USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 713 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 57 THR OG1 : rot 87:sc= 1.17 USER MOD Set 1.2: A 128 HIS : no HD1:sc= -3.18 K(o=-2,f=-4) USER MOD Set 2.1: A 73 THR OG1 : rot -81:sc= 0.42 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -1.72! X(o=-1.3!,f=-1.2) USER MOD Set 3.1: A 44 MET CE :methyl 147:sc= -0.994 (180deg=-2.15!) USER MOD Set 3.2: A 47 GLN :FLIP amide:sc= -0.0475 F(o=-1.7,f=-1) USER MOD Single : A 45 MET CE :methyl -107:sc= -7.25! (180deg=-13!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.0322 (180deg=-0.35) USER MOD Single : A 52 THR OG1 : rot -42:sc= -0.218 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc=-0.00266 (180deg=-0.115) USER MOD Single : A 60 GLN : amide:sc= -0.894! K(o=-0.89!,f=-4.3) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.136 F(o=-2.1!,f=-0.14) USER MOD Single : A 67 LYS NZ :NH3+ 147:sc= -1.14 (180deg=-2.84!) USER MOD Single : A 71 GLN :FLIP amide:sc= -7.29! C(o=-8.5!,f=-7.3!) USER MOD Single : A 75 THR OG1 : rot -40:sc= 1.21 USER MOD Single : A 82 MET CE :methyl 161:sc=-0.00912 (180deg=-0.581) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.2 F(o=-2.3,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.942 X(o=-0.94,f=-0.45) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -110:sc= -1.09 (180deg=-2.51!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -18:sc= 0.199 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1.49! X(o=-1.5!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -12.740 -2.501 2.339 1.00 0.41 N ATOM 224 CA MET A 44 -12.053 -2.210 3.586 1.00 0.41 C ATOM 225 C MET A 44 -10.921 -1.208 3.359 1.00 0.31 C ATOM 226 O MET A 44 -10.786 -0.251 4.110 1.00 0.28 O ATOM 227 CB MET A 44 -11.519 -3.494 4.224 1.00 0.50 C ATOM 228 CG MET A 44 -12.607 -4.450 4.700 1.00 0.82 C ATOM 229 SD MET A 44 -13.769 -3.696 5.864 1.00 1.59 S ATOM 230 CE MET A 44 -15.027 -3.046 4.761 1.00 1.62 C ATOM 0 HA MET A 44 -12.771 -1.763 4.273 1.00 0.41 H new ATOM 0 HB2 MET A 44 -10.887 -4.010 3.502 1.00 0.50 H new ATOM 0 HB3 MET A 44 -10.886 -3.230 5.071 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.159 -4.820 3.836 1.00 0.82 H new ATOM 0 HG3 MET A 44 -12.140 -5.314 5.173 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.000 -3.096 5.249 1.00 1.62 H new ATOM 0 HE2 MET A 44 -14.797 -2.009 4.517 1.00 1.62 H new ATOM 0 HE3 MET A 44 -15.049 -3.637 3.846 1.00 1.62 H new ATOM 240 N MET A 45 -10.113 -1.420 2.321 1.00 0.28 N ATOM 241 CA MET A 45 -9.057 -0.464 1.986 1.00 0.22 C ATOM 242 C MET A 45 -9.652 0.825 1.451 1.00 0.20 C ATOM 243 O MET A 45 -9.125 1.904 1.696 1.00 0.20 O ATOM 244 CB MET A 45 -8.084 -1.009 0.940 1.00 0.24 C ATOM 245 CG MET A 45 -8.632 -0.958 -0.476 1.00 0.32 C ATOM 246 SD MET A 45 -7.479 -0.258 -1.658 1.00 0.98 S ATOM 247 CE MET A 45 -6.161 -1.450 -1.552 1.00 0.22 C ATOM 0 H MET A 45 -10.167 -2.232 1.706 1.00 0.28 H new ATOM 0 HA MET A 45 -8.510 -0.281 2.911 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.157 -0.438 0.984 1.00 0.24 H new ATOM 0 HB3 MET A 45 -7.835 -2.041 1.189 1.00 0.24 H new ATOM 0 HG2 MET A 45 -8.898 -1.967 -0.792 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.550 -0.370 -0.482 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.318 -1.014 -1.017 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.512 -2.334 -1.019 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.845 -1.734 -2.556 1.00 0.22 H new ATOM 257 N SER A 46 -10.733 0.703 0.697 1.00 0.24 N ATOM 258 CA SER A 46 -11.360 1.853 0.092 1.00 0.30 C ATOM 259 C SER A 46 -11.682 2.885 1.166 1.00 0.27 C ATOM 260 O SER A 46 -11.369 4.067 1.023 1.00 0.30 O ATOM 261 CB SER A 46 -12.616 1.424 -0.664 1.00 0.39 C ATOM 262 OG SER A 46 -13.173 2.503 -1.398 1.00 0.53 O ATOM 0 H SER A 46 -11.190 -0.185 0.493 1.00 0.24 H new ATOM 0 HA SER A 46 -10.678 2.310 -0.625 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.372 0.607 -1.344 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.354 1.042 0.041 1.00 0.39 H new ATOM 0 HG SER A 46 -13.974 2.197 -1.872 1.00 0.53 H new ATOM 268 N GLN A 47 -12.293 2.430 2.251 1.00 0.25 N ATOM 269 CA GLN A 47 -12.520 3.290 3.396 1.00 0.27 C ATOM 270 C GLN A 47 -11.237 3.501 4.218 1.00 0.24 C ATOM 271 O GLN A 47 -10.804 4.639 4.395 1.00 0.29 O ATOM 272 CB GLN A 47 -13.672 2.762 4.269 1.00 0.30 C ATOM 273 CG GLN A 47 -13.545 1.302 4.674 1.00 0.33 C ATOM 274 CD GLN A 47 -14.745 0.807 5.460 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.745 0.291 4.762 1.00 1.10 O flip ATOM 276 NE2 GLN A 47 -14.775 0.889 6.686 1.00 1.11 N flip ATOM 0 H GLN A 47 -12.637 1.476 2.359 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.816 4.267 3.015 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.735 3.371 5.171 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.609 2.895 3.729 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.424 0.690 3.780 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.644 1.172 5.274 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -13.985 1.293 7.190 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.590 0.553 7.200 1.00 1.11 H new ATOM 285 N ALA A 48 -10.608 2.416 4.684 1.00 0.21 N ATOM 286 CA ALA A 48 -9.486 2.526 5.623 1.00 0.22 C ATOM 287 C ALA A 48 -8.238 3.107 4.976 1.00 0.20 C ATOM 288 O ALA A 48 -7.714 4.104 5.452 1.00 0.22 O ATOM 289 CB ALA A 48 -9.152 1.180 6.254 1.00 0.24 C ATOM 0 H ALA A 48 -10.854 1.460 4.429 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.815 3.215 6.401 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.316 1.299 6.944 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.021 0.807 6.797 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -8.880 0.470 5.473 1.00 0.24 H new ATOM 295 N LEU A 49 -7.781 2.516 3.873 1.00 0.18 N ATOM 296 CA LEU A 49 -6.504 2.892 3.272 1.00 0.18 C ATOM 297 C LEU A 49 -6.544 4.298 2.737 1.00 0.19 C ATOM 298 O LEU A 49 -5.722 5.138 3.091 1.00 0.21 O ATOM 299 CB LEU A 49 -6.149 1.967 2.108 1.00 0.23 C ATOM 300 CG LEU A 49 -5.004 1.001 2.362 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.584 0.378 1.052 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.824 1.691 3.040 1.00 0.58 C ATOM 0 H LEU A 49 -8.277 1.775 3.378 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.756 2.812 4.061 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.035 1.390 1.843 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.897 2.581 1.243 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.348 0.222 3.043 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.762 -0.317 1.226 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.427 -0.159 0.618 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.259 1.159 0.365 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.025 0.968 3.205 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.458 2.496 2.403 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.144 2.103 3.997 1.00 0.58 H new ATOM 314 N LYS A 50 -7.501 4.537 1.870 1.00 0.19 N ATOM 315 CA LYS A 50 -7.565 5.779 1.135 1.00 0.21 C ATOM 316 C LYS A 50 -7.704 6.972 2.085 1.00 0.23 C ATOM 317 O LYS A 50 -7.233 8.073 1.796 1.00 0.27 O ATOM 318 CB LYS A 50 -8.703 5.709 0.116 1.00 0.22 C ATOM 319 CG LYS A 50 -8.708 4.398 -0.677 1.00 0.20 C ATOM 320 CD LYS A 50 -7.384 4.152 -1.412 1.00 0.21 C ATOM 321 CE LYS A 50 -7.215 5.076 -2.606 1.00 0.24 C ATOM 322 NZ LYS A 50 -8.234 4.805 -3.651 1.00 0.55 N ATOM 0 H LYS A 50 -8.252 3.881 1.655 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.633 5.928 0.590 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.656 5.819 0.634 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.617 6.547 -0.576 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.903 3.567 0.001 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.523 4.417 -1.400 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.554 4.297 -0.721 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.343 3.116 -1.747 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.294 6.113 -2.279 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.218 4.950 -3.027 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.923 5.217 -4.554 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -8.353 3.778 -3.762 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -9.141 5.230 -3.370 1.00 0.55 H new ATOM 336 N ALA A 51 -8.353 6.742 3.219 1.00 0.22 N ATOM 337 CA ALA A 51 -8.438 7.743 4.276 1.00 0.23 C ATOM 338 C ALA A 51 -7.162 7.797 5.127 1.00 0.23 C ATOM 339 O ALA A 51 -6.732 8.874 5.542 1.00 0.26 O ATOM 340 CB ALA A 51 -9.646 7.482 5.157 1.00 0.25 C ATOM 0 H ALA A 51 -8.831 5.866 3.432 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.549 8.714 3.792 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.695 8.238 5.941 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.553 7.526 4.554 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.559 6.495 5.610 1.00 0.25 H new ATOM 346 N THR A 52 -6.560 6.638 5.387 1.00 0.21 N ATOM 347 CA THR A 52 -5.468 6.530 6.356 1.00 0.22 C ATOM 348 C THR A 52 -4.131 7.025 5.808 1.00 0.21 C ATOM 349 O THR A 52 -3.176 7.192 6.567 1.00 0.23 O ATOM 350 CB THR A 52 -5.300 5.067 6.837 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.527 5.022 8.042 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.626 4.206 5.772 1.00 0.18 C ATOM 0 H THR A 52 -6.810 5.757 4.939 1.00 0.21 H new ATOM 0 HA THR A 52 -5.748 7.172 7.191 1.00 0.22 H new ATOM 0 HB THR A 52 -6.297 4.669 7.028 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.771 5.641 7.969 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.523 3.185 6.141 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.233 4.205 4.867 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.640 4.612 5.547 1.00 0.18 H new ATOM 360 N PHE A 53 -4.067 7.286 4.505 1.00 0.23 N ATOM 361 CA PHE A 53 -2.794 7.568 3.841 1.00 0.27 C ATOM 362 C PHE A 53 -2.003 8.682 4.514 1.00 0.32 C ATOM 363 O PHE A 53 -0.771 8.667 4.494 1.00 0.34 O ATOM 364 CB PHE A 53 -3.002 7.914 2.370 1.00 0.31 C ATOM 365 CG PHE A 53 -3.426 6.747 1.544 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.838 5.508 1.724 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.410 6.885 0.592 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.226 4.428 0.962 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.803 5.809 -0.172 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.209 4.577 0.013 1.00 0.38 C ATOM 0 H PHE A 53 -4.879 7.308 3.888 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.211 6.651 3.923 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.755 8.699 2.291 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -2.075 8.320 1.965 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.067 5.386 2.470 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.879 7.847 0.443 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.759 3.466 1.110 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.576 5.929 -0.916 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.516 3.732 -0.586 1.00 0.38 H new ATOM 380 N SER A 54 -2.711 9.622 5.123 1.00 0.36 N ATOM 381 CA SER A 54 -2.084 10.741 5.814 1.00 0.44 C ATOM 382 C SER A 54 -1.095 10.257 6.879 1.00 0.39 C ATOM 383 O SER A 54 -0.167 10.977 7.245 1.00 0.46 O ATOM 384 CB