USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 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+ 170:sc= 0.588 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.528 K(o=1.1,f=-4.6) USER MOD Set 2.1: A 62 SER OG : rot -100:sc= 0.371 USER MOD Set 2.2: A 63 CYS SG : rot 109:sc= 1.79 USER MOD Set 2.3: A 65 SER OG : rot 180:sc= 0.652 USER MOD Set 2.4: A 66 SER OG : rot 120:sc= 1.26 USER MOD Single : A 22 MET CE :methyl -176:sc= -1.14 (180deg=-1.22) USER MOD Single : A 24 LYS NZ :NH3+ -127:sc= 0.447 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -75:sc= 1.02 USER MOD Single : A 34 THR OG1 : rot 98:sc= 0.469 USER MOD Single : A 36 GLN : amide:sc= -1.02 X(o=-1,f=-0.56) USER MOD Single : A 44 TYR OH : rot 90:sc= -1.83! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0643 K(o=-0.064,f=-1.4) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.616 K(o=-0.62,f=-4.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -21:sc= -4.78! USER MOD Single : A 61 THR OG1 : rot -97:sc= -0.129 USER MOD Single : A 69 THR OG1 : rot 82:sc= 1 USER MOD Single : A 75 GLN : amide:sc= -0.614 K(o=-0.61,f=-0.011) USER MOD Single : A 76 ASN : amide:sc= 0.41 X(o=0.41,f=-0.027) USER MOD Single : A 77 MET CE :methyl 171:sc= -2.38! (180deg=-2.62) USER MOD Single : A 79 GLN : amide:sc= -0.0615 K(o=-0.061,f=-0.71) USER MOD Single : A 81 TYR OH : rot 30:sc= -0.497 USER MOD Single : A 90 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 3.651 16.221 7.483 1.00 13.13 N ATOM 242 CA ASP A 17 3.299 14.784 7.568 1.00 43.32 C ATOM 243 C ASP A 17 1.948 14.469 6.874 1.00 3.15 C ATOM 244 O ASP A 17 1.612 13.302 6.741 1.00 72.20 O ATOM 245 CB ASP A 17 3.253 14.350 9.075 1.00 75.52 C ATOM 246 CG ASP A 17 3.158 12.813 9.312 1.00 22.10 C ATOM 247 OD1 ASP A 17 4.206 12.138 9.217 1.00 44.31 O ATOM 248 OD2 ASP A 17 2.050 12.277 9.623 1.00 60.23 O ATOM 0 HA ASP A 17 4.066 14.217 7.041 1.00 43.32 H new ATOM 0 HB2 ASP A 17 4.147 14.725 9.574 1.00 75.52 H new ATOM 0 HB3 ASP A 17 2.397 14.830 9.550 1.00 75.52 H new ATOM 253 N GLY A 18 1.179 15.516 6.456 1.00 61.21 N ATOM 254 CA GLY A 18 -0.131 15.359 5.785 1.00 71.03 C ATOM 255 C GLY A 18 -0.173 14.339 4.645 1.00 41.52 C ATOM 256 O GLY A 18 -1.191 13.647 4.477 1.00 42.03 O ATOM 0 H GLY A 18 1.457 16.490 6.578 1.00 61.21 H new ATOM 0 HA2 GLY A 18 -0.870 15.071 6.533 1.00 71.03 H new ATOM 0 HA3 GLY A 18 -0.436 16.329 5.392 1.00 71.03 H new ATOM 260 N VAL A 19 0.929 14.244 3.869 1.00 52.43 N ATOM 261 CA VAL A 19 1.111 13.198 2.843 1.00 11.44 C ATOM 262 C VAL A 19 1.046 11.799 3.495 1.00 4.55 C ATOM 263 O VAL A 19 0.178 10.994 3.181 1.00 3.12 O ATOM 264 CB VAL A 19 2.493 13.371 2.113 1.00 11.42 C ATOM 265 CG1 VAL A 19 2.698 12.302 1.014 1.00 53.13 C ATOM 266 CG2 VAL A 19 2.633 14.789 1.527 1.00 32.14 C ATOM 0 H VAL A 19 1.715 14.890 3.937 1.00 52.43 H new ATOM 0 HA VAL A 19 0.310 13.296 2.110 1.00 11.44 H new ATOM 0 HB VAL A 19 3.274 13.229 2.860 1.00 11.42 H new ATOM 0 HG11 VAL A 19 3.664 12.455 0.533 1.00 53.13 H new ATOM 0 HG12 VAL A 19 2.669 11.309 1.463 1.00 53.13 H new ATOM 0 HG13 VAL A 19 1.905 12.387 0.271 1.00 53.13 H new ATOM 0 HG21 VAL A 19 3.597 14.883 1.028 1.00 32.14 H new ATOM 0 HG22 VAL A 19 1.833 14.966 0.808 1.00 32.14 H new ATOM 0 HG23 VAL A 19 2.568 15.523 2.330 1.00 32.14 H new ATOM 276 N VAL A 20 1.953 11.589 4.462 1.00 61.25 N ATOM 277 CA VAL A 20 2.117 10.322 5.205 1.00 25.13 C ATOM 278 C VAL A 20 0.825 9.959 5.970 1.00 60.41 C ATOM 279 O VAL A 20 0.452 8.793 6.052 1.00 20.43 O ATOM 280 CB VAL A 20 3.333 10.451 6.204 1.00 23.33 C ATOM 281 CG1 VAL A 20 3.557 9.161 7.017 1.00 2.13 C ATOM 282 CG2 VAL A 20 4.627 10.860 5.447 1.00 24.12 C ATOM 0 H VAL A 20 2.610 12.311 4.759 1.00 61.25 H new ATOM 0 HA VAL A 20 2.319 9.521 4.494 1.00 25.13 H new ATOM 0 HB VAL A 20 3.083 11.238 6.915 1.00 23.33 H new ATOM 0 HG11 VAL A 20 4.403 9.297 7.690 1.00 2.13 H new ATOM 0 HG12 VAL A 20 2.663 8.938 7.599 1.00 2.13 H new ATOM 0 HG13 VAL A 20 3.763 8.334 6.338 1.00 2.13 H new ATOM 0 HG21 VAL A 20 5.452 10.943 6.155 1.00 24.12 H new ATOM 0 HG22 VAL A 20 4.865 10.104 4.699 1.00 24.12 H new ATOM 0 HG23 VAL A 20 4.473 11.821 4.955 1.00 24.12 H new ATOM 292 N ALA A 21 0.120 11.004 6.440 1.00 24.42 N ATOM 293 CA ALA A 21 -1.055 10.892 7.306 1.00 65.34 C ATOM 294 C ALA A 21 -2.244 10.325 6.532 1.00 1.23 C ATOM 295 O ALA A 21 -2.954 9.437 7.024 1.00 43.23 O ATOM 296 CB ALA A 21 -1.403 12.261 7.901 1.00 32.42 C ATOM 0 H ALA A 21 0.362 11.970 6.220 1.00 24.42 H new ATOM 0 HA ALA A 21 -0.823 10.206 8.120 1.00 65.34 H new ATOM 0 HB1 ALA A 21 -2.278 12.167 8.544 1.00 32.42 H new ATOM 0 HB2 ALA A 21 -0.560 12.628 8.487 1.00 32.42 H new ATOM 0 HB3 ALA A 21 -1.618 12.964 7.096 1.00 32.42 H new ATOM 302 N MET A 22 -2.447 10.850 5.304 1.00 1.34 N ATOM 303 CA MET A 22 -3.528 10.383 4.430 1.00 42.13 C ATOM 304 C MET A 22 -3.193 9.010 3.826 1.00 72.43 C ATOM 305 O MET A 22 -4.109 8.272 3.512 1.00 74.24 O ATOM 306 CB MET A 22 -3.882 11.421 3.330 1.00 42.41 C ATOM 307 CG MET A 22 -2.799 11.701 2.287 1.00 32.41 C ATOM 308 SD MET A 22 -3.321 12.906 1.043 1.00 72.32 S ATOM 309 CE MET A 22 -4.738 12.100 0.289 1.00 4.20 C ATOM 0 H MET A 22 -1.875 11.594 4.903 1.00 1.34 H new ATOM 0 HA MET A 22 -4.418 10.269 5.048 1.00 42.13 H new ATOM 0 HB2 MET A 22 -4.776 11.077 2.810 1.00 42.41 H new ATOM 0 HB3 MET A 22 -4.139 12.362 3.817 1.00 42.41 H new ATOM 0 HG2 MET A 22 -1.904 12.068 2.789 1.00 32.41 H new ATOM 0 HG3 MET A 22 -2.528 10.769 1.792 1.00 32.41 H new ATOM 0 HE1 MET A 22 -5.105 12.708 -0.538 1.00 4.20 H new ATOM 0 HE2 MET A 22 -4.443 11.119 -0.084 1.00 4.20 H new ATOM 0 HE3 MET A 22 -5.528 11.983 1.031 1.00 4.20 H new ATOM 319 N ILE A 23 -1.882 8.659 3.706 1.00 3.21 N ATOM 320 CA ILE A 23 -1.462 7.302 3.274 1.00 41.01 C ATOM 321 C ILE A 23 -1.958 6.258 4.306 1.00 11.01 C ATOM 322 O ILE A 23 -2.602 5.285 3.921 1.00 52.24 O ATOM 323 CB ILE A 23 0.108 7.168 3.063 1.00 52.53 C ATOM 324 CG1 ILE A 23 0.616 8.132 1.939 1.00 0.25 C ATOM 325 CG2 ILE A 23 0.506 5.708 2.726 1.00 32.14 C ATOM 326 CD1 ILE A 23 2.131 8.158 1.725 1.00 63.42 C ATOM 0 H ILE A 23 -1.107 9.293 3.901 1.00 3.21 H new ATOM 0 HA ILE A 23 -1.916 7.118 2.300 1.00 41.01 H new ATOM 0 HB ILE A 23 0.583 7.451 4.002 1.00 52.53 H new ATOM 0 HG12 ILE A 23 0.139 7.850 1.000 1.00 0.25 H new ATOM 0 HG13 ILE A 23 0.283 9.143 2.174 1.00 0.25 H new ATOM 0 HG21 ILE A 23 1.585 5.648 2.587 1.00 32.14 H new ATOM 0 HG22 ILE A 23 0.208 5.052 3.544 1.00 32.14 H new ATOM 0 HG23 ILE A 23 0.005 5.396 1.810 1.00 32.14 H new ATOM 0 HD11 ILE A 23 2.373 8.857 0.925 1.00 63.42 H new ATOM 0 HD12 ILE A 23 2.623 8.474 2.645 1.00 63.42 H new ATOM 0 HD13 ILE A 23 2.477 7.161 1.453 1.00 63.42 H new ATOM 338 N LYS A 24 -1.693 6.520 5.612 1.00 51.24 N ATOM 339 CA LYS A 24 -2.156 5.668 6.750 1.00 1.30 C ATOM 340 C LYS A 24 -3.672 5.356 6.643 1.00 34.12 C ATOM 341 O LYS A 24 -4.102 4.213 6.807 1.00 5.32 O ATOM 342 CB LYS A 24 -1.894 6.383 8.107 1.00 65.33 C ATOM 343 CG LYS A 24 -0.437 6.822 8.357 1.00 4.31 C ATOM 344 CD LYS A 24 -0.328 7.817 9.549 1.00 4.45 C ATOM 345 CE LYS A 24 1.037 8.515 9.622 1.00 5.51 C ATOM 346 NZ LYS A 24 1.100 9.556 10.684 1.00 70.40 N ATOM 0 H LYS A 24 -1.150 7.330 5.911 1.00 51.24 H new ATOM 0 HA LYS A 24 -1.594 4.735 6.703 1.00 1.30 H new ATOM 0 HB2 LYS A 24 -2.535 7.263 8.163 1.00 65.33 H new ATOM 0 HB3 LYS A 24 -2.197 5.716 8.914 1.00 65.33 H new ATOM 0 HG2 LYS A 24 0.177 5.944 8.559 1.00 4.31 H new ATOM 0 HG3 LYS A 24 -0.039 7.289 7.456 1.00 4.31 H new ATOM 0 HD2 LYS A 24 -1.111 8.570 9.460 1.00 4.45 H new ATOM 0 HD3 LYS A 24 -0.506 7.281 10.481 1.00 4.45 H new ATOM 0 HE2 LYS A 24 1.811 7.770 9.805 1.00 5.51 H new ATOM 0 HE3 LYS A 24 1.257 8.973 8.658 1.00 5.51 H new ATOM 0 HZ1 LYS A 24 1.426 10.453 10.272 1.00 70.40 H new ATOM 0 HZ2 LYS A 24 0.155 9.688 11.097 1.00 70.40 H new ATOM 0 HZ3 LYS A 24 1.763 9.255 11.426 1.00 70.40 H new ATOM 360 N GLU A 25 -4.447 6.412 6.329 1.00 34.21 N ATOM 361 CA GLU A 25 -5.911 6.366 6.241 1.00 55.54 C ATOM 362 C GLU A 25 -6.381 5.550 5.021 1.00 72.02 C ATOM 363 O GLU A 25 -7.159 4.606 5.173 1.00 65.42 O ATOM 364 CB GLU A 25 -6.451 7.809 6.156 1.00 2.13 C ATOM 365 CG GLU A 25 -7.986 7.914 6.131 1.00 34.01 C ATOM 