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 75 GLN : amide:sc= -1.11 K(o=-1.9,f=-0.022) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.758 K(o=-1.9,f=-0.022) USER MOD Set 2.1: A 71 LYS NZ :NH3+ 167:sc= 0.906 (180deg=-0.0687) USER MOD Set 2.2: A 72 ASN : amide:sc= -0.258 K(o=0.65,f=-4.9) USER MOD Set 3.1: A 63 CYS SG : rot 180:sc= 1.35 USER MOD Set 3.2: A 66 SER OG : rot -108:sc= 1.43 USER MOD Single : A 22 MET CE :methyl -158:sc= -0.196 (180deg=-0.706) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -84:sc= 1.08 USER MOD Single : A 34 THR OG1 : rot 112:sc= 0.821 USER MOD Single : A 36 GLN : amide:sc= 0.0723 X(o=0.072,f=-0.3) USER MOD Single : A 44 TYR OH : rot -122:sc= -2.55! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.208 K(o=0.21,f=-0.35) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.939 X(o=-0.94,f=-0.49) USER MOD Single : A 59 SER OG : rot -99:sc= 0.106 USER MOD Single : A 60 CYS SG : rot -14:sc= 0.322 USER MOD Single : A 61 THR OG1 : rot -81:sc= -0.696 USER MOD Single : A 62 SER OG : rot 97:sc= 0.727 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 76 ASN : amide:sc= -1.15 K(o=-1.2,f=0) USER MOD Single : A 77 MET CE :methyl 159:sc= -0.0736 (180deg=-0.861) USER MOD Single : A 81 TYR OH : rot 151:sc= -0.0116 USER MOD Single : A 90 GLN : amide:sc= -0.81 K(o=-0.81,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 4.266 14.757 7.099 1.00 20.30 N ATOM 242 CA ASP A 17 3.578 13.615 7.726 1.00 32.11 C ATOM 243 C ASP A 17 2.053 13.686 7.470 1.00 24.35 C ATOM 244 O ASP A 17 1.335 12.737 7.741 1.00 64.51 O ATOM 245 CB ASP A 17 3.898 13.554 9.244 1.00 72.00 C ATOM 246 CG ASP A 17 3.452 12.236 9.910 1.00 54.54 C ATOM 247 OD1 ASP A 17 4.134 11.199 9.715 1.00 23.00 O ATOM 248 OD2 ASP A 17 2.416 12.228 10.624 1.00 24.42 O ATOM 0 HA ASP A 17 3.945 12.695 7.271 1.00 32.11 H new ATOM 0 HB2 ASP A 17 4.971 13.680 9.387 1.00 72.00 H new ATOM 0 HB3 ASP A 17 3.409 14.390 9.745 1.00 72.00 H new ATOM 253 N GLY A 18 1.582 14.837 6.947 1.00 44.11 N ATOM 254 CA GLY A 18 0.210 14.984 6.456 1.00 64.53 C ATOM 255 C GLY A 18 -0.058 14.077 5.258 1.00 1.24 C ATOM 256 O GLY A 18 -1.091 13.404 5.189 1.00 21.22 O ATOM 0 H GLY A 18 2.145 15.683 6.857 1.00 44.11 H new ATOM 0 HA2 GLY A 18 -0.491 14.747 7.256 1.00 64.53 H new ATOM 0 HA3 GLY A 18 0.033 16.022 6.174 1.00 64.53 H new ATOM 260 N VAL A 19 0.919 14.051 4.327 1.00 71.24 N ATOM 261 CA VAL A 19 0.935 13.121 3.175 1.00 52.44 C ATOM 262 C VAL A 19 0.959 11.671 3.686 1.00 3.02 C ATOM 263 O VAL A 19 0.122 10.853 3.309 1.00 33.05 O ATOM 264 CB VAL A 19 2.184 13.382 2.238 1.00 42.34 C ATOM 265 CG1 VAL A 19 2.301 12.324 1.102 1.00 31.00 C ATOM 266 CG2 VAL A 19 2.135 14.813 1.653 1.00 61.14 C ATOM 0 H VAL A 19 1.724 14.677 4.352 1.00 71.24 H new ATOM 0 HA VAL A 19 0.034 13.291 2.586 1.00 52.44 H new ATOM 0 HB VAL A 19 3.077 13.285 2.856 1.00 42.34 H new ATOM 0 HG11 VAL A 19 3.173 12.546 0.486 1.00 31.00 H new ATOM 0 HG12 VAL A 19 2.409 11.331 1.539 1.00 31.00 H new ATOM 0 HG13 VAL A 19 1.404 12.353 0.484 1.00 31.00 H new ATOM 0 HG21 VAL A 19 3.002 14.974 1.012 1.00 61.14 H new ATOM 0 HG22 VAL A 19 1.223 14.936 1.069 1.00 61.14 H new ATOM 0 HG23 VAL A 19 2.146 15.539 2.466 1.00 61.14 H new ATOM 276 N VAL A 20 1.905 11.414 4.599 1.00 33.14 N ATOM 277 CA VAL A 20 2.141 10.094 5.216 1.00 43.44 C ATOM 278 C VAL A 20 0.887 9.556 5.941 1.00 33.33 C ATOM 279 O VAL A 20 0.568 8.368 5.836 1.00 50.32 O ATOM 280 CB VAL A 20 3.362 10.201 6.208 1.00 1.14 C ATOM 281 CG1 VAL A 20 3.565 8.930 7.069 1.00 2.20 C ATOM 282 CG2 VAL A 20 4.656 10.558 5.426 1.00 63.43 C ATOM 0 H VAL A 20 2.544 12.132 4.940 1.00 33.14 H new ATOM 0 HA VAL A 20 2.370 9.380 4.425 1.00 43.44 H new ATOM 0 HB VAL A 20 3.131 11.003 6.909 1.00 1.14 H new ATOM 0 HG11 VAL A 20 4.421 9.071 7.729 1.00 2.20 H new ATOM 0 HG12 VAL A 20 2.672 8.749 7.667 1.00 2.20 H new ATOM 0 HG13 VAL A 20 3.745 8.075 6.418 1.00 2.20 H new ATOM 0 HG21 VAL A 20 5.493 10.629 6.121 1.00 63.43 H new ATOM 0 HG22 VAL A 20 4.861 9.782 4.689 1.00 63.43 H new ATOM 0 HG23 VAL A 20 4.523 11.514 4.919 1.00 63.43 H new ATOM 292 N ALA A 21 0.164 10.461 6.624 1.00 71.20 N ATOM 293 CA ALA A 21 -1.009 10.109 7.445 1.00 30.42 C ATOM 294 C ALA A 21 -2.193 9.706 6.564 1.00 53.31 C ATOM 295 O ALA A 21 -2.890 8.727 6.861 1.00 11.12 O ATOM 296 CB ALA A 21 -1.404 11.271 8.372 1.00 71.31 C ATOM 0 H ALA A 21 0.377 11.459 6.623 1.00 71.20 H new ATOM 0 HA ALA A 21 -0.734 9.255 8.064 1.00 30.42 H new ATOM 0 HB1 ALA A 21 -2.272 10.984 8.966 1.00 71.31 H new ATOM 0 HB2 ALA A 21 -0.572 11.506 9.036 1.00 71.31 H new ATOM 0 HB3 ALA A 21 -1.649 12.148 7.772 1.00 71.31 H new ATOM 302 N MET A 22 -2.413 10.455 5.466 1.00 34.40 N ATOM 303 CA MET A 22 -3.505 10.142 4.535 1.00 53.20 C ATOM 304 C MET A 22 -3.175 8.892 3.699 1.00 2.43 C ATOM 305 O MET A 22 -4.090 8.220 3.251 1.00 61.14 O ATOM 306 CB MET A 22 -3.909 11.352 3.650 1.00 33.42 C ATOM 307 CG MET A 22 -2.840 11.881 2.700 1.00 24.20 C ATOM 308 SD MET A 22 -3.466 13.177 1.603 1.00 33.13 S ATOM 309 CE MET A 22 -4.747 12.315 0.678 1.00 13.12 C ATOM 0 H MET A 22 -1.856 11.269 5.208 1.00 34.40 H new ATOM 0 HA MET A 22 -4.384 9.915 5.139 1.00 53.20 H new ATOM 0 HB2 MET A 22 -4.781 11.069 3.060 1.00 33.42 H new ATOM 0 HB3 MET A 22 -4.218 12.167 4.305 1.00 33.42 H new ATOM 0 HG2 MET A 22 -2.005 12.273 3.280 1.00 24.20 H new ATOM 0 HG3 MET A 22 -2.452 11.058 2.100 1.00 24.20 H new ATOM 0 HE1 MET A 22 -4.935 12.840 -0.259 1.00 13.12 H new ATOM 0 HE2 MET A 22 -4.420 11.297 0.465 1.00 13.12 H new ATOM 0 HE3 MET A 22 -5.664 12.285 1.267 1.00 13.12 H new ATOM 319 N ILE A 23 -1.868 8.554 3.522 1.00 51.31 N ATOM 320 CA ILE A 23 -1.475 7.252 2.929 1.00 21.01 C ATOM 321 C ILE A 23 -1.936 6.121 3.869 1.00 51.24 C ATOM 322 O ILE A 23 -2.605 5.186 3.428 1.00 24.14 O ATOM 323 CB ILE A 23 0.082 7.116 2.662 1.00 43.44 C ATOM 324 CG1 ILE A 23 0.588 8.208 1.673 1.00 1.14 C ATOM 325 CG2 ILE A 23 0.436 5.703 2.124 1.00 15.44 C ATOM 326 CD1 ILE A 23 2.097 8.236 1.442 1.00 63.33 C ATOM 0 H ILE A 23 -1.084 9.155 3.777 1.00 51.31 H new ATOM 0 HA ILE A 23 -1.959 7.185 1.955 1.00 21.01 H new ATOM 0 HB ILE A 23 0.586 7.261 3.617 1.00 43.44 H new ATOM 0 HG12 ILE A 23 0.094 8.061 0.713 1.00 1.14 H new ATOM 0 HG13 ILE A 23 0.277 9.184 2.046 1.00 1.14 H new ATOM 0 HG21 ILE A 23 1.510 5.639 1.950 1.00 15.44 H new ATOM 0 HG22 ILE A 23 0.141 4.951 2.856 1.00 15.44 H new ATOM 0 HG23 ILE A 23 -0.094 5.527 1.188 1.00 15.44 H new ATOM 0 HD11 ILE A 23 2.343 9.031 0.738 1.00 63.33 H new ATOM 0 HD12 ILE A 23 2.607 8.418 2.388 1.00 63.33 H new ATOM 0 HD13 ILE A 23 2.420 7.278 1.034 1.00 63.33 H new ATOM 338 N LYS A 24 -1.614 6.275 5.180 1.00 70.42 N ATOM 339 CA LYS A 24 -1.977 5.305 6.242 1.00 61.20 C ATOM 340 C LYS A 24 -3.476 4.984 6.234 1.00 74.41 C ATOM 341 O LYS A 24 -3.857 3.816 6.330 1.00 74.25 O ATOM 342 CB LYS A 24 -1.593 5.847 7.651 1.00 20.02 C ATOM 343 CG LYS A 24 -0.087 5.998 7.921 1.00 43.42 C ATOM 344 CD LYS A 24 0.203 6.601 9.319 1.00 74.43 C ATOM 345 CE LYS A 24 1.706 6.709 9.629 1.00 51.34 C ATOM 346 NZ LYS A 24 1.961 7.332 10.953 1.00 44.02 N ATOM 0 H LYS A 24 -1.093 7.079 5.529 1.00 70.42 H new ATOM 0 HA LYS A 24 -1.417 4.394 6.031 1.00 61.20 H new ATOM 0 HB2 LYS A 24 -2.067 6.819 7.787 1.00 20.02 H new ATOM 0 HB3 LYS A 24 -2.013 5.179 8.403 1.00 20.02 H new ATOM 0 HG2 LYS A 24 0.394 5.023 7.842 1.00 43.42 H new ATOM 0 HG3 LYS A 24 0.355 6.634 7.155 1.00 43.42 H new ATOM 0 HD2 LYS A 24 -0.247 7.592 9.381 1.00 74.43 H new ATOM 0 HD3 LYS A 24 -0.276 5.985 10.080 1.00 74.43 H new ATOM 0 HE2 LYS A 24 2.153 5.715 9.605 1.00 51.34 H new ATOM 0 HE3 LYS A 24 2.194 7.297 8.852 1.00 51.34 H new ATOM 0 HZ1 LYS A 24 2.986 7.385 11.120 1.00 44.02 H new ATOM 0 HZ2 LYS A 24 1.558 8.291 10.969 1.00 44.02 H new ATOM 0 HZ3 LYS A 24 1.518 6.758 11.698 1.00 44.02 H new ATOM 360 N GLU A 25 -4.318 6.034 6.112 1.00 54.42 N ATOM 361 CA GLU A 25 -5.776 5.880 6.186 1.00 40.12 C ATOM 362 C GLU A 25 -6.325 5.288 4.875 1.00 24.31 C ATOM 363 O GLU A 25 -7.199 4.457 4.930 1.00 33.01 O ATOM 364 CB GLU A 25 -6.487 7.216 6.548 1.00 21.31 C ATOM 365 CG GLU A 25 -6.679 8.201 5.379 1.00 13.33 C ATOM 366 CD GLU A 25 -7.202 9.567 5.830 1.00 10.34 C