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+ 173:sc= 1 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.857 K(o=1.9,f=-3.8) USER MOD Set 2.1: A 61 THR OG1 : rot -45:sc= 0.529 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.219 K(o=0.31,f=-0.88!) USER MOD Single : A 22 MET CE :methyl -159:sc= -0.122 (180deg=-0.618) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -73:sc= 0.865 USER MOD Single : A 34 THR OG1 : rot 106:sc= 0.606 USER MOD Single : A 36 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.22) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.951 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00493 K(o=-0.0049,f=-1.5) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.892 X(o=-0.89,f=-0.62) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -48:sc= -3.19 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00384 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 -116:sc= 0.0507 USER MOD Single : A 69 THR OG1 : rot 80:sc= 0.333 USER MOD Single : A 75 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.48) USER MOD Single : A 76 ASN : amide:sc= 0.751 K(o=0.75,f=0) USER MOD Single : A 77 MET CE :methyl 172:sc= -0.726 (180deg=-0.891) USER MOD Single : A 79 GLN : amide:sc= 0.187 K(o=0.19,f=-0.36) USER MOD Single : A 81 TYR OH : rot 30:sc= 0.121 USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 4.207 14.678 7.306 1.00 51.22 N ATOM 242 CA ASP A 17 3.392 13.839 8.192 1.00 72.53 C ATOM 243 C ASP A 17 1.907 13.886 7.793 1.00 65.50 C ATOM 244 O ASP A 17 1.164 12.963 8.108 1.00 43.22 O ATOM 245 CB ASP A 17 3.576 14.277 9.672 1.00 54.21 C ATOM 246 CG ASP A 17 2.987 15.667 9.984 1.00 74.41 C ATOM 247 OD1 ASP A 17 3.559 16.679 9.527 1.00 3.43 O ATOM 248 OD2 ASP A 17 1.938 15.751 10.656 1.00 1.55 O ATOM 0 HA ASP A 17 3.732 12.809 8.088 1.00 72.53 H new ATOM 0 HB2 ASP A 17 3.106 13.539 10.321 1.00 54.21 H new ATOM 0 HB3 ASP A 17 4.639 14.281 9.911 1.00 54.21 H new ATOM 253 N GLY A 18 1.490 14.973 7.114 1.00 5.33 N ATOM 254 CA GLY A 18 0.138 15.070 6.563 1.00 50.21 C ATOM 255 C GLY A 18 -0.094 14.065 5.436 1.00 22.55 C ATOM 256 O GLY A 18 -1.138 13.392 5.399 1.00 71.11 O ATOM 0 H GLY A 18 2.074 15.791 6.938 1.00 5.33 H new ATOM 0 HA2 GLY A 18 -0.590 14.900 7.356 1.00 50.21 H new ATOM 0 HA3 GLY A 18 -0.029 16.080 6.188 1.00 50.21 H new ATOM 260 N VAL A 19 0.904 13.964 4.523 1.00 34.40 N ATOM 261 CA VAL A 19 0.918 12.969 3.434 1.00 15.54 C ATOM 262 C VAL A 19 0.910 11.538 4.018 1.00 55.01 C ATOM 263 O VAL A 19 0.051 10.729 3.669 1.00 50.32 O ATOM 264 CB VAL A 19 2.170 13.160 2.488 1.00 15.22 C ATOM 265 CG1 VAL A 19 2.185 12.114 1.349 1.00 22.32 C ATOM 266 CG2 VAL A 19 2.220 14.593 1.901 1.00 5.33 C ATOM 0 H VAL A 19 1.721 14.574 4.526 1.00 34.40 H new ATOM 0 HA VAL A 19 0.019 13.120 2.836 1.00 15.54 H new ATOM 0 HB VAL A 19 3.059 13.009 3.101 1.00 15.22 H new ATOM 0 HG11 VAL A 19 3.059 12.275 0.718 1.00 22.32 H new ATOM 0 HG12 VAL A 19 2.225 11.112 1.776 1.00 22.32 H new ATOM 0 HG13 VAL A 19 1.281 12.217 0.749 1.00 22.32 H new ATOM 0 HG21 VAL A 19 3.093 14.691 1.255 1.00 5.33 H new ATOM 0 HG22 VAL A 19 1.316 14.780 1.321 1.00 5.33 H new ATOM 0 HG23 VAL A 19 2.286 15.317 2.713 1.00 5.33 H new ATOM 276 N VAL A 20 1.856 11.279 4.948 1.00 41.43 N ATOM 277 CA VAL A 20 2.025 9.980 5.637 1.00 22.40 C ATOM 278 C VAL A 20 0.709 9.517 6.312 1.00 15.12 C ATOM 279 O VAL A 20 0.299 8.365 6.146 1.00 63.31 O ATOM 280 CB VAL A 20 3.201 10.075 6.693 1.00 21.04 C ATOM 281 CG1 VAL A 20 3.265 8.841 7.630 1.00 22.32 C ATOM 282 CG2 VAL A 20 4.562 10.275 5.968 1.00 62.50 C ATOM 0 H VAL A 20 2.535 11.979 5.246 1.00 41.43 H new ATOM 0 HA VAL A 20 2.284 9.230 4.889 1.00 22.40 H new ATOM 0 HB VAL A 20 2.994 10.940 7.323 1.00 21.04 H new ATOM 0 HG11 VAL A 20 4.089 8.960 8.333 1.00 22.32 H new ATOM 0 HG12 VAL A 20 2.328 8.753 8.181 1.00 22.32 H new ATOM 0 HG13 VAL A 20 3.422 7.941 7.036 1.00 22.32 H new ATOM 0 HG21 VAL A 20 5.362 10.339 6.706 1.00 62.50 H new ATOM 0 HG22 VAL A 20 4.748 9.431 5.304 1.00 62.50 H new ATOM 0 HG23 VAL A 20 4.532 11.196 5.385 1.00 62.50 H new ATOM 292 N ALA A 21 0.056 10.448 7.033 1.00 72.24 N ATOM 293 CA ALA A 21 -1.206 10.193 7.762 1.00 21.30 C ATOM 294 C ALA A 21 -2.343 9.761 6.821 1.00 62.22 C ATOM 295 O ALA A 21 -3.046 8.782 7.101 1.00 42.13 O ATOM 296 CB ALA A 21 -1.627 11.442 8.558 1.00 24.33 C ATOM 0 H ALA A 21 0.390 11.407 7.128 1.00 72.24 H new ATOM 0 HA ALA A 21 -1.019 9.369 8.451 1.00 21.30 H new ATOM 0 HB1 ALA A 21 -2.557 11.239 9.089 1.00 24.33 H new ATOM 0 HB2 ALA A 21 -0.847 11.696 9.276 1.00 24.33 H new ATOM 0 HB3 ALA A 21 -1.775 12.277 7.873 1.00 24.33 H new ATOM 302 N MET A 22 -2.523 10.496 5.704 1.00 11.25 N ATOM 303 CA MET A 22 -3.614 10.207 4.755 1.00 75.41 C ATOM 304 C MET A 22 -3.311 8.955 3.914 1.00 63.21 C ATOM 305 O MET A 22 -4.242 8.322 3.432 1.00 65.23 O ATOM 306 CB MET A 22 -3.952 11.422 3.849 1.00 22.54 C ATOM 307 CG MET A 22 -2.871 11.829 2.845 1.00 62.20 C ATOM 308 SD MET A 22 -3.438 13.114 1.709 1.00 12.11 S ATOM 309 CE MET A 22 -4.749 12.286 0.806 1.00 51.24 C ATOM 0 H MET A 22 -1.933 11.285 5.440 1.00 11.25 H new ATOM 0 HA MET A 22 -4.501 10.004 5.355 1.00 75.41 H new ATOM 0 HB2 MET A 22 -4.865 11.197 3.299 1.00 22.54 H new ATOM 0 HB3 MET A 22 -4.168 12.278 4.488 1.00 22.54 H new ATOM 0 HG2 MET A 22 -1.993 12.186 3.384 1.00 62.20 H new ATOM 0 HG3 MET A 22 -2.561 10.954 2.274 1.00 62.20 H new ATOM 0 HE1 MET A 22 -4.923 12.802 -0.138 1.00 51.24 H new ATOM 0 HE2 MET A 22 -4.459 11.254 0.608 1.00 51.24 H new ATOM 0 HE3 MET A 22 -5.663 12.298 1.399 1.00 51.24 H new ATOM 319 N ILE A 23 -2.011 8.592 3.755 1.00 54.41 N ATOM 320 CA ILE A 23 -1.623 7.307 3.134 1.00 1.11 C ATOM 321 C ILE A 23 -2.090 6.161 4.047 1.00 70.33 C ATOM 322 O ILE A 23 -2.720 5.220 3.570 1.00 24.01 O ATOM 323 CB ILE A 23 -0.065 7.182 2.858 1.00 65.13 C ATOM 324 CG1 ILE A 23 0.411 8.218 1.793 1.00 11.41 C ATOM 325 CG2 ILE A 23 0.324 5.747 2.416 1.00 40.34 C ATOM 326 CD1 ILE A 23 1.911 8.209 1.499 1.00 60.54 C ATOM 0 H ILE A 23 -1.223 9.169 4.047 1.00 54.41 H new ATOM 0 HA ILE A 23 -2.106 7.255 2.158 1.00 1.11 H new ATOM 0 HB ILE A 23 0.440 7.398 3.799 1.00 65.13 H new ATOM 0 HG12 ILE A 23 -0.126 8.031 0.863 1.00 11.41 H new ATOM 0 HG13 ILE A 23 0.129 9.216 2.129 1.00 11.41 H new ATOM 0 HG21 ILE A 23 1.398 5.700 2.236 1.00 40.34 H new ATOM 0 HG22 ILE A 23 0.056 5.039 3.201 1.00 40.34 H new ATOM 0 HG23 ILE A 23 -0.209 5.491 1.500 1.00 40.34 H new ATOM 0 HD11 ILE A 23 2.139 8.964 0.747 1.00 60.54 H new ATOM 0 HD12 ILE A 23 2.462 8.430 2.413 1.00 60.54 H new ATOM 0 HD13 ILE A 23 2.203 7.227 1.127 1.00 60.54 H new ATOM 338 N LYS A 24 -1.804 6.286 5.368 1.00 12.02 N ATOM 339 CA LYS A 24 -2.241 5.311 6.391 1.00 1.11 C ATOM 340 C LYS A 24 -3.768 5.129 6.369 1.00 31.14 C ATOM 341 O LYS A 24 -4.255 4.021 6.560 1.00 61.14 O ATOM 342 CB LYS A 24 -1.801 5.753 7.813 1.00 2.51 C ATOM 343 CG LYS A 24 -0.282 5.774 8.041 1.00 25.33 C ATOM 344 CD LYS A 24 0.088 6.129 9.502 1.00 50.24 C ATOM 345 CE LYS A 24 1.599 6.135 9.755 1.00 73.34 C ATOM 346 NZ LYS A 24 1.942 6.301 11.189 1.00 61.42 N ATOM 0 H LYS A 24 -1.266 7.064 5.749 1.00 12.02 H new ATOM 0 HA LYS A 24 -1.764 4.361 6.149 1.00 1.11 H new ATOM 0 HB2 LYS A 24 -2.197 6.750 8.007 1.00 2.51 H new ATOM 0 HB3 LYS A 24 -2.254 5.082 8.543 1.00 2.51 H new ATOM 0 HG2 LYS A 24 0.134 4.798 7.790 1.00 25.33 H new ATOM 0 HG3 LYS A 24 0.174 6.499 7.367 1.00 25.33 H new ATOM 0 HD2 LYS A 24 -0.319 7.110 9.745 1.00 50.24 H new ATOM 0 HD3 LYS A 24 -0.384 5.413 10.174 1.00 50.24 H new ATOM 0 HE2 LYS A 24 2.028 5.202 9.389 1.00 73.34 H new ATOM 0 HE3 LYS A 24 2.055 6.942 9.181 1.00 73.34 H new ATOM 0 HZ1 LYS A 24 2.976 6.298 11.301 1.00 61.42 H new ATOM 0 HZ2 LYS A 24 1.559 7.204 11.535 1.00 61.42 H new ATOM 0 HZ3 LYS A 24 1.532 5.518 11.737 1.00 61.42 H new ATOM 360 N GLU A 25 -4.495 6.234 6.128 1.00 10.20 N ATOM 361 CA GLU A 25 -5.958 6.239 6.053 1.00 20.33 C ATOM 362 C GLU A 25 -6.441 5.490 4.795 1.00 53.01 C ATOM 363 O GLU A 25 -7.273 4.592 4.899 1.00 1.53 O ATOM 364 CB GLU A 25 -6.480 7.694 6.064 1.00 45.21 C ATOM 365 CG GLU A 25 -8.019 7.817 6.030 1.00 53.51 C ATOM 366 CD GLU A 25 -8.509 9.267 6.116 1.00 0.10 C ATOM 367 OE1 