366 CD GLU A 25 -8.472 9.342 5.880 1.00 22.01 C ATOM 367 OE1 GLU A 25 -8.620 10.120 6.847 1.00 55.15 O ATOM 368 OE2 GLU A 25 -8.670 9.707 4.708 1.00 43.52 O ATOM 0 H GLU A 25 -4.062 7.335 6.127 1.00 34.21 H new ATOM 0 HA GLU A 25 -6.299 5.871 7.131 1.00 55.54 H new ATOM 0 HB2 GLU A 25 -6.074 8.375 7.008 1.00 2.13 H new ATOM 0 HB3 GLU A 25 -6.052 8.281 5.258 1.00 2.13 H new ATOM 0 HG2 GLU A 25 -8.379 7.258 5.354 1.00 34.01 H new ATOM 0 HG3 GLU A 25 -8.387 7.559 7.081 1.00 34.01 H new ATOM 375 N LEU A 26 -5.869 5.929 3.825 1.00 62.01 N ATOM 376 CA LEU A 26 -6.242 5.323 2.528 1.00 44.42 C ATOM 377 C LEU A 26 -5.995 3.800 2.532 1.00 41.41 C ATOM 378 O LEU A 26 -6.770 3.037 1.957 1.00 23.13 O ATOM 379 CB LEU A 26 -5.436 5.992 1.374 1.00 11.24 C ATOM 380 CG LEU A 26 -5.743 7.491 1.061 1.00 45.03 C ATOM 381 CD1 LEU A 26 -4.688 8.083 0.102 1.00 21.11 C ATOM 382 CD2 LEU A 26 -7.159 7.671 0.493 1.00 3.30 C ATOM 0 H LEU A 26 -5.177 6.673 3.735 1.00 62.01 H new ATOM 0 HA LEU A 26 -7.307 5.493 2.369 1.00 44.42 H new ATOM 0 HB2 LEU A 26 -4.375 5.907 1.610 1.00 11.24 H new ATOM 0 HB3 LEU A 26 -5.607 5.416 0.465 1.00 11.24 H new ATOM 0 HG LEU A 26 -5.693 8.038 2.003 1.00 45.03 H new ATOM 0 HD11 LEU A 26 -4.925 9.128 -0.100 1.00 21.11 H new ATOM 0 HD12 LEU A 26 -3.701 8.017 0.561 1.00 21.11 H new ATOM 0 HD13 LEU A 26 -4.691 7.523 -0.833 1.00 21.11 H new ATOM 0 HD21 LEU A 26 -7.337 8.727 0.287 1.00 3.30 H new ATOM 0 HD22 LEU A 26 -7.256 7.100 -0.430 1.00 3.30 H new ATOM 0 HD23 LEU A 26 -7.890 7.314 1.219 1.00 3.30 H new ATOM 394 N LEU A 27 -4.902 3.387 3.197 1.00 61.21 N ATOM 395 CA LEU A 27 -4.576 1.974 3.401 1.00 43.24 C ATOM 396 C LEU A 27 -5.615 1.306 4.320 1.00 50.23 C ATOM 397 O LEU A 27 -6.287 0.374 3.910 1.00 42.22 O ATOM 398 CB LEU A 27 -3.160 1.820 4.004 1.00 52.45 C ATOM 399 CG LEU A 27 -1.984 2.333 3.126 1.00 13.43 C ATOM 400 CD1 LEU A 27 -0.662 2.285 3.901 1.00 72.12 C ATOM 401 CD2 LEU A 27 -1.890 1.544 1.808 1.00 1.24 C ATOM 0 H LEU A 27 -4.222 4.028 3.607 1.00 61.21 H new ATOM 0 HA LEU A 27 -4.597 1.480 2.430 1.00 43.24 H new ATOM 0 HB2 LEU A 27 -3.133 2.349 4.957 1.00 52.45 H new ATOM 0 HB3 LEU A 27 -2.992 0.765 4.220 1.00 52.45 H new ATOM 0 HG LEU A 27 -2.183 3.374 2.871 1.00 13.43 H new ATOM 0 HD11 LEU A 27 0.146 2.649 3.266 1.00 72.12 H new ATOM 0 HD12 LEU A 27 -0.737 2.914 4.788 1.00 72.12 H new ATOM 0 HD13 LEU A 27 -0.453 1.258 4.201 1.00 72.12 H new ATOM 0 HD21 LEU A 27 -1.059 1.925 1.215 1.00 1.24 H new ATOM 0 HD22 LEU A 27 -1.727 0.489 2.027 1.00 1.24 H new ATOM 0 HD23 LEU A 27 -2.818 1.659 1.248 1.00 1.24 H new ATOM 413 N ASP A 28 -5.781 1.854 5.537 1.00 14.23 N ATOM 414 CA ASP A 28 -6.544 1.201 6.627 1.00 33.02 C ATOM 415 C ASP A 28 -8.031 1.029 6.280 1.00 41.14 C ATOM 416 O ASP A 28 -8.651 0.019 6.639 1.00 14.02 O ATOM 417 CB ASP A 28 -6.390 1.987 7.957 1.00 75.03 C ATOM 418 CG ASP A 28 -6.982 1.235 9.162 1.00 55.44 C ATOM 419 OD1 ASP A 28 -6.366 0.241 9.603 1.00 22.21 O ATOM 420 OD2 ASP A 28 -8.065 1.610 9.658 1.00 3.30 O ATOM 0 H ASP A 28 -5.392 2.761 5.797 1.00 14.23 H new ATOM 0 HA ASP A 28 -6.122 0.204 6.752 1.00 33.02 H new ATOM 0 HB2 ASP A 28 -5.333 2.182 8.139 1.00 75.03 H new ATOM 0 HB3 ASP A 28 -6.881 2.955 7.861 1.00 75.03 H new ATOM 425 N THR A 29 -8.583 2.015 5.571 1.00 13.21 N ATOM 426 CA THR A 29 -10.004 2.045 5.218 1.00 62.52 C ATOM 427 C THR A 29 -10.281 1.245 3.925 1.00 61.30 C ATOM 428 O THR A 29 -11.230 0.452 3.876 1.00 14.23 O ATOM 429 CB THR A 29 -10.507 3.516 5.075 1.00 34.22 C ATOM 430 OG1 THR A 29 -9.723 4.210 4.090 1.00 5.11 O ATOM 431 CG2 THR A 29 -10.431 4.278 6.412 1.00 35.34 C ATOM 0 H THR A 29 -8.057 2.817 5.225 1.00 13.21 H new ATOM 0 HA THR A 29 -10.557 1.569 6.028 1.00 62.52 H new ATOM 0 HB THR A 29 -11.551 3.476 4.763 1.00 34.22 H new ATOM 0 HG1 THR A 29 -8.847 4.435 4.468 1.00 5.11 H new ATOM 0 HG21 THR A 29 -10.790 5.298 6.271 1.00 35.34 H new ATOM 0 HG22 THR A 29 -11.051 3.775 7.153 1.00 35.34 H new ATOM 0 HG23 THR A 29 -9.398 4.302 6.759 1.00 35.34 H new ATOM 439 N ARG A 30 -9.441 1.444 2.887 1.00 63.35 N ATOM 440 CA ARG A 30 -9.675 0.856 1.547 1.00 11.43 C ATOM 441 C ARG A 30 -8.906 -0.467 1.360 1.00 2.32 C ATOM 442 O ARG A 30 -9.511 -1.513 1.103 1.00 54.14 O ATOM 443 CB ARG A 30 -9.260 1.841 0.421 1.00 65.10 C ATOM 444 CG ARG A 30 -9.871 3.261 0.503 1.00 44.41 C ATOM 445 CD ARG A 30 -9.677 4.057 -0.802 1.00 3.51 C ATOM 446 NE ARG A 30 -10.394 3.425 -1.923 1.00 22.21 N ATOM 447 CZ ARG A 30 -10.526 3.924 -3.155 1.00 71.25 C ATOM 448 NH1 ARG A 30 -9.982 5.083 -3.494 1.00 24.22 N ATOM 449 NH2 ARG A 30 -11.208 3.240 -4.060 1.00 51.45 N ATOM 0 H ARG A 30 -8.593 2.008 2.950 1.00 63.35 H new ATOM 0 HA ARG A 30 -10.744 0.656 1.480 1.00 11.43 H new ATOM 0 HB2 ARG A 30 -8.174 1.933 0.428 1.00 65.10 H new ATOM 0 HB3 ARG A 30 -9.536 1.403 -0.538 1.00 65.10 H new ATOM 0 HG2 ARG A 30 -10.936 3.184 0.724 1.00 44.41 H new ATOM 0 HG3 ARG A 30 -9.412 3.804 1.329 1.00 44.41 H new ATOM 0 HD2 ARG A 30 -10.036 5.077 -0.666 1.00 3.51 H new ATOM 0 HD3 ARG A 30 -8.615 4.122 -1.037 1.00 3.51 H new ATOM 0 HE ARG A 30 -10.831 2.521 -1.741 1.00 22.21 H new ATOM 0 HH11 ARG A 30 -9.448 5.616 -2.808 1.00 24.22 H new ATOM 0 HH12 ARG A 30 -10.097 5.443 -4.441 1.00 24.22 H new ATOM 0 HH21 ARG A 30 -11.626 2.343 -3.813 1.00 51.45 H new ATOM 0 HH22 ARG A 30 -11.316 3.610 -5.004 1.00 51.45 H new ATOM 463 N ILE A 31 -7.570 -0.406 1.506 1.00 43.31 N ATOM 464 CA ILE A 31 -6.669 -1.477 1.045 1.00 40.10 C ATOM 465 C ILE A 31 -6.654 -2.668 2.025 1.00 1.53 C ATOM 466 O ILE A 31 -6.989 -3.779 1.617 1.00 4.22 O ATOM 467 CB ILE A 31 -5.210 -0.936 0.830 1.00 13.02 C ATOM 468 CG1 ILE A 31 -5.186 0.243 -0.198 1.00 3.30 C ATOM 469 CG2 ILE A 31 -4.233 -2.056 0.399 1.00 2.41 C ATOM 470 CD1 ILE A 31 -5.639 -0.099 -1.620 1.00 1.44 C ATOM 0 H ILE A 31 -7.088 0.380 1.943 1.00 43.31 H new ATOM 0 HA ILE A 31 -7.055 -1.830 0.088 1.00 40.10 H new ATOM 0 HB ILE A 31 -4.870 -0.557 1.794 1.00 13.02 H new ATOM 0 HG12 ILE A 31 -5.821 1.043 0.182 1.00 3.30 H new ATOM 0 HG13 ILE A 31 -4.171 0.637 -0.246 1.00 3.30 H new ATOM 0 HG21 ILE A 31 -3.236 -1.637 0.262 1.00 2.41 H new ATOM 0 HG22 ILE A 31 -4.200 -2.826 1.170 1.00 2.41 H new ATOM 0 HG23 ILE A 31 -4.574 -2.495 -0.538 1.00 2.41 H new ATOM 0 HD11 ILE A 31 -5.581 0.792 -2.245 1.00 1.44 H new ATOM 0 HD12 ILE A 31 -4.992 -0.873 -2.032 1.00 1.44 H new ATOM 0 HD13 ILE A 31 -6.667 -0.460 -1.597 1.00 1.44 H new ATOM 482 N ARG A 32 -6.280 -2.406 3.314 1.00 23.53 N ATOM 483 CA ARG A 32 -6.133 -3.442 4.365 1.00 1.33 C ATOM 484 C ARG A 32 -7.322 -4.442 4.385 1.00 62.34 C ATOM 485 O ARG A 32 -7.052 -5.630 4.257 1.00 63.33 O ATOM 486 CB ARG A 32 -5.921 -2.859 5.801 1.00 52.11 C ATOM 487 CG ARG A 32 -4.616 -2.071 6.013 1.00 34.21 C ATOM 488 CD ARG A 32 -4.347 -1.765 7.501 1.00 75.14 C ATOM 489 NE ARG A 32 -4.043 -2.988 8.279 1.00 55.11 N ATOM 490 CZ ARG A 32 -4.455 -3.249 9.535 1.00 53.54 C ATOM 491 NH1 ARG A 32 -5.208 -2.387 10.217 1.00 51.43 N ATOM 492 NH2 ARG A 32 -4.108 -4.395 10.099 1.00 51.03 N ATOM 0 H ARG A 32 -6.073 -1.464 3.646 1.00 23.53 H new ATOM 0 HA ARG A 32 -5.224 -3.975 4.088 1.00 1.33 H new ATOM 0 HB2 ARG A 32 -6.761 -2.206 6.036 1.00 52.11 H new ATOM 0 HB3 ARG A 32 -5.948 -3.682 6.515 1.00 52.11 H new ATOM 0 HG2 ARG A 32 -3.781 -2.641 5.606 1.00 34.21 H new ATOM 0 HG3 ARG A 32 -4.665 -1.135 5.456 1.00 34.21 H new ATOM 0 HD2 ARG A 32 -3.512 -1.069 7.582 1.00 75.14 H new ATOM 0 HD3 ARG A 32 -5.218 -1.270 7.931 1.00 75.14 H new ATOM 0 HE ARG A 32 -3.470 -3.697 7.822 1.00 55.11 H new ATOM 0 HH11 ARG A 32 -5.487 -1.504 9.789 1.00 51.43 H new ATOM 0 HH12 ARG A 32 -5.506 -2.610 11.167 1.00 51.43 H new ATOM 0 HH21 ARG A 32 -3.537 -5.065 9.583 1.00 51.03 H new ATOM 0 HH22 ARG A 32 -4.411 -4.608 11.049 1.00 51.03 H new ATOM 506 N PRO A 33 -8.651 -3.992 4.497 1.00 61.31 N ATOM 507 CA PRO A 33 -9.814 -4.928 4.548 1.00 21.34 C ATOM 508 C PRO A 33 -9.854 -5.889 3.336 1.00 71.42 C ATOM 509 O PRO A 33 -10.069 -7.084 3.508 1.00 15.20 O ATOM 510 CB PRO A 33 -11.055 -3.981 4.578 1.00 15.21 C ATOM 511 CG PRO A 33 -10.532 -2.687 5.124 1.00 14.44 C ATOM 512 CD PRO A 33 -9.129 -2.571 4.579 1.00 21.24 C ATOM 0 HA PRO A 33 -9.768 -5.591 5.412 1.00 21.34 H new ATOM 0 HB2 PRO