USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 698 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 84 MET CE :methyl 177:sc= -2.6! (180deg=-2.69!) USER MOD Set 1.2: B 84 MET CE :methyl 171:sc= -2.45! (180deg=-2.65!) USER MOD Single : A 75 THR OG1 : rot 39:sc= 0.217 USER MOD Single : A 79 SER OG : rot 70:sc= 0.213 USER MOD Single : A 86 LYS NZ :NH3+ 145:sc= 0.377 (180deg=0.0944) USER MOD Single : A 91 THR OG1 : rot 86:sc= 1.03 USER MOD Single : A 92 TYR OH : rot -29:sc= -0.782 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 143:sc= -0.774 (180deg=-2.62!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -159:sc= -0.191 (180deg=-0.798) USER MOD Single : A 103 LYS NZ :NH3+ -116:sc= -0.0707 (180deg=-0.952) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.177 F(o=-0.79,f=-0.18) USER MOD Single : B 75 THR OG1 : rot 30:sc= 0.0657 USER MOD Single : B 79 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ 139:sc= 0.563 (180deg=0.12) USER MOD Single : B 91 THR OG1 : rot 90:sc= 1.15 USER MOD Single : B 92 TYR OH : rot 180:sc= -0.734 USER MOD Single : B 95 SER OG : rot 180:sc= 0.105 USER MOD Single : B 96 LYS NZ :NH3+ 131:sc= -0.0538 (180deg=-0.359) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl -134:sc= -0.272 (180deg=-0.985) USER MOD Single : B 103 LYS NZ :NH3+ 150:sc= -0.576 (180deg=-1.69!) USER MOD Single : B 108 HIS : no HD1:sc= -0.145 X(o=-0.15,f=0.03) USER MOD Single : B 116 CYS SG : rot 81:sc= 0.874 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.531 -4.525 2.536 1.00 72.20 N ATOM 242 CA THR A 75 -12.316 -3.246 3.262 1.00 15.52 C ATOM 243 C THR A 75 -11.067 -3.323 4.189 1.00 53.02 C ATOM 244 O THR A 75 -10.505 -2.290 4.595 1.00 42.10 O ATOM 245 CB THR A 75 -13.596 -2.858 4.086 1.00 71.44 C ATOM 246 OG1 THR A 75 -14.771 -3.009 3.262 1.00 12.02 O ATOM 247 CG2 THR A 75 -13.547 -1.411 4.613 1.00 33.21 C ATOM 0 HA THR A 75 -12.131 -2.468 2.521 1.00 15.52 H new ATOM 0 HB THR A 75 -13.633 -3.528 4.945 1.00 71.44 H new ATOM 0 HG1 THR A 75 -14.677 -3.807 2.701 1.00 12.02 H new ATOM 0 HG21 THR A 75 -14.456 -1.197 5.175 1.00 33.21 H new ATOM 0 HG22 THR A 75 -12.681 -1.290 5.264 1.00 33.21 H new ATOM 0 HG23 THR A 75 -13.469 -0.720 3.773 1.00 33.21 H new ATOM 255 N ASP A 76 -10.641 -4.571 4.494 1.00 61.43 N ATOM 256 CA ASP A 76 -9.395 -4.860 5.211 1.00 62.14 C ATOM 257 C ASP A 76 -8.204 -4.204 4.491 1.00 72.21 C ATOM 258 O ASP A 76 -7.429 -3.490 5.121 1.00 31.35 O ATOM 259 CB ASP A 76 -9.169 -6.393 5.335 1.00 44.04 C ATOM 260 CG ASP A 76 -7.911 -6.751 6.159 1.00 75.41 C ATOM 261 OD1 ASP A 76 -8.010 -6.818 7.401 1.00 11.14 O ATOM 262 OD2 ASP A 76 -6.811 -6.919 5.583 1.00 41.34 O ATOM 0 H ASP A 76 -11.165 -5.409 4.242 1.00 61.43 H new ATOM 0 HA ASP A 76 -9.475 -4.445 6.216 1.00 62.14 H new ATOM 0 HB2 ASP A 76 -10.044 -6.848 5.800 1.00 44.04 H new ATOM 0 HB3 ASP A 76 -9.079 -6.824 4.338 1.00 44.04 H new ATOM 267 N LEU A 77 -8.104 -4.432 3.161 1.00 63.34 N ATOM 268 CA LEU A 77 -7.035 -3.863 2.321 1.00 55.54 C ATOM 269 C LEU A 77 -7.012 -2.329 2.404 1.00 15.15 C ATOM 270 O LEU A 77 -5.944 -1.749 2.557 1.00 34.34 O ATOM 271 CB LEU A 77 -7.182 -4.327 0.846 1.00 3.30 C ATOM 272 CG LEU A 77 -6.175 -3.696 -0.185 1.00 3.21 C ATOM 273 CD1 LEU A 77 -4.704 -3.973 0.185 1.00 34.51 C ATOM 274 CD2 LEU A 77 -6.476 -4.174 -1.606 1.00 23.51 C ATOM 0 H LEU A 77 -8.763 -5.015 2.645 1.00 63.34 H new ATOM 0 HA LEU A 77 -6.085 -4.233 2.705 1.00 55.54 H new ATOM 0 HB2 LEU A 77 -7.070 -5.411 0.815 1.00 3.30 H new ATOM 0 HB3 LEU A 77 -8.196 -4.102 0.516 1.00 3.30 H new ATOM 0 HG LEU A 77 -6.317 -2.616 -0.144 1.00 3.21 H new ATOM 0 HD11 LEU A 77 -4.050 -3.516 -0.558 1.00 34.51 H new ATOM 0 HD12 LEU A 77 -4.490 -3.550 1.166 1.00 34.51 H new ATOM 0 HD13 LEU A 77 -4.531 -5.049 0.208 1.00 34.51 H new ATOM 0 HD21 LEU A 77 -5.766 -3.723 -2.299 1.00 23.51 H new ATOM 0 HD22 LEU A 77 -6.388 -5.260 -1.651 1.00 23.51 H new ATOM 0 HD23 LEU A 77 -7.489 -3.880 -1.882 1.00 23.51 H new ATOM 286 N LEU A 78 -8.203 -1.699 2.333 1.00 41.30 N ATOM 287 CA LEU A 78 -8.349 -0.228 2.392 1.00 21.10 C ATOM 288 C LEU A 78 -7.725 0.336 3.679 1.00 54.11 C ATOM 289 O LEU A 78 -7.069 1.386 3.663 1.00 33.51 O ATOM 290 CB LEU A 78 -9.852 0.155 2.311 1.00 70.35 C ATOM 291 CG LEU A 78 -10.165 1.678 2.181 1.00 55.22 C ATOM 292 CD1 LEU A 78 -9.579 2.262 0.891 1.00 33.40 C ATOM 293 CD2 LEU A 78 -11.672 1.946 2.255 1.00 25.34 C ATOM 0 H LEU A 78 -9.089 -2.194 2.233 1.00 41.30 H new ATOM 0 HA LEU A 78 -7.821 0.206 1.543 1.00 21.10 H new ATOM 0 HB2 LEU A 78 -10.292 -0.360 1.457 1.00 70.35 H new ATOM 0 HB3 LEU A 78 -10.351 -0.223 3.203 1.00 70.35 H new ATOM 0 HG LEU A 78 -9.689 2.177 3.025 1.00 55.22 H new ATOM 0 HD11 LEU A 78 -9.816 3.324 0.832 1.00 33.40 H new ATOM 0 HD12 LEU A 78 -8.497 2.131 0.891 1.00 33.40 H new ATOM 0 HD13 LEU A 78 -10.007 1.747 0.031 1.00 33.40 H new ATOM 0 HD21 LEU A 78 -11.856 3.016 2.161 1.00 25.34 H new ATOM 0 HD22 LEU A 78 -12.176 1.419 1.445 1.00 25.34 H new ATOM 0 HD23 LEU A 78 -12.058 1.594 3.212 1.00 25.34 H new ATOM 305 N SER A 79 -7.939 -0.393 4.787 1.00 2.13 N ATOM 306 CA SER A 79 -7.383 -0.046 6.092 1.00 54.33 C ATOM 307 C SER A 79 -5.859 -0.257 6.109 1.00 22.25 C ATOM 308 O SER A 79 -5.144 0.625 6.567 1.00 24.02 O ATOM 309 CB SER A 79 -8.067 -0.877 7.189 1.00 20.12 C ATOM 310 OG SER A 79 -9.479 -0.759 7.116 1.00 50.24 O ATOM 0 H SER A 79 -8.505 -1.241 4.796 1.00 2.13 H new ATOM 0 HA SER A 79 -7.573 1.010 6.287 1.00 54.33 H new ATOM 0 HB2 SER A 79 -7.781 -1.924 7.087 1.00 20.12 H new ATOM 0 HB3 SER A 79 -7.722 -0.546 8.168 1.00 20.12 H new ATOM 0 HG SER A 79 -9.805 -1.223 6.317 1.00 50.24 H new ATOM 316 N VAL A 80 -5.385 -1.415 5.556 1.00 5.05 N ATOM 317 CA VAL A 80 -3.940 -1.777 5.487 1.00 12.50 C ATOM 318 C VAL A 80 -3.133 -0.645 4.838 1.00 63.54 C ATOM 319 O VAL A 80 -2.075 -0.270 5.337 1.00 1.02 O ATOM 320 CB VAL A 80 -3.710 -3.128 4.684 1.00 72.03 C ATOM 321 CG1 VAL A 80 -2.205 -3.417 4.420 1.00 2.12 C ATOM 322 CG2 VAL A 80 -4.357 -4.322 5.418 1.00 54.05 C ATOM 0 H VAL A 80 -5.997 -2.121 5.147 1.00 5.05 H new ATOM 0 HA VAL A 80 -3.594 -1.928 6.510 1.00 12.50 H new ATOM 0 HB VAL A 80 -4.192 -2.998 3.715 1.00 72.03 H new ATOM 0 HG11 VAL A 80 -2.105 -4.352 3.868 1.00 2.12 H new ATOM 0 HG12 VAL A 80 -1.775 -2.603 3.836 1.00 2.12 H new ATOM 0 HG13 VAL A 80 -1.678 -3.499 5.371 1.00 2.12 H new ATOM 0 HG21 VAL A 80 -4.186 -5.235 4.848 1.00 54.05 H new ATOM 0 HG22 VAL A 80 -3.914 -4.424 6.409 1.00 54.05 H new ATOM 0 HG23 VAL A 80 -5.429 -4.151 5.516 1.00 54.05 H new ATOM 332 N ILE A 81 -3.687 -0.110 3.733 1.00 35.52 N ATOM 333 CA ILE A 81 -3.128 1.022 2.990 1.00 64.23 C ATOM 334 C ILE A 81 -2.818 2.206 3.941 1.00 13.44 C ATOM 335 O ILE A 81 -1.672 2.629 4.065 1.00 12.33 O ATOM 336 CB ILE A 81 -4.115 1.467 1.837 1.00 42.44 C ATOM 337 CG1 ILE A 81 -4.361 0.307 0.809 1.00 0.24 C ATOM 338 CG2 ILE A 81 -3.619 2.736 1.125 1.00 51.04 C ATOM 339 CD1 ILE A 81 -3.115 -0.265 0.164 1.00 50.32 C ATOM 0 H ILE A 81 -4.554 -0.464 3.328 1.00 35.52 H new ATOM 0 HA ILE A 81 -2.190 0.705 2.534 1.00 64.23 H new ATOM 0 HB ILE A 81 -5.070 1.703 2.307 1.00 42.44 H new ATOM 0 HG12 ILE A 81 -4.890 -0.500 1.317 1.00 0.24 H new ATOM 0 HG13 ILE A 81 -5.020 0.675 0.023 1.00 0.24 H new ATOM 0 HG21 ILE A 81 -4.323 3.011 0.339 1.00 51.04 H new ATOM 0 HG22 ILE A 81 -3.542 3.551 1.845 1.00 51.04 H new ATOM 0 HG23 ILE A 81 -2.640 2.547 0.685 1.00 51.04 H new ATOM 0 HD11 ILE A 81 -3.395 -1.059 -0.528 1.00 50.32 H new ATOM 0 HD12 ILE A 81 -2.592 0.522 -0.379 1.00 50.32 H new ATOM 0 HD13 ILE A 81 -2.460 -0.670 0.935 1.00 50.32 H new ATOM 351 N GLU A 82 -3.850 2.662 4.659 1.00 65.34 N ATOM 352 CA GLU A 82 -3.769 3.830 5.562 1.00 55.35 C ATOM 353 C GLU A 82 -2.932 3.536 6.820 1.00 62.20 C ATOM 354 O GLU A 82 -2.332 4.456 7.398 1.00 54.42 O ATOM 355 CB GLU A 82 -5.194 4.278 5.949 1.00 63.23 C ATOM 356 CG GLU A 82 -6.088 4.556 4.727 1.00 15.41 C ATOM 357 CD GLU A 82 -7.516 4.952 5.102 1.00 51.41 C ATOM 358 OE1 GLU A 82 -8.277 4.080 5.556 1.00 71.42 O ATOM 359 OE2 GLU A 82 -7.878 6.137 4.968 1.00 25.54 O ATOM 0 H GLU A 82 -4.775 2.232 4.634 1.00 65.34 H new ATOM 0 HA GLU A 82 -3.263 4.635 5.029 1.00 55.35 H new ATOM 0 HB2 GLU A 82 -5.657 3.506 6.564 1.00 63.23 H new ATOM 0 HB3 GLU A 82 -5.133 5.178 6.560 1.00 63.23 H new ATOM 0 HG2 GLU A 82 -5.641 5.353 4.132 1.00 15.41 H new ATOM 0 HG3 GLU A 82 -6.118 3.667 4.097 1.00 15.41 H new ATOM 366 N GLU A 83 -2.895 2.253 7.233 1.00 20.12 N ATOM 367 CA GLU A 83 -2.084 1.800 8.381 1.00 13.23 C ATOM 368 C GLU A 83 -0.598 1.895 8.035 1.00 5.04 C ATOM 369 O GLU A 83 0.220 2.201 8.891 1.00 51.33 O ATOM 370 CB GLU A 83 -2.461 0.353 8.814 1.00 25.53 C ATOM 371 CG GLU A 83 -3.888 0.209 9.391 1.00 50.25 C ATOM 372 CD GLU A 83 -4.094 0.954 10.725 1.00 2.50 C ATOM 373 OE1 GLU A 83 -4.438 2.155 10.715 1.00 23.21 O ATOM 374 OE2 GLU A 83 -3.902 0.344 11.800 1.00 10.13 O ATOM 0 H GLU A 83 -3.423 1.506 6.783 1.00 20.12 H new ATOM 0 HA GLU A 83 -2.295 2.454 9.227 1.00 13.23 H new ATOM 0 HB2 GLU A 83 -2.362 -0.308 7.953 1.00 25.53 H new ATOM 0 HB3 GLU A 83 -1.744 0.012 9.561 1.00 25.53 H new ATOM 0 HG2 GLU A 83 -4.605 0.584 8.661 1.00 50.25 H new ATOM 0 HG3 GLU A 83 -4.106 -0.849 9.538 1.00 50.25 H new ATOM 381 N MET A 84 -0.267 1.647 6.761 1.00 50.23 N ATOM 382 CA MET A 84 1.086 1.847 6.238 1.00 11.34 C ATOM 383 C MET A 84 1.374 3.359 6.119 1.00 72.54 C ATOM 384 O MET A 84 2.459 3.817 6.466 1.00 5.11 O ATOM 385 CB MET A 84 1.244 1.124 4.865 1.00 55.11 C ATOM 386 CG MET A 84 1.038 -0.401 4.928 1.00 20.43 C ATOM 387 SD MET A 84 1.299 -1.241 3.347 1.00 33.00 S ATOM 388 CE MET A 84 0.228 -0.349 2.225 