SER A 54 -3.163 11.610 6.456 1.00 0.55 C ATOM 385 OG SER A 54 -4.062 12.107 5.481 1.00 1.37 O ATOM 0 H SER A 54 -3.731 9.632 5.153 1.00 0.36 H new ATOM 0 HA SER A 54 -1.525 11.327 5.084 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.710 11.028 7.197 1.00 0.55 H new ATOM 0 HB3 SER A 54 -2.698 12.442 6.985 1.00 0.55 H new ATOM 0 HG SER A 54 -4.745 12.659 5.917 1.00 1.37 H new ATOM 391 N GLY A 55 -1.309 9.043 7.374 1.00 0.31 N ATOM 392 CA GLY A 55 -0.422 8.464 8.362 1.00 0.28 C ATOM 393 C GLY A 55 1.020 8.377 7.894 1.00 0.22 C ATOM 394 O GLY A 55 1.891 9.073 8.417 1.00 0.25 O ATOM 0 H GLY A 55 -2.090 8.445 7.104 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.466 9.060 9.274 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.775 7.465 8.617 1.00 0.28 H new ATOM 398 N PHE A 56 1.279 7.549 6.889 1.00 0.15 N ATOM 399 CA PHE A 56 2.650 7.322 6.450 1.00 0.12 C ATOM 400 C PHE A 56 3.116 8.420 5.523 1.00 0.13 C ATOM 401 O PHE A 56 4.221 8.901 5.661 1.00 0.17 O ATOM 402 CB PHE A 56 2.818 5.977 5.747 1.00 0.13 C ATOM 403 CG PHE A 56 4.255 5.666 5.434 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.070 5.061 6.376 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.782 5.954 4.187 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.383 4.752 6.079 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.095 5.650 3.887 1.00 0.26 C ATOM 408 CZ PHE A 56 6.924 5.132 4.874 1.00 0.28 C ATOM 0 H PHE A 56 0.570 7.031 6.370 1.00 0.15 H new ATOM 0 HA PHE A 56 3.260 7.320 7.353 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.408 5.188 6.377 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.241 5.979 4.823 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.675 4.828 7.354 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.159 6.422 3.440 1.00 0.20 H new ATOM 0 HE1 PHE A 56 6.985 4.211 6.794 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.476 5.814 2.890 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.984 5.029 4.696 1.00 0.28 H new ATOM 418 N THR A 57 2.268 8.811 4.587 1.00 0.16 N ATOM 419 CA THR A 57 2.638 9.811 3.582 1.00 0.24 C ATOM 420 C THR A 57 3.169 11.100 4.232 1.00 0.26 C ATOM 421 O THR A 57 4.042 11.772 3.682 1.00 0.35 O ATOM 422 CB THR A 57 1.445 10.167 2.684 1.00 0.32 C ATOM 423 OG1 THR A 57 0.821 8.973 2.181 1.00 0.39 O ATOM 424 CG2 THR A 57 1.884 11.033 1.513 1.00 0.46 C ATOM 0 H THR A 57 1.316 8.455 4.496 1.00 0.16 H new ATOM 0 HA THR A 57 3.428 9.364 2.978 1.00 0.24 H new ATOM 0 HB THR A 57 0.730 10.725 3.289 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.155 8.655 2.826 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.020 11.271 0.892 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.326 11.956 1.889 1.00 0.46 H new ATOM 0 HG23 THR A 57 2.621 10.494 0.918 1.00 0.46 H new ATOM 432 N LYS A 58 2.667 11.415 5.424 1.00 0.24 N ATOM 433 CA LYS A 58 3.094 12.614 6.132 1.00 0.31 C ATOM 434 C LYS A 58 4.431 12.366 6.825 1.00 0.29 C ATOM 435 O LYS A 58 5.322 13.214 6.809 1.00 0.31 O ATOM 436 CB LYS A 58 2.040 13.049 7.153 1.00 0.39 C ATOM 437 CG LYS A 58 2.555 14.067 8.156 1.00 0.50 C ATOM 438 CD LYS A 58 1.450 14.575 9.061 1.00 1.34 C ATOM 439 CE LYS A 58 2.020 15.323 10.251 1.00 1.93 C ATOM 440 NZ LYS A 58 2.635 14.400 11.244 1.00 2.52 N ATOM 0 H LYS A 58 1.968 10.858 5.916 1.00 0.24 H new ATOM 0 HA LYS A 58 3.215 13.417 5.405 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.185 13.471 6.624 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.681 12.171 7.690 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.341 13.615 8.761 1.00 0.50 H new ATOM 0 HG3 LYS A 58 3.004 14.906 7.624 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.788 15.232 8.498 1.00 1.34 H new ATOM 0 HD3 LYS A 58 0.847 13.737 9.409 1.00 1.34 H new ATOM 0 HE2 LYS A 58 2.768 16.037 9.907 1.00 1.93 H new ATOM 0 HE3 LYS A 58 1.228 15.898 10.731 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 2.782 14.904 12.142 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 2.004 13.589 11.401 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 3.550 14.062 10.883 1.00 2.52 H new ATOM 454 N GLU A 59 4.578 11.180 7.403 1.00 0.26 N ATOM 455 CA GLU A 59 5.779 10.851 8.156 1.00 0.25 C ATOM 456 C GLU A 59 6.876 10.385 7.206 1.00 0.21 C ATOM 457 O GLU A 59 8.055 10.393 7.541 1.00 0.24 O ATOM 458 CB GLU A 59 5.472 9.817 9.245 1.00 0.31 C ATOM 459 CG GLU A 59 6.329 8.573 9.213 1.00 0.43 C ATOM 460 CD GLU A 59 6.261 7.823 10.526 1.00 0.76 C ATOM 461 OE1 GLU A 59 5.252 7.128 10.770 1.00 0.97 O ATOM 462 OE2 GLU A 59 7.229 7.891 11.312 1.00 0.98 O ATOM 0 H GLU A 59 3.883 10.434 7.364 1.00 0.26 H new ATOM 0 HA GLU A 59 6.141 11.744 8.665 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.588 10.293 10.219 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.427 9.521 9.158 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.999 7.923 8.403 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.363 8.847 9.001 1.00 0.43 H new ATOM 469 N GLN A 60 6.460 9.990 6.015 1.00 0.19 N ATOM 470 CA GLN A 60 7.362 9.704 4.917 1.00 0.19 C ATOM 471 C GLN A 60 8.235 10.921 4.701 1.00 0.22 C ATOM 472 O GLN A 60 9.453 10.837 4.641 1.00 0.23 O ATOM 473 CB GLN A 60 6.539 9.421 3.658 1.00 0.21 C ATOM 474 CG GLN A 60 7.254 8.631 2.586 1.00 0.28 C ATOM 475 CD GLN A 60 6.319 8.282 1.446 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.116 8.117 1.643 1.00 0.90 O ATOM 477 NE2 GLN A 60 6.858 8.179 0.252 1.00 0.26 N ATOM 0 H GLN A 60 5.476 9.858 5.783 1.00 0.19 H new ATOM 0 HA GLN A 60 7.982 8.835 5.138 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.638 8.879 3.946 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.217 10.371 3.233 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.096 9.209 2.205 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.664 7.717 3.016 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.860 8.323 0.131 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.274 7.955 -0.554 1.00 0.26 H new ATOM 486 N GLN A 61 7.571 12.062 4.640 1.00 0.28 N ATOM 487 CA GLN A 61 8.245 13.346 4.510 1.00 0.34 C ATOM 488 C GLN A 61 9.144 13.600 5.721 1.00 0.34 C ATOM 489 O GLN A 61 10.268 14.083 5.589 1.00 0.37 O ATOM 490 CB GLN A 61 7.206 14.459 4.409 1.00 0.45 C ATOM 491 CG GLN A 61 6.156 14.231 3.331 1.00 0.58 C ATOM 492 CD GLN A 61 6.755 13.995 1.958 1.00 0.77 C ATOM 493 OE1 GLN A 61 6.992 12.736 1.621 1.00 1.23 O flip ATOM 494 NE2 GLN A 61 6.993 14.933 1.201 1.00 1.12 N flip ATOM 0 H GLN A 61 6.554 12.127 4.679 1.00 0.28 H new ATOM 0 HA GLN A 61 8.859 13.331 3.610 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.706 14.564 5.372 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.716 15.401 4.211 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.542 13.373 3.606 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.494 15.096 3.288 1.00 0.58 H new ATOM 0 HE21 GLN A 61 6.797 15.889 1.497 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.387 14.755 0.277 1.00 1.12 H new ATOM 503 N ARG A 62 8.629 13.249 6.895 1.00 0.34 N ATOM 504 CA ARG A 62 9.324 13.462 8.163 1.00 0.39 C ATOM 505 C ARG A 62 10.616 12.642 8.216 1.00 0.36 C ATOM 506 O ARG A 62 11.690 13.160 8.522 1.00 0.41 O ATOM 507 CB ARG A 62 8.390 13.061 9.314 1.00 0.44 C ATOM 508 CG ARG A 62 8.693 13.730 10.646 1.00 0.58 C ATOM 509 CD ARG A 62 10.056 13.343 11.192 1.00 1.13 C ATOM 510 NE ARG A 62 10.775 14.497 11.720 1.00 1.93 N ATOM 511 CZ ARG A 62 12.098 14.541 11.875 1.00 2.74 C ATOM 512 NH1 ARG A 62 12.843 13.493 11.545 1.00 2.99 N ATOM 513 NH2 ARG A 62 12.676 15.632 12.360 1.00 3.73 N ATOM 0 H ARG A 62 7.715 12.807 6.996 1.00 0.34 H new ATOM 0 HA ARG A 62 9.592 14.514 8.256 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.365 13.298 9.030 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.443 11.980 9.446 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.647 14.812 10.524 1.00 0.58 H new ATOM 0 HG3 ARG A 62 7.924 13.458 11.369 1.00 0.58 H new ATOM 0 HD2 ARG A 62 9.934 12.599 11.979 1.00 1.13 H new ATOM 0 HD3 ARG A 62 10.645 12.878 10.402 1.00 1.13 H new ATOM 0 HE ARG A 62 10.233 15.319 11.986 1.00 1.93 H new ATOM 0 HH11 ARG A 62 12.403 12.652 11.172 1.00 2.99 H new ATOM 0 HH12 ARG A 62 13.855 13.529 11.664 1.00 2.99 H new ATOM 0 HH21 ARG A 62 12.108 16.440 12.615 1.00 3.73 H new ATOM 0 HH22 ARG A 62 13.689 15.663 12.478 1.00 3.73 H new ATOM 527 N LEU A 63 10.495 11.360 7.906 1.00 0.30 N ATOM 528 CA LEU A 63 11.621 10.426 7.925 1.00 0.32 C ATOM 529 C LEU A 63 12.519 10.608 6.720 1.00 0.31 C ATOM 530 O LEU A 63 13.384 9.774 6.448 1.00 0.37 O ATOM 531 CB LEU A 63 11.098 8.989 7.997 1.00 0.33 C ATOM 532 CG LEU A 63 10.277 8.665 9.247 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.645 7.288 9.131 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.149 8.750 10.492 1.00 0.65 C ATOM 0 H LEU A 63 9.611 10.932 7.632 1.00 0.30 H new ATOM 0 HA LEU A 63 12.222 10.635 8.810 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.484 8.796 7.117 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.946 8.306 7.950 1.00 0.33 H new ATOM 0 HG LEU A 63 9.478 9.401 9.334 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.066 7.077 10.030 1.00 1.01 H new ATOM 0 HD12 LEU A 63 8.988 7.261 8.261 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.427 6.537 9.019 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.550 8.517 11.372 1.00 0.65 H new ATOM 0 HD22 LEU A 63 11.969 8.036 10.411 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.553 9.758 10.585 1.00 0.65 H new ATOM 546 N GLY A 64 12.317 11.708 6.010 1.00 0.28 N ATOM 547 CA GLY A 64 13.130 12.008 4.849 1.00 0.30 C ATOM 548 C GLY A 64 12.987 10.947 3.788 1.00 0.27 C ATOM 549 O GLY A 64 13.860 10.778 2.936 1.00 0.33 O ATOM 0 H GLY A 64 11.600 12.402 6.219 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.839 12.975 4.440 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.176 12.089 5.146 1.00 0.30 H new ATOM 553 N ILE A 65 11.883 10.221 3.854 1.00 0.22 N ATOM 554 CA ILE A 65 11.626 9.158 2.923 1.00 0.20 C ATOM 555 C ILE A 65 11.056 9.742 1.637 1.00 0.21 C ATOM 556 O ILE A 65 10.051 10.454 1.669 1.00 0.23 O ATOM 557 CB ILE A 65 10.647 8.100 3.487 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.198 7.491 4.778 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.395 7.007 2.456 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.391 6.313 5.291 1.00 0.20 C ATOM 0 H ILE A 65 11.151 10.358 4.552 1.00 0.22 H new ATOM 0 HA ILE A 65 12.573 8.654 2.730 1.00 0.20 H new ATOM 0 HB ILE A 65 9.702 8.594 3.713 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.225 7.169 4.608 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.229 8.262 5.548 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.705 6.271 2.868 1.00 0.19 H new ATOM 0 HG22 ILE A 65 9.963 7.447 1.557 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.337 6.520 2.204 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.842 5.935 6.208 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.369 6.633 5.494 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.381 5.524 4.539 1.00 0.20 H new ATOM 572 N PRO A 66 11.717 9.473 0.502 1.00 0.24 N ATOM 573 CA PRO A 66 11.271 9.937 -0.820 1.00 0.27 C ATOM 574 C PRO A 66 9.789 9.644 -1.059 1.00 0.22 C ATOM 575 O PRO A 66 9.296 8.595 -0.668 1.00 0.23 O ATOM 576 CB PRO A 66 12.124 9.110 -1.775 1.00 0.35 C ATOM 577 CG PRO A 66 13.359 8.764 -1.017 1.00 0.26 C ATOM 578 CD PRO A 66 12.964 8.691 0.428 1.00 0.31 C ATOM 0 HA PRO A 66 11.380 11.015 -0.939 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.596 8.211 -2.093 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.363 9.675 -2.676 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.769 7.812 -1.356 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.132 9.517 -1.170 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.807 7.660 0.746 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.736 9.110 1.074 1.00 0.31 H new ATOM 586 N LYS A 67 9.088 10.595 -1.674 1.00 0.25 N ATOM 587 CA LYS A 67 7.652 10.477 -1.954 1.00 0.27 C ATOM 588 C LYS A 67 7.330 9.287 -2.863 1.00 0.25 C ATOM 589 O LYS A 67 6.453 8.485 -2.553 1.00 0.36 O ATOM 590 CB LYS A 67 7.153 11.768 -2.609 1.00 0.43 C ATOM 591 CG LYS A 67 7.353 13.001 -1.745 1.00 1.04 C ATOM 592 CD LYS A 67 6.977 14.290 -2.469 1.00 1.15 C ATOM 593 CE LYS A 67 8.086 14.782 -3.395 1.00 1.67 C ATOM 594 NZ LYS A 67 8.237 13.945 -4.614 1.00 2.42 N ATOM 0 H LYS A 67 9.498 11.472 -1.994 1.00 0.25 H new ATOM 0 HA LYS A 67 7.146 10.309 -1.003 1.00 0.27 H new ATOM 0 HB2 LYS A 67 7.672 11.910 -3.557 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.093 11.663 -2.839 1.00 0.43 H new ATOM 0 HG2 LYS A 67 6.752 12.908 -0.840 1.00 1.04 H new ATOM 0 HG3 LYS A 67 8.395 13.055 -1.431 1.00 1.04 H new ATOM 0 HD2 LYS A 67 6.069 14.126 -3.049 1.00 1.15 H new ATOM 0 HD3 LYS A 67 6.751 15.063 -1.735 1.00 1.15 H new ATOM 0 HE2 LYS A 67 7.876 15.810 -3.690 1.00 1.67 H new ATOM 0 HE3 LYS A 67 9.029 14.793 -2.849 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 8.534 14.543 -5.411 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 8.955 13.212 -4.445 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 7.328 13.494 -4.840 1.00 2.42 H new ATOM 608 N ASP A 68 8.022 9.197 -3.992 1.00 0.28 N ATOM 609 CA ASP A 68 7.841 8.078 -4.910 1.00 0.28 C ATOM 610 C ASP A 68 8.436 6.827 -4.310 1.00 0.21 C ATOM 611 O ASP A 68 9.176 6.888 -3.339 1.00 0.23 O ATOM 612 CB ASP A 68 8.514 8.363 -6.258 1.00 0.39 C ATOM 613 CG ASP A 68 7.654 9.166 -7.208 1.00 1.12 C ATOM 614 OD1 ASP A 68 7.569 10.403 -7.032 1.00 1.65 O ATOM 615 OD2 ASP A 68 7.032 8.567 -8.108 1.00 1.88 O ATOM 0 H ASP A 68 8.713 9.884 -4.294 1.00 0.28 H new ATOM 0 HA ASP A 68 6.773 7.939 -5.075 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.446 8.901 -6.083 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.776 7.416 -6.731 1.00 0.39 H new ATOM 620 N PRO A 69 8.080 5.666 -4.850 1.00 0.19 N ATOM 621 CA PRO A 69 8.686 4.406 -4.457 1.00 0.20 C ATOM 622 C PRO A 69 9.913 4.062 -5.287 1.00 0.26 C ATOM 623 O PRO A 69 10.757 3.314 -4.843 1.00 0.65 O ATOM 624 CB PRO A 69 7.571 3.417 -4.741 1.00 0.40 C ATOM 625 CG PRO A 69 6.863 3.978 -5.928 1.00 0.37 C ATOM 626 CD PRO A 69 7.003 5.475 -5.839 1.00 0.22 C ATOM 0 HA PRO A 69 9.041 4.417 -3.426 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.967 2.423 -4.949 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.899 3.321 -3.888 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.299 3.602 -6.854 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.813 3.686 -5.928 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.263 5.911 -6.804 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.074 5.946 -5.516 1.00 0.22 H new ATOM 634 N ARG A 70 10.030 4.675 -6.459 1.00 0.20 N ATOM 635 CA ARG A 70 10.993 4.252 -7.495 1.00 0.26 C ATOM 636 C ARG A 70 12.456 4.390 -7.056 1.00 0.19 C ATOM 637 O ARG A 70 13.365 3.968 -7.771 1.00 0.27 O ATOM 638 CB ARG A 70 10.809 5.069 -8.783 1.00 0.46 C ATOM 639 CG ARG A 70 9.579 5.967 -8.820 1.00 0.96 C ATOM 640 CD ARG A 70 8.322 5.213 -9.221 1.00 0.87 C ATOM 641 NE ARG A 70 7.217 6.132 -9.488 1.00 1.06 N ATOM 642 CZ ARG A 70 6.212 5.871 -10.322 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.125 4.687 -10.918 1.00 1.89 N ATOM 644 NH2 ARG A 70 5.292 6.795 -10.557 1.00 1.79 N ATOM 0 H ARG A 70 9.465 5.480 -6.728 1.00 0.20 H new ATOM 0 HA ARG A 70 10.782 3.197 -7.669 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.694 5.688 -8.929 1.00 0.46 H new ATOM 0 HB3 ARG A 70 10.760 4.380 -9.626 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.432 6.417 -7.838 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.749 6.783 -9.522 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.522 4.613 -10.109 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.040 4.522 -8.426 1.00 0.87 H new ATOM 0 HE ARG A 70 7.216 7.030 -9.005 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.830 3.972 -10.738 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.353 4.493 -11.556 1.00 1.89 H new ATOM 0 HH21 ARG A 70 5.354 7.705 -10.099 1.00 1.79 H new ATOM 0 HH22 ARG A 70 4.522 6.597 -11.195 1.00 1.79 H new ATOM 658 N GLN A 71 12.678 4.973 -5.895 1.00 0.16 N ATOM 659 CA GLN A 71 14.027 5.304 -5.448 1.00 0.16 C ATOM 660 C GLN A 71 14.223 4.988 -3.966 1.00 0.15 C ATOM 661 O GLN A 71 15.143 5.495 -3.328 1.00 0.18 O ATOM 662 CB GLN A 71 14.301 6.795 -5.693 1.00 0.20 C ATOM 663 CG GLN A 71 13.615 7.710 -4.690 1.00 0.38 C ATOM 664 CD GLN A 71 12.110 7.539 -4.666 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.634 6.557 -3.901 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.386 8.245 -5.356 1.00 0.29 N flip ATOM 0 H GLN A 71 11.942 5.230 -5.238 1.00 0.16 H new ATOM 0 HA GLN A 71 14.727 4.695 -6.019 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.376 6.970 -5.656 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.970 7.057 -6.698 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.013 7.513 -3.695 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.854 8.746 -4.929 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.791 8.986 -5.927 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.378 8.092 -5.359 1.00 0.29 H new ATOM 675 N TRP A 72 13.368 4.144 -3.414 1.00 0.12 N ATOM 676 CA TRP A 72 13.440 3.814 -2.003 1.00 0.11 C ATOM 677 C TRP A 72 14.540 2.802 -1.731 1.00 0.12 C ATOM 678 O TRP A 72 15.066 2.177 -2.646 1.00 0.14 O ATOM 679 CB TRP A 72 12.106 3.209 -1.566 1.00 0.11 C ATOM 680 CG TRP A 72 11.084 4.209 -1.160 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.257 5.546 -0.973 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.717 3.937 -0.869 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.075 6.116 -0.593 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.111 5.149 -0.522 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.947 2.780 -0.875 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.765 5.236 -0.182 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.616 2.867 -0.539 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.036 4.085 -0.197 1.00 0.10 C ATOM 0 H TRP A 72 12.617 3.676 -3.922 1.00 0.12 H new ATOM 0 HA TRP A 72 13.657 4.727 -1.448 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.706 2.610 -2.385 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.284 2.530 -0.732 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.188 6.076 -1.105 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.934 7.106 -0.394 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.386 1.829 -1.139 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.314 6.181 0.084 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.010 1.973 -0.541 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.988 4.118 0.061 1.00 0.10 H new ATOM 699 N THR A 73 14.942 2.705 -0.479 1.00 0.14 N ATOM 700 CA THR A 73 15.794 1.623 -0.036 1.00 0.15 C ATOM 701 C THR A 73 14.927 0.480 0.464 1.00 0.15 C ATOM 702 O THR A 73 13.706 0.639 0.570 1.00 0.16 O ATOM 703 CB THR A 73 16.722 2.090 1.099 1.00 0.18 C ATOM 704 OG1 THR A 73 15.930 2.620 2.173 1.00 0.19 O ATOM 705 CG2 THR A 73 17.688 3.159 0.611 1.00 0.21 C ATOM 0 H THR A 73 14.689 3.369 0.253 1.00 0.14 H new ATOM 0 HA THR A 73 16.407 1.293 -0.874 1.00 0.15 H new ATOM 0 HB THR A 73 17.301 1.234 1.445 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.668 3.541 1.963 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.332 3.471 1.434 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.300 2.756 -0.196 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.126 4.018 0.245 1.00 0.21 H new ATOM 713 N GLU A 74 15.535 -0.650 0.788 1.00 0.17 N ATOM 714 CA GLU A 74 14.788 -1.769 1.346 1.00 0.20 C ATOM 715 C GLU A 74 14.107 -1.363 2.652 1.00 0.19 C ATOM 716 O GLU A 74 13.047 -1.880 3.000 1.00 0.28 O ATOM 717 CB GLU A 74 15.709 -2.982 1.542 1.00 0.29 C ATOM 718 CG GLU A 74 16.987 -2.686 2.319 1.00 1.25 C ATOM 719 CD GLU A 74 16.906 -3.101 3.775 1.00 1.79 C ATOM 720 OE1 GLU A 74 16.282 -2.376 4.570 1.00 2.67 O ATOM 721 OE2 GLU A 74 17.465 -4.159 4.126 1.00 1.99 O ATOM 0 H GLU A 74 16.535 -0.818 0.676 1.00 0.17 H new ATOM 0 HA GLU A 74 14.006 -2.055 0.643 1.00 0.20 H new ATOM 0 HB2 GLU A 74 15.155 -3.763 2.063 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.978 -3.380 0.564 1.00 0.29 H new ATOM 0 HG2 GLU A 74 17.821 -3.204 1.846 1.00 1.25 H new ATOM 0 HG3 GLU A 74 17.201 -1.619 2.263 1.00 1.25 H new ATOM 728 N THR A 75 14.700 -0.400 3.348 1.00 0.18 N ATOM 729 CA THR A 75 14.157 0.074 4.609 1.00 0.21 C ATOM 730 C THR A 75 12.967 1.001 4.377 1.00 0.17 C ATOM 731 O THR A 75 11.988 0.964 5.119 1.00 0.20 O ATOM 732 CB THR A 75 15.229 0.814 5.425 1.00 0.29 C ATOM 733 OG1 THR A 75 16.474 0.115 5.320 1.00 0.47 O ATOM 734 CG2 THR A 75 14.825 0.910 6.889 1.00 0.47 C ATOM 0 H THR A 75 15.559 0.067 3.057 1.00 0.18 H new ATOM 0 HA THR A 75 13.823 -0.799 5.169 1.00 0.21 H new ATOM 0 HB THR A 75 15.333 1.823 5.027 1.00 0.29 H new ATOM 0 HG1 THR A 75 16.311 -0.851 5.354 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.599 1.438 7.446 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.884 1.454 6.972 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.702 -0.092 7.299 1.00 0.47 H new ATOM 742 N HIS A 76 13.042 1.814 3.323 1.00 0.14 N ATOM 743 CA HIS A 76 11.983 2.774 3.022 1.00 0.12 C ATOM 744 C HIS A 76 10.754 2.043 2.496 1.00 0.10 C ATOM 745 O HIS A 76 9.619 2.351 2.872 1.00 0.10 O ATOM 746 CB HIS A 76 12.463 3.832 2.017 1.00 0.14 C ATOM 747 CG HIS A 76 13.448 4.804 2.592 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.457 5.390 1.855 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.565 5.303 3.844 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.151 6.198 2.630 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.629 6.165 3.839 1.00 0.19 N ATOM 0 H HIS A 76 13.822 1.826 2.666 1.00 0.14 H new ATOM 0 HA HIS A 76 11.715 3.294 3.942 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.917 3.330 1.163 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.600 4.382 1.641 1.00 0.14 H new ATOM 0 HD2 HIS A 76 12.937 5.066 4.690 1.00 0.16 H new ATOM 0 HE1 HIS A 76 16.003 6.787 2.326 1.00 0.22 H new ATOM 0 HE2 HIS A 76 14.964 6.696 4.643 1.00 0.19 H new ATOM 760 N VAL A 77 10.996 1.050 1.647 1.00 0.09 N ATOM 761 CA VAL A 77 9.938 0.233 1.109 1.00 0.07 C ATOM 762 C VAL A 77 9.267 -0.547 2.231 1.00 0.08 C ATOM 763 O VAL A 77 8.063 -0.446 2.417 1.00 0.08 O ATOM 764 CB VAL A 77 10.476 -0.738 0.031 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.430 -1.782 -0.321 