A 33 -11.477 -3.849 3.582 1.00 15.21 H new ATOM 0 HB3 PRO A 33 -11.847 -4.386 5.208 1.00 15.21 H new ATOM 0 HG2 PRO A 33 -11.149 -1.847 4.807 1.00 14.44 H new ATOM 0 HG3 PRO A 33 -10.533 -2.690 6.214 1.00 14.44 H new ATOM 0 HD2 PRO A 33 -9.120 -2.090 3.601 1.00 21.24 H new ATOM 0 HD3 PRO A 33 -8.495 -1.974 5.234 1.00 21.24 H new ATOM 520 N THR A 34 -9.575 -5.338 2.136 1.00 42.30 N ATOM 521 CA THR A 34 -9.566 -6.080 0.862 1.00 71.21 C ATOM 522 C THR A 34 -8.503 -7.206 0.865 1.00 1.23 C ATOM 523 O THR A 34 -8.798 -8.358 0.511 1.00 23.02 O ATOM 524 CB THR A 34 -9.312 -5.082 -0.321 1.00 44.40 C ATOM 525 OG1 THR A 34 -10.301 -4.046 -0.283 1.00 52.33 O ATOM 526 CG2 THR A 34 -9.341 -5.756 -1.708 1.00 64.01 C ATOM 0 H THR A 34 -9.346 -4.350 2.026 1.00 42.30 H new ATOM 0 HA THR A 34 -10.538 -6.556 0.733 1.00 71.21 H new ATOM 0 HB THR A 34 -8.309 -4.679 -0.185 1.00 44.40 H new ATOM 0 HG1 THR A 34 -9.931 -3.256 0.164 1.00 52.33 H new ATOM 0 HG21 THR A 34 -9.158 -5.008 -2.480 1.00 64.01 H new ATOM 0 HG22 THR A 34 -8.568 -6.523 -1.756 1.00 64.01 H new ATOM 0 HG23 THR A 34 -10.317 -6.213 -1.870 1.00 64.01 H new ATOM 534 N VAL A 35 -7.274 -6.857 1.283 1.00 64.41 N ATOM 535 CA VAL A 35 -6.136 -7.799 1.336 1.00 11.42 C ATOM 536 C VAL A 35 -6.357 -8.853 2.448 1.00 12.40 C ATOM 537 O VAL A 35 -5.958 -10.015 2.302 1.00 13.41 O ATOM 538 CB VAL A 35 -4.769 -7.047 1.567 1.00 73.11 C ATOM 539 CG1 VAL A 35 -3.557 -7.982 1.330 1.00 1.30 C ATOM 540 CG2 VAL A 35 -4.664 -5.801 0.671 1.00 31.11 C ATOM 0 H VAL A 35 -7.039 -5.915 1.594 1.00 64.41 H new ATOM 0 HA VAL A 35 -6.083 -8.303 0.371 1.00 11.42 H new ATOM 0 HB VAL A 35 -4.750 -6.728 2.609 1.00 73.11 H new ATOM 0 HG11 VAL A 35 -2.633 -7.429 1.498 1.00 1.30 H new ATOM 0 HG12 VAL A 35 -3.607 -8.824 2.020 1.00 1.30 H new ATOM 0 HG13 VAL A 35 -3.577 -8.351 0.305 1.00 1.30 H new ATOM 0 HG21 VAL A 35 -3.712 -5.302 0.851 1.00 31.11 H new ATOM 0 HG22 VAL A 35 -4.725 -6.099 -0.376 1.00 31.11 H new ATOM 0 HG23 VAL A 35 -5.481 -5.117 0.902 1.00 31.11 H new ATOM 550 N GLN A 36 -7.028 -8.424 3.541 1.00 24.43 N ATOM 551 CA GLN A 36 -7.387 -9.300 4.677 1.00 72.23 C ATOM 552 C GLN A 36 -8.434 -10.344 4.253 1.00 24.24 C ATOM 553 O GLN A 36 -8.439 -11.459 4.782 1.00 13.14 O ATOM 554 CB GLN A 36 -7.875 -8.458 5.898 1.00 4.13 C ATOM 555 CG GLN A 36 -6.755 -7.635 6.591 1.00 12.34 C ATOM 556 CD GLN A 36 -7.272 -6.651 7.652 1.00 72.43 C ATOM 557 OE1 GLN A 36 -8.283 -6.896 8.303 1.00 12.13 O ATOM 558 NE2 GLN A 36 -6.585 -5.530 7.839 1.00 40.21 N ATOM 0 H GLN A 36 -7.336 -7.459 3.659 1.00 24.43 H new ATOM 0 HA GLN A 36 -6.493 -9.840 4.989 1.00 72.23 H new ATOM 0 HB2 GLN A 36 -8.658 -7.777 5.566 1.00 4.13 H new ATOM 0 HB3 GLN A 36 -8.325 -9.128 6.631 1.00 4.13 H new ATOM 0 HG2 GLN A 36 -6.050 -8.322 7.059 1.00 12.34 H new ATOM 0 HG3 GLN A 36 -6.203 -7.080 5.832 1.00 12.34 H new ATOM 0 HE21 GLN A 36 -5.747 -5.347 7.286 1.00 40.21 H new ATOM 0 HE22 GLN A 36 -6.895 -4.852 8.535 1.00 40.21 H new ATOM 567 N GLU A 37 -9.305 -9.986 3.279 1.00 12.13 N ATOM 568 CA GLU A 37 -10.276 -10.937 2.691 1.00 10.44 C ATOM 569 C GLU A 37 -9.564 -11.992 1.826 1.00 23.31 C ATOM 570 O GLU A 37 -10.024 -13.138 1.720 1.00 11.53 O ATOM 571 CB GLU A 37 -11.355 -10.195 1.861 1.00 43.32 C ATOM 572 CG GLU A 37 -12.228 -9.217 2.672 1.00 4.02 C ATOM 573 CD GLU A 37 -12.950 -9.870 3.869 1.00 23.12 C ATOM 574 OE1 GLU A 37 -14.046 -10.441 3.677 1.00 0.24 O ATOM 575 OE2 GLU A 37 -12.419 -9.829 5.005 1.00 45.13 O ATOM 0 H GLU A 37 -9.354 -9.046 2.885 1.00 12.13 H new ATOM 0 HA GLU A 37 -10.773 -11.449 3.515 1.00 10.44 H new ATOM 0 HB2 GLU A 37 -10.863 -9.644 1.060 1.00 43.32 H new ATOM 0 HB3 GLU A 37 -12.003 -10.933 1.388 1.00 43.32 H new ATOM 0 HG2 GLU A 37 -11.601 -8.404 3.038 1.00 4.02 H new ATOM 0 HG3 GLU A 37 -12.971 -8.774 2.010 1.00 4.02 H new ATOM 582 N ASP A 38 -8.447 -11.581 1.197 1.00 15.53 N ATOM 583 CA ASP A 38 -7.578 -12.480 0.407 1.00 15.34 C ATOM 584 C ASP A 38 -6.691 -13.333 1.344 1.00 14.43 C ATOM 585 O ASP A 38 -6.222 -14.408 0.959 1.00 65.30 O ATOM 586 CB ASP A 38 -6.712 -11.632 -0.567 1.00 4.24 C ATOM 587 CG ASP A 38 -5.814 -12.478 -1.490 1.00 5.54 C ATOM 588 OD1 ASP A 38 -6.318 -12.990 -2.516 1.00 43.31 O ATOM 589 OD2 ASP A 38 -4.616 -12.648 -1.193 1.00 50.12 O ATOM 0 H ASP A 38 -8.119 -10.615 1.221 1.00 15.53 H new ATOM 0 HA ASP A 38 -8.195 -13.164 -0.176 1.00 15.34 H new ATOM 0 HB2 ASP A 38 -7.369 -11.014 -1.180 1.00 4.24 H new ATOM 0 HB3 ASP A 38 -6.086 -10.954 0.013 1.00 4.24 H new ATOM 594 N GLY A 39 -6.493 -12.852 2.583 1.00 14.32 N ATOM 595 CA GLY A 39 -5.748 -13.588 3.606 1.00 14.42 C ATOM 596 C GLY A 39 -4.475 -12.878 4.038 1.00 34.01 C ATOM 597 O GLY A 39 -3.894 -13.228 5.066 1.00 1.10 O ATOM 0 H GLY A 39 -6.844 -11.947 2.897 1.00 14.32 H new ATOM 0 HA2 GLY A 39 -6.387 -13.738 4.476 1.00 14.42 H new ATOM 0 HA3 GLY A 39 -5.494 -14.576 3.223 1.00 14.42 H new ATOM 601 N GLY A 40 -4.020 -11.897 3.228 1.00 12.43 N ATOM 602 CA GLY A 40 -2.843 -11.073 3.551 1.00 12.31 C ATOM 603 C GLY A 40 -3.195 -9.831 4.363 1.00 61.02 C ATOM 604 O GLY A 40 -4.232 -9.798 5.022 1.00 72.42 O ATOM 0 H GLY A 40 -4.458 -11.658 2.338 1.00 12.43 H new ATOM 0 HA2 GLY A 40 -2.126 -11.675 4.109 1.00 12.31 H new ATOM 0 HA3 GLY A 40 -2.353 -10.770 2.626 1.00 12.31 H new ATOM 608 N ASP A 41 -2.312 -8.824 4.317 1.00 5.35 N ATOM 609 CA ASP A 41 -2.517 -7.507 4.954 1.00 74.12 C ATOM 610 C ASP A 41 -1.372 -6.572 4.538 1.00 31.34 C ATOM 611 O ASP A 41 -0.312 -7.044 4.101 1.00 43.22 O ATOM 612 CB ASP A 41 -2.603 -7.621 6.510 1.00 64.34 C ATOM 613 CG ASP A 41 -2.946 -6.303 7.237 1.00 43.35 C ATOM 614 OD1 ASP A 41 -3.776 -5.525 6.727 1.00 53.33 O ATOM 615 OD2 ASP A 41 -2.409 -6.057 8.340 1.00 3.32 O ATOM 0 H ASP A 41 -1.419 -8.899 3.829 1.00 5.35 H new ATOM 0 HA ASP A 41 -3.470 -7.099 4.617 1.00 74.12 H new ATOM 0 HB2 ASP A 41 -3.356 -8.367 6.765 1.00 64.34 H new ATOM 0 HB3 ASP A 41 -1.649 -7.990 6.887 1.00 64.34 H new ATOM 620 N VAL A 42 -1.601 -5.250 4.656 1.00 70.25 N ATOM 621 CA VAL A 42 -0.594 -4.225 4.360 1.00 40.10 C ATOM 622 C VAL A 42 -0.352 -3.393 5.645 1.00 40.12 C ATOM 623 O VAL A 42 -1.258 -2.737 6.177 1.00 32.34 O ATOM 624 CB VAL A 42 -0.994 -3.327 3.115 1.00 43.25 C ATOM 625 CG1 VAL A 42 -1.244 -4.207 1.868 1.00 63.31 C ATOM 626 CG2 VAL A 42 -2.219 -2.424 3.379 1.00 12.30 C ATOM 0 H VAL A 42 -2.495 -4.866 4.961 1.00 70.25 H new ATOM 0 HA VAL A 42 0.339 -4.707 4.067 1.00 40.10 H new ATOM 0 HB VAL A 42 -0.148 -2.664 2.935 1.00 43.25 H new ATOM 0 HG11 VAL A 42 -1.517 -3.573 1.024 1.00 63.31 H new ATOM 0 HG12 VAL A 42 -0.337 -4.762 1.626 1.00 63.31 H new ATOM 0 HG13 VAL A 42 -2.054 -4.907 2.073 1.00 63.31 H new ATOM 0 HG21 VAL A 42 -2.438 -1.837 2.487 1.00 12.30 H new ATOM 0 HG22 VAL A 42 -3.081 -3.043 3.626 1.00 12.30 H new ATOM 0 HG23 VAL A 42 -2.004 -1.753 4.211 1.00 12.30 H new ATOM 636 N ILE A 43 0.863 -3.506 6.199 1.00 21.14 N ATOM 637 CA ILE A 43 1.252 -2.798 7.430 1.00 43.14 C ATOM 638 C ILE A 43 2.206 -1.673 7.022 1.00 50.03 C ATOM 639 O ILE A 43 3.302 -1.949 6.517 1.00 23.31 O ATOM 640 CB ILE A 43 1.938 -3.738 8.509 1.00 33.21 C ATOM 641 CG1 ILE A 43 1.040 -4.971 8.885 1.00 34.11 C ATOM 642 CG2 ILE A 43 2.314 -2.948 9.787 1.00 30.10 C ATOM 643 CD1 ILE A 43 1.010 -6.087 7.857 1.00 45.03 C ATOM 0 H ILE A 43 1.603 -4.089 5.809 1.00 21.14 H new ATOM 0 HA ILE A 43 0.352 -2.414 7.911 1.00 43.14 H new ATOM 0 HB ILE A 43 2.850 -4.118 8.048 1.00 33.21 H new ATOM 0 HG12 ILE A 43 1.391 -5.381 9.832 1.00 34.11 H new ATOM 0 HG13 ILE A 43 0.021 -4.621 9.048 1.00 34.11 H new ATOM 0 HG21 ILE A 43 2.782 -3.621 10.506 1.00 30.10 H new ATOM 0 HG22 ILE A 43 3.011 -2.150 9.530 1.00 30.10 H new ATOM 0 HG23 ILE A 43 1.414 -2.516 10.226 1.00 30.10 H new ATOM 0 HD11 ILE A 43 0.363 -6.890 8.210 1.00 45.03 H new ATOM 0 HD12 ILE A 43 0.627 -5.701 6.912 1.00 45.03 H new ATOM 0 HD13 ILE A 43 2.019 -6.472 7.709 1.00 45.03 H new ATOM 655 N TYR A 44 1.775 -0.414 7.218 1.00 44.24 N ATOM 656 CA TYR A 44 2.527 0.769 6.772 1.00 33.20 C ATOM 657 C TYR A 44 3.846 0.884 7.553 1.00 71.54 C ATOM 658 O TYR A 44 3.838 1.169 8.754 1.00 52.42 O ATOM 659 CB TYR A 44 1.664 2.054 6.936 1.00 44.40 C ATOM 660 CG TYR A 44 2.307 3.344 6.395 1.00 61.15 C ATOM 661 CD1 