ATOM 367 OE1 GLU A 25 -6.426 10.332 6.439 1.00 71.34 O ATOM 368 OE2 GLU A 25 -8.385 9.884 5.592 1.00 50.41 O ATOM 0 H GLU A 25 -4.007 6.994 5.962 1.00 54.42 H new ATOM 0 HA GLU A 25 -5.993 5.181 6.994 1.00 40.12 H new ATOM 0 HB2 GLU A 25 -7.465 6.985 6.970 1.00 21.31 H new ATOM 0 HB3 GLU A 25 -5.912 7.714 7.329 1.00 21.31 H new ATOM 0 HG2 GLU A 25 -5.728 8.334 4.863 1.00 13.33 H new ATOM 0 HG3 GLU A 25 -7.375 7.771 4.659 1.00 13.33 H new ATOM 375 N LEU A 26 -5.779 5.704 3.699 1.00 2.14 N ATOM 376 CA LEU A 26 -6.228 5.195 2.371 1.00 43.34 C ATOM 377 C LEU A 26 -5.951 3.690 2.240 1.00 4.00 C ATOM 378 O LEU A 26 -6.648 2.983 1.522 1.00 13.35 O ATOM 379 CB LEU A 26 -5.538 5.964 1.211 1.00 3.24 C ATOM 380 CG LEU A 26 -5.992 7.444 1.001 1.00 61.33 C ATOM 381 CD1 LEU A 26 -5.061 8.175 0.014 1.00 1.14 C ATOM 382 CD2 LEU A 26 -7.469 7.526 0.543 1.00 41.21 C ATOM 0 H LEU A 26 -5.027 6.391 3.643 1.00 2.14 H new ATOM 0 HA LEU A 26 -7.303 5.362 2.303 1.00 43.34 H new ATOM 0 HB2 LEU A 26 -4.462 5.957 1.387 1.00 3.24 H new ATOM 0 HB3 LEU A 26 -5.713 5.417 0.285 1.00 3.24 H new ATOM 0 HG LEU A 26 -5.921 7.949 1.964 1.00 61.33 H new ATOM 0 HD11 LEU A 26 -5.401 9.203 -0.113 1.00 1.14 H new ATOM 0 HD12 LEU A 26 -4.044 8.175 0.405 1.00 1.14 H new ATOM 0 HD13 LEU A 26 -5.079 7.665 -0.949 1.00 1.14 H new ATOM 0 HD21 LEU A 26 -7.750 8.570 0.407 1.00 41.21 H new ATOM 0 HD22 LEU A 26 -7.588 6.992 -0.400 1.00 41.21 H new ATOM 0 HD23 LEU A 26 -8.110 7.073 1.299 1.00 41.21 H new ATOM 394 N LEU A 27 -4.913 3.220 2.934 1.00 22.42 N ATOM 395 CA LEU A 27 -4.627 1.792 3.054 1.00 32.21 C ATOM 396 C LEU A 27 -5.628 1.156 4.030 1.00 30.53 C ATOM 397 O LEU A 27 -6.355 0.247 3.665 1.00 53.42 O ATOM 398 CB LEU A 27 -3.177 1.593 3.541 1.00 65.33 C ATOM 399 CG LEU A 27 -2.066 2.171 2.608 1.00 51.30 C ATOM 400 CD1 LEU A 27 -0.695 2.154 3.301 1.00 41.11 C ATOM 401 CD2 LEU A 27 -2.024 1.435 1.250 1.00 34.12 C ATOM 0 H LEU A 27 -4.250 3.818 3.427 1.00 22.42 H new ATOM 0 HA LEU A 27 -4.730 1.307 2.083 1.00 32.21 H new ATOM 0 HB2 LEU A 27 -3.077 2.053 4.524 1.00 65.33 H new ATOM 0 HB3 LEU A 27 -2.999 0.525 3.669 1.00 65.33 H new ATOM 0 HG LEU A 27 -2.319 3.211 2.402 1.00 51.30 H new ATOM 0 HD11 LEU A 27 0.058 2.562 2.627 1.00 41.11 H new ATOM 0 HD12 LEU A 27 -0.738 2.759 4.207 1.00 41.11 H new ATOM 0 HD13 LEU A 27 -0.432 1.129 3.561 1.00 41.11 H new ATOM 0 HD21 LEU A 27 -1.239 1.864 0.628 1.00 34.12 H new ATOM 0 HD22 LEU A 27 -1.818 0.378 1.416 1.00 34.12 H new ATOM 0 HD23 LEU A 27 -2.985 1.543 0.748 1.00 34.12 H new ATOM 413 N ASP A 28 -5.702 1.714 5.250 1.00 61.24 N ATOM 414 CA ASP A 28 -6.475 1.133 6.377 1.00 14.31 C ATOM 415 C ASP A 28 -7.994 1.063 6.091 1.00 11.33 C ATOM 416 O ASP A 28 -8.698 0.204 6.638 1.00 53.15 O ATOM 417 CB ASP A 28 -6.182 1.945 7.660 1.00 10.24 C ATOM 418 CG ASP A 28 -6.817 1.355 8.929 1.00 73.15 C ATOM 419 OD1 ASP A 28 -6.347 0.293 9.396 1.00 32.42 O ATOM 420 OD2 ASP A 28 -7.771 1.955 9.469 1.00 74.01 O ATOM 0 H ASP A 28 -5.228 2.585 5.490 1.00 61.24 H new ATOM 0 HA ASP A 28 -6.153 0.100 6.512 1.00 14.31 H new ATOM 0 HB2 ASP A 28 -5.103 2.007 7.801 1.00 10.24 H new ATOM 0 HB3 ASP A 28 -6.545 2.964 7.524 1.00 10.24 H new ATOM 425 N THR A 29 -8.477 1.959 5.221 1.00 53.41 N ATOM 426 CA THR A 29 -9.893 2.031 4.826 1.00 13.44 C ATOM 427 C THR A 29 -10.148 1.169 3.575 1.00 60.42 C ATOM 428 O THR A 29 -11.026 0.299 3.581 1.00 45.41 O ATOM 429 CB THR A 29 -10.329 3.522 4.563 1.00 2.35 C ATOM 430 OG1 THR A 29 -9.487 4.120 3.562 1.00 51.21 O ATOM 431 CG2 THR A 29 -10.277 4.368 5.855 1.00 0.54 C ATOM 0 H THR A 29 -7.893 2.661 4.767 1.00 53.41 H new ATOM 0 HA THR A 29 -10.494 1.641 5.647 1.00 13.44 H new ATOM 0 HB THR A 29 -11.360 3.503 4.210 1.00 2.35 H new ATOM 0 HG1 THR A 29 -8.669 4.458 3.982 1.00 51.21 H new ATOM 0 HG21 THR A 29 -10.584 5.390 5.633 1.00 0.54 H new ATOM 0 HG22 THR A 29 -10.950 3.940 6.598 1.00 0.54 H new ATOM 0 HG23 THR A 29 -9.260 4.372 6.247 1.00 0.54 H new ATOM 439 N ARG A 30 -9.344 1.390 2.518 1.00 53.23 N ATOM 440 CA ARG A 30 -9.603 0.821 1.174 1.00 23.31 C ATOM 441 C ARG A 30 -8.916 -0.552 0.968 1.00 34.23 C ATOM 442 O ARG A 30 -9.565 -1.514 0.543 1.00 73.32 O ATOM 443 CB ARG A 30 -9.138 1.819 0.076 1.00 63.33 C ATOM 444 CG ARG A 30 -9.749 3.237 0.198 1.00 53.13 C ATOM 445 CD ARG A 30 -9.223 4.211 -0.873 1.00 30.02 C ATOM 446 NE ARG A 30 -9.397 3.669 -2.235 1.00 5.40 N ATOM 447 CZ ARG A 30 -10.413 3.951 -3.066 1.00 72.13 C ATOM 448 NH1 ARG A 30 -11.392 4.778 -2.706 1.00 24.31 N ATOM 449 NH2 ARG A 30 -10.447 3.378 -4.257 1.00 55.31 N ATOM 0 H ARG A 30 -8.502 1.963 2.566 1.00 53.23 H new ATOM 0 HA ARG A 30 -10.678 0.658 1.095 1.00 23.31 H new ATOM 0 HB2 ARG A 30 -8.052 1.901 0.113 1.00 63.33 H new ATOM 0 HB3 ARG A 30 -9.394 1.410 -0.901 1.00 63.33 H new ATOM 0 HG2 ARG A 30 -10.834 3.168 0.117 1.00 53.13 H new ATOM 0 HG3 ARG A 30 -9.528 3.638 1.187 1.00 53.13 H new ATOM 0 HD2 ARG A 30 -9.749 5.162 -0.790 1.00 30.02 H new ATOM 0 HD3 ARG A 30 -8.167 4.414 -0.694 1.00 30.02 H new ATOM 0 HE ARG A 30 -8.683 3.024 -2.574 1.00 5.40 H new ATOM 0 HH11 ARG A 30 -11.380 5.211 -1.783 1.00 24.31 H new ATOM 0 HH12 ARG A 30 -12.154 4.978 -3.353 1.00 24.31 H new ATOM 0 HH21 ARG A 30 -9.708 2.732 -4.533 1.00 55.31 H new ATOM 0 HH22 ARG A 30 -11.212 3.582 -4.900 1.00 55.31 H new ATOM 463 N ILE A 31 -7.610 -0.632 1.281 1.00 73.43 N ATOM 464 CA ILE A 31 -6.757 -1.788 0.905 1.00 30.52 C ATOM 465 C ILE A 31 -6.763 -2.895 1.983 1.00 65.15 C ATOM 466 O ILE A 31 -7.152 -4.027 1.689 1.00 21.20 O ATOM 467 CB ILE A 31 -5.273 -1.336 0.611 1.00 14.44 C ATOM 468 CG1 ILE A 31 -5.230 -0.231 -0.496 1.00 52.33 C ATOM 469 CG2 ILE A 31 -4.372 -2.543 0.227 1.00 65.25 C ATOM 470 CD1 ILE A 31 -5.789 -0.635 -1.853 1.00 1.43 C ATOM 0 H ILE A 31 -7.114 0.094 1.798 1.00 73.43 H new ATOM 0 HA ILE A 31 -7.188 -2.203 -0.006 1.00 30.52 H new ATOM 0 HB ILE A 31 -4.874 -0.909 1.531 1.00 14.44 H new ATOM 0 HG12 ILE A 31 -5.784 0.637 -0.139 1.00 52.33 H new ATOM 0 HG13 ILE A 31 -4.195 0.084 -0.629 1.00 52.33 H new ATOM 0 HG21 ILE A 31 -3.358 -2.193 0.032 1.00 65.25 H new ATOM 0 HG22 ILE A 31 -4.356 -3.261 1.047 1.00 65.25 H new ATOM 0 HG23 ILE A 31 -4.769 -3.023 -0.668 1.00 65.25 H new ATOM 0 HD11 ILE A 31 -5.710 0.205 -2.544 1.00 1.43 H new ATOM 0 HD12 ILE A 31 -5.222 -1.480 -2.243 1.00 1.43 H new ATOM 0 HD13 ILE A 31 -6.836 -0.919 -1.745 1.00 1.43 H new ATOM 482 N ARG A 32 -6.340 -2.551 3.227 1.00 32.32 N ATOM 483 CA ARG A 32 -6.156 -3.529 4.336 1.00 20.11 C ATOM 484 C ARG A 32 -7.381 -4.462 4.538 1.00 75.13 C ATOM 485 O ARG A 32 -7.191 -5.669 4.483 1.00 64.23 O ATOM 486 CB ARG A 32 -5.791 -2.846 5.689 1.00 24.03 C ATOM 487 CG ARG A 32 -4.506 -1.997 5.690 1.00 3.41 C ATOM 488 CD ARG A 32 -4.068 -1.583 7.106 1.00 30.04 C ATOM 489 NE ARG A 32 -3.703 -2.763 7.909 1.00 1.45 N ATOM 490 CZ ARG A 32 -4.063 -2.997 9.173 1.00 33.33 C ATOM 491 NH1 ARG A 32 -4.815 -2.148 9.843 1.00 2.12 N ATOM 492 NH2 ARG A 32 -3.676 -4.107 9.760 1.00 14.13 N ATOM 0 H ARG A 32 -6.117 -1.591 3.491 1.00 32.32 H new ATOM 0 HA ARG A 32 -5.313 -4.143 4.020 1.00 20.11 H new ATOM 0 HB2 ARG A 32 -6.624 -2.210 5.989 1.00 24.03 H new ATOM 0 HB3 ARG A 32 -5.692 -3.621 6.449 1.00 24.03 H new ATOM 0 HG2 ARG A 32 -3.703 -2.561 5.216 1.00 3.41 H new ATOM 0 HG3 ARG A 32 -4.666 -1.103 5.088 1.00 3.41 H new ATOM 0 HD2 ARG A 32 -3.218 -0.903 7.044 1.00 30.04 H new ATOM 0 HD3 ARG A 32 -4.876 -1.040 7.597 1.00 30.04 H new ATOM 0 HE ARG A 32 -3.120 -3.467 7.457 1.00 1.45 H new ATOM 0 HH11 ARG A 32 -5.136 -1.289 9.397 1.00 2.12 H new ATOM 0 HH12 ARG A 32 -5.076 -2.350 10.808 1.00 2.12 H new ATOM 0 HH21 ARG A 32 -3.105 -4.781 9.250 1.00 14.13 H new ATOM 0 HH22 ARG A 32 -3.946 -4.294 10.726 1.00 14.13 H new ATOM 506 N PRO A 33 -8.666 -3.944 4.727 1.00 41.50 N ATOM 507 CA PRO A 33 -9.852 -4.829 4.941 1.00 63.54 C ATOM 508 C PRO A 33 -10.066 -5.825 3.777 1.00 0.11 C ATOM 509 O PRO A 33 -10.422 -6.984 4.001 1.00 62.34 O ATOM 510 CB PRO A 33 -11.042 -3.829 5.057 1.00 25.45 C ATOM 511 CG PRO A 33 -10.414 -2.535 5.459 1.00 22.02 C ATOM 512 CD PRO A 33 -9.080 -2.508 4.748 1.00 51.31 C ATOM 0 HA PRO A 33 -9.736 -5.461 5.821 1.00 63.54 H new ATOM 0 HB2 PRO A 33 -11.573 -3.734 4.110 1.00 25.45 H new