USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=16 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 73 THR OG1 : rot -79:sc= 0.257 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -1.57! X(o=-1.3!,f=-1.1) USER MOD Set 2.1: A 57 THR OG1 : rot 88:sc= 0.636 USER MOD Set 2.2: A 128 HIS : no HD1:sc= -3.68 X(o=-3,f=-2.7) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -149:sc= -8.44! (180deg=-11.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 1.09 (180deg=1.04) USER MOD Single : A 52 THR OG1 : rot 158:sc= 1.22 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -2.47! K(o=-2.5!,f=-3.6) USER MOD Single : A 61 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.11) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -12.1! C(o=-12!,f=-9.9!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -179:sc= -0.997 (180deg=-1.01) USER MOD Single : A 86 ASN : amide:sc= -2.07 K(o=-2.1,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= -1.1 K(o=-1.1,f=-0.35) USER MOD Single : A 97 LYS NZ :NH3+ -120:sc= -0.157 (180deg=-1.86!) USER MOD Single : A 99 CYS SG : rot 14:sc= 1.19 USER MOD Single : A 100 MET CE :methyl -110:sc= -0.883 (180deg=-2.28!) USER MOD Single : A 101 SER OG : rot -4:sc= 0.689 USER MOD Single : A 106 CYS SG : rot -150:sc= -1.66 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 110:sc= -0.0434 USER MOD Single : A 133 GLN : amide:sc= -5.81! C(o=-5.8!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.304 -2.059 2.335 1.00 0.41 N ATOM 224 CA MET A 44 -12.617 -1.772 3.574 1.00 0.41 C ATOM 225 C MET A 44 -11.382 -0.920 3.311 1.00 0.31 C ATOM 226 O MET A 44 -11.207 0.105 3.945 1.00 0.28 O ATOM 227 CB MET A 44 -12.266 -3.069 4.310 1.00 0.50 C ATOM 228 CG MET A 44 -13.498 -3.807 4.836 1.00 0.82 C ATOM 229 SD MET A 44 -14.633 -4.297 3.516 1.00 1.59 S ATOM 230 CE MET A 44 -16.113 -4.695 4.441 1.00 1.62 C ATOM 0 HA MET A 44 -13.282 -1.200 4.221 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.716 -3.726 3.636 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.603 -2.840 5.144 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.179 -4.694 5.384 1.00 0.82 H new ATOM 0 HG3 MET A 44 -14.025 -3.168 5.544 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.897 -5.013 3.754 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.898 -5.500 5.143 1.00 1.62 H new ATOM 0 HE3 MET A 44 -16.447 -3.814 4.990 1.00 1.62 H new ATOM 240 N MET A 45 -10.542 -1.318 2.354 1.00 0.28 N ATOM 241 CA MET A 45 -9.388 -0.489 1.986 1.00 0.22 C ATOM 242 C MET A 45 -9.840 0.796 1.308 1.00 0.20 C ATOM 243 O MET A 45 -9.207 1.831 1.453 1.00 0.20 O ATOM 244 CB MET A 45 -8.411 -1.227 1.066 1.00 0.24 C ATOM 245 CG MET A 45 -8.961 -1.481 -0.324 1.00 0.32 C ATOM 246 SD MET A 45 -7.941 -2.593 -1.302 1.00 0.98 S ATOM 247 CE MET A 45 -6.413 -1.673 -1.358 1.00 0.22 C ATOM 0 H MET A 45 -10.633 -2.188 1.829 1.00 0.28 H new ATOM 0 HA MET A 45 -8.868 -0.253 2.915 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.493 -0.646 0.984 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.145 -2.180 1.522 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.964 -1.900 -0.239 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.056 -0.530 -0.849 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.896 -1.883 -2.294 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.628 -0.606 -1.294 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.781 -1.967 -0.520 1.00 0.22 H new ATOM 257 N SER A 46 -10.920 0.722 0.551 1.00 0.24 N ATOM 258 CA SER A 46 -11.476 1.897 -0.093 1.00 0.30 C ATOM 259 C SER A 46 -11.694 3.010 0.935 1.00 0.27 C ATOM 260 O SER A 46 -11.187 4.120 0.786 1.00 0.30 O ATOM 261 CB SER A 46 -12.784 1.526 -0.793 1.00 0.39 C ATOM 262 OG SER A 46 -13.332 2.620 -1.508 1.00 0.53 O ATOM 0 H SER A 46 -11.430 -0.142 0.367 1.00 0.24 H new ATOM 0 HA SER A 46 -10.776 2.268 -0.842 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.606 0.697 -1.479 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.505 1.178 -0.053 1.00 0.39 H new ATOM 0 HG SER A 46 -14.165 2.342 -1.942 1.00 0.53 H new ATOM 268 N GLN A 47 -12.441 2.704 1.985 1.00 0.25 N ATOM 269 CA GLN A 47 -12.654 3.666 3.055 1.00 0.27 C ATOM 270 C GLN A 47 -11.437 3.790 3.986 1.00 0.24 C ATOM 271 O GLN A 47 -11.034 4.898 4.326 1.00 0.29 O ATOM 272 CB GLN A 47 -13.936 3.359 3.841 1.00 0.30 C ATOM 273 CG GLN A 47 -14.082 1.913 4.290 1.00 0.33 C ATOM 274 CD GLN A 47 -15.434 1.642 4.917 1.00 0.43 C ATOM 275 OE1 GLN A 47 -16.032 2.521 5.539 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.935 0.431 4.742 1.00 1.11 N ATOM 0 H GLN A 47 -12.906 1.806 2.119 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.782 4.638 2.579 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.968 4.002 4.720 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.795 3.621 3.223 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.941 1.253 3.434 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -13.297 1.676 5.008 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -15.407 -0.269 4.220 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.849 0.197 5.129 1.00 1.11 H new ATOM 285 N ALA A 48 -10.853 2.666 4.407 1.00 0.21 N ATOM 286 CA ALA A 48 -9.749 2.698 5.370 1.00 0.22 C ATOM 287 C ALA A 48 -8.449 3.188 4.753 1.00 0.20 C ATOM 288 O ALA A 48 -7.870 4.150 5.235 1.00 0.22 O ATOM 289 CB ALA A 48 -9.516 1.331 5.992 1.00 0.24 C ATOM 0 H ALA A 48 -11.122 1.731 4.100 1.00 0.21 H new ATOM 0 HA ALA A 48 -10.050 3.406 6.142 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.691 1.390 6.701 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.419 1.009 6.511 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.272 0.612 5.210 1.00 0.24 H new ATOM 295 N LEU A 49 -8.008 2.556 3.669 1.00 0.18 N ATOM 296 CA LEU A 49 -6.689 2.826 3.109 1.00 0.18 C ATOM 297 C LEU A 49 -6.628 4.210 2.520 1.00 0.19 C ATOM 298 O LEU A 49 -5.765 5.012 2.867 1.00 0.21 O ATOM 299 CB LEU A 49 -6.356 1.846 1.986 1.00 0.23 C ATOM 300 CG LEU A 49 -5.197 0.900 2.246 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.792 0.256 0.943 1.00 0.47 C ATOM 302 CD2 LEU A 49 -4.014 1.613 2.897 1.00 0.58 C ATOM 0 H LEU A 49 -8.545 1.853 3.161 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.977 2.724 3.928 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.244 1.250 1.776 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -6.136 2.419 1.085 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.521 0.133 2.950 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.960 -0.426 1.117 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.636 -0.299 0.534 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.487 1.027 0.235 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.207 0.900 3.065 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.663 2.409 2.241 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.326 2.040 3.850 1.00 0.58 H