GLU A 25 -8.703 9.774 7.238 1.00 33.11 O ATOM 368 OE2 GLU A 25 -8.681 9.916 5.066 1.00 31.11 O ATOM 0 H GLU A 25 -4.077 7.152 5.979 1.00 10.20 H new ATOM 0 HA GLU A 25 -6.358 5.719 6.924 1.00 20.33 H new ATOM 0 HB2 GLU A 25 -6.107 8.195 6.957 1.00 45.21 H new ATOM 0 HB3 GLU A 25 -6.066 8.223 5.206 1.00 45.21 H new ATOM 0 HG2 GLU A 25 -8.393 7.367 5.110 1.00 53.51 H new ATOM 0 HG3 GLU A 25 -8.441 7.247 6.858 1.00 53.51 H new ATOM 375 N LEU A 26 -5.877 5.850 3.618 1.00 62.25 N ATOM 376 CA LEU A 26 -6.248 5.254 2.312 1.00 70.51 C ATOM 377 C LEU A 26 -5.937 3.747 2.281 1.00 41.31 C ATOM 378 O LEU A 26 -6.617 2.980 1.601 1.00 75.31 O ATOM 379 CB LEU A 26 -5.494 5.968 1.150 1.00 32.13 C ATOM 380 CG LEU A 26 -5.838 7.468 0.908 1.00 12.24 C ATOM 381 CD1 LEU A 26 -4.922 8.083 -0.164 1.00 13.42 C ATOM 382 CD2 LEU A 26 -7.316 7.651 0.541 1.00 52.33 C ATOM 0 H LEU A 26 -5.151 6.563 3.547 1.00 62.25 H new ATOM 0 HA LEU A 26 -7.321 5.390 2.180 1.00 70.51 H new ATOM 0 HB2 LEU A 26 -4.424 5.891 1.341 1.00 32.13 H new ATOM 0 HB3 LEU A 26 -5.693 5.421 0.229 1.00 32.13 H new ATOM 0 HG LEU A 26 -5.662 7.999 1.843 1.00 12.24 H new ATOM 0 HD11 LEU A 26 -5.186 9.130 -0.311 1.00 13.42 H new ATOM 0 HD12 LEU A 26 -3.884 8.013 0.161 1.00 13.42 H new ATOM 0 HD13 LEU A 26 -5.046 7.542 -1.102 1.00 13.42 H new ATOM 0 HD21 LEU A 26 -7.522 8.709 0.379 1.00 52.33 H new ATOM 0 HD22 LEU A 26 -7.536 7.095 -0.370 1.00 52.33 H new ATOM 0 HD23 LEU A 26 -7.941 7.280 1.353 1.00 52.33 H new ATOM 394 N LEU A 27 -4.895 3.340 3.013 1.00 11.11 N ATOM 395 CA LEU A 27 -4.561 1.933 3.197 1.00 54.34 C ATOM 396 C LEU A 27 -5.598 1.286 4.122 1.00 13.43 C ATOM 397 O LEU A 27 -6.238 0.327 3.741 1.00 74.22 O ATOM 398 CB LEU A 27 -3.131 1.775 3.766 1.00 52.53 C ATOM 399 CG LEU A 27 -1.977 2.245 2.830 1.00 63.23 C ATOM 400 CD1 LEU A 27 -0.625 2.188 3.549 1.00 24.53 C ATOM 401 CD2 LEU A 27 -1.951 1.435 1.519 1.00 32.12 C ATOM 0 H LEU A 27 -4.262 3.980 3.493 1.00 11.11 H new ATOM 0 HA LEU A 27 -4.582 1.429 2.231 1.00 54.34 H new ATOM 0 HB2 LEU A 27 -3.067 2.334 4.700 1.00 52.53 H new ATOM 0 HB3 LEU A 27 -2.971 0.725 4.011 1.00 52.53 H new ATOM 0 HG LEU A 27 -2.168 3.285 2.566 1.00 63.23 H new ATOM 0 HD11 LEU A 27 0.161 2.521 2.872 1.00 24.53 H new ATOM 0 HD12 LEU A 27 -0.650 2.838 4.424 1.00 24.53 H new ATOM 0 HD13 LEU A 27 -0.423 1.164 3.863 1.00 24.53 H new ATOM 0 HD21 LEU A 27 -1.134 1.788 0.889 1.00 32.12 H new ATOM 0 HD22 LEU A 27 -1.803 0.379 1.746 1.00 32.12 H new ATOM 0 HD23 LEU A 27 -2.897 1.564 0.993 1.00 32.12 H new ATOM 413 N ASP A 28 -5.811 1.888 5.303 1.00 74.01 N ATOM 414 CA ASP A 28 -6.611 1.285 6.394 1.00 41.34 C ATOM 415 C ASP A 28 -8.068 1.006 5.973 1.00 71.44 C ATOM 416 O ASP A 28 -8.576 -0.095 6.186 1.00 44.34 O ATOM 417 CB ASP A 28 -6.582 2.191 7.652 1.00 64.11 C ATOM 418 CG ASP A 28 -7.278 1.551 8.862 1.00 23.00 C ATOM 419 OD1 ASP A 28 -6.632 0.753 9.573 1.00 21.13 O ATOM 420 OD2 ASP A 28 -8.475 1.822 9.103 1.00 54.21 O ATOM 0 H ASP A 28 -5.435 2.808 5.534 1.00 74.01 H new ATOM 0 HA ASP A 28 -6.153 0.324 6.629 1.00 41.34 H new ATOM 0 HB2 ASP A 28 -5.547 2.414 7.910 1.00 64.11 H new ATOM 0 HB3 ASP A 28 -7.065 3.141 7.421 1.00 64.11 H new ATOM 425 N THR A 29 -8.702 2.005 5.371 1.00 44.30 N ATOM 426 CA THR A 29 -10.136 1.976 5.043 1.00 11.41 C ATOM 427 C THR A 29 -10.424 1.208 3.743 1.00 20.25 C ATOM 428 O THR A 29 -11.442 0.518 3.637 1.00 44.12 O ATOM 429 CB THR A 29 -10.694 3.435 4.940 1.00 54.12 C ATOM 430 OG1 THR A 29 -9.878 4.224 4.051 1.00 5.22 O ATOM 431 CG2 THR A 29 -10.760 4.121 6.314 1.00 62.33 C ATOM 0 H THR A 29 -8.238 2.869 5.091 1.00 44.30 H new ATOM 0 HA THR A 29 -10.641 1.446 5.850 1.00 11.41 H new ATOM 0 HB THR A 29 -11.707 3.364 4.545 1.00 54.12 H new ATOM 0 HG1 THR A 29 -9.024 4.429 4.486 1.00 5.22 H new ATOM 0 HG21 THR A 29 -11.153 5.131 6.198 1.00 62.33 H new ATOM 0 HG22 THR A 29 -11.414 3.551 6.974 1.00 62.33 H new ATOM 0 HG23 THR A 29 -9.760 4.168 6.746 1.00 62.33 H new ATOM 439 N ARG A 30 -9.522 1.328 2.762 1.00 44.12 N ATOM 440 CA ARG A 30 -9.768 0.845 1.393 1.00 34.24 C ATOM 441 C ARG A 30 -9.036 -0.477 1.116 1.00 12.53 C ATOM 442 O ARG A 30 -9.653 -1.456 0.693 1.00 1.14 O ATOM 443 CB ARG A 30 -9.310 1.924 0.390 1.00 33.40 C ATOM 444 CG ARG A 30 -9.902 3.344 0.626 1.00 3.24 C ATOM 445 CD ARG A 30 -9.218 4.444 -0.229 1.00 13.45 C ATOM 446 NE ARG A 30 -9.691 4.519 -1.629 1.00 23.43 N ATOM 447 CZ ARG A 30 -9.274 3.753 -2.650 1.00 22.41 C ATOM 448 NH1 ARG A 30 -8.361 2.805 -2.470 1.00 64.33 N ATOM 449 NH2 ARG A 30 -9.718 3.994 -3.864 1.00 44.33 N ATOM 0 H ARG A 30 -8.606 1.759 2.890 1.00 44.12 H new ATOM 0 HA ARG A 30 -10.835 0.656 1.280 1.00 34.24 H new ATOM 0 HB2 ARG A 30 -8.223 1.991 0.425 1.00 33.40 H new ATOM 0 HB3 ARG A 30 -9.577 1.599 -0.616 1.00 33.40 H new ATOM 0 HG2 ARG A 30 -10.968 3.328 0.399 1.00 3.24 H new ATOM 0 HG3 ARG A 30 -9.804 3.600 1.681 1.00 3.24 H new ATOM 0 HD2 ARG A 30 -9.381 5.410 0.248 1.00 13.45 H new ATOM 0 HD3 ARG A 30 -8.142 4.267 -0.232 1.00 13.45 H new ATOM 0 HE ARG A 30 -10.402 5.220 -1.839 1.00 23.43 H new ATOM 0 HH11 ARG A 30 -7.964 2.649 -1.544 1.00 64.33 H new ATOM 0 HH12 ARG A 30 -8.057 2.233 -3.258 1.00 64.33 H new ATOM 0 HH21 ARG A 30 -10.374 4.758 -4.025 1.00 44.33 H new ATOM 0 HH22 ARG A 30 -9.406 3.417 -4.645 1.00 44.33 H new ATOM 463 N ILE A 31 -7.712 -0.495 1.378 1.00 63.22 N ATOM 464 CA ILE A 31 -6.813 -1.585 0.949 1.00 71.34 C ATOM 465 C ILE A 31 -6.810 -2.742 1.968 1.00 33.01 C ATOM 466 O ILE A 31 -7.132 -3.866 1.597 1.00 11.21 O ATOM 467 CB ILE A 31 -5.349 -1.044 0.718 1.00 40.41 C ATOM 468 CG1 ILE A 31 -5.336 0.155 -0.286 1.00 23.50 C ATOM 469 CG2 ILE A 31 -4.388 -2.160 0.250 1.00 65.12 C ATOM 470 CD1 ILE A 31 -5.829 -0.153 -1.690 1.00 2.53 C ATOM 0 H ILE A 31 -7.237 0.246 1.893 1.00 63.22 H new ATOM 0 HA ILE A 31 -7.190 -1.974 0.003 1.00 71.34 H new ATOM 0 HB ILE A 31 -4.990 -0.684 1.682 1.00 40.41 H new ATOM 0 HG12 ILE A 31 -5.949 0.956 0.126 1.00 23.50 H new ATOM 0 HG13 ILE A 31 -4.317 0.536 -0.354 1.00 23.50 H new ATOM 0 HG21 ILE A 31 -3.391 -1.744 0.103 1.00 65.12 H new ATOM 0 HG22 ILE A 31 -4.346 -2.944 1.006 1.00 65.12 H new ATOM 0 HG23 ILE A 31 -4.748 -2.580 -0.689 1.00 65.12 H new ATOM 0 HD11 ILE A 31 -5.777 0.749 -2.300 1.00 2.53 H new ATOM 0 HD12 ILE A 31 -5.204 -0.928 -2.133 1.00 2.53 H new ATOM 0 HD13 ILE A 31 -6.861 -0.501 -1.645 1.00 2.53 H new ATOM 482 N ARG A 32 -6.463 -2.434 3.250 1.00 32.03 N ATOM 483 CA ARG A 32 -6.324 -3.427 4.343 1.00 73.44 C ATOM 484 C ARG A 32 -7.496 -4.449 4.388 1.00 14.42 C ATOM 485 O ARG A 32 -7.205 -5.634 4.311 1.00 14.12 O ATOM 486 CB ARG A 32 -6.156 -2.762 5.751 1.00 61.24 C ATOM 487 CG ARG A 32 -4.811 -2.042 6.007 1.00 74.25 C ATOM 488 CD ARG A 32 -4.617 -1.674 7.491 1.00 11.10 C ATOM 489 NE ARG A 32 -4.611 -2.883 8.342 1.00 54.31 N ATOM 490 CZ ARG A 32 -5.151 -3.003 9.570 1.00 64.24 C ATOM 491 NH1 ARG A 32 -5.776 -1.986 10.164 1.00 71.50 N ATOM 492 NH2 ARG A 32 -5.103 -4.180 10.182 1.00 22.51 N ATOM 0 H ARG A 32 -6.271 -1.479 3.551 1.00 32.03 H new ATOM 0 HA ARG A 32 -5.408 -3.968 4.106 1.00 73.44 H new ATOM 0 HB2 ARG A 32 -6.962 -2.042 5.889 1.00 61.24 H new ATOM 0 HB3 ARG A 32 -6.283 -3.532 6.512 1.00 61.24 H new ATOM 0 HG2 ARG A 32 -3.991 -2.683 5.684 1.00 74.25 H new ATOM 0 HG3 ARG A 32 -4.765 -1.137 5.402 1.00 74.25 H new ATOM 0 HD2 ARG A 32 -3.679 -1.133 7.615 1.00 11.10 H new ATOM 0 HD3 ARG A 32 -5.416 -1.004 7.810 1.00 11.10 H new ATOM 0 HE ARG A 32 -4.151 -3.710 7.961 1.00 54.31 H new ATOM 0 HH11 ARG A 32 -5.855 -1.088 9.688 1.00 71.50 H new ATOM 0 HH12 ARG A 32 -6.175 -2.106 11.095 1.00 71.50 H new ATOM 0 HH21 ARG A 32 -4.662 -4.976 9.722 1.00 22.51 H new ATOM 0 HH22 ARG A 32 -5.507 -4.288 11.112 1.00 22.51 H new ATOM 506 N PRO A 33 -8.824 -4.023 4.489 1.00 43.21 N ATOM 507 CA PRO A 33 -9.955 -4.984 4.614 1.00 32.52 C ATOM 508 C PRO A 33 -10.045 -5.931 3.394 1.00 40.32 C ATOM 509 O PRO A 33 -10.342 -7.108 3.552 1.00 74.44 O ATOM 510 CB PRO A 33 -11.206 -4.069 4.772 1.00 62.24 C ATOM 511 CG PRO A 33 -10.800 -2.747 4.185 1.00 12.12 C ATOM 512 CD PRO A 33 -9.327 -2.614 4.480 1.00 22.43 C ATOM 0 HA PRO A 33 -9.843 -5.664 5.459 1.00 32.52 H new ATOM 0 HB2 PRO A 33 -12.067 -4.485 4.249 1.00 62.24 