1.00 33.30 C ATOM 0 H MET A 84 -0.930 1.303 6.067 1.00 50.23 H new ATOM 0 HA MET A 84 1.813 1.413 6.924 1.00 11.34 H new ATOM 0 HB2 MET A 84 0.529 1.547 4.160 1.00 55.11 H new ATOM 0 HB3 MET A 84 2.240 1.329 4.471 1.00 55.11 H new ATOM 0 HG2 MET A 84 1.720 -0.820 5.668 1.00 20.43 H new ATOM 0 HG3 MET A 84 0.026 -0.607 5.275 1.00 20.43 H new ATOM 0 HE1 MET A 84 0.348 -0.744 1.216 1.00 33.30 H new ATOM 0 HE2 MET A 84 -0.809 -0.467 2.540 1.00 33.30 H new ATOM 0 HE3 MET A 84 0.492 0.709 2.234 1.00 33.30 H new ATOM 398 N GLY A 85 0.343 4.120 5.686 1.00 43.13 N ATOM 399 CA GLY A 85 0.443 5.570 5.455 1.00 13.31 C ATOM 400 C GLY A 85 0.905 6.386 6.656 1.00 71.03 C ATOM 401 O GLY A 85 1.480 7.470 6.492 1.00 40.13 O ATOM 0 H GLY A 85 -0.582 3.740 5.488 1.00 43.13 H new ATOM 0 HA2 GLY A 85 1.134 5.744 4.630 1.00 13.31 H new ATOM 0 HA3 GLY A 85 -0.532 5.940 5.138 1.00 13.31 H new ATOM 405 N LYS A 86 0.662 5.861 7.865 1.00 31.41 N ATOM 406 CA LYS A 86 1.051 6.526 9.120 1.00 12.44 C ATOM 407 C LYS A 86 2.457 6.048 9.569 1.00 34.45 C ATOM 408 O LYS A 86 3.199 6.801 10.202 1.00 60.31 O ATOM 409 CB LYS A 86 -0.008 6.245 10.224 1.00 53.53 C ATOM 410 CG LYS A 86 -0.120 4.761 10.616 1.00 1.11 C ATOM 411 CD LYS A 86 -1.222 4.471 11.659 1.00 13.44 C ATOM 412 CE LYS A 86 -1.255 2.983 12.055 1.00 22.42 C ATOM 413 NZ LYS A 86 -2.390 2.646 12.962 1.00 25.22 N ATOM 0 H LYS A 86 0.192 4.966 8.002 1.00 31.41 H new ATOM 0 HA LYS A 86 1.095 7.602 8.952 1.00 12.44 H new ATOM 0 HB2 LYS A 86 0.242 6.827 11.111 1.00 53.53 H new ATOM 0 HB3 LYS A 86 -0.981 6.594 9.878 1.00 53.53 H new ATOM 0 HG2 LYS A 86 -0.317 4.172 9.720 1.00 1.11 H new ATOM 0 HG3 LYS A 86 0.839 4.427 11.012 1.00 1.11 H new ATOM 0 HD2 LYS A 86 -1.052 5.080 12.547 1.00 13.44 H new ATOM 0 HD3 LYS A 86 -2.192 4.761 11.254 1.00 13.44 H new ATOM 0 HE2 LYS A 86 -1.325 2.374 11.153 1.00 22.42 H new ATOM 0 HE3 LYS A 86 -0.317 2.722 12.544 1.00 22.42 H new ATOM 0 HZ1 LYS A 86 -2.737 1.690 12.744 1.00 25.22 H new ATOM 0 HZ2 LYS A 86 -2.067 2.680 13.950 1.00 25.22 H new ATOM 0 HZ3 LYS A 86 -3.159 3.333 12.826 1.00 25.22 H new ATOM 427 N GLU A 87 2.809 4.787 9.218 1.00 43.24 N ATOM 428 CA GLU A 87 4.078 4.131 9.635 1.00 22.20 C ATOM 429 C GLU A 87 5.265 4.560 8.753 1.00 41.11 C ATOM 430 O GLU A 87 6.414 4.229 9.056 1.00 30.14 O ATOM 431 CB GLU A 87 3.921 2.584 9.614 1.00 51.33 C ATOM 432 CG GLU A 87 2.864 2.056 10.599 1.00 25.34 C ATOM 433 CD GLU A 87 2.676 0.533 10.536 1.00 25.43 C ATOM 434 OE1 GLU A 87 2.244 0.025 9.479 1.00 13.00 O ATOM 435 OE2 GLU A 87 2.971 -0.161 11.528 1.00 52.11 O ATOM 0 H GLU A 87 2.220 4.192 8.635 1.00 43.24 H new ATOM 0 HA GLU A 87 4.293 4.455 10.653 1.00 22.20 H new ATOM 0 HB2 GLU A 87 3.654 2.268 8.605 1.00 51.33 H new ATOM 0 HB3 GLU A 87 4.883 2.127 9.847 1.00 51.33 H new ATOM 0 HG2 GLU A 87 3.150 2.337 11.612 1.00 25.34 H new ATOM 0 HG3 GLU A 87 1.910 2.541 10.391 1.00 25.34 H new ATOM 442 N ILE A 88 4.977 5.313 7.682 1.00 14.00 N ATOM 443 CA ILE A 88 6.003 5.880 6.792 1.00 22.02 C ATOM 444 C ILE A 88 6.827 6.956 7.520 1.00 52.34 C ATOM 445 O ILE A 88 8.024 7.081 7.283 1.00 71.44 O ATOM 446 CB ILE A 88 5.342 6.486 5.502 1.00 35.31 C ATOM 447 CG1 ILE A 88 4.577 5.378 4.724 1.00 73.35 C ATOM 448 CG2 ILE A 88 6.382 7.194 4.593 1.00 3.15 C ATOM 449 CD1 ILE A 88 3.691 5.881 3.605 1.00 75.41 C ATOM 0 H ILE A 88 4.023 5.547 7.407 1.00 14.00 H new ATOM 0 HA ILE A 88 6.674 5.073 6.496 1.00 22.02 H new ATOM 0 HB ILE A 88 4.630 7.249 5.817 1.00 35.31 H new ATOM 0 HG12 ILE A 88 5.303 4.680 4.307 1.00 73.35 H new ATOM 0 HG13 ILE A 88 3.964 4.817 5.429 1.00 73.35 H new ATOM 0 HG21 ILE A 88 5.881 7.598 3.713 1.00 3.15 H new ATOM 0 HG22 ILE A 88 6.856 8.006 5.146 1.00 3.15 H new ATOM 0 HG23 ILE A 88 7.141 6.476 4.281 1.00 3.15 H new ATOM 0 HD11 ILE A 88 3.200 5.036 3.122 1.00 75.41 H new ATOM 0 HD12 ILE A 88 2.937 6.554 4.013 1.00 75.41 H new ATOM 0 HD13 ILE A 88 4.297 6.415 2.873 1.00 75.41 H new ATOM 461 N ARG A 89 6.160 7.718 8.413 1.00 54.41 N ATOM 462 CA ARG A 89 6.810 8.795 9.185 1.00 75.13 C ATOM 463 C ARG A 89 7.897 8.240 10.170 1.00 75.05 C ATOM 464 O ARG A 89 9.039 8.711 10.110 1.00 53.43 O ATOM 465 CB ARG A 89 5.751 9.687 9.900 1.00 2.22 C ATOM 466 CG ARG A 89 6.348 10.729 10.874 1.00 31.01 C ATOM 467 CD ARG A 89 5.293 11.584 11.583 1.00 43.20 C ATOM 468 NE ARG A 89 5.889 12.371 12.677 1.00 65.54 N ATOM 469 CZ ARG A 89 5.464 13.569 13.110 1.00 65.11 C ATOM 470 NH1 ARG A 89 4.425 14.177 12.542 1.00 61.51 N ATOM 471 NH2 ARG A 89 6.078 14.149 14.132 1.00 55.41 N ATOM 0 H ARG A 89 5.167 7.605 8.617 1.00 54.41 H new ATOM 0 HA ARG A 89 7.343 9.434 8.481 1.00 75.13 H new ATOM 0 HB2 ARG A 89 5.163 10.208 9.145 1.00 2.22 H new ATOM 0 HB3 ARG A 89 5.064 9.044 10.451 1.00 2.22 H new ATOM 0 HG2 ARG A 89 6.947 10.212 11.623 1.00 31.01 H new ATOM 0 HG3 ARG A 89 7.023 11.384 10.323 1.00 31.01 H new ATOM 0 HD2 ARG A 89 4.822 12.255 10.864 1.00 43.20 H new ATOM 0 HD3 ARG A 89 4.508 10.941 11.981 1.00 43.20 H new ATOM 0 HE ARG A 89 6.699 11.969 13.149 1.00 65.54 H new ATOM 0 HH11 ARG A 89 3.937 13.733 11.764 1.00 61.51 H new ATOM 0 HH12 ARG A 89 4.117 15.087 12.885 1.00 61.51 H new ATOM 0 HH21 ARG A 89 6.867 13.685 14.583 1.00 55.41 H new ATOM 0 HH22 ARG A 89 5.762 15.059 14.467 1.00 55.41 H new ATOM 485 N PRO A 90 7.591 7.252 11.106 1.00 52.42 N ATOM 486 CA PRO A 90 8.640 6.641 11.964 1.00 13.41 C ATOM 487 C PRO A 90 9.723 5.871 11.153 1.00 13.23 C ATOM 488 O PRO A 90 10.885 5.845 11.562 1.00 62.32 O ATOM 489 CB PRO A 90 7.849 5.729 12.947 1.00 63.42 C ATOM 490 CG PRO A 90 6.513 5.503 12.297 1.00 32.23 C ATOM 491 CD PRO A 90 6.233 6.745 11.480 1.00 21.21 C ATOM 0 HA PRO A 90 9.224 7.396 12.490 1.00 13.41 H new ATOM 0 HB2 PRO A 90 8.370 4.786 13.113 1.00 63.42 H new ATOM 0 HB3 PRO A 90 7.736 6.206 13.921 1.00 63.42 H new ATOM 0 HG2 PRO A 90 6.532 4.616 11.664 1.00 32.23 H new ATOM 0 HG3 PRO A 90 5.736 5.345 13.045 1.00 32.23 H new ATOM 0 HD2 PRO A 90 5.637 6.515 10.597 1.00 21.21 H new ATOM 0 HD3 PRO A 90 5.677 7.484 12.057 1.00 21.21 H new ATOM 499 N THR A 91 9.337 5.286 9.998 1.00 24.41 N ATOM 500 CA THR A 91 10.302 4.688 9.035 1.00 63.44 C ATOM 501 C THR A 91 11.300 5.758 8.547 1.00 2.44 C ATOM 502 O THR A 91 12.520 5.551 8.543 1.00 42.30 O ATOM 503 CB THR A 91 9.546 4.061 7.821 1.00 72.44 C ATOM 504 OG1 THR A 91 8.756 2.961 8.285 1.00 61.41 O ATOM 505 CG2 THR A 91 10.478 3.576 6.694 1.00 22.41 C ATOM 0 H THR A 91 8.363 5.213 9.705 1.00 24.41 H new ATOM 0 HA THR A 91 10.854 3.898 9.544 1.00 63.44 H new ATOM 0 HB THR A 91 8.925 4.848 7.393 1.00 72.44 H new ATOM 0 HG1 THR A 91 7.886 3.290 8.592 1.00 61.41 H new ATOM 0 HG21 THR A 91 9.882 3.153 5.886 1.00 22.41 H new ATOM 0 HG22 THR A 91 11.059 4.417 6.315 1.00 22.41 H new ATOM 0 HG23 THR A 91 11.154 2.815 7.083 1.00 22.41 H new ATOM 513 N TYR A 92 10.740 6.915 8.164 1.00 11.13 N ATOM 514 CA TYR A 92 11.498 8.080 7.693 1.00 54.12 C ATOM 515 C TYR A 92 12.352 8.686 8.829 1.00 13.11 C ATOM 516 O TYR A 92 13.342 9.378 8.571 1.00 63.32 O ATOM 517 CB TYR A 92 10.515 9.138 7.106 1.00 60.13 C ATOM 518 CG TYR A 92 11.217 10.354 6.495 1.00 60.10 C ATOM 519 CD1 TYR A 92 12.048 10.197 5.394 1.00 41.40 C ATOM 520 CD2 TYR A 92 11.099 11.629 7.049 1.00 32.35 C ATOM 521 CE1 TYR A 92 12.727 11.257 4.861 1.00 41.03 C ATOM 522 CE2 TYR A 92 11.791 12.696 6.520 1.00 20.25 C ATOM 523 CZ TYR A 92 12.604 12.502 5.424 1.00 71.33 C ATOM 524 OH TYR A 92 13.323 13.558 4.914 1.00 22.11 O ATOM 0 H TYR A 92 9.732 7.068 8.174 1.00 11.13 H new ATOM 0 HA TYR A 92 12.184 7.760 6.909 1.00 54.12 H new ATOM 0 HB2 TYR A 92 9.897 8.664 6.343 1.00 60.13 H new ATOM 0 HB3 TYR A 92 9.843 9.475 7.896 1.00 60.13 H new ATOM 0 HD1 TYR A 92 12.160 9.219 4.950 1.00 41.40 H new ATOM 0 HD2 TYR A 92 10.457 11.781 7.904 1.00 32.35 H new ATOM 0 HE1 TYR A 92 13.360 11.114 3.997 1.00 41.03 H new ATOM 0 HE2 TYR A 92 11.697 13.677 6.961 1.00 20.25 H new ATOM 0 HH TYR A 92 14.158 13.227 4.523 1.00 22.11 H new ATOM 534 N ALA A 93 11.965 8.412 10.085 1.00 73.23 N ATOM 535 CA ALA A 93 12.691 8.886 11.276 1.00 64.42 C ATOM 536 C ALA A 93 13.758 7.864 11.738 1.00 2.11 C ATOM 537 O ALA A 93 14.378 8.051 12.790 1.00 44.30 O ATOM 538 CB ALA A 93 11.684 9.187 12.393 1.00 4.14 C ATOM 0 H ALA A 93 11.139 7.855 10.304 1.00 73.23 H new ATOM 0 HA ALA A 93 13.227 9.801 11.022 1.00 64.42 H new ATOM 0 HB1 ALA A 93 12.216 9.538 13.277 1.00 4.14 H new ATOM 0 HB2 ALA A 93 10.988 9.957 12.058 1.00 4.14 H new ATOM 0 HB3 ALA A 93 11.131 8.280 12.638 1.00 4.14 H new ATOM 544 N GLY A 94 13.974 6.801 10.940 1.00 34.31 N ATOM 545 CA GLY A 94 15.045 5.828 11.196 1.00 55.13 C ATOM 546 C GLY A 94 14.657 4.636 12.069 1.00 33.22 C ATOM 547 O GLY A 94 15.532 3.830 12.415 1.00 5.30 O ATOM 0 H GLY A 94 13.417 6.597 10.110 1.00 34.31 H new ATOM 0 HA2 GLY A 94 15.407 5.452 10.239 1.00 55.13 H new ATOM 0 HA3 GLY A 94 15.878 6.347 11.670 1.00 55.13 H new ATOM 551 N SER A 95 13.372 4.511 12.437 1.00 31.42 N ATOM 552 CA SER A 95 12.871 3.348 13.207 1.00 14.14 C ATOM 553 C SER A 95 12.767 2.068 12.342 1.00 74.20 C ATOM 554 O SER A 95 11.910 1.973 11.456 1.00 3.45 O ATOM 555 CB SER A 95 11.502 3.683 13.838 1.00 12.14 C ATOM 556 OG SER A 95 11.595 4.837 14.652 1.00 64.23 O ATOM 0 H SER A 95 12.654 5.201 12.215 1.00 31.42 H new ATOM 0 HA SER A 95 13.595 3.142 13.995 1.00 14.14 H new ATOM 0 HB2 SER A 95 10.764 3.845 13.052 1.00 12.14 H new ATOM 0 HB3 SER A 95 11.154 2.839 14.434 1.00 12.14 H new ATOM 0 HG SER A 95 10.718 5.034 15.041 1.00 64.23 H new ATOM 562 N LYS A 96 13.685 1.107 12.601 1.00 73.11 N ATOM 563 CA LYS A 96 13.681 -0.244 11.983 1.00 62.43 C ATOM 564 C LYS A 96 12.400 -1.037 12.309 1.00 51.15 C ATOM 565 O LYS A 96 11.979 -1.883 11.517 1.00 34.30 O ATOM 566 CB LYS A 96 14.934 -1.051 12.437 1.00 54.34 C ATOM 567 CG LYS A 96 15.078 -1.213 13.975 1.00 14.10 C ATOM 568 CD LYS A 96 16.328 -2.024 14.423 1.00 61.11 C ATOM 569 CE LYS A 96 16.215 -3.553 14.201 1.00 73.24 C ATOM 570 NZ LYS A 96 16.186 -3.949 12.766 1.00 4.23 N ATOM 0 H LYS A 96 14.458 1.248 13.251 1.00 73.11 H new ATOM 0 HA LYS A 96 13.709 -0.099 10.903 1.00 62.43 H new ATOM 0 HB2 LYS A 96 14.896 -2.041 11.983 1.00 54.34 H new ATOM 0 HB3 LYS A 96 15.826 -0.558 12.052 1.00 54.34 H new ATOM 0 HG2 LYS A 96 15.120 -0.223 14.430 1.00 14.10 H new ATOM 0 HG3 LYS A 96 14.185 -1.703 14.361 1.00 14.10 H new ATOM 0 HD2 LYS A 96 17.199 -1.654 13.881 1.00 61.11 H new ATOM 0 HD3 LYS A 96 16.508 -1.836 15.481 1.00 61.11 H new ATOM 0 HE2 LYS A 96 17.057 -4.045 14.688 1.00 73.24 H new ATOM 0 HE3 LYS A 96 15.309 -3.916 14.687 1.00 73.24 H new ATOM 0 HZ1 LYS A 96 16.712 -4.837 12.640 1.00 4.23 H new ATOM 0 HZ2 LYS A 96 15.200 -4.084 12.463 1.00 4.23 H new ATOM 0 HZ3 LYS A 96 16.625 -3.202 12.191 1.00 4.23 H new ATOM 584 N SER A 97 11.808 -0.759 13.485 1.00 64.41 N ATOM 585 CA SER A 97 10.569 -1.406 13.938 1.00 72.44 C ATOM 586 C SER A 97 9.401 -1.069 12.993 1.00 11.53 C ATOM 587 O SER A 97 8.702 -1.965 12.499 1.00 62.53 O ATOM 588 CB SER A 97 10.258 -0.968 15.384 1.00 21.43 C ATOM 589 OG SER A 97 10.256 0.446 15.503 1.00 14.40 O ATOM 0 H SER A 97 12.178 -0.077 14.147 1.00 64.41 H new ATOM 0 HA SER A 97 10.703 -2.488 13.920 1.00 72.44 H new ATOM 0 HB2 SER A 97 9.288 -1.362 15.685 1.00 21.43 H new ATOM 0 HB3 SER A 97 10.999 -1.392 16.062 1.00 21.43 H new ATOM 0 HG SER A 97 10.055 0.696 16.429 1.00 14.40 H new ATOM 595 N ALA A 98 9.226 0.238 12.735 1.00 34.50 N ATOM 596 CA ALA A 98 8.189 0.757 11.833 1.00 21.13 C ATOM 597 C ALA A 98 8.469 0.387 10.374 1.00 45.41 C ATOM 598 O ALA A 98 7.540 0.125 9.622 1.00 4.34 O ATOM 599 CB ALA A 98 8.086 2.275 11.982 1.00 73.32 C ATOM 0 H ALA A 98 9.805 0.968 13.150 1.00 34.50 H new ATOM 0 HA ALA A 98 7.241 0.297 12.112 1.00 21.13 H new ATOM 0 HB1 ALA A 98 7.316 2.655 11.311 1.00 73.32 H new ATOM 0 HB2 ALA A 98 7.825 2.523 13.011 1.00 73.32 H new ATOM 0 HB3 ALA A 98 9.043 2.731 11.730 1.00 73.32 H new ATOM 605 N MET A 99 9.761 0.379 10.004 1.00 71.03 N ATOM 606 CA MET A 99 10.220 0.074 8.636 1.00 50.44 C ATOM 607 C MET A 99 9.894 -1.373 8.248 1.00 55.43 C ATOM 608 O MET A 99 9.395 -1.630 7.147 1.00 61.02 O ATOM 609 CB MET A 99 11.745 0.356 8.531 1.00 54.02 C ATOM 610 CG MET A 99 12.379 0.102 7.147 1.00 43.15 C ATOM 611 SD MET A 99 12.642 -1.643 6.770 1.00 62.04 S ATOM 612 CE MET A 99 13.781 -2.142 8.064 1.00 51.03 C ATOM 0 H MET A 99 10.523 0.585 10.650 1.00 71.03 H new ATOM 0 HA MET A 99 9.691 0.717 7.933 1.00 50.44 H new ATOM 0 HB2 MET A 99 11.923 1.395 8.807 1.00 54.02 H new ATOM 0 HB3 MET A 99 12.261 -0.262 9.266 1.00 54.02 H new ATOM 0 HG2 MET A 99 11.738 0.536 6.380 1.00 43.15 H new ATOM 0 HG3 MET A 99 13.335 0.622 7.096 1.00 43.15 H new ATOM 0 HE1 MET A 99 14.308 -3.045 7.756 1.00 51.03 H new ATOM 0 HE2 MET A 99 14.502 -1.344 8.242 1.00 51.03 H new ATOM 0 HE3 MET A 99 13.226 -2.341 8.981 1.00 51.03 H new ATOM 622 N GLU A 100 10.179 -2.310 9.170 1.00 73.42 N ATOM 623 CA GLU A 100 9.922 -3.744 8.967 1.00 1.21 C ATOM 624 C GLU A 100 8.411 -4.006 8.884 1.00 71.33 C ATOM 625 O GLU A 100 7.961 -4.814 8.076 1.00 23.24 O ATOM 626 CB GLU A 100 10.538 -4.570 10.120 1.00 24.54 C ATOM 627 CG GLU A 100 10.466 -6.102 9.925 1.00 43.30 C ATOM 628 CD GLU A 100 10.940 -6.886 11.159 1.00 62.15 C ATOM 629 OE1 GLU A 100 12.168 -7.000 11.372 1.00 4.24 O ATOM 630 OE2 GLU A 100 10.088 -7.382 11.925 1.00 24.43 O ATOM 0 H GLU A 100 10.594 -2.093 10.076 1.00 73.42 H new ATOM 0 HA GLU A 100 10.386 -4.049 8.029 1.00 1.21 H new ATOM 0 HB2 GLU A 100 11.582 -4.281 10.239 1.00 24.54 H new ATOM 0 HB3 GLU A 100 10.028 -4.311 11.048 1.00 24.54 H new ATOM 0 HG2 GLU A 100 9.439 -6.386 9.693 1.00 43.30 H new ATOM 0 HG3 GLU A 100 11.076 -6.383 9.066 1.00 43.30 H new ATOM 637 N ARG A 101 7.647 -3.286 9.724 1.00 44.24 N ATOM 638 CA ARG A 101 6.179 -3.403 9.785 1.00 42.14 C ATOM 639 C ARG A 101 5.562 -2.794 8.502 1.00 14.12 C ATOM 640 O ARG A 101 4.566 -3.304 7.982 1.00 23.44 O ATOM 641 CB ARG A 101 5.637 -2.710 11.083 1.00 50.32 C ATOM 642 CG ARG A 101 4.367 -3.355 11.708 1.00 43.03 C ATOM 643 CD ARG A 101 3.130 -3.343 10.789 1.00 72.53 C ATOM 644 NE ARG A 101 1.920 -3.846 11.462 1.00 71.12 N ATOM 645 CZ ARG A 101 0.718 -3.251 11.440 1.00 15.42 C ATOM 646 NH1 ARG A 101 0.530 -2.104 10.780 1.00 74.14 N ATOM 647 NH2 ARG A 101 -0.291 -3.802 12.084 1.00 23.53 N ATOM 0 H ARG A 101 8.030 -2.606 10.380 1.00 44.24 H new ATOM 0 HA ARG A 101 5.890 -4.453 9.833 1.00 42.14 H new ATOM 0 HB2 ARG A 101 6.429 -2.711 11.832 1.00 50.32 H new ATOM 0 HB3 ARG A 101 5.417 -1.668 10.852 1.00 50.32 H new ATOM 0 HG2 ARG A 101 4.594 -4.386 11.979 1.00 43.03 H new ATOM 0 HG3 ARG A 101 4.124 -2.829 12.631 1.00 43.03 H new ATOM 0 HD2 ARG A 101 2.951 -2.326 10.440 1.00 72.53 H new ATOM 0 HD3 ARG A 101 3.331 -3.952 9.907 1.00 72.53 H new ATOM 0 HE ARG A 101 2.003 -4.717 11.987 1.00 71.12 H new ATOM 0 HH11 ARG A 101 1.307 -1.668 10.283 1.00 74.14 H new ATOM 0 HH12 ARG A 101 -0.390 -1.664 10.773 1.00 74.14 H new ATOM 0 HH21 ARG A 101 -0.155 -4.675 12.594 1.00 23.53 H new ATOM 0 HH22 ARG A 101 -1.208 -3.356 12.072 1.00 23.53 H new ATOM 661 N LEU A 102 6.200 -1.730 7.995 1.00 1.51 N ATOM 662 CA LEU A 102 5.772 -1.025 6.781 1.00 61.25 C ATOM 663 C LEU A 102 5.930 -1.947 5.558 1.00 14.44 C ATOM 664 O LEU A 102 5.004 -2.087 4.759 1.00 53.22 O ATOM 665 CB LEU A 102 6.601 0.281 6.607 1.00 64.10 C ATOM 666 CG LEU A 102 6.146 1.249 5.471 1.00 73.52 C ATOM 667 CD1 LEU A 102 4.702 1.697 5.676 1.00 4.34 C ATOM 668 CD2 LEU A 102 7.080 2.466 5.363 1.00 10.21 C ATOM 0 H LEU A 102 7.036 -1.331 8.421 1.00 1.51 H new ATOM 0 HA LEU A 102 4.720 -0.752 6.871 1.00 61.25 H new ATOM 0 HB2 LEU A 102 6.579 0.827 7.550 1.00 64.10 H new ATOM 0 HB3 LEU A 102 7.639 0.004 6.424 1.00 64.10 H new ATOM 0 HG LEU A 102 6.202 0.698 4.532 1.00 73.52 H new ATOM 0 HD11 LEU A 102 4.412 2.371 4.870 1.00 4.34 H new ATOM 0 HD12 LEU A 102 4.047 0.826 5.674 1.00 4.34 H new ATOM 0 HD13 LEU A 102 4.614 2.215 6.631 1.00 4.34 H new ATOM 0 HD21 LEU A 102 6.735 3.120 4.562 1.00 10.21 H new ATOM 0 HD22 LEU A 102 7.075 3.013 6.306 1.00 10.21 H new ATOM 0 HD23 LEU A 102 8.093 2.129 5.144 1.00 10.21 H new ATOM 680 N LYS A 103 7.112 -2.600 5.452 1.00 72.53 N ATOM 681 CA LYS A 103 7.414 -3.556 4.370 1.00 42.40 C ATOM 682 C LYS A 103 6.526 -4.809 4.471 1.00 41.24 C ATOM 683 O LYS A 103 6.050 -5.313 3.458 1.00 21.53 O ATOM 684 CB LYS A 103 8.909 -3.970 4.380 1.00 21.44 C ATOM 685 CG LYS A 103 9.918 -2.825 4.158 1.00 3.54 C ATOM 686 CD LYS A 103 11.355 -3.291 3.790 1.00 40.30 C ATOM 687 CE LYS A 103 12.038 -4.187 4.855 1.00 75.12 C ATOM 688 NZ LYS A 103 11.593 -5.606 4.799 1.00 21.43 N ATOM 0 H LYS A 103 7.878 -2.477 6.114 1.00 72.53 H new ATOM 0 HA LYS A 103 7.201 -3.050 3.428 1.00 42.40 H new ATOM 0 HB2 LYS A 103 9.130 -4.445 5.336 1.00 21.44 H new ATOM 0 HB3 LYS A 103 9.064 -4.723 3.607 1.00 21.44 H new ATOM 0 HG2 LYS A 103 9.545 -2.179 3.363 1.00 3.54 H new ATOM 0 HG3 LYS A 103 9.967 -2.221 5.064 1.00 3.54 H new ATOM 0 HD2 LYS A 103 11.315 -3.837 2.847 1.00 40.30 H new ATOM 0 HD3 LYS A 103 11.976 -2.411 3.623 1.00 40.30 H new ATOM 0 HE2 LYS A 103 13.118 -4.146 4.716 1.00 75.12 H new ATOM 0 HE3 LYS A 103 11.828 -3.786 5.847 1.00 75.12 H new ATOM 0 HZ1 LYS A 103 11.101 -5.851 5.682 1.00 21.43 H new ATOM 0 HZ2 LYS A 103 10.946 -5.735 3.995 1.00 21.43 H new ATOM 0 HZ3 LYS A 103 12.420 -6.225 4.680 1.00 21.43 H new ATOM 702 N ARG A 104 6.322 -5.296 5.712 1.00 62.22 N ATOM 703 CA ARG A 104 5.430 -6.435 6.015 1.00 64.43 C ATOM 704 C ARG A 104 3.992 -6.091 5.589 1.00 13.21 C ATOM 705 O ARG A 104 3.235 -6.955 5.132 1.00 4.21 O ATOM 706 CB ARG A 104 5.494 -6.756 7.537 1.00 33.21 C ATOM 707 CG ARG A 104 4.621 -7.942 8.001 1.00 14.34 C ATOM 708 CD ARG A 104 4.675 -8.167 9.522 1.00 44.44 C ATOM 709 NE ARG A 104 3.679 -9.165 9.967 1.00 1.04 N ATOM 710 CZ ARG A 104 3.897 -10.163 10.846 1.00 74.14 C ATOM 711 NH1 ARG A 104 5.094 -10.337 11.412 1.00 45.35 N ATOM 712 NH2 ARG A 104 2.902 -10.979 11.167 1.00 72.31 N ATOM 0 H ARG A 104 6.775 -4.907 6.539 1.00 62.22 H new ATOM 0 HA ARG A 104 5.754 -7.316 5.461 1.00 64.43 H new ATOM 0 HB2 ARG A 104 6.530 -6.963 7.804 1.00 33.21 H new ATOM 0 HB3 ARG A 104 5.194 -5.867 8.092 1.00 33.21 H new ATOM 0 HG2 ARG A 104 3.588 -7.765 7.702 1.00 14.34 H new ATOM 0 HG3 ARG A 104 4.949 -8.849 7.493 1.00 14.34 H new ATOM 0 HD2 ARG A 104 5.674 -8.500 9.805 1.00 44.44 H new ATOM 0 HD3 ARG A 104 4.497 -7.222 10.035 1.00 44.44 H new ATOM 0 HE ARG A 104 2.741 -9.091 9.573 1.00 1.04 H new ATOM 0 HH11 ARG A 104 5.863 -9.708 11.181 1.00 45.35 H new ATOM 0 HH12 ARG A 104 5.239 -11.098 12.075 1.00 45.35 H new ATOM 0 HH21 ARG A 104 1.981 -10.849 10.749 1.00 72.31 H new ATOM 0 HH22 ARG A 104 3.058 -11.737 11.831 1.00 72.31 H new ATOM 726 N GLY A 105 3.647 -4.803 5.746 1.00 50.25 N ATOM 727 CA GLY A 105 2.375 -4.272 5.305 1.00 23.24 C ATOM 728 C GLY A 105 2.228 -4.312 3.801 1.00 12.22 C ATOM 729 O GLY A 105 1.151 -4.604 3.309 1.00 25.40 O ATOM 0 H GLY A 105 4.253 -4.110 6.185 1.00 50.25 H new ATOM 0 HA2 GLY A 105 1.567 -4.843 5.762 1.00 23.24 H new ATOM 0 HA3 GLY A 105 2.274 -3.243 5.651 1.00 23.24 H new ATOM 733 N ILE A 106 3.324 -3.998 3.075 1.00 22.50 N ATOM 734 CA ILE A 106 3.372 -4.072 1.606 1.00 21.35 C ATOM 735 C ILE A 106 3.237 -5.539 1.120 1.00 13.11 C ATOM 736 O ILE A 106 