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.917 0.027 -1.220 1.00 0.08 C ATOM 0 H VAL A 77 11.929 0.798 1.320 1.00 0.09 H new ATOM 0 HA VAL A 77 9.206 0.887 0.636 1.00 0.07 H new ATOM 0 HB VAL A 77 11.347 -1.250 0.441 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.828 -2.455 -1.081 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.172 -2.354 0.571 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.538 -1.288 -0.706 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.291 -0.677 -1.964 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.067 0.572 -1.632 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.707 0.731 -0.957 1.00 0.08 H new ATOM 776 N ARG A 78 10.061 -1.286 3.006 1.00 0.09 N ATOM 777 CA ARG A 78 9.530 -2.089 4.108 1.00 0.11 C ATOM 778 C ARG A 78 8.799 -1.231 5.135 1.00 0.10 C ATOM 779 O ARG A 78 7.836 -1.686 5.750 1.00 0.14 O ATOM 780 CB ARG A 78 10.638 -2.881 4.796 1.00 0.18 C ATOM 781 CG ARG A 78 11.071 -4.121 4.033 1.00 0.37 C ATOM 782 CD ARG A 78 12.048 -4.952 4.852 1.00 0.40 C ATOM 783 NE ARG A 78 13.281 -4.221 5.151 1.00 1.11 N ATOM 784 CZ ARG A 78 13.868 -4.206 6.351 1.00 1.43 C ATOM 785 NH1 ARG A 78 13.273 -4.767 7.397 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.036 -3.598 6.507 1.00 2.21 N ATOM 0 H ARG A 78 11.073 -1.345 2.891 1.00 0.09 H new ATOM 0 HA ARG A 78 8.814 -2.785 3.672 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.502 -2.232 4.936 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.298 -3.177 5.788 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.197 -4.722 3.783 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.537 -3.829 3.092 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.572 -5.255 5.785 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.292 -5.864 4.308 1.00 0.40 H new ATOM 0 HE ARG A 78 13.718 -3.691 4.397 1.00 1.11 H new ATOM 0 HH11 ARG A 78 12.362 -5.213 7.287 1.00 1.57 H new ATOM 0 HH12 ARG A 78 13.727 -4.752 8.310 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.484 -3.143 5.712 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.486 -3.585 7.422 1.00 2.21 H new ATOM 800 N ASP A 79 9.260 0.003 5.312 1.00 0.11 N ATOM 801 CA ASP A 79 8.613 0.955 6.214 1.00 0.12 C ATOM 802 C ASP A 79 7.163 1.124 5.815 1.00 0.11 C ATOM 803 O ASP A 79 6.232 0.871 6.588 1.00 0.12 O ATOM 804 CB ASP A 79 9.299 2.319 6.126 1.00 0.16 C ATOM 805 CG ASP A 79 9.418 3.002 7.473 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.379 3.306 8.093 1.00 1.05 O ATOM 807 OD2 ASP A 79 10.563 3.219 7.926 1.00 0.95 O ATOM 0 H ASP A 79 10.086 0.371 4.840 1.00 0.11 H new ATOM 0 HA ASP A 79 8.686 0.572 7.232 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.293 2.194 5.698 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.738 2.960 5.446 1.00 0.16 H new ATOM 812 N TRP A 80 6.985 1.501 4.567 1.00 0.10 N ATOM 813 CA TRP A 80 5.681 1.749 4.007 1.00 0.09 C ATOM 814 C TRP A 80 4.928 0.432 3.836 1.00 0.09 C ATOM 815 O TRP A 80 3.695 0.386 3.911 1.00 0.09 O ATOM 816 CB TRP A 80 5.901 2.460 2.678 1.00 0.09 C ATOM 817 CG TRP A 80 4.840 2.253 1.663 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.741 3.020 1.444 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.809 1.208 0.699 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.031 2.515 0.386 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.671 1.399 -0.081 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.644 0.126 0.426 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.343 0.551 -1.122 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.315 -0.718 -0.609 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.173 -0.501 -1.377 1.00 0.10 C ATOM 0 H TRP A 80 7.751 1.644 3.909 1.00 0.10 H new ATOM 0 HA TRP A 80 5.071 2.372 4.661 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.995 3.529 2.868 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.851 2.126 2.260 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.468 3.894 2.016 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.168 2.906 0.009 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.532 -0.046 1.016 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.456 0.716 -1.716 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.952 -1.562 -0.830 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.941 -1.176 -2.187 1.00 0.10 H new ATOM 836 N VAL A 81 5.699 -0.631 3.645 1.00 0.10 N ATOM 837 CA VAL A 81 5.175 -1.972 3.469 1.00 0.11 C ATOM 838 C VAL A 81 4.401 -2.396 4.712 1.00 0.11 C ATOM 839 O VAL A 81 3.212 -2.699 4.650 1.00 0.11 O ATOM 840 CB VAL A 81 6.336 -2.961 3.165 1.00 0.13 C ATOM 841 CG1 VAL A 81 6.055 -4.366 3.665 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.627 -2.998 1.673 1.00 0.14 C ATOM 0 H VAL A 81 6.717 -0.582 3.608 1.00 0.10 H new ATOM 0 HA VAL A 81 4.489 -1.984 2.622 1.00 0.11 H new ATOM 0 HB VAL A 81 7.209 -2.591 3.703 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.899 -5.013 3.425 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.909 -4.345 4.745 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.155 -4.750 3.184 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.442 -3.695 1.478 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.736 -3.323 1.136 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.912 -2.002 1.333 1.00 0.14 H new ATOM 852 N MET A 82 5.067 -2.389 5.845 1.00 0.11 N ATOM 853 CA MET A 82 4.408 -2.738 7.086 1.00 0.12 C ATOM 854 C MET A 82 3.440 -1.663 7.548 1.00 0.11 C ATOM 855 O MET A 82 2.628 -1.933 8.413 1.00 0.12 O ATOM 856 CB MET A 82 5.392 -3.061 8.202 1.00 0.15 C ATOM 857 CG MET A 82 6.403 -1.962 8.474 1.00 0.13 C ATOM 858 SD MET A 82 7.058 -2.021 10.154 1.00 0.49 S ATOM 859 CE MET A 82 7.290 -3.783 10.369 1.00 0.42 C ATOM 0 H MET A 82 6.054 -2.148 5.934 1.00 0.11 H new ATOM 0 HA MET A 82 3.839 -3.641 6.865 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.834 -3.261 9.117 1.00 0.15 H new ATOM 0 HB3 MET A 82 5.926 -3.976 7.947 1.00 0.15 H new ATOM 0 HG2 MET A 82 7.226 -2.047 7.764 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.934 -0.993 8.305 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.983 -3.961 11.191 1.00 0.42 H new ATOM 0 HE2 MET A 82 6.332 -4.251 10.594 1.00 0.42 H new ATOM 0 HE3 MET A 82 7.697 -4.211 9.453 1.00 0.42 H new ATOM 869 N TRP A 83 3.512 -0.448 7.015 1.00 0.09 N ATOM 870 CA TRP A 83 2.585 0.585 7.473 1.00 0.09 C ATOM 871 C TRP A 83 1.151 0.285 7.042 1.00 0.09 C ATOM 872 O TRP A 83 0.263 0.181 7.882 1.00 0.11 O ATOM 873 CB TRP A 83 2.986 1.987 7.002 1.00 0.09 C ATOM 874 CG TRP A 83 2.007 3.024 7.437 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.982 3.676 8.632 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.896 3.514 6.684 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.922 4.545 8.668 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.241 4.464 7.483 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.395 3.240 5.411 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.889 5.145 7.047 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.726 3.915 4.980 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.356 4.856 5.794 1.00 0.15 C ATOM 0 H TRP A 83 4.173 -0.159 6.294 1.00 0.09 H new ATOM 0 HA TRP A 83 2.637 0.571 8.562 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.973 2.233 7.394 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.064 1.996 5.915 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.692 3.530 9.433 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.680 5.153 9.450 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.877 2.512 4.775 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.380 5.875 7.674 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.123 3.712 3.996 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.233 5.368 5.427 1.00 0.15 H new ATOM 893 N ALA A 84 0.909 0.143 5.750 1.00 0.09 N ATOM 894 CA ALA A 84 -0.446 -0.153 5.298 1.00 0.10 C ATOM 895 C ALA A 84 -0.883 -1.474 5.916 1.00 0.10 C ATOM 896 O ALA A 84 -2.034 -1.659 6.311 1.00 0.12 O ATOM 897 CB ALA A 84 -0.524 -0.197 3.778 1.00 0.12 C ATOM 0 H ALA A 84 1.608 0.224 5.012 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.121 0.640 5.621 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.546 -0.420 3.472 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.226 0.769 3.370 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.144 -0.972 3.402 1.00 0.12 H new ATOM 903 N VAL A 85 0.091 -2.360 6.041 1.00 0.10 N ATOM 904 CA VAL A 85 -0.080 -3.639 6.700 1.00 0.11 C ATOM 905 C VAL A 85 -0.471 -3.493 8.179 1.00 0.13 C ATOM 906 O VAL A 85 -1.483 -4.037 8.601 1.00 0.14 O ATOM 907 CB VAL A 85 1.219 -4.473 6.550 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.378 -5.512 7.655 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.246 -5.147 5.191 1.00 0.14 C ATOM 0 H VAL A 85 1.034 -2.207 5.682 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.907 -4.158 6.215 1.00 0.11 H new ATOM 0 HB VAL A 85 2.059 -3.783 6.637 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.303 -6.067 7.502 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.411 -5.012 8.623 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.533 -6.201 7.631 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.161 -5.731 5.093 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.383 -5.806 5.094 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.213 -4.389 4.408 1.00 0.14 H new ATOM 919 N ASN A 86 0.319 -2.775 8.971 1.00 0.15 N ATOM 920 CA ASN A 86 0.080 -2.713 10.411 1.00 0.19 C ATOM 921 C ASN A 86 -1.128 -1.849 10.759 1.00 0.23 C ATOM 922 O ASN A 86 -1.721 -2.014 11.822 1.00 0.27 O ATOM 923 CB ASN A 86 1.328 -2.294 11.205 1.00 0.23 C ATOM 924 CG ASN A 86 1.562 -0.798 11.297 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.225 -0.082 10.255 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 2.067 -0.300 12.302 1.00 0.32 N flip ATOM 0 H ASN A 86 1.121 -2.234 8.647 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.155 -3.732 10.719 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.248 -2.696 12.215 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.203 -2.755 10.746 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.316 -0.892 13.094 1.00 0.32 H new ATOM 0 HD22 ASN A 86 2.237 0.705 12.343 1.00 0.32 H new ATOM 933 N GLU A 87 -1.512 -0.955 9.851 1.00 0.24 N ATOM 934 CA GLU A 87 -2.694 -0.126 10.054 1.00 0.31 C ATOM 935 C GLU A 87 -3.923 -0.987 9.827 1.00 0.28 C ATOM 936 O GLU A 87 -4.952 -0.839 10.486 1.00 0.35 O ATOM 937 CB GLU A 87 -2.682 1.065 9.089 1.00 0.38 C ATOM 938 CG GLU A 87 -3.887 1.982 9.221 1.00 1.23 C ATOM 939 CD GLU A 87 -4.099 2.474 10.639 1.00 1.35 C ATOM 940 OE1 GLU A 87 -3.245 3.236 11.140 1.00 1.08 O ATOM 941 OE2 GLU A 87 -5.114 2.097 11.260 1.00 2.15 O ATOM 0 H GLU A 87 -1.023 -0.788 8.972 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.704 0.271 11.069 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -1.776 1.647 9.258 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.634 0.690 8.067 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -3.760 2.839 8.559 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -4.779 1.452 8.888 1.00 1.23 H new ATOM 948 N PHE A 88 -3.781 -1.910 8.893 1.00 0.23 N ATOM 949 CA PHE A 88 -4.810 -2.888 8.609 