H new ATOM 0 HB3 PRO A 33 -11.489 -3.965 5.820 1.00 62.24 H new ATOM 0 HG2 PRO A 33 -10.990 -2.718 3.112 1.00 12.12 H new ATOM 0 HG3 PRO A 33 -11.366 -1.929 4.631 1.00 12.12 H new ATOM 0 HD2 PRO A 33 -8.822 -2.016 3.722 1.00 22.43 H new ATOM 0 HD3 PRO A 33 -9.156 -2.124 5.439 1.00 22.43 H new ATOM 520 N THR A 34 -9.725 -5.396 2.195 1.00 53.53 N ATOM 521 CA THR A 34 -9.711 -6.152 0.926 1.00 62.21 C ATOM 522 C THR A 34 -8.616 -7.249 0.944 1.00 45.44 C ATOM 523 O THR A 34 -8.854 -8.399 0.550 1.00 71.12 O ATOM 524 CB THR A 34 -9.479 -5.157 -0.269 1.00 3.54 C ATOM 525 OG1 THR A 34 -10.472 -4.120 -0.227 1.00 30.04 O ATOM 526 CG2 THR A 34 -9.529 -5.837 -1.644 1.00 53.51 C ATOM 0 H THR A 34 -9.466 -4.416 2.082 1.00 53.53 H new ATOM 0 HA THR A 34 -10.673 -6.650 0.800 1.00 62.21 H new ATOM 0 HB THR A 34 -8.476 -4.749 -0.146 1.00 3.54 H new ATOM 0 HG1 THR A 34 -10.061 -3.286 0.083 1.00 30.04 H new ATOM 0 HG21 THR A 34 -9.361 -5.094 -2.424 1.00 53.51 H new ATOM 0 HG22 THR A 34 -8.755 -6.602 -1.700 1.00 53.51 H new ATOM 0 HG23 THR A 34 -10.506 -6.298 -1.786 1.00 53.51 H new ATOM 534 N VAL A 35 -7.418 -6.864 1.419 1.00 44.45 N ATOM 535 CA VAL A 35 -6.250 -7.760 1.535 1.00 43.30 C ATOM 536 C VAL A 35 -6.455 -8.783 2.684 1.00 44.11 C ATOM 537 O VAL A 35 -5.921 -9.897 2.638 1.00 55.02 O ATOM 538 CB VAL A 35 -4.926 -6.918 1.746 1.00 12.10 C ATOM 539 CG1 VAL A 35 -3.662 -7.804 1.752 1.00 2.02 C ATOM 540 CG2 VAL A 35 -4.799 -5.830 0.657 1.00 43.43 C ATOM 0 H VAL A 35 -7.230 -5.913 1.737 1.00 44.45 H new ATOM 0 HA VAL A 35 -6.149 -8.320 0.606 1.00 43.30 H new ATOM 0 HB VAL A 35 -5.002 -6.447 2.726 1.00 12.10 H new ATOM 0 HG11 VAL A 35 -2.781 -7.180 1.900 1.00 2.02 H new ATOM 0 HG12 VAL A 35 -3.731 -8.531 2.561 1.00 2.02 H new ATOM 0 HG13 VAL A 35 -3.580 -8.328 0.799 1.00 2.02 H new ATOM 0 HG21 VAL A 35 -3.884 -5.260 0.817 1.00 43.43 H new ATOM 0 HG22 VAL A 35 -4.767 -6.301 -0.326 1.00 43.43 H new ATOM 0 HG23 VAL A 35 -5.657 -5.160 0.710 1.00 43.43 H new ATOM 550 N GLN A 36 -7.265 -8.406 3.694 1.00 55.21 N ATOM 551 CA GLN A 36 -7.629 -9.296 4.819 1.00 20.53 C ATOM 552 C GLN A 36 -8.738 -10.287 4.402 1.00 34.32 C ATOM 553 O GLN A 36 -8.842 -11.373 4.983 1.00 41.34 O ATOM 554 CB GLN A 36 -8.029 -8.480 6.078 1.00 54.51 C ATOM 555 CG GLN A 36 -6.871 -7.640 6.663 1.00 31.22 C ATOM 556 CD GLN A 36 -7.241 -6.808 7.892 1.00 5.31 C ATOM 557 OE1 GLN A 36 -8.075 -7.202 8.698 1.00 20.21 O ATOM 558 NE2 GLN A 36 -6.642 -5.639 8.035 1.00 5.02 N ATOM 0 H GLN A 36 -7.685 -7.479 3.754 1.00 55.21 H new ATOM 0 HA GLN A 36 -6.749 -9.882 5.084 1.00 20.53 H new ATOM 0 HB2 GLN A 36 -8.856 -7.817 5.824 1.00 54.51 H new ATOM 0 HB3 GLN A 36 -8.394 -9.164 6.844 1.00 54.51 H new ATOM 0 HG2 GLN A 36 -6.052 -8.309 6.928 1.00 31.22 H new ATOM 0 HG3 GLN A 36 -6.498 -6.971 5.887 1.00 31.22 H new ATOM 0 HE21 GLN A 36 -5.951 -5.333 7.350 1.00 5.02 H new ATOM 0 HE22 GLN A 36 -6.871 -5.043 8.830 1.00 5.02 H new ATOM 567 N GLU A 37 -9.550 -9.909 3.393 1.00 42.12 N ATOM 568 CA GLU A 37 -10.485 -10.838 2.721 1.00 24.23 C ATOM 569 C GLU A 37 -9.713 -11.777 1.782 1.00 43.22 C ATOM 570 O GLU A 37 -10.173 -12.882 1.480 1.00 11.34 O ATOM 571 CB GLU A 37 -11.579 -10.063 1.935 1.00 1.15 C ATOM 572 CG GLU A 37 -12.556 -9.269 2.828 1.00 42.44 C ATOM 573 CD GLU A 37 -13.291 -10.155 3.855 1.00 22.33 C ATOM 574 OE1 GLU A 37 -14.229 -10.874 3.466 1.00 55.42 O ATOM 575 OE2 GLU A 37 -12.921 -10.149 5.053 1.00 33.31 O ATOM 0 H GLU A 37 -9.577 -8.959 3.023 1.00 42.12 H new ATOM 0 HA GLU A 37 -10.982 -11.433 3.487 1.00 24.23 H new ATOM 0 HB2 GLU A 37 -11.094 -9.374 1.244 1.00 1.15 H new ATOM 0 HB3 GLU A 37 -12.148 -10.771 1.333 1.00 1.15 H new ATOM 0 HG2 GLU A 37 -12.006 -8.491 3.356 1.00 42.44 H new ATOM 0 HG3 GLU A 37 -13.290 -8.768 2.197 1.00 42.44 H new ATOM 582 N ASP A 38 -8.545 -11.312 1.308 1.00 62.34 N ATOM 583 CA ASP A 38 -7.607 -12.145 0.536 1.00 4.54 C ATOM 584 C ASP A 38 -6.786 -13.050 1.483 1.00 53.15 C ATOM 585 O ASP A 38 -6.263 -14.082 1.057 1.00 35.12 O ATOM 586 CB ASP A 38 -6.683 -11.245 -0.329 1.00 12.00 C ATOM 587 CG ASP A 38 -5.773 -12.041 -1.275 1.00 72.53 C ATOM 588 OD1 ASP A 38 -6.298 -12.670 -2.211 1.00 2.21 O ATOM 589 OD2 ASP A 38 -4.539 -12.057 -1.088 1.00 73.23 O ATOM 0 H ASP A 38 -8.225 -10.354 1.448 1.00 62.34 H new ATOM 0 HA ASP A 38 -8.173 -12.792 -0.134 1.00 4.54 H new ATOM 0 HB2 ASP A 38 -7.298 -10.563 -0.916 1.00 12.00 H new ATOM 0 HB3 ASP A 38 -6.066 -10.632 0.328 1.00 12.00 H new ATOM 594 N GLY A 39 -6.693 -12.669 2.772 1.00 4.21 N ATOM 595 CA GLY A 39 -6.112 -13.536 3.805 1.00 40.34 C ATOM 596 C GLY A 39 -5.032 -12.857 4.629 1.00 13.32 C ATOM 597 O GLY A 39 -4.865 -13.174 5.814 1.00 4.12 O ATOM 0 H GLY A 39 -7.014 -11.765 3.119 1.00 4.21 H new ATOM 0 HA2 GLY A 39 -6.905 -13.877 4.470 1.00 40.34 H new ATOM 0 HA3 GLY A 39 -5.692 -14.422 3.330 1.00 40.34 H new ATOM 601 N GLY A 40 -4.284 -11.933 4.001 1.00 51.11 N ATOM 602 CA GLY A 40 -3.148 -11.256 4.646 1.00 73.14 C ATOM 603 C GLY A 40 -3.485 -9.848 5.094 1.00 52.24 C ATOM 604 O GLY A 40 -4.560 -9.631 5.643 1.00 35.31 O ATOM 0 H GLY A 40 -4.449 -11.637 3.039 1.00 51.11 H new ATOM 0 HA2 GLY A 40 -2.824 -11.840 5.508 1.00 73.14 H new ATOM 0 HA3 GLY A 40 -2.309 -11.221 3.951 1.00 73.14 H new ATOM 608 N ASP A 41 -2.552 -8.894 4.868 1.00 21.14 N ATOM 609 CA ASP A 41 -2.718 -7.478 5.264 1.00 13.45 C ATOM 610 C ASP A 41 -1.547 -6.640 4.709 1.00 41.11 C ATOM 611 O ASP A 41 -0.517 -7.191 4.289 1.00 11.40 O ATOM 612 CB ASP A 41 -2.806 -7.350 6.820 1.00 22.41 C ATOM 613 CG ASP A 41 -3.296 -5.987 7.338 1.00 71.21 C ATOM 614 OD1 ASP A 41 -4.025 -5.283 6.608 1.00 5.31 O ATOM 615 OD2 ASP A 41 -2.988 -5.625 8.496 1.00 53.31 O ATOM 0 H ASP A 41 -1.663 -9.086 4.406 1.00 21.14 H new ATOM 0 HA ASP A 41 -3.649 -7.098 4.844 1.00 13.45 H new ATOM 0 HB2 ASP A 41 -3.474 -8.125 7.195 1.00 22.41 H new ATOM 0 HB3 ASP A 41 -1.820 -7.548 7.241 1.00 22.41 H new ATOM 620 N VAL A 42 -1.719 -5.305 4.714 1.00 35.51 N ATOM 621 CA VAL A 42 -0.695 -4.335 4.283 1.00 40.34 C ATOM 622 C VAL A 42 -0.315 -3.432 5.489 1.00 4.40 C ATOM 623 O VAL A 42 -1.137 -2.666 6.013 1.00 32.11 O ATOM 624 CB VAL A 42 -1.159 -3.475 3.031 1.00 71.31 C ATOM 625 CG1 VAL A 42 -1.328 -4.370 1.781 1.00 73.32 C ATOM 626 CG2 VAL A 42 -2.465 -2.693 3.307 1.00 12.02 C ATOM 0 H VAL A 42 -2.585 -4.864 5.022 1.00 35.51 H new ATOM 0 HA VAL A 42 0.185 -4.886 3.951 1.00 40.34 H new ATOM 0 HB VAL A 42 -0.373 -2.744 2.843 1.00 71.31 H new ATOM 0 HG11 VAL A 42 -1.646 -3.759 0.936 1.00 73.32 H new ATOM 0 HG12 VAL A 42 -0.378 -4.849 1.545 1.00 73.32 H new ATOM 0 HG13 VAL A 42 -2.080 -5.134 1.980 1.00 73.32 H new ATOM 0 HG21 VAL A 42 -2.741 -2.121 2.421 1.00 12.02 H new ATOM 0 HG22 VAL A 42 -3.264 -3.393 3.550 1.00 12.02 H new ATOM 0 HG23 VAL A 42 -2.312 -2.013 4.145 1.00 12.02 H new ATOM 636 N ILE A 43 0.929 -3.590 5.972 1.00 11.33 N ATOM 637 CA ILE A 43 1.463 -2.847 7.128 1.00 21.13 C ATOM 638 C ILE A 43 2.309 -1.693 6.601 1.00 60.03 C ATOM 639 O ILE A 43 3.292 -1.916 5.890 1.00 31.34 O ATOM 640 CB ILE A 43 2.332 -3.756 8.102 1.00 52.41 C ATOM 641 CG1 ILE A 43 1.457 -4.817 8.858 1.00 11.03 C ATOM 642 CG2 ILE A 43 3.137 -2.905 9.126 1.00 11.34 C ATOM 643 CD1 ILE A 43 0.843 -5.897 7.990 1.00 25.15 C ATOM 0 H ILE A 43 1.599 -4.244 5.567 1.00 11.33 H new ATOM 0 HA ILE A 43 0.621 -2.484 7.717 1.00 21.13 H new ATOM 0 HB ILE A 43 3.039 -4.289 7.466 1.00 52.41 H new ATOM 0 HG12 ILE A 43 2.074 -5.295 9.619 1.00 11.03 H new ATOM 0 HG13 ILE A 43 0.655 -4.295 9.379 1.00 11.03 H new ATOM 0 HG21 ILE A 43 3.716 -3.565 9.772 1.00 11.34 H new ATOM 0 HG22 ILE A 43 3.812 -2.236 8.592 1.00 11.34 H new ATOM 0 HG23 ILE A 43 2.448 -2.318 9.733 1.00 11.34 H new ATOM 0 HD11 ILE A 43 0.260 -6.576 8.612 1.00 25.15 H new ATOM 0 HD12 ILE A 43 0.193 -5.439 7.245 1.00 25.15 H new ATOM 0 HD13 ILE A 43 1.634 -6.454 7.488 1.00 25.15 H new ATOM 655 N TYR A 44 1.919 -0.464 6.947 1.00 21.23 N ATOM 656 CA TYR A 44 2.647 0.739 6.557 1.00 13.01 C ATOM 657 C TYR A 44 3.930 0.844 7.395 1.00 25.35 C ATOM 658 O TYR A 44 3.882 1.132 8.596 1.00 3.45 O ATOM 659 CB TYR A 44 1.754 1.993 6.722 1.00 53.13 C ATOM 660 CG TYR A 44 2.415 3.302 6.269 1.00 74.13 C ATOM 661 CD1 TYR A 44 2.465 3.660 4.924 1.00 