new ATOM 314 N LYS A 50 -7.543 4.473 1.609 1.00 0.19 N ATOM 315 CA LYS A 50 -7.507 5.693 0.839 1.00 0.21 C ATOM 316 C LYS A 50 -7.595 6.913 1.757 1.00 0.23 C ATOM 317 O LYS A 50 -7.047 7.973 1.457 1.00 0.27 O ATOM 318 CB LYS A 50 -8.621 5.680 -0.210 1.00 0.22 C ATOM 319 CG LYS A 50 -8.677 4.376 -0.993 1.00 0.20 C ATOM 320 CD LYS A 50 -7.353 4.073 -1.686 1.00 0.21 C ATOM 321 CE LYS A 50 -7.110 4.995 -2.867 1.00 0.24 C ATOM 322 NZ LYS A 50 -8.004 4.666 -4.006 1.00 0.55 N ATOM 0 H LYS A 50 -8.322 3.854 1.386 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.555 5.759 0.312 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.580 5.845 0.282 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.472 6.508 -0.902 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.930 3.558 -0.319 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.472 4.433 -1.737 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.537 4.176 -0.971 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.350 3.038 -2.027 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.272 6.029 -2.562 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.070 4.916 -3.184 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.733 5.233 -4.835 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.917 3.655 -4.235 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.989 4.879 -3.747 1.00 0.55 H new ATOM 336 N ALA A 51 -8.284 6.747 2.876 1.00 0.22 N ATOM 337 CA ALA A 51 -8.340 7.775 3.907 1.00 0.23 C ATOM 338 C ALA A 51 -7.075 7.783 4.775 1.00 0.23 C ATOM 339 O ALA A 51 -6.544 8.846 5.100 1.00 0.26 O ATOM 340 CB ALA A 51 -9.573 7.592 4.773 1.00 0.25 C ATOM 0 H ALA A 51 -8.816 5.905 3.095 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.399 8.740 3.403 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.599 8.368 5.538 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.467 7.663 4.153 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.540 6.613 5.251 1.00 0.25 H new ATOM 346 N THR A 52 -6.591 6.592 5.135 1.00 0.21 N ATOM 347 CA THR A 52 -5.526 6.449 6.128 1.00 0.22 C ATOM 348 C THR A 52 -4.172 6.927 5.615 1.00 0.21 C ATOM 349 O THR A 52 -3.250 7.126 6.405 1.00 0.23 O ATOM 350 CB THR A 52 -5.388 4.977 6.596 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.651 4.913 7.821 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.688 4.116 5.544 1.00 0.18 C ATOM 0 H THR A 52 -6.923 5.708 4.750 1.00 0.21 H new ATOM 0 HA THR A 52 -5.819 7.081 6.966 1.00 0.22 H new ATOM 0 HB THR A 52 -6.395 4.588 6.748 1.00 0.22 H new ATOM 0 HG1 THR A 52 -4.861 4.076 8.286 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.609 3.091 5.907 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.265 4.130 4.619 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.690 4.512 5.355 1.00 0.18 H new ATOM 360 N PHE A 53 -4.070 7.151 4.310 1.00 0.23 N ATOM 361 CA PHE A 53 -2.785 7.416 3.668 1.00 0.27 C ATOM 362 C PHE A 53 -2.026 8.559 4.321 1.00 0.32 C ATOM 363 O PHE A 53 -0.793 8.585 4.283 1.00 0.34 O ATOM 364 CB PHE A 53 -2.961 7.704 2.180 1.00 0.31 C ATOM 365 CG PHE A 53 -3.363 6.505 1.383 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.792 5.268 1.628 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.308 6.613 0.385 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.159 4.163 0.887 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.676 5.512 -0.356 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.100 4.286 -0.108 1.00 0.38 C ATOM 0 H PHE A 53 -4.866 7.155 3.672 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.193 6.509 3.794 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.714 8.482 2.055 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -2.026 8.098 1.782 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.051 5.167 2.407 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.764 7.571 0.182 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.708 3.203 1.088 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.419 5.610 -1.134 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.386 3.424 -0.693 1.00 0.38 H new ATOM 380 N SER A 54 -2.756 9.475 4.945 1.00 0.36 N ATOM 381 CA SER A 54 -2.156 10.608 5.628 1.00 0.44 C ATOM 382 C SER A 54 -1.095 10.152 6.628 1.00 0.39 C ATOM 383 O SER A 54 -0.112 10.849 6.853 1.00 0.46 O ATOM 384 CB SER A 54 -3.242 11.400 6.350 1.00 0.55 C ATOM 385 OG SER A 54 -4.288 11.746 5.461 1.00 1.37 O ATOM 0 H SER A 54 -3.775 9.452 4.990 1.00 0.36 H new ATOM 0 HA SER A 54 -1.670 11.240 4.885 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.641 10.810 7.175 1.00 0.55 H new ATOM 0 HB3 SER A 54 -2.813 12.304 6.782 1.00 0.55 H new ATOM 0 HG SER A 54 -4.974 12.252 5.944 1.00 1.37 H new ATOM 391 N GLY A 55 -1.302 8.969 7.198 1.00 0.31 N ATOM 392 CA GLY A 55 -0.412 8.444 8.215 1.00 0.28 C ATOM 393 C GLY A 55 1.046 8.355 7.785 1.00 0.22 C ATOM 394 O GLY A 55 1.898 9.058 8.333 1.00 0.25 O ATOM 0 H GLY A 55 -2.084 8.356 6.968 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.480 9.075 9.101 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.755 7.451 8.504 1.00 0.28 H new ATOM 398 N PHE A 56 1.344 7.505 6.807 1.00 0.15 N ATOM 399 CA PHE A 56 2.739 7.265 6.430 1.00 0.12 C ATOM 400 C PHE A 56 3.283 8.414 5.613 1.00 0.13 C ATOM 401 O PHE A 56 4.400 8.849 5.827 1.00 0.17 O ATOM 402 CB PHE A 56 2.915 5.969 5.641 1.00 0.13 C ATOM 403 CG PHE A 56 4.362 5.650 5.381 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.136 5.046 6.358 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.950 5.978 4.173 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.473 4.778 6.133 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.283 5.709 3.943 1.00 0.26 C ATOM 408 CZ PHE A 56 7.047 5.109 4.923 1.00 0.28 C ATOM 0 H PHE A 56 0.656 6.979 6.269 1.00 0.15 H new ATOM 0 HA PHE A 56 3.296 7.177 7.363 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.457 5.147 6.191 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.387 6.050 4.691 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.690 4.782 7.305 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.359 6.450 3.402 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.068 4.310 6.904 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.730 5.968 2.994 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.091 4.899 4.743 1.00 0.28 H new ATOM 418 N THR A 57 2.473 8.917 4.698 1.00 0.16 N ATOM 419 CA THR A 57 2.885 10.008 3.815 1.00 0.24 C ATOM 420 C THR A 57 3.296 11.240 4.634 1.00 0.26 C ATOM 421 O THR A 57 4.080 12.077 4.188 1.00 0.35 O ATOM 422 CB THR A 57 1.739 10.387 2.870 1.00 0.32 C ATOM 423 OG1 THR A 57 1.203 9.202 2.255 1.00 0.39 O ATOM 424 CG2 THR A 57 2.207 11.358 1.794 1.00 0.46 C ATOM 0 H THR A 57 1.520 8.589 4.542 1.00 0.16 H new ATOM 0 HA THR A 57 3.740 9.667 3.231 1.00 0.24 H new ATOM 0 HB THR A 57 0.964 10.879 3.458 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.500 