1.00 0.23 C ATOM 950 C PHE A 88 -4.721 -4.087 9.543 1.00 0.25 C ATOM 951 O PHE A 88 -5.508 -5.028 9.435 1.00 0.30 O ATOM 952 CB PHE A 88 -4.671 -3.357 7.174 1.00 0.24 C ATOM 953 CG PHE A 88 -5.556 -2.615 6.226 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.872 -3.009 6.049 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.085 -1.526 5.521 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.700 -2.327 5.183 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.909 -0.844 4.654 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.217 -1.243 4.486 1.00 0.45 C ATOM 0 H PHE A 88 -2.948 -2.001 8.311 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.779 -2.414 8.763 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.634 -3.242 6.859 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -4.903 -4.421 7.122 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.253 -3.859 6.595 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.062 -1.206 5.650 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.725 -2.642 5.052 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.529 0.005 4.105 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.863 -0.705 3.808 1.00 0.45 H new ATOM 968 N SER A 89 -3.762 -4.028 10.462 1.00 0.27 N ATOM 969 CA SER A 89 -3.478 -5.127 11.375 1.00 0.34 C ATOM 970 C SER A 89 -3.262 -6.433 10.612 1.00 0.36 C ATOM 971 O SER A 89 -3.679 -7.500 11.061 1.00 0.48 O ATOM 972 CB SER A 89 -4.609 -5.274 12.398 1.00 0.45 C ATOM 973 OG SER A 89 -4.796 -4.067 13.122 1.00 1.07 O ATOM 0 H SER A 89 -3.160 -3.215 10.594 1.00 0.27 H new ATOM 0 HA SER A 89 -2.556 -4.898 11.909 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.534 -5.544 11.888 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.377 -6.085 13.088 1.00 0.45 H new ATOM 0 HG SER A 89 -5.524 -4.183 13.768 1.00 1.07 H new ATOM 979 N LEU A 90 -2.592 -6.348 9.462 1.00 0.31 N ATOM 980 CA LEU A 90 -2.366 -7.517 8.632 1.00 0.40 C ATOM 981 C LEU A 90 -1.286 -8.367 9.265 1.00 0.59 C ATOM 982 O LEU A 90 -1.441 -9.577 9.418 1.00 1.23 O ATOM 983 CB LEU A 90 -1.933 -7.069 7.231 1.00 0.33 C ATOM 984 CG LEU A 90 -2.845 -6.018 6.600 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.334 -5.616 5.231 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.272 -6.546 6.505 1.00 0.27 C ATOM 0 H LEU A 90 -2.200 -5.482 9.091 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.282 -8.101 8.549 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.920 -6.669 7.286 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.896 -7.941 6.578 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.843 -5.133 7.236 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.998 -4.867 4.800 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.331 -5.200 5.325 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.305 -6.491 4.582 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.911 -5.787 6.054 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.287 -7.446 5.890 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.639 -6.783 7.503 1.00 0.27 H new ATOM 998 N LYS A 91 -0.213 -7.674 9.665 1.00 0.24 N ATOM 999 CA LYS A 91 0.892 -8.221 10.459 1.00 0.39 C ATOM 1000 C LYS A 91 1.187 -9.693 10.178 1.00 0.26 C ATOM 1001 O LYS A 91 1.385 -10.481 11.099 1.00 0.39 O ATOM 1002 CB LYS A 91 0.601 -8.001 11.942 1.00 0.78 C ATOM 1003 CG LYS A 91 0.384 -6.534 12.278 1.00 1.31 C ATOM 1004 CD LYS A 91 0.007 -6.336 13.733 1.00 1.49 C ATOM 1005 CE LYS A 91 -0.401 -4.900 14.011 1.00 1.91 C ATOM 1006 NZ LYS A 91 -0.821 -4.711 15.420 1.00 2.48 N ATOM 0 H LYS A 91 -0.087 -6.688 9.438 1.00 0.24 H new ATOM 0 HA LYS A 91 1.794 -7.685 10.164 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.284 -8.571 12.224 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.431 -8.388 12.534 1.00 0.78 H new ATOM 0 HG2 LYS A 91 1.293 -5.973 12.059 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.402 -6.128 11.641 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -0.814 -7.005 13.992 1.00 1.49 H new ATOM 0 HD3 LYS A 91 0.851 -6.605 14.369 1.00 1.49 H new ATOM 0 HE2 LYS A 91 0.433 -4.235 13.788 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -1.219 -4.619 13.347 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 -1.092 -3.718 15.571 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -1.633 -5.327 15.626 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -0.033 -4.955 16.053 1.00 2.48 H new ATOM 1020 N GLY A 92 1.194 -10.062 8.909 1.00 0.26 N ATOM 1021 CA GLY A 92 1.597 -11.391 8.518 1.00 0.31 C ATOM 1022 C GLY A 92 2.282 -11.336 7.180 1.00 0.31 C ATOM 1023 O GLY A 92 2.112 -12.207 6.332 1.00 0.47 O ATOM 0 H GLY A 92 0.924 -9.455 8.135 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.269 -11.813 9.265 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.727 -12.046 8.466 1.00 0.31 H new ATOM 1027 N VAL A 93 3.055 -10.275 7.002 1.00 0.21 N ATOM 1028 CA VAL A 93 3.746 -10.020 5.765 1.00 0.21 C ATOM 1029 C VAL A 93 5.128 -10.632 5.829 1.00 0.20 C ATOM 1030 O VAL A 93 5.804 -10.556 6.856 1.00 0.22 O ATOM 1031 CB VAL A 93 3.812 -8.496 5.477 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.220 -8.028 5.150 1.00 0.21 C ATOM 1033 CG2 VAL A 93 2.880 -8.156 4.334 1.00 0.23 C ATOM 0 H VAL A 93 3.216 -9.569 7.720 1.00 0.21 H new ATOM 0 HA VAL A 93 3.199 -10.480 4.942 1.00 0.21 H new ATOM 0 HB VAL A 93 3.502 -7.977 6.384 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.211 -6.955 4.957 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.879 -8.240 5.992 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.582 -8.553 4.266 1.00 0.21 H new ATOM 0 HG21 VAL A 93 2.927 -7.086 4.132 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.181 -8.707 3.443 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.860 -8.430 4.602 1.00 0.23 H new ATOM 1043 N ASP A 94 5.528 -11.276 4.750 1.00 0.21 N ATOM 1044 CA ASP A 94 6.849 -11.847 4.677 1.00 0.24 C ATOM 1045 C ASP A 94 7.804 -10.742 4.292 1.00 0.21 C ATOM 1046 O ASP A 94 7.941 -10.412 3.115 1.00 0.20 O ATOM 1047 CB ASP A 94 6.898 -12.984 3.656 1.00 0.32 C ATOM 1048 CG ASP A 94 8.174 -13.791 3.753 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.234 -13.285 3.324 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.135 -14.923 4.264 1.00 1.10 O ATOM 0 H ASP A 94 4.956 -11.414 3.917 1.00 0.21 H new ATOM 0 HA ASP A 94 7.128 -12.272 5.641 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.043 -13.642 3.808 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.808 -12.571 2.651 1.00 0.32 H new ATOM 1055 N PHE A 95 8.440 -10.147 5.292 1.00 0.23 N ATOM 1056 CA PHE A 95 9.270 -8.971 5.077 1.00 0.24 C ATOM 1057 C PHE A 95 10.452 -9.296 4.172 1.00 0.23 C ATOM 1058 O PHE A 95 11.120 -8.401 3.655 1.00 0.28 O ATOM 1059 CB PHE A 95 9.764 -8.405 6.411 1.00 0.29 C ATOM 1060 CG PHE A 95 8.653 -8.049 7.358 1.00 0.37 C ATOM 1061 CD1 PHE A 95 7.875 -6.924 7.139 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.394 -8.833 8.471 1.00 0.41 C ATOM 1063 CE1 PHE A 95 6.859 -6.588 8.013 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.380 -8.501 9.347 1.00 0.52 C ATOM 1065 CZ PHE A 95 6.587 -7.403 9.100 1.00 0.61 C ATOM 0 H PHE A 95 8.396 -10.461 6.262 1.00 0.23 H new ATOM 0 HA PHE A 95 8.658 -8.216 4.584 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.417 -9.136 6.888 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.366 -7.517 6.219 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.065 -6.303 6.276 1.00 0.55 H new ATOM 0 HD2 PHE A 95 8.992 -9.713 8.655 1.00 0.41 H new ATOM 0 HE1 PHE A 95 6.278 -5.692 7.849 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.209 -9.103 10.227 1.00 0.52 H new ATOM 0 HZ PHE A 95 5.756 -7.178 9.751 1.00 0.61 H new ATOM 1075 N GLN A 96 10.702 -10.584 3.985 1.00 0.21 N ATOM 1076 CA GLN A 96 11.761 -11.040 3.097 1.00 0.24 C ATOM 1077 C GLN A 96 11.262 -11.146 1.667 1.00 0.21 C ATOM 1078 O GLN A 96 12.027 -10.961 0.725 1.00 0.25 O ATOM 1079 CB GLN A 96 12.322 -12.379 3.563 1.00 0.33 C ATOM 1080 CG GLN A 96 13.283 -12.253 4.728 1.00 1.06 C ATOM 1081 CD GLN A 96 14.516 -11.450 4.366 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.512 -12.000 3.898 1.00 2.08 O ATOM 1083 NE2 GLN A 96 14.460 -10.146 4.578 1.00 1.93 N ATOM 0 H GLN A 96 10.183 -11.335 4.439 1.00 0.21 H new ATOM 0 HA GLN A 96 12.562 -10.301 3.127 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.497 -13.031 3.850 1.00 0.33 H new ATOM 0 HB3 GLN A 96 12.833 -12.861 2.730 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.775 -11.777 5.567 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.583 -13.247 5.059 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.615 -9.729 4.968 1.00 1.93 H new ATOM 0 HE22 GLN A 96 15.262 -9.558 4.352 1.00 1.93 H new ATOM 1092 N LYS A 97 9.980 -11.439 1.499 1.00 0.18 N ATOM 1093 CA LYS A 97 9.376 -11.421 0.180 1.00 0.19 C ATOM 1094 C LYS A 97 9.226 -9.968 -0.222 1.00 0.17 C ATOM 1095 O LYS A 97 9.306 -9.610 -1.394 1.00 0.20 O ATOM 1096 CB LYS A 97 8.006 -12.115 0.184 1.00 0.23 C ATOM 1097 CG LYS A 97 7.703 -12.909 -1.084 1.00 0.26 C ATOM 1098 CD LYS A 97 7.787 -12.052 -2.336 1.00 0.25 C ATOM 1099 CE LYS A 97 7.519 -12.862 -3.591 1.00 0.38 C ATOM 1100 NZ LYS A 97 7.992 -12.158 -4.811 1.00 1.43 N ATOM 0 H LYS A 97 9.344 -11.690 2.256 1.00 0.18 H new ATOM 0 HA LYS A 97 10.005 -11.962 -0.527 1.00 0.19 H new ATOM 0 HB2 LYS A 97 7.954 -12.787 1.041 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.230 -11.362 0.322 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.405 -13.739 -1.167 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.705 -13.342 -1.009 1.00 0.26 H new ATOM 0 HD2 LYS A 97 7.066 -11.237 -2.268 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.776 -11.598 -2.400 1.00 0.25 H new ATOM 0 HE2 LYS A 97 8.016 -13.829 -3.513 1.00 0.38 H new ATOM 0 HE3 LYS A 97 6.450 -13.059 -3.676 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 7.792 -12.742 -5.648 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 7.499 -11.246 -4.899 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 9.016 -11.993 -4.741 1.00 1.43 H new ATOM 1114 N PHE A 98 9.074 -9.134 0.794 1.00 0.16 N ATOM 1115 CA PHE A 98 8.940 -7.704 0.618 1.00 0.16 C ATOM 1116 C PHE A 98 10.306 -7.039 0.551 1.00 0.20 C ATOM 1117 O PHE A 98 10.446 -5.847 0.833 1.00 0.22 O ATOM 1118 CB PHE A 98 8.120 -7.111 1.754 1.00 0.15 C ATOM 1119 CG PHE A 98 6.655 -7.170 1.487 1.00 0.11 C ATOM 1120 CD1 PHE A 98 5.998 -6.134 0.849 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.930 -8.268 1.899 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.643 -6.201 0.629 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.578 -8.343 1.674 1.00 0.13 C ATOM 1124 CZ PHE A 98 3.947 -7.249 0.946 1.00 0.12 C ATOM 0 H PHE A 98 9.040 -9.436 1.768 1.00 0.16 H new ATOM 0 HA PHE A 98 8.424 -7.520 -0.324 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.340 -7.648 2.677 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.417 -6.074 1.910 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.553 -5.267 0.522 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.432 -9.079 2.405 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.143 -5.356 0.179 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.000 -9.185 2.025 