1.01 C ATOM 662 CD2 TYR A 44 2.969 4.187 7.188 1.00 1.00 C ATOM 663 CE1 TYR A 44 3.040 4.848 4.525 1.00 32.42 C ATOM 664 CE2 TYR A 44 3.530 5.368 6.791 1.00 51.22 C ATOM 665 CZ TYR A 44 3.564 5.698 5.469 1.00 23.11 C ATOM 666 OH TYR A 44 4.101 6.891 5.097 1.00 12.33 O ATOM 0 H TYR A 44 1.087 -0.278 7.507 1.00 21.23 H new ATOM 0 HA TYR A 44 2.922 0.677 5.504 1.00 13.01 H new ATOM 0 HB2 TYR A 44 0.835 1.848 6.154 1.00 53.13 H new ATOM 0 HB3 TYR A 44 1.469 2.087 7.770 1.00 53.13 H new ATOM 0 HD1 TYR A 44 2.047 2.996 4.182 1.00 1.01 H new ATOM 0 HD2 TYR A 44 2.955 3.935 8.238 1.00 1.00 H new ATOM 0 HE1 TYR A 44 3.078 5.109 3.478 1.00 32.42 H new ATOM 0 HE2 TYR A 44 3.947 6.041 7.526 1.00 51.22 H new ATOM 0 HH TYR A 44 3.649 7.216 4.290 1.00 12.33 H new ATOM 676 N LYS A 45 5.067 0.581 6.742 1.00 20.30 N ATOM 677 CA LYS A 45 6.394 0.664 7.358 1.00 52.12 C ATOM 678 C LYS A 45 6.967 2.074 7.211 1.00 2.24 C ATOM 679 O LYS A 45 7.530 2.612 8.169 1.00 11.01 O ATOM 680 CB LYS A 45 7.330 -0.395 6.721 1.00 71.22 C ATOM 681 CG LYS A 45 7.005 -1.853 7.130 1.00 14.22 C ATOM 682 CD LYS A 45 7.341 -2.125 8.617 1.00 24.25 C ATOM 683 CE LYS A 45 7.187 -3.602 9.000 1.00 14.13 C ATOM 684 NZ LYS A 45 7.725 -3.896 10.354 1.00 13.22 N ATOM 0 H LYS A 45 5.091 0.302 5.761 1.00 20.30 H new ATOM 0 HA LYS A 45 6.310 0.454 8.424 1.00 52.12 H new ATOM 0 HB2 LYS A 45 7.270 -0.311 5.636 1.00 71.22 H new ATOM 0 HB3 LYS A 45 8.359 -0.171 7.002 1.00 71.22 H new ATOM 0 HG2 LYS A 45 5.948 -2.052 6.955 1.00 14.22 H new ATOM 0 HG3 LYS A 45 7.568 -2.541 6.499 1.00 14.22 H new ATOM 0 HD2 LYS A 45 8.364 -1.807 8.818 1.00 24.25 H new ATOM 0 HD3 LYS A 45 6.690 -1.521 9.248 1.00 24.25 H new ATOM 0 HE2 LYS A 45 6.133 -3.876 8.964 1.00 14.13 H new ATOM 0 HE3 LYS A 45 7.702 -4.221 8.265 1.00 14.13 H new ATOM 0 HZ1 LYS A 45 7.598 -4.906 10.566 1.00 13.22 H new ATOM 0 HZ2 LYS A 45 8.738 -3.661 10.384 1.00 13.22 H new ATOM 0 HZ3 LYS A 45 7.217 -3.327 11.061 1.00 13.22 H new ATOM 698 N GLY A 46 6.800 2.679 6.019 1.00 70.33 N ATOM 699 CA GLY A 46 7.364 4.008 5.770 1.00 20.30 C ATOM 700 C GLY A 46 7.003 4.600 4.425 1.00 40.34 C ATOM 701 O GLY A 46 6.220 4.021 3.664 1.00 41.32 O ATOM 0 H GLY A 46 6.290 2.275 5.233 1.00 70.33 H new ATOM 0 HA2 GLY A 46 7.025 4.685 6.554 1.00 20.30 H new ATOM 0 HA3 GLY A 46 8.450 3.949 5.847 1.00 20.30 H new ATOM 705 N PHE A 47 7.588 5.777 4.161 1.00 63.55 N ATOM 706 CA PHE A 47 7.438 6.538 2.918 1.00 13.41 C ATOM 707 C PHE A 47 8.675 7.435 2.786 1.00 75.21 C ATOM 708 O PHE A 47 8.835 8.412 3.530 1.00 62.20 O ATOM 709 CB PHE A 47 6.138 7.378 2.977 1.00 43.41 C ATOM 710 CG PHE A 47 5.895 8.365 1.838 1.00 42.14 C ATOM 711 CD1 PHE A 47 5.672 7.918 0.540 1.00 3.32 C ATOM 712 CD2 PHE A 47 5.869 9.742 2.074 1.00 71.43 C ATOM 713 CE1 PHE A 47 5.424 8.808 -0.483 1.00 74.22 C ATOM 714 CE2 PHE A 47 5.619 10.628 1.051 1.00 2.41 C ATOM 715 CZ PHE A 47 5.399 10.162 -0.231 1.00 4.20 C ATOM 0 H PHE A 47 8.200 6.240 4.833 1.00 63.55 H new ATOM 0 HA PHE A 47 7.363 5.880 2.052 1.00 13.41 H new ATOM 0 HB2 PHE A 47 5.293 6.691 3.015 1.00 43.41 H new ATOM 0 HB3 PHE A 47 6.138 7.936 3.914 1.00 43.41 H new ATOM 0 HD1 PHE A 47 5.693 6.859 0.331 1.00 3.32 H new ATOM 0 HD2 PHE A 47 6.047 10.116 3.072 1.00 71.43 H new ATOM 0 HE1 PHE A 47 5.249 8.443 -1.484 1.00 74.22 H new ATOM 0 HE2 PHE A 47 5.595 11.689 1.251 1.00 2.41 H new ATOM 0 HZ PHE A 47 5.208 10.858 -1.034 1.00 4.20 H new ATOM 725 N GLU A 48 9.549 7.082 1.844 1.00 14.04 N ATOM 726 CA GLU A 48 10.810 7.788 1.587 1.00 1.33 C ATOM 727 C GLU A 48 11.046 7.775 0.083 1.00 74.34 C ATOM 728 O GLU A 48 10.856 6.732 -0.546 1.00 22.33 O ATOM 729 CB GLU A 48 12.043 7.128 2.303 1.00 5.51 C ATOM 730 CG GLU A 48 12.053 7.148 3.862 1.00 44.12 C ATOM 731 CD GLU A 48 11.354 5.934 4.513 1.00 15.43 C ATOM 732 OE1 GLU A 48 11.824 4.791 4.312 1.00 10.53 O ATOM 733 OE2 GLU A 48 10.350 6.111 5.240 1.00 62.54 O ATOM 0 H GLU A 48 9.401 6.284 1.226 1.00 14.04 H new ATOM 0 HA GLU A 48 10.720 8.799 1.984 1.00 1.33 H new ATOM 0 HB2 GLU A 48 12.107 6.090 1.978 1.00 5.51 H new ATOM 0 HB3 GLU A 48 12.946 7.628 1.952 1.00 5.51 H new ATOM 0 HG2 GLU A 48 13.086 7.187 4.208 1.00 44.12 H new ATOM 0 HG3 GLU A 48 11.567 8.061 4.206 1.00 44.12 H new ATOM 740 N ASP A 49 11.437 8.940 -0.479 1.00 52.33 N ATOM 741 CA ASP A 49 11.767 9.105 -1.915 1.00 31.34 C ATOM 742 C ASP A 49 10.526 8.816 -2.794 1.00 62.11 C ATOM 743 O ASP A 49 10.630 8.412 -3.953 1.00 21.24 O ATOM 744 CB ASP A 49 12.982 8.202 -2.289 1.00 35.24 C ATOM 745 CG ASP A 49 13.646 8.544 -3.634 1.00 62.53 C ATOM 746 OD1 ASP A 49 14.117 9.692 -3.800 1.00 22.42 O ATOM 747 OD2 ASP A 49 13.721 7.672 -4.522 1.00 61.42 O ATOM 0 H ASP A 49 11.534 9.803 0.056 1.00 52.33 H new ATOM 0 HA ASP A 49 12.056 10.139 -2.105 1.00 31.34 H new ATOM 0 HB2 ASP A 49 13.730 8.278 -1.500 1.00 35.24 H new ATOM 0 HB3 ASP A 49 12.651 7.164 -2.316 1.00 35.24 H new ATOM 752 N GLY A 50 9.341 9.076 -2.218 1.00 73.52 N ATOM 753 CA GLY A 50 8.059 8.833 -2.885 1.00 71.45 C ATOM 754 C GLY A 50 7.640 7.368 -2.891 1.00 5.34 C ATOM 755 O GLY A 50 6.564 7.030 -3.392 1.00 54.54 O ATOM 0 H GLY A 50 9.249 9.460 -1.278 1.00 73.52 H new ATOM 0 HA2 GLY A 50 7.285 9.421 -2.391 1.00 71.45 H new ATOM 0 HA3 GLY A 50 8.122 9.188 -3.914 1.00 71.45 H new ATOM 759 N ILE A 51 8.483 6.504 -2.323 1.00 43.54 N ATOM 760 CA ILE A 51 8.280 5.060 -2.311 1.00 63.25 C ATOM 761 C ILE A 51 7.613 4.656 -0.983 1.00 12.20 C ATOM 762 O ILE A 51 8.230 4.741 0.086 1.00 74.02 O ATOM 763 CB ILE A 51 9.649 4.307 -2.519 1.00 34.23 C ATOM 764 CG1 ILE A 51 10.374 4.799 -3.819 1.00 33.01 C ATOM 765 CG2 ILE A 51 9.452 2.779 -2.547 1.00 11.10 C ATOM 766 CD1 ILE A 51 9.575 4.652 -5.103 1.00 12.13 C ATOM 0 H ILE A 51 9.339 6.796 -1.851 1.00 43.54 H new ATOM 0 HA ILE A 51 7.625 4.775 -3.134 1.00 63.25 H new ATOM 0 HB ILE A 51 10.285 4.545 -1.667 1.00 34.23 H new ATOM 0 HG12 ILE A 51 10.638 5.849 -3.693 1.00 33.01 H new ATOM 0 HG13 ILE A 51 11.307 4.246 -3.926 1.00 33.01 H new ATOM 0 HG21 ILE A 51 10.416 2.291 -2.692 1.00 11.10 H new ATOM 0 HG22 ILE A 51 9.017 2.451 -1.603 1.00 11.10 H new ATOM 0 HG23 ILE A 51 8.784 2.513 -3.366 1.00 11.10 H new ATOM 0 HD11 ILE A 51 10.164 5.020 -5.943 1.00 12.13 H new ATOM 0 HD12 ILE A 51 9.333 3.601 -5.263 1.00 12.13 H new ATOM 0 HD13 ILE A 51 8.653 5.229 -5.026 1.00 12.13 H new ATOM 778 N VAL A 52 6.328 4.275 -1.077 1.00 72.42 N ATOM 779 CA VAL A 52 5.514 3.845 0.064 1.00 61.52 C ATOM 780 C VAL A 52 5.874 2.391 0.397 1.00 23.43 C ATOM 781 O VAL A 52 5.471 1.461 -0.311 1.00 74.33 O ATOM 782 CB VAL A 52 3.977 3.968 -0.248 1.00 14.51 C ATOM 783 CG1 VAL A 52 3.114 3.621 0.985 1.00 54.42 C ATOM 784 CG2 VAL A 52 3.634 5.373 -0.783 1.00 33.04 C ATOM 0 H VAL A 52 5.822 4.258 -1.962 1.00 72.42 H new ATOM 0 HA VAL A 52 5.724 4.491 0.916 1.00 61.52 H new ATOM 0 HB VAL A 52 3.743 3.240 -1.025 1.00 14.51 H new ATOM 0 HG11 VAL A 52 2.059 3.718 0.729 1.00 54.42 H new ATOM 0 HG12 VAL A 52 3.320 2.597 1.296 1.00 54.42 H new ATOM 0 HG13 VAL A 52 3.354 4.303 1.801 1.00 54.42 H new ATOM 0 HG21 VAL A 52 2.566 5.432 -0.991 1.00 33.04 H new ATOM 0 HG22 VAL A 52 3.900 6.122 -0.037 1.00 33.04 H new ATOM 0 HG23 VAL A 52 4.193 5.560 -1.700 1.00 33.04 H new ATOM 794 N GLN A 53 6.665 2.210 1.451 1.00 11.22 N ATOM 795 CA GLN A 53 7.204 0.901 1.828 1.00 73.44 C ATOM 796 C GLN A 53 6.190 0.161 2.711 1.00 12.42 C ATOM 797 O GLN A 53 5.903 0.578 3.846 1.00 23.43 O ATOM 798 CB GLN A 53 8.575 1.087 2.516 1.00 31.42 C ATOM 799 CG GLN A 53 9.649 1.672 1.569 1.00 74.31 C ATOM 800 CD GLN A 53 11.023 1.866 2.209 1.00 64.53 C ATOM 801 OE1 GLN A 53 11.413 1.144 3.131 1.00 55.45 O ATOM 802 NE2 GLN A 53 11.773 2.841 1.718 1.00 2.25 N ATOM 0 H GLN A 53 6.953 2.967 2.071 1.00 11.22 H new ATOM 0 HA GLN A 53 7.368 0.285 0.944 1.00 73.44 H new ATOM 0 HB2 GLN A 53 8.458 1.747 3.376 1.00 31.42 H new ATOM 0 HB3 GLN A 53 8.918 0.125 2.897 1.00 31.42 H new ATOM 0 HG2 GLN A 53 9.754 1.012 0.708 1.00 74.31 H new ATOM 0 HG3 GLN A 53 9.299 2.633 1.193 1.00 74.31 H new ATOM 0 HE21 GLN A 53 11.422 3.420 0.956 1.00 2.25 H new ATOM 0 HE22 GLN A 53 12.702 3.013 2.102 1.00 2.25 H new ATOM 811 N LEU A 54 5.612 -0.911 2.141 1.00 53.21 N ATOM 812 CA LEU A 54 4.561 -1.711 