8.827 2.825 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.371 11.607 1.140 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.584 12.267 2.263 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.001 10.896 1.208 1.00 0.46 H new ATOM 432 N LYS A 58 2.783 11.303 5.857 1.00 0.24 N ATOM 433 CA LYS A 58 3.091 12.391 6.774 1.00 0.31 C ATOM 434 C LYS A 58 4.474 12.195 7.378 1.00 0.29 C ATOM 435 O LYS A 58 5.305 13.105 7.372 1.00 0.31 O ATOM 436 CB LYS A 58 2.043 12.448 7.888 1.00 0.39 C ATOM 437 CG LYS A 58 2.400 13.350 9.055 1.00 0.50 C ATOM 438 CD LYS A 58 1.327 13.290 10.129 1.00 1.34 C ATOM 439 CE LYS A 58 1.754 14.006 11.396 1.00 1.93 C ATOM 440 NZ LYS A 58 0.663 14.030 12.406 1.00 2.52 N ATOM 0 H LYS A 58 2.145 10.605 6.239 1.00 0.24 H new ATOM 0 HA LYS A 58 3.077 13.330 6.220 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.099 12.786 7.462 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.879 11.438 8.265 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.359 13.047 9.475 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.515 14.376 8.706 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.409 13.739 9.750 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.101 12.249 10.359 1.00 1.34 H new ATOM 0 HE2 LYS A 58 2.629 13.511 11.817 1.00 1.93 H new ATOM 0 HE3 LYS A 58 2.050 15.027 11.155 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 0.990 14.527 13.259 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 -0.163 14.524 12.013 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 0.398 13.055 12.654 1.00 2.52 H new ATOM 454 N GLU A 59 4.727 10.995 7.879 1.00 0.26 N ATOM 455 CA GLU A 59 5.980 10.724 8.558 1.00 0.25 C ATOM 456 C GLU A 59 7.066 10.383 7.546 1.00 0.21 C ATOM 457 O GLU A 59 8.251 10.495 7.837 1.00 0.24 O ATOM 458 CB GLU A 59 5.820 9.610 9.596 1.00 0.31 C ATOM 459 CG GLU A 59 6.571 8.338 9.266 1.00 0.43 C ATOM 460 CD GLU A 59 6.751 7.457 10.482 1.00 0.76 C ATOM 461 OE1 GLU A 59 7.542 7.829 11.378 1.00 0.98 O ATOM 462 OE2 GLU A 59 6.097 6.398 10.560 1.00 0.97 O ATOM 0 H GLU A 59 4.087 10.202 7.828 1.00 0.26 H new ATOM 0 HA GLU A 59 6.281 11.625 9.093 1.00 0.25 H new ATOM 0 HB2 GLU A 59 6.161 9.979 10.563 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.761 9.376 9.700 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.031 7.787 8.496 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.548 8.590 8.853 1.00 0.43 H new ATOM 469 N GLN A 60 6.644 9.966 6.361 1.00 0.19 N ATOM 470 CA GLN A 60 7.551 9.702 5.253 1.00 0.19 C ATOM 471 C GLN A 60 8.408 10.927 5.020 1.00 0.22 C ATOM 472 O GLN A 60 9.628 10.851 4.950 1.00 0.23 O ATOM 473 CB GLN A 60 6.737 9.391 3.995 1.00 0.21 C ATOM 474 CG GLN A 60 7.497 8.677 2.903 1.00 0.28 C ATOM 475 CD GLN A 60 6.603 8.348 1.726 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.397 8.152 1.880 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.181 8.283 0.548 1.00 0.26 N ATOM 0 H GLN A 60 5.662 9.801 6.140 1.00 0.19 H new ATOM 0 HA GLN A 60 8.188 8.849 5.486 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.879 8.782 4.277 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.346 10.326 3.593 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.326 9.301 2.568 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.929 7.759 3.300 1.00 0.28 H new ATOM 0 HE21 GLN A 60 8.183 8.452 0.462 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.628 8.064 -0.280 1.00 0.26 H new ATOM 486 N GLN A 61 7.736 12.065 4.949 1.00 0.28 N ATOM 487 CA GLN A 61 8.403 13.353 4.813 1.00 0.34 C ATOM 488 C GLN A 61 9.331 13.608 6.000 1.00 0.34 C ATOM 489 O GLN A 61 10.455 14.091 5.842 1.00 0.37 O ATOM 490 CB GLN A 61 7.362 14.465 4.741 1.00 0.45 C ATOM 491 CG GLN A 61 6.442 14.364 3.533 1.00 0.58 C ATOM 492 CD GLN A 61 7.199 14.383 2.218 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.451 15.445 1.649 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.553 13.206 1.723 1.00 1.12 N ATOM 0 H GLN A 61 6.718 12.124 4.984 1.00 0.28 H new ATOM 0 HA GLN A 61 8.996 13.340 3.898 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.759 14.445 5.649 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.873 15.428 4.718 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.861 13.444 3.600 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.733 15.191 3.551 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.324 12.350 2.228 1.00 1.12 H new ATOM 0 HE22 GLN A 61 8.055 13.156 0.837 1.00 1.12 H new ATOM 503 N ARG A 62 8.842 13.258 7.183 1.00 0.34 N ATOM 504 CA ARG A 62 9.559 13.482 8.432 1.00 0.39 C ATOM 505 C ARG A 62 10.827 12.635 8.497 1.00 0.36 C ATOM 506 O ARG A 62 11.887 13.107 8.911 1.00 0.41 O ATOM 507 CB ARG A 62 8.647 13.141 9.610 1.00 0.44 C ATOM 508 CG ARG A 62 9.281 13.394 10.965 1.00 0.58 C ATOM 509 CD ARG A 62 9.524 14.875 11.198 1.00 1.13 C ATOM 510 NE ARG A 62 10.396 15.111 12.346 1.00 1.93 N ATOM 511 CZ ARG A 62 10.111 15.954 13.337 1.00 2.74 C ATOM 512 NH1 ARG A 62 8.948 16.587 13.354 1.00 2.99 N ATOM 513 NH2 ARG A 62 10.988 16.155 14.312 1.00 3.73 N ATOM 0 H ARG A 62 7.934 12.809 7.304 1.00 0.34 H new ATOM 0 HA ARG A 62 9.849 14.531 8.481 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.732 13.728 9.532 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.359 12.092 9.544 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.633 13.003 11.750 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.226 12.854 11.032 1.00 0.58 H new ATOM 0 HD2 ARG A 62 9.971 15.314 10.306 1.00 1.13 H new ATOM 0 HD3 ARG A 62 8.570 15.379 11.357 1.00 1.13 H new ATOM 0 HE ARG A 62 11.277 14.599 12.391 1.00 1.93 H new ATOM 0 HH11 ARG A 62 8.270 16.429 12.608 1.00 2.99 H new ATOM 0 HH12 ARG A 62 8.730 17.233 14.113 1.00 2.99 H new ATOM 0 HH21 ARG A 62 11.882 15.664 14.303 1.00 3.73 H new ATOM 0 HH22 ARG A 62 10.768 16.801 15.070 1.00 3.73 H new ATOM 527 N LEU A 63 10.701 11.382 8.090 1.00 0.30 N ATOM 528 CA LEU A 63 11.819 10.448 8.060 1.00 0.32 C ATOM 529 C LEU A 63 12.769 10.755 6.925 1.00 0.31 C ATOM 530 O LEU A 63 13.764 10.056 6.727 1.00 0.37 O ATOM 531 CB LEU A 63 11.303 9.014 7.953 1.00 0.33 C ATOM 532 CG LEU A 63 10.512 8.521 9.165 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.987 7.117 8.920 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.373 8.561 10.419 1.00 0.65 C ATOM 0 H LEU A 63 9.819 10.982 7.770 1.00 0.30 H new ATOM 0 HA LEU A 63 12.374 10.558 8.992 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.670 8.936 7.069 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.152 8.349 7.797 1.00 0.33 H new ATOM 0 HG LEU A 63 9.661 9.185 9.315 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.426 6.781 9.792 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.334 7.120 8.048 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.824 6.441 8.744 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.792 8.206 11.271 