2.571 -5.800 0.115 1.00 12.15 O ATOM 737 CB ILE A 106 4.692 -3.371 1.033 1.00 12.05 C ATOM 738 CG1 ILE A 106 4.451 -1.855 0.711 1.00 23.15 C ATOM 739 CG2 ILE A 106 5.282 -4.086 -0.213 1.00 75.42 C ATOM 740 CD1 ILE A 106 4.180 -0.959 1.895 1.00 21.21 C ATOM 0 H ILE A 106 4.199 -3.686 3.496 1.00 22.50 H new ATOM 0 HA ILE A 106 2.520 -3.519 1.211 1.00 21.35 H new ATOM 0 HB ILE A 106 5.428 -3.455 1.832 1.00 12.05 H new ATOM 0 HG12 ILE A 106 5.326 -1.473 0.185 1.00 23.15 H new ATOM 0 HG13 ILE A 106 3.608 -1.780 0.024 1.00 23.15 H new ATOM 0 HG21 ILE A 106 6.174 -3.557 -0.547 1.00 75.42 H new ATOM 0 HG22 ILE A 106 5.544 -5.112 0.046 1.00 75.42 H new ATOM 0 HG23 ILE A 106 4.542 -4.092 -1.014 1.00 75.42 H new ATOM 0 HD11 ILE A 106 4.029 0.064 1.550 1.00 21.21 H new ATOM 0 HD12 ILE A 106 3.285 -1.303 2.414 1.00 21.21 H new ATOM 0 HD13 ILE A 106 5.030 -0.991 2.577 1.00 21.21 H new ATOM 752 N ILE A 107 3.870 -6.490 1.835 1.00 64.34 N ATOM 753 CA ILE A 107 3.814 -7.929 1.477 1.00 71.22 C ATOM 754 C ILE A 107 2.363 -8.451 1.633 1.00 14.33 C ATOM 755 O ILE A 107 1.846 -9.159 0.758 1.00 51.31 O ATOM 756 CB ILE A 107 4.830 -8.782 2.342 1.00 62.34 C ATOM 757 CG1 ILE A 107 6.283 -8.222 2.177 1.00 32.11 C ATOM 758 CG2 ILE A 107 4.776 -10.284 1.960 1.00 22.21 C ATOM 759 CD1 ILE A 107 7.346 -8.881 3.048 1.00 42.44 C ATOM 0 H ILE A 107 4.428 -6.291 2.666 1.00 64.34 H new ATOM 0 HA ILE A 107 4.115 -8.040 0.435 1.00 71.22 H new ATOM 0 HB ILE A 107 4.537 -8.698 3.388 1.00 62.34 H new ATOM 0 HG12 ILE A 107 6.578 -8.328 1.133 1.00 32.11 H new ATOM 0 HG13 ILE A 107 6.269 -7.155 2.397 1.00 32.11 H new ATOM 0 HG21 ILE A 107 5.485 -10.841 2.572 1.00 22.21 H new ATOM 0 HG22 ILE A 107 3.770 -10.667 2.131 1.00 22.21 H new ATOM 0 HG23 ILE A 107 5.035 -10.401 0.908 1.00 22.21 H new ATOM 0 HD11 ILE A 107 8.314 -8.418 2.854 1.00 42.44 H new ATOM 0 HD12 ILE A 107 7.086 -8.753 4.099 1.00 42.44 H new ATOM 0 HD13 ILE A 107 7.400 -9.944 2.815 1.00 42.44 H new ATOM 771 N HIS A 108 1.720 -8.029 2.739 1.00 42.54 N ATOM 772 CA HIS A 108 0.308 -8.340 3.035 1.00 74.34 C ATOM 773 C HIS A 108 -0.632 -7.646 2.030 1.00 10.00 C ATOM 774 O HIS A 108 -1.568 -8.265 1.531 1.00 22.51 O ATOM 775 CB HIS A 108 -0.052 -7.915 4.485 1.00 2.21 C ATOM 776 CG HIS A 108 -1.453 -8.289 4.925 1.00 1.03 C ATOM 777 ND1 HIS A 108 -2.105 -9.478 4.893 1.00 71.22 N flip ATOM 778 CD2 HIS A 108 -2.333 -7.397 5.504 1.00 5.32 C flip ATOM 779 CE1 HIS A 108 -3.343 -9.279 5.439 1.00 33.41 C flip ATOM 780 NE2 HIS A 108 -3.460 -8.019 5.797 1.00 0.20 N flip ATOM 0 H HIS A 108 2.168 -7.459 3.456 1.00 42.54 H new ATOM 0 HA HIS A 108 0.175 -9.418 2.942 1.00 74.34 H new ATOM 0 HB2 HIS A 108 0.663 -8.370 5.171 1.00 2.21 H new ATOM 0 HB3 HIS A 108 0.065 -6.835 4.572 1.00 2.21 H new ATOM 0 HD2 HIS A 108 -2.131 -6.352 5.689 1.00 5.32 H new ATOM 0 HE1 HIS A 108 -4.104 -10.036 5.557 1.00 33.41 H new ATOM 0 HE2 HIS A 108 -4.281 -7.595 6.228 1.00 0.20 H new ATOM 789 N ALA A 109 -0.349 -6.365 1.735 1.00 22.12 N ATOM 790 CA ALA A 109 -1.207 -5.525 0.888 1.00 4.34 C ATOM 791 C ALA A 109 -1.231 -6.034 -0.553 1.00 64.52 C ATOM 792 O ALA A 109 -2.290 -6.141 -1.136 1.00 12.24 O ATOM 793 CB ALA A 109 -0.755 -4.060 0.931 1.00 23.43 C ATOM 0 H ALA A 109 0.483 -5.885 2.079 1.00 22.12 H new ATOM 0 HA ALA A 109 -2.220 -5.584 1.285 1.00 4.34 H new ATOM 0 HB1 ALA A 109 -1.406 -3.460 0.296 1.00 23.43 H new ATOM 0 HB2 ALA A 109 -0.808 -3.693 1.956 1.00 23.43 H new ATOM 0 HB3 ALA A 109 0.271 -3.985 0.572 1.00 23.43 H new ATOM 799 N ARG A 110 -0.050 -6.392 -1.094 1.00 25.44 N ATOM 800 CA ARG A 110 0.097 -6.871 -2.485 1.00 61.11 C ATOM 801 C ARG A 110 -0.546 -8.261 -2.626 1.00 4.41 C ATOM 802 O ARG A 110 -1.062 -8.608 -3.690 1.00 72.50 O ATOM 803 CB ARG A 110 1.608 -6.882 -2.885 1.00 62.41 C ATOM 804 CG ARG A 110 1.926 -7.020 -4.406 1.00 3.55 C ATOM 805 CD ARG A 110 1.942 -8.472 -4.923 1.00 74.14 C ATOM 806 NE ARG A 110 3.025 -9.262 -4.310 1.00 51.24 N ATOM 807 CZ ARG A 110 2.893 -10.495 -3.798 1.00 32.05 C ATOM 808 NH1 ARG A 110 1.711 -11.112 -3.799 1.00 60.02 N ATOM 809 NH2 ARG A 110 3.944 -11.100 -3.281 1.00 32.32 N ATOM 0 H ARG A 110 0.830 -6.358 -0.580 1.00 25.44 H new ATOM 0 HA ARG A 110 -0.420 -6.196 -3.167 1.00 61.11 H new ATOM 0 HB2 ARG A 110 2.063 -5.960 -2.524 1.00 62.41 H new ATOM 0 HB3 ARG A 110 2.094 -7.704 -2.359 1.00 62.41 H new ATOM 0 HG2 ARG A 110 1.187 -6.453 -4.972 1.00 3.55 H new ATOM 0 HG3 ARG A 110 2.897 -6.566 -4.605 1.00 3.55 H new ATOM 0 HD2 ARG A 110 0.983 -8.944 -4.710 1.00 74.14 H new ATOM 0 HD3 ARG A 110 2.062 -8.470 -6.006 1.00 74.14 H new ATOM 0 HE ARG A 110 3.951 -8.836 -4.272 1.00 51.24 H new ATOM 0 HH11 ARG A 110 0.893 -10.647 -4.192 1.00 60.02 H new ATOM 0 HH12 ARG A 110 1.625 -12.049 -3.406 1.00 60.02 H new ATOM 0 HH21 ARG A 110 4.850 -10.631 -3.272 1.00 32.32 H new ATOM 0 HH22 ARG A 110 3.852 -12.037 -2.890 1.00 32.32 H new ATOM 823 N ALA A 111 -0.514 -9.039 -1.529 1.00 52.22 N ATOM 824 CA ALA A 111 -1.141 -10.365 -1.469 1.00 23.02 C ATOM 825 C ALA A 111 -2.670 -10.224 -1.495 1.00 21.41 C ATOM 826 O ALA A 111 -3.356 -11.017 -2.142 1.00 33.35 O ATOM 827 CB ALA A 111 -0.680 -11.115 -0.217 1.00 15.25 C ATOM 0 H ALA A 111 -0.053 -8.764 -0.662 1.00 52.22 H new ATOM 0 HA ALA A 111 -0.835 -10.944 -2.340 1.00 23.02 H new ATOM 0 HB1 ALA A 111 -1.153 -12.096 -0.186 1.00 15.25 H new ATOM 0 HB2 ALA A 111 0.403 -11.235 -0.243 1.00 15.25 H new ATOM 0 HB3 ALA A 111 -0.961 -10.548 0.671 1.00 15.25 H new ATOM 833 N LEU A 112 -3.172 -9.178 -0.804 1.00 61.45 N ATOM 834 CA LEU A 112 -4.603 -8.837 -0.771 1.00 73.43 C ATOM 835 C LEU A 112 -5.074 -8.387 -2.160 1.00 3.42 C ATOM 836 O LEU A 112 -6.048 -8.926 -2.666 1.00 11.53 O ATOM 837 CB LEU A 112 -4.892 -7.733 0.281 1.00 71.44 C ATOM 838 CG LEU A 112 -4.785 -8.163 1.771 1.00 51.31 C ATOM 839 CD1 LEU A 112 -4.910 -6.948 2.700 1.00 51.11 C ATOM 840 CD2 LEU A 112 -5.835 -9.237 2.120 1.00 42.24 C ATOM 0 H LEU A 112 -2.591 -8.547 -0.253 1.00 61.45 H new ATOM 0 HA LEU A 112 -5.157 -9.730 -0.482 1.00 73.43 H new ATOM 0 HB2 LEU A 112 -4.200 -6.908 0.112 1.00 71.44 H new ATOM 0 HB3 LEU A 112 -5.896 -7.347 0.107 1.00 71.44 H new ATOM 0 HG LEU A 112 -3.800 -8.604 1.921 1.00 51.31 H new ATOM 0 HD11 LEU A 112 -4.832 -7.274 3.737 1.00 51.11 H new ATOM 0 HD12 LEU A 112 -4.111 -6.239 2.481 1.00 51.11 H new ATOM 0 HD13 LEU A 112 -5.875 -6.467 2.542 1.00 51.11 H new ATOM 0 HD21 LEU A 112 -5.735 -9.517 3.169 1.00 42.24 H new ATOM 0 HD22 LEU A 112 -6.835 -8.839 1.945 1.00 42.24 H new ATOM 0 HD23 LEU A 112 -5.679 -10.115 1.494 1.00 42.24 H new ATOM 852 N VAL A 113 -4.344 -7.416 -2.772 1.00 2.44 N ATOM 853 CA VAL A 113 -4.651 -6.889 -4.125 1.00 23.24 C ATOM 854 C VAL A 113 -4.659 -8.034 -5.151 1.00 45.10 C ATOM 855 O VAL A 113 -5.471 -8.045 -6.050 1.00 41.33 O ATOM 856 CB VAL A 113 -3.628 -5.781 -4.606 1.00 14.54 C ATOM 857 CG1 VAL A 113 -4.030 -5.190 -5.981 1.00 20.12 C ATOM 858 CG2 VAL A 113 -3.475 -4.645 -3.577 1.00 13.34 C ATOM 0 H VAL A 113 -3.529 -6.979 -2.341 1.00 2.44 H new ATOM 0 HA VAL A 113 -5.635 -6.425 -4.056 1.00 23.24 H new ATOM 0 HB VAL A 113 -2.665 -6.281 -4.707 1.00 14.54 H new ATOM 0 HG11 VAL A 113 -3.304 -4.433 -6.278 1.00 20.12 H new ATOM 0 HG12 VAL A 113 -4.051 -5.985 -6.727 1.00 20.12 H new ATOM 0 HG13 VAL A 113 -5.018 -4.736 -5.907 1.00 20.12 H new ATOM 0 HG21 VAL A 113 -2.763 -3.909 -3.951 1.00 13.34 H new ATOM 0 HG22 VAL A 113 -4.441 -4.167 -3.417 1.00 13.34 H new ATOM 0 HG23 VAL A 113 -3.112 -5.054 -2.634 1.00 13.34 H new ATOM 868 N ARG A 114 -3.739 -8.997 -4.963 1.00 73.13 N ATOM 869 CA ARG A 114 -3.611 -10.196 -5.808 1.00 65.20 C ATOM 870 C ARG A 114 -4.898 -11.052 -5.731 1.00 51.51 C ATOM 871 O ARG A 114 -5.520 -11.342 -6.758 1.00 63.53 O ATOM 872 CB ARG A 114 -2.356 -11.001 -5.357 1.00 3.43 C ATOM 873 CG ARG A 114 -2.075 -12.335 -6.089 1.00 14.12 C ATOM 874 CD ARG A 114 -1.847 -12.187 -7.616 1.00 4.10 C ATOM 875 NE ARG A 114 -3.100 -12.040 -8.384 1.00 63.22 N ATOM 876 CZ ARG A 114 -3.934 -13.052 -8.714 1.00 41.32 C ATOM 877 NH1 ARG A 114 -3.677 -14.308 -8.356 1.00 13.45 N ATOM 878 NH2 ARG A 114 -5.033 -12.790 -9.396 1.00 42.13 N ATOM 0 H ARG A 114 -3.054 -8.963 -4.208 1.00 73.13 H new ATOM 0 HA ARG A 114 -3.482 -9.904 -6.850 1.00 65.20 H new ATOM 0 HB2 ARG A 114 -1.482 -10.360 -5.475 1.00 3.43 H new ATOM 0 HB3 ARG A 114 -2.455 -11.213 -4.292 1.00 3.43 H new ATOM 0 HG2 ARG A 114 -1.195 -12.802 -5.645 1.00 14.12 H new ATOM 0 HG3 ARG A 114 -2.913 -13.012 -5.922 1.00 14.12 H new ATOM 0 HD2 ARG A 114 -1.213 -11.319 -7.799 1.00 4.10 H new ATOM 0 HD3 ARG A 114 -1.306 -13.060 -7.981 1.00 4.10 H new ATOM 0 HE ARG A 114 -3.356 -11.101 -8.690 1.00 63.22 H new ATOM 0 HH11 ARG A 114 -2.836 -14.524 -7.821 1.00 13.45 H new ATOM 0 HH12 ARG A 114 -4.321 -15.055 -8.617 1.00 13.45 H new ATOM 0 HH21 ARG A 114 -5.247 -11.831 -9.670 1.00 42.13 H new ATOM 0 HH22 ARG A 114 -5.668 -13.547 -9.650 1.00 42.13 H new ATOM 1319 N THR B 75 -4.923 -3.585 -11.485 1.00 55.51 N ATOM 1320 CA THR B 75 -3.588 -4.223 -11.639 1.00 32.41 C ATOM 1321 C THR B 75 -2.484 -3.181 -11.383 1.00 13.24 C ATOM 1322 O THR B 75 -1.381 -3.511 -10.920 1.00 45.14 O ATOM 1323 CB THR B 75 -3.427 -4.856 -13.071 1.00 64.22 C ATOM 1324 OG1 THR B 75 -4.466 -5.818 -13.289 1.00 1.11 O ATOM 1325 CG2 THR B 75 -2.066 -5.541 -13.286 1.00 12.30 C ATOM 0 HA THR B 75 -3.499 -5.027 -10.908 1.00 32.41 H new ATOM 0 HB THR B 75 -3.493 -4.033 -13.783 1.00 64.22 H new ATOM 0 HG1 THR B 75 -5.264 -5.558 -12.782 1.00 1.11 H new ATOM 0 HG21 THR B 75 -2.022 -5.956 -14.293 1.00 12.30 H new ATOM 0 HG22 THR B 75 -1.267 -4.811 -13.159 1.00 12.30 H new ATOM 0 HG23 THR B 75 -1.943 -6.343 -12.558 