TYR A 44 2.775 3.410 5.082 1.00 42.12 C ATOM 662 CD2 TYR A 44 2.425 4.498 7.181 1.00 12.32 C ATOM 663 CE1 TYR A 44 3.331 4.565 4.577 1.00 21.43 C ATOM 664 CE2 TYR A 44 2.973 5.649 6.671 1.00 4.14 C ATOM 665 CZ TYR A 44 3.422 5.676 5.376 1.00 22.32 C ATOM 666 OH TYR A 44 3.952 6.829 4.868 1.00 41.23 O ATOM 0 H TYR A 44 0.898 -0.190 7.689 1.00 44.24 H new ATOM 0 HA TYR A 44 2.766 0.658 5.714 1.00 33.20 H new ATOM 0 HB2 TYR A 44 0.711 1.901 6.429 1.00 44.40 H new ATOM 0 HB3 TYR A 44 1.443 2.192 7.994 1.00 44.40 H new ATOM 0 HD1 TYR A 44 2.700 2.538 4.449 1.00 42.12 H new ATOM 0 HD2 TYR A 44 2.079 4.482 8.204 1.00 12.32 H new ATOM 0 HE1 TYR A 44 3.692 4.595 3.560 1.00 21.43 H new ATOM 0 HE2 TYR A 44 3.050 6.531 7.289 1.00 4.14 H new ATOM 0 HH TYR A 44 3.238 7.370 4.472 1.00 41.23 H new ATOM 676 N LYS A 45 4.968 0.623 6.854 1.00 2.04 N ATOM 677 CA LYS A 45 6.312 0.590 7.453 1.00 72.54 C ATOM 678 C LYS A 45 7.007 1.944 7.304 1.00 10.41 C ATOM 679 O LYS A 45 7.633 2.427 8.259 1.00 54.02 O ATOM 680 CB LYS A 45 7.159 -0.542 6.801 1.00 61.35 C ATOM 681 CG LYS A 45 6.607 -1.989 6.970 1.00 44.12 C ATOM 682 CD LYS A 45 6.860 -2.623 8.369 1.00 43.34 C ATOM 683 CE LYS A 45 5.909 -2.143 9.479 1.00 42.25 C ATOM 684 NZ LYS A 45 6.226 -2.752 10.795 1.00 41.24 N ATOM 0 H LYS A 45 4.965 0.428 5.853 1.00 2.04 H new ATOM 0 HA LYS A 45 6.214 0.381 8.518 1.00 72.54 H new ATOM 0 HB2 LYS A 45 7.252 -0.332 5.736 1.00 61.35 H new ATOM 0 HB3 LYS A 45 8.164 -0.506 7.222 1.00 61.35 H new ATOM 0 HG2 LYS A 45 5.534 -1.978 6.780 1.00 44.12 H new ATOM 0 HG3 LYS A 45 7.059 -2.627 6.210 1.00 44.12 H new ATOM 0 HD2 LYS A 45 6.776 -3.706 8.282 1.00 43.34 H new ATOM 0 HD3 LYS A 45 7.885 -2.406 8.670 1.00 43.34 H new ATOM 0 HE2 LYS A 45 5.967 -1.058 9.560 1.00 42.25 H new ATOM 0 HE3 LYS A 45 4.883 -2.388 9.206 1.00 42.25 H new ATOM 0 HZ1 LYS A 45 5.559 -2.399 11.511 1.00 41.24 H new ATOM 0 HZ2 LYS A 45 6.145 -3.787 10.727 1.00 41.24 H new ATOM 0 HZ3 LYS A 45 7.196 -2.498 11.070 1.00 41.24 H new ATOM 698 N GLY A 46 6.881 2.560 6.115 1.00 2.22 N ATOM 699 CA GLY A 46 7.520 3.853 5.864 1.00 14.03 C ATOM 700 C GLY A 46 7.222 4.437 4.493 1.00 70.52 C ATOM 701 O GLY A 46 6.469 3.856 3.702 1.00 23.42 O ATOM 0 H GLY A 46 6.350 2.187 5.328 1.00 2.22 H new ATOM 0 HA2 GLY A 46 7.195 4.561 6.627 1.00 14.03 H new ATOM 0 HA3 GLY A 46 8.599 3.740 5.972 1.00 14.03 H new ATOM 705 N PHE A 47 7.816 5.616 4.249 1.00 74.34 N ATOM 706 CA PHE A 47 7.682 6.387 3.015 1.00 35.23 C ATOM 707 C PHE A 47 8.861 7.355 2.957 1.00 74.13 C ATOM 708 O PHE A 47 9.068 8.132 3.894 1.00 24.24 O ATOM 709 CB PHE A 47 6.338 7.163 2.970 1.00 32.31 C ATOM 710 CG PHE A 47 6.171 8.105 1.770 1.00 53.41 C ATOM 711 CD1 PHE A 47 6.007 7.597 0.485 1.00 74.31 C ATOM 712 CD2 PHE A 47 6.180 9.493 1.930 1.00 42.02 C ATOM 713 CE1 PHE A 47 5.856 8.436 -0.602 1.00 23.20 C ATOM 714 CE2 PHE A 47 6.031 10.333 0.841 1.00 63.05 C ATOM 715 CZ PHE A 47 5.867 9.802 -0.424 1.00 23.53 C ATOM 0 H PHE A 47 8.422 6.069 4.933 1.00 74.34 H new ATOM 0 HA PHE A 47 7.684 5.717 2.155 1.00 35.23 H new ATOM 0 HB2 PHE A 47 5.520 6.442 2.963 1.00 32.31 H new ATOM 0 HB3 PHE A 47 6.242 7.746 3.886 1.00 32.31 H new ATOM 0 HD1 PHE A 47 5.998 6.528 0.335 1.00 74.31 H new ATOM 0 HD2 PHE A 47 6.305 9.915 2.916 1.00 42.02 H new ATOM 0 HE1 PHE A 47 5.729 8.021 -1.591 1.00 23.20 H new ATOM 0 HE2 PHE A 47 6.043 11.404 0.980 1.00 63.05 H new ATOM 0 HZ PHE A 47 5.747 10.458 -1.274 1.00 23.53 H new ATOM 725 N GLU A 48 9.642 7.280 1.892 1.00 61.13 N ATOM 726 CA GLU A 48 10.726 8.225 1.626 1.00 54.21 C ATOM 727 C GLU A 48 10.777 8.511 0.127 1.00 75.32 C ATOM 728 O GLU A 48 10.624 7.584 -0.688 1.00 61.45 O ATOM 729 CB GLU A 48 12.095 7.698 2.151 1.00 52.51 C ATOM 730 CG GLU A 48 12.587 6.349 1.568 1.00 52.24 C ATOM 731 CD GLU A 48 11.801 5.127 2.074 1.00 23.21 C ATOM 732 OE1 GLU A 48 12.106 4.649 3.185 1.00 24.43 O ATOM 733 OE2 GLU A 48 10.893 4.637 1.364 1.00 54.14 O ATOM 0 H GLU A 48 9.545 6.557 1.179 1.00 61.13 H new ATOM 0 HA GLU A 48 10.527 9.152 2.164 1.00 54.21 H new ATOM 0 HB2 GLU A 48 12.853 8.454 1.947 1.00 52.51 H new ATOM 0 HB3 GLU A 48 12.029 7.598 3.234 1.00 52.51 H new ATOM 0 HG2 GLU A 48 12.519 6.388 0.481 1.00 52.24 H new ATOM 0 HG3 GLU A 48 13.640 6.220 1.817 1.00 52.24 H new ATOM 740 N ASP A 49 10.984 9.806 -0.209 1.00 45.41 N ATOM 741 CA ASP A 49 11.017 10.331 -1.594 1.00 12.13 C ATOM 742 C ASP A 49 9.651 10.128 -2.285 1.00 62.14 C ATOM 743 O ASP A 49 8.814 11.039 -2.288 1.00 55.32 O ATOM 744 CB ASP A 49 12.197 9.723 -2.417 1.00 24.41 C ATOM 745 CG ASP A 49 13.575 10.009 -1.796 1.00 35.52 C ATOM 746 OD1 ASP A 49 14.002 9.266 -0.881 1.00 5.43 O ATOM 747 OD2 ASP A 49 14.246 10.981 -2.207 1.00 72.44 O ATOM 0 H ASP A 49 11.136 10.531 0.492 1.00 45.41 H new ATOM 0 HA ASP A 49 11.203 11.404 -1.545 1.00 12.13 H new ATOM 0 HB2 ASP A 49 12.058 8.645 -2.498 1.00 24.41 H new ATOM 0 HB3 ASP A 49 12.171 10.125 -3.430 1.00 24.41 H new ATOM 752 N GLY A 50 9.414 8.914 -2.820 1.00 30.22 N ATOM 753 CA GLY A 50 8.166 8.584 -3.515 1.00 21.21 C ATOM 754 C GLY A 50 7.766 7.122 -3.370 1.00 22.10 C ATOM 755 O GLY A 50 6.778 6.687 -3.967 1.00 15.12 O ATOM 0 H GLY A 50 10.081 8.143 -2.780 1.00 30.22 H new ATOM 0 HA2 GLY A 50 7.365 9.213 -3.127 1.00 21.21 H new ATOM 0 HA3 GLY A 50 8.274 8.821 -4.573 1.00 21.21 H new ATOM 759 N ILE A 51 8.524 6.358 -2.569 1.00 73.52 N ATOM 760 CA ILE A 51 8.308 4.913 -2.405 1.00 21.33 C ATOM 761 C ILE A 51 7.633 4.634 -1.059 1.00 0.33 C ATOM 762 O ILE A 51 8.180 4.958 0.000 1.00 4.24 O ATOM 763 CB ILE A 51 9.656 4.115 -2.519 1.00 54.24 C ATOM 764 CG1 ILE A 51 10.383 4.453 -3.866 1.00 62.25 C ATOM 765 CG2 ILE A 51 9.435 2.587 -2.368 1.00 45.00 C ATOM 766 CD1 ILE A 51 9.573 4.197 -5.132 1.00 2.44 C ATOM 0 H ILE A 51 9.301 6.723 -2.019 1.00 73.52 H new ATOM 0 HA ILE A 51 7.655 4.574 -3.209 1.00 21.33 H new ATOM 0 HB ILE A 51 10.298 4.427 -1.695 1.00 54.24 H new ATOM 0 HG12 ILE A 51 10.674 5.503 -3.848 1.00 62.25 H new ATOM 0 HG13 ILE A 51 11.302 3.869 -3.919 1.00 62.25 H new ATOM 0 HG21 ILE A 51 10.391 2.071 -2.453 1.00 45.00 H new ATOM 0 HG22 ILE A 51 8.995 2.378 -1.393 1.00 45.00 H new ATOM 0 HG23 ILE A 51 8.763 2.237 -3.152 1.00 45.00 H new ATOM 0 HD11 ILE A 51 10.168 4.464 -6.005 1.00 2.44 H new ATOM 0 HD12 ILE A 51 9.304 3.142 -5.185 1.00 2.44 H new ATOM 0 HD13 ILE A 51 8.666 4.802 -5.112 1.00 2.44 H new ATOM 778 N VAL A 52 6.419 4.065 -1.129 1.00 25.22 N ATOM 779 CA VAL A 52 5.630 3.657 0.038 1.00 2.21 C ATOM 780 C VAL A 52 5.997 2.207 0.398 1.00 13.43 C ATOM 781 O VAL A 52 5.610 1.267 -0.310 1.00 11.24 O ATOM 782 CB VAL A 52 4.087 3.768 -0.256 1.00 14.30 C ATOM 783 CG1 VAL A 52 3.244 3.444 1.000 1.00 31.20 C ATOM 784 CG2 VAL A 52 3.735 5.164 -0.816 1.00 72.13 C ATOM 0 H VAL A 52 5.952 3.873 -2.016 1.00 25.22 H new ATOM 0 HA VAL A 52 5.857 4.320 0.873 1.00 2.21 H new ATOM 0 HB VAL A 52 3.840 3.025 -1.014 1.00 14.30 H new ATOM 0 HG11 VAL A 52 2.184 3.531 0.759 1.00 31.20 H new ATOM 0 HG12 VAL A 52 3.459 2.428 1.330 1.00 31.20 H new ATOM 0 HG13 VAL A 52 3.494 4.145 1.797 1.00 31.20 H new ATOM 0 HG21 VAL A 52 2.664 5.218 -1.012 1.00 72.13 H new ATOM 0 HG22 VAL A 52 4.010 5.928 -0.089 1.00 72.13 H new ATOM 0 HG23 VAL A 52 4.282 5.333 -1.743 1.00 72.13 H new ATOM 794 N GLN A 53 6.772 2.023 1.477 1.00 74.41 N ATOM 795 CA GLN A 53 7.217 0.693 1.916 1.00 42.53 C ATOM 796 C GLN A 53 6.149 0.058 2.826 1.00 11.30 C ATOM 797 O GLN A 53 5.822 0.594 3.900 1.00 74.03 O ATOM 798 CB GLN A 53 8.597 0.786 2.615 1.00 45.25 C ATOM 799 CG GLN A 53 9.741 1.190 1.658 1.00 74.23 C ATOM 800 CD GLN A 53 11.136 1.117 2.282 1.00 71.33 C ATOM 801 OE1 GLN A 53 11.397 0.324 3.190 1.00 24.54 O ATOM 802 NE2 GLN A 53 12.056 1.921 1.785 1.00 32.53 N ATOM 0 H GLN A 53 7.106 2.786 2.066 1.00 74.41 H new ATOM 0 HA GLN A 53 7.341 0.047 1.047 1.00 42.53 H new ATOM 0 HB2 GLN A 53 8.538 1.512 3.426 1.00 45.25 H new ATOM 0 HB3 GLN A 53 8.834 -0.178 3.066 1.00 45.25 H new ATOM 0 HG2 GLN A 53 9.713 0.542 0.782 1.00 74.23 H new ATOM 0 HG3 GLN A 53 9.565 2.207 1.308 1.00 74.23 H new ATOM 0 HE21 GLN A 53 11.816 2.568 1.034 1.00 32.53 H new ATOM 0 HE22 GLN A 53 13.008 1.895 2.152 1.00 32.53 H new ATOM 811 N LEU A 54 5.583 -1.070 2.360 1.00 62.23 N