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.245 7.921 10.282 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.700 9.584 10.604 1.00 0.65 H new ATOM 546 N GLY A 64 12.479 11.818 6.197 1.00 0.28 N ATOM 547 CA GLY A 64 13.280 12.160 5.049 1.00 0.30 C ATOM 548 C GLY A 64 13.158 11.112 3.976 1.00 0.27 C ATOM 549 O GLY A 64 14.025 10.986 3.113 1.00 0.33 O ATOM 0 H GLY A 64 11.701 12.451 6.382 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.965 13.127 4.656 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.324 12.262 5.346 1.00 0.30 H new ATOM 553 N ILE A 65 12.078 10.349 4.041 1.00 0.22 N ATOM 554 CA ILE A 65 11.836 9.321 3.068 1.00 0.20 C ATOM 555 C ILE A 65 11.213 9.944 1.829 1.00 0.21 C ATOM 556 O ILE A 65 10.151 10.562 1.913 1.00 0.23 O ATOM 557 CB ILE A 65 10.907 8.199 3.587 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.506 7.531 4.821 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.665 7.164 2.493 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.692 6.359 5.335 1.00 0.20 C ATOM 0 H ILE A 65 11.361 10.430 4.762 1.00 0.22 H new ATOM 0 HA ILE A 65 12.799 8.863 2.841 1.00 0.20 H new ATOM 0 HB ILE A 65 9.953 8.646 3.866 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.513 7.187 4.584 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.601 8.272 5.615 1.00 0.20 H new ATOM 0 HG21 ILE A 65 10.009 6.380 2.872 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.196 7.645 1.634 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.616 6.726 2.189 1.00 0.19 H new ATOM 0 HD11 ILE A 65 11.179 5.935 6.213 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.692 6.700 5.604 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.619 5.598 4.558 1.00 0.20 H new ATOM 572 N PRO A 66 11.882 9.820 0.675 1.00 0.24 N ATOM 573 CA PRO A 66 11.364 10.310 -0.604 1.00 0.27 C ATOM 574 C PRO A 66 9.924 9.862 -0.828 1.00 0.22 C ATOM 575 O PRO A 66 9.586 8.711 -0.577 1.00 0.23 O ATOM 576 CB PRO A 66 12.284 9.656 -1.642 1.00 0.35 C ATOM 577 CG PRO A 66 13.159 8.707 -0.890 1.00 0.26 C ATOM 578 CD PRO A 66 13.199 9.201 0.522 1.00 0.31 C ATOM 0 HA PRO A 66 11.355 11.399 -0.655 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.703 9.131 -2.400 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.880 10.407 -2.160 1.00 0.35 H new ATOM 0 HG2 PRO A 66 12.762 7.693 -0.936 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.160 8.677 -1.320 1.00 0.26 H new ATOM 0 HD2 PRO A 66 13.351 8.389 1.233 1.00 0.31 H new ATOM 0 HD3 PRO A 66 14.005 9.917 0.679 1.00 0.31 H new ATOM 586 N LYS A 67 9.086 10.793 -1.277 1.00 0.25 N ATOM 587 CA LYS A 67 7.654 10.555 -1.432 1.00 0.27 C ATOM 588 C LYS A 67 7.355 9.448 -2.442 1.00 0.25 C ATOM 589 O LYS A 67 6.458 8.633 -2.233 1.00 0.36 O ATOM 590 CB LYS A 67 6.965 11.838 -1.877 1.00 0.43 C ATOM 591 CG LYS A 67 5.456 11.730 -1.890 1.00 1.04 C ATOM 592 CD LYS A 67 4.821 12.838 -2.712 1.00 1.15 C ATOM 593 CE LYS A 67 5.216 14.225 -2.229 1.00 1.67 C ATOM 594 NZ LYS A 67 4.623 15.287 -3.086 1.00 2.42 N ATOM 0 H LYS A 67 9.380 11.733 -1.543 1.00 0.25 H new ATOM 0 HA LYS A 67 7.273 10.233 -0.463 1.00 0.27 H new ATOM 0 HB2 LYS A 67 7.259 12.650 -1.212 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.313 12.102 -2.876 1.00 0.43 H new ATOM 0 HG2 LYS A 67 5.164 10.762 -2.297 1.00 1.04 H new ATOM 0 HG3 LYS A 67 5.079 11.773 -0.868 1.00 1.04 H new ATOM 0 HD2 LYS A 67 5.113 12.724 -3.756 1.00 1.15 H new ATOM 0 HD3 LYS A 67 3.736 12.739 -2.672 1.00 1.15 H new ATOM 0 HE2 LYS A 67 4.887 14.361 -1.199 1.00 1.67 H new ATOM 0 HE3 LYS A 67 6.302 14.317 -2.232 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 4.911 16.221 -2.731 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 4.957 15.171 -4.064 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 3.586 15.213 -3.063 1.00 2.42 H new ATOM 608 N ASP A 68 8.093 9.445 -3.537 1.00 0.28 N ATOM 609 CA ASP A 68 7.924 8.440 -4.579 1.00 0.28 C ATOM 610 C ASP A 68 8.506 7.121 -4.086 1.00 0.21 C ATOM 611 O ASP A 68 9.329 7.121 -3.187 1.00 0.23 O ATOM 612 CB ASP A 68 8.635 8.926 -5.849 1.00 0.39 C ATOM 613 CG ASP A 68 8.211 8.192 -7.098 1.00 1.12 C ATOM 614 OD1 ASP A 68 7.216 8.600 -7.727 1.00 1.65 O ATOM 615 OD2 ASP A 68 8.885 7.214 -7.465 1.00 1.88 O ATOM 0 H ASP A 68 8.822 10.132 -3.732 1.00 0.28 H new ATOM 0 HA ASP A 68 6.870 8.286 -4.810 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.440 9.990 -5.980 1.00 0.39 H new ATOM 0 HB3 ASP A 68 9.711 8.813 -5.719 1.00 0.39 H new ATOM 620 N PRO A 69 8.033 5.974 -4.588 1.00 0.19 N ATOM 621 CA PRO A 69 8.574 4.669 -4.209 1.00 0.20 C ATOM 622 C PRO A 69 9.622 4.111 -5.172 1.00 0.26 C ATOM 623 O PRO A 69 10.208 3.081 -4.895 1.00 0.65 O ATOM 624 CB PRO A 69 7.324 3.812 -4.250 1.00 0.40 C ATOM 625 CG PRO A 69 6.535 4.364 -5.395 1.00 0.37 C ATOM 626 CD PRO A 69 6.864 5.834 -5.474 1.00 0.22 C ATOM 0 HA PRO A 69 9.103 4.709 -3.257 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.567 2.761 -4.405 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.767 3.876 -3.315 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.795 3.858 -6.325 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.467 4.214 -5.238 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.095 6.139 -6.495 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.030 6.450 -5.138 1.00 0.22 H new ATOM 634 N ARG A 70 9.861 4.791 -6.284 1.00 0.20 N ATOM 635 CA ARG A 70 10.762 4.279 -7.331 1.00 0.26 C ATOM 636 C ARG A 70 12.239 4.402 -6.942 1.00 0.19 C ATOM 637 O ARG A 70 13.112 3.886 -7.636 1.00 0.27 O ATOM 638 CB ARG A 70 10.540 5.019 -8.657 1.00 0.46 C ATOM 639 CG ARG A 70 9.365 4.524 -9.497 1.00 0.96 C ATOM 640 CD ARG A 70 8.026 4.646 -8.781 1.00 0.87 C ATOM 641 NE ARG A 70 6.934 4.889 -9.724 1.00 1.06 N ATOM 642 CZ ARG A 70 5.946 4.035 -9.971 1.00 1.29 C ATOM 643 NH1 ARG A 70 5.884 2.870 -9.336 1.00 1.89 N ATOM 644 NH2 ARG A 70 5.010 4.348 -10.859 1.00 1.79 N ATOM 0 H ARG A 70 9.448 5.700 -6.493 1.00 0.20 H new ATOM 0 HA ARG A 70 10.521 3.222 -7.448 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.390 6.077 -8.442 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.449 4.941 -9.253 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.326 5.091 -10.427 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.533 3.481 -9.767 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.827 3.733 -8.220 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.072 5.460 -8.058 1.00 0.87 H new ATOM 0 HE ARG A 70 6.931 5.776 -10.227 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.599 2.624 -8.651 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.121 2.222 -9.533 1.00 1.89 H new ATOM 0 HH21 ARG A 70 5.051 5.242 -11.349 1.00 1.79 H new ATOM 0 HH22 ARG A 70 4.250 3.695 -11.051 1.00 1.79 H new ATOM 658 N GLN A 71 12.510 5.066 -5.834 1.00 0.16 N ATOM 659 CA GLN A 71 13.889 5.362 -5.443 1.00 0.16 C ATOM 660 C GLN A 71 14.154 5.003 -3.979 1.00 