 O VAL A 85 3.833 8.507 -7.047 1.00 43.24 O ATOM 1299 CB VAL A 85 2.810 7.854 -4.318 1.00 13.42 C ATOM 1300 CG1 VAL A 85 3.053 6.323 -4.473 1.00 34.24 C ATOM 1301 CG2 VAL A 85 2.281 8.190 -2.898 1.00 1.42 C ATOM 0 H VAL A 85 2.894 10.386 -4.446 1.00 24.04 H new ATOM 0 HA VAL A 85 4.871 8.390 -3.927 1.00 71.25 H new ATOM 0 HB VAL A 85 2.047 8.138 -5.043 1.00 13.42 H new ATOM 0 HG11 VAL A 85 2.136 5.783 -4.237 1.00 34.24 H new ATOM 0 HG12 VAL A 85 3.350 6.104 -5.499 1.00 34.24 H new ATOM 0 HG13 VAL A 85 3.844 6.009 -3.792 1.00 34.24 H new ATOM 0 HG21 VAL A 85 1.386 7.602 -2.695 1.00 1.42 H new ATOM 0 HG22 VAL A 85 3.046 7.953 -2.159 1.00 1.42 H new ATOM 0 HG23 VAL A 85 2.039 9.251 -2.842 1.00 1.42 H new ATOM 1311 N GLU A 86 5.884 8.091 -6.209 1.00 20.23 N ATOM 1312 CA GLU A 86 6.483 7.626 -7.465 1.00 64.22 C ATOM 1313 C GLU A 86 6.463 6.096 -7.512 1.00 34.51 C ATOM 1314 O GLU A 86 6.276 5.497 -8.576 1.00 53.33 O ATOM 1315 CB GLU A 86 7.928 8.160 -7.588 1.00 22.13 C ATOM 1316 CG GLU A 86 8.026 9.692 -7.500 1.00 21.23 C ATOM 1317 CD GLU A 86 9.461 10.202 -7.667 1.00 0.42 C ATOM 1318 OE1 GLU A 86 10.242 10.131 -6.698 1.00 4.41 O ATOM 1319 OE2 GLU A 86 9.816 10.678 -8.766 1.00 42.23 O ATOM 0 H GLU A 86 6.552 8.166 -5.442 1.00 20.23 H new ATOM 0 HA GLU A 86 5.904 8.006 -8.306 1.00 64.22 H new ATOM 0 HB2 GLU A 86 8.538 7.719 -6.800 1.00 22.13 H new ATOM 0 HB3 GLU A 86 8.349 7.831 -8.538 1.00 22.13 H new ATOM 0 HG2 GLU A 86 7.394 10.137 -8.269 1.00 21.23 H new ATOM 0 HG3 GLU A 86 7.637 10.022 -6.537 1.00 21.23 H new ATOM 1326 N GLY A 87 6.614 5.471 -6.328 1.00 51.33 N ATOM 1327 CA GLY A 87 6.675 4.019 -6.220 1.00 71.12 C ATOM 1328 C GLY A 87 6.167 3.498 -4.886 1.00 41.22 C ATOM 1329 O GLY A 87 5.950 4.262 -3.944 1.00 23.03 O ATOM 0 H GLY A 87 6.695 5.960 -5.436 1.00 51.33 H new ATOM 0 HA2 GLY A 87 6.087 3.576 -7.024 1.00 71.12 H new ATOM 0 HA3 GLY A 87 7.705 3.693 -6.362 1.00 71.12 H new ATOM 1333 N VAL A 88 5.970 2.175 -4.841 1.00 22.43 N ATOM 1334 CA VAL A 88 5.603 1.409 -3.634 1.00 11.53 C ATOM 1335 C VAL A 88 6.533 0.185 -3.581 1.00 13.42 C ATOM 1336 O VAL A 88 6.794 -0.439 -4.618 1.00 53.53 O ATOM 1337 CB VAL A 88 4.078 0.971 -3.632 1.00 1.52 C ATOM 1338 CG1 VAL A 88 3.742 -0.018 -2.478 1.00 13.22 C ATOM 1339 CG2 VAL A 88 3.150 2.211 -3.552 1.00 24.42 C ATOM 0 H VAL A 88 6.064 1.585 -5.668 1.00 22.43 H new ATOM 0 HA VAL A 88 5.725 2.034 -2.749 1.00 11.53 H new ATOM 0 HB VAL A 88 3.904 0.448 -4.572 1.00 1.52 H new ATOM 0 HG11 VAL A 88 2.686 -0.285 -2.523 1.00 13.22 H new ATOM 0 HG12 VAL A 88 4.349 -0.918 -2.582 1.00 13.22 H new ATOM 0 HG13 VAL A 88 3.956 0.455 -1.520 1.00 13.22 H new ATOM 0 HG21 VAL A 88 2.109 1.887 -3.552 1.00 24.42 H new ATOM 0 HG22 VAL A 88 3.358 2.763 -2.635 1.00 