2.765 1.00 73.44 C ATOM 813 C LEU A 54 5.028 -3.154 2.943 1.00 50.23 C ATOM 814 O LEU A 54 5.599 -3.754 2.031 1.00 51.31 O ATOM 815 CB LEU A 54 3.273 -1.701 1.898 1.00 1.24 C ATOM 816 CG LEU A 54 2.639 -0.308 1.624 1.00 13.22 C ATOM 817 CD1 LEU A 54 1.352 -0.427 0.798 1.00 32.13 C ATOM 818 CD2 LEU A 54 2.385 0.450 2.928 1.00 1.54 C ATOM 0 H LEU A 54 5.873 -1.247 1.214 1.00 53.21 H new ATOM 0 HA LEU A 54 4.342 -1.273 3.739 1.00 73.44 H new ATOM 0 HB2 LEU A 54 3.502 -2.167 0.940 1.00 1.24 H new ATOM 0 HB3 LEU A 54 2.526 -2.327 2.387 1.00 1.24 H new ATOM 0 HG LEU A 54 3.356 0.265 1.036 1.00 13.22 H new ATOM 0 HD11 LEU A 54 0.937 0.566 0.626 1.00 32.13 H new ATOM 0 HD12 LEU A 54 1.576 -0.897 -0.159 1.00 32.13 H new ATOM 0 HD13 LEU A 54 0.627 -1.034 1.340 1.00 32.13 H new ATOM 0 HD21 LEU A 54 1.941 1.420 2.704 1.00 1.54 H new ATOM 0 HD22 LEU A 54 1.704 -0.124 3.556 1.00 1.54 H new ATOM 0 HD23 LEU A 54 3.328 0.595 3.454 1.00 1.54 H new ATOM 830 N LYS A 55 4.778 -3.691 4.124 1.00 30.32 N ATOM 831 CA LYS A 55 4.992 -5.093 4.440 1.00 24.31 C ATOM 832 C LYS A 55 3.724 -5.886 4.084 1.00 50.10 C ATOM 833 O LYS A 55 2.634 -5.563 4.570 1.00 51.30 O ATOM 834 CB LYS A 55 5.310 -5.229 5.941 1.00 75.32 C ATOM 835 CG LYS A 55 5.402 -6.675 6.457 1.00 13.25 C ATOM 836 CD LYS A 55 5.714 -6.722 7.959 1.00 12.15 C ATOM 837 CE LYS A 55 5.868 -8.139 8.489 1.00 65.55 C ATOM 838 NZ LYS A 55 6.301 -8.134 9.908 1.00 41.32 N ATOM 0 H LYS A 55 4.412 -3.152 4.909 1.00 30.32 H new ATOM 0 HA LYS A 55 5.830 -5.488 3.865 1.00 24.31 H new ATOM 0 HB2 LYS A 55 6.255 -4.726 6.144 1.00 75.32 H new ATOM 0 HB3 LYS A 55 4.542 -4.705 6.509 1.00 75.32 H new ATOM 0 HG2 LYS A 55 4.461 -7.191 6.264 1.00 13.25 H new ATOM 0 HG3 LYS A 55 6.177 -7.209 5.907 1.00 13.25 H new ATOM 0 HD2 LYS A 55 6.632 -6.166 8.152 1.00 12.15 H new ATOM 0 HD3 LYS A 55 4.916 -6.220 8.506 1.00 12.15 H new ATOM 0 HE2 LYS A 55 4.921 -8.670 8.396 1.00 65.55 H new ATOM 0 HE3 LYS A 55 6.597 -8.679 7.885 1.00 65.55 H new ATOM 0 HZ1 LYS A 55 6.398 -9.113 10.245 1.00 41.32 H new ATOM 0 HZ2 LYS A 55 7.216 -7.647 9.990 1.00 41.32 H new ATOM 0 HZ3 LYS A 55 5.592 -7.638 10.485 1.00 41.32 H new ATOM 852 N LEU A 56 3.862 -6.912 3.233 1.00 63.13 N ATOM 853 CA LEU A 56 2.733 -7.778 2.860 1.00 74.42 C ATOM 854 C LEU A 56 2.741 -9.026 3.758 1.00 43.24 C ATOM 855 O LEU A 56 3.812 -9.574 4.054 1.00 41.14 O ATOM 856 CB LEU A 56 2.801 -8.175 1.359 1.00 4.43 C ATOM 857 CG LEU A 56 2.947 -6.999 0.337 1.00 32.04 C ATOM 858 CD1 LEU A 56 2.868 -7.507 -1.112 1.00 61.34 C ATOM 859 CD2 LEU A 56 1.922 -5.882 0.588 1.00 32.52 C ATOM 0 H LEU A 56 4.745 -7.163 2.789 1.00 63.13 H new ATOM 0 HA LEU A 56 1.801 -7.232 3.006 1.00 74.42 H new ATOM 0 HB2 LEU A 56 3.643 -8.854 1.222 1.00 4.43 H new ATOM 0 HB3 LEU A 56 1.898 -8.733 1.111 1.00 4.43 H new ATOM 0 HG LEU A 56 3.936 -6.567 0.490 1.00 32.04 H new ATOM 0 HD11 LEU A 56 2.973 -6.667 -1.798 1.00 61.34 H new ATOM 0 HD12 LEU A 56 3.670 -8.223 -1.291 1.00 61.34 H new ATOM 0 HD13 LEU A 56 1.905 -7.991 -1.276 1.00 61.34 H new ATOM 0 HD21 LEU A 56 2.062 -5.088 -0.146 1.00 32.52 H new ATOM 0 HD22 LEU A 56 0.914 -6.286 0.497 1.00 32.52 H new ATOM 0 HD23 LEU A 56 2.062 -5.478 1.591 1.00 32.52 H new ATOM 871 N GLN A 57 1.551 -9.457 4.201 1.00 53.10 N ATOM 872 CA GLN A 57 1.390 -10.631 5.094 1.00 73.34 C ATOM 873 C GLN A 57 1.075 -11.903 4.289 1.00 5.01 C ATOM 874 O GLN A 57 0.838 -11.835 3.074 1.00 22.43 O ATOM 875 CB GLN A 57 0.270 -10.367 6.141 1.00 62.11 C ATOM 876 CG GLN A 57 0.652 -9.395 7.269 1.00 73.43 C ATOM 877 CD GLN A 57 1.753 -9.920 8.200 1.00 24.32 C ATOM 878 OE1 GLN A 57 1.884 -11.122 8.418 1.00 22.05 O ATOM 879 NE2 GLN A 57 2.538 -9.026 8.769 1.00 13.21 N ATOM 0 H GLN A 57 0.669 -9.007 3.955 1.00 53.10 H new ATOM 0 HA GLN A 57 2.334 -10.786 5.617 1.00 73.34 H new ATOM 0 HB2 GLN A 57 -0.605 -9.974 5.624 1.00 62.11 H new ATOM 0 HB3 GLN A 57 -0.023 -11.318 6.585 1.00 62.11 H new ATOM 0 HG2 GLN A 57 0.982 -8.454 6.828 1.00 73.43 H new ATOM 0 HG3 GLN A 57 -0.236 -9.175 7.861 1.00 73.43 H new ATOM 0 HE21 GLN A 57 2.408 -8.034 8.571 1.00 13.21 H new ATOM 0 HE22 GLN A 57 3.275 -9.327 9.407 1.00 13.21 H new ATOM 888 N GLY A 58 1.068 -13.059 5.004 1.00 22.12 N ATOM 889 CA GLY A 58 0.845 -14.386 4.411 1.00 1.00 C ATOM 890 C GLY A 58 -0.464 -14.499 3.635 1.00 31.21 C ATOM 891 O GLY A 58 -1.394 -13.733 3.898 1.00 63.52 O ATOM 0 H GLY A 58 1.219 -13.086 6.012 1.00 22.12 H new ATOM 0 HA2 GLY A 58 1.674 -14.620 3.743 1.00 1.00 H new ATOM 0 HA3 GLY A 58 0.853 -15.134 5.203 1.00 1.00 H new ATOM 895 N SER A 59 -0.507 -15.432 2.651 1.00 71.51 N ATOM 896 CA SER A 59 -1.642 -15.657 1.710 1.00 71.43 C ATOM 897 C SER A 59 -1.692 -14.595 0.583 1.00 14.10 C ATOM 898 O SER A 59 -2.139 -14.893 -0.526 1.00 43.24 O ATOM 899 CB SER A 59 -3.017 -15.770 2.430 1.00 54.04 C ATOM 900 OG SER A 59 -3.004 -16.808 3.400 1.00 73.21 O ATOM 0 H SER A 59 0.270 -16.071 2.482 1.00 71.51 H new ATOM 0 HA SER A 59 -1.446 -16.624 1.246 1.00 71.43 H new ATOM 0 HB2 SER A 59 -3.258 -14.822 2.911 1.00 54.04 H new ATOM 0 HB3 SER A 59 -3.800 -15.963 1.697 1.00 54.04 H new ATOM 0 HG SER A 59 -3.879 -16.857 3.839 1.00 73.21 H new ATOM 906 N CYS A 60 -1.241 -13.362 0.883 1.00 72.22 N ATOM 907 CA CYS A 60 -1.119 -12.278 -0.101 1.00 13.55 C ATOM 908 C CYS A 60 0.283 -12.286 -0.736 1.00 33.43 C ATOM 909 O CYS A 60 0.437 -12.033 -1.938 1.00 44.04 O ATOM 910 CB CYS A 60 -1.385 -10.934 0.598 1.00 71.05 C ATOM 911 SG CYS A 60 -2.961 -10.893 1.468 1.00 12.44 S ATOM 0 H CYS A 60 -0.950 -13.092 1.823 1.00 72.22 H new ATOM 0 HA CYS A 60 -1.850 -12.424 -0.896 1.00 13.55 H new ATOM 0 HB2 CYS A 60 -0.580 -10.733 1.305 1.00 71.05 H new ATOM 0 HB3 CYS A 60 -1.365 -10.135 -0.143 1.00 71.05 H new ATOM 0 HG CYS A 60 -3.898 -11.345 0.689 1.00 12.44 H new ATOM 917 N THR A 61 1.300 -12.587 0.099 1.00 45.20 N ATOM 918 CA THR A 61 2.717 -12.588 -0.318 1.00 74.44 C ATOM 919 C THR A 61 3.193 -13.993 -0.758 1.00 35.30 C ATOM 920 O THR A 61 4.359 -14.156 -1.142 1.00 41.40 O ATOM 921 CB THR A 61 3.634 -12.031 0.829 1.00 52.24 C ATOM 922 OG1 THR A 61 4.959 -11.806 0.339 1.00 1.43 O ATOM 923 CG2 THR A 61 3.709 -12.967 2.048 1.00 75.35 C ATOM 0 H THR A 61 1.162 -12.835 1.079 1.00 45.20 H new ATOM 0 HA THR A 61 2.798 -11.931 -1.184 1.00 74.44 H new ATOM 0 HB THR A 61 3.180 -11.095 1.155 1.00 52.24 H new ATOM 0 HG1 THR A 61 5.247 -12.578 -0.192 1.00 1.43 H new ATOM 0 HG21 THR A 61 4.357 -12.527 2.806 1.00 75.35 H new ATOM 0 HG22 THR A 61 2.710 -13.106 2.462 1.00 75.35 H new ATOM 0 HG23 THR A 61 4.113 -13.932 1.741 1.00 75.35 H new ATOM 931 N SER A 62 2.291 -14.998 -0.708 1.00 2.53 N ATOM 932 CA SER A 62 2.618 -16.389 -1.091 1.00 21.23 C ATOM 933 C SER A 62 2.983 -16.481 -2.589 1.00 22.30 C ATOM 934 O SER A 62 3.961 -17.140 -2.958 1.00 60.34 O ATOM 935 CB SER A 62 1.437 -17.325 -0.766 1.00 40.42 C ATOM 936 OG SER A 62 1.089 -17.257 0.607 1.00 70.14 O ATOM 0 H SER A 62 1.326 -14.870 -0.404 1.00 2.53 H new ATOM 0 HA SER A 62 3.486 -16.705 -0.513 1.00 21.23 H new ATOM 0 HB2 SER A 62 0.576 -17.052 -1.376 1.00 40.42 H new ATOM 0 HB3 SER A 62 1.700 -18.350 -1.026 1.00 40.42 H new ATOM 0 HG SER A 62 0.336 -17.859 0.784 1.00 70.14 H new ATOM 942 N CYS A 63 2.188 -15.800 -3.429 1.00 32.21 N ATOM 943 CA CYS A 63 2.379 -15.774 -4.885 1.00 43.42 C ATOM 944 C CYS A 63 3.052 -14.444 -5.302 1.00 24.55 C ATOM 945 O CYS A 63 2.483 -13.377 -5.034 1.00 33.41 O ATOM 946 CB CYS A 63 1.009 -15.928 -5.581 1.00 2.44 C ATOM 947 SG CYS A 63 0.044 -17.332 -4.967 1.00 24.12 S ATOM 0 H CYS A 63 1.390 -15.249 -3.114 1.00 32.21 H new ATOM 0 HA CYS A 63 3.026 -16.598 -5.186 1.00 43.42 H new ATOM 0 HB2 CYS A 63 0.434 -15.013 -5.441 1.00 2.44 H new ATOM 0 HB3 CYS A 63 1.166 -16.046 -6.653 1.00 2.44 H new ATOM 0 HG CYS A 63 -1.090 -17.389 -5.600 1.00 24.12 H new ATOM 953 N PRO A 64 4.281 -14.472 -5.919 1.00 63.14 N ATOM 954 CA PRO A 64 4.914 -13.263 -6.529 1.00 43.14 C ATOM 955 C PRO A 64 3.980 -12.514 -7.501 1.00 62.14 C ATOM 956 O PRO A 64 4.034 -11.287 -7.595 1.00 5.14 O ATOM 957 CB PRO A 64 6.138 -13.842 -7.267 1.00 30.04 C ATOM 958 CG PRO A 64 6.492 -15.070 -6.480 1.00 50.41 C ATOM 959 CD PRO A 64 5.172 -15.658 -6.016 1.00 54.11 C ATOM 0 HA PRO A 64 5.166 -12.514 -5.778 1.00 43.14 H new ATOM 0 HB2 PRO A 64 5.900 -14.087 -8.302 1.00 30.04 H new ATOM 0 HB3 PRO A 64 6.964 -13.131 -7.289 1.00 30.04 H new ATOM 0 HG2 PRO A 64 7.043 -15.782 -7.094 1.00 50.41 H new ATOM 0 HG3 PRO A 64 7.129 -14.821 -5.631 1.00 50.41 H new ATOM 0 HD2 PRO A 64 4.788 -16.392 -6.724 1.00 54.11 H new ATOM 0 HD3 PRO A 64 5.273 -16.164 -5.056 1.00 54.11 H new ATOM 967 N SER A 65 3.118 -13.279 -8.200 1.00 72.15 N ATOM 968 CA SER A 65 2.092 -12.739 -9.109 1.00 11.43 C ATOM 969 C SER A 65 1.167 -11.749 -8.366 1.00 32.33 C ATOM 970 O SER A 65 0.902 -10.635 -8.852 1.00 33.13 O ATOM 971 CB SER A 65 1.253 -13.903 -9.687 1.00 62.52 C ATOM 972 OG SER A 65 2.080 -14.930 -10.211 1.00 54.23 O ATOM 0 H SER A 65 3.116 -14.298 -8.148 1.00 72.15 H new ATOM 0 HA SER A 65 2.589 -12.204 -9.918 1.00 11.43 H new ATOM 0 HB2 SER A 65 0.612 -14.313 -8.907 1.00 62.52 H new ATOM 0 HB3 SER A 65 0.598 -13.526 -10.472 1.00 62.52 H new ATOM 0 HG SER A 65 1.520 -15.651 -10.567 1.00 54.23 H new ATOM 978 N SER A 66 0.711 -12.183 -7.172 1.00 51.43 N ATOM 979 CA SER A 66 -0.186 -11.413 -6.305 1.00 21.05 C ATOM 980 C SER A 66 0.526 -10.178 -5.739 1.00 62.03 C ATOM 981 O SER A 66 -0.101 -9.132 -5.598 1.00 20.14 O ATOM 982 CB SER A 66 -0.697 -12.308 -5.161 1.00 52.32 C ATOM 983 OG SER A 66 -1.606 -11.617 -4.315 1.00 40.24 O ATOM 0 H SER A 66 0.963 -13.092 -6.784 1.00 51.43 H new ATOM 0 HA SER A 66 -1.034 -11.070 -6.898 1.00 21.05 H new ATOM 0 HB2 SER A 66 -1.187 -13.188 -5.579 1.00 52.32 H new ATOM 0 HB3 SER A 66 0.149 -12.663 -4.572 1.00 52.32 H new ATOM 0 HG SER A 66 -1.222 -11.539 -3.417 1.00 40.24 H new ATOM 989 N ILE A 67 1.832 -10.323 -5.424 1.00 65.32 N ATOM 990 CA ILE A 67 2.667 -9.231 -4.890 1.00 33.22 C ATOM 991 C ILE A 67 2.745 -8.067 -5.897 1.00 10.44 C ATOM 992 O ILE A 67 2.553 -6.909 -5.526 1.00 50.21 O ATOM 993 CB ILE A 67 4.120 -9.748 -4.543 1.00 41.54 C ATOM 994 CG1 ILE A 67 4.068 -10.843 -3.430 1.00 32.21 C ATOM 995 CG2 ILE A 67 5.055 -8.586 -4.137 1.00 13.31 C ATOM 996 CD1 ILE A 67 5.415 -11.478 -3.087 1.00 41.05 C ATOM 0 H ILE A 67 2.335 -11.203 -5.534 1.00 65.32 H new ATOM 0 HA ILE A 67 2.202 -8.871 -3.972 1.00 33.22 H new ATOM 0 HB ILE A 67 4.535 -10.199 -5.445 1.00 41.54 H new ATOM 0 HG12 ILE A 67 3.651 -10.401 -2.525 1.00 32.21 H new ATOM 0 HG13 ILE A 67 3.382 -11.629 -3.746 1.00 32.21 H new ATOM 0 HG21 ILE A 67 6.045 -8.979 -3.906 1.00 13.31 H new ATOM 0 HG22 ILE A 67 5.130 -7.875 -4.960 1.00 13.31 H new ATOM 0 HG23 ILE A 67 4.650 -8.083 -3.259 1.00 13.31 H new ATOM 0 HD11 ILE A 67 5.277 -12.225 -2.305 1.00 41.05 H new ATOM 0 HD12 ILE A 67 5.829 -11.955 -3.975 1.00 41.05 H new ATOM 0 HD13 ILE A 67 6.101 -10.708 -2.735 1.00 41.05 H new ATOM 1008 N ILE A 68 3.007 -8.412 -7.174 1.00 25.44 N ATOM 1009 CA ILE A 68 3.126 -7.442 -8.277 1.00 32.12 C ATOM 1010 C ILE A 68 1.801 -6.666 -8.461 1.00 13.51 C ATOM 1011 O ILE A 68 1.803 -5.436 -8.460 1.00 43.41 O ATOM 1012 CB ILE A 68 3.541 -8.172 -9.615 1.00 72.14 C ATOM 1013 CG1 ILE A 68 4.930 -8.876 -9.455 1.00 12.33 C ATOM 1014 CG2 ILE A 68 3.561 -7.201 -10.818 1.00 23.43 C ATOM 1015 CD1 ILE A 68 5.326 -9.779 -10.617 1.00 52.45 C ATOM 0 H ILE A 68 3.143 -9.379 -7.469 1.00 25.44 H new ATOM 0 HA ILE A 68 3.908 -6.725 -8.025 1.00 32.12 H new ATOM 0 HB ILE A 68 2.785 -8.931 -9.818 1.00 72.14 H new ATOM 0 HG12 ILE A 68 5.697 -8.112 -9.330 1.00 12.33 H new ATOM 0 HG13 ILE A 68 4.918 -9.469 -8.540 1.00 12.33 H new ATOM 0 HG21 ILE A 68 3.851 -7.743 -11.718 1.00 23.43 H new ATOM 0 HG22 ILE A 68 2.568 -6.773 -10.956 1.00 23.43 H new ATOM 0 HG23 ILE A 68 4.278 -6.402 -10.629 1.00 23.43 H new ATOM 0 HD11 ILE A 68 6.301 -10.222 -10.417 1.00 52.45 H new ATOM 0 HD12 ILE A 68 4.585 -10.570 -10.732 1.00 52.45 H new ATOM 0 HD13 ILE A 68 5.376 -9.192 -11.534 1.00 52.45 H new ATOM 1027 N THR A 69 0.680 -7.414 -8.559 1.00 44.22 N ATOM 1028 CA THR A 69 -0.665 -6.845 -8.791 1.00 1.42 C ATOM 1029 C THR A 69 -1.121 -5.968 -7.608 1.00 34.45 C ATOM 1030 O THR A 69 -1.712 -4.904 -7.813 1.00 0.10 O ATOM 1031 CB THR A 69 -1.706 -7.987 -9.034 1.00 52.44 C ATOM 1032 OG1 THR A 69 -1.239 -8.835 -10.091 1.00 24.44 O ATOM 1033 CG2 THR A 69 -3.107 -7.448 -9.399 1.00 52.33 C ATOM 0 H THR A 69 0.683 -8.431 -8.479 1.00 44.22 H new ATOM 0 HA THR A 69 -0.605 -6.215 -9.678 1.00 1.42 H new ATOM 0 HB THR A 69 -1.802 -8.543 -8.101 1.00 52.44 H new ATOM 0 HG1 THR A 69 -0.568 -9.457 -9.739 1.00 24.44 H new ATOM 0 HG21 THR A 69 -3.789 -8.284 -9.557 1.00 52.33 H new ATOM 0 HG22 THR A 69 -3.480 -6.824 -8.587 1.00 52.33 H new ATOM 0 HG23 THR A 69 -3.042 -6.855 -10.312 1.00 52.33 H new ATOM 1041 N LEU A 70 -0.832 -6.433 -6.375 1.00 52.41 N ATOM 1042 CA LEU A 70 -1.210 -5.729 -5.140 1.00 43.34 C ATOM 1043 C LEU A 70 -0.443 -4.397 -5.038 1.00 33.21 C ATOM 1044 O LEU A 70 -1.056 -3.347 -4.895 1.00 34.12 O ATOM 1045 CB LEU A 70 -0.951 -6.627 -3.892 1.00 20.10 C ATOM 1046 CG LEU A 70 -1.412 -6.049 -2.513 1.00 53.35 C ATOM 1047 CD1 LEU A 70 -2.904 -5.683 -2.533 1.00 70.51 C ATOM 1048 CD2 LEU A 70 -1.093 -7.025 -1.358 1.00 61.44 C ATOM 0 H LEU A 70 -0.331 -7.306 -6.212 1.00 52.41 H new ATOM 0 HA LEU A 70 -2.277 -5.509 -5.171 1.00 43.34 H new ATOM 0 HB2 LEU A 70 -1.453 -7.582 -4.048 1.00 20.10 H new ATOM 0 HB3 LEU A 70 0.118 -6.834 -3.836 1.00 20.10 H new ATOM 0 HG LEU A 70 -0.848 -5.133 -2.337 1.00 53.35 H new ATOM 0 HD11 LEU A 70 -3.194 -5.284 -1.561 1.00 70.51 H new ATOM 0 HD12 LEU A 70 -3.084 -4.931 -3.302 1.00 70.51 H new ATOM 0 HD13 LEU A 70 -3.494 -6.573 -2.751 1.00 70.51 H new ATOM 0 HD21 LEU A 70 -1.426 -6.593 -0.414 1.00 61.44 H new ATOM 0 HD22 LEU A 70 -1.609 -7.970 -1.527 1.00 61.44 H new ATOM 0 HD23 LEU A 70 -0.018 -7.201 -1.317 1.00 61.44 H new ATOM 1060 N LYS A 71 0.893 -4.473 -5.174 1.00 73.32 N ATOM 1061 CA LYS A 71 1.807 -3.312 -5.120 1.00 55.12 C ATOM 1062 C LYS A 71 1.447 -2.260 -6.190 1.00 20.14 C ATOM 1063 O LYS A 71 1.451 -1.058 -5.910 1.00 21.40 O ATOM 1064 CB LYS A 71 3.272 -3.835 -5.263 1.00 13.04 C ATOM 1065 CG LYS A 71 4.405 -2.772 -5.357 1.00 22.12 C ATOM 1066 CD LYS A 71 4.748 -2.331 -6.809 1.00 51.33 C ATOM 1067 CE LYS A 71 5.203 -3.502 -7.697 1.00 32.52 C ATOM 1068 NZ LYS A 71 5.581 -3.054 -9.063 1.00 10.23 N ATOM 0 H LYS A 71 1.379 -5.357 -5.327 1.00 73.32 H new ATOM 0 HA LYS A 71 1.706 -2.801 -4.162 1.00 55.12 H new ATOM 0 HB2 LYS A 71 3.485 -4.480 -4.410 1.00 13.04 H new ATOM 0 HB3 LYS A 71 3.321 -4.460 -6.155 1.00 13.04 H new ATOM 0 HG2 LYS A 71 4.112 -1.893 -4.782 1.00 22.12 H new ATOM 0 HG3 LYS A 71 5.304 -3.173 -4.889 1.00 22.12 H new ATOM 0 HD2 LYS A 71 3.873 -1.860 -7.257 1.00 51.33 H new ATOM 0 HD3 LYS A 71 5.535 -1.577 -6.778 1.00 51.33 H new ATOM 0 HE2 LYS A 71 6.053 -4.001 -7.231 1.00 32.52 H new ATOM 0 HE3 LYS A 71 4.401 -4.237 -7.766 1.00 32.52 H new ATOM 0 HZ1 LYS A 71 5.992 -3.852 -9.589 1.00 10.23 H new ATOM 0 HZ2 LYS A 71 4.736 -2.709 -9.562 1.00 10.23 H new ATOM 0 HZ3 LYS A 71 6.280 -2.287 -8.996 1.00 10.23 H new ATOM 1082 N ASN A 72 1.139 -2.733 -7.414 1.00 61.24 N ATOM 1083 CA ASN A 72 0.755 -1.861 -8.549 1.00 1.12 C ATOM 1084 C ASN A 72 -0.605 -1.203 -8.304 1.00 62.15 C ATOM 1085 O ASN A 72 -0.776 -0.020 -8.579 1.00 22.22 O ATOM 1086 CB ASN A 72 0.748 -2.647 -9.894 1.00 54.14 C ATOM 1087 CG ASN A 72 2.148 -2.959 -10.422 1.00 4.44 C ATOM 1088 OD1 ASN A 72 3.086 -2.197 -10.219 1.00 53.21 O ATOM 1089 ND2 ASN A 72 2.292 -4.082 -11.096 1.00 64.02 N ATOM 0 H ASN A 72 1.148 -3.726 -7.646 1.00 61.24 H new ATOM 0 HA ASN A 72 1.507 -1.075 -8.623 1.00 1.12 H new ATOM 0 HB2 ASN A 72 0.203 -3.581 -9.758 1.00 54.14 H new ATOM 0 HB3 ASN A 72 0.206 -2.068 -10.642 1.00 54.14 H new ATOM 0 HD21 ASN A 72 3.206 -4.340 -11.467 1.00 64.02 H new ATOM 0 HD22 ASN A 72 1.489 -4.693 -11.246 1.00 64.02 H new ATOM 1096 N GLY A 73 -1.559 -1.981 -7.774 1.00 41.15 N ATOM 1097 CA GLY A 73 -2.899 -1.488 -7.464 1.00 30.24 C ATOM 1098 C GLY A 73 -2.873 -0.367 -6.426 1.00 62.44 C ATOM 1099 O GLY A 73 -3.549 0.665 -6.579 1.00 42.54 O ATOM 0 H GLY A 73 -1.420 -2.966 -7.550 1.00 41.15 H new ATOM 0 HA2 GLY A 73 -3.372 -1.125 -8.377 1.00 30.24 H new ATOM 0 HA3 GLY A 73 -3.511 -2.311 -7.093 1.00 30.24 H new ATOM 1103 N ILE A 74 -2.050 -0.574 -5.383 1.00 44.13 N ATOM 1104 CA ILE A 74 -1.834 