0.15 C ATOM 661 O GLN A 71 15.132 5.456 -3.380 1.00 0.18 O ATOM 662 CB GLN A 71 14.192 6.855 -5.668 1.00 0.20 C ATOM 663 CG GLN A 71 13.680 7.746 -4.550 1.00 0.38 C ATOM 664 CD GLN A 71 12.182 7.652 -4.383 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.441 8.458 -4.930 1.00 0.89 O ATOM 666 NE2 GLN A 71 11.726 6.623 -3.674 1.00 0.29 N ATOM 0 H GLN A 71 11.802 5.412 -5.187 1.00 0.16 H new ATOM 0 HA GLN A 71 14.544 4.752 -6.065 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.269 6.989 -5.766 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.744 7.172 -6.610 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.166 7.467 -3.615 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.956 8.780 -4.757 1.00 0.38 H new ATOM 0 HE21 GLN A 71 12.381 5.976 -3.235 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.721 6.481 -3.569 1.00 0.29 H new ATOM 675 N TRP A 72 13.294 4.181 -3.401 1.00 0.12 N ATOM 676 CA TRP A 72 13.402 3.844 -1.993 1.00 0.11 C ATOM 677 C TRP A 72 14.492 2.820 -1.761 1.00 0.12 C ATOM 678 O TRP A 72 15.006 2.227 -2.698 1.00 0.14 O ATOM 679 CB TRP A 72 12.076 3.247 -1.515 1.00 0.11 C ATOM 680 CG TRP A 72 11.070 4.250 -1.075 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.264 5.577 -0.855 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.704 3.986 -0.776 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.090 6.157 -0.455 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.115 5.198 -0.397 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.920 2.838 -0.800 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.770 5.293 -0.045 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.594 2.931 -0.451 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.030 4.149 -0.079 1.00 0.10 C ATOM 0 H TRP A 72 12.514 3.736 -3.885 1.00 0.12 H new ATOM 0 HA TRP A 72 13.642 4.754 -1.443 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.648 2.652 -2.322 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.276 2.565 -0.688 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.203 6.096 -0.977 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.962 7.145 -0.236 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.346 1.888 -1.088 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.331 6.237 0.244 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.978 2.044 -0.465 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.984 4.188 0.188 1.00 0.10 H new ATOM 699 N THR A 73 14.898 2.676 -0.515 1.00 0.14 N ATOM 700 CA THR A 73 15.736 1.572 -0.116 1.00 0.15 C ATOM 701 C THR A 73 14.852 0.452 0.410 1.00 0.15 C ATOM 702 O THR A 73 13.644 0.652 0.557 1.00 0.16 O ATOM 703 CB THR A 73 16.720 2.002 0.988 1.00 0.18 C ATOM 704 OG1 THR A 73 15.987 2.513 2.111 1.00 0.19 O ATOM 705 CG2 THR A 73 17.672 3.074 0.480 1.00 0.21 C ATOM 0 H THR A 73 14.657 3.317 0.241 1.00 0.14 H new ATOM 0 HA THR A 73 16.310 1.234 -0.979 1.00 0.15 H new ATOM 0 HB THR A 73 17.304 1.131 1.287 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.706 3.434 1.927 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.357 3.361 1.278 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.241 2.685 -0.364 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.101 3.946 0.161 1.00 0.21 H new ATOM 713 N GLU A 74 15.427 -0.700 0.714 1.00 0.17 N ATOM 714 CA GLU A 74 14.653 -1.795 1.291 1.00 0.20 C ATOM 715 C GLU A 74 14.038 -1.359 2.619 1.00 0.19 C ATOM 716 O GLU A 74 12.945 -1.788 2.986 1.00 0.28 O ATOM 717 CB GLU A 74 15.540 -3.021 1.489 1.00 0.29 C ATOM 718 CG GLU A 74 16.157 -3.531 0.199 1.00 1.25 C ATOM 719 CD GLU A 74 17.063 -4.719 0.424 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.238 -4.510 0.789 1.00 1.99 O ATOM 721 OE2 GLU A 74 16.603 -5.865 0.236 1.00 2.67 O ATOM 0 H GLU A 74 16.417 -0.904 0.574 1.00 0.17 H new ATOM 0 HA GLU A 74 13.848 -2.059 0.605 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.336 -2.775 2.192 1.00 0.29 H new ATOM 0 HB3 GLU A 74 14.950 -3.818 1.941 1.00 0.29 H new ATOM 0 HG2 GLU A 74 15.364 -3.809 -0.495 1.00 1.25 H new ATOM 0 HG3 GLU A 74 16.725 -2.728 -0.271 1.00 1.25 H new ATOM 728 N THR A 75 14.726 -0.453 3.302 1.00 0.18 N ATOM 729 CA THR A 75 14.277 0.046 4.587 1.00 0.21 C ATOM 730 C THR A 75 13.073 0.968 4.407 1.00 0.17 C ATOM 731 O THR A 75 12.113 0.912 5.172 1.00 0.20 O ATOM 732 CB THR A 75 15.415 0.807 5.293 1.00 0.29 C ATOM 733 OG1 THR A 75 16.641 0.069 5.163 1.00 0.47 O ATOM 734 CG2 THR A 75 15.102 1.016 6.767 1.00 0.47 C ATOM 0 H THR A 75 15.605 -0.048 2.980 1.00 0.18 H new ATOM 0 HA THR A 75 13.984 -0.804 5.203 1.00 0.21 H new ATOM 0 HB THR A 75 15.518 1.784 4.821 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.364 0.555 5.611 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.922 1.556 7.240 1.00 0.47 H new ATOM 0 HG22 THR A 75 14.183 1.594 6.865 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.976 0.048 7.253 1.00 0.47 H new ATOM 742 N HIS A 76 13.113 1.786 3.358 1.00 0.14 N ATOM 743 CA HIS A 76 12.038 2.735 3.087 1.00 0.12 C ATOM 744 C HIS A 76 10.802 2.004 2.571 1.00 0.10 C ATOM 745 O HIS A 76 9.674 2.300 2.975 1.00 0.10 O ATOM 746 CB HIS A 76 12.490 3.792 2.073 1.00 0.14 C ATOM 747 CG HIS A 76 13.522 4.742 2.603 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.467 5.357 1.809 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.739 5.200 3.857 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.218 6.144 2.551 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.800 6.068 3.798 1.00 0.19 N ATOM 0 H HIS A 76 13.877 1.810 2.683 1.00 0.14 H new ATOM 0 HA HIS A 76 11.784 3.239 4.020 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.892 3.289 1.193 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.621 4.362 1.745 1.00 0.14 H new ATOM 0 HD2 HIS A 76 13.180 4.932 4.742 1.00 0.16 H new ATOM 0 HE1 HIS A 76 16.039 6.750 2.197 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.200 6.572 4.590 1.00 0.19 H new ATOM 760 N VAL A 77 11.032 1.040 1.683 1.00 0.09 N ATOM 761 CA VAL A 77 9.970 0.239 1.121 1.00 0.07 C ATOM 762 C VAL A 77 9.262 -0.544 2.219 1.00 0.08 C ATOM 763 O VAL A 77 8.057 -0.412 2.392 1.00 0.08 O ATOM 764 CB VAL A 77 10.515 -0.722 0.035 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.472 -1.754 -0.345 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.967 0.063 -1.198 1.00 0.08 C ATOM 0 H VAL A 77 11.962 0.799 1.339 1.00 0.09 H new ATOM 0 HA VAL A 77 9.251 0.909 0.649 1.00 0.07 H new ATOM 0 HB VAL A 77 11.377 -1.246 0.447 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.878 -2.417 -1.109 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.200 -2.337 0.535 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.587 -1.251 -0.734 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.347 -0.628 -1.950 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.122 0.616 -1.607 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.755 0.761 -0.916 