ATOM 812 CA LEU A 54 4.482 -1.784 3.026 1.00 44.00 C ATOM 813 C LEU A 54 4.885 -3.225 3.315 1.00 44.41 C ATOM 814 O LEU A 54 5.600 -3.852 2.524 1.00 4.05 O ATOM 815 CB LEU A 54 3.213 -1.784 2.134 1.00 55.01 C ATOM 816 CG LEU A 54 2.617 -0.388 1.805 1.00 43.43 C ATOM 817 CD1 LEU A 54 1.409 -0.510 0.876 1.00 41.31 C ATOM 818 CD2 LEU A 54 2.243 0.368 3.087 1.00 4.55 C ATOM 0 H LEU A 54 5.884 -1.518 1.494 1.00 62.23 H new ATOM 0 HA LEU A 54 4.265 -1.270 3.962 1.00 44.00 H new ATOM 0 HB2 LEU A 54 3.451 -2.286 1.196 1.00 55.01 H new ATOM 0 HB3 LEU A 54 2.445 -2.379 2.628 1.00 55.01 H new ATOM 0 HG LEU A 54 3.385 0.186 1.286 1.00 43.43 H new ATOM 0 HD11 LEU A 54 1.012 0.483 0.663 1.00 41.31 H new ATOM 0 HD12 LEU A 54 1.713 -0.987 -0.056 1.00 41.31 H new ATOM 0 HD13 LEU A 54 0.639 -1.113 1.358 1.00 41.31 H new ATOM 0 HD21 LEU A 54 1.828 1.342 2.827 1.00 4.55 H new ATOM 0 HD22 LEU A 54 1.502 -0.205 3.644 1.00 4.55 H new ATOM 0 HD23 LEU A 54 3.133 0.505 3.701 1.00 4.55 H new ATOM 830 N LYS A 55 4.393 -3.745 4.443 1.00 51.51 N ATOM 831 CA LYS A 55 4.583 -5.137 4.817 1.00 11.34 C ATOM 832 C LYS A 55 3.429 -5.955 4.238 1.00 33.42 C ATOM 833 O LYS A 55 2.290 -5.845 4.708 1.00 31.11 O ATOM 834 CB LYS A 55 4.644 -5.273 6.354 1.00 45.32 C ATOM 835 CG LYS A 55 4.947 -6.696 6.877 1.00 54.31 C ATOM 836 CD LYS A 55 4.924 -6.751 8.420 1.00 11.23 C ATOM 837 CE LYS A 55 5.442 -8.078 8.995 1.00 12.11 C ATOM 838 NZ LYS A 55 5.596 -7.998 10.472 1.00 30.13 N ATOM 0 H LYS A 55 3.852 -3.206 5.119 1.00 51.51 H new ATOM 0 HA LYS A 55 5.526 -5.509 4.417 1.00 11.34 H new ATOM 0 HB2 LYS A 55 5.408 -4.594 6.733 1.00 45.32 H new ATOM 0 HB3 LYS A 55 3.691 -4.945 6.770 1.00 45.32 H new ATOM 0 HG2 LYS A 55 4.213 -7.395 6.476 1.00 54.31 H new ATOM 0 HG3 LYS A 55 5.924 -7.017 6.515 1.00 54.31 H new ATOM 0 HD2 LYS A 55 5.528 -5.934 8.814 1.00 11.23 H new ATOM 0 HD3 LYS A 55 3.903 -6.588 8.766 1.00 11.23 H new ATOM 0 HE2 LYS A 55 4.751 -8.882 8.741 1.00 12.11 H new ATOM 0 HE3 LYS A 55 6.401 -8.326 8.539 1.00 12.11 H new ATOM 0 HZ1 LYS A 55 5.947 -8.907 10.834 1.00 30.13 H new ATOM 0 HZ2 LYS A 55 6.273 -7.246 10.710 1.00 30.13 H new ATOM 0 HZ3 LYS A 55 4.675 -7.785 10.906 1.00 30.13 H new ATOM 852 N LEU A 56 3.720 -6.738 3.195 1.00 75.41 N ATOM 853 CA LEU A 56 2.725 -7.618 2.570 1.00 41.15 C ATOM 854 C LEU A 56 2.792 -8.978 3.276 1.00 11.03 C ATOM 855 O LEU A 56 3.877 -9.570 3.380 1.00 12.02 O ATOM 856 CB LEU A 56 2.973 -7.765 1.043 1.00 32.23 C ATOM 857 CG LEU A 56 3.118 -6.439 0.220 1.00 73.20 C ATOM 858 CD1 LEU A 56 3.156 -6.724 -1.294 1.00 3.10 C ATOM 859 CD2 LEU A 56 2.024 -5.405 0.564 1.00 61.03 C ATOM 0 H LEU A 56 4.643 -6.781 2.762 1.00 75.41 H new ATOM 0 HA LEU A 56 1.730 -7.187 2.679 1.00 41.15 H new ATOM 0 HB2 LEU A 56 3.879 -8.354 0.901 1.00 32.23 H new ATOM 0 HB3 LEU A 56 2.150 -8.340 0.619 1.00 32.23 H new ATOM 0 HG LEU A 56 4.071 -5.995 0.508 1.00 73.20 H new ATOM 0 HD11 LEU A 56 3.257 -5.785 -1.839 1.00 3.10 H new ATOM 0 HD12 LEU A 56 4.005 -7.369 -1.522 1.00 3.10 H new ATOM 0 HD13 LEU A 56 2.233 -7.220 -1.594 1.00 3.10 H new ATOM 0 HD21 LEU A 56 2.172 -4.506 -0.034 1.00 61.03 H new ATOM 0 HD22 LEU A 56 1.043 -5.828 0.348 1.00 61.03 H new ATOM 0 HD23 LEU A 56 2.084 -5.150 1.622 1.00 61.03 H new ATOM 871 N GLN A 57 1.641 -9.464 3.760 1.00 25.31 N ATOM 872 CA GLN A 57 1.553 -10.711 4.552 1.00 74.25 C ATOM 873 C GLN A 57 1.268 -11.917 3.644 1.00 51.22 C ATOM 874 O GLN A 57 0.990 -11.752 2.444 1.00 63.20 O ATOM 875 CB GLN A 57 0.444 -10.591 5.629 1.00 1.32 C ATOM 876 CG GLN A 57 0.676 -9.524 6.712 1.00 11.51 C ATOM 877 CD GLN A 57 1.892 -9.760 7.632 1.00 64.44 C ATOM 878 OE1 GLN A 57 2.933 -10.294 7.240 1.00 32.30 O ATOM 879 NE2 GLN A 57 1.743 -9.394 8.887 1.00 74.32 N ATOM 0 H GLN A 57 0.740 -9.007 3.616 1.00 25.31 H new ATOM 0 HA GLN A 57 2.513 -10.865 5.045 1.00 74.25 H new ATOM 0 HB2 GLN A 57 -0.500 -10.375 5.129 1.00 1.32 H new ATOM 0 HB3 GLN A 57 0.332 -11.559 6.117 1.00 1.32 H new ATOM 0 HG2 GLN A 57 0.795 -8.557 6.224 1.00 11.51 H new ATOM 0 HG3 GLN A 57 -0.219 -9.461 7.332 1.00 11.51 H new ATOM 0 HE21 GLN A 57 0.874 -8.954 9.190 1.00 74.32 H new ATOM 0 HE22 GLN A 57 2.496 -9.550 9.557 1.00 74.32 H new ATOM 888 N GLY A 58 1.307 -13.130 4.246 1.00 60.23 N ATOM 889 CA GLY A 58 1.073 -14.390 3.530 1.00 32.42 C ATOM 890 C GLY A 58 -0.329 -14.507 2.920 1.00 61.23 C ATOM 891 O GLY A 58 -1.205 -13.696 3.225 1.00 61.14 O ATOM 0 H GLY A 58 1.502 -13.254 5.240 1.00 60.23 H new ATOM 0 HA2 GLY A 58 1.813 -14.488 2.736 1.00 32.42 H new ATOM 0 HA3 GLY A 58 1.230 -15.222 4.217 1.00 32.42 H new ATOM 895 N SER A 59 -0.512 -15.546 2.070 1.00 62.22 N ATOM 896 CA SER A 59 -1.696 -15.771 1.199 1.00 32.30 C ATOM 897 C SER A 59 -1.691 -14.824 -0.024 1.00 22.51 C ATOM 898 O SER A 59 -1.865 -15.273 -1.167 1.00 35.03 O ATOM 899 CB SER A 59 -3.039 -15.696 1.971 1.00 65.21 C ATOM 900 OG SER A 59 -3.025 -16.576 3.079 1.00 11.02 O ATOM 0 H SER A 59 0.188 -16.281 1.967 1.00 62.22 H new ATOM 0 HA SER A 59 -1.612 -16.793 0.830 1.00 32.30 H new ATOM 0 HB2 SER A 59 -3.212 -14.675 2.312 1.00 65.21 H new ATOM 0 HB3 SER A 59 -3.863 -15.954 1.305 1.00 65.21 H new ATOM 0 HG SER A 59 -3.879 -16.515 3.556 1.00 11.02 H new ATOM 906 N CYS A 60 -1.484 -13.514 0.220 1.00 12.02 N ATOM 907 CA CYS A 60 -1.338 -12.513 -0.854 1.00 33.21 C ATOM 908 C CYS A 60 -0.004 -12.685 -1.584 1.00 22.21 C ATOM 909 O CYS A 60 0.088 -12.484 -2.802 1.00 3.32 O ATOM 910 CB CYS A 60 -1.447 -11.082 -0.300 1.00 52.42 C ATOM 911 SG CYS A 60 -1.282 -9.816 -1.574 1.00 43.44 S ATOM 0 H CYS A 60 -1.414 -13.123 1.160 1.00 12.02 H new ATOM 0 HA CYS A 60 -2.151 -12.674 -1.562 1.00 33.21 H new ATOM 0 HB2 CYS A 60 -2.409 -10.964 0.199 1.00 52.42 H new ATOM 0 HB3 CYS A 60 -0.676 -10.931 0.456 1.00 52.42 H new ATOM 0 HG CYS A 60 -0.671 -10.316 -2.606 1.00 43.44 H new ATOM 917 N THR A 61 1.031 -13.074 -0.827 1.00 54.21 N ATOM 918 CA THR A 61 2.387 -13.260 -1.347 1.00 30.35 C ATOM 919 C THR A 61 2.634 -14.718 -1.784 1.00 50.41 C ATOM 920 O THR A 61 3.783 -15.181 -1.810 1.00 2.20 O ATOM 921 CB THR A 61 3.405 -12.810 -0.259 1.00 73.24 C ATOM 922 OG1 THR A 61 3.143 -13.520 0.967 1.00 61.11 O ATOM 923 CG2 THR A 61 3.312 -11.298 -0.004 1.00 41.55 C ATOM 0 H THR A 61 0.947 -13.269 0.171 1.00 54.21 H new ATOM 0 HA THR A 61 2.517 -12.647 -2.239 1.00 30.35 H new ATOM 0 HB THR A 61 4.410 -13.037 -0.615 1.00 73.24 H new ATOM 0 HG1 THR A 61 2.590 -12.964 1.555 1.00 61.11 H new ATOM 0 HG21 THR A 61 4.035 -11.013 0.761 1.00 41.55 H new ATOM 0 HG22 THR A 61 3.528 -10.759 -0.927 1.00 41.55 H new ATOM 0 HG23 THR A 61 2.307 -11.047 0.335 1.00 41.55 H new ATOM 931 N SER A 62 1.545 -15.416 -2.172 1.00 70.20 N ATOM 932 CA SER A 62 1.582 -16.810 -2.632 1.00 5.32 C ATOM 933 C SER A 62 2.354 -16.955 -3.957 1.00 3.13 C ATOM 934 O SER A 62 3.068 -17.944 -4.163 1.00 45.41 O ATOM 935 CB SER A 62 0.136 -17.325 -2.781 1.00 23.34 C ATOM 936 OG SER A 62 -0.642 -16.456 -3.594 1.00 13.04 O ATOM 0 H SER A 62 0.606 -15.017 -2.172 1.00 70.20 H new ATOM 0 HA SER A 62 2.113 -17.409 -1.892 1.00 5.32 H new ATOM 0 HB2 SER A 62 0.147 -18.323 -3.219 1.00 23.34 H new ATOM 0 HB3 SER A 62 -0.324 -17.414 -1.797 1.00 23.34 H new ATOM 0 HG SER A 62 -1.191 -15.878 -3.023 1.00 13.04 H new ATOM 942 N CYS A 63 2.210 -15.954 -4.841 1.00 4.52 N ATOM 943 CA CYS A 63 2.878 -15.923 -6.151 1.00 23.32 C ATOM 944 C CYS A 63 3.335 -14.480 -6.473 1.00 64.42 C ATOM 945 O CYS A 63 2.622 -13.529 -6.112 1.00 44.23 O ATOM 946 CB CYS A 63 1.904 -16.455 -7.235 1.00 44.33 C ATOM 947 SG CYS A 63 0.288 -15.636 -7.243 1.00 75.11 S ATOM 0 H CYS A 63 1.623 -15.139 -4.665 1.00 4.52 H new ATOM 0 HA CYS A 63 3.761 -16.561 -6.133 1.00 23.32 H new ATOM 0 HB2 CYS A 63 2.366 -16.333 -8.215 1.00 44.33 H new ATOM 0 HB3 CYS A 63 1.757 -17.524 -7.083 1.00 44.33 H new ATOM 0 HG CYS A 63 0.186 -14.888 -8.301 1.00 75.11 H new ATOM 953 N PRO A 64 4.534 -14.293 -7.152 1.00 34.03 N ATOM 954 CA PRO A 64 5.076 -12.949 -7.524 1.00 14.13 C ATOM 955 C PRO A 64 4.090 -12.080 -8.324 1.00 13.23 C ATOM 956 O PRO A 64 4.119 -10.853 -8.218 1.00 63.24 O ATOM 957 CB PRO A 64 6.344 -13.277 -8.357 1.00 14.40 C ATOM 958 CG PRO A 64 6.760 -14.636 -7.867 1.00 2.45 C ATOM 959 CD PRO A 64 5.466 -15.377 -7.582 