0.400 -4.309 1.00 54.13 C ATOM 1105 C ILE A 74 -1.079 1.633 -4.852 1.00 61.03 C ATOM 1106 O ILE A 74 -1.354 2.751 -4.426 1.00 44.33 O ATOM 1107 CB ILE A 74 -1.043 -0.252 -3.107 1.00 31.33 C ATOM 1108 CG1 ILE A 74 -1.830 -1.466 -2.518 1.00 41.41 C ATOM 1109 CG2 ILE A 74 -0.741 0.781 -2.001 1.00 52.10 C ATOM 1110 CD1 ILE A 74 -1.060 -2.279 -1.481 1.00 64.53 C ATOM 0 H ILE A 74 -1.512 -1.433 -5.265 1.00 44.13 H new ATOM 0 HA ILE A 74 -2.806 0.722 -3.936 1.00 54.13 H new ATOM 0 HB ILE A 74 -0.091 -0.611 -3.499 1.00 31.33 H new ATOM 0 HG12 ILE A 74 -2.750 -1.099 -2.063 1.00 41.41 H new ATOM 0 HG13 ILE A 74 -2.120 -2.126 -3.336 1.00 41.41 H new ATOM 0 HG21 ILE A 74 -0.196 0.297 -1.190 1.00 52.10 H new ATOM 0 HG22 ILE A 74 -0.137 1.589 -2.413 1.00 52.10 H new ATOM 0 HG23 ILE A 74 -1.677 1.187 -1.617 1.00 52.10 H new ATOM 0 HD11 ILE A 74 -1.683 -3.101 -1.127 1.00 64.53 H new ATOM 0 HD12 ILE A 74 -0.153 -2.680 -1.933 1.00 64.53 H new ATOM 0 HD13 ILE A 74 -0.793 -1.638 -0.641 1.00 64.53 H new ATOM 1122 N GLN A 75 -0.138 1.408 -5.802 1.00 53.34 N ATOM 1123 CA GLN A 75 0.633 2.492 -6.441 1.00 62.54 C ATOM 1124 C GLN A 75 -0.308 3.440 -7.197 1.00 44.21 C ATOM 1125 O GLN A 75 -0.358 4.617 -6.883 1.00 34.51 O ATOM 1126 CB GLN A 75 1.728 1.941 -7.398 1.00 22.51 C ATOM 1127 CG GLN A 75 2.539 3.045 -8.116 1.00 33.32 C ATOM 1128 CD GLN A 75 3.531 2.544 -9.159 1.00 13.01 C ATOM 1129 OE1 GLN A 75 3.344 1.487 -9.762 1.00 31.40 O ATOM 1130 NE2 GLN A 75 4.579 3.318 -9.405 1.00 32.14 N ATOM 0 H GLN A 75 0.103 0.477 -6.141 1.00 53.34 H new ATOM 0 HA GLN A 75 1.139 3.045 -5.649 1.00 62.54 H new ATOM 0 HB2 GLN A 75 2.412 1.312 -6.829 1.00 22.51 H new ATOM 0 HB3 GLN A 75 1.257 1.304 -8.146 1.00 22.51 H new ATOM 0 HG2 GLN A 75 1.842 3.730 -8.599 1.00 33.32 H new ATOM 0 HG3 GLN A 75 3.083 3.620 -7.367 1.00 33.32 H new ATOM 0 HE21 GLN A 75 4.704 4.188 -8.887 1.00 32.14 H new ATOM 0 HE22 GLN A 75 5.261 3.044 -10.112 1.00 32.14 H new ATOM 1139 N ASN A 76 -1.073 2.895 -8.167 1.00 53.52 N ATOM 1140 CA ASN A 76 -2.021 3.673 -8.999 1.00 43.42 C ATOM 1141 C ASN A 76 -3.098 4.369 -8.141 1.00 21.43 C ATOM 1142 O ASN A 76 -3.584 5.448 -8.505 1.00 62.51 O ATOM 1143 CB ASN A 76 -2.682 2.776 -10.087 1.00 1.21 C ATOM 1144 CG ASN A 76 -1.721 2.384 -11.223 1.00 71.45 C ATOM 1145 OD1 ASN A 76 -1.544 3.129 -12.180 1.00 34.41 O ATOM 1146 ND2 ASN A 76 -1.101 1.222 -11.132 1.00 43.23 N ATOM 0 H ASN A 76 -1.052 1.901 -8.397 1.00 53.52 H new ATOM 0 HA ASN A 76 -1.444 4.450 -9.500 1.00 43.42 H new ATOM 0 HB2 ASN A 76 -3.065 1.870 -9.617 1.00 1.21 H new ATOM 0 HB3 ASN A 76 -3.538 3.302 -10.510 1.00 1.21 H new ATOM 0 HD21 ASN A 76 -0.459 0.928 -11.868 1.00 43.23 H new ATOM 0 HD22 ASN A 76 -1.264 0.619 -10.326 1.00 43.23 H new ATOM 1153 N MET A 77 -3.461 3.739 -7.009 1.00 12.42 N ATOM 1154 CA MET A 77 -4.400 4.315 -6.032 1.00 73.32 C ATOM 1155 C MET A 77 -3.787 5.558 -5.355 1.00 34.14 C ATOM 1156 O MET A 77 -4.375 6.641 -5.388 1.00 61.25 O ATOM 1157 CB MET A 77 -4.792 3.244 -4.980 1.00 41.13 C ATOM 1158 CG MET A 77 -5.833 3.704 -3.943 1.00 60.44 C ATOM 1159 SD MET A 77 -5.155 4.654 -2.564 1.00 42.43 S ATOM 1160 CE MET A 77 -4.303 3.374 -1.648 1.00 70.52 C ATOM 0 H MET A 77 -3.111 2.817 -6.747 1.00 12.42 H new ATOM 0 HA MET A 77 -5.302 4.633 -6.555 1.00 73.32 H new ATOM 0 HB2 MET A 77 -5.182 2.370 -5.501 1.00 41.13 H new ATOM 0 HB3 MET A 77 -3.892 2.926 -4.453 1.00 41.13 H new ATOM 0 HG2 MET A 77 -6.586 4.309 -4.448 1.00 60.44 H new ATOM 0 HG3 MET A 77 -6.343 2.826 -3.546 1.00 60.44 H new ATOM 0 HE1 MET A 77 -3.717 3.827 -0.848 1.00 70.52 H new ATOM 0 HE2 MET A 77 -5.032 2.687 -1.219 1.00 70.52 H new ATOM 0 HE3 MET A 77 -3.640 2.827 -2.318 1.00 70.52 H new ATOM 1170 N LEU A 78 -2.590 5.391 -4.769 1.00 44.21 N ATOM 1171 CA LEU A 78 -1.891 6.456 -4.025 1.00 31.20 C ATOM 1172 C LEU A 78 -1.417 7.587 -4.956 1.00 2.23 C ATOM 1173 O LEU A 78 -1.299 8.715 -4.519 1.00 24.44 O ATOM 1174 CB LEU A 78 -0.700 5.863 -3.218 1.00 50.32 C ATOM 1175 CG LEU A 78 -1.084 5.022 -1.963 1.00 11.44 C ATOM 1176 CD1 LEU A 78 0.131 4.303 -1.367 1.00 32.33 C ATOM 1177 CD2 LEU A 78 -1.771 5.898 -0.897 1.00 64.04 C ATOM 0 H LEU A 78 -2.076 4.510 -4.797 1.00 44.21 H new ATOM 0 HA LEU A 78 -2.602 6.893 -3.324 1.00 31.20 H new ATOM 0 HB2 LEU A 78 -0.109 5.236 -3.886 1.00 50.32 H new ATOM 0 HB3 LEU A 78 -0.057 6.683 -2.900 1.00 50.32 H new ATOM 0 HG LEU A 78 -1.792 4.261 -2.291 1.00 11.44 H new ATOM 0 HD11 LEU A 78 -0.178 3.728 -0.494 1.00 32.33 H new ATOM 0 HD12 LEU A 78 0.558 3.631 -2.112 1.00 32.33 H new ATOM 0 HD13 LEU A 78 0.879 5.038 -1.070 1.00 32.33 H new ATOM 0 HD21 LEU A 78 -2.028 5.285 -0.033 1.00 64.04 H new ATOM 0 HD22 LEU A 78 -1.094 6.694 -0.589 1.00 64.04 H new ATOM 0 HD23 LEU A 78 -2.678 6.335 -1.315 1.00 64.04 H new ATOM 1189 N GLN A 79 -1.156 7.264 -6.236 1.00 2.23 N ATOM 1190 CA GLN A 79 -0.743 8.246 -7.264 1.00 75.44 C ATOM 1191 C GLN A 79 -1.950 9.021 -7.810 1.00 54.55 C ATOM 1192 O GLN A 79 -1.787 10.115 -8.362 1.00 15.31 O ATOM 1193 CB GLN A 79 0.036 7.565 -8.418 1.00 15.54 C ATOM 1194 CG GLN A 79 1.414 7.020 -7.997 1.00 42.53 C ATOM 1195 CD GLN A 79 2.232 6.434 -9.145 1.00 33.13 C ATOM 1196 OE1 GLN A 79 1.687 5.889 -10.102 1.00 62.04 O ATOM 1197 NE2 GLN A 79 3.547 6.528 -9.059 1.00 40.51 N ATOM 0 H GLN A 79 -1.225 6.310 -6.591 1.00 2.23 H new ATOM 0 HA GLN A 79 -0.073 8.957 -6.781 1.00 75.44 H new ATOM 0 HB2 GLN A 79 -0.563 6.746 -8.815 1.00 15.54 H new ATOM 0 HB3 GLN A 79 0.171 8.283 -9.227 1.00 15.54 H new ATOM 0 HG2 GLN A 79 1.984 7.825 -7.533 1.00 42.53 H new ATOM 0 HG3 GLN A 79 1.272 6.251 -7.238 1.00 42.53 H new ATOM 0 HE21 GLN A 79 3.974 6.986 -8.254 1.00 40.51 H new ATOM 0 HE22 GLN A 79 4.135 6.143 -9.798 1.00 40.51 H new ATOM 1206 N PHE A 80 -3.152 8.432 -7.663 1.00 32.02 N ATOM 1207 CA PHE A 80 -4.417 9.081 -8.034 1.00 73.31 C ATOM 1208 C PHE A 80 -4.716 10.232 -7.063 1.00 32.45 C ATOM 1209 O PHE A 80 -5.034 11.347 -7.488 1.00 12.41 O ATOM 1210 CB PHE A 80 -5.571 8.040 -8.028 1.00 65.43 C ATOM 1211 CG PHE A 80 -6.944 8.596 -8.421 1.00 22.23 C ATOM 1212 CD1 PHE A 80 -7.244 8.874 -9.754 1.00 71.44 C ATOM 1213 CD2 PHE A 80 -7.938 8.822 -7.459 1.00 31.24 C ATOM 1214 CE1 PHE A 80 -8.481 9.376 -10.111 1.00 63.11 C ATOM 1215 CE2 PHE A 80 -9.173 9.325 -7.820 1.00 70.22 C ATOM 1216 CZ PHE A 80 -9.447 9.595 -9.147 1.00 72.41 C ATOM 0 H PHE A 80 -3.270 7.493 -7.283 1.00 32.02 H new ATOM 0 HA PHE A 80 -4.331 9.491 -9.040 1.00 73.31 H new ATOM 0 HB2 PHE A 80 -5.314 7.230 -8.711 1.00 65.43 H new ATOM 0 HB3 PHE A 80 -5.643 7.605 -7.031 1.00 65.43 H new ATOM 0 HD1 PHE A 80 -6.501 8.695 -10.517 1.00 71.44 H new ATOM 0 HD2 PHE A 80 -7.736 8.600 -6.422 1.00 31.24 H new ATOM 0 HE1 PHE A 80 -8.694 9.598 -11.146 1.00 63.11 H new ATOM 0 HE2 PHE A 80 -9.924 9.507 -7.065 1.00 70.22 H new ATOM 0 HZ PHE A 80 -10.416 9.977 -9.431 1.00 72.41 H new ATOM 1226 N TYR A 81 -4.596 9.939 -5.759 1.00 61.22 N ATOM 1227 CA TYR A 81 -4.922 10.893 -4.686 1.00 12.13 C ATOM 1228 C TYR A 81 -3.733 11.834 -4.373 1.00 23.12 C ATOM 1229 O TYR A 81 -3.943 13.004 -4.028 1.00 10.11 O ATOM 1230 CB TYR A 81 -5.346 10.125 -3.406 1.00 44.43 C ATOM 1231 CG TYR A 81 -6.611 9.264 -3.567 1.00 0.55 C ATOM 1232 CD1 TYR A 81 -7.868 9.853 -3.714 1.00 30.03 C ATOM 1233 CD2 TYR A 81 -6.552 7.866 -3.560 1.00 0.02 C ATOM 1234 CE1 TYR A 81 -9.010 9.086 -3.851 1.00 14.25 C ATOM 1235 CE2 TYR A 81 -7.689 7.095 -3.699 1.00 32.15 C ATOM 1236 CZ TYR A 81 -8.918 7.707 -3.842 1.00 13.24 C ATOM 1237 OH TYR A 81 -10.057 6.941 -3.977 1.00 3.24 O ATOM 0 H TYR A 81 -4.270 9.034 -5.418 1.00 61.22 H new ATOM 0 HA TYR A 81 -5.750 11.512 -5.031 1.00 12.13 H new ATOM 0 HB2 TYR A 81 -4.522 9.483 -3.093 1.00 44.43 H new ATOM 0 HB3 TYR A 81 -5.511 10.844 -2.604 1.00 44.43 H new ATOM 0 HD1 TYR A 81 -7.950 10.930 -3.721 1.00 30.03 H new ATOM 0 HD2 TYR A 81 -5.595 7.379 -3.443 1.00 0.02 H new ATOM 0 HE1 TYR A 81 -9.972 9.563 -3.965 1.00 14.25 H new ATOM 0 HE2 TYR A 81 -7.617 6.017 -3.696 1.00 32.15 H new ATOM 0 HH TYR A 81 -10.715 7.426 -4.518 1.00 3.24 H new ATOM 1247 N ILE A 82 -2.494 11.309 -4.487 1.00 11.12 N ATOM 1248 CA ILE A 82 -1.256 11.998 -4.043 1.00 2.11 C ATOM 1249 C ILE A 82 -0.179 11.933 -5.166 1.00 42.25 C ATOM 1250 