1.00 0.08 H new ATOM 776 N ARG A 78 10.021 -1.317 2.995 1.00 0.09 N ATOM 777 CA ARG A 78 9.440 -2.151 4.048 1.00 0.11 C ATOM 778 C ARG A 78 8.770 -1.306 5.128 1.00 0.10 C ATOM 779 O ARG A 78 7.840 -1.765 5.790 1.00 0.14 O ATOM 780 CB ARG A 78 10.500 -3.054 4.671 1.00 0.18 C ATOM 781 CG ARG A 78 11.042 -4.097 3.708 1.00 0.37 C ATOM 782 CD ARG A 78 12.000 -5.048 4.399 1.00 0.40 C ATOM 783 NE ARG A 78 12.683 -5.917 3.447 1.00 1.11 N ATOM 784 CZ ARG A 78 13.976 -6.227 3.520 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.737 -5.700 4.474 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.512 -7.053 2.627 1.00 2.21 N ATOM 0 H ARG A 78 11.036 -1.384 2.915 1.00 0.09 H new ATOM 0 HA ARG A 78 8.675 -2.774 3.584 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.325 -2.439 5.032 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.074 -3.557 5.539 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.215 -4.661 3.278 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.552 -3.601 2.883 1.00 0.37 H new ATOM 0 HD2 ARG A 78 12.737 -4.476 4.962 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.452 -5.657 5.118 1.00 0.40 H new ATOM 0 HE ARG A 78 12.138 -6.311 2.680 1.00 1.11 H new ATOM 0 HH11 ARG A 78 14.331 -5.056 5.153 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.727 -5.940 4.527 1.00 1.57 H new ATOM 0 HH21 ARG A 78 13.933 -7.449 1.886 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.502 -7.291 2.682 1.00 2.21 H new ATOM 800 N ASP A 79 9.245 -0.078 5.296 1.00 0.11 N ATOM 801 CA ASP A 79 8.633 0.873 6.220 1.00 0.12 C ATOM 802 C ASP A 79 7.183 1.085 5.840 1.00 0.11 C ATOM 803 O ASP A 79 6.253 0.869 6.631 1.00 0.12 O ATOM 804 CB ASP A 79 9.353 2.216 6.146 1.00 0.16 C ATOM 805 CG ASP A 79 9.629 2.798 7.515 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.703 2.845 8.347 1.00 1.05 O ATOM 807 OD2 ASP A 79 10.793 3.169 7.781 1.00 0.95 O ATOM 0 H ASP A 79 10.059 0.286 4.801 1.00 0.11 H new ATOM 0 HA ASP A 79 8.705 0.473 7.231 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.294 2.092 5.610 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.749 2.918 5.571 1.00 0.16 H new ATOM 812 N TRP A 80 7.003 1.458 4.591 1.00 0.10 N ATOM 813 CA TRP A 80 5.698 1.738 4.046 1.00 0.09 C ATOM 814 C TRP A 80 4.925 0.437 3.871 1.00 0.09 C ATOM 815 O TRP A 80 3.693 0.409 3.952 1.00 0.09 O ATOM 816 CB TRP A 80 5.912 2.465 2.721 1.00 0.09 C ATOM 817 CG TRP A 80 4.851 2.262 1.705 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.771 3.052 1.466 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.795 1.195 0.761 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.050 2.537 0.420 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.659 1.394 -0.022 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.605 0.086 0.510 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.310 0.529 -1.042 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.255 -0.775 -0.504 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.116 -0.549 -1.272 1.00 0.10 C ATOM 0 H TRP A 80 7.765 1.575 3.923 1.00 0.10 H new ATOM 0 HA TRP A 80 5.106 2.367 4.711 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.999 3.533 2.922 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.863 2.141 2.298 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.520 3.947 2.015 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.197 2.941 0.033 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.491 -0.093 1.102 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.427 0.701 -1.639 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.872 -1.638 -0.707 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.865 -1.239 -2.064 1.00 0.10 H new ATOM 836 N VAL A 81 5.679 -0.640 3.671 1.00 0.10 N ATOM 837 CA VAL A 81 5.127 -1.971 3.513 1.00 0.11 C ATOM 838 C VAL A 81 4.351 -2.357 4.763 1.00 0.11 C ATOM 839 O VAL A 81 3.157 -2.636 4.709 1.00 0.11 O ATOM 840 CB VAL A 81 6.259 -2.995 3.232 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.884 -4.403 3.659 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.632 -2.990 1.758 1.00 0.14 C ATOM 0 H VAL A 81 6.697 -0.608 3.614 1.00 0.10 H new ATOM 0 HA VAL A 81 4.446 -1.976 2.662 1.00 0.11 H new ATOM 0 HB VAL A 81 7.117 -2.685 3.828 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.709 -5.081 3.441 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.677 -4.416 4.729 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.997 -4.724 3.114 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.427 -3.714 1.581 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.760 -3.256 1.161 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.977 -1.996 1.473 1.00 0.14 H new ATOM 852 N MET A 82 5.026 -2.341 5.898 1.00 0.11 N ATOM 853 CA MET A 82 4.359 -2.651 7.150 1.00 0.12 C ATOM 854 C MET A 82 3.402 -1.560 7.581 1.00 0.11 C ATOM 855 O MET A 82 2.612 -1.793 8.474 1.00 0.12 O ATOM 856 CB MET A 82 5.318 -2.954 8.295 1.00 0.15 C ATOM 857 CG MET A 82 6.385 -1.896 8.516 1.00 0.13 C ATOM 858 SD MET A 82 6.932 -1.805 10.234 1.00 0.49 S ATOM 859 CE MET A 82 7.099 -3.543 10.630 1.00 0.42 C ATOM 0 H MET A 82 6.019 -2.121 5.980 1.00 0.11 H new ATOM 0 HA MET A 82 3.795 -3.559 6.935 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.743 -3.070 9.214 1.00 0.15 H new ATOM 0 HB3 MET A 82 5.806 -3.909 8.101 1.00 0.15 H new ATOM 0 HG2 MET A 82 7.242 -2.111 7.877 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.996 -0.925 8.211 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.414 -3.651 11.668 1.00 0.42 H new ATOM 0 HE2 MET A 82 6.141 -4.042 10.488 1.00 0.42 H new ATOM 0 HE3 MET A 82 7.844 -3.995 9.976 1.00 0.42 H new ATOM 869 N TRP A 83 3.467 -0.362 7.009 1.00 0.09 N ATOM 870 CA TRP A 83 2.540 0.670 7.449 1.00 0.09 C ATOM 871 C TRP A 83 1.106 0.360 7.026 1.00 0.09 C ATOM 872 O TRP A 83 0.226 0.250 7.875 1.00 0.11 O ATOM 873 CB TRP A 83 2.937 2.068 6.966 1.00 0.09 C ATOM 874 CG TRP A 83 1.943 3.102 7.371 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.875 3.752 8.567 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.862 3.595 6.580 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.815 4.623 8.566 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.180 4.545 7.354 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.411 3.326 5.285 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.932 5.225 6.877 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.693 4.003 4.815 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.351 4.943 5.607 1.00 0.15 C ATOM 0 H TRP A 83 4.120 -0.090 6.274 1.00 0.09 H new ATOM 0 HA TRP A 83 2.592 0.669 8.538 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.915 2.327 7.371 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.033 2.063 5.880 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.555 3.603 9.393 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.544 5.229 9.340 