ATOM 0 HB3 PRO A 33 -11.769 -4.163 5.797 1.00 25.45 H new ATOM 0 HG2 PRO A 33 -11.034 -1.688 5.166 1.00 22.02 H new ATOM 0 HG3 PRO A 33 -10.286 -2.478 6.540 1.00 22.02 H new ATOM 0 HD2 PRO A 33 -9.170 -2.102 3.741 1.00 51.31 H new ATOM 0 HD3 PRO A 33 -8.356 -1.889 5.277 1.00 51.31 H new ATOM 520 N THR A 34 -9.798 -5.352 2.545 1.00 34.13 N ATOM 521 CA THR A 34 -9.909 -6.156 1.316 1.00 14.43 C ATOM 522 C THR A 34 -8.909 -7.338 1.335 1.00 2.52 C ATOM 523 O THR A 34 -9.289 -8.487 1.077 1.00 24.55 O ATOM 524 CB THR A 34 -9.677 -5.239 0.065 1.00 50.24 C ATOM 525 OG1 THR A 34 -10.613 -4.147 0.101 1.00 73.14 O ATOM 526 CG2 THR A 34 -9.832 -5.988 -1.272 1.00 41.42 C ATOM 0 H THR A 34 -9.496 -4.393 2.375 1.00 34.13 H new ATOM 0 HA THR A 34 -10.912 -6.580 1.259 1.00 14.43 H new ATOM 0 HB THR A 34 -8.648 -4.882 0.117 1.00 50.24 H new ATOM 0 HG1 THR A 34 -10.131 -3.308 0.259 1.00 73.14 H new ATOM 0 HG21 THR A 34 -9.659 -5.298 -2.098 1.00 41.42 H new ATOM 0 HG22 THR A 34 -9.107 -6.800 -1.320 1.00 41.42 H new ATOM 0 HG23 THR A 34 -10.840 -6.396 -1.345 1.00 41.42 H new ATOM 534 N VAL A 35 -7.644 -7.040 1.701 1.00 50.24 N ATOM 535 CA VAL A 35 -6.565 -8.051 1.757 1.00 51.35 C ATOM 536 C VAL A 35 -6.766 -8.986 2.977 1.00 42.33 C ATOM 537 O VAL A 35 -6.376 -10.148 2.938 1.00 62.02 O ATOM 538 CB VAL A 35 -5.129 -7.384 1.780 1.00 40.35 C ATOM 539 CG1 VAL A 35 -4.005 -8.438 1.585 1.00 62.14 C ATOM 540 CG2 VAL A 35 -5.011 -6.276 0.705 1.00 5.22 C ATOM 0 H VAL A 35 -7.343 -6.101 1.964 1.00 50.24 H new ATOM 0 HA VAL A 35 -6.622 -8.648 0.847 1.00 51.35 H new ATOM 0 HB VAL A 35 -5.003 -6.931 2.763 1.00 40.35 H new ATOM 0 HG11 VAL A 35 -3.034 -7.943 1.606 1.00 62.14 H new ATOM 0 HG12 VAL A 35 -4.054 -9.175 2.387 1.00 62.14 H new ATOM 0 HG13 VAL A 35 -4.137 -8.937 0.625 1.00 62.14 H new ATOM 0 HG21 VAL A 35 -4.015 -5.836 0.744 1.00 5.22 H new ATOM 0 HG22 VAL A 35 -5.179 -6.707 -0.282 1.00 5.22 H new ATOM 0 HG23 VAL A 35 -5.756 -5.504 0.895 1.00 5.22 H new ATOM 550 N GLN A 36 -7.418 -8.474 4.042 1.00 21.13 N ATOM 551 CA GLN A 36 -7.732 -9.264 5.255 1.00 2.54 C ATOM 552 C GLN A 36 -8.864 -10.279 4.989 1.00 43.43 C ATOM 553 O GLN A 36 -8.891 -11.350 5.598 1.00 73.45 O ATOM 554 CB GLN A 36 -8.063 -8.332 6.454 1.00 75.23 C ATOM 555 CG GLN A 36 -6.846 -7.530 6.980 1.00 12.32 C ATOM 556 CD GLN A 36 -7.167 -6.586 8.142 1.00 33.23 C ATOM 557 OE1 GLN A 36 -8.056 -6.849 8.950 1.00 41.03 O ATOM 558 NE2 GLN A 36 -6.432 -5.479 8.248 1.00 30.23 N ATOM 0 H GLN A 36 -7.741 -7.507 4.087 1.00 21.13 H new ATOM 0 HA GLN A 36 -6.845 -9.838 5.521 1.00 2.54 H new ATOM 0 HB2 GLN A 36 -8.844 -7.633 6.154 1.00 75.23 H new ATOM 0 HB3 GLN A 36 -8.469 -8.933 7.268 1.00 75.23 H new ATOM 0 HG2 GLN A 36 -6.075 -8.231 7.299 1.00 12.32 H new ATOM 0 HG3 GLN A 36 -6.428 -6.948 6.159 1.00 12.32 H new ATOM 0 HE21 GLN A 36 -5.701 -5.285 7.564 1.00 30.23 H new ATOM 0 HE22 GLN A 36 -6.601 -4.826 9.013 1.00 30.23 H new ATOM 567 N GLU A 37 -9.781 -9.936 4.059 1.00 55.32 N ATOM 568 CA GLU A 37 -10.811 -10.877 3.558 1.00 42.23 C ATOM 569 C GLU A 37 -10.184 -11.851 2.527 1.00 22.04 C ATOM 570 O GLU A 37 -10.667 -12.968 2.339 1.00 63.22 O ATOM 571 CB GLU A 37 -12.008 -10.098 2.940 1.00 53.00 C ATOM 572 CG GLU A 37 -12.759 -9.154 3.919 1.00 15.00 C ATOM 573 CD GLU A 37 -13.505 -9.882 5.059 1.00 44.34 C ATOM 574 OE1 GLU A 37 -12.865 -10.248 6.075 1.00 61.33 O ATOM 575 OE2 GLU A 37 -14.743 -10.075 4.957 1.00 25.21 O ATOM 0 H GLU A 37 -9.830 -9.009 3.637 1.00 55.32 H new ATOM 0 HA GLU A 37 -11.192 -11.463 4.394 1.00 42.23 H new ATOM 0 HB2 GLU A 37 -11.642 -9.507 2.100 1.00 53.00 H new ATOM 0 HB3 GLU A 37 -12.720 -10.818 2.537 1.00 53.00 H new ATOM 0 HG2 GLU A 37 -12.042 -8.458 4.356 1.00 15.00 H new ATOM 0 HG3 GLU A 37 -13.476 -8.559 3.353 1.00 15.00 H new ATOM 582 N ASP A 38 -9.096 -11.394 1.864 1.00 12.43 N ATOM 583 CA ASP A 38 -8.248 -12.245 0.986 1.00 13.23 C ATOM 584 C ASP A 38 -7.393 -13.222 1.832 1.00 11.25 C ATOM 585 O ASP A 38 -6.975 -14.280 1.344 1.00 0.55 O ATOM 586 CB ASP A 38 -7.345 -11.321 0.113 1.00 3.34 C ATOM 587 CG ASP A 38 -6.231 -12.041 -0.675 1.00 41.24 C ATOM 588 OD1 ASP A 38 -6.502 -12.523 -1.799 1.00 32.15 O ATOM 589 OD2 ASP A 38 -5.077 -12.114 -0.175 1.00 4.24 O ATOM 0 H ASP A 38 -8.779 -10.426 1.920 1.00 12.43 H new ATOM 0 HA ASP A 38 -8.881 -12.848 0.335 1.00 13.23 H new ATOM 0 HB2 ASP A 38 -7.978 -10.784 -0.593 1.00 3.34 H new ATOM 0 HB3 ASP A 38 -6.885 -10.574 0.760 1.00 3.34 H new ATOM 594 N GLY A 39 -7.173 -12.865 3.112 1.00 42.53 N ATOM 595 CA GLY A 39 -6.443 -13.714 4.067 1.00 2.01 C ATOM 596 C GLY A 39 -5.127 -13.089 4.534 1.00 20.44 C ATOM 597 O GLY A 39 -4.614 -13.431 5.611 1.00 5.50 O ATOM 0 H GLY A 39 -7.496 -11.983 3.510 1.00 42.53 H new ATOM 0 HA2 GLY A 39 -7.076 -13.905 4.933 1.00 2.01 H new ATOM 0 HA3 GLY A 39 -6.237 -14.679 3.604 1.00 2.01 H new ATOM 601 N GLY A 40 -4.562 -12.186 3.708 1.00 45.43 N ATOM 602 CA GLY A 40 -3.319 -11.474 4.038 1.00 4.13 C ATOM 603 C GLY A 40 -3.584 -10.147 4.730 1.00 73.31 C ATOM 604 O GLY A 40 -4.620 -9.984 5.374 1.00 5.34 O ATOM 0 H GLY A 40 -4.954 -11.934 2.801 1.00 45.43 H new ATOM 0 HA2 GLY A 40 -2.703 -12.101 4.682 1.00 4.13 H new ATOM 0 HA3 GLY A 40 -2.749 -11.299 3.125 1.00 4.13 H new ATOM 608 N ASP A 41 -2.640 -9.201 4.583 1.00 54.41 N ATOM 609 CA ASP A 41 -2.750 -7.831 5.130 1.00 24.41 C ATOM 610 C ASP A 41 -1.567 -6.984 4.619 1.00 35.33 C ATOM 611 O ASP A 41 -0.540 -7.528 4.193 1.00 34.22 O ATOM 612 CB ASP A 41 -2.785 -7.858 6.695 1.00 72.51 C ATOM 613 CG ASP A 41 -2.900 -6.476 7.373 1.00 44.22 C ATOM 614 OD1 ASP A 41 -3.719 -5.644 6.929 1.00 5.51 O ATOM 615 OD2 ASP A 41 -2.206 -6.240 8.380 1.00 53.12 O ATOM 0 H ASP A 41 -1.770 -9.364 4.077 1.00 54.41 H new ATOM 0 HA ASP A 41 -3.683 -7.382 4.790 1.00 24.41 H new ATOM 0 HB2 ASP A 41 -3.627 -8.472 7.013 1.00 72.51 H new ATOM 0 HB3 ASP A 41 -1.880 -8.347 7.054 1.00 72.51 H new ATOM 620 N VAL A 42 -1.734 -5.650 4.658 1.00 72.32 N ATOM 621 CA VAL A 42 -0.698 -4.671 4.291 1.00 14.50 C ATOM 622 C VAL A 42 -0.527 -3.702 5.482 1.00 71.34 C ATOM 623 O VAL A 42 -1.508 -3.167 5.994 1.00 2.35 O ATOM 624 CB VAL A 42 -1.043 -3.897 2.945 1.00 3.01 C ATOM 625 CG1 VAL A 42 -1.235 -4.886 1.771 1.00 4.34 C ATOM 626 CG2 VAL A 42 -2.289 -2.987 3.078 1.00 14.34 C ATOM 0 H VAL A 42 -2.609 -5.215 4.951 1.00 72.32 H new ATOM 0 HA VAL A 42 0.239 -5.190 4.090 1.00 14.50 H new ATOM 0 HB VAL A 42 -0.190 -3.252 2.737 1.00 3.01 H new ATOM 0 HG11 VAL A 42 -1.470 -4.331 0.863 1.00 4.34 H new ATOM 0 HG12 VAL A 42 -0.318 -5.456 1.621 1.00 4.34 H new ATOM 0 HG13 VAL A 42 -2.053 -5.569 2.001 1.00 4.34 H new ATOM 0 HG21 VAL A 42 -2.476 -2.485 2.129 1.00 14.34 H new ATOM 0 HG22 VAL A 42 -3.155 -3.593 3.345 1.00 14.34 H new ATOM 0 HG23 VAL A 42 -2.114 -2.242 3.854 1.00 14.34 H new ATOM 636 N ILE A 43 0.712 -3.541 5.974 1.00 72.11 N ATOM 637 CA ILE A 43 1.009 -2.646 7.116 1.00 41.42 C ATOM 638 C ILE A 43 1.936 -1.531 6.626 1.00 3.11 C ATOM 639 O ILE A 43 2.988 -1.819 6.046 1.00 24.22 O ATOM 640 CB ILE A 43 1.692 -3.387 8.351 1.00 45.31 C ATOM 641 CG1 ILE A 43 0.896 -4.662 8.808 1.00 31.34 C ATOM 642 CG2 ILE A 43 1.866 -2.408 9.549 1.00 53.43 C ATOM 643 CD1 ILE A 43 1.105 -5.901 7.956 1.00 13.44 C ATOM 0 H ILE A 43 1.531 -4.020 5.600 1.00 72.11 H new ATOM 0 HA ILE A 43 0.057 -2.257 7.477 1.00 41.42 H new ATOM 0 HB ILE A 43 2.672 -3.723 8.011 1.00 45.31 H new ATOM 0 HG12 ILE A 43 1.177 -4.896 9.835 1.00 31.34 H new ATOM 0 HG13 ILE A 43 -0.167 -4.422 8.816 1.00 31.34 H new ATOM 0 HG21 ILE A 43 2.334 -2.932 10.382 1.00 53.43 H new ATOM 0 HG22 ILE A 43 2.496 -1.572 9.247 1.00 53.43 H new ATOM 0 HG23 ILE A 43 0.890 -2.034 9.858 1.00 53.43 H new ATOM 0 HD11 ILE A 43 0.511 -6.723 8.357 1.00 13.44 H new ATOM 0 HD12 ILE A 43 0.794 -5.695 6.932 1.00 13.44 H new ATOM 0 HD13 ILE A 43 2.160 -6.176 7.967 1.00 13.44 H new ATOM 655 N TYR A 44 1.551 -0.269 6.860 1.00 32.15 N ATOM 656 CA TYR A 44 2.346 0.894 6.439 1.00 43.21 C ATOM 657 C TYR A 44 3.666 0.959 7.239 1.00 32.31 C ATOM 658 O TYR A 44 3.649 1.136 8.462 1.00 52.10 O ATOM 659 CB TYR A 44 1.533 2.201 6.595 1.00 23.55 C ATOM 660 CG TYR A 44 2.279 3.449 6.096 1.00 41.31 C ATOM 661 CD1 TYR A 44 2.367 3.739 4.731 1.00 1.52 C ATOM 662 