24.42 H new ATOM 0 HG23 VAL A 88 3.329 2.856 -4.412 1.00 24.42 H new ATOM 1349 N GLU A 89 7.057 -0.131 -2.388 1.00 31.40 N ATOM 1350 CA GLU A 89 8.096 -1.164 -2.212 1.00 0.15 C ATOM 1351 C GLU A 89 7.641 -2.201 -1.180 1.00 13.12 C ATOM 1352 O GLU A 89 7.176 -1.842 -0.091 1.00 14.34 O ATOM 1353 CB GLU A 89 9.419 -0.485 -1.775 1.00 41.14 C ATOM 1354 CG GLU A 89 10.630 -1.421 -1.626 1.00 51.41 C ATOM 1355 CD GLU A 89 11.922 -0.650 -1.282 1.00 0.14 C ATOM 1356 OE1 GLU A 89 12.146 -0.337 -0.095 1.00 42.11 O ATOM 1357 OE2 GLU A 89 12.702 -0.323 -2.205 1.00 61.54 O ATOM 0 H GLU A 89 6.775 0.320 -1.517 1.00 31.40 H new ATOM 0 HA GLU A 89 8.262 -1.684 -3.155 1.00 0.15 H new ATOM 0 HB2 GLU A 89 9.667 0.288 -2.503 1.00 41.14 H new ATOM 0 HB3 GLU A 89 9.251 0.017 -0.822 1.00 41.14 H new ATOM 0 HG2 GLU A 89 10.427 -2.154 -0.845 1.00 51.41 H new ATOM 0 HG3 GLU A 89 10.775 -1.975 -2.553 1.00 51.41 H new ATOM 1364 N GLN A 90 7.778 -3.487 -1.537 1.00 33.40 N ATOM 1365 CA GLN A 90 7.491 -4.606 -0.635 1.00 3.44 C ATOM 1366 C GLN A 90 8.733 -4.861 0.225 1.00 44.42 C ATOM 1367 O GLN A 90 9.763 -5.322 -0.289 1.00 50.15 O ATOM 1368 CB GLN A 90 7.126 -5.892 -1.420 1.00 75.21 C ATOM 1369 CG GLN A 90 6.837 -7.117 -0.519 1.00 73.11 C ATOM 1370 CD GLN A 90 6.731 -8.437 -1.276 1.00 72.31 C ATOM 1371 OE1 GLN A 90 7.391 -8.638 -2.296 1.00 65.01 O ATOM 1372 NE2 GLN A 90 5.894 -9.339 -0.793 1.00 62.31 N ATOM 0 H GLN A 90 8.092 -3.778 -2.463 1.00 33.40 H new ATOM 0 HA GLN A 90 6.634 -4.348 -0.012 1.00 3.44 H new ATOM 0 HB2 GLN A 90 6.250 -5.693 -2.037 1.00 75.21 H new ATOM 0 HB3 GLN A 90 7.944 -6.137 -2.097 1.00 75.21 H new ATOM 0 HG2 GLN A 90 7.628 -7.201 0.226 1.00 73.11 H new ATOM 0 HG3 GLN A 90 5.906 -6.945 0.022 1.00 73.11 H new ATOM 0 HE21 GLN A 90 5.363 -9.140 0.055 1.00 62.31 H new ATOM 0 HE22 GLN A 90 5.780 -10.234 -1.268 1.00 62.31 H new ATOM 1381 N VAL A 91 8.648 -4.522 1.511 1.00 65.43 N ATOM 1382 CA VAL A 91 9.709 -4.762 2.495 1.00 32.12 C ATOM 1383 C VAL A 91 9.227 -5.809 3.512 1.00 44.03 C ATOM 1384 O VAL A 91 8.306 -5.550 4.295 1.00 41.15 O ATOM 1385 CB VAL A 91 10.148 -3.414 3.211 1.00 3.11 C ATOM 1386 CG1 VAL A 91 11.031 -2.554 2.279 1.00 2.43 C ATOM 1387 CG2 VAL A 91 8.923 -2.583 3.678 1.00 54.52 C ATOM 0 H VAL A 91 7.827 -4.065 1.907 1.00 65.43 H new ATOM 0 HA VAL A 91 10.591 -5.146 1.983 1.00 32.12 H new ATOM 0 HB VAL A 91 10.725 -3.698 4.091 1.00 3.11 H new ATOM 0 HG11 VAL A 91 11.318 -1.637 2.794 1.00 2.43 H new ATOM 0 HG12 VAL A 91 11.927 -3.113 2.008 1.00 2.43 H new ATOM 0 HG13 VAL A 91 10.472 -2.304 1.377 1.00 2.43 H new ATOM 0 HG21 VAL A 91 9.267 -1.669 4.163 1.00 54.52 H new ATOM 0 HG22 VAL A 91 8.307 -2.327 2.816 1.00 54.52 H new ATOM 0 HG23 VAL A 91 8.334 -3.169 4.384 1.00 54.52 H new