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.918 2.602 4.665 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.448 5.951 7.488 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.054 3.802 3.817 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.211 5.460 5.208 1.00 0.15 H new ATOM 893 N ALA A 84 0.847 0.217 5.735 1.00 0.09 N ATOM 894 CA ALA A 84 -0.512 -0.094 5.308 1.00 0.10 C ATOM 895 C ALA A 84 -0.920 -1.428 5.909 1.00 0.10 C ATOM 896 O ALA A 84 -2.072 -1.649 6.279 1.00 0.12 O ATOM 897 CB ALA A 84 -0.638 -0.114 3.793 1.00 0.12 C ATOM 0 H ALA A 84 1.533 0.307 4.985 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.182 0.689 5.663 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.666 -0.349 3.516 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.369 0.864 3.393 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.031 -0.870 3.382 1.00 0.12 H new ATOM 903 N VAL A 85 0.070 -2.294 6.038 1.00 0.10 N ATOM 904 CA VAL A 85 -0.082 -3.575 6.698 1.00 0.11 C ATOM 905 C VAL A 85 -0.466 -3.435 8.178 1.00 0.13 C ATOM 906 O VAL A 85 -1.483 -3.972 8.600 1.00 0.14 O ATOM 907 CB VAL A 85 1.225 -4.398 6.544 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.398 -5.432 7.645 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.259 -5.072 5.185 1.00 0.14 C ATOM 0 H VAL A 85 1.011 -2.124 5.683 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.905 -4.101 6.214 1.00 0.11 H new ATOM 0 HB VAL A 85 2.056 -3.698 6.629 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.328 -5.979 7.488 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.430 -4.931 8.613 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.560 -6.129 7.625 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.180 -5.647 5.087 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.403 -5.739 5.088 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.219 -4.315 4.402 1.00 0.14 H new ATOM 919 N ASN A 86 0.326 -2.715 8.964 1.00 0.15 N ATOM 920 CA ASN A 86 0.108 -2.674 10.408 1.00 0.19 C ATOM 921 C ASN A 86 -1.121 -1.860 10.775 1.00 0.23 C ATOM 922 O ASN A 86 -1.702 -2.045 11.843 1.00 0.27 O ATOM 923 CB ASN A 86 1.350 -2.193 11.176 1.00 0.23 C ATOM 924 CG ASN A 86 1.499 -0.683 11.289 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.995 -0.172 12.291 1.00 0.61 O ATOM 926 ND2 ASN A 86 1.092 0.040 10.271 1.00 0.32 N ATOM 0 H ASN A 86 1.114 -2.159 8.634 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.078 -3.702 10.718 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.322 -2.615 12.181 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.238 -2.594 10.686 1.00 0.23 H new ATOM 0 HD21 ASN A 86 1.183 1.056 10.298 1.00 0.32 H new ATOM 0 HD22 ASN A 86 0.684 -0.414 9.454 1.00 0.32 H new ATOM 933 N GLU A 87 -1.534 -0.974 9.880 1.00 0.24 N ATOM 934 CA GLU A 87 -2.710 -0.163 10.118 1.00 0.31 C ATOM 935 C GLU A 87 -3.929 -1.035 9.902 1.00 0.28 C ATOM 936 O GLU A 87 -4.895 -1.009 10.661 1.00 0.35 O ATOM 937 CB GLU A 87 -2.729 1.028 9.166 1.00 0.38 C ATOM 938 CG GLU A 87 -3.167 2.317 9.826 1.00 1.23 C ATOM 939 CD GLU A 87 -4.631 2.331 10.214 1.00 1.35 C ATOM 940 OE1 GLU A 87 -4.983 1.727 11.246 1.00 2.15 O ATOM 941 OE2 GLU A 87 -5.431 2.968 9.496 1.00 1.08 O ATOM 0 H GLU A 87 -1.072 -0.802 8.987 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.704 0.225 11.137 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -1.732 1.164 8.746 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -3.398 0.808 8.334 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -2.562 2.483 10.717 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -2.971 3.148 9.148 1.00 1.23 H new ATOM 948 N PHE A 88 -3.839 -1.839 8.861 1.00 0.23 N ATOM 949 CA PHE A 88 -4.857 -2.811 8.537 1.00 0.23 C ATOM 950 C PHE A 88 -4.776 -4.021 9.450 1.00 0.25 C ATOM 951 O PHE A 88 -5.585 -4.943 9.348 1.00 0.30 O ATOM 952 CB PHE A 88 -4.687 -3.249 7.096 1.00 0.24 C ATOM 953 CG PHE A 88 -5.582 -2.509 6.160 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.865 -2.968 5.914 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.154 -1.355 5.536 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.704 -2.288 5.060 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.989 -0.673 4.682 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.265 -1.138 4.444 1.00 0.45 C ATOM 0 H PHE A 88 -3.051 -1.834 8.214 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.834 -2.347 8.677 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.650 -3.100 6.795 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -4.891 -4.317 7.019 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.211 -3.869 6.397 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.156 -0.985 5.720 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.702 -2.655 4.874 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.645 0.228 4.197 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.920 -0.600 3.774 1.00 0.45 H new ATOM 968 N SER A 89 -3.794 -3.994 10.356 1.00 0.27 N ATOM 969 CA SER A 89 -3.526 -5.117 11.241 1.00 0.34 C ATOM 970 C SER A 89 -3.287 -6.404 10.445 1.00 0.36 C ATOM 971 O SER A 89 -3.683 -7.488 10.872 1.00 0.48 O ATOM 972 CB SER A 89 -4.690 -5.301 12.221 1.00 0.45 C ATOM 973 OG SER A 89 -4.966 -4.090 12.915 1.00 1.07 O ATOM 0 H SER A 89 -3.171 -3.198 10.491 1.00 0.27 H new ATOM 0 HA SER A 89 -2.618 -4.900 11.804 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.579 -5.625 11.679 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.448 -6.087 12.936 1.00 0.45 H new ATOM 0 HG SER A 89 -5.713 -4.230 13.533 1.00 1.07 H new ATOM 979 N LEU A 90 -2.623 -6.283 9.294 1.00 0.31 N ATOM 980 CA LEU A 90 -2.355 -7.439 8.449 1.00 0.40 C ATOM 981 C LEU A 90 -1.242 -8.244 9.084 1.00 0.59 C ATOM 982 O LEU A 90 -1.336 -9.463 9.215 1.00 1.23 O ATOM 983 CB LEU A 90 -1.924 -6.965 7.055 1.00 0.33 C ATOM 984 CG LEU A 90 -2.821 -5.887 6.443 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.279 -5.439 5.101 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.245 -6.404 6.297 1.00 0.27 C ATOM 0 H LEU A 90 -2.264 -5.400 8.931 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.250 -8.053 8.351 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.906 -6.581 7.115 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.901 -7.824 6.384 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.831 -5.026 7.112 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.931 -4.672 4.683 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.277 -5.031 5.231 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.239 -6.291 4.422 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.871 -5.626 5.860 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.249 -7.280 5.648 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.635 -6.677 7.277 1.00 0.27 H new ATOM 998 N LYS A 91 -0.209 -7.502 9.485 1.00 0.24 N ATOM 999 CA LYS A 91 0.884 -7.966 10.342 1.00 0.39 