O ILE A 82 0.248 10.837 -5.532 1.00 71.23 O ATOM 1251 CB ILE A 82 -0.680 11.335 -2.726 1.00 13.54 C ATOM 1252 CG1 ILE A 82 -1.761 11.276 -1.598 1.00 42.21 C ATOM 1253 CG2 ILE A 82 0.593 12.068 -2.240 1.00 72.42 C ATOM 1254 CD1 ILE A 82 -1.344 10.489 -0.369 1.00 61.33 C ATOM 0 H ILE A 82 -2.320 10.389 -4.892 1.00 11.12 H new ATOM 0 HA ILE A 82 -1.505 13.038 -3.831 1.00 2.11 H new ATOM 0 HB ILE A 82 -0.401 10.310 -2.970 1.00 13.54 H new ATOM 0 HG12 ILE A 82 -2.009 12.294 -1.296 1.00 42.21 H new ATOM 0 HG13 ILE A 82 -2.670 10.834 -2.006 1.00 42.21 H new ATOM 0 HG21 ILE A 82 0.965 11.589 -1.334 1.00 72.42 H new ATOM 0 HG22 ILE A 82 1.358 12.021 -3.015 1.00 72.42 H new ATOM 0 HG23 ILE A 82 0.354 13.110 -2.028 1.00 72.42 H new ATOM 0 HD11 ILE A 82 -2.153 10.500 0.362 1.00 61.33 H new ATOM 0 HD12 ILE A 82 -1.125 9.460 -0.653 1.00 61.33 H new ATOM 0 HD13 ILE A 82 -0.454 10.942 0.068 1.00 61.33 H new ATOM 1266 N PRO A 83 0.285 13.100 -5.720 1.00 32.34 N ATOM 1267 CA PRO A 83 1.322 13.125 -6.791 1.00 14.22 C ATOM 1268 C PRO A 83 2.759 12.911 -6.259 1.00 30.41 C ATOM 1269 O PRO A 83 3.680 12.717 -7.051 1.00 2.43 O ATOM 1270 CB PRO A 83 1.137 14.536 -7.401 1.00 52.32 C ATOM 1271 CG PRO A 83 0.680 15.387 -6.246 1.00 2.12 C ATOM 1272 CD PRO A 83 -0.176 14.479 -5.374 1.00 53.20 C ATOM 0 HA PRO A 83 1.200 12.313 -7.508 1.00 14.22 H new ATOM 0 HB2 PRO A 83 2.068 14.910 -7.826 1.00 52.32 H new ATOM 0 HB3 PRO A 83 0.400 14.528 -8.204 1.00 52.32 H new ATOM 0 HG2 PRO A 83 1.531 15.777 -5.687 1.00 2.12 H new ATOM 0 HG3 PRO A 83 0.108 16.246 -6.596 1.00 2.12 H new ATOM 0 HD2 PRO A 83 -0.033 14.693 -4.315 1.00 53.20 H new ATOM 0 HD3 PRO A 83 -1.237 14.609 -5.585 1.00 53.20 H new ATOM 1280 N GLU A 84 2.933 12.942 -4.919 1.00 54.32 N ATOM 1281 CA GLU A 84 4.254 12.774 -4.268 1.00 24.33 C ATOM 1282 C GLU A 84 4.741 11.315 -4.356 1.00 4.14 C ATOM 1283 O GLU A 84 5.951 11.056 -4.400 1.00 31.10 O ATOM 1284 CB GLU A 84 4.185 13.215 -2.775 1.00 2.24 C ATOM 1285 CG GLU A 84 3.481 14.567 -2.520 1.00 72.11 C ATOM 1286 CD GLU A 84 4.090 15.744 -3.300 1.00 34.33 C ATOM 1287 OE1 GLU A 84 5.003 16.417 -2.779 1.00 1.34 O ATOM 1288 OE2 GLU A 84 3.637 16.019 -4.435 1.00 32.43 O ATOM 0 H GLU A 84 2.167 13.083 -4.260 1.00 54.32 H new ATOM 0 HA GLU A 84 4.966 13.407 -4.799 1.00 24.33 H new ATOM 0 HB2 GLU A 84 3.667 12.441 -2.208 1.00 2.24 H new ATOM 0 HB3 GLU A 84 5.200 13.273 -2.382 1.00 2.24 H new ATOM 0 HG2 GLU A 84 2.428 14.473 -2.787 1.00 72.11 H new ATOM 0 HG3 GLU A 84 3.521 14.791 -1.454 1.00 72.11 H new ATOM 1295 N VAL A 85 3.771 10.379 -4.369 1.00 44.03 N ATOM 1296 CA VAL A 85 4.029 8.937 -4.431 1.00 53.22 C ATOM 1297 C VAL A 85 4.638 8.551 -5.797 1.00 33.45 C ATOM 1298 O VAL A 85 3.939 8.522 -6.807 1.00 21.53 O ATOM 1299 CB VAL A 85 2.709 8.121 -4.159 1.00 75.33 C ATOM 1300 CG1 VAL A 85 2.938 6.593 -4.275 1.00 43.31 C ATOM 1301 CG2 VAL A 85 2.124 8.486 -2.772 1.00 61.32 C ATOM 0 H VAL A 85 2.778 10.611 -4.336 1.00 44.03 H new ATOM 0 HA VAL A 85 4.749 8.686 -3.652 1.00 53.22 H new ATOM 0 HB VAL A 85 1.987 8.397 -4.928 1.00 75.33 H new ATOM 0 HG11 VAL A 85 2.002 6.069 -4.080 1.00 43.31 H new ATOM 0 HG12 VAL A 85 3.286 6.352 -5.280 1.00 43.31 H new ATOM 0 HG13 VAL A 85 3.687 6.281 -3.547 1.00 43.31 H new ATOM 0 HG21 VAL A 85 1.212 7.914 -2.600 1.00 61.32 H new ATOM 0 HG22 VAL A 85 2.853 8.250 -1.996 1.00 61.32 H new ATOM 0 HG23 VAL A 85 1.895 9.551 -2.743 1.00 61.32 H new ATOM 1311 N GLU A 86 5.956 8.315 -5.808 1.00 13.35 N ATOM 1312 CA GLU A 86 6.685 7.780 -6.969 1.00 12.41 C ATOM 1313 C GLU A 86 6.330 6.306 -7.216 1.00 45.51 C ATOM 1314 O GLU A 86 6.310 5.838 -8.363 1.00 11.43 O ATOM 1315 CB GLU A 86 8.213 7.928 -6.754 1.00 4.32 C ATOM 1316 CG GLU A 86 8.738 9.376 -6.865 1.00 51.21 C ATOM 1317 CD GLU A 86 8.570 10.004 -8.262 1.00 63.12 C ATOM 1318 OE1 GLU A 86 8.646 9.276 -9.281 1.00 30.11 O ATOM 1319 OE2 GLU A 86 8.395 11.237 -8.357 1.00 34.43 O ATOM 0 H GLU A 86 6.555 8.492 -5.002 1.00 13.35 H new ATOM 0 HA GLU A 86 6.388 8.353 -7.847 1.00 12.41 H new ATOM 0 HB2 GLU A 86 8.468 7.537 -5.769 1.00 4.32 H new ATOM 0 HB3 GLU A 86 8.732 7.310 -7.487 1.00 4.32 H new ATOM 0 HG2 GLU A 86 8.217 9.996 -6.135 1.00 51.21 H new ATOM 0 HG3 GLU A 86 9.795 9.389 -6.598 1.00 51.21 H new ATOM 1326 N GLY A 87 6.058 5.583 -6.137 1.00 3.05 N ATOM 1327 CA GLY A 87 5.718 4.176 -6.222 1.00 75.01 C ATOM 1328 C GLY A 87 5.455 3.564 -4.874 1.00 0.21 C ATOM 1329 O GLY A 87 5.394 4.263 -3.861 1.00 4.40 O ATOM 0 H GLY A 87 6.068 5.955 -5.187 1.00 3.05 H new ATOM 0 HA2 GLY A 87 4.835 4.056 -6.850 1.00 75.01 H new ATOM 0 HA3 GLY A 87 6.531 3.638 -6.709 1.00 75.01 H new ATOM 1333 N VAL A 88 5.282 2.246 -4.882 1.00 60.21 N ATOM 1334 CA VAL A 88 5.111 1.410 -3.685 1.00 33.41 C ATOM 1335 C VAL A 88 6.139 0.270 -3.769 1.00 41.10 C ATOM 1336 O VAL A 88 6.456 -0.202 -4.869 1.00 43.42 O ATOM 1337 CB VAL A 88 3.630 0.847 -3.579 1.00 24.14 C ATOM 1338 CG1 VAL A 88 3.459 -0.177 -2.426 1.00 3.34 C ATOM 1339 CG2 VAL A 88 2.618 2.010 -3.420 1.00 12.41 C ATOM 0 H VAL A 88 5.255 1.707 -5.747 1.00 60.21 H new ATOM 0 HA VAL A 88 5.277 2.002 -2.785 1.00 33.41 H new ATOM 0 HB VAL A 88 3.428 0.316 -4.509 1.00 24.14 H new ATOM 0 HG11 VAL A 88 2.427 -0.528 -2.401 1.00 3.34 H new ATOM 0 HG12 VAL A 88 4.126 -1.023 -2.589 1.00 3.34 H new ATOM 0 HG13 VAL A 88 3.703 0.300 -1.477 1.00 3.34 H new ATOM 0 HG21 VAL A 88 1.608 1.606 -3.349 1.00 12.41 H new ATOM 0 HG22 VAL A 88 2.849 2.572 -2.515 1.00 12.41 H new ATOM 0 HG23 VAL A 88 2.684 2.671 -4.284 1.00 12.41 H new ATOM 1349 N GLU A 89 6.684 -0.137 -2.623 1.00 61.33 N ATOM 1350 CA GLU A 89 7.656 -1.234 -2.537 1.00 33.11 C ATOM 1351 C GLU A 89 7.211 -2.208 -1.449 1.00 3.41 C ATOM 1352 O GLU A 89 6.710 -1.782 -0.407 1.00 14.24 O ATOM 1353 CB GLU A 89 9.076 -0.691 -2.227 1.00 74.22 C ATOM 1354 CG GLU A 89 10.170 -1.776 -2.145 1.00 75.25 C ATOM 1355 CD GLU A 89 11.547 -1.203 -1.800 1.00 64.24 C ATOM 1356 OE1 GLU A 89 11.867 -1.070 -0.600 1.00 13.04 O ATOM 1357 OE2 GLU A 89 12.306 -0.855 -2.727 1.00 72.22 O ATOM 0 H GLU A 89 6.464 0.286 -1.721 1.00 61.33 H new ATOM 0 HA GLU A 89 7.699 -1.750 -3.496 1.00 33.11 H new ATOM 0 HB2 GLU A 89 9.353 0.029 -2.997 1.00 74.22 H new ATOM 0 HB3 GLU A 89 9.046 -0.150 -1.281 1.00 74.22 H new ATOM 0 HG2 GLU A 89 9.889 -2.513 -1.393 1.00 75.25 H new ATOM 0 HG3 GLU A 89 10.228 -2.300 -3.099 1.00 75.25 H new ATOM 1364 N GLN A 90 7.391 -3.510 -1.700 1.00 51.52 N ATOM 1365 CA GLN A 90 7.225 -4.529 -0.675 1.00 13.44 C ATOM 1366 C GLN A 90 8.539 -4.619 0.111 1.00 70.33 C ATOM 1367 O GLN A 90 9.583 -4.936 -0.464 1.00 73.31 O ATOM 1368 CB GLN A 90 6.904 -5.911 -1.281 1.00 73.53 C ATOM 1369 CG GLN A 90 6.742 -7.024 -0.217 1.00 21.21 C ATOM 1370 CD GLN A 90 6.720 -8.431 -0.791 1.00 2.42 C ATOM 1371 OE1 GLN A 90 7.340 -8.705 -1.811 1.00 22.30 O ATOM 1372 NE2 GLN A 90 6.019 -9.333 -0.140 1.00 1.24 N ATOM 0 H GLN A 90 7.654 -3.878 -2.614 1.00 51.52 H new ATOM 0 HA GLN A 90 6.389 -4.250 -0.034 1.00 13.44 H new ATOM 0 HB2 GLN A 90 5.986 -5.840 -1.865 1.00 73.53 H new ATOM 0 HB3 GLN A 90 7.700 -6.191 -1.971 1.00 73.53 H new ATOM 0 HG2 GLN A 90 7.559 -6.948 0.500 1.00 21.21 H new ATOM 0 HG3 GLN A 90 5.817 -6.853 0.334 1.00 21.21 H new ATOM 0 HE21 GLN A 90 5.514 -9.072 0.707 1.00 1.24 H new ATOM 0 HE22 GLN A 90 5.981 -10.293 -0.482 1.00 1.24 H new ATOM 1381 N VAL A 91 8.487 -4.273 1.398 1.00 64.12 N ATOM 1382 CA VAL A 91 9.580 -4.528 2.343 1.00 60.33 C ATOM 1383 C VAL A 91 9.223 -5.774 3.175 1.00 33.15 C ATOM 1384 O VAL A 91 8.271 -5.757 3.969 1.00 1.43 O ATOM 1385 CB VAL A 91 9.877 -3.273 3.263 1.00 12.12 C ATOM 1386 CG1 VAL A 91 10.675 -2.193 2.491 1.00 23.23 C ATOM 1387 CG2 VAL A 91 8.576 -2.663 3.844 1.00 42.23 C ATOM 0 H VAL A 91 7.683 -3.806 1.818 1.00 64.12 H new ATOM 0 HA VAL A 91 10.500 -4.711 1.787 1.00 60.33 H new ATOM 0 HB VAL A 91 10.483 -3.627 4.097 1.00 12.12 H new ATOM 0 HG11 VAL A 91 10.865 -1.343 3.146 1.00 23.23 H new ATOM 0 HG12 VAL A 91 11.624 -2.612 2.156 1.00 23.23 H new ATOM 0 HG13 VAL A 91 10.099 -1.863 1.627 1.00 23.23 H new ATOM 0 HG21 VAL A 91 8.824 -1.805 4.469 1.00 42.23 H new ATOM 0 HG22 VAL A 91 7.928 -2.343 3.028 1.00 42.23 H new ATOM 0 HG23 VAL A 91 8.060 -3.412 4.444 1.00 42.23 H new