1.00 12.30 H new ATOM 1333 N ASP B 76 -2.830 -1.909 -11.678 1.00 64.33 N ATOM 1334 CA ASP B 76 -2.015 -0.739 -11.344 1.00 4.04 C ATOM 1335 C ASP B 76 -1.668 -0.753 -9.850 1.00 31.01 C ATOM 1336 O ASP B 76 -0.502 -0.584 -9.492 1.00 54.33 O ATOM 1337 CB ASP B 76 -2.759 0.567 -11.722 1.00 23.15 C ATOM 1338 CG ASP B 76 -1.973 1.845 -11.370 1.00 3.50 C ATOM 1339 OD1 ASP B 76 -1.107 2.264 -12.165 1.00 0.21 O ATOM 1340 OD2 ASP B 76 -2.198 2.420 -10.292 1.00 61.34 O ATOM 0 H ASP B 76 -3.696 -1.672 -12.161 1.00 64.33 H new ATOM 0 HA ASP B 76 -1.089 -0.779 -11.918 1.00 4.04 H new ATOM 0 HB2 ASP B 76 -2.967 0.561 -12.792 1.00 23.15 H new ATOM 0 HB3 ASP B 76 -3.721 0.589 -11.210 1.00 23.15 H new ATOM 1345 N LEU B 77 -2.689 -1.012 -8.998 1.00 21.30 N ATOM 1346 CA LEU B 77 -2.521 -1.048 -7.539 1.00 1.03 C ATOM 1347 C LEU B 77 -1.528 -2.130 -7.102 1.00 54.44 C ATOM 1348 O LEU B 77 -0.701 -1.874 -6.228 1.00 75.35 O ATOM 1349 CB LEU B 77 -3.873 -1.253 -6.808 1.00 71.31 C ATOM 1350 CG LEU B 77 -3.771 -1.263 -5.246 1.00 52.31 C ATOM 1351 CD1 LEU B 77 -3.072 -0.003 -4.729 1.00 33.10 C ATOM 1352 CD2 LEU B 77 -5.137 -1.436 -4.584 1.00 34.32 C ATOM 0 H LEU B 77 -3.643 -1.200 -9.307 1.00 21.30 H new ATOM 0 HA LEU B 77 -2.117 -0.076 -7.257 1.00 1.03 H new ATOM 0 HB2 LEU B 77 -4.559 -0.461 -7.110 1.00 71.31 H new ATOM 0 HB3 LEU B 77 -4.310 -2.196 -7.137 1.00 71.31 H new ATOM 0 HG LEU B 77 -3.165 -2.127 -4.972 1.00 52.31 H new ATOM 0 HD11 LEU B 77 -3.016 -0.038 -3.641 1.00 33.10 H new ATOM 0 HD12 LEU B 77 -2.065 0.050 -5.143 1.00 33.10 H new ATOM 0 HD13 LEU B 77 -3.637 0.878 -5.035 1.00 33.10 H new ATOM 0 HD21 LEU B 77 -5.019 -1.437 -3.500 1.00 34.32 H new ATOM 0 HD22 LEU B 77 -5.790 -0.614 -4.877 1.00 34.32 H new ATOM 0 HD23 LEU B 77 -5.578 -2.381 -4.902 1.00 34.32 H new ATOM 1364 N LEU B 78 -1.620 -3.329 -7.721 1.00 12.21 N ATOM 1365 CA LEU B 78 -0.720 -4.463 -7.417 1.00 64.10 C ATOM 1366 C LEU B 78 0.742 -4.005 -7.509 1.00 24.10 C ATOM 1367 O LEU B 78 1.569 -4.301 -6.636 1.00 63.54 O ATOM 1368 CB LEU B 78 -0.973 -5.633 -8.413 1.00 3.11 C ATOM 1369 CG LEU B 78 -0.325 -7.006 -8.036 1.00 13.05 C ATOM 1370 CD1 LEU B 78 -1.021 -7.622 -6.814 1.00 61.22 C ATOM 1371 CD2 LEU B 78 -0.313 -7.992 -9.224 1.00 0.43 C ATOM 0 H LEU B 78 -2.314 -3.536 -8.439 1.00 12.21 H new ATOM 0 HA LEU B 78 -0.923 -4.814 -6.405 1.00 64.10 H new ATOM 0 HB2 LEU B 78 -2.049 -5.776 -8.509 1.00 3.11 H new ATOM 0 HB3 LEU B 78 -0.602 -5.336 -9.394 1.00 3.11 H new ATOM 0 HG LEU B 78 0.715 -6.810 -7.776 1.00 13.05 H new ATOM 0 HD11 LEU B 78 -0.553 -8.576 -6.571 1.00 61.22 H new ATOM 0 HD12 LEU B 78 -0.929 -6.946 -5.964 1.00 61.22 H new ATOM 0 HD13 LEU B 78 -2.076 -7.782 -7.038 1.00 61.22 H new ATOM 0 HD21 LEU B 78 0.146 -8.930 -8.913 1.00 0.43 H new ATOM 0 HD22 LEU B 78 -1.336 -8.180 -9.552 1.00 0.43 H new ATOM 0 HD23 LEU B 78 0.259 -7.563 -10.047 1.00 0.43 H new ATOM 1383 N SER B 79 1.013 -3.234 -8.576 1.00 2.22 N ATOM 1384 CA SER B 79 2.323 -2.661 -8.857 1.00 72.51 C ATOM 1385 C SER B 79 2.670 -1.535 -7.859 1.00 14.44 C ATOM 1386 O SER B 79 3.791 -1.506 -7.357 1.00 32.00 O ATOM 1387 CB SER B 79 2.339 -2.141 -10.301 1.00 61.02 C ATOM 1388 OG SER B 79 1.851 -3.126 -11.183 1.00 41.33 O ATOM 0 H SER B 79 0.310 -2.993 -9.274 1.00 2.22 H new ATOM 0 HA SER B 79 3.083 -3.434 -8.741 1.00 72.51 H new ATOM 0 HB2 SER B 79 1.729 -1.241 -10.377 1.00 61.02 H new ATOM 0 HB3 SER B 79 3.354 -1.862 -10.583 1.00 61.02 H new ATOM 0 HG SER B 79 1.865 -2.780 -12.100 1.00 41.33 H new ATOM 1394 N VAL B 80 1.677 -0.640 -7.557 1.00 23.24 N ATOM 1395 CA VAL B 80 1.859 0.525 -6.642 1.00 20.43 C ATOM 1396 C VAL B 80 2.389 0.071 -5.275 1.00 3.21 C ATOM 1397 O VAL B 80 3.294 0.696 -4.731 1.00 74.32 O ATOM 1398 CB VAL B 80 0.514 1.357 -6.444 1.00 30.33 C ATOM 1399 CG1 VAL B 80 0.630 2.441 -5.330 1.00 33.24 C ATOM 1400 CG2 VAL B 80 0.067 2.018 -7.766 1.00 44.32 C ATOM 0 H VAL B 80 0.735 -0.709 -7.941 1.00 23.24 H new ATOM 0 HA VAL B 80 2.591 1.179 -7.116 1.00 20.43 H new ATOM 0 HB VAL B 80 -0.239 0.636 -6.126 1.00 30.33 H new ATOM 0 HG11 VAL B 80 -0.316 2.975 -5.242 1.00 33.24 H new ATOM 0 HG12 VAL B 80 0.867 1.962 -4.380 1.00 33.24 H new ATOM 0 HG13 VAL B 80 1.421 3.145 -5.589 1.00 33.24 H new ATOM 0 HG21 VAL B 80 -0.853 2.578 -7.600 1.00 44.32 H new ATOM 0 HG22 VAL B 80 0.846 2.695 -8.116 1.00 44.32 H new ATOM 0 HG23 VAL B 80 -0.108 1.248 -8.517 1.00 44.32 H new ATOM 1410 N ILE B 81 1.823 -1.039 -4.756 1.00 61.11 N ATOM 1411 CA ILE B 81 2.219 -1.612 -3.462 1.00 10.34 C ATOM 1412 C ILE B 81 3.739 -1.904 -3.420 1.00 40.14 C ATOM 1413 O ILE B 81 4.424 -1.502 -2.481 1.00 51.40 O ATOM 1414 CB ILE B 81 1.407 -2.915 -3.117 1.00 42.53 C ATOM 1415 CG1 ILE B 81 -0.139 -2.688 -3.221 1.00 54.45 C ATOM 1416 CG2 ILE B 81 1.781 -3.410 -1.708 1.00 51.51 C ATOM 1417 CD1 ILE B 81 -0.708 -1.646 -2.273 1.00 12.13 C ATOM 0 H ILE B 81 1.081 -1.559 -5.225 1.00 61.11 H new ATOM 0 HA ILE B 81 1.985 -0.864 -2.705 1.00 10.34 H new ATOM 0 HB ILE B 81 1.673 -3.675 -3.851 1.00 42.53 H new ATOM 0 HG12 ILE B 81 -0.378 -2.395 -4.243 1.00 54.45 H new ATOM 0 HG13 ILE B 81 -0.642 -3.637 -3.036 1.00 54.45 H new ATOM 0 HG21 ILE B 81 1.215 -4.312 -1.477 1.00 51.51 H new ATOM 0 HG22 ILE B 81 2.848 -3.632 -1.672 1.00 51.51 H new ATOM 0 HG23 ILE B 81 1.546 -2.637 -0.976 1.00 51.51 H new ATOM 0 HD11 ILE B 81 -1.784 -1.565 -2.425 1.00 12.13 H new ATOM 0 HD12 ILE B 81 -0.508 -1.943 -1.243 1.00 12.13 H new ATOM 0 HD13 ILE B 81 -0.240 -0.681 -2.470 1.00 12.13 H new ATOM 1429 N GLU B 82 4.251 -2.576 -4.466 1.00 74.44 N ATOM 1430 CA GLU B 82 5.691 -2.911 -4.580 1.00 63.22 C ATOM 1431 C GLU B 82 6.557 -1.692 -4.991 1.00 44.01 C ATOM 1432 O GLU B 82 7.754 -1.656 -4.675 1.00 41.12 O ATOM 1433 CB GLU B 82 5.901 -4.118 -5.534 1.00 55.33 C ATOM 1434 CG GLU B 82 5.296 -5.435 -4.993 1.00 72.14 C ATOM 1435 CD GLU B 82 5.774 -6.704 -5.726 1.00 11.42 C ATOM 1436 OE1 GLU B 82 6.986 -6.940 -5.781 1.00 1.25 O ATOM 1437 OE2 GLU B 82 4.949 -7.509 -6.181 1.00 32.42 O ATOM 0 H GLU B 82 3.689 -2.902 -5.252 1.00 74.44 H new ATOM 0 HA GLU B 82 6.034 -3.201 -3.587 1.00 63.22 H new ATOM 0 HB2 GLU B 82 5.453 -3.890 -6.501 1.00 55.33 H new ATOM 0 HB3 GLU B 82 6.969 -4.258 -5.702 1.00 55.33 H new ATOM 0 HG2 GLU B 82 5.543 -5.526 -3.935 1.00 72.14 H new ATOM 0 HG3 GLU B 82 4.210 -5.377 -5.063 1.00 72.14 H new ATOM 1444 N GLU B 83 5.947 -0.696 -5.667 1.00 23.43 N ATOM 1445 CA GLU B 83 6.613 0.586 -6.013 1.00 71.24 C ATOM 1446 C GLU B 83 6.910 1.391 -4.741 1.00 31.25 C ATOM 1447 O GLU B 83 7.912 2.113 -4.648 1.00 53.43 O ATOM 1448 CB GLU B 83 5.729 1.429 -6.978 1.00 72.31 C ATOM 1449 CG GLU B 83 5.634 0.883 -8.416 1.00 70.12 C ATOM 1450 CD GLU B 83 7.002 0.789 -9.103 1.00 71.13 C ATOM 1451 OE1 GLU B 83 7.529 1.827 -9.551 1.00 45.10 O ATOM 1452 OE2 GLU B 83 7.582 -0.310 -9.170 1.00 21.43 O ATOM 0 H GLU B 83 4.981 -0.753 -5.990 1.00 23.43 H new ATOM 0 HA GLU B 83 7.551 0.354 -6.517 1.00 71.24 H new ATOM 0 HB2 GLU B 83 4.723 1.494 -6.563 1.00 72.31 H new ATOM 0 HB3 GLU B 83 6.124 2.444 -7.016 1.00 72.31 H new ATOM 0 HG2 GLU B 83 5.173 -0.105 -8.396 1.00 70.12 H new ATOM 0 HG3 GLU B 83 4.980 1.528 -9.003 1.00 70.12 H new ATOM 1459 N MET B 84 6.000 1.257 -3.774 1.00 1.32 N ATOM 1460 CA MET B 84 6.146 1.814 -2.435 1.00 31.44 C ATOM 1461 C MET B 84 7.134 0.948 -1.636 1.00 3.44 C ATOM 1462 O MET B 84 8.045 1.462 -0.990 1.00 44.03 O ATOM 1463 CB MET B 84 4.754 1.856 -1.743 1.00 61.05 C ATOM 1464 CG MET B 84 3.744 2.787 -2.420 1.00 45.13 C ATOM 1465 SD MET B 84 2.203 2.950 -1.497 1.00 52.23 S ATOM 1466 CE MET B 84 1.639 1.262 -1.304 1.00 34.44 C ATOM 0 H MET B 84 5.126 0.748 -3.906 1.00 1.32 H new ATOM 0 HA MET B 84 6.536 2.830 -2.486 1.00 31.44 H new ATOM 0 HB2 MET B 84 4.342 0.847 -1.719 1.00 61.05 H new ATOM 0 HB3 MET B 84 4.885 2.171 -0.708 1.00 61.05 H new ATOM 0 HG2 MET B 84 4.193 3.773 -2.543 1.00 45.13 H new ATOM 0 HG3 MET B 84 3.524 2.410 -3.419 1.00 45.13 H new ATOM 0 HE1 MET B 84 0.792 1.238 -0.619 1.00 34.44 H new ATOM 0 HE2 MET B 84 1.334 0.867 -2.273 1.00 34.44 H new ATOM 0 HE3 MET B 84 2.448 0.652 -0.902 1.00 34.44 H new ATOM 1476 N GLY B 85 6.955 -0.380 -1.769 1.00 31.04 N ATOM 1477 CA GLY B 85 7.695 -1.380 -1.003 1.00 35.22 C ATOM 1478 C GLY B 85 9.197 -1.377 -1.227 1.00 73.44 C ATOM 1479 O GLY B 85 9.961 -1.767 -0.333 1.00 42.53 O ATOM 0 H GLY B 85 6.283 -0.785 -2.421 1.00 31.04 H new ATOM 0 HA2 GLY B 85 7.501 -1.221 0.058 1.00 35.22 H new ATOM 0 HA3 GLY B 85 7.307 -2.368 -1.253 1.00 35.22 H new ATOM 1483 N LYS B 86 9.620 -0.930 -2.419 1.00 4.12 N ATOM 1484 CA LYS B 86 11.044 -0.833 -2.765 1.00 1.51 C ATOM 1485 C LYS B 86 11.608 0.494 -2.213 1.00 14.54 C ATOM 1486 O LYS B 86 12.757 0.552 -1.763 1.00 51.24 O ATOM 1487 CB LYS B 86 11.244 -0.931 -4.308 1.00 54.01 C ATOM 1488 CG LYS B 86 10.623 0.227 -5.122 1.00 22.31 C ATOM 1489 CD LYS B 86 10.803 0.065 -6.650 1.00 4.34 C ATOM 1490 CE LYS B 86 10.283 1.278 -7.442 1.00 13.45 C ATOM 1491 NZ LYS B 86 10.323 1.058 -8.918 1.00 61.24 N ATOM 0 H LYS B 86 8.991 -0.629 -3.163 1.00 4.12 H new ATOM 0 HA LYS B 86 11.586 -1.664 -2.314 1.00 1.51 H new ATOM 0 HB2 LYS B 86 12.313 -0.971 -4.519 1.00 54.01 H new ATOM 0 HB3 LYS B 86 10.815 -1.871 -4.656 1.00 54.01 H new ATOM 0 HG2 LYS B 86 9.559 0.293 -4.893 1.00 22.31 H new ATOM 0 HG3 LYS B 86 11.076 1.167 -4.807 1.00 22.31 H new ATOM 0 HD2 LYS B 86 11.859 -0.084 -6.873 1.00 4.34 H new ATOM 0 HD3 LYS B 86 10.278 -0.831 -6.980 1.00 4.34 H new ATOM 0 HE2 LYS B 86 9.259 1.494 -7.138 1.00 13.45 H new ATOM 0 HE3 LYS B 86 10.881 2.154 -7.192 1.00 13.45 H new ATOM 0 HZ1 LYS B 86 9.458 1.441 -9.350 1.00 61.24 H new ATOM 0 HZ2 LYS B 86 11.153 1.540 -9.319 