CD2 TYR A 44 2.912 4.325 6.980 1.00 3.42 C ATOM 663 CE1 TYR A 44 3.036 4.855 4.283 1.00 71.42 C ATOM 664 CE2 TYR A 44 3.572 5.439 6.527 1.00 23.42 C ATOM 665 CZ TYR A 44 3.636 5.698 5.182 1.00 11.33 C ATOM 666 OH TYR A 44 4.280 6.820 4.733 1.00 14.32 O ATOM 0 H TYR A 44 0.686 -0.026 7.343 1.00 32.15 H new ATOM 0 HA TYR A 44 2.593 0.782 5.383 1.00 43.21 H new ATOM 0 HB2 TYR A 44 0.596 2.104 6.047 1.00 23.55 H new ATOM 0 HB3 TYR A 44 1.276 2.337 7.646 1.00 23.55 H new ATOM 0 HD1 TYR A 44 1.902 3.076 4.016 1.00 1.52 H new ATOM 0 HD2 TYR A 44 2.881 4.122 8.040 1.00 3.42 H new ATOM 0 HE1 TYR A 44 3.088 5.066 3.225 1.00 71.42 H new ATOM 0 HE2 TYR A 44 4.041 6.112 7.230 1.00 23.42 H new ATOM 0 HH TYR A 44 5.215 6.799 5.025 1.00 14.32 H new ATOM 676 N LYS A 45 4.798 0.779 6.535 1.00 42.43 N ATOM 677 CA LYS A 45 6.140 0.781 7.136 1.00 43.43 C ATOM 678 C LYS A 45 6.826 2.143 6.981 1.00 60.34 C ATOM 679 O LYS A 45 7.440 2.626 7.941 1.00 62.24 O ATOM 680 CB LYS A 45 7.014 -0.343 6.520 1.00 51.43 C ATOM 681 CG LYS A 45 6.581 -1.806 6.847 1.00 72.11 C ATOM 682 CD LYS A 45 6.767 -2.208 8.347 1.00 22.11 C ATOM 683 CE LYS A 45 5.556 -1.878 9.251 1.00 33.15 C ATOM 684 NZ LYS A 45 5.860 -2.039 10.695 1.00 23.14 N ATOM 0 H LYS A 45 4.805 0.627 5.526 1.00 42.43 H new ATOM 0 HA LYS A 45 6.024 0.590 8.203 1.00 43.43 H new ATOM 0 HB2 LYS A 45 7.018 -0.220 5.437 1.00 51.43 H new ATOM 0 HB3 LYS A 45 8.040 -0.205 6.860 1.00 51.43 H new ATOM 0 HG2 LYS A 45 5.533 -1.932 6.576 1.00 72.11 H new ATOM 0 HG3 LYS A 45 7.156 -2.491 6.225 1.00 72.11 H new ATOM 0 HD2 LYS A 45 6.965 -3.278 8.402 1.00 22.11 H new ATOM 0 HD3 LYS A 45 7.648 -1.700 8.740 1.00 22.11 H new ATOM 0 HE2 LYS A 45 5.236 -0.853 9.063 1.00 33.15 H new ATOM 0 HE3 LYS A 45 4.721 -2.527 8.985 1.00 33.15 H new ATOM 0 HZ1 LYS A 45 5.016 -1.806 11.256 1.00 23.14 H new ATOM 0 HZ2 LYS A 45 6.140 -3.023 10.883 1.00 23.14 H new ATOM 0 HZ3 LYS A 45 6.638 -1.401 10.959 1.00 23.14 H new ATOM 698 N GLY A 46 6.726 2.765 5.788 1.00 1.14 N ATOM 699 CA GLY A 46 7.430 4.029 5.539 1.00 24.13 C ATOM 700 C GLY A 46 7.096 4.688 4.210 1.00 32.04 C ATOM 701 O GLY A 46 6.233 4.215 3.467 1.00 61.33 O ATOM 0 H GLY A 46 6.177 2.419 5.002 1.00 1.14 H new ATOM 0 HA2 GLY A 46 7.195 4.725 6.344 1.00 24.13 H new ATOM 0 HA3 GLY A 46 8.504 3.846 5.579 1.00 24.13 H new ATOM 705 N PHE A 47 7.793 5.809 3.946 1.00 74.21 N ATOM 706 CA PHE A 47 7.703 6.584 2.695 1.00 41.24 C ATOM 707 C PHE A 47 9.010 7.372 2.542 1.00 41.21 C ATOM 708 O PHE A 47 9.272 8.295 3.330 1.00 34.05 O ATOM 709 CB PHE A 47 6.478 7.543 2.757 1.00 52.51 C ATOM 710 CG PHE A 47 6.182 8.367 1.497 1.00 71.14 C ATOM 711 CD1 PHE A 47 5.734 7.749 0.334 1.00 61.34 C ATOM 712 CD2 PHE A 47 6.307 9.762 1.486 1.00 21.24 C ATOM 713 CE1 PHE A 47 5.435 8.485 -0.796 1.00 41.11 C ATOM 714 CE2 PHE A 47 6.003 10.496 0.354 1.00 43.14 C ATOM 715 CZ PHE A 47 5.562 9.857 -0.784 1.00 21.43 C ATOM 0 H PHE A 47 8.451 6.211 4.614 1.00 74.21 H new ATOM 0 HA PHE A 47 7.565 5.926 1.837 1.00 41.24 H new ATOM 0 HB2 PHE A 47 5.594 6.950 2.991 1.00 52.51 H new ATOM 0 HB3 PHE A 47 6.628 8.233 3.587 1.00 52.51 H new ATOM 0 HD1 PHE A 47 5.618 6.675 0.314 1.00 61.34 H new ATOM 0 HD2 PHE A 47 6.646 10.272 2.375 1.00 21.24 H new ATOM 0 HE1 PHE A 47 5.101 7.983 -1.692 1.00 41.11 H new ATOM 0 HE2 PHE A 47 6.111 11.571 0.362 1.00 43.14 H new ATOM 0 HZ PHE A 47 5.316 10.431 -1.665 1.00 21.43 H new ATOM 725 N GLU A 48 9.840 6.999 1.551 1.00 12.13 N ATOM 726 CA GLU A 48 11.160 7.621 1.332 1.00 44.31 C ATOM 727 C GLU A 48 11.403 7.814 -0.169 1.00 13.40 C ATOM 728 O GLU A 48 11.319 6.846 -0.929 1.00 74.24 O ATOM 729 CB GLU A 48 12.304 6.757 1.935 1.00 4.32 C ATOM 730 CG GLU A 48 12.220 6.508 3.453 1.00 21.03 C ATOM 731 CD GLU A 48 13.438 5.744 4.009 1.00 71.34 C ATOM 732 OE1 GLU A 48 13.651 4.573 3.611 1.00 53.21 O ATOM 733 OE2 GLU A 48 14.201 6.309 4.832 1.00 32.20 O ATOM 0 H GLU A 48 9.617 6.262 0.882 1.00 12.13 H new ATOM 0 HA GLU A 48 11.161 8.588 1.835 1.00 44.31 H new ATOM 0 HB2 GLU A 48 12.314 5.793 1.427 1.00 4.32 H new ATOM 0 HB3 GLU A 48 13.255 7.242 1.716 1.00 4.32 H new ATOM 0 HG2 GLU A 48 12.133 7.465 3.968 1.00 21.03 H new ATOM 0 HG3 GLU A 48 11.314 5.944 3.673 1.00 21.03 H new ATOM 740 N ASP A 49 11.695 9.072 -0.569 1.00 43.52 N ATOM 741 CA ASP A 49 11.971 9.476 -1.973 1.00 3.12 C ATOM 742 C ASP A 49 10.796 9.124 -2.916 1.00 72.55 C ATOM 743 O ASP A 49 10.993 8.826 -4.100 1.00 71.15 O ATOM 744 CB ASP A 49 13.320 8.875 -2.479 1.00 62.40 C ATOM 745 CG ASP A 49 14.532 9.370 -1.667 1.00 21.12 C ATOM 746 OD1 ASP A 49 15.021 10.492 -1.929 1.00 15.24 O ATOM 747 OD2 ASP A 49 14.996 8.649 -0.759 1.00 22.55 O ATOM 0 H ASP A 49 11.747 9.853 0.085 1.00 43.52 H new ATOM 0 HA ASP A 49 12.070 10.561 -1.986 1.00 3.12 H new ATOM 0 HB2 ASP A 49 13.271 7.787 -2.425 1.00 62.40 H new ATOM 0 HB3 ASP A 49 13.459 9.137 -3.528 1.00 62.40 H new ATOM 752 N GLY A 50 9.572 9.192 -2.368 1.00 44.40 N ATOM 753 CA GLY A 50 8.346 8.929 -3.127 1.00 44.12 C ATOM 754 C GLY A 50 7.937 7.454 -3.156 1.00 62.33 C ATOM 755 O GLY A 50 6.937 7.100 -3.784 1.00 31.13 O ATOM 0 H GLY A 50 9.408 9.430 -1.390 1.00 44.40 H new ATOM 0 HA2 GLY A 50 7.532 9.513 -2.697 1.00 44.12 H new ATOM 0 HA3 GLY A 50 8.482 9.278 -4.151 1.00 44.12 H new ATOM 759 N ILE A 51 8.696 6.593 -2.463 1.00 2.20 N ATOM 760 CA ILE A 51 8.465 5.136 -2.451 1.00 11.32 C ATOM 761 C ILE A 51 7.755 4.724 -1.137 1.00 50.33 C ATOM 762 O ILE A 51 8.326 4.857 -0.046 1.00 22.41 O ATOM 763 CB ILE A 51 9.825 4.360 -2.624 1.00 70.12 C ATOM 764 CG1 ILE A 51 10.568 4.802 -3.936 1.00 22.11 C ATOM 765 CG2 ILE A 51 9.611 2.827 -2.599 1.00 24.53 C ATOM 766 CD1 ILE A 51 9.826 4.507 -5.233 1.00 31.35 C ATOM 0 H ILE A 51 9.490 6.885 -1.893 1.00 2.20 H new ATOM 0 HA ILE A 51 7.820 4.873 -3.289 1.00 11.32 H new ATOM 0 HB ILE A 51 10.458 4.619 -1.775 1.00 70.12 H new ATOM 0 HG12 ILE A 51 10.760 5.874 -3.882 1.00 22.11 H new ATOM 0 HG13 ILE A 51 11.538 4.305 -3.970 1.00 22.11 H new ATOM 0 HG21 ILE A 51 10.570 2.324 -2.721 1.00 24.53 H new ATOM 0 HG22 ILE A 51 9.168 2.537 -1.646 1.00 24.53 H new ATOM 0 HG23 ILE A 51 8.944 2.539 -3.412 1.00 24.53 H new ATOM 0 HD11 ILE A 51 10.422 4.850 -6.079 1.00 31.35 H new ATOM 0 HD12 ILE A 51 9.657 3.434 -5.319 1.00 31.35 H new ATOM 0 HD13 ILE A 51 8.868 5.026 -5.230 1.00 31.35 H new ATOM 778 N VAL A 52 6.503 4.243 -1.262 1.00 43.50 N ATOM 779 CA VAL A 52 5.675 3.801 -0.121 1.00 34.33 C ATOM 780 C VAL A 52 6.070 2.367 0.269 1.00 41.10 C ATOM 781 O VAL A 52 5.811 1.429 -0.477 1.00 44.45 O ATOM 782 CB VAL A 52 4.134 3.841 -0.466 1.00 3.12 C ATOM 783 CG1 VAL A 52 3.266 3.519 0.778 1.00 64.24 C ATOM 784 CG2 VAL A 52 3.725 5.197 -1.085 1.00 11.52 C ATOM 0 H VAL A 52 6.034 4.149 -2.163 1.00 43.50 H new ATOM 0 HA VAL A 52 5.853 4.485 0.708 1.00 34.33 H new ATOM 0 HB VAL A 52 3.952 3.067 -1.211 1.00 3.12 H new ATOM 0 HG11 VAL A 52 2.211 3.555 0.505 1.00 64.24 H new ATOM 0 HG12 VAL A 52 3.512 2.523 1.145 1.00 64.24 H new ATOM 0 HG13 VAL A 52 3.464 4.253 1.560 1.00 64.24 H new ATOM 0 HG21 VAL A 52 2.658 5.188 -1.309 1.00 11.52 H new ATOM 0 HG22 VAL A 52 3.940 5.999 -0.379 1.00 11.52 H new ATOM 0 HG23 VAL A 52 4.288 5.362 -2.004 1.00 11.52 H new ATOM 794 N GLN A 53 6.701 2.212 1.427 1.00 11.54 N ATOM 795 CA GLN A 53 7.151 0.912 1.931 1.00 45.33 C ATOM 796 C GLN A 53 6.009 0.228 2.708 1.00 53.34 C ATOM 797 O GLN A 53 5.499 0.798 3.683 1.00 44.13 O ATOM 798 CB GLN A 53 8.397 1.125 2.821 1.00 22.25 C ATOM 799 CG GLN A 53 9.656 1.551 2.039 1.00 21.01 C ATOM 800 CD GLN A 53 10.882 1.781 2.919 1.00 63.25 C ATOM 801 OE1 GLN A 53 11.029 1.182 3.985 1.00 11.24 O ATOM 802 NE2 GLN A 53 11.789 2.614 2.450 1.00 74.13 N ATOM 0 H GLN A 53 6.918 2.989 2.051 1.00 11.54 H new ATOM 0 HA GLN A 53 7.423 0.258 1.103 1.00 45.33 H new ATOM 0 HB2 GLN A 53 8.172 1.885 3.570 1.00 22.25 H new ATOM 0 HB3 GLN A 53 8.610 0.201 3.359 1.00 22.25 H new ATOM 0 HG2 GLN A 53 9.890 0.784 1.300 1.00 21.01 H new ATOM 0 HG3 GLN A 53 9.438 2.467 1.490 1.00 21.01 H new ATOM 0 HE21 GLN A 53 11.632 3.092 1.563 1.00 74.13 H new ATOM 0 HE22 GLN A 53 12.648 2.781 2.974 1.00 74.13 H new ATOM 811 N LEU A 54 5.602 -0.984 2.256 1.00 53.13 N ATOM 812 CA LEU A 54 4.456 -1.736 2.824 1.00 