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.904 -7.311 0.672 1.00 0.12 H new ATOM 1134 N CYS A 99 11.309 -7.820 0.185 1.00 0.26 N ATOM 1135 CA CYS A 99 12.654 -7.312 0.035 1.00 0.31 C ATOM 1136 C CYS A 99 12.766 -6.524 -1.257 1.00 0.23 C ATOM 1137 O CYS A 99 13.255 -7.033 -2.266 1.00 0.27 O ATOM 1138 CB CYS A 99 13.650 -8.465 -0.004 1.00 0.45 C ATOM 1139 SG CYS A 99 15.380 -7.962 0.150 1.00 1.20 S ATOM 0 H CYS A 99 11.211 -8.816 -0.014 1.00 0.26 H new ATOM 0 HA CYS A 99 12.877 -6.666 0.884 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.413 -9.161 0.801 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.524 -9.007 -0.941 1.00 0.45 H new ATOM 0 HG CYS A 99 16.143 -9.014 0.107 1.00 1.20 H new ATOM 1145 N MET A 100 12.303 -5.294 -1.235 1.00 0.19 N ATOM 1146 CA MET A 100 12.446 -4.430 -2.381 1.00 0.16 C ATOM 1147 C MET A 100 13.211 -3.185 -2.027 1.00 0.17 C ATOM 1148 O MET A 100 12.947 -2.539 -1.015 1.00 0.20 O ATOM 1149 CB MET A 100 11.095 -4.007 -2.969 1.00 0.22 C ATOM 1150 CG MET A 100 10.394 -5.076 -3.780 1.00 0.22 C ATOM 1151 SD MET A 100 9.496 -6.249 -2.750 1.00 0.13 S ATOM 1152 CE MET A 100 8.321 -5.161 -1.945 1.00 0.18 C ATOM 0 H MET A 100 11.826 -4.872 -0.438 1.00 0.19 H new ATOM 0 HA MET A 100 12.989 -5.012 -3.126 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.440 -3.701 -2.154 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.247 -3.132 -3.601 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.700 -4.603 -4.475 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.129 -5.613 -4.379 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.577 -5.066 -0.890 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.353 -4.179 -2.416 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.318 -5.576 -2.039 1.00 0.18 H new ATOM 1162 N SER A 101 14.162 -2.865 -2.864 1.00 0.16 N ATOM 1163 CA SER A 101 14.631 -1.514 -2.950 1.00 0.18 C ATOM 1164 C SER A 101 13.576 -0.795 -3.767 1.00 0.14 C ATOM 1165 O SER A 101 12.879 -1.445 -4.530 1.00 0.15 O ATOM 1166 CB SER A 101 16.008 -1.445 -3.610 1.00 0.24 C ATOM 1167 OG SER A 101 16.983 -2.103 -2.818 1.00 1.26 O ATOM 0 H SER A 101 14.624 -3.522 -3.493 1.00 0.16 H new ATOM 0 HA SER A 101 14.763 -1.058 -1.969 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.966 -1.904 -4.598 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.294 -0.403 -3.755 1.00 0.24 H new ATOM 0 HG SER A 101 17.856 -2.048 -3.261 1.00 1.26 H new ATOM 1173 N GLY A 102 13.405 0.488 -3.584 1.00 0.13 N ATOM 1174 CA GLY A 102 12.301 1.179 -4.211 1.00 0.14 C ATOM 1175 C GLY A 102 12.175 0.938 -5.706 1.00 0.14 C ATOM 1176 O GLY A 102 11.061 0.796 -6.219 1.00 0.16 O ATOM 0 H GLY A 102 14.010 1.076 -3.010 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.374 0.872 -3.727 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.412 2.249 -4.036 1.00 0.14 H new ATOM 1180 N ALA A 103 13.298 0.901 -6.411 1.00 0.17 N ATOM 1181 CA ALA A 103 13.282 0.594 -7.833 1.00 0.21 C ATOM 1182 C ALA A 103 12.654 -0.776 -8.061 1.00 0.21 C ATOM 1183 O ALA A 103 11.878 -0.969 -8.992 1.00 0.25 O ATOM 1184 CB ALA A 103 14.689 0.643 -8.402 1.00 0.26 C ATOM 0 H ALA A 103 14.225 1.079 -6.024 1.00 0.17 H new ATOM 0 HA ALA A 103 12.682 1.343 -8.350 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.659 0.411 -9.467 1.00 0.26 H new ATOM 0 HB2 ALA A 103 15.105 1.641 -8.260 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.315 -0.087 -7.889 1.00 0.26 H new ATOM 1190 N ALA A 104 12.974 -1.703 -7.168 1.00 0.19 N ATOM 1191 CA ALA A 104 12.415 -3.041 -7.207 1.00 0.20 C ATOM 1192 C ALA A 104 10.952 -3.017 -6.795 1.00 0.16 C ATOM 1193 O ALA A 104 10.129 -3.716 -7.387 1.00 0.17 O ATOM 1194 CB ALA A 104 13.202 -3.970 -6.298 1.00 0.22 C ATOM 0 H ALA A 104 13.627 -1.546 -6.400 1.00 0.19 H new ATOM 0 HA ALA A 104 12.482 -3.414 -8.229 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.770 -4.970 -6.338 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.240 -4.009 -6.629 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.161 -3.598 -5.274 1.00 0.22 H new ATOM 1200 N LEU A 105 10.635 -2.234 -5.754 1.00 0.12 N ATOM 1201 CA LEU A 105 9.257 -2.020 -5.332 1.00 0.09 C ATOM 1202 C LEU A 105 8.363 -1.684 -6.506 1.00 0.12 C ATOM 1203 O LEU A 105 7.309 -2.261 -6.697 1.00 0.13 O ATOM 1204 CB LEU A 105 9.182 -0.862 -4.327 1.00 0.09 C ATOM 1205 CG LEU A 105 7.778 -0.624 -3.801 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.311 -1.814 -2.987 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.703 0.637 -2.981 1.00 0.14 C ATOM 0 H LEU A 105 11.325 -1.738 -5.190 1.00 0.12 H new ATOM 0 HA LEU A 105 8.915 -2.947 -4.873 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.847 -1.071 -3.489 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.545 0.049 -4.803 1.00 0.09 H new ATOM 0 HG LEU A 105 7.117 -0.502 -4.659 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.303 -1.628 -2.617 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.309 -2.706 -3.614 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.985 -1.965 -2.144 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.684 0.776 -2.620 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.381 0.559 -2.131 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.990 1.489 -3.597 1.00 0.14 H new ATOM 1219 N CYS A 106 8.782 -0.699 -7.237 1.00 0.21 N ATOM 1220 CA CYS A 106 8.100 -0.281 -8.435 1.00 0.31 C ATOM 1221 C CYS A 106 8.159 -1.354 -9.523 1.00 0.34 C ATOM 1222 O CYS A 106 7.134 -1.692 -10.119 1.00 0.40 O ATOM 1223 CB CYS A 106 8.726 1.022 -8.913 1.00 0.39 C ATOM 1224 SG CYS A 106 7.994 1.714 -10.419 1.00 0.74 S ATOM 0 H CYS A 106 9.616 -0.152 -7.022 1.00 0.21 H new ATOM 0 HA CYS A 106 7.044 -0.125 -8.213 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.646 1.760 -8.115 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.789 0.855 -9.087 1.00 0.39 H new ATOM 0 HG CYS A 106 7.323 0.790 -11.040 1.00 0.74 H new ATOM 1230 N ALA A 107 9.356 -1.884 -9.777 1.00 0.33 N ATOM 1231 CA ALA A 107 9.579 -2.869 -10.838 1.00 0.41 C ATOM 1232 C ALA A 107 8.641 -4.073 -10.779 1.00 0.38 C ATOM 1233 O ALA A 107 8.252 -4.598 -11.826 1.00 0.46 O ATOM 1234 CB ALA A 107 11.023 -3.345 -10.801 1.00 0.47 C ATOM 0 H ALA A 107 10.198 -1.643 -9.254 1.00 0.33 H new ATOM 0 HA ALA A 107 9.361 -2.358 -11.776 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.185 -4.078 -11.592 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.690 -2.496 -10.951 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.230 -3.803 -9.834 1.00 0.47 H new ATOM 1240 N LEU A 108 8.281 -4.534 -9.583 1.00 0.29 N ATOM 1241 CA LEU A 108 7.431 -5.716 -9.474 1.00 0.26 C ATOM 1242 C LEU A 108 6.067 -5.484 -10.131 1.00 0.26 C ATOM 1243 O LEU A 108 5.494 -6.395 -10.732 1.00 0.28 O ATOM 1244 CB LEU A 108 7.284 -6.183 -8.004 1.00 0.21 C ATOM 1245 CG LEU A 108 7.003 -5.106 -6.946 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.596 -4.535 -7.085 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.213 -5.685 -5.555 1.00 0.19 C ATOM 0 H LEU A 108 8.558 -4.118 -8.694 1.00 0.29 H new ATOM 0 HA LEU A 108 7.924 -6.522 -10.018 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.478 -6.915 -7.962 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.200 -6.702 -7.722 1.00 0.21 H new ATOM 0 HG LEU A 108 7.702 -4.284 -7.102 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.434 -3.776 -6.319 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.482 -4.086 -8.071 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.865 -5.335 -6.964 1.00 0.21 H new ATOM 0 HD21 LEU A 108 7.013 -4.918 -4.807 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.534 -6.525 -5.404 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.243 -6.028 -5.455 1.00 0.19 H new ATOM 1259 N GLY A 109 5.566 -4.257 -10.037 1.00 0.27 N ATOM 1260 CA GLY A 109 4.267 -3.941 -10.591 1.00 0.32 C ATOM 1261 C GLY A 109 3.143 -4.622 -9.829 1.00 0.27 C ATOM 1262 O GLY A 109 3.392 -5.467 -8.967 1.00 0.23 O ATOM 0 H GLY A 109 6.040 -3.475 -9.585 1.00 0.27 H new ATOM 0 HA2 GLY A 109 4.117 -2.862 -10.571 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.234 -4.248 -11.636 1.00 0.32 H new ATOM 1266 N LYS A 110 1.909 -4.247 -10.135 1.00 0.33 N ATOM 1267 CA LYS A 110 0.743 -4.886 -9.533 1.00 0.36 C ATOM 1268 C LYS A 110 0.854 -6.406 -9.650 1.00 0.26 C ATOM 1269 O LYS A 110 0.658 -7.125 -8.665 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.548 -4.345 -10.190 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.631 -5.384 -10.484 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.099 -6.109 -9.245 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.651 -7.491 -9.573 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.904 -7.417 -10.372 1.00 0.67 N ATOM 0 H LYS A 110 1.687 -3.503 -10.797 1.00 0.33 H new ATOM 0 HA LYS A 110 0.700 -4.646 -8.471 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -0.972 -3.581 -9.539 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.279 -3.854 -11.125 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.482 -4.892 -10.954 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.247 -6.110 -11.201 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.269 -6.206 -8.545 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -2.869 -5.519 -8.747 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.902 -8.058 -10.125 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.843 -8.033 -8.647 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -4.245 -8.379 -10.573 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.628 -6.898 -9.835 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.716 -6.922 -11.267 1.00 0.67 H new ATOM 1288 N GLU A 111 1.184 -6.869 -10.850 1.00 0.25 N ATOM 1289 CA GLU A 111 1.335 -8.290 -11.137 1.00 0.31 C ATOM 1290 C GLU A 111 2.115 -9.020 -10.044 1.00 0.27 C ATOM 1291 O GLU A 111 1.593 -9.935 -9.413 1.00 0.39 O ATOM 1292 CB GLU A 111 2.062 -8.438 -12.474 1.00 0.48 C ATOM 1293 CG GLU A 111 2.158 -9.861 -12.981 1.00 1.39 C ATOM 1294 CD GLU A 111 3.060 -9.967 -14.189 1.00 1.95 C ATOM 1295 OE1 GLU A 111 2.735 -9.374 -15.240 1.00 2.54 O ATOM 1296 OE2 GLU A 111 4.119 -10.621 -14.086 1.00 2.46 O ATOM 0 H GLU A 111 1.355 -6.266 -11.655 1.00 0.25 H new ATOM 0 HA GLU A 111 0.343 -8.740 -11.179 1.00 0.31 H new ATOM 0 HB2 GLU A 111 1.549 -7.833 -13.221 1.00 0.48 H new ATOM 0 HB3 GLU A 111 3.069 -8.033 -12.373 1.00 0.48 H new ATOM 0 HG2 GLU A 111 2.537 -10.505 -12.187 1.00 1.39 H new ATOM 0 HG3 GLU A 111 1.163 -10.223 -13.238 1.00 1.39 H new ATOM 1303 N CYS A 112 3.339 -8.587 -9.795 1.00 0.21 N ATOM 1304 CA CYS A 112 4.192 -9.281 -8.853 1.00 0.18 C ATOM 1305 C CYS A 112 3.806 -8.969 -7.418 1.00 0.15 C ATOM 1306 O CYS A 112 3.765 -9.870 -6.592 1.00 0.17 O ATOM 1307 CB CYS A 112 5.666 -8.961 -9.095 1.00 0.21 C ATOM 1308 SG CYS A 112 6.286 -9.545 -10.686 1.00 1.36 S ATOM 0 H CYS A 112 3.759 -7.765 -10.229 1.00 0.21 H new ATOM 0 HA CYS A 112 4.047 -10.349 -9.016 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.809 -7.882 -9.034 1.00 0.21 H new ATOM 0 HB3 CYS A 112 6.261 -9.407 -8.298 1.00 0.21 H new ATOM 0 HG CYS A 112 7.541 -9.228 -10.805 1.00 1.36 H new ATOM 1314 N PHE A 113 3.534 -7.699 -7.122 1.00 0.13 N ATOM 1315 CA PHE A 113 3.249 -7.277 -5.751 1.00 0.12 C ATOM 1316 C PHE A 113 2.146 -8.114 -5.097 1.00 0.13 C ATOM 1317 