1.00 4.35 C ATOM 0 HA PRO A 64 5.281 -12.350 -6.636 1.00 14.13 H new ATOM 0 HB2 PRO A 64 6.128 -13.287 -9.425 1.00 14.40 H new ATOM 0 HB3 PRO A 64 7.129 -12.538 -8.197 1.00 14.40 H new ATOM 0 HG2 PRO A 64 7.355 -15.158 -8.616 1.00 2.45 H new ATOM 0 HG3 PRO A 64 7.374 -14.559 -6.970 1.00 2.45 H new ATOM 0 HD2 PRO A 64 5.097 -15.896 -8.466 1.00 4.35 H new ATOM 0 HD3 PRO A 64 5.596 -16.128 -6.802 1.00 4.35 H new ATOM 967 N SER A 65 3.205 -12.743 -9.091 1.00 42.44 N ATOM 968 CA SER A 65 2.153 -12.081 -9.869 1.00 75.43 C ATOM 969 C SER A 65 1.194 -11.297 -8.939 1.00 24.12 C ATOM 970 O SER A 65 0.936 -10.118 -9.178 1.00 73.54 O ATOM 971 CB SER A 65 1.392 -13.133 -10.712 1.00 51.00 C ATOM 972 OG SER A 65 1.022 -14.251 -9.922 1.00 2.11 O ATOM 0 H SER A 65 3.204 -13.759 -9.186 1.00 42.44 H new ATOM 0 HA SER A 65 2.608 -11.359 -10.547 1.00 75.43 H new ATOM 0 HB2 SER A 65 0.501 -12.680 -11.146 1.00 51.00 H new ATOM 0 HB3 SER A 65 2.019 -13.461 -11.541 1.00 51.00 H new ATOM 0 HG SER A 65 0.541 -14.900 -10.478 1.00 2.11 H new ATOM 978 N SER A 66 0.707 -11.960 -7.864 1.00 34.10 N ATOM 979 CA SER A 66 -0.211 -11.344 -6.877 1.00 53.02 C ATOM 980 C SER A 66 0.483 -10.243 -6.039 1.00 52.01 C ATOM 981 O SER A 66 -0.163 -9.268 -5.635 1.00 21.32 O ATOM 982 CB SER A 66 -0.801 -12.433 -5.953 1.00 34.40 C ATOM 983 OG SER A 66 -1.519 -13.391 -6.712 1.00 60.24 O ATOM 0 H SER A 66 0.938 -12.932 -7.657 1.00 34.10 H new ATOM 0 HA SER A 66 -1.016 -10.864 -7.433 1.00 53.02 H new ATOM 0 HB2 SER A 66 0.001 -12.924 -5.401 1.00 34.40 H new ATOM 0 HB3 SER A 66 -1.461 -11.975 -5.216 1.00 34.40 H new ATOM 0 HG SER A 66 -1.115 -14.275 -6.588 1.00 60.24 H new ATOM 989 N ILE A 67 1.799 -10.428 -5.770 1.00 23.25 N ATOM 990 CA ILE A 67 2.640 -9.442 -5.047 1.00 43.22 C ATOM 991 C ILE A 67 2.727 -8.115 -5.832 1.00 74.44 C ATOM 992 O ILE A 67 2.458 -7.048 -5.279 1.00 71.35 O ATOM 993 CB ILE A 67 4.100 -9.997 -4.797 1.00 52.31 C ATOM 994 CG1 ILE A 67 4.048 -11.354 -4.031 1.00 71.41 C ATOM 995 CG2 ILE A 67 4.985 -8.969 -4.034 1.00 72.04 C ATOM 996 CD1 ILE A 67 5.386 -12.059 -3.888 1.00 53.22 C ATOM 0 H ILE A 67 2.308 -11.267 -6.049 1.00 23.25 H new ATOM 0 HA ILE A 67 2.165 -9.262 -4.083 1.00 43.22 H new ATOM 0 HB ILE A 67 4.559 -10.164 -5.772 1.00 52.31 H new ATOM 0 HG12 ILE A 67 3.638 -11.178 -3.036 1.00 71.41 H new ATOM 0 HG13 ILE A 67 3.356 -12.020 -4.547 1.00 71.41 H new ATOM 0 HG21 ILE A 67 5.980 -9.388 -3.882 1.00 72.04 H new ATOM 0 HG22 ILE A 67 5.063 -8.052 -4.618 1.00 72.04 H new ATOM 0 HG23 ILE A 67 4.533 -8.747 -3.067 1.00 72.04 H new ATOM 0 HD11 ILE A 67 5.249 -12.992 -3.342 1.00 53.22 H new ATOM 0 HD12 ILE A 67 5.792 -12.273 -4.877 1.00 53.22 H new ATOM 0 HD13 ILE A 67 6.079 -11.418 -3.342 1.00 53.22 H new ATOM 1008 N ILE A 68 3.092 -8.220 -7.126 1.00 71.44 N ATOM 1009 CA ILE A 68 3.270 -7.065 -8.024 1.00 4.01 C ATOM 1010 C ILE A 68 1.916 -6.374 -8.320 1.00 44.15 C ATOM 1011 O ILE A 68 1.849 -5.145 -8.343 1.00 42.20 O ATOM 1012 CB ILE A 68 4.001 -7.494 -9.360 1.00 74.45 C ATOM 1013 CG1 ILE A 68 5.441 -8.040 -9.050 1.00 12.10 C ATOM 1014 CG2 ILE A 68 4.066 -6.333 -10.385 1.00 70.42 C ATOM 1015 CD1 ILE A 68 6.178 -8.606 -10.258 1.00 14.22 C ATOM 0 H ILE A 68 3.272 -9.116 -7.579 1.00 71.44 H new ATOM 0 HA ILE A 68 3.905 -6.340 -7.516 1.00 4.01 H new ATOM 0 HB ILE A 68 3.412 -8.292 -9.812 1.00 74.45 H new ATOM 0 HG12 ILE A 68 6.037 -7.234 -8.622 1.00 12.10 H new ATOM 0 HG13 ILE A 68 5.365 -8.818 -8.290 1.00 12.10 H new ATOM 0 HG21 ILE A 68 4.576 -6.672 -11.287 1.00 70.42 H new ATOM 0 HG22 ILE A 68 3.055 -6.014 -10.638 1.00 70.42 H new ATOM 0 HG23 ILE A 68 4.613 -5.496 -9.952 1.00 70.42 H new ATOM 0 HD11 ILE A 68 7.162 -8.959 -9.951 1.00 14.22 H new ATOM 0 HD12 ILE A 68 5.608 -9.436 -10.675 1.00 14.22 H new ATOM 0 HD13 ILE A 68 6.291 -7.828 -11.013 1.00 14.22 H new ATOM 1027 N THR A 69 0.846 -7.175 -8.509 1.00 44.55 N ATOM 1028 CA THR A 69 -0.511 -6.662 -8.775 1.00 62.03 C ATOM 1029 C THR A 69 -1.063 -5.889 -7.555 1.00 31.32 C ATOM 1030 O THR A 69 -1.728 -4.861 -7.729 1.00 74.24 O ATOM 1031 CB THR A 69 -1.474 -7.825 -9.191 1.00 25.25 C ATOM 1032 OG1 THR A 69 -0.966 -8.457 -10.378 1.00 41.35 O ATOM 1033 CG2 THR A 69 -2.920 -7.350 -9.448 1.00 34.33 C ATOM 0 H THR A 69 0.900 -8.193 -8.481 1.00 44.55 H new ATOM 0 HA THR A 69 -0.450 -5.963 -9.609 1.00 62.03 H new ATOM 0 HB THR A 69 -1.510 -8.526 -8.357 1.00 25.25 H new ATOM 0 HG1 THR A 69 -0.274 -9.106 -10.132 1.00 41.35 H new ATOM 0 HG21 THR A 69 -3.538 -8.202 -9.732 1.00 34.33 H new ATOM 0 HG22 THR A 69 -3.321 -6.898 -8.541 1.00 34.33 H new ATOM 0 HG23 THR A 69 -2.924 -6.614 -10.252 1.00 34.33 H new ATOM 1041 N LEU A 70 -0.767 -6.371 -6.323 1.00 10.14 N ATOM 1042 CA LEU A 70 -1.150 -5.654 -5.098 1.00 51.11 C ATOM 1043 C LEU A 70 -0.331 -4.360 -4.975 1.00 11.33 C ATOM 1044 O LEU A 70 -0.885 -3.289 -4.751 1.00 23.01 O ATOM 1045 CB LEU A 70 -0.973 -6.526 -3.827 1.00 45.21 C ATOM 1046 CG LEU A 70 -1.439 -5.838 -2.503 1.00 10.30 C ATOM 1047 CD1 LEU A 70 -2.947 -5.519 -2.540 1.00 2.23 C ATOM 1048 CD2 LEU A 70 -1.077 -6.667 -1.267 1.00 42.24 C ATOM 0 H LEU A 70 -0.269 -7.246 -6.160 1.00 10.14 H new ATOM 0 HA LEU A 70 -2.210 -5.412 -5.175 1.00 51.11 H new ATOM 0 HB2 LEU A 70 -1.531 -7.453 -3.956 1.00 45.21 H new ATOM 0 HB3 LEU A 70 0.078 -6.798 -3.731 1.00 45.21 H new ATOM 0 HG LEU A 70 -0.899 -4.895 -2.425 1.00 10.30 H new ATOM 0 HD11 LEU A 70 -3.241 -5.041 -1.605 1.00 2.23 H new ATOM 0 HD12 LEU A 70 -3.156 -4.847 -3.373 1.00 2.23 H new ATOM 0 HD13 LEU A 70 -3.511 -6.443 -2.668 1.00 2.23 H new ATOM 0 HD21 LEU A 70 -1.420 -6.151 -0.370 1.00 42.24 H new ATOM 0 HD22 LEU A 70 -1.558 -7.643 -1.330 1.00 42.24 H new ATOM 0 HD23 LEU A 70 0.004 -6.797 -1.220 1.00 42.24 H new ATOM 1060 N LYS A 71 0.991 -4.495 -5.183 1.00 71.43 N ATOM 1061 CA LYS A 71 1.966 -3.391 -5.124 1.00 61.55 C ATOM 1062 C LYS A 71 1.611 -2.267 -6.128 1.00 23.04 C ATOM 1063 O LYS A 71 1.845 -1.095 -5.852 1.00 33.22 O ATOM 1064 CB LYS A 71 3.393 -3.993 -5.360 1.00 52.14 C ATOM 1065 CG LYS A 71 4.582 -2.989 -5.398 1.00 44.23 C ATOM 1066 CD LYS A 71 4.947 -2.488 -6.824 1.00 31.21 C ATOM 1067 CE LYS A 71 5.424 -3.621 -7.754 1.00 5.31 C ATOM 1068 NZ LYS A 71 5.782 -3.121 -9.109 1.00 44.41 N ATOM 0 H LYS A 71 1.421 -5.394 -5.401 1.00 71.43 H new ATOM 0 HA LYS A 71 1.942 -2.915 -4.144 1.00 61.55 H new ATOM 0 HB2 LYS A 71 3.589 -4.721 -4.573 1.00 52.14 H new ATOM 0 HB3 LYS A 71 3.379 -4.539 -6.303 1.00 52.14 H new ATOM 0 HG2 LYS A 71 4.337 -2.129 -4.774 1.00 44.23 H new ATOM 0 HG3 LYS A 71 5.458 -3.464 -4.956 1.00 44.23 H new ATOM 0 HD2 LYS A 71 4.077 -2.003 -7.267 1.00 31.21 H new ATOM 0 HD3 LYS A 71 5.729 -1.733 -6.749 1.00 31.21 H new ATOM 0 HE2 LYS A 71 6.289 -4.114 -7.310 1.00 5.31 H new ATOM 0 HE3 LYS A 71 4.639 -4.372 -7.841 1.00 5.31 H new ATOM 0 HZ1 LYS A 71 6.254 -3.877 -9.645 1.00 44.41 H new ATOM 0 HZ2 LYS A 71 4.919 -2.828 -9.610 1.00 44.41 H new ATOM 0 HZ3 LYS A 71 6.424 -2.307 -9.020 1.00 44.41 H new ATOM 1082 N ASN A 72 1.031 -2.654 -7.281 1.00 30.52 N ATOM 1083 CA ASN A 72 0.561 -1.722 -8.330 1.00 64.03 C ATOM 1084 C ASN A 72 -0.830 -1.163 -7.994 1.00 30.24 C ATOM 1085 O ASN A 72 -1.102 -0.006 -8.289 1.00 13.43 O ATOM 1086 CB ASN A 72 0.551 -2.401 -9.736 1.00 74.12 C ATOM 1087 CG ASN A 72 1.940 -2.526 -10.365 1.00 20.14 C ATOM 1088 OD1 ASN A 72 2.953 -2.610 -9.672 1.00 60.14 O ATOM 1089 ND2 ASN A 72 1.997 -2.529 -11.687 1.00 31.14 N ATOM 0 H ASN A 72 0.873 -3.634 -7.515 1.00 30.52 H new ATOM 0 HA ASN A 72 1.266 -0.891 -8.362 1.00 64.03 H new ATOM 0 HB2 ASN A 72 0.111 -3.394 -9.648 1.00 74.12 H new ATOM 0 HB3 ASN A 72 -0.091 -1.826 -10.404 1.00 74.12 H new ATOM 0 HD21 ASN A 72 2.899 -2.602 -12.158 1.00 31.14 H new ATOM 0 HD22 ASN A 72 1.139 -2.458 -12.235 1.00 31.14 H new ATOM 1096 N GLY A 73 -1.697 -1.983 -7.383 1.00 41.14 N ATOM 1097 CA GLY A 73 -3.053 -1.555 -7.014 1.00 3.41 C ATOM 1098 C GLY A 73 -3.049 -0.427 -5.984 1.00 74.30 C ATOM 1099 O GLY A 73 -3.685 0.625 -6.179 1.00 43.01 O ATOM 0 H GLY A 73 -1.482 -2.948 -7.134 1.00 41.14 H new ATOM 0 HA2 GLY A 73 -3.582 -1.225 -7.908 1.00 3.41 H new ATOM 0 HA3 GLY A 73 -3.603 -2.407 -6.614 1.00 3.41 H new ATOM 1103 N ILE A 74 -2.277 -0.647 -4.913 1.00 73.51 N ATOM 1104 