52.51 C ATOM 813 C LEU A 54 4.836 -3.189 3.133 1.00 52.12 C ATOM 814 O LEU A 54 5.473 -3.860 2.320 1.00 50.35 O ATOM 815 CB LEU A 54 3.258 -1.733 1.841 1.00 33.33 C ATOM 816 CG LEU A 54 2.669 -0.337 1.485 1.00 75.44 C ATOM 817 CD1 LEU A 54 1.489 -0.460 0.512 1.00 43.11 C ATOM 818 CD2 LEU A 54 2.261 0.434 2.755 1.00 32.22 C ATOM 0 H LEU A 54 6.061 -1.469 1.485 1.00 53.13 H new ATOM 0 HA LEU A 54 4.175 -1.237 3.751 1.00 52.51 H new ATOM 0 HB2 LEU A 54 3.571 -2.219 0.917 1.00 33.33 H new ATOM 0 HB3 LEU A 54 2.462 -2.343 2.268 1.00 33.33 H new ATOM 0 HG LEU A 54 3.452 0.233 0.985 1.00 75.44 H new ATOM 0 HD11 LEU A 54 1.101 0.533 0.284 1.00 43.11 H new ATOM 0 HD12 LEU A 54 1.824 -0.939 -0.408 1.00 43.11 H new ATOM 0 HD13 LEU A 54 0.702 -1.061 0.968 1.00 43.11 H new ATOM 0 HD21 LEU A 54 1.853 1.405 2.476 1.00 32.22 H new ATOM 0 HD22 LEU A 54 1.506 -0.134 3.299 1.00 32.22 H new ATOM 0 HD23 LEU A 54 3.135 0.577 3.390 1.00 32.22 H new ATOM 830 N LYS A 55 4.379 -3.670 4.293 1.00 5.32 N ATOM 831 CA LYS A 55 4.620 -5.033 4.768 1.00 22.52 C ATOM 832 C LYS A 55 3.481 -5.952 4.293 1.00 63.23 C ATOM 833 O LYS A 55 2.347 -5.814 4.762 1.00 1.42 O ATOM 834 CB LYS A 55 4.714 -5.013 6.317 1.00 21.21 C ATOM 835 CG LYS A 55 5.066 -6.356 6.981 1.00 74.31 C ATOM 836 CD LYS A 55 5.123 -6.243 8.526 1.00 52.34 C ATOM 837 CE LYS A 55 5.505 -7.570 9.190 1.00 24.44 C ATOM 838 NZ LYS A 55 5.486 -7.503 10.669 1.00 74.14 N ATOM 0 H LYS A 55 3.821 -3.112 4.939 1.00 5.32 H new ATOM 0 HA LYS A 55 5.556 -5.418 4.364 1.00 22.52 H new ATOM 0 HB2 LYS A 55 5.464 -4.277 6.608 1.00 21.21 H new ATOM 0 HB3 LYS A 55 3.759 -4.670 6.716 1.00 21.21 H new ATOM 0 HG2 LYS A 55 4.326 -7.105 6.699 1.00 74.31 H new ATOM 0 HG3 LYS A 55 6.029 -6.704 6.607 1.00 74.31 H new ATOM 0 HD2 LYS A 55 5.846 -5.477 8.806 1.00 52.34 H new ATOM 0 HD3 LYS A 55 4.153 -5.917 8.901 1.00 52.34 H new ATOM 0 HE2 LYS A 55 4.817 -8.347 8.858 1.00 24.44 H new ATOM 0 HE3 LYS A 55 6.501 -7.863 8.858 1.00 24.44 H new ATOM 0 HZ1 LYS A 55 5.752 -8.428 11.062 1.00 74.14 H new ATOM 0 HZ2 LYS A 55 6.162 -6.782 10.993 1.00 74.14 H new ATOM 0 HZ3 LYS A 55 4.530 -7.252 10.993 1.00 74.14 H new ATOM 852 N LEU A 56 3.783 -6.857 3.343 1.00 61.21 N ATOM 853 CA LEU A 56 2.786 -7.799 2.799 1.00 51.13 C ATOM 854 C LEU A 56 2.808 -9.101 3.632 1.00 63.40 C ATOM 855 O LEU A 56 3.884 -9.561 4.030 1.00 4.11 O ATOM 856 CB LEU A 56 3.066 -8.097 1.297 1.00 34.14 C ATOM 857 CG LEU A 56 3.186 -6.864 0.333 1.00 51.31 C ATOM 858 CD1 LEU A 56 3.250 -7.314 -1.143 1.00 73.31 C ATOM 859 CD2 LEU A 56 2.051 -5.840 0.545 1.00 61.21 C ATOM 0 H LEU A 56 4.713 -6.956 2.935 1.00 61.21 H new ATOM 0 HA LEU A 56 1.795 -7.349 2.864 1.00 51.13 H new ATOM 0 HB2 LEU A 56 3.992 -8.668 1.233 1.00 34.14 H new ATOM 0 HB3 LEU A 56 2.268 -8.740 0.925 1.00 34.14 H new ATOM 0 HG LEU A 56 4.121 -6.362 0.581 1.00 51.31 H new ATOM 0 HD11 LEU A 56 3.333 -6.439 -1.787 1.00 73.31 H new ATOM 0 HD12 LEU A 56 4.118 -7.956 -1.290 1.00 73.31 H new ATOM 0 HD13 LEU A 56 2.344 -7.865 -1.395 1.00 73.31 H new ATOM 0 HD21 LEU A 56 2.179 -5.006 -0.145 1.00 61.21 H new ATOM 0 HD22 LEU A 56 1.090 -6.319 0.361 1.00 61.21 H new ATOM 0 HD23 LEU A 56 2.081 -5.470 1.570 1.00 61.21 H new ATOM 871 N GLN A 57 1.621 -9.681 3.892 1.00 4.54 N ATOM 872 CA GLN A 57 1.472 -10.875 4.760 1.00 51.02 C ATOM 873 C GLN A 57 1.280 -12.172 3.944 1.00 41.31 C ATOM 874 O GLN A 57 0.987 -12.124 2.737 1.00 11.31 O ATOM 875 CB GLN A 57 0.298 -10.653 5.759 1.00 5.21 C ATOM 876 CG GLN A 57 0.589 -9.592 6.843 1.00 71.22 C ATOM 877 CD GLN A 57 1.636 -10.038 7.870 1.00 0.03 C ATOM 878 OE1 GLN A 57 1.722 -11.217 8.214 1.00 24.04 O ATOM 879 NE2 GLN A 57 2.452 -9.114 8.350 1.00 64.41 N ATOM 0 H GLN A 57 0.739 -9.340 3.510 1.00 4.54 H new ATOM 0 HA GLN A 57 2.397 -11.003 5.322 1.00 51.02 H new ATOM 0 HB2 GLN A 57 -0.589 -10.354 5.201 1.00 5.21 H new ATOM 0 HB3 GLN A 57 0.064 -11.600 6.245 1.00 5.21 H new ATOM 0 HG2 GLN A 57 0.931 -8.676 6.361 1.00 71.22 H new ATOM 0 HG3 GLN A 57 -0.338 -9.351 7.363 1.00 71.22 H new ATOM 0 HE21 GLN A 57 2.359 -8.144 8.048 1.00 64.41 H new ATOM 0 HE22 GLN A 57 3.175 -9.371 9.022 1.00 64.41 H new ATOM 888 N GLY A 58 1.440 -13.323 4.642 1.00 32.52 N ATOM 889 CA GLY A 58 1.418 -14.657 4.031 1.00 45.34 C ATOM 890 C GLY A 58 0.065 -15.054 3.432 1.00 63.43 C ATOM 891 O GLY A 58 -0.732 -15.738 4.086 1.00 11.33 O ATOM 0 H GLY A 58 1.588 -13.342 5.651 1.00 32.52 H new ATOM 0 HA2 GLY A 58 2.175 -14.697 3.248 1.00 45.34 H new ATOM 0 HA3 GLY A 58 1.699 -15.393 4.784 1.00 45.34 H new ATOM 895 N SER A 59 -0.160 -14.617 2.176 1.00 12.43 N ATOM 896 CA SER A 59 -1.374 -14.893 1.370 1.00 12.52 C ATOM 897 C SER A 59 -1.243 -14.135 0.046 1.00 54.11 C ATOM 898 O SER A 59 -1.285 -14.717 -1.044 1.00 40.45 O ATOM 899 CB SER A 59 -2.669 -14.463 2.103 1.00 34.14 C ATOM 900 OG SER A 59 -3.827 -14.641 1.309 1.00 33.43 O ATOM 0 H SER A 59 0.519 -14.043 1.676 1.00 12.43 H new ATOM 0 HA SER A 59 -1.450 -15.967 1.200 1.00 12.52 H new ATOM 0 HB2 SER A 59 -2.771 -15.040 3.022 1.00 34.14 H new ATOM 0 HB3 SER A 59 -2.588 -13.415 2.392 1.00 34.14 H new ATOM 0 HG SER A 59 -4.084 -13.784 0.908 1.00 33.43 H new ATOM 906 N CYS A 60 -1.033 -12.813 0.175 1.00 22.24 N ATOM 907 CA CYS A 60 -0.746 -11.917 -0.959 1.00 31.21 C ATOM 908 C CYS A 60 0.709 -12.101 -1.449 1.00 21.52 C ATOM 909 O CYS A 60 1.096 -11.571 -2.494 1.00 3.12 O ATOM 910 CB CYS A 60 -1.000 -10.459 -0.526 1.00 30.21 C ATOM 911 SG CYS A 60 -0.075 -9.952 0.949 1.00 41.53 S ATOM 0 H CYS A 60 -1.058 -12.333 1.075 1.00 22.24 H new ATOM 0 HA CYS A 60 -1.405 -12.165 -1.791 1.00 31.21 H new ATOM 0 HB2 CYS A 60 -0.739 -9.796 -1.351 1.00 30.21 H new ATOM 0 HB3 CYS A 60 -2.065 -10.328 -0.336 1.00 30.21 H new ATOM 0 HG CYS A 60 0.415 -11.003 1.536 1.00 41.53 H new ATOM 917 N THR A 61 1.502 -12.858 -0.666 1.00 71.21 N ATOM 918 CA THR A 61 2.909 -13.149 -0.954 1.00 65.02 C ATOM 919 C THR A 61 3.111 -14.543 -1.595 1.00 63.34 C ATOM 920 O THR A 61 4.241 -14.886 -1.957 1.00 15.34 O ATOM 921 CB THR A 61 3.743 -13.055 0.360 1.00 33.22 C ATOM 922 OG1 THR A 61 3.144 -13.880 1.370 1.00 14.02 O ATOM 923 CG2 THR A 61 3.847 -11.615 0.883 1.00 71.44 C ATOM 0 H THR A 61 1.172 -13.289 0.197 1.00 71.21 H new ATOM 0 HA THR A 61 3.250 -12.407 -1.676 1.00 65.02 H new ATOM 0 HB THR A 61 4.751 -13.400 0.130 1.00 33.22 H new ATOM 0 HG1 THR A 61 2.397 -13.399 1.785 1.00 14.02 H new ATOM 0 HG21 THR A 61 4.437 -11.602 1.799 1.00 71.44 H new ATOM 0 HG22 THR A 61 4.329 -10.989 0.132 1.00 71.44 H new ATOM 0 HG23 THR A 61 2.848 -11.230 1.089 1.00 71.44 H new ATOM 931 N SER A 62 2.015 -15.317 -1.770 1.00 63.04 N ATOM 932 CA SER A 62 2.077 -16.739 -2.208 1.00 31.30 C ATOM 933 C SER A 62 2.714 -16.922 -3.610 1.00 23.34 C ATOM 934 O SER A 62 3.201 -18.013 -3.934 1.00 61.54 O ATOM 935 CB SER A 62 0.669 -17.364 -2.156 1.00 44.15 C ATOM 936 OG SER A 62 0.110 -17.242 -0.856 1.00 4.11 O ATOM 0 H SER A 62 1.065 -14.980 -1.614 1.00 63.04 H new ATOM 0 HA SER A 62 2.734 -17.260 -1.512 1.00 31.30 H new ATOM 0 HB2 SER A 62 0.021 -16.873 -2.883 1.00 44.15 H new ATOM 0 HB3 SER A 62 0.723 -18.416 -2.436 1.00 44.15 H new ATOM 0 HG SER A 62 -0.474 -16.456 -0.823 1.00 4.11 H new ATOM 942 N CYS A 63 2.710 -15.854 -4.427 1.00 55.13 N ATOM 943 CA CYS A 63 3.401 -15.826 -5.731 1.00 54.41 C ATOM 944 C CYS A 63 3.929 -14.401 -5.999 1.00 41.41 C ATOM 945 O CYS A 63 3.304 -13.431 -5.550 1.00 72.42 O ATOM 946 CB CYS A 63 2.441 -16.292 -6.856 1.00 63.10 C ATOM 947 SG CYS A 63 0.909 -15.336 -6.975 1.00 30.11 S ATOM 0 H CYS A 63 2.227 -14.984 -4.203 1.00 55.13 H new ATOM 0 HA CYS A 63 4.248 -16.512 -5.713 1.00 54.41 H new ATOM 0 HB2 CYS A 63 2.965 -16.236 -7.810 1.00 63.10 H new ATOM 0 HB3 CYS A 63 2.189 -17.340 -6.691 1.00 63.10 H new ATOM 0 HG CYS A 63 0.180 -15.803 -7.945 1.00 30.11 H new ATOM 953 N PRO A 64 5.093 -14.236 -6.731 1.00 34.55 N ATOM 954 CA PRO A 64 5.646 -12.893 -7.057 1.00 54.20 C ATOM 955 C PRO A 64 4.665 -12.062 -7.918 1.00 21.44 C ATOM 956 O PRO A 64 4.672 -10.834 -7.862 1.00 51.12 O ATOM 957 CB PRO A 64 6.968 -13.205 -7.818 1.00 43.12 C ATOM 958 CG PRO A 64 6.800 -14.608 -8.329 1.00 34.20 C ATOM 959 CD PRO A 64 5.954 -15.324 -7.290 1.00 73.52 C ATOM 0 HA PRO A 64 5.814 -12.285 -6.168 1.00 54.20 H new ATOM 0 HB2 PRO A 64 7.127 -12.503 -8.637 1.00 43.12 H new ATOM 0 HB3 PRO A 64 7.832 -13.126 -7.158 1.00 43.12 H new ATOM 0 HG2 PRO A 64 6.312 -14.614 -9.304 1.00 34.20 H new ATOM 0 HG3 PRO A 64 7.766 -15.098 -8.453 1.00 34.20 H new ATOM 0 HD2 PRO A 64 5.357 -16.119 -7.737 1.00 73.52 H new ATOM 0 HD3 PRO A 64 6.571 -15.784 -6.518 1.00 73.52 H new ATOM 967 N SER A 65 3.817 -12.764 -8.694 1.00 64.32 N ATOM 968 CA SER A 65 2.744 -12.154 -9.493 1.00 13.40 C ATOM 969 C SER A 65 1.789 -11.319 -8.610 1.00 51.34 C ATOM 970 O SER A 65 1.603 -10.129 -8.858 1.00 64.34 O ATOM 971 CB SER A 65 1.962 -13.260 -10.242 1.00 15.03 C ATOM 972 OG SER A 65 2.828 -14.021 -11.065 1.00 0.21 O ATOM 0 H SER A 65 3.860 -13.779 -8.783 1.00 64.32 H new ATOM 0 HA SER A 65 3.196 -11.477 -10.218 1.00 13.40 H new ATOM 0 HB2 SER A 65 1.470 -13.914 -9.522 1.00 15.03 H new ATOM 0 HB3 SER A 65 1.179 -12.809 -10.851 1.00 15.03 H new ATOM 0 HG SER A 65 2.314 -14.715 -11.528 1.00 0.21 H new ATOM 978 N SER A 66 1.240 -11.951 -7.549 1.00 73.12 N ATOM 979 CA SER A 66 0.243 -11.319 -6.656 1.00 20.31 C ATOM 980 C SER A 66 0.857 -10.180 -5.824 1.00 53.52 C ATOM 981 O SER A 66 0.193 -9.177 -5.556 1.00 50.40 O ATOM 982 CB SER A 66 -0.378 -12.381 -5.731 1.00 11.01 C ATOM 983 OG SER A 66 0.616 -13.063 -4.975 1.00 30.54 O ATOM 0 H SER A 66 1.474 -12.909 -7.288 1.00 73.12 H new ATOM 0 HA SER A 66 -0.535 -10.881 -7.282 1.00 20.31 H new ATOM 0 HB2 SER A 66 -1.088 -11.905 -5.054 1.00 11.01 H new ATOM 0 HB3 SER A 66 -0.940 -13.100 -6.327 1.00 11.01 H new ATOM 0 HG SER A 66 0.712 -13.979 -5.311 1.00 30.54 H new ATOM 989 N ILE A 67 2.126 -10.367 -5.414 1.00 60.04 N ATOM 990 CA ILE A 67 2.911 -9.342 -4.692 1.00 1.12 C ATOM 991 C ILE A 67 2.933 -8.025 -5.480 1.00 43.55 C ATOM 992 O ILE A 67 2.554 -6.973 -4.963 1.00 34.34 O ATOM 993 CB ILE A 67 4.389 -9.849 -4.450 1.00 53.55 C ATOM 994 CG1 ILE A 67 4.391 -11.071 -3.484 1.00 64.22 C ATOM 995 CG2 ILE A 67 5.322 -8.723 -3.936 1.00 71.13 C ATOM 996 CD1 ILE A 67 5.751 -11.706 -3.220 1.00 51.35 C ATOM 0 H ILE A 67 2.639 -11.234 -5.573 1.00 60.04 H new ATOM 0 HA ILE A 67 2.435 -9.165 -3.727 1.00 1.12 H new ATOM 0 HB ILE A 67 4.789 -10.166 -5.413 1.00 53.55 H new ATOM 0 HG12 ILE A 67 3.967 -10.757 -2.530 1.00 64.22 H new ATOM 0 HG13 ILE A 67 3.728 -11.834 -3.892 1.00 64.22 H new ATOM 0 HG21 ILE A 67 6.325 -9.122 -3.785 1.00 71.13 H new ATOM 0 HG22 ILE A 67 5.358 -7.917 -4.669 1.00 71.13 H new ATOM 0 HG23 ILE A 67 4.940 -8.337 -2.991 1.00 71.13 H new ATOM 0 HD11 ILE A 67 5.634 -12.546 -2.535 1.00 51.35 H new ATOM 0 HD12 ILE A 67 6.176 -12.060 -4.159 1.00 51.35 H new ATOM 0 HD13 ILE A 67 6.418 -10.967 -2.776 1.00 51.35 H new ATOM 1008 N ILE A 68 3.348 -8.131 -6.748 1.00 72.45 N ATOM 1009 CA ILE A 68 3.522 -6.981 -7.640 1.00 74.41 C ATOM 1010 C ILE A 68 2.156 -6.374 -8.032 1.00 13.40 C ATOM 1011 O ILE A 68 2.020 -5.158 -8.037 1.00 10.02 O ATOM 1012 CB ILE A 68 4.355 -7.388 -8.915 1.00 24.21 C ATOM 1013 CG1 ILE A 68 5.760 -7.947 -8.502 1.00 14.54 C ATOM 1014 CG2 ILE A 68 4.515 -6.206 -9.908 1.00 1.51 C ATOM 1015 CD1 ILE A 68 6.563 -8.574 -9.640 1.00 4.32 C ATOM 0 H ILE A 68 3.574 -9.024 -7.186 1.00 72.45 H new ATOM 0 HA ILE A 68 4.082 -6.214 -7.104 1.00 74.41 H new ATOM 0 HB ILE A 68 3.798 -8.173 -9.427 1.00 24.21 H new ATOM 0 HG12 ILE A 68 6.345 -7.135 -8.069 1.00 14.54 H new ATOM 0 HG13 ILE A 68 5.622 -8.694 -7.720 1.00 14.54 H new ATOM 0 HG21 ILE A 68 5.095 -6.532 -10.771 1.00 1.51 H new ATOM 0 HG22 ILE A 68 3.531 -5.872 -10.237 1.00 1.51 H new ATOM 0 HG23 ILE A 68 5.031 -5.383 -9.414 1.00 1.51 H new ATOM 0 HD11 ILE A 68 7.519 -8.931 -9.257 1.00 4.32 H new ATOM 0 HD12 ILE A 68 6.005 -9.410 -10.061 1.00 4.32 H new ATOM 0 HD13 ILE A 68 6.739 -7.828 -10.415 1.00 4.32 H new ATOM 1027 N THR A 69 1.150 -7.228 -8.314 1.00 73.11 N ATOM 1028 CA THR A 69 -0.200 -6.783 -8.747 1.00 4.13 C ATOM 1029 C THR A 69 -0.911 -5.972 -7.642 1.00 50.44 C ATOM 1030 O THR A 69 -1.496 -4.915 -7.922 1.00 10.05 O ATOM 1031 CB THR A 69 -1.094 -7.998 -9.177 1.00 2.53 C ATOM 1032 OG1 THR A 69 -0.414 -8.775 -10.171 1.00 74.40 O ATOM 1033 CG2 THR A 69 -2.459 -7.563 -9.748 1.00 4.54 C ATOM 0 H THR A 69 1.245 -8.242 -8.250 1.00 73.11 H new ATOM 0 HA THR A 69 -0.056 -6.135 -9.612 1.00 4.13 H new ATOM 0 HB THR A 69 -1.276 -8.585 -8.277 1.00 2.53 H new ATOM 0 HG1 THR A 69 0.242 -9.359 -9.737 1.00 74.40 H new ATOM 0 HG21 THR A 69 -3.034 -8.446 -10.028 1.00 4.54 H new ATOM 0 HG22 THR A 69 -3.006 -6.998 -8.993 1.00 4.54 H new ATOM 0 HG23 THR A 69 -2.303 -6.937 -10.627 1.00 4.54 H new ATOM 1041 N LEU A 70 -0.842 -6.475 -6.393 1.00 43.24 N ATOM 1042 CA LEU A 70 -1.364 -5.766 -5.205 1.00 43.42 C ATOM 1043 C LEU A 70 -0.642 -4.416 -5.043 1.00 72.51 C ATOM 1044 O LEU A 70 -1.280 -3.373 -4.941 1.00 35.31 O ATOM 1045 CB LEU A 70 -1.186 -6.641 -3.930 1.00 73.13 C ATOM 1046 CG LEU A 70 -1.606 -5.985 -2.569 1.00 0.44 C ATOM 1047 CD1 LEU A 70 -3.102 -5.602 -2.545 1.00 34.34 C ATOM 1048 CD2 LEU A 70 -1.244 -6.891 -1.369 1.00 32.42 C ATOM 0 H LEU A 70 -0.425 -7.381 -6.179 1.00 43.24 H new ATOM 0 HA LEU A 70 -2.429 -5.579 -5.343 1.00 43.42 H new ATOM 0 HB2 LEU A 70 -1.764 -7.556 -4.061 1.00 73.13 H new ATOM 0 HB3 LEU A 70 -0.138 -6.933 -3.860 1.00 73.13 H new ATOM 0 HG LEU A 70 -1.036 -5.061 -2.476 1.00 0.44 H new ATOM 0 HD11 LEU A 70 -3.347 -5.151 -1.583 1.00 34.34 H new ATOM 0 HD12 LEU A 70 -3.308 -4.888 -3.343 1.00 34.34 H new ATOM 0 HD13 LEU A 70 -3.709 -6.496 -2.692 1.00 34.34 H new ATOM 0 HD21 LEU A 70 -1.549 -6.406 -0.442 1.00 32.42 H new ATOM 0 HD22 LEU A 70 -1.760 -7.846 -1.466 1.00 32.42 H new ATOM 0 HD23 LEU A 70 -0.167 -7.060 -1.353 1.00 32.42 H new ATOM 1060 N LYS A 71 0.696 -4.481 -5.082 1.00 65.12 N ATOM 1061 CA LYS A 71 1.599 -3.318 -4.951 1.00 42.41 C ATOM 1062 C LYS A 71 1.314 -2.235 -6.029 1.00 45.33 C ATOM 1063 O LYS A 71 1.418 -1.033 -5.756 1.00 31.20 O ATOM 1064 CB LYS A 71 3.064 -3.867 -5.006 1.00 11.32 C ATOM 1065 CG LYS A 71 4.230 -2.846 -4.951 1.00 74.24 C ATOM 1066 CD LYS A 71 4.669 -2.302 -6.340 1.00 75.22 C ATOM 1067 CE LYS A 71 5.233 -3.391 -7.273 1.00 63.32 C ATOM 1068 NZ LYS A 71 5.669 -2.827 -8.570 1.00 63.42 N ATOM 0 H LYS A 71 1.196 -5.361 -5.208 1.00 65.12 H new ATOM 0 HA LYS A 71 1.435 -2.807 -4.003 1.00 42.41 H new ATOM 0 HB2 LYS A 71 3.191 -4.563 -4.176 1.00 11.32 H new ATOM 0 HB3 LYS A 71 3.169 -4.444 -5.925 1.00 11.32 H new ATOM 0 HG2 LYS A 71 3.933 -2.007 -4.322 1.00 74.24 H new ATOM 0 HG3 LYS A 71 5.088 -3.317 -4.470 1.00 74.24 H new ATOM 0 HD2 LYS A 71 3.815 -1.827 -6.823 1.00 75.22 H new ATOM 0 HD3 LYS A 71 5.424 -1.529 -6.197 1.00 75.22 H new ATOM 0 HE2 LYS A 71 6.076 -3.885 -6.789 1.00 63.32 H new ATOM 0 HE3 LYS A 71 4.473 -4.153 -7.444 1.00 63.32 H new ATOM 0 HZ1 LYS A 71 6.237 -3.532 -9.082 1.00 63.42 H new ATOM 0 HZ2 LYS A 71 4.834 -2.577 -9.138 1.00 63.42 H new ATOM 0 HZ3 LYS A 71 6.242 -1.975 -8.403 1.00 63.42 H new ATOM 1082 N ASN A 72 0.928 -2.682 -7.242 1.00 71.04 N ATOM 1083 CA ASN A 72 0.621 -1.786 -8.382 1.00 2.34 C ATOM 1084 C ASN A 72 -0.746 -1.113 -8.215 1.00 63.00 C ATOM 1085 O ASN A 72 -0.883 0.084 -8.485 1.00 31.25 O ATOM 1086 CB ASN A 72 0.677 -2.548 -9.736 1.00 12.31 C ATOM 1087 CG ASN A 72 2.091 -2.963 -10.154 1.00 62.11 C ATOM 1088 OD1 ASN A 72 3.081 -2.351 -9.760 1.00 11.55 O ATOM 1089 ND2 ASN A 72 2.194 -4.000 -10.975 1.00 31.43 N ATOM 0 H ASN A 72 0.820 -3.672 -7.461 1.00 71.04 H new ATOM 0 HA ASN A 72 1.388 -1.011 -8.391 1.00 2.34 H new ATOM 0 HB2 ASN A 72 0.052 -3.439 -9.667 1.00 12.31 H new ATOM 0 HB3 ASN A 72 0.248 -1.918 -10.515 1.00 12.31 H new ATOM 0 HD21 ASN A 72 3.112 -4.308 -11.295 1.00 31.43 H new ATOM 0 HD22 ASN A 72 1.355 -4.490 -11.286 1.00 31.43 H new ATOM 1096 N GLY A 73 -1.748 -1.890 -7.759 1.00 43.31 N ATOM 1097 CA GLY A 73 -3.102 -1.369 -7.518 1.00 33.20 C ATOM 1098 C GLY A 73 -3.115 -0.309 -6.421 1.00 43.33 C ATOM 1099 O GLY A 73 -3.784 0.730 -6.538 1.00 33.20 O ATOM 0 H GLY A 73 -1.641 -2.883 -7.551 1.00 43.31 H new ATOM 0 HA2 GLY A 73 -3.497 -0.942 -8.440 1.00 33.20 H new ATOM 0 HA3 GLY A 73 -3.763 -2.190 -7.238 1.00 33.20 H new ATOM 1103 N ILE A 74 -2.327 -0.581 -5.367 1.00 70.33 N ATOM 1104 CA ILE A 74 -2.076 0.358 -4.268 1.00 75.24 