O PHE A 113 2.280 -8.550 -3.955 1.00 0.14 O ATOM 1318 CB PHE A 113 2.866 -5.792 -5.699 1.00 0.12 C ATOM 1319 CG PHE A 113 3.167 -5.168 -4.363 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.398 -5.489 -3.263 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.239 -4.294 -4.193 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.674 -4.959 -2.027 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.521 -3.768 -2.952 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.738 -4.099 -1.869 1.00 0.10 C ATOM 0 H PHE A 113 3.505 -6.947 -7.810 1.00 0.13 H new ATOM 0 HA PHE A 113 4.168 -7.434 -5.186 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.405 -5.253 -6.478 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.803 -5.686 -5.915 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.566 -6.168 -3.376 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.853 -4.027 -5.041 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.057 -5.216 -1.179 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.357 -3.095 -2.828 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.958 -3.685 -0.896 1.00 0.10 H new ATOM 1334 N LEU A 114 1.048 -8.339 -5.788 1.00 0.14 N ATOM 1335 CA LEU A 114 -0.061 -9.042 -5.152 1.00 0.17 C ATOM 1336 C LEU A 114 0.213 -10.533 -5.100 1.00 0.22 C ATOM 1337 O LEU A 114 -0.409 -11.264 -4.336 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.397 -8.786 -5.826 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.624 -7.383 -6.378 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.105 -7.085 -6.406 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.912 -6.300 -5.596 1.00 0.50 C ATOM 0 H LEU A 114 0.895 -8.059 -6.757 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.134 -8.644 -4.140 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.507 -9.497 -6.645 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.188 -9.002 -5.108 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.202 -7.374 -7.383 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.267 -6.082 -6.801 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.610 -7.811 -7.043 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.508 -7.146 -5.395 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.120 -5.330 -6.047 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.265 -6.304 -4.565 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.162 -6.485 -5.613 1.00 0.50 H new ATOM 1353 N GLU A 115 1.132 -10.982 -5.938 1.00 0.22 N ATOM 1354 CA GLU A 115 1.641 -12.334 -5.833 1.00 0.28 C ATOM 1355 C GLU A 115 2.677 -12.388 -4.717 1.00 0.27 C ATOM 1356 O GLU A 115 3.047 -13.450 -4.213 1.00 0.37 O ATOM 1357 CB GLU A 115 2.299 -12.769 -7.136 1.00 0.37 C ATOM 1358 CG GLU A 115 1.346 -12.886 -8.311 1.00 0.48 C ATOM 1359 CD GLU A 115 2.069 -13.297 -9.579 1.00 1.33 C ATOM 1360 OE1 GLU A 115 2.796 -14.308 -9.563 1.00 1.81 O ATOM 1361 OE2 GLU A 115 1.900 -12.614 -10.613 1.00 2.21 O ATOM 0 H GLU A 115 1.538 -10.431 -6.694 1.00 0.22 H new ATOM 0 HA GLU A 115 0.809 -13.004 -5.619 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.083 -12.055 -7.389 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.784 -13.733 -6.980 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.571 -13.617 -8.080 1.00 0.48 H new ATOM 0 HG3 GLU A 115 0.845 -11.931 -8.470 1.00 0.48 H new ATOM 1368 N LEU A 116 3.132 -11.205 -4.346 1.00 0.20 N ATOM 1369 CA LEU A 116 4.213 -11.022 -3.396 1.00 0.19 C ATOM 1370 C LEU A 116 3.682 -10.976 -1.962 1.00 0.22 C ATOM 1371 O LEU A 116 4.404 -11.268 -1.008 1.00 0.26 O ATOM 1372 CB LEU A 116 4.965 -9.741 -3.786 1.00 0.15 C ATOM 1373 CG LEU A 116 5.597 -8.934 -2.657 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.970 -8.442 -3.071 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.713 -7.758 -2.300 1.00 0.16 C ATOM 0 H LEU A 116 2.753 -10.328 -4.704 1.00 0.20 H new ATOM 0 HA LEU A 116 4.902 -11.866 -3.429 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.752 -10.012 -4.489 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.271 -9.091 -4.319 1.00 0.15 H new ATOM 0 HG LEU A 116 5.701 -9.577 -1.783 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.411 -7.867 -2.257 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.608 -9.295 -3.300 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.879 -7.809 -3.954 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.174 -7.188 -1.493 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.591 -7.117 -3.173 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.737 -8.121 -1.977 1.00 0.16 H new ATOM 1387 N ALA A 117 2.414 -10.630 -1.822 1.00 0.21 N ATOM 1388 CA ALA A 117 1.753 -10.635 -0.523 1.00 0.22 C ATOM 1389 C ALA A 117 0.407 -11.337 -0.635 1.00 0.23 C ATOM 1390 O ALA A 117 0.048 -11.784 -1.719 1.00 0.26 O ATOM 1391 CB ALA A 117 1.567 -9.208 -0.020 1.00 0.22 C ATOM 0 H ALA A 117 1.816 -10.340 -2.596 1.00 0.21 H new ATOM 0 HA ALA A 117 2.375 -11.174 0.192 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.072 -9.226 0.951 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.540 -8.727 0.078 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.955 -8.649 -0.728 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.345 -11.488 0.472 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.751 -11.882 0.391 1.00 0.25 C ATOM 1399 C PRO A 118 -2.504 -10.995 -0.597 1.00 0.22 C ATOM 1400 O PRO A 118 -2.267 -9.792 -0.668 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.260 -11.655 1.810 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.060 -11.847 2.671 1.00 0.32 C ATOM 1403 CD PRO A 118 0.112 -11.348 1.870 1.00 0.29 C ATOM 0 HA PRO A 118 -1.889 -12.906 0.044 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.677 -10.655 1.927 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -3.050 -12.361 2.066 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.158 -11.294 3.605 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.933 -12.897 2.935 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.353 -10.313 2.112 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.009 -11.937 2.061 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.384 -11.618 -1.365 1.00 0.28 N ATOM 1412 CA ASP A 119 -4.075 -10.972 -2.488 1.00 0.32 C ATOM 1413 C ASP A 119 -4.708 -9.613 -2.155 1.00 0.31 C ATOM 1414 O ASP A 119 -4.795 -8.759 -3.035 1.00 0.41 O ATOM 1415 CB ASP A 119 -5.132 -11.913 -3.075 1.00 0.41 C ATOM 1416 CG ASP A 119 -6.263 -12.227 -2.109 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.055 -13.031 -1.174 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -7.366 -11.658 -2.272 1.00 1.26 O ATOM 0 H ASP A 119 -3.646 -12.595 -1.232 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.298 -10.764 -3.224 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.548 -11.463 -3.976 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.652 -12.844 -3.376 1.00 0.41 H new ATOM 1423 N PHE A 120 -5.155 -9.389 -0.916 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.723 -8.093 -0.564 1.00 0.32 C ATOM 1425 C PHE A 120 -4.626 -7.188 -0.049 1.00 0.22 C ATOM 1426 O PHE A 120 -4.644 -5.991 -0.260 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.856 -8.210 0.465 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.452 -6.888 0.877 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.623 -5.857 -0.041 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.843 -6.679 2.190 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.166 -4.648 0.348 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.388 -5.471 2.583 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.549 -4.455 1.661 1.00 1.86 C ATOM 0 H PHE A 120 -5.135 -10.072 -0.159 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.164 -7.664 -1.464 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.644 -8.839 0.051 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.476 -8.717 1.352 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.328 -6.003 -1.070 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.720 -7.470 2.915 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.291 -3.854 -0.374 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.688 -5.322 3.610 1.00 1.97 H new ATOM 0 HZ PHE A 120 -8.974 -3.510 1.967 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.655 -7.794 0.598 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.584 -7.071 1.248 1.00 0.17 C ATOM 1445 C VAL A 121 -1.604 -6.520 0.237 1.00 0.15 C ATOM 1446 O VAL A 121 -1.135 -5.389 0.369 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.871 -7.996 2.229 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.714 -7.287 2.913 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.891 -8.502 3.225 1.00 0.22 C ATOM 0 H VAL A 121 -3.586 -8.808 0.689 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.011 -6.226 1.789 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.436 -8.841 1.696 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.226 -7.972 3.606 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.005 -6.956 2.163 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.090 -6.423 3.461 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.404 -9.167 3.938 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.330 -7.658 3.757 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.675 -9.046 2.698 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.294 -7.320 -0.772 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.492 -6.837 -1.863 1.00 0.19 C ATOM 1461 C GLY A 122 -1.173 -5.681 -2.544 1.00 0.16 C ATOM 1462 O GLY A 122 -0.534 -4.704 -2.881 1.00 0.14 O ATOM 0 H GLY A 122 -1.586 -8.294 -0.850 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.485 -6.525 -1.494 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.321 -7.640 -2.580 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.485 -5.793 -2.716 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.288 -4.768 -3.364 1.00 0.19 C ATOM 1468 C ASP A 123 -3.428 -3.558 -2.445 1.00 0.13 C ATOM 1469 O ASP A 123 -3.369 -2.422 -2.895 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.654 -5.371 -3.719 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.666 -4.369 -4.222 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.654 -4.066 -5.433 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.519 -3.928 -3.424 1.00 1.07 O ATOM 0 H ASP A 123 -3.023 -6.603 -2.407 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.806 -4.426 -4.280 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.512 -6.139 -4.479 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.059 -5.867 -2.837 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.616 -3.824 -1.155 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.553 -2.797 -0.121 1.00 0.10 C ATOM 1480 C ILE A 124 -2.275 -1.989 -0.246 1.00 0.09 C ATOM 1481 O ILE A 124 -2.304 -0.782 -0.501 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.644 -3.423 1.297 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.097 -3.672 1.675 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -2.979 -2.539 2.349 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.250 -4.429 2.974 1.00 0.22 C ATOM 0 H ILE A 124 -3.816 -4.758 -0.798 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.407 -2.134 -0.262 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.110 -4.373 1.269 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.614 -2.716 1.755 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.583 -4.231 0.876 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.064 -3.011 3.328 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -1.926 -2.406 2.100 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.472 -1.567 2.372 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.309 -4.575 3.188 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.760 -5.399 2.890 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -4.792 -3.860 3.783 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.159 -2.660 -0.070 1.00 0.08 N ATOM 1498 CA LEU A 125 0.122 -2.029 -0.209 1.00 0.08 C ATOM 1499 C LEU A 125 0.305 -1.458 -1.602 1.00 0.09 C ATOM 1500 O LEU A 125 0.804 -0.355 -1.744 1.00 0.10 O ATOM 1501 CB LEU A 125 1.214 -3.022 0.140 1.00 0.08 C ATOM 1502 CG LEU A 125 1.600 -2.999 1.603 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.453 -4.203 1.954 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.341 -1.713 1.906 1.00 0.09 C ATOM 0 H LEU A 125 -1.119 -3.650 0.171 1.00 0.08 H new ATOM 0 HA LEU A 125 0.183 -1.189 0.483 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.881 -4.025 -0.125 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.096 -2.809 -0.464 1.00 0.08 H new ATOM 0 HG LEU A 125 0.696 -3.044 2.211 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.718 -4.165 3.010 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.893 -5.116 1.753 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.361 -4.194 1.351 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.620 -1.694 2.959 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.239 -1.657 1.291 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.697 -0.862 1.686 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.156 -2.169 -2.615 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.010 -1.703 -3.982 1.00 0.10 C ATOM 1518 C TRP A 126 -0.758 -0.398 -4.179 1.00 0.11 C ATOM 1519 O TRP A 126 -0.261 0.515 -4.833 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.518 -2.724 -5.000 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.702 -2.093 -6.331 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.880 -1.695 -6.888 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.335 -1.723 -7.242 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.635 -1.084 -8.099 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.279 -1.098 -8.337 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.726 -1.860 -7.229 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.458 -0.607 -9.413 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.453 -1.377 -8.299 1.00 0.22 C ATOM 1529 CH2 TRP A 126 1.819 -0.755 -9.376 1.00 0.25 C ATOM 0 H TRP A 126 -0.632 -3.066 -2.518 1.00 0.09 H new ATOM 0 HA TRP A 126 1.057 -1.555 -4.150 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.190 -3.549 -5.078 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.463 -3.146 -4.658 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.856 -1.837 -6.448 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.342 -0.687 -8.717 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.223 -2.335 -6.397 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 -0.028 -0.126 -10.249 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.528 -1.482 -8.303 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.414 -0.383 -10.197 1.00 0.25 H new ATOM 1540 N GLU A 127 -1.960 -0.323 -3.639 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.731 0.893 -3.715 1.00 0.12 C ATOM 1542 C GLU A 127 -1.927 2.044 -3.169 1.00 0.12 C ATOM 1543 O GLU A 127 -1.666 2.999 -3.879 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.035 0.770 -2.958 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.253 1.016 -3.826 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.347 0.134 -5.062 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.467 0.249 -5.943 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.252 -0.726 -5.127 1.00 1.43 O ATOM 0 H GLU A 127 -2.418 -1.089 -3.146 1.00 0.11 H new ATOM 0 HA GLU A 127 -2.967 1.077 -4.763 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.102 -0.227 -2.522 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.036 1.480 -2.131 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -6.148 0.867 -3.222 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -5.252 2.059 -4.141 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.503 1.953 -1.915 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.683 3.016 -1.358 1.00 0.11 C ATOM 1557 C HIS A 128 0.593 3.169 -2.163 1.00 0.10 C ATOM 1558 O HIS A 128 1.062 4.281 -2.320 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.354 2.804 0.119 1.00 0.11 C ATOM 1560 CG HIS A 128 0.138 4.063 0.779 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.620 4.108 2.069 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.183 5.339 0.320 1.00 0.14 C ATOM 1563 CE1 HIS A 128 0.940 5.355 2.376 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.684 6.119 1.333 1.00 0.15 N ATOM 0 H HIS A 128 -1.706 1.179 -1.282 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.270 3.932 -1.421 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.242 2.447 0.639 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.404 2.027 0.212 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.119 5.678 -0.660 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.343 5.690 3.321 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.834 7.127 1.286 1.00 0.15 H new ATOM 1573 N LEU A 129 1.137 2.070 -2.687 1.00 0.10 N ATOM 1574 CA LEU A 129 2.284 2.138 -3.577 1.00 0.12 C ATOM 1575 C LEU A 129 1.981 3.118 -4.675 1.00 0.15 C ATOM 1576 O LEU A 129 2.761 4.028 -4.959 1.00 0.18 O ATOM 1577 CB LEU A 129 2.588 0.746 -4.164 1.00 0.11 C ATOM 1578 CG LEU A 129 3.747 0.675 -5.154 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.816 1.667 -4.767 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.336 -0.722 -5.169 1.00 0.13 C ATOM 0 H LEU A 129 0.798 1.125 -2.507 1.00 0.10 H new ATOM 0 HA LEU A 129 3.163 2.468 -3.024 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.798 0.064 -3.340 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.690 0.379 -4.660 1.00 0.11 H new ATOM 0 HG LEU A 129 3.372 0.917 -6.149 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.640 1.610 -5.478 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.398 2.674 -4.775 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.183 1.435 -3.767 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.162 -0.761 -5.879 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.701 -0.974 -4.173 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.569 -1.437 -5.466 1.00 0.13 H new ATOM 1592 N GLU A 130 0.818 2.954 -5.250 1.00 0.17 N ATOM 1593 CA GLU A 130 0.371 3.828 -6.284 1.00 0.23 C ATOM 1594 C GLU A 130 0.111 5.216 -5.710 1.00 0.25 C ATOM 1595 O GLU A 130 0.591 6.208 -6.235 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.887 3.245 -6.940 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.263 3.875 -8.265 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.620 3.416 -8.760 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -3.645 4.021 -8.370 1.00 1.73 O ATOM 1600 OE2 GLU A 130 -2.668 2.449 -9.547 1.00 1.80 O ATOM 0 H GLU A 130 0.162 2.211 -5.010 1.00 0.17 H new ATOM 0 HA GLU A 130 1.141 3.922 -7.050 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.738 2.176 -7.091 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.724 3.356 -6.250 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.266 4.960 -8.160 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.506 3.628 -9.009 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.630 5.271 -4.616 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.960 6.530 -3.948 1.00 0.21 C ATOM 1609 C ILE A 131 0.293 7.385 -3.710 1.00 0.22 C ATOM 1610 O ILE A 131 0.260 8.603 -3.887 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.679 6.257 -2.612 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.190 6.060 -2.804 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.466 7.398 -1.633 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.587 5.085 -3.882 1.00 0.23 C ATOM 0 H ILE A 131 -1.023 4.447 -4.161 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.628 7.088 -4.604 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.246 5.339 -2.214 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.617 5.724 -1.859 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.639 7.027 -3.031 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.984 7.178 -0.700 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.400 7.515 -1.437 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.860 8.321 -2.058 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.674 5.022 -3.933 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.198 5.425 -4.842 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.177 4.102 -3.652 1.00 0.23 H new ATOM 1626 N LEU A 132 1.397 6.738 -3.326 1.00 0.18 N ATOM 1627 CA LEU A 132 2.658 7.446 -3.105 1.00 0.20 C ATOM 1628 C LEU A 132 3.078 8.160 -4.366 1.00 0.25 C ATOM 1629 O LEU A 132 3.483 9.320 -4.347 1.00 0.29 O ATOM 1630 CB LEU A 132 3.796 6.499 -2.736 1.00 0.21 C ATOM 1631 CG LEU A 132 3.467 5.415 -1.733 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.353 4.211 -1.989 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.655 5.907 -0.302 1.00 0.25 C ATOM 0 H LEU A 132 1.442 5.732 -3.163 1.00 0.18 H new ATOM 0 HA LEU A 132 2.479 8.141 -2.285 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.155 6.023 -3.649 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.620 7.092 -2.341 1.00 0.21 H new ATOM 0 HG LEU A 132 2.420 5.137 -1.854 1.00 0.21 H new ATOM 0 HD11 LEU A 132 4.119 3.427 -1.268 1.00 0.23 H new ATOM 0 HD12 LEU A 132 4.179 3.839 -2.999 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.399 4.500 -1.884 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.410 5.104 0.394 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.691 6.211 -0.155 1.00 0.25 H new ATOM 0 HD23 LEU A 132 2.998 6.757 -0.120 1.00 0.25 H new ATOM 1645 N GLN A 133 2.960 7.448 -5.468 1.00 0.28 N ATOM 1646 CA GLN A 133 3.410 7.972 -6.730 1.00 0.38 C ATOM 1647 C GLN A 133 2.357 8.911 -7.287 1.00 0.37 C ATOM 1648 O GLN A 133 2.655 9.764 -8.122 1.00 0.47 O ATOM 1649 CB GLN A 133 3.793 6.851 -7.714 1.00 0.58 C ATOM 1650 CG GLN A 133 2.663 5.907 -8.070 1.00 0.79 C ATOM 1651 CD GLN A 133 3.142 4.531 -8.497 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.353 4.268 -9.680 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.335 3.650 -7.524 1.00 0.31 N ATOM 0 H GLN A 133 2.558 6.511 -5.510 1.00 0.28 H new ATOM 0 HA GLN A 133 4.325 8.543 -6.574 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.172 7.304 -8.630 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.610 6.272 -7.284 1.00 0.58 H new ATOM 0 HG2 GLN A 133 2.001 5.803 -7.210 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.073 6.345 -8.875 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.147 3.910 -6.556 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.671 2.712 -7.744 1.00 0.31 H new