CA ILE A 74 -2.052 0.326 -3.845 1.00 3.32 C ATOM 1105 C ILE A 74 -1.348 1.575 -4.405 1.00 44.21 C ATOM 1106 O ILE A 74 -1.695 2.693 -4.050 1.00 41.45 O ATOM 1107 CB ILE A 74 -1.165 -0.291 -2.707 1.00 21.21 C ATOM 1108 CG1 ILE A 74 -1.739 -1.653 -2.211 1.00 74.20 C ATOM 1109 CG2 ILE A 74 -1.025 0.701 -1.533 1.00 74.31 C ATOM 1110 CD1 ILE A 74 -0.815 -2.416 -1.277 1.00 54.42 C ATOM 0 H ILE A 74 -1.782 -1.526 -4.764 1.00 73.51 H new ATOM 0 HA ILE A 74 -3.023 0.602 -3.433 1.00 3.32 H new ATOM 0 HB ILE A 74 -0.175 -0.482 -3.122 1.00 21.21 H new ATOM 0 HG12 ILE A 74 -2.684 -1.471 -1.700 1.00 74.20 H new ATOM 0 HG13 ILE A 74 -1.959 -2.278 -3.076 1.00 74.20 H new ATOM 0 HG21 ILE A 74 -0.407 0.257 -0.753 1.00 74.31 H new ATOM 0 HG22 ILE A 74 -0.558 1.620 -1.887 1.00 74.31 H new ATOM 0 HG23 ILE A 74 -2.012 0.928 -1.129 1.00 74.31 H new ATOM 0 HD11 ILE A 74 -1.290 -3.351 -0.979 1.00 54.42 H new ATOM 0 HD12 ILE A 74 0.122 -2.632 -1.789 1.00 54.42 H new ATOM 0 HD13 ILE A 74 -0.614 -1.813 -0.392 1.00 54.42 H new ATOM 1122 N GLN A 75 -0.359 1.328 -5.288 1.00 3.22 N ATOM 1123 CA GLN A 75 0.418 2.371 -5.984 1.00 22.33 C ATOM 1124 C GLN A 75 -0.512 3.359 -6.696 1.00 43.24 C ATOM 1125 O GLN A 75 -0.517 4.524 -6.350 1.00 13.12 O ATOM 1126 CB GLN A 75 1.389 1.696 -6.981 1.00 41.14 C ATOM 1127 CG GLN A 75 2.305 2.617 -7.802 1.00 24.02 C ATOM 1128 CD GLN A 75 3.200 1.855 -8.789 1.00 3.10 C ATOM 1129 OE1 GLN A 75 3.533 2.362 -9.857 1.00 30.43 O ATOM 1130 NE2 GLN A 75 3.619 0.637 -8.442 1.00 44.33 N ATOM 0 H GLN A 75 -0.074 0.382 -5.541 1.00 3.22 H new ATOM 0 HA GLN A 75 0.996 2.941 -5.256 1.00 22.33 H new ATOM 0 HB2 GLN A 75 2.019 1.004 -6.423 1.00 41.14 H new ATOM 0 HB3 GLN A 75 0.798 1.100 -7.677 1.00 41.14 H new ATOM 0 HG2 GLN A 75 1.692 3.331 -8.353 1.00 24.02 H new ATOM 0 HG3 GLN A 75 2.933 3.194 -7.123 1.00 24.02 H new ATOM 0 HE21 GLN A 75 3.331 0.233 -7.551 1.00 44.33 H new ATOM 0 HE22 GLN A 75 4.227 0.109 -9.068 1.00 44.33 H new ATOM 1139 N ASN A 76 -1.348 2.846 -7.619 1.00 64.34 N ATOM 1140 CA ASN A 76 -2.275 3.663 -8.427 1.00 64.44 C ATOM 1141 C ASN A 76 -3.307 4.412 -7.552 1.00 74.12 C ATOM 1142 O ASN A 76 -3.707 5.527 -7.894 1.00 23.40 O ATOM 1143 CB ASN A 76 -3.007 2.789 -9.493 1.00 32.22 C ATOM 1144 CG ASN A 76 -2.113 2.356 -10.664 1.00 35.43 C ATOM 1145 OD1 ASN A 76 -1.804 3.153 -11.544 1.00 60.11 O ATOM 1146 ND2 ASN A 76 -1.748 1.082 -10.728 1.00 0.23 N ATOM 0 H ASN A 76 -1.400 1.849 -7.826 1.00 64.34 H new ATOM 0 HA ASN A 76 -1.670 4.411 -8.939 1.00 64.44 H new ATOM 0 HB2 ASN A 76 -3.407 1.900 -9.006 1.00 32.22 H new ATOM 0 HB3 ASN A 76 -3.857 3.348 -9.885 1.00 32.22 H new ATOM 0 HD21 ASN A 76 -1.199 0.748 -11.520 1.00 0.23 H new ATOM 0 HD22 ASN A 76 -2.016 0.437 -9.985 1.00 0.23 H new ATOM 1153 N MET A 77 -3.751 3.782 -6.441 1.00 61.22 N ATOM 1154 CA MET A 77 -4.713 4.395 -5.499 1.00 61.00 C ATOM 1155 C MET A 77 -4.055 5.595 -4.785 1.00 33.03 C ATOM 1156 O MET A 77 -4.596 6.706 -4.797 1.00 12.31 O ATOM 1157 CB MET A 77 -5.217 3.320 -4.493 1.00 1.40 C ATOM 1158 CG MET A 77 -6.363 3.767 -3.547 1.00 31.55 C ATOM 1159 SD MET A 77 -5.815 4.819 -2.186 1.00 60.34 S ATOM 1160 CE MET A 77 -4.700 3.712 -1.325 1.00 24.44 C ATOM 0 H MET A 77 -3.455 2.843 -6.174 1.00 61.22 H new ATOM 0 HA MET A 77 -5.579 4.772 -6.043 1.00 61.00 H new ATOM 0 HB2 MET A 77 -5.555 2.451 -5.058 1.00 1.40 H new ATOM 0 HB3 MET A 77 -4.373 2.996 -3.884 1.00 1.40 H new ATOM 0 HG2 MET A 77 -7.114 4.302 -4.128 1.00 31.55 H new ATOM 0 HG3 MET A 77 -6.849 2.882 -3.137 1.00 31.55 H new ATOM 0 HE1 MET A 77 -4.161 4.265 -0.556 1.00 24.44 H new ATOM 0 HE2 MET A 77 -5.272 2.908 -0.861 1.00 24.44 H new ATOM 0 HE3 MET A 77 -3.988 3.289 -2.034 1.00 24.44 H new ATOM 1170 N LEU A 78 -2.852 5.363 -4.226 1.00 73.33 N ATOM 1171 CA LEU A 78 -2.054 6.397 -3.543 1.00 11.44 C ATOM 1172 C LEU A 78 -1.608 7.509 -4.522 1.00 41.30 C ATOM 1173 O LEU A 78 -1.483 8.646 -4.114 1.00 72.12 O ATOM 1174 CB LEU A 78 -0.813 5.763 -2.841 1.00 53.10 C ATOM 1175 CG LEU A 78 -1.111 4.863 -1.599 1.00 71.13 C ATOM 1176 CD1 LEU A 78 0.152 4.129 -1.126 1.00 22.04 C ATOM 1177 CD2 LEU A 78 -1.719 5.686 -0.443 1.00 52.11 C ATOM 0 H LEU A 78 -2.404 4.447 -4.236 1.00 73.33 H new ATOM 0 HA LEU A 78 -2.690 6.854 -2.785 1.00 11.44 H new ATOM 0 HB2 LEU A 78 -0.271 5.166 -3.575 1.00 53.10 H new ATOM 0 HB3 LEU A 78 -0.147 6.568 -2.530 1.00 53.10 H new ATOM 0 HG LEU A 78 -1.843 4.117 -1.909 1.00 71.13 H new ATOM 0 HD11 LEU A 78 -0.089 3.511 -0.261 1.00 22.04 H new ATOM 0 HD12 LEU A 78 0.528 3.496 -1.930 1.00 22.04 H new ATOM 0 HD13 LEU A 78 0.915 4.858 -0.851 1.00 22.04 H new ATOM 0 HD21 LEU A 78 -1.915 5.031 0.406 1.00 52.11 H new ATOM 0 HD22 LEU A 78 -1.019 6.467 -0.145 1.00 52.11 H new ATOM 0 HD23 LEU A 78 -2.653 6.142 -0.773 1.00 52.11 H new ATOM 1189 N GLN A 79 -1.396 7.157 -5.811 1.00 54.02 N ATOM 1190 CA GLN A 79 -0.987 8.117 -6.865 1.00 12.02 C ATOM 1191 C GLN A 79 -2.164 9.005 -7.287 1.00 54.30 C ATOM 1192 O GLN A 79 -1.974 10.195 -7.579 1.00 12.54 O ATOM 1193 CB GLN A 79 -0.401 7.388 -8.104 1.00 33.34 C ATOM 1194 CG GLN A 79 0.986 6.765 -7.868 1.00 13.54 C ATOM 1195 CD GLN A 79 1.544 6.017 -9.074 1.00 10.12 C ATOM 1196 OE1 GLN A 79 0.799 5.464 -9.881 1.00 33.22 O ATOM 1197 NE2 GLN A 79 2.862 5.976 -9.197 1.00 32.23 N ATOM 0 H GLN A 79 -1.503 6.201 -6.150 1.00 54.02 H new ATOM 0 HA GLN A 79 -0.206 8.748 -6.440 1.00 12.02 H new ATOM 0 HB2 GLN A 79 -1.092 6.603 -8.411 1.00 33.34 H new ATOM 0 HB3 GLN A 79 -0.334 8.095 -8.930 1.00 33.34 H new ATOM 0 HG2 GLN A 79 1.684 7.554 -7.588 1.00 13.54 H new ATOM 0 HG3 GLN A 79 0.925 6.078 -7.024 1.00 13.54 H new ATOM 0 HE21 GLN A 79 3.453 6.445 -8.511 1.00 32.23 H new ATOM 0 HE22 GLN A 79 3.286 5.475 -9.978 1.00 32.23 H new ATOM 1206 N PHE A 80 -3.374 8.406 -7.309 1.00 21.42 N ATOM 1207 CA PHE A 80 -4.625 9.093 -7.684 1.00 22.41 C ATOM 1208 C PHE A 80 -4.870 10.298 -6.759 1.00 3.13 C ATOM 1209 O PHE A 80 -5.254 11.378 -7.217 1.00 44.20 O ATOM 1210 CB PHE A 80 -5.808 8.086 -7.607 1.00 34.32 C ATOM 1211 CG PHE A 80 -7.176 8.642 -8.006 1.00 53.11 C ATOM 1212 CD1 PHE A 80 -7.467 8.931 -9.344 1.00 50.14 C ATOM 1213 CD2 PHE A 80 -8.180 8.858 -7.053 1.00 11.55 C ATOM 1214 CE1 PHE A 80 -8.711 9.412 -9.713 1.00 41.14 C ATOM 1215 CE2 PHE A 80 -9.419 9.343 -7.427 1.00 42.32 C ATOM 1216 CZ PHE A 80 -9.684 9.619 -8.752 1.00 0.31 C ATOM 0 H PHE A 80 -3.509 7.425 -7.065 1.00 21.42 H new ATOM 0 HA PHE A 80 -4.544 9.465 -8.705 1.00 22.41 H new ATOM 0 HB2 PHE A 80 -5.580 7.235 -8.249 1.00 34.32 H new ATOM 0 HB3 PHE A 80 -5.873 7.707 -6.587 1.00 34.32 H new ATOM 0 HD1 PHE A 80 -6.710 8.777 -10.099 1.00 50.14 H new ATOM 0 HD2 PHE A 80 -7.983 8.643 -6.013 1.00 11.55 H new ATOM 0 HE1 PHE A 80 -8.922 9.626 -10.750 1.00 41.14 H new ATOM 0 HE2 PHE A 80 -10.182 9.506 -6.680 1.00 42.32 H new ATOM 0 HZ PHE A 80 -10.654 9.998 -9.040 1.00 0.31 H new ATOM 1226 N TYR A 81 -4.612 10.093 -5.460 1.00 50.41 N ATOM 1227 CA TYR A 81 -4.784 11.131 -4.428 1.00 70.22 C ATOM 1228 C TYR A 81 -3.507 11.985 -4.255 1.00 24.25 C ATOM 1229 O TYR A 81 -3.592 13.190 -3.993 1.00 65.14 O ATOM 1230 CB TYR A 81 -5.162 10.461 -3.082 1.00 43.12 C ATOM 1231 CG TYR A 81 -6.515 9.729 -3.099 1.00 62.25 C ATOM 1232 CD1 TYR A 81 -7.719 10.440 -3.043 1.00 53.11 C ATOM 1233 CD2 TYR A 81 -6.591 8.333 -3.150 1.00 51.22 C ATOM 1234 CE1 TYR A 81 -8.934 9.785 -3.041 1.00 52.42 C ATOM 1235 CE2 TYR A 81 -7.807 7.676 -3.152 1.00 52.13 C ATOM 1236 CZ TYR A 81 -8.973 8.411 -3.095 1.00 64.40 C ATOM 1237 OH TYR A 81 -10.191 7.769 -3.076 1.00 22.12 O ATOM 0 H TYR A 81 -4.278 9.202 -5.092 1.00 50.41 H new ATOM 0 HA TYR A 81 -5.584 11.799 -4.748 1.00 70.22 H new ATOM 0 HB2 TYR A 81 -4.381 9.751 -2.811 1.00 43.12 H new ATOM 0 HB3 TYR A 81 -5.184 11.223 -2.303 1.00 43.12 H new ATOM 0 HD1 TYR A 81 -7.697 11.519 -3.001 1.00 53.11 H new ATOM 0 HD2 TYR A 81 -5.679 7.756 -3.189 1.00 51.22 H new ATOM 0 HE1 TYR A 81 -9.853 10.351 -2.997 1.00 52.42 H new ATOM 0 HE2 TYR A 81 -7.844 6.598 -3.198 1.00 52.13 H new ATOM 0 HH TYR A 81 -10.870 8.343 -3.490 1.00 22.12 H new ATOM 1247 N ILE A 82 -2.327 11.342 -4.400 1.00 42.01 N ATOM 1248 CA ILE A 82 -1.013 11.935 -4.038 1.00 24.11 C ATOM 1249 C ILE A 82 -0.014 11.764 -5.213 1.00 32.44 C