1.00 61.24 H new ATOM 0 HZ3 LYS B 86 10.386 0.039 -9.116 1.00 61.24 H new ATOM 1505 N GLU B 87 10.761 1.551 -2.231 1.00 44.23 N ATOM 1506 CA GLU B 87 11.151 2.922 -1.846 1.00 1.33 C ATOM 1507 C GLU B 87 10.954 3.193 -0.349 1.00 63.41 C ATOM 1508 O GLU B 87 11.138 4.319 0.105 1.00 10.34 O ATOM 1509 CB GLU B 87 10.423 3.966 -2.734 1.00 65.32 C ATOM 1510 CG GLU B 87 10.953 3.966 -4.181 1.00 23.31 C ATOM 1511 CD GLU B 87 10.343 5.033 -5.095 1.00 51.02 C ATOM 1512 OE1 GLU B 87 10.185 6.192 -4.658 1.00 64.21 O ATOM 1513 OE2 GLU B 87 10.086 4.737 -6.273 1.00 34.41 O ATOM 0 H GLU B 87 9.784 1.472 -2.515 1.00 44.23 H new ATOM 0 HA GLU B 87 12.222 3.020 -2.024 1.00 1.33 H new ATOM 0 HB2 GLU B 87 9.354 3.754 -2.740 1.00 65.32 H new ATOM 0 HB3 GLU B 87 10.548 4.959 -2.302 1.00 65.32 H new ATOM 0 HG2 GLU B 87 12.034 4.106 -4.156 1.00 23.31 H new ATOM 0 HG3 GLU B 87 10.768 2.985 -4.619 1.00 23.31 H new ATOM 1520 N ILE B 88 10.623 2.139 0.411 1.00 45.51 N ATOM 1521 CA ILE B 88 10.697 2.162 1.881 1.00 73.13 C ATOM 1522 C ILE B 88 12.169 2.239 2.335 1.00 32.50 C ATOM 1523 O ILE B 88 12.473 2.895 3.324 1.00 73.53 O ATOM 1524 CB ILE B 88 9.992 0.898 2.508 1.00 52.43 C ATOM 1525 CG1 ILE B 88 8.486 0.889 2.118 1.00 43.41 C ATOM 1526 CG2 ILE B 88 10.173 0.834 4.051 1.00 13.01 C ATOM 1527 CD1 ILE B 88 7.723 -0.335 2.565 1.00 60.52 C ATOM 0 H ILE B 88 10.298 1.251 0.028 1.00 45.51 H new ATOM 0 HA ILE B 88 10.169 3.048 2.235 1.00 73.13 H new ATOM 0 HB ILE B 88 10.470 0.007 2.101 1.00 52.43 H new ATOM 0 HG12 ILE B 88 8.010 1.772 2.544 1.00 43.41 H new ATOM 0 HG13 ILE B 88 8.405 0.974 1.034 1.00 43.41 H new ATOM 0 HG21 ILE B 88 9.671 -0.052 4.440 1.00 13.01 H new ATOM 0 HG22 ILE B 88 11.235 0.784 4.291 1.00 13.01 H new ATOM 0 HG23 ILE B 88 9.740 1.725 4.505 1.00 13.01 H new ATOM 0 HD11 ILE B 88 6.683 -0.251 2.248 1.00 60.52 H new ATOM 0 HD12 ILE B 88 8.168 -1.224 2.119 1.00 60.52 H new ATOM 0 HD13 ILE B 88 7.766 -0.414 3.651 1.00 60.52 H new ATOM 1539 N ARG B 89 13.068 1.591 1.565 1.00 1.30 N ATOM 1540 CA ARG B 89 14.514 1.551 1.871 1.00 53.42 C ATOM 1541 C ARG B 89 15.172 2.974 1.784 1.00 63.31 C ATOM 1542 O ARG B 89 15.796 3.390 2.769 1.00 3.42 O ATOM 1543 CB ARG B 89 15.231 0.494 0.977 1.00 60.11 C ATOM 1544 CG ARG B 89 16.758 0.363 1.193 1.00 71.42 C ATOM 1545 CD ARG B 89 17.122 -0.154 2.597 1.00 73.31 C ATOM 1546 NE ARG B 89 18.578 -0.319 2.775 1.00 11.00 N ATOM 1547 CZ ARG B 89 19.259 -1.469 2.602 1.00 33.35 C ATOM 1548 NH1 ARG B 89 18.636 -2.591 2.233 1.00 22.02 N ATOM 1549 NH2 ARG B 89 20.561 -1.505 2.824 1.00 60.24 N ATOM 0 H ARG B 89 12.814 1.083 0.718 1.00 1.30 H new ATOM 0 HA ARG B 89 14.637 1.235 2.907 1.00 53.42 H new ATOM 0 HB2 ARG B 89 14.772 -0.478 1.155 1.00 60.11 H new ATOM 0 HB3 ARG B 89 15.050 0.745 -0.068 1.00 60.11 H new ATOM 0 HG2 ARG B 89 17.169 -0.314 0.444 1.00 71.42 H new ATOM 0 HG3 ARG B 89 17.227 1.334 1.036 1.00 71.42 H new ATOM 0 HD2 ARG B 89 16.743 0.541 3.347 1.00 73.31 H new ATOM 0 HD3 ARG B 89 16.627 -1.110 2.769 1.00 73.31 H new ATOM 0 HE ARG B 89 19.112 0.505 3.052 1.00 11.00 H new ATOM 0 HH11 ARG B 89 17.628 -2.587 2.077 1.00 22.02 H new ATOM 0 HH12 ARG B 89 19.168 -3.452 2.107 1.00 22.02 H new ATOM 0 HH21 ARG B 89 21.050 -0.663 3.126 1.00 60.24 H new ATOM 0 HH22 ARG B 89 21.077 -2.375 2.693 1.00 60.24 H new ATOM 1563 N PRO B 90 15.075 3.749 0.627 1.00 13.52 N ATOM 1564 CA PRO B 90 15.592 5.144 0.580 1.00 24.13 C ATOM 1565 C PRO B 90 14.854 6.107 1.556 1.00 4.54 C ATOM 1566 O PRO B 90 15.493 6.999 2.111 1.00 32.13 O ATOM 1567 CB PRO B 90 15.444 5.556 -0.914 1.00 70.34 C ATOM 1568 CG PRO B 90 14.447 4.601 -1.502 1.00 31.15 C ATOM 1569 CD PRO B 90 14.573 3.317 -0.711 1.00 11.22 C ATOM 0 HA PRO B 90 16.626 5.205 0.920 1.00 24.13 H new ATOM 0 HB2 PRO B 90 15.099 6.586 -1.004 1.00 70.34 H new ATOM 0 HB3 PRO B 90 16.400 5.493 -1.434 1.00 70.34 H new ATOM 0 HG2 PRO B 90 13.436 5.003 -1.433 1.00 31.15 H new ATOM 0 HG3 PRO B 90 14.650 4.428 -2.559 1.00 31.15 H new ATOM 0 HD2 PRO B 90 13.614 2.806 -0.629 1.00 11.22 H new ATOM 0 HD3 PRO B 90 15.264 2.623 -1.189 1.00 11.22 H new ATOM 1577 N THR B 91 13.534 5.905 1.782 1.00 32.25 N ATOM 1578 CA THR B 91 12.761 6.669 2.808 1.00 74.32 C ATOM 1579 C THR B 91 13.389 6.484 4.203 1.00 72.13 C ATOM 1580 O THR B 91 13.598 7.444 4.953 1.00 71.05 O ATOM 1581 CB THR B 91 11.267 6.214 2.830 1.00 63.21 C ATOM 1582 OG1 THR B 91 10.644 6.592 1.599 1.00 31.13 O ATOM 1583 CG2 THR B 91 10.458 6.797 4.006 1.00 33.24 C ATOM 0 H THR B 91 12.976 5.221 1.271 1.00 32.25 H new ATOM 0 HA THR B 91 12.797 7.725 2.541 1.00 74.32 H new ATOM 0 HB THR B 91 11.271 5.132 2.960 1.00 63.21 H new ATOM 0 HG1 THR B 91 10.740 5.866 0.947 1.00 31.13 H new ATOM 0 HG21 THR B 91 9.431 6.437 3.955 1.00 33.24 H new ATOM 0 HG22 THR B 91 10.907 6.482 4.948 1.00 33.24 H new ATOM 0 HG23 THR B 91 10.464 7.885 3.948 1.00 33.24 H new ATOM 1591 N TYR B 92 13.686 5.218 4.510 1.00 55.41 N ATOM 1592 CA TYR B 92 14.342 4.800 5.755 1.00 64.11 C ATOM 1593 C TYR B 92 15.776 5.365 5.841 1.00 43.45 C ATOM 1594 O TYR B 92 16.302 5.560 6.936 1.00 71.23 O ATOM 1595 CB TYR B 92 14.335 3.246 5.823 1.00 52.11 C ATOM 1596 CG TYR B 92 14.927 2.634 7.094 1.00 2.31 C ATOM 1597 CD1 TYR B 92 14.430 2.973 8.348 1.00 71.14 C ATOM 1598 CD2 TYR B 92 15.987 1.729 7.040 1.00 34.24 C ATOM 1599 CE1 TYR B 92 14.957 2.427 9.491 1.00 41.33 C ATOM 1600 CE2 TYR B 92 16.517 1.185 8.186 1.00 51.00 C ATOM 1601 CZ TYR B 92 16.003 1.542 9.408 1.00 21.51 C ATOM 1602 OH TYR B 92 16.541 1.008 10.555 1.00 3.12 O ATOM 0 H TYR B 92 13.473 4.438 3.888 1.00 55.41 H new ATOM 0 HA TYR B 92 13.796 5.198 6.610 1.00 64.11 H new ATOM 0 HB2 TYR B 92 13.306 2.901 5.721 1.00 52.11 H new ATOM 0 HB3 TYR B 92 14.887 2.861 4.965 1.00 52.11 H new ATOM 0 HD1 TYR B 92 13.615 3.678 8.423 1.00 71.14 H new ATOM 0 HD2 TYR B 92 16.399 1.451 6.081 1.00 34.24 H new ATOM 0 HE1 TYR B 92 14.549 2.693 10.455 1.00 41.33 H new ATOM 0 HE2 TYR B 92 17.333 0.481 8.125 1.00 51.00 H new ATOM 0 HH TYR B 92 17.272 0.399 10.321 1.00 3.12 H new ATOM 1612 N ALA B 93 16.380 5.652 4.674 1.00 24.42 N ATOM 1613 CA ALA B 93 17.731 6.247 4.576 1.00 11.24 C ATOM 1614 C ALA B 93 17.682 7.793 4.641 1.00 14.11 C ATOM 1615 O ALA B 93 18.716 8.451 4.503 1.00 23.11 O ATOM 1616 CB ALA B 93 18.402 5.773 3.276 1.00 22.25 C ATOM 0 H ALA B 93 15.946 5.478 3.767 1.00 24.42 H new ATOM 0 HA ALA B 93 18.320 5.913 5.430 1.00 11.24 H new ATOM 0 HB1 ALA B 93 19.398 6.210 3.200 1.00 22.25 H new ATOM 0 HB2 ALA B 93 18.482 4.686 3.283 1.00 22.25 H new ATOM 0 HB3 ALA B 93 17.802 6.087 2.422 1.00 22.25 H new ATOM 1622 N GLY B 94 16.483 8.363 4.860 1.00 4.15 N ATOM 1623 CA GLY B 94 16.319 9.814 5.020 1.00 60.14 C ATOM 1624 C GLY B 94 15.908 10.564 3.752 1.00 4.13 C ATOM 1625 O GLY B 94 15.801 11.792 3.787 1.00 31.52 O ATOM 0 H GLY B 94 15.612 7.836 4.930 1.00 4.15 H new ATOM 0 HA2 GLY B 94 15.570 9.997 5.790 1.00 60.14 H new ATOM 0 HA3 GLY B 94 17.258 10.232 5.383 1.00 60.14 H new ATOM 1629 N SER B 95 15.687 9.848 2.635 1.00 3.14 N ATOM 1630 CA SER B 95 15.218 10.465 1.369 1.00 52.31 C ATOM 1631 C SER B 95 13.737 10.882 1.468 1.00 62.44 C ATOM 1632 O SER B 95 12.840 10.027 1.461 1.00 15.11 O ATOM 1633 CB SER B 95 15.416 9.501 0.171 1.00 52.22 C ATOM 1634 OG SER B 95 14.958 10.070 -1.047 1.00 62.31 O ATOM 0 H SER B 95 15.824 8.839 2.578 1.00 3.14 H new ATOM 0 HA SER B 95 15.820 11.358 1.201 1.00 52.31 H new ATOM 0 HB2 SER B 95 16.472 9.248 0.079 1.00 52.22 H new ATOM 0 HB3 SER B 95 14.881 8.571 0.361 1.00 52.22 H new ATOM 0 HG SER B 95 15.101 9.434 -1.779 1.00 62.31 H new ATOM 1640 N LYS B 96 13.504 12.206 1.600 1.00 25.11 N ATOM 1641 CA LYS B 96 12.155 12.805 1.533 1.00 61.41 C ATOM 1642 C LYS B 96 11.549 12.648 0.131 1.00 63.53 C ATOM 1643 O LYS B 96 10.333 12.751 -0.023 1.00 45.55 O ATOM 1644 CB LYS B 96 12.160 14.301 1.952 1.00 15.31 C ATOM 1645 CG LYS B 96 12.821 15.284 0.960 1.00 13.51 C ATOM 1646 CD LYS B 96 12.743 16.752 1.448 1.00 64.22 C ATOM 1647 CE LYS B 96 13.189 17.748 0.368 1.00 14.43 C ATOM 1648 NZ LYS B 96 12.335 17.658 -0.855 1.00 13.15 N ATOM 0 H LYS B 96 14.246 12.888 1.756 1.00 25.11 H new ATOM 0 HA LYS B 96 11.534 12.263 2.246 1.00 61.41 H new ATOM 0 HB2 LYS B 96 11.129 14.616 2.111 1.00 15.31 H new ATOM 0 HB3 LYS B 96 12.671 14.387 2.911 1.00 15.31 H new ATOM 0 HG2 LYS B 96 13.865 15.006 0.817 1.00 13.51 H new ATOM 0 HG3 LYS B 96 12.333 15.200 -0.011 1.00 13.51 H new ATOM 0 HD2 LYS B 96 11.720 16.979 1.749 1.00 64.22 H new ATOM 0 HD3 LYS B 96 13.369 16.873 2.332 1.00 64.22 H new ATOM 0 HE2 LYS B 96 13.146 18.761 0.768 1.00 14.43 H new ATOM 0 HE3 LYS B 96 14.228 17.554 0.101 1.00 14.43 H new ATOM 0 HZ1 LYS B 96 12.028 18.611 -1.135 1.00 13.15 H new ATOM 0 HZ2 LYS B 96 12.881 17.229 -1.629 1.00 13.15 H new ATOM 0 HZ3 LYS B 96 11.501 17.071 -0.653 1.00 13.15 H new ATOM 1662 N SER B 97 12.415 12.439 -0.884 1.00 52.12 N ATOM 1663 CA SER B 97 11.993 12.216 -2.271 1.00 22.33 C ATOM 1664 C SER B 97 11.240 10.875 -2.391 1.00 11.12 C ATOM 1665 O SER B 97 10.133 10.823 -2.929 1.00 50.21 O ATOM 1666 CB SER B 97 13.225 12.242 -3.204 1.00 3.13 C ATOM 1667 OG SER B 97 13.927 13.466 -3.099 1.00 2.34 O ATOM 0 H SER B 97 13.427 12.421 -0.757 1.00 52.12 H new ATOM 0 HA SER B 97 11.314 13.014 -2.572 1.00 22.33 H new ATOM 0 HB2 SER B 97 13.891 11.416 -2.953 1.00 3.13 H new ATOM 0 HB3 SER B 97 12.905 12.091 -4.235 1.00 3.13 H new ATOM 0 HG SER B 97 14.701 13.451 -3.699 1.00 2.34 H new ATOM 1673 N ALA B 98 11.852 9.797 -1.855 1.00 4.33 N ATOM 1674 CA ALA B 98 11.228 8.463 -1.801 1.00 41.11 C ATOM 1675 C ALA B 98 9.957 8.486 -0.933 1.00 21.24 C ATOM 1676 O ALA B 98 8.945 7.882 -1.287 