C ATOM 1105 C ILE A 74 -1.398 1.639 -4.795 1.00 15.30 C ATOM 1106 O ILE A 74 -1.803 2.745 -4.430 1.00 73.32 O ATOM 1107 CB ILE A 74 -1.170 -0.307 -3.159 1.00 74.32 C ATOM 1108 CG1 ILE A 74 -1.903 -1.512 -2.478 1.00 32.21 C ATOM 1109 CG2 ILE A 74 -0.706 0.726 -2.105 1.00 42.34 C ATOM 1110 CD1 ILE A 74 -1.053 -2.310 -1.493 1.00 71.24 C ATOM 0 H ILE A 74 -1.842 -1.471 -5.256 1.00 70.33 H new ATOM 0 HA ILE A 74 -3.037 0.621 -3.825 1.00 75.24 H new ATOM 0 HB ILE A 74 -0.279 -0.691 -3.656 1.00 74.32 H new ATOM 0 HG12 ILE A 74 -2.781 -1.135 -1.954 1.00 32.21 H new ATOM 0 HG13 ILE A 74 -2.261 -2.187 -3.256 1.00 32.21 H new ATOM 0 HG21 ILE A 74 -0.085 0.231 -1.359 1.00 42.34 H new ATOM 0 HG22 ILE A 74 -0.129 1.511 -2.594 1.00 42.34 H new ATOM 0 HG23 ILE A 74 -1.577 1.166 -1.618 1.00 42.34 H new ATOM 0 HD11 ILE A 74 -1.647 -3.122 -1.074 1.00 71.24 H new ATOM 0 HD12 ILE A 74 -0.188 -2.723 -2.011 1.00 71.24 H new ATOM 0 HD13 ILE A 74 -0.716 -1.655 -0.689 1.00 71.24 H new ATOM 1122 N GLN A 75 -0.379 1.465 -5.663 1.00 73.33 N ATOM 1123 CA GLN A 75 0.398 2.587 -6.224 1.00 74.21 C ATOM 1124 C GLN A 75 -0.505 3.541 -7.026 1.00 22.32 C ATOM 1125 O GLN A 75 -0.449 4.749 -6.830 1.00 10.22 O ATOM 1126 CB GLN A 75 1.555 2.069 -7.118 1.00 62.35 C ATOM 1127 CG GLN A 75 2.571 3.157 -7.532 1.00 42.42 C ATOM 1128 CD GLN A 75 3.617 2.707 -8.560 1.00 62.34 C ATOM 1129 OE1 GLN A 75 4.101 3.511 -9.357 1.00 12.51 O ATOM 1130 NE2 GLN A 75 3.987 1.434 -8.554 1.00 34.53 N ATOM 0 H GLN A 75 -0.074 0.549 -5.992 1.00 73.33 H new ATOM 0 HA GLN A 75 0.826 3.140 -5.388 1.00 74.21 H new ATOM 0 HB2 GLN A 75 2.083 1.278 -6.587 1.00 62.35 H new ATOM 0 HB3 GLN A 75 1.132 1.622 -8.017 1.00 62.35 H new ATOM 0 HG2 GLN A 75 2.025 4.007 -7.940 1.00 42.42 H new ATOM 0 HG3 GLN A 75 3.088 3.509 -6.639 1.00 42.42 H new ATOM 0 HE21 GLN A 75 3.573 0.786 -7.885 1.00 34.53 H new ATOM 0 HE22 GLN A 75 4.686 1.103 -9.219 1.00 34.53 H new ATOM 1139 N ASN A 76 -1.346 2.967 -7.906 1.00 41.12 N ATOM 1140 CA ASN A 76 -2.292 3.733 -8.759 1.00 22.44 C ATOM 1141 C ASN A 76 -3.310 4.509 -7.904 1.00 21.20 C ATOM 1142 O ASN A 76 -3.653 5.659 -8.226 1.00 72.11 O ATOM 1143 CB ASN A 76 -3.039 2.780 -9.745 1.00 3.53 C ATOM 1144 CG ASN A 76 -2.182 2.241 -10.906 1.00 42.02 C ATOM 1145 OD1 ASN A 76 -2.697 1.995 -11.999 1.00 73.55 O ATOM 1146 ND2 ASN A 76 -0.895 2.008 -10.686 1.00 35.04 N ATOM 0 H ASN A 76 -1.394 1.958 -8.051 1.00 41.12 H new ATOM 0 HA ASN A 76 -1.710 4.452 -9.335 1.00 22.44 H new ATOM 0 HB2 ASN A 76 -3.432 1.934 -9.181 1.00 3.53 H new ATOM 0 HB3 ASN A 76 -3.895 3.311 -10.161 1.00 3.53 H new ATOM 0 HD21 ASN A 76 -0.313 1.619 -11.428 1.00 35.04 H new ATOM 0 HD22 ASN A 76 -0.487 2.218 -9.775 1.00 35.04 H new ATOM 1153 N MET A 77 -3.780 3.864 -6.814 1.00 53.12 N ATOM 1154 CA MET A 77 -4.711 4.483 -5.851 1.00 62.42 C ATOM 1155 C MET A 77 -4.061 5.722 -5.203 1.00 62.04 C ATOM 1156 O MET A 77 -4.585 6.830 -5.297 1.00 33.45 O ATOM 1157 CB MET A 77 -5.105 3.454 -4.759 1.00 60.24 C ATOM 1158 CG MET A 77 -6.184 3.937 -3.774 1.00 35.23 C ATOM 1159 SD MET A 77 -6.337 2.872 -2.323 1.00 71.22 S ATOM 1160 CE MET A 77 -4.792 3.202 -1.471 1.00 21.43 C ATOM 0 H MET A 77 -3.525 2.905 -6.580 1.00 53.12 H new ATOM 0 HA MET A 77 -5.610 4.797 -6.382 1.00 62.42 H new ATOM 0 HB2 MET A 77 -5.459 2.546 -5.247 1.00 60.24 H new ATOM 0 HB3 MET A 77 -4.212 3.185 -4.194 1.00 60.24 H new ATOM 0 HG2 MET A 77 -5.947 4.951 -3.451 1.00 35.23 H new ATOM 0 HG3 MET A 77 -7.144 3.983 -4.288 1.00 35.23 H new ATOM 0 HE1 MET A 77 -4.891 2.931 -0.420 1.00 21.43 H new ATOM 0 HE2 MET A 77 -3.994 2.614 -1.924 1.00 21.43 H new ATOM 0 HE3 MET A 77 -4.552 4.262 -1.551 1.00 21.43 H new ATOM 1170 N LEU A 78 -2.881 5.506 -4.595 1.00 71.10 N ATOM 1171 CA LEU A 78 -2.138 6.544 -3.862 1.00 54.24 C ATOM 1172 C LEU A 78 -1.679 7.686 -4.792 1.00 64.21 C ATOM 1173 O LEU A 78 -1.630 8.822 -4.355 1.00 70.44 O ATOM 1174 CB LEU A 78 -0.924 5.913 -3.131 1.00 25.44 C ATOM 1175 CG LEU A 78 -1.252 4.907 -1.983 1.00 22.31 C ATOM 1176 CD1 LEU A 78 0.028 4.255 -1.426 1.00 62.41 C ATOM 1177 CD2 LEU A 78 -2.063 5.584 -0.851 1.00 55.35 C ATOM 0 H LEU A 78 -2.414 4.599 -4.599 1.00 71.10 H new ATOM 0 HA LEU A 78 -2.812 6.979 -3.124 1.00 54.24 H new ATOM 0 HB2 LEU A 78 -0.309 5.399 -3.870 1.00 25.44 H new ATOM 0 HB3 LEU A 78 -0.318 6.719 -2.717 1.00 25.44 H new ATOM 0 HG LEU A 78 -1.871 4.119 -2.411 1.00 22.31 H new ATOM 0 HD11 LEU A 78 -0.235 3.560 -0.628 1.00 62.41 H new ATOM 0 HD12 LEU A 78 0.538 3.715 -2.224 1.00 62.41 H new ATOM 0 HD13 LEU A 78 0.688 5.028 -1.031 1.00 62.41 H new ATOM 0 HD21 LEU A 78 -2.274 4.855 -0.069 1.00 55.35 H new ATOM 0 HD22 LEU A 78 -1.486 6.408 -0.433 1.00 55.35 H new ATOM 0 HD23 LEU A 78 -3.001 5.966 -1.254 1.00 55.35 H new ATOM 1189 N GLN A 79 -1.369 7.369 -6.070 1.00 70.12 N ATOM 1190 CA GLN A 79 -0.960 8.383 -7.077 1.00 63.11 C ATOM 1191 C GLN A 79 -2.132 9.313 -7.445 1.00 62.20 C ATOM 1192 O GLN A 79 -1.918 10.493 -7.758 1.00 14.41 O ATOM 1193 CB GLN A 79 -0.390 7.727 -8.368 1.00 41.01 C ATOM 1194 CG GLN A 79 1.055 7.199 -8.251 1.00 74.54 C ATOM 1195 CD GLN A 79 1.695 6.859 -9.602 1.00 33.24 C ATOM 1196 OE1 GLN A 79 1.358 7.451 -10.634 1.00 44.13 O ATOM 1197 NE2 GLN A 79 2.648 5.940 -9.613 1.00 73.51 N ATOM 0 H GLN A 79 -1.394 6.416 -6.432 1.00 70.12 H new ATOM 0 HA GLN A 79 -0.169 8.974 -6.615 1.00 63.11 H new ATOM 0 HB2 GLN A 79 -1.040 6.900 -8.654 1.00 41.01 H new ATOM 0 HB3 GLN A 79 -0.429 8.458 -9.176 1.00 41.01 H new ATOM 0 HG2 GLN A 79 1.667 7.947 -7.747 1.00 74.54 H new ATOM 0 HG3 GLN A 79 1.058 6.308 -7.623 1.00 74.54 H new ATOM 0 HE21 GLN A 79 2.909 5.465 -8.749 1.00 73.51 H new ATOM 0 HE22 GLN A 79 3.122 5.707 -10.486 1.00 73.51 H new ATOM 1206 N PHE A 80 -3.359 8.764 -7.417 1.00 12.24 N ATOM 1207 CA PHE A 80 -4.586 9.526 -7.727 1.00 55.13 C ATOM 1208 C PHE A 80 -4.815 10.638 -6.683 1.00 65.41 C ATOM 1209 O PHE A 80 -5.109 11.790 -7.032 1.00 63.34 O ATOM 1210 CB PHE A 80 -5.805 8.560 -7.787 1.00 63.35 C ATOM 1211 CG PHE A 80 -7.156 9.249 -8.024 1.00 13.43 C ATOM 1212 CD1 PHE A 80 -7.472 9.792 -9.274 1.00 11.52 C ATOM 1213 CD2 PHE A 80 -8.104 9.364 -6.998 1.00 33.54 C ATOM 1214 CE1 PHE A 80 -8.686 10.416 -9.489 1.00 53.33 C ATOM 1215 CE2 PHE A 80 -9.315 9.988 -7.218 1.00 60.23 C ATOM 1216 CZ PHE A 80 -9.606 10.519 -8.461 1.00 73.41 C ATOM 0 H PHE A 80 -3.530 7.787 -7.181 1.00 12.24 H new ATOM 0 HA PHE A 80 -4.470 10.003 -8.700 1.00 55.13 H new ATOM 0 HB2 PHE A 80 -5.638 7.834 -8.583 1.00 63.35 H new ATOM 0 HB3 PHE A 80 -5.856 8.002 -6.852 1.00 63.35 H new ATOM 0 HD1 PHE A 80 -6.758 9.723 -10.081 1.00 11.52 H new ATOM 0 HD2 PHE A 80 -7.884 8.959 -6.022 1.00 33.54 H new ATOM 0 HE1 PHE A 80 -8.917 10.824 -10.462 1.00 53.33 H new ATOM 0 HE2 PHE A 80 -10.037 10.062 -6.418 1.00 60.23 H new ATOM 0 HZ PHE A 80 -10.551 11.014 -8.629 1.00 73.41 H new ATOM 1226 N TYR A 81 -4.666 10.273 -5.401 1.00 0.23 N ATOM 1227 CA TYR A 81 -4.881 11.194 -4.268 1.00 71.44 C ATOM 1228 C TYR A 81 -3.624 12.046 -3.991 1.00 25.42 C ATOM 1229 O TYR A 81 -3.730 13.161 -3.478 1.00 43.40 O ATOM 1230 CB TYR A 81 -5.253 10.395 -2.991 1.00 53.21 C ATOM 1231 CG TYR A 81 -6.528 9.543 -3.110 1.00 0.30 C ATOM 1232 CD1 TYR A 81 -7.795 10.115 -3.002 1.00 61.32 C ATOM 1233 CD2 TYR A 81 -6.460 8.166 -3.334 1.00 34.35 C ATOM 1234 CE1 TYR A 81 -8.939 9.347 -3.099 1.00 30.44 C ATOM 1235 CE2 TYR A 81 -7.597 7.398 -3.432 1.00 21.30 C ATOM 1236 CZ TYR A 81 -8.835 7.989 -3.323 1.00 3.11 C ATOM 1237 OH TYR A 81 -9.971 7.216 -3.427 1.00 63.04 O ATOM 0 H TYR A 81 -4.393 9.332 -5.117 1.00 0.23 H new ATOM 0 HA TYR A 81 -5.700 11.862 -4.535 1.00 71.44 H new ATOM 0 HB2 TYR A 81 -4.420 9.742 -2.733 1.00 53.21 H new ATOM 0 HB3 TYR A 81 -5.377 11.095 -2.165 1.00 53.21 H new ATOM 0 HD1 TYR A 81 -7.884 11.179 -2.839 1.00 61.32 H new ATOM 0 HD2 TYR A 81 -5.494 7.694 -3.432 1.00 34.35 H new ATOM 0 HE1 TYR A 81 -9.911 9.807 -3.000 1.00 30.44 H new ATOM 0 HE2 TYR A 81 -7.518 6.333 -3.594 1.00 21.30 H new ATOM 0 HH TYR A 81 -9.795 6.453 -4.016 1.00 63.04 H new ATOM 1247 N ILE A 82 -2.432 11.502 -4.331 1.00 3.25 N ATOM 1248 CA ILE A 82 -1.120 12.057 -3.914 1.00 52.52 C ATOM 1249 C ILE A 82 -0.094 11.925 -5.073 1.00 51.53 C ATOM 1250 O ILE A 82 