ATOM 1250 O ILE A 82 0.434 10.642 -5.468 1.00 11.55 O ATOM 1251 CB ILE A 82 -0.398 11.233 -2.761 1.00 61.33 C ATOM 1252 CG1 ILE A 82 -1.435 11.106 -1.603 1.00 24.41 C ATOM 1253 CG2 ILE A 82 0.872 11.970 -2.283 1.00 23.24 C ATOM 1254 CD1 ILE A 82 -0.987 10.199 -0.477 1.00 60.23 C ATOM 0 H ILE A 82 -2.255 10.395 -4.772 1.00 42.01 H new ATOM 0 HA ILE A 82 -1.178 12.991 -3.824 1.00 24.11 H new ATOM 0 HB ILE A 82 -0.119 10.221 -3.056 1.00 61.33 H new ATOM 0 HG12 ILE A 82 -1.638 12.098 -1.199 1.00 24.41 H new ATOM 0 HG13 ILE A 82 -2.374 10.729 -2.009 1.00 24.41 H new ATOM 0 HG21 ILE A 82 1.275 11.467 -1.404 1.00 23.24 H new ATOM 0 HG22 ILE A 82 1.617 11.964 -3.078 1.00 23.24 H new ATOM 0 HG23 ILE A 82 0.621 13.000 -2.029 1.00 23.24 H new ATOM 0 HD11 ILE A 82 -1.761 10.162 0.290 1.00 60.23 H new ATOM 0 HD12 ILE A 82 -0.812 9.196 -0.866 1.00 60.23 H new ATOM 0 HD13 ILE A 82 -0.065 10.586 -0.043 1.00 60.23 H new ATOM 1266 N PRO A 83 0.376 12.865 -5.931 1.00 54.33 N ATOM 1267 CA PRO A 83 1.369 12.791 -7.045 1.00 23.44 C ATOM 1268 C PRO A 83 2.822 12.571 -6.557 1.00 62.24 C ATOM 1269 O PRO A 83 3.740 12.428 -7.372 1.00 41.32 O ATOM 1270 CB PRO A 83 1.207 14.167 -7.744 1.00 61.12 C ATOM 1271 CG PRO A 83 0.753 15.093 -6.652 1.00 72.31 C ATOM 1272 CD PRO A 83 -0.125 14.259 -5.734 1.00 13.24 C ATOM 0 HA PRO A 83 1.187 11.939 -7.700 1.00 23.44 H new ATOM 0 HB2 PRO A 83 2.147 14.502 -8.183 1.00 61.12 H new ATOM 0 HB3 PRO A 83 0.477 14.118 -8.552 1.00 61.12 H new ATOM 0 HG2 PRO A 83 1.605 15.504 -6.110 1.00 72.31 H new ATOM 0 HG3 PRO A 83 0.198 15.937 -7.062 1.00 72.31 H new ATOM 0 HD2 PRO A 83 -0.031 14.575 -4.695 1.00 13.24 H new ATOM 0 HD3 PRO A 83 -1.178 14.347 -6.000 1.00 13.24 H new ATOM 1280 N GLU A 84 3.012 12.542 -5.231 1.00 31.31 N ATOM 1281 CA GLU A 84 4.333 12.361 -4.600 1.00 72.23 C ATOM 1282 C GLU A 84 4.750 10.882 -4.607 1.00 10.52 C ATOM 1283 O GLU A 84 5.940 10.572 -4.588 1.00 44.21 O ATOM 1284 CB GLU A 84 4.300 12.929 -3.157 1.00 11.51 C ATOM 1285 CG GLU A 84 3.730 14.366 -3.060 1.00 10.11 C ATOM 1286 CD GLU A 84 4.508 15.395 -3.904 1.00 4.53 C ATOM 1287 OE1 GLU A 84 5.536 15.915 -3.426 1.00 65.12 O ATOM 1288 OE2 GLU A 84 4.095 15.687 -5.050 1.00 43.32 O ATOM 0 H GLU A 84 2.251 12.644 -4.559 1.00 31.31 H new ATOM 0 HA GLU A 84 5.079 12.909 -5.176 1.00 72.23 H new ATOM 0 HB2 GLU A 84 3.701 12.268 -2.531 1.00 11.51 H new ATOM 0 HB3 GLU A 84 5.312 12.922 -2.751 1.00 11.51 H new ATOM 0 HG2 GLU A 84 2.688 14.358 -3.381 1.00 10.11 H new ATOM 0 HG3 GLU A 84 3.739 14.682 -2.017 1.00 10.11 H new ATOM 1295 N VAL A 85 3.749 9.982 -4.638 1.00 12.12 N ATOM 1296 CA VAL A 85 3.974 8.534 -4.720 1.00 42.21 C ATOM 1297 C VAL A 85 4.404 8.159 -6.153 1.00 41.24 C ATOM 1298 O VAL A 85 3.624 8.300 -7.099 1.00 61.34 O ATOM 1299 CB VAL A 85 2.676 7.744 -4.308 1.00 14.24 C ATOM 1300 CG1 VAL A 85 2.858 6.204 -4.423 1.00 5.32 C ATOM 1301 CG2 VAL A 85 2.225 8.145 -2.883 1.00 35.55 C ATOM 0 H VAL A 85 2.763 10.242 -4.607 1.00 12.12 H new ATOM 0 HA VAL A 85 4.768 8.259 -4.025 1.00 42.21 H new ATOM 0 HB VAL A 85 1.892 8.021 -5.013 1.00 14.24 H new ATOM 0 HG11 VAL A 85 1.935 5.705 -4.128 1.00 5.32 H new ATOM 0 HG12 VAL A 85 3.098 5.942 -5.453 1.00 5.32 H new ATOM 0 HG13 VAL A 85 3.669 5.884 -3.769 1.00 5.32 H new ATOM 0 HG21 VAL A 85 1.327 7.589 -2.616 1.00 35.55 H new ATOM 0 HG22 VAL A 85 3.019 7.916 -2.172 1.00 35.55 H new ATOM 0 HG23 VAL A 85 2.012 9.214 -2.856 1.00 35.55 H new ATOM 1311 N GLU A 86 5.678 7.776 -6.312 1.00 21.12 N ATOM 1312 CA GLU A 86 6.205 7.211 -7.568 1.00 61.21 C ATOM 1313 C GLU A 86 5.939 5.696 -7.633 1.00 24.33 C ATOM 1314 O GLU A 86 5.808 5.127 -8.724 1.00 60.12 O ATOM 1315 CB GLU A 86 7.724 7.488 -7.717 1.00 4.33 C ATOM 1316 CG GLU A 86 8.104 8.985 -7.759 1.00 72.43 C ATOM 1317 CD GLU A 86 9.565 9.218 -8.177 1.00 74.22 C ATOM 1318 OE1 GLU A 86 10.466 9.059 -7.332 1.00 50.00 O ATOM 1319 OE2 GLU A 86 9.818 9.538 -9.358 1.00 61.44 O ATOM 0 H GLU A 86 6.377 7.848 -5.573 1.00 21.12 H new ATOM 0 HA GLU A 86 5.686 7.699 -8.393 1.00 61.21 H new ATOM 0 HB2 GLU A 86 8.249 7.017 -6.886 1.00 4.33 H new ATOM 0 HB3 GLU A 86 8.079 7.011 -8.630 1.00 4.33 H new ATOM 0 HG2 GLU A 86 7.445 9.503 -8.456 1.00 72.43 H new ATOM 0 HG3 GLU A 86 7.938 9.425 -6.776 1.00 72.43 H new ATOM 1326 N GLY A 87 5.854 5.057 -6.454 1.00 5.13 N ATOM 1327 CA GLY A 87 5.649 3.616 -6.376 1.00 1.43 C ATOM 1328 C GLY A 87 5.480 3.107 -4.956 1.00 23.53 C ATOM 1329 O GLY A 87 5.452 3.885 -4.000 1.00 61.20 O ATOM 0 H GLY A 87 5.925 5.522 -5.549 1.00 5.13 H new ATOM 0 HA2 GLY A 87 4.766 3.350 -6.957 1.00 1.43 H new ATOM 0 HA3 GLY A 87 6.498 3.110 -6.837 1.00 1.43 H new ATOM 1333 N VAL A 88 5.353 1.777 -4.854 1.00 24.21 N ATOM 1334 CA VAL A 88 5.241 1.008 -3.592 1.00 33.32 C ATOM 1335 C VAL A 88 6.308 -0.119 -3.639 1.00 53.33 C ATOM 1336 O VAL A 88 6.710 -0.541 -4.733 1.00 53.51 O ATOM 1337 CB VAL A 88 3.775 0.412 -3.411 1.00 10.04 C ATOM 1338 CG1 VAL A 88 3.661 -0.578 -2.223 1.00 1.52 C ATOM 1339 CG2 VAL A 88 2.737 1.547 -3.248 1.00 4.14 C ATOM 0 H VAL A 88 5.324 1.176 -5.678 1.00 24.21 H new ATOM 0 HA VAL A 88 5.417 1.657 -2.734 1.00 33.32 H new ATOM 0 HB VAL A 88 3.564 -0.151 -4.320 1.00 10.04 H new ATOM 0 HG11 VAL A 88 2.638 -0.948 -2.154 1.00 1.52 H new ATOM 0 HG12 VAL A 88 4.340 -1.416 -2.381 1.00 1.52 H new ATOM 0 HG13 VAL A 88 3.925 -0.067 -1.297 1.00 1.52 H new ATOM 0 HG21 VAL A 88 1.743 1.116 -3.126 1.00 4.14 H new ATOM 0 HG22 VAL A 88 2.985 2.143 -2.370 1.00 4.14 H new ATOM 0 HG23 VAL A 88 2.751 2.183 -4.133 1.00 4.14 H new ATOM 1349 N GLU A 89 6.782 -0.585 -2.468 1.00 22.34 N ATOM 1350 CA GLU A 89 7.771 -1.684 -2.367 1.00 71.42 C ATOM 1351 C GLU A 89 7.435 -2.561 -1.145 1.00 52.03 C ATOM 1352 O GLU A 89 6.996 -2.040 -0.117 1.00 5.43 O ATOM 1353 CB GLU A 89 9.204 -1.101 -2.257 1.00 5.11 C ATOM 1354 CG GLU A 89 10.338 -2.153 -2.225 1.00 35.44 C ATOM 1355 CD GLU A 89 11.734 -1.518 -2.158 1.00 23.14 C ATOM 1356 OE1 GLU A 89 12.185 -1.172 -1.051 1.00 52.40 O ATOM 1357 OE2 GLU A 89 12.376 -1.331 -3.219 1.00 51.21 O ATOM 0 H GLU A 89 6.492 -0.213 -1.564 1.00 22.34 H new ATOM 0 HA GLU A 89 7.728 -2.302 -3.264 1.00 71.42 H new ATOM 0 HB2 GLU A 89 9.373 -0.432 -3.101 1.00 5.11 H new ATOM 0 HB3 GLU A 89 9.265 -0.495 -1.353 1.00 5.11 H new ATOM 0 HG2 GLU A 89 10.198 -2.805 -1.363 1.00 35.44 H new ATOM 0 HG3 GLU A 89 10.271 -2.780 -3.114 1.00 35.44 H new ATOM 1364 N GLN A 90 7.633 -3.891 -1.271 1.00 50.11 N ATOM 1365 CA GLN A 90 7.394 -4.840 -0.170 1.00 3.51 C ATOM 1366 C GLN A 90 8.631 -4.936 0.740 1.00 55.13 C ATOM 1367 O GLN A 90 9.765 -5.063 0.264 1.00 2.45 O ATOM 1368 CB GLN A 90 7.037 -6.253 -0.707 1.00 21.55 C ATOM 1369 CG GLN A 90 6.907 -7.332 0.406 1.00 45.13 C ATOM 1370 CD GLN A 90 6.560 -8.733 -0.089 1.00 61.22 C ATOM 1371 OE1 GLN A 90 6.853 -9.104 -1.224 1.00 64.12 O ATOM 1372 NE2 GLN A 90 5.970 -9.539 0.783 1.00 61.50 N ATOM 0 H GLN A 90 7.960 -4.331 -2.131 1.00 50.11 H new ATOM 0 HA GLN A 90 6.549 -4.464 0.406 1.00 3.51 H new ATOM 0 HB2 GLN A 90 6.097 -6.196 -1.257 1.00 21.55 H new ATOM 0 HB3 GLN A 90 7.803 -6.566 -1.416 1.00 21.55 H new ATOM 0 HG2 GLN A 90 7.847 -7.380 0.956 1.00 45.13 H new ATOM 0 HG3 GLN A 90 6.141 -7.013 1.112 1.00 45.13 H new ATOM 0 HE21 GLN A 90 5.740 -9.199 1.717 1.00 61.50 H new ATOM 0 HE22 GLN A 90 5.746 -10.499 0.520 1.00 61.50 H new ATOM 1381 N VAL A 91 8.369 -4.858 2.049 1.00 41.30 N ATOM 1382 CA VAL A 91 9.339 -5.107 3.131 1.00 20.31 C ATOM 1383 C VAL A 91 8.656 -5.981 4.201 1.00 3.21 C ATOM 1384 O VAL A 91 7.437 -6.127 4.195 1.00 32.42 O ATOM 1385 CB VAL A 91 9.854 -3.761 3.771 1.00 13.04 C ATOM 1386 CG1 VAL A 91 10.891 -3.055 2.867 1.00 10.13 C ATOM 1387 CG2 VAL A 91 8.674 -2.811 4.079 1.00 11.22 C ATOM 0 H VAL A 91 7.444 -4.611 2.401 1.00 41.30 H new ATOM 0 HA VAL A 91 10.209 -5.619 2.720 1.00 20.31 H new ATOM 0 HB VAL A 91 10.350 -4.018 4.707 1.00 13.04 H new ATOM 0 HG11 VAL A 91 11.221 -2.132 3.344 1.00 10.13 H new ATOM 0 HG12 VAL A 91 11.748 -3.711 2.715 1.00 10.13 H new ATOM 0 HG13 VAL A 91 10.436 -2.823 1.904 1.00 10.13 H new ATOM 0 HG21 VAL A 91 9.054 -1.889 4.520 1.00 11.22 H new ATOM 0 HG22 VAL A 91 8.143 -2.579 3.156 1.00 11.22 H new ATOM 0 HG23 VAL A 91 7.992 -3.293 4.779 1.00 11.22 H new