1.00 40.42 O ATOM 1677 CB ALA B 98 12.237 7.440 -1.266 1.00 73.25 C ATOM 0 H ALA B 98 12.788 9.829 -1.450 1.00 4.33 H new ATOM 0 HA ALA B 98 10.934 8.172 -2.809 1.00 41.11 H new ATOM 0 HB1 ALA B 98 11.771 6.455 -1.228 1.00 73.25 H new ATOM 0 HB2 ALA B 98 13.105 7.406 -1.925 1.00 73.25 H new ATOM 0 HB3 ALA B 98 12.554 7.731 -0.264 1.00 73.25 H new ATOM 1683 N MET B 99 10.041 9.219 0.194 1.00 10.42 N ATOM 1684 CA MET B 99 8.930 9.403 1.154 1.00 14.41 C ATOM 1685 C MET B 99 7.769 10.210 0.523 1.00 23.53 C ATOM 1686 O MET B 99 6.603 10.010 0.876 1.00 43.45 O ATOM 1687 CB MET B 99 9.492 10.082 2.442 1.00 42.22 C ATOM 1688 CG MET B 99 8.493 10.284 3.603 1.00 53.12 C ATOM 1689 SD MET B 99 7.371 11.682 3.357 1.00 22.40 S ATOM 1690 CE MET B 99 8.523 13.055 3.282 1.00 33.22 C ATOM 0 H MET B 99 10.893 9.708 0.469 1.00 10.42 H new ATOM 0 HA MET B 99 8.509 8.434 1.423 1.00 14.41 H new ATOM 0 HB2 MET B 99 10.325 9.483 2.809 1.00 42.22 H new ATOM 0 HB3 MET B 99 9.897 11.056 2.166 1.00 42.22 H new ATOM 0 HG2 MET B 99 7.905 9.375 3.728 1.00 53.12 H new ATOM 0 HG3 MET B 99 9.049 10.434 4.528 1.00 53.12 H new ATOM 0 HE1 MET B 99 8.158 13.871 3.906 1.00 33.22 H new ATOM 0 HE2 MET B 99 9.499 12.731 3.643 1.00 33.22 H new ATOM 0 HE3 MET B 99 8.613 13.399 2.252 1.00 33.22 H new ATOM 1700 N GLU B 100 8.104 11.092 -0.436 1.00 61.12 N ATOM 1701 CA GLU B 100 7.118 11.903 -1.185 1.00 5.23 C ATOM 1702 C GLU B 100 6.234 10.997 -2.067 1.00 22.41 C ATOM 1703 O GLU B 100 5.034 11.236 -2.205 1.00 60.20 O ATOM 1704 CB GLU B 100 7.856 12.973 -2.042 1.00 41.43 C ATOM 1705 CG GLU B 100 6.946 13.908 -2.870 1.00 60.53 C ATOM 1706 CD GLU B 100 7.731 14.901 -3.747 1.00 2.42 C ATOM 1707 OE1 GLU B 100 8.140 15.969 -3.244 1.00 42.02 O ATOM 1708 OE2 GLU B 100 7.962 14.612 -4.940 1.00 42.24 O ATOM 0 H GLU B 100 9.069 11.265 -0.717 1.00 61.12 H new ATOM 0 HA GLU B 100 6.467 12.417 -0.478 1.00 5.23 H new ATOM 0 HB2 GLU B 100 8.468 13.585 -1.379 1.00 41.43 H new ATOM 0 HB3 GLU B 100 8.537 12.461 -2.723 1.00 41.43 H new ATOM 0 HG2 GLU B 100 6.299 13.304 -3.507 1.00 60.53 H new ATOM 0 HG3 GLU B 100 6.297 14.465 -2.194 1.00 60.53 H new ATOM 1715 N ARG B 101 6.847 9.933 -2.626 1.00 22.43 N ATOM 1716 CA ARG B 101 6.135 8.942 -3.471 1.00 63.44 C ATOM 1717 C ARG B 101 5.502 7.841 -2.598 1.00 70.35 C ATOM 1718 O ARG B 101 4.510 7.228 -2.992 1.00 65.24 O ATOM 1719 CB ARG B 101 7.075 8.296 -4.524 1.00 12.12 C ATOM 1720 CG ARG B 101 6.325 7.468 -5.602 1.00 53.55 C ATOM 1721 CD ARG B 101 7.255 6.732 -6.574 1.00 15.21 C ATOM 1722 NE ARG B 101 6.493 6.069 -7.650 1.00 14.13 N ATOM 1723 CZ ARG B 101 6.749 4.857 -8.172 1.00 21.14 C ATOM 1724 NH1 ARG B 101 7.763 4.120 -7.744 1.00 4.14 N ATOM 1725 NH2 ARG B 101 5.983 4.389 -9.143 1.00 45.25 N ATOM 0 H ARG B 101 7.840 9.734 -2.508 1.00 22.43 H new ATOM 0 HA ARG B 101 5.351 9.480 -4.003 1.00 63.44 H new ATOM 0 HB2 ARG B 101 7.650 9.081 -5.016 1.00 12.12 H new ATOM 0 HB3 ARG B 101 7.789 7.650 -4.013 1.00 12.12 H new ATOM 0 HG2 ARG B 101 5.683 6.740 -5.106 1.00 53.55 H new ATOM 0 HG3 ARG B 101 5.674 8.133 -6.170 1.00 53.55 H new ATOM 0 HD2 ARG B 101 7.962 7.438 -7.009 1.00 15.21 H new ATOM 0 HD3 ARG B 101 7.839 5.990 -6.030 1.00 15.21 H new ATOM 0 HE ARG B 101 5.697 6.578 -8.034 1.00 14.13 H new ATOM 0 HH11 ARG B 101 8.370 4.469 -7.002 1.00 4.14 H new ATOM 0 HH12 ARG B 101 7.937 3.203 -8.156 1.00 4.14 H new ATOM 0 HH21 ARG B 101 5.203 4.947 -9.491 1.00 45.25 H new ATOM 0 HH22 ARG B 101 6.172 3.470 -9.544 1.00 45.25 H new ATOM 1739 N LEU B 102 6.100 7.590 -1.423 1.00 72.13 N ATOM 1740 CA LEU B 102 5.659 6.529 -0.502 1.00 64.11 C ATOM 1741 C LEU B 102 4.327 6.936 0.166 1.00 65.24 C ATOM 1742 O LEU B 102 3.367 6.167 0.152 1.00 23.32 O ATOM 1743 CB LEU B 102 6.795 6.234 0.528 1.00 41.55 C ATOM 1744 CG LEU B 102 6.599 5.030 1.514 1.00 73.12 C ATOM 1745 CD1 LEU B 102 6.207 3.746 0.791 1.00 10.15 C ATOM 1746 CD2 LEU B 102 7.864 4.788 2.359 1.00 34.33 C ATOM 0 H LEU B 102 6.904 8.118 -1.084 1.00 72.13 H new ATOM 0 HA LEU B 102 5.467 5.604 -1.045 1.00 64.11 H new ATOM 0 HB2 LEU B 102 7.716 6.063 -0.030 1.00 41.55 H new ATOM 0 HB3 LEU B 102 6.947 7.133 1.125 1.00 41.55 H new ATOM 0 HG LEU B 102 5.777 5.306 2.175 1.00 73.12 H new ATOM 0 HD11 LEU B 102 6.083 2.943 1.517 1.00 10.15 H new ATOM 0 HD12 LEU B 102 5.269 3.901 0.258 1.00 10.15 H new ATOM 0 HD13 LEU B 102 6.988 3.476 0.080 1.00 10.15 H new ATOM 0 HD21 LEU B 102 7.696 3.947 3.032 1.00 34.33 H new ATOM 0 HD22 LEU B 102 8.704 4.564 1.701 1.00 34.33 H new ATOM 0 HD23 LEU B 102 8.088 5.681 2.942 1.00 34.33 H new ATOM 1758 N LYS B 103 4.274 8.169 0.723 1.00 62.43 N ATOM 1759 CA LYS B 103 3.025 8.770 1.259 1.00 4.32 C ATOM 1760 C LYS B 103 1.952 8.919 0.151 1.00 24.24 C ATOM 1761 O LYS B 103 0.791 8.544 0.355 1.00 34.24 O ATOM 1762 CB LYS B 103 3.321 10.152 1.906 1.00 64.22 C ATOM 1763 CG LYS B 103 4.211 10.116 3.169 1.00 60.53 C ATOM 1764 CD LYS B 103 3.535 9.483 4.417 1.00 14.22 C ATOM 1765 CE LYS B 103 2.599 10.434 5.186 1.00 0.35 C ATOM 1766 NZ LYS B 103 1.390 10.840 4.422 1.00 5.02 N ATOM 0 H LYS B 103 5.090 8.774 0.814 1.00 62.43 H new ATOM 0 HA LYS B 103 2.633 8.098 2.022 1.00 4.32 H new ATOM 0 HB2 LYS B 103 3.801 10.787 1.162 1.00 64.22 H new ATOM 0 HB3 LYS B 103 2.373 10.624 2.164 1.00 64.22 H new ATOM 0 HG2 LYS B 103 5.120 9.558 2.942 1.00 60.53 H new ATOM 0 HG3 LYS B 103 4.514 11.134 3.413 1.00 60.53 H new ATOM 0 HD2 LYS B 103 2.965 8.609 4.102 1.00 14.22 H new ATOM 0 HD3 LYS B 103 4.311 9.130 5.096 1.00 14.22 H new ATOM 0 HE2 LYS B 103 2.286 9.950 6.111 1.00 0.35 H new ATOM 0 HE3 LYS B 103 3.156 11.328 5.466 1.00 0.35 H new ATOM 0 HZ1 LYS B 103 0.607 11.020 5.082 1.00 5.02 H new ATOM 0 HZ2 LYS B 103 1.594 11.706 3.883 1.00 5.02 H new ATOM 0 HZ3 LYS B 103 1.122 10.079 3.766 1.00 5.02 H new ATOM 1780 N ARG B 104 2.366 9.481 -1.011 1.00 3.41 N ATOM 1781 CA ARG B 104 1.507 9.635 -2.211 1.00 24.40 C ATOM 1782 C ARG B 104 0.943 8.282 -2.664 1.00 13.31 C ATOM 1783 O ARG B 104 -0.206 8.196 -3.114 1.00 64.53 O ATOM 1784 CB ARG B 104 2.330 10.259 -3.370 1.00 14.12 C ATOM 1785 CG ARG B 104 1.627 10.291 -4.750 1.00 41.22 C ATOM 1786 CD ARG B 104 2.549 10.783 -5.873 1.00 61.41 C ATOM 1787 NE ARG B 104 1.913 10.664 -7.196 1.00 30.42 N ATOM 1788 CZ ARG B 104 2.445 11.098 -8.349 1.00 25.13 C ATOM 1789 NH1 ARG B 104 3.641 11.692 -8.372 1.00 43.40 N ATOM 1790 NH2 ARG B 104 1.772 10.940 -9.478 1.00 41.11 N ATOM 0 H ARG B 104 3.311 9.842 -1.143 1.00 3.41 H new ATOM 0 HA ARG B 104 0.676 10.290 -1.950 1.00 24.40 H new ATOM 0 HB2 ARG B 104 2.596 11.279 -3.094 1.00 14.12 H new ATOM 0 HB3 ARG B 104 3.262 9.703 -3.470 1.00 14.12 H new ATOM 0 HG2 ARG B 104 1.267 9.291 -4.993 1.00 41.22 H new ATOM 0 HG3 ARG B 104 0.753 10.940 -4.693 1.00 41.22 H new ATOM 0 HD2 ARG B 104 2.819 11.823 -5.692 1.00 61.41 H new ATOM 0 HD3 ARG B 104 3.474 10.207 -5.862 1.00 61.41 H new ATOM 0 HE ARG B 104 0.997 10.217 -7.239 1.00 30.42 H new ATOM 0 HH11 ARG B 104 4.163 11.821 -7.505 1.00 43.40 H new ATOM 0 HH12 ARG B 104 4.032 12.017 -9.256 1.00 43.40 H new ATOM 0 HH21 ARG B 104 0.856 10.491 -9.467 1.00 41.11 H new ATOM 0 HH22 ARG B 104 2.169 11.267 -10.359 1.00 41.11 H new ATOM 1804 N GLY B 105 1.786 7.245 -2.555 1.00 32.53 N ATOM 1805 CA GLY B 105 1.435 5.901 -2.966 1.00 62.34 C ATOM 1806 C GLY B 105 0.239 5.364 -2.213 1.00 31.14 C ATOM 1807 O GLY B 105 -0.634 4.758 -2.818 1.00 34.33 O ATOM 0 H GLY B 105 2.730 7.327 -2.177 1.00 32.53 H new ATOM 0 HA2 GLY B 105 1.221 5.895 -4.035 1.00 62.34 H new ATOM 0 HA3 GLY B 105 2.288 5.241 -2.807 1.00 62.34 H new ATOM 1811 N ILE B 106 0.204 5.605 -0.885 1.00 13.30 N ATOM 1812 CA ILE B 106 -0.931 5.234 -0.024 1.00 74.33 C ATOM 1813 C ILE B 106 -2.204 6.021 -0.412 1.00 4.33 C ATOM 1814 O ILE B 106 -3.298 5.463 -0.388 1.00 13.43 O ATOM 1815 CB ILE B 106 -0.577 5.419 1.518 1.00 43.32 C ATOM 1816 CG1 ILE B 106 0.165 4.166 2.093 1.00 25.33 C ATOM 1817 CG2 ILE B 106 -1.817 5.745 2.402 1.00 51.43 C ATOM 1818 CD1 ILE B 106 1.518 3.866 1.508 1.00 51.24 C ATOM 0 H ILE B 106 0.964 6.063 -0.383 1.00 13.30 H new ATOM 0 HA ILE B 106 -1.136 4.175 -0.184 1.00 74.33 H new ATOM 0 HB ILE B 106 0.088 6.282 1.558 1.00 43.32 H new ATOM 0 HG12 ILE B 106 0.279 4.300 3.169 1.00 25.33 H new ATOM 0 HG13 ILE B 106 -0.472 3.294 1.946 1.00 25.33 H new ATOM 0 HG21 ILE B 106 -1.504 5.858 3.440 1.00 51.43 H new ATOM 0 HG22 ILE B 106 -2.275 6.672 2.058 1.00 51.43 H new ATOM 0 HG23 ILE B 106 -2.540 4.933 2.328 1.00 51.43 H new ATOM 0 HD11 ILE B 106 1.932 2.977 1.985 1.00 51.24 H new ATOM 0 HD12 ILE B 106 1.420 3.691 0.437 1.00 51.24 H new ATOM 0 HD13 ILE B 106 2.184 4.712 1.678 1.00 51.24 H new ATOM 1830 N ILE B 107 -2.054 7.308 -0.772 1.00 71.01 N ATOM 1831 CA ILE B 107 -3.198 8.167 -1.177 1.00 54.23 C ATOM 1832 C ILE B 107 -3.846 7.617 -2.466 1.00 62.40 C ATOM 1833 O ILE B 107 -5.076 7.485 -2.563 1.00 70.42 O ATOM 1834 CB ILE B 107 -2.741 9.662 -1.386 1.00 34.44 C ATOM 1835 CG1 ILE B 107 -2.114 10.221 -0.067 1.00 53.42 C ATOM 1836 CG2 ILE B 107 -3.915 10.551 -1.871 1.00 51.14 C ATOM 1837 CD1 ILE B 107 -1.561 11.635 -0.155 1.00 24.12 C ATOM 0 H ILE B 107 -1.152 7.784 -0.793 1.00 71.01 H new ATOM 0 HA ILE B 107 -3.936 8.151 -0.375 1.00 54.23 H new ATOM 0 HB ILE B 107 -1.981 9.682 -2.167 1.00 34.44 H new ATOM 0 HG12 ILE B 107 -2.872 10.194 0.716 1.00 53.42 H new ATOM 0 HG13 ILE B 107 -1.310 9.554 0.244 1.00 53.42 H new ATOM 0 HG21 ILE B 107 -3.565 11.575 -2.005 1.00 51.14 H new ATOM 0 HG22 ILE B 107 -4.292 10.170 -2.820 1.00 51.14 H new ATOM 0 HG23 ILE B 107 -4.714 10.535 -1.130 1.00 51.14 H new ATOM 0 HD11 ILE B 107 -1.150 11.926 0.812 1.00 24.12 H new ATOM 0 HD12 ILE B 107 -0.775 11.672 -0.909 1.00 24.12 H new ATOM 0 HD13 ILE B 107 -2.361 12.322 -0.431 1.00 24.12 H new ATOM 1849 N HIS B 108 -2.980 7.252 -3.421 1.00 75.42 N ATOM 1850 CA HIS B 108 -3.386 6.688 -4.714 1.00 13.13 C ATOM 1851 C HIS B 108 -3.965 5.279 -4.518 1.00 50.40 C ATOM 1852 O HIS B 108 -4.946 4.905 -5.162 1.00 20.43 O ATOM 1853 CB HIS B 108 -2.177 6.645 -5.683 1.00 1.23 C ATOM 1854 CG HIS B 108 -2.532 6.260 -7.095 1.00 34.42 C ATOM 1855 ND1 HIS B 108 -1.818 5.353 -7.843 1.00 63.25 N ATOM 1856 CD2 HIS B 108 -3.528 6.698 -7.902 1.00 2.11 C ATOM 1857 CE1 HIS B 108 -2.355 5.264 -9.041 1.00 14.20 C ATOM 1858 NE2 HIS B 108 -3.389 6.067 -9.098 1.00 60.25 N ATOM 0 H HIS B 108 -1.969 7.341 -3.316 1.00 75.42 H new ATOM 0 HA HIS B 108 -4.157 7.324 -5.149 1.00 13.13 H new ATOM 0 HB2 HIS B 108 -1.700 7.625 -5.694 1.00 1.23 H new ATOM 0 HB3 HIS B 108 -1.443 5.937 -5.299 1.00 1.23 H new ATOM 0 HD2 HIS B 108 -4.292 7.416 -7.643 1.00 2.11 H new ATOM 0 HE1 HIS B 108 -2.002 4.634 -9.844 1.00 14.20 H new ATOM 0 HE2 HIS B 108 -3.993 6.198 -9.910 1.00 60.25 H new ATOM 1867 N ALA B 109 -3.336 4.525 -3.606 1.00 71.33 N ATOM 1868 CA ALA B 109 -3.724 3.157 -3.287 1.00 2.22 C ATOM 1869 C ALA B 109 -5.120 3.115 -2.662 1.00 31.14 C ATOM 1870 O ALA B 109 -5.946 2.295 -3.047 1.00 21.24 O ATOM 1871 CB ALA B 109 -2.682 2.525 -2.357 1.00 31.53 C ATOM 0 H ALA B 109 -2.536 4.857 -3.067 1.00 71.33 H new ATOM 0 HA ALA B 109 -3.763 2.579 -4.210 1.00 2.22 H new ATOM 0 HB1 ALA B 109 -2.977 1.502 -2.122 1.00 31.53 H new ATOM 0 HB2 ALA B 109 -1.710 2.518 -2.851 1.00 31.53 H new ATOM 0 HB3 ALA B 109 -2.617 3.105 -1.436 1.00 31.53 H new ATOM 1877 N ARG B 110 -5.375 4.068 -1.747 1.00 43.22 N ATOM 1878 CA ARG B 110 -6.649 4.186 -1.015 1.00 33.43 C ATOM 1879 C ARG B 110 -7.789 4.473 -2.010 1.00 34.23 C ATOM 1880 O ARG B 110 -8.891 3.929 -1.878 1.00 12.41 O ATOM 1881 CB ARG B 110 -6.512 5.297 0.091 1.00 21.15 C ATOM 1882 CG ARG B 110 -7.641 5.367 1.166 1.00 53.43 C ATOM 1883 CD ARG B 110 -8.946 6.063 0.698 1.00 32.42 C ATOM 1884 NE ARG B 110 -10.065 5.854 1.641 1.00 75.25 N ATOM 1885 CZ ARG B 110 -11.361 6.132 1.382 1.00 30.01 C ATOM 1886 NH1 ARG B 110 -11.737 6.647 0.213 1.00 34.15 N ATOM 1887 NH2 ARG B 110 -12.272 5.915 2.314 1.00 61.14 N ATOM 0 H ARG B 110 -4.695 4.785 -1.493 1.00 43.22 H new ATOM 0 HA ARG B 110 -6.892 3.252 -0.509 1.00 33.43 H new ATOM 0 HB2 ARG B 110 -5.563 5.148 0.605 1.00 21.15 H new ATOM 0 HB3 ARG B 110 -6.457 6.265 -0.406 1.00 21.15 H new ATOM 0 HG2 ARG B 110 -7.882 4.353 1.486 1.00 53.43 H new ATOM 0 HG3 ARG B 110 -7.258 5.894 2.040 1.00 53.43 H new ATOM 0 HD2 ARG B 110 -8.764 7.132 0.585 1.00 32.42 H new ATOM 0 HD3 ARG B 110 -9.226 5.682 -0.284 1.00 32.42 H new ATOM 0 HE ARG B 110 -9.841 5.470 2.559 1.00 75.25 H new ATOM 0 HH11 ARG B 110 -11.041 6.839 -0.507 1.00 34.15 H new ATOM 0 HH12 ARG B 110 -12.721 6.850 0.038 1.00 34.15 H new ATOM 0 HH21 ARG B 110 -11.994 5.540 3.221 1.00 61.14 H new ATOM 0 HH22 ARG B 110 -13.253 6.122 2.126 1.00 61.14 H new ATOM 1901 N ALA B 111 -7.473 5.284 -3.035 1.00 14.21 N ATOM 1902 CA ALA B 111 -8.430 5.682 -4.074 1.00 1.20 C ATOM 1903 C ALA B 111 -8.812 4.473 -4.952 1.00 63.23 C ATOM 1904 O ALA B 111 -9.982 4.300 -5.293 1.00 12.24 O ATOM 1905 CB ALA B 111 -7.844 6.820 -4.924 1.00 45.25 C ATOM 0 H ALA B 111 -6.542 5.681 -3.163 1.00 14.21 H new ATOM 0 HA ALA B 111 -9.339 6.046 -3.595 1.00 1.20 H new ATOM 0 HB1 ALA B 111 -8.562 7.108 -5.692 1.00 45.25 H new ATOM 0 HB2 ALA B 111 -7.631 7.678 -4.286 1.00 45.25 H new ATOM 0 HB3 ALA B 111 -6.922 6.483 -5.398 1.00 45.25 H new ATOM 1911 N LEU B 112 -7.810 3.631 -5.274 1.00 4.44 N ATOM 1912 CA LEU B 112 -7.992 2.423 -6.104 1.00 43.52 C ATOM 1913 C LEU B 112 -8.849 1.356 -5.376 1.00 33.14 C ATOM 1914 O LEU B 112 -9.742 0.755 -5.986 1.00 15.11 O ATOM 1915 CB LEU B 112 -6.599 1.850 -6.507 1.00 4.12 C ATOM 1916 CG LEU B 112 -5.766 2.743 -7.485 1.00 53.14 C ATOM 1917 CD1 LEU B 112 -4.313 2.260 -7.615 1.00 42.33 C ATOM 1918 CD2 LEU B 112 -6.435 2.821 -8.868 1.00 63.22 C ATOM 0 H LEU B 112 -6.848 3.770 -4.965 1.00 4.44 H new ATOM 0 HA LEU B 112 -8.534 2.701 -7.008 1.00 43.52 H new ATOM 0 HB2 LEU B 112 -6.015 1.689 -5.601 1.00 4.12 H new ATOM 0 HB3 LEU B 112 -6.746 0.874 -6.969 1.00 4.12 H new ATOM 0 HG LEU B 112 -5.740 3.744 -7.055 1.00 53.14 H new ATOM 0 HD11 LEU B 112 -3.774 2.910 -8.304 1.00 42.33 H new ATOM 0 HD12 LEU B 112 -3.831 2.288 -6.638 1.00 42.33 H new ATOM 0 HD13 LEU B 112 -4.302 1.239 -7.996 1.00 42.33 H new ATOM 0 HD21 LEU B 112 -5.835 3.448 -9.528 1.00 63.22 H new ATOM 0 HD22 LEU B 112 -6.513 1.820 -9.291 1.00 63.22 H new ATOM 0 HD23 LEU B 112 -7.431 3.251 -8.766 1.00 63.22 H new ATOM 1930 N VAL B 113 -8.593 1.163 -4.059 1.00 20.10 N ATOM 1931 CA VAL B 113 -9.293 0.139 -3.248 1.00 63.15 C ATOM 1932 C VAL B 113 -10.784 0.492 -3.083 1.00 54.33 C ATOM 1933 O VAL B 113 -11.656 -0.363 -3.285 1.00 55.43 O ATOM 1934 CB VAL B 113 -8.648 -0.060 -1.822 1.00 72.34 C ATOM 1935 CG1 VAL B 113 -9.357 -1.186 -1.030 1.00 51.10 C ATOM 1936 CG2 VAL B 113 -7.140 -0.349 -1.906 1.00 61.24 C ATOM 0 H VAL B 113 -7.905 1.705 -3.536 1.00 20.10 H new ATOM 0 HA VAL B 113 -9.191 -0.798 -3.795 1.00 63.15 H new ATOM 0 HB VAL B 113 -8.784 0.881 -1.289 1.00 72.34 H new ATOM 0 HG11 VAL B 113 -8.887 -1.295 -0.053 1.00 51.10 H new ATOM 0 HG12 VAL B 113 -10.409 -0.932 -0.900 1.00 51.10 H new ATOM 0 HG13 VAL B 113 -9.275 -2.124 -1.579 1.00 51.10 H new ATOM 0 HG21 VAL B 113 -6.738 -0.479 -0.901 1.00 61.24 H new ATOM 0 HG22 VAL B 113 -6.976 -1.259 -2.483 1.00 61.24 H new ATOM 0 HG23 VAL B 113 -6.636 0.486 -2.393 1.00 61.24 H new ATOM 1946 N ARG B 114 -11.061 1.766 -2.733 1.00 64.33 N ATOM 1947 CA ARG B 114 -12.427 2.223 -2.403 1.00 33.13 C ATOM 1948 C ARG B 114 -13.373 2.170 -3.626 1.00 54.41 C ATOM 1949 O ARG B 114 -14.569 1.925 -3.474 1.00 21.44 O ATOM 1950 CB ARG B 114 -12.398 3.633 -1.739 1.00 55.30 C ATOM 1951 CG ARG B 114 -11.860 4.794 -2.620 1.00 3.32 C ATOM 1952 CD ARG B 114 -12.931 5.548 -3.435 1.00 42.32 C ATOM 1953 NE ARG B 114 -12.320 6.504 -4.371 1.00 15.41 N ATOM 1954 CZ ARG B 114 -12.931 7.585 -4.887 1.00 73.24 C ATOM 1955 NH1 ARG B 114 -14.196 7.881 -4.576 1.00 11.03 N ATOM 1956 NH2 ARG B 114 -12.278 8.357 -5.735 1.00 3.44 N ATOM 0 H ARG B 114 -10.354 2.498 -2.672 1.00 64.33 H new ATOM 0 HA ARG B 114 -12.839 1.526 -1.673 1.00 33.13 H new ATOM 0 HB2 ARG B 114 -13.410 3.884 -1.422 1.00 55.30 H new ATOM 0 HB3 ARG B 114 -11.787 3.575 -0.838 1.00 55.30 H new ATOM 0 HG2 ARG B 114 -11.345 5.508 -1.978 1.00 3.32 H new ATOM 0 HG3 ARG B 114 -11.117 4.392 -3.309 1.00 3.32 H new ATOM 0 HD2 ARG B 114 -13.539 4.833 -3.989 1.00 42.32 H new ATOM 0 HD3 ARG B 114 -13.600 6.078 -2.757 1.00 42.32 H new ATOM 0 HE ARG B 114 -11.354 6.333 -4.651 1.00 15.41 H new ATOM 0 HH11 ARG B 114 -14.717 7.282 -3.936 1.00 11.03 H new ATOM 0 HH12 ARG B 114 -14.641 8.706 -4.979 1.00 11.03 H new ATOM 0 HH21 ARG B 114 -11.318 8.132 -5.994 1.00 3.44 H new ATOM 0 HH22 ARG B 114 -12.734 9.179 -6.131 1.00 3.44 H new ATOM 1970 N GLU B 115 -12.826 2.396 -4.835 1.00 1.20 N ATOM 1971 CA GLU B 115 -13.605 2.309 -6.088 1.00 41.41 C ATOM 1972 C GLU B 115 -13.976 0.848 -6.396 1.00 23.41 C ATOM 1973 O GLU B 115 -15.056 0.573 -6.930 1.00 13.51 O ATOM 1974 CB GLU B 115 -12.823 2.951 -7.262 1.00 42.01 C ATOM 1975 CG GLU B 115 -12.644 4.475 -7.108 1.00 21.21 C ATOM 1976 CD GLU B 115 -11.894 5.127 -8.277 1.00 42.43 C ATOM 1977 OE1 GLU B 115 -12.509 5.321 -9.350 1.00 20.02 O ATOM 1978 OE2 GLU B 115 -10.690 5.443 -8.134 1.00 61.51 O ATOM 0 H GLU B 115 -11.845 2.641 -4.972 1.00 1.20 H new ATOM 0 HA GLU B 115 -14.532 2.868 -5.959 1.00 41.41 H new ATOM 0 HB2 GLU B 115 -11.842 2.482 -7.337 1.00 42.01 H new ATOM 0 HB3 GLU B 115 -13.347 2.745 -8.195 1.00 42.01 H new ATOM 0 HG2 GLU B 115 -13.625 4.940 -7.013 1.00 21.21 H new ATOM 0 HG3 GLU B 115 -12.104 4.677 -6.183 1.00 21.21 H new ATOM 1985 N CYS B 116 -13.080 -0.086 -6.032 1.00 63.22 N ATOM 1986 CA CYS B 116 -13.312 -1.525 -6.208 1.00 41.43 C ATOM 1987 C CYS B 116 -14.258 -2.091 -5.116 1.00 44.33 C ATOM 1988 O CYS B 116 -14.817 -3.164 -5.302 1.00 20.11 O ATOM 1989 CB CYS B 116 -11.976 -2.284 -6.251 1.00 5.10 C ATOM 1990 SG CYS B 116 -10.867 -1.709 -7.549 1.00 32.03 S ATOM 0 H CYS B 116 -12.179 0.137 -5.609 1.00 63.22 H new ATOM 0 HA CYS B 116 -13.814 -1.671 -7.164 1.00 41.43 H new ATOM 0 HB2 CYS B 116 -11.478 -2.183 -5.287 1.00 5.10 H new ATOM 0 HB3 CYS B 116 -12.175 -3.346 -6.397 1.00 5.10 H new ATOM 0 HG CYS B 116 -10.244 -0.642 -7.146 1.00 32.03 H new ATOM 1996 N LEU B 117 -14.413 -1.381 -3.966 1.00 40.52 N ATOM 1997 CA LEU B 117 -15.442 -1.725 -2.941 1.00 22.53 C ATOM 1998 C LEU B 117 -16.853 -1.788 -3.581 1.00 4.45 C ATOM 1999 O LEU B 117 -17.694 -2.605 -3.189 1.00 12.44 O ATOM 2000 CB LEU B 117 -15.439 -0.696 -1.768 1.00 0.23 C ATOM 2001 CG LEU B 117 -14.266 -0.791 -0.739 1.00 74.30 C ATOM 2002 CD1 LEU B 117 -14.306 0.389 0.252 1.00 45.42 C ATOM 2003 CD2 LEU B 117 -14.298 -2.129 0.027 1.00 40.20 C ATOM 0 H LEU B 117 -13.843 -0.571 -3.724 1.00 40.52 H new ATOM 0 HA LEU B 117 -15.189 -2.706 -2.539 1.00 22.53 H new ATOM 0 HB2 LEU B 117 -15.432 0.306 -2.197 1.00 0.23 H new ATOM 0 HB3 LEU B 117 -16.377 -0.802 -1.223 1.00 0.23 H new ATOM 0 HG LEU B 117 -13.334 -0.743 -1.302 1.00 74.30 H new ATOM 0 HD11 LEU B 117 -13.480 0.300 0.957 1.00 45.42 H new ATOM 0 HD12 LEU B 117 -14.216 1.327 -0.296 1.00 45.42 H new ATOM 0 HD13 LEU B 117 -15.251 0.375 0.796 1.00 45.42 H new ATOM 0 HD21 LEU B 117 -13.469 -2.163 0.734 1.00 40.20 H new ATOM 0 HD22 LEU B 117 -15.240 -2.216 0.568 1.00 40.20 H new ATOM 0 HD23 LEU B 117 -14.207 -2.955 -0.679 1.00 40.20 H new