0.307 10.803 -5.404 1.00 40.04 O ATOM 1251 CB ILE A 82 -0.562 11.288 -2.644 1.00 54.10 C ATOM 1252 CG1 ILE A 82 -1.551 11.373 -1.441 1.00 23.43 C ATOM 1253 CG2 ILE A 82 0.843 11.786 -2.240 1.00 14.01 C ATOM 1254 CD1 ILE A 82 -1.175 10.509 -0.261 1.00 42.23 C ATOM 0 H ILE A 82 -2.352 10.662 -4.905 1.00 3.25 H new ATOM 0 HA ILE A 82 -1.263 13.108 -3.662 1.00 52.52 H new ATOM 0 HB ILE A 82 -0.469 10.239 -2.927 1.00 54.10 H new ATOM 0 HG12 ILE A 82 -1.614 12.410 -1.111 1.00 23.43 H new ATOM 0 HG13 ILE A 82 -2.545 11.086 -1.783 1.00 23.43 H new ATOM 0 HG21 ILE A 82 1.188 11.233 -1.366 1.00 14.01 H new ATOM 0 HG22 ILE A 82 1.536 11.628 -3.066 1.00 14.01 H new ATOM 0 HG23 ILE A 82 0.798 12.849 -2.002 1.00 14.01 H new ATOM 0 HD11 ILE A 82 -1.916 10.629 0.529 1.00 42.23 H new ATOM 0 HD12 ILE A 82 -1.141 9.465 -0.571 1.00 42.23 H new ATOM 0 HD13 ILE A 82 -0.196 10.809 0.112 1.00 42.23 H new ATOM 1266 N PRO A 83 0.365 13.058 -5.697 1.00 71.43 N ATOM 1267 CA PRO A 83 1.389 13.013 -6.777 1.00 60.43 C ATOM 1268 C PRO A 83 2.815 12.723 -6.240 1.00 33.41 C ATOM 1269 O PRO A 83 3.733 12.443 -7.024 1.00 52.14 O ATOM 1270 CB PRO A 83 1.288 14.426 -7.405 1.00 64.13 C ATOM 1271 CG PRO A 83 0.845 15.312 -6.276 1.00 42.04 C ATOM 1272 CD PRO A 83 -0.081 14.455 -5.424 1.00 24.13 C ATOM 0 HA PRO A 83 1.211 12.207 -7.489 1.00 60.43 H new ATOM 0 HB2 PRO A 83 2.247 14.749 -7.810 1.00 64.13 H new ATOM 0 HB3 PRO A 83 0.573 14.444 -8.227 1.00 64.13 H new ATOM 0 HG2 PRO A 83 1.698 15.664 -5.696 1.00 42.04 H new ATOM 0 HG3 PRO A 83 0.328 16.195 -6.650 1.00 42.04 H new ATOM 0 HD2 PRO A 83 0.008 14.702 -4.366 1.00 24.13 H new ATOM 0 HD3 PRO A 83 -1.125 14.601 -5.699 1.00 24.13 H new ATOM 1280 N GLU A 84 2.985 12.795 -4.900 1.00 52.13 N ATOM 1281 CA GLU A 84 4.276 12.530 -4.223 1.00 4.12 C ATOM 1282 C GLU A 84 4.656 11.041 -4.317 1.00 11.51 C ATOM 1283 O GLU A 84 5.839 10.692 -4.287 1.00 14.40 O ATOM 1284 CB GLU A 84 4.217 12.964 -2.727 1.00 10.23 C ATOM 1285 CG GLU A 84 3.702 14.402 -2.485 1.00 10.30 C ATOM 1286 CD GLU A 84 4.453 15.461 -3.310 1.00 13.11 C ATOM 1287 OE1 GLU A 84 5.600 15.801 -2.952 1.00 74.22 O ATOM 1288 OE2 GLU A 84 3.906 15.936 -4.332 1.00 2.43 O ATOM 0 H GLU A 84 2.231 13.038 -4.257 1.00 52.13 H new ATOM 0 HA GLU A 84 5.040 13.118 -4.732 1.00 4.12 H new ATOM 0 HB2 GLU A 84 3.575 12.268 -2.187 1.00 10.23 H new ATOM 0 HB3 GLU A 84 5.215 12.874 -2.298 1.00 10.23 H new ATOM 0 HG2 GLU A 84 2.640 14.447 -2.728 1.00 10.30 H new ATOM 0 HG3 GLU A 84 3.797 14.642 -1.426 1.00 10.30 H new ATOM 1295 N VAL A 85 3.632 10.170 -4.404 1.00 2.35 N ATOM 1296 CA VAL A 85 3.827 8.723 -4.570 1.00 52.44 C ATOM 1297 C VAL A 85 4.335 8.436 -6.000 1.00 11.21 C ATOM 1298 O VAL A 85 3.597 8.575 -6.976 1.00 60.35 O ATOM 1299 CB VAL A 85 2.505 7.928 -4.253 1.00 11.25 C ATOM 1300 CG1 VAL A 85 2.676 6.397 -4.484 1.00 72.12 C ATOM 1301 CG2 VAL A 85 2.045 8.226 -2.797 1.00 72.03 C ATOM 0 H VAL A 85 2.652 10.451 -4.361 1.00 2.35 H new ATOM 0 HA VAL A 85 4.577 8.380 -3.857 1.00 52.44 H new ATOM 0 HB VAL A 85 1.734 8.266 -4.945 1.00 11.25 H new ATOM 0 HG11 VAL A 85 1.740 5.888 -4.253 1.00 72.12 H new ATOM 0 HG12 VAL A 85 2.942 6.214 -5.525 1.00 72.12 H new ATOM 0 HG13 VAL A 85 3.465 6.017 -3.835 1.00 72.12 H new ATOM 0 HG21 VAL A 85 1.130 7.673 -2.584 1.00 72.03 H new ATOM 0 HG22 VAL A 85 2.825 7.920 -2.099 1.00 72.03 H new ATOM 0 HG23 VAL A 85 1.858 9.294 -2.686 1.00 72.03 H new ATOM 1311 N GLU A 86 5.636 8.132 -6.100 1.00 15.32 N ATOM 1312 CA GLU A 86 6.306 7.765 -7.355 1.00 65.02 C ATOM 1313 C GLU A 86 6.285 6.235 -7.550 1.00 5.14 C ATOM 1314 O GLU A 86 6.240 5.747 -8.684 1.00 72.43 O ATOM 1315 CB GLU A 86 7.761 8.289 -7.326 1.00 23.24 C ATOM 1316 CG GLU A 86 7.884 9.822 -7.197 1.00 72.34 C ATOM 1317 CD GLU A 86 9.346 10.296 -7.148 1.00 44.24 C ATOM 1318 OE1 GLU A 86 10.043 10.202 -8.178 1.00 33.23 O ATOM 1319 OE2 GLU A 86 9.818 10.739 -6.077 1.00 23.04 O ATOM 0 H GLU A 86 6.264 8.134 -5.296 1.00 15.32 H new ATOM 0 HA GLU A 86 5.777 8.218 -8.193 1.00 65.02 H new ATOM 0 HB2 GLU A 86 8.286 7.823 -6.492 1.00 23.24 H new ATOM 0 HB3 GLU A 86 8.267 7.972 -8.238 1.00 23.24 H new ATOM 0 HG2 GLU A 86 7.381 10.295 -8.040 1.00 72.34 H new ATOM 0 HG3 GLU A 86 7.369 10.149 -6.294 1.00 72.34 H new ATOM 1326 N GLY A 87 6.322 5.496 -6.429 1.00 72.50 N ATOM 1327 CA GLY A 87 6.309 4.033 -6.448 1.00 32.51 C ATOM 1328 C GLY A 87 5.920 3.440 -5.103 1.00 65.15 C ATOM 1329 O GLY A 87 5.727 4.173 -4.130 1.00 64.23 O ATOM 0 H GLY A 87 6.361 5.897 -5.492 1.00 72.50 H new ATOM 0 HA2 GLY A 87 5.610 3.688 -7.210 1.00 32.51 H new ATOM 0 HA3 GLY A 87 7.296 3.667 -6.732 1.00 32.51 H new ATOM 1333 N VAL A 88 5.784 2.105 -5.064 1.00 52.22 N ATOM 1334 CA VAL A 88 5.542 1.331 -3.826 1.00 2.22 C ATOM 1335 C VAL A 88 6.537 0.146 -3.796 1.00 51.45 C ATOM 1336 O VAL A 88 6.862 -0.425 -4.841 1.00 71.25 O ATOM 1337 CB VAL A 88 4.041 0.823 -3.720 1.00 25.21 C ATOM 1338 CG1 VAL A 88 3.806 -0.102 -2.488 1.00 53.40 C ATOM 1339 CG2 VAL A 88 3.045 2.010 -3.683 1.00 53.31 C ATOM 0 H VAL A 88 5.839 1.522 -5.899 1.00 52.22 H new ATOM 0 HA VAL A 88 5.701 1.978 -2.963 1.00 2.22 H new ATOM 0 HB VAL A 88 3.859 0.232 -4.618 1.00 25.21 H new ATOM 0 HG11 VAL A 88 2.764 -0.420 -2.465 1.00 53.40 H new ATOM 0 HG12 VAL A 88 4.451 -0.978 -2.562 1.00 53.40 H new ATOM 0 HG13 VAL A 88 4.039 0.444 -1.574 1.00 53.40 H new ATOM 0 HG21 VAL A 88 2.027 1.628 -3.610 1.00 53.31 H new ATOM 0 HG22 VAL A 88 3.260 2.638 -2.819 1.00 53.31 H new ATOM 0 HG23 VAL A 88 3.147 2.599 -4.594 1.00 53.31 H new ATOM 1349 N GLU A 89 7.037 -0.186 -2.599 1.00 23.02 N ATOM 1350 CA GLU A 89 8.002 -1.280 -2.376 1.00 30.31 C ATOM 1351 C GLU A 89 7.438 -2.250 -1.324 1.00 75.24 C ATOM 1352 O GLU A 89 6.776 -1.824 -0.368 1.00 32.31 O ATOM 1353 CB GLU A 89 9.360 -0.684 -1.904 1.00 74.14 C ATOM 1354 CG GLU A 89 10.461 -1.712 -1.590 1.00 1.41 C ATOM 1355 CD GLU A 89 11.778 -1.063 -1.125 1.00 74.22 C ATOM 1356 OE1 GLU A 89 11.790 -0.422 -0.052 1.00 5.41 O ATOM 1357 OE2 GLU A 89 12.801 -1.178 -1.835 1.00 34.42 O ATOM 0 H GLU A 89 6.781 0.304 -1.742 1.00 23.02 H new ATOM 0 HA GLU A 89 8.166 -1.828 -3.304 1.00 30.31 H new ATOM 0 HB2 GLU A 89 9.728 -0.008 -2.676 1.00 74.14 H new ATOM 0 HB3 GLU A 89 9.183 -0.083 -1.012 1.00 74.14 H new ATOM 0 HG2 GLU A 89 10.105 -2.392 -0.816 1.00 1.41 H new ATOM 0 HG3 GLU A 89 10.653 -2.313 -2.479 1.00 1.41 H new ATOM 1364 N GLN A 90 7.692 -3.560 -1.513 1.00 54.14 N ATOM 1365 CA GLN A 90 7.401 -4.583 -0.496 1.00 15.45 C ATOM 1366 C GLN A 90 8.579 -4.641 0.484 1.00 41.43 C ATOM 1367 O GLN A 90 9.734 -4.799 0.062 1.00 40.41 O ATOM 1368 CB GLN A 90 7.196 -5.988 -1.129 1.00 15.15 C ATOM 1369 CG GLN A 90 6.991 -7.130 -0.091 1.00 42.00 C ATOM 1370 CD GLN A 90 7.031 -8.535 -0.688 1.00 53.22 C ATOM 1371 OE1 GLN A 90 7.709 -8.778 -1.686 1.00 30.24 O ATOM 1372 NE2 GLN A 90 6.329 -9.473 -0.071 1.00 64.44 N ATOM 0 H GLN A 90 8.102 -3.934 -2.369 1.00 54.14 H new ATOM 0 HA GLN A 90 6.477 -4.310 0.013 1.00 15.45 H new ATOM 0 HB2 GLN A 90 6.331 -5.954 -1.791 1.00 15.15 H new ATOM 0 HB3 GLN A 90 8.061 -6.225 -1.748 1.00 15.15 H new ATOM 0 HG2 GLN A 90 7.762 -7.051 0.676 1.00 42.00 H new ATOM 0 HG3 GLN A 90 6.032 -6.986 0.406 1.00 42.00 H new ATOM 0 HE21 GLN A 90 5.778 -9.237 0.754 1.00 64.44 H new ATOM 0 HE22 GLN A 90 6.340 -10.431 -0.421 1.00 64.44 H new ATOM 1381 N VAL A 91 8.282 -4.477 1.777 1.00 64.22 N ATOM 1382 CA VAL A 91 9.239 -4.659 2.869 1.00 2.40 C ATOM 1383 C VAL A 91 8.566 -5.482 3.985 1.00 21.23 C ATOM 1384 O VAL A 91 7.709 -4.982 4.726 1.00 24.21 O ATOM 1385 CB VAL A 91 9.744 -3.266 3.433 1.00 3.23 C ATOM 1386 CG1 VAL A 91 10.738 -2.587 2.462 1.00 51.10 C ATOM 1387 CG2 VAL A 91 8.559 -2.316 3.724 1.00 63.31 C ATOM 0 H VAL A 91 7.352 -4.209 2.098 1.00 64.22 H new ATOM 0 HA VAL A 91 10.113 -5.190 2.491 1.00 2.40 H new ATOM 0 HB VAL A 91 10.264 -3.472 4.369 1.00 3.23 H new ATOM 0 HG11 VAL A 91 11.063 -1.635 2.881 1.00 51.10 H new ATOM 0 HG12 VAL A 91 11.603 -3.234 2.316 1.00 51.10 H new ATOM 0 HG13 VAL A 91 10.249 -2.413 1.503 1.00 51.10 H new ATOM 0 HG21 VAL A 91 8.938 -1.369 4.109 1.00 63.31 H new ATOM 0 HG22 VAL A 91 8.002 -2.137 2.804 1.00 63.31 H new ATOM 0 HG23 VAL A 91 7.901 -2.772 4.464 1.00 63.31 H new