C ATOM 1000 C LYS A 91 1.281 -9.430 10.129 1.00 0.26 C ATOM 1001 O LYS A 91 1.547 -10.156 11.088 1.00 0.39 O ATOM 1002 CB LYS A 91 0.504 -7.696 11.797 1.00 0.78 C ATOM 1003 CG LYS A 91 0.179 -6.227 12.042 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.306 -5.965 13.458 1.00 1.49 C ATOM 1005 CE LYS A 91 0.776 -6.244 14.482 1.00 1.91 C ATOM 1006 NZ LYS A 91 0.367 -5.817 15.845 1.00 2.48 N ATOM 0 H LYS A 91 -0.106 -6.525 9.212 1.00 0.24 H new ATOM 0 HA LYS A 91 1.777 -7.405 10.065 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.358 -8.307 12.065 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.324 -7.999 12.448 1.00 0.78 H new ATOM 0 HG2 LYS A 91 1.067 -5.625 11.849 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.585 -5.905 11.335 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -0.631 -4.928 13.545 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -1.174 -6.590 13.667 1.00 1.49 H new ATOM 0 HE2 LYS A 91 1.005 -7.310 14.488 1.00 1.91 H new ATOM 0 HE3 LYS A 91 1.690 -5.723 14.197 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 1.132 -6.024 16.518 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 0.173 -4.795 15.845 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -0.491 -6.333 16.127 1.00 2.48 H new ATOM 1020 N GLY A 92 1.323 -9.862 8.878 1.00 0.26 N ATOM 1021 CA GLY A 92 1.829 -11.174 8.561 1.00 0.31 C ATOM 1022 C GLY A 92 2.550 -11.139 7.234 1.00 0.31 C ATOM 1023 O GLY A 92 2.458 -12.065 6.432 1.00 0.47 O ATOM 0 H GLY A 92 1.012 -9.319 8.072 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.507 -11.511 9.345 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.008 -11.890 8.520 1.00 0.31 H new ATOM 1027 N VAL A 93 3.270 -10.048 7.020 1.00 0.21 N ATOM 1028 CA VAL A 93 3.977 -9.803 5.784 1.00 0.21 C ATOM 1029 C VAL A 93 5.388 -10.345 5.884 1.00 0.20 C ATOM 1030 O VAL A 93 6.080 -10.112 6.877 1.00 0.22 O ATOM 1031 CB VAL A 93 3.981 -8.285 5.464 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.363 -7.770 5.095 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.011 -7.998 4.341 1.00 0.23 C ATOM 0 H VAL A 93 3.377 -9.304 7.710 1.00 0.21 H new ATOM 0 HA VAL A 93 3.470 -10.318 4.968 1.00 0.21 H new ATOM 0 HB VAL A 93 3.673 -7.762 6.370 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.308 -6.703 4.881 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.048 -7.939 5.926 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.725 -8.299 4.213 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.017 -6.931 4.119 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.308 -8.555 3.452 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.008 -8.301 4.640 1.00 0.23 H new ATOM 1043 N ASP A 94 5.810 -11.090 4.877 1.00 0.21 N ATOM 1044 CA ASP A 94 7.172 -11.571 4.850 1.00 0.24 C ATOM 1045 C ASP A 94 8.036 -10.489 4.253 1.00 0.21 C ATOM 1046 O ASP A 94 8.094 -10.328 3.037 1.00 0.20 O ATOM 1047 CB ASP A 94 7.311 -12.871 4.057 1.00 0.32 C ATOM 1048 CG ASP A 94 8.745 -13.373 4.035 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.421 -13.308 5.087 1.00 1.10 O ATOM 1050 OD2 ASP A 94 9.202 -13.839 2.970 1.00 1.94 O ATOM 0 H ASP A 94 5.237 -11.369 4.081 1.00 0.21 H new ATOM 0 HA ASP A 94 7.489 -11.799 5.868 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.667 -13.633 4.495 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.967 -12.711 3.035 1.00 0.32 H new ATOM 1055 N PHE A 95 8.676 -9.730 5.124 1.00 0.23 N ATOM 1056 CA PHE A 95 9.487 -8.594 4.715 1.00 0.24 C ATOM 1057 C PHE A 95 10.593 -9.032 3.768 1.00 0.23 C ATOM 1058 O PHE A 95 11.161 -8.228 3.032 1.00 0.28 O ATOM 1059 CB PHE A 95 10.088 -7.901 5.937 1.00 0.29 C ATOM 1060 CG PHE A 95 9.053 -7.287 6.826 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.491 -6.066 6.501 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.637 -7.929 7.980 1.00 0.41 C ATOM 1063 CE1 PHE A 95 7.533 -5.495 7.307 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.676 -7.361 8.795 1.00 0.52 C ATOM 1065 CZ PHE A 95 7.123 -6.142 8.456 1.00 0.61 C ATOM 0 H PHE A 95 8.649 -9.882 6.132 1.00 0.23 H new ATOM 0 HA PHE A 95 8.842 -7.889 4.190 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.669 -8.624 6.510 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.780 -7.127 5.606 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.808 -5.555 5.604 1.00 0.55 H new ATOM 0 HD2 PHE A 95 9.068 -8.883 8.246 1.00 0.41 H new ATOM 0 HE1 PHE A 95 7.102 -4.541 7.041 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.359 -7.869 9.694 1.00 0.52 H new ATOM 0 HZ PHE A 95 6.371 -5.695 9.089 1.00 0.61 H new ATOM 1075 N GLN A 96 10.880 -10.318 3.786 1.00 0.21 N ATOM 1076 CA GLN A 96 11.916 -10.867 2.934 1.00 0.24 C ATOM 1077 C GLN A 96 11.371 -11.229 1.564 1.00 0.21 C ATOM 1078 O GLN A 96 12.125 -11.294 0.593 1.00 0.25 O ATOM 1079 CB GLN A 96 12.572 -12.072 3.589 1.00 0.33 C ATOM 1080 CG GLN A 96 13.355 -11.714 4.843 1.00 1.06 C ATOM 1081 CD GLN A 96 14.402 -10.629 4.610 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.684 -9.824 5.500 1.00 2.08 O ATOM 1083 NE2 GLN A 96 15.005 -10.608 3.428 1.00 1.93 N ATOM 0 H GLN A 96 10.411 -11.002 4.380 1.00 0.21 H new ATOM 0 HA GLN A 96 12.675 -10.097 2.797 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.805 -12.803 3.843 1.00 0.33 H new ATOM 0 HB3 GLN A 96 13.242 -12.548 2.873 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.661 -11.380 5.614 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.847 -12.609 5.224 1.00 1.06 H new ATOM 0 HE21 GLN A 96 14.749 -11.288 2.713 1.00 1.93 H new ATOM 0 HE22 GLN A 96 15.725 -9.912 3.235 1.00 1.93 H new ATOM 1092 N LYS A 97 10.069 -11.465 1.473 1.00 0.18 N ATOM 1093 CA LYS A 97 9.426 -11.588 0.178 1.00 0.19 C ATOM 1094 C LYS A 97 9.237 -10.179 -0.341 1.00 0.17 C ATOM 1095 O LYS A 97 9.279 -9.915 -1.539 1.00 0.20 O ATOM 1096 CB LYS A 97 8.068 -12.293 0.300 1.00 0.23 C ATOM 1097 CG LYS A 97 7.695 -13.158 -0.901 1.00 0.26 C ATOM 1098 CD LYS A 97 7.415 -12.339 -2.154 1.00 0.25 C ATOM 1099 CE LYS A 97 7.131 -13.236 -3.351 1.00 0.38 C ATOM 1100 NZ LYS A 97 5.955 -14.122 -3.131 1.00 1.43 N ATOM 0 H LYS A 97 9.446 -11.574 2.273 1.00 0.18 H new ATOM 0 HA LYS A 97 10.036 -12.187 -0.499 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.076 -12.917 1.193 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.293 -11.540 0.444 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.505 -13.859 -1.104 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.814 -13.751 -0.656 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.563 -11.683 -1.979 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.270 -11.699 -2.371 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.957 -12.618 -4.232 1.00 0.38 H new ATOM 0 HE3 LYS A 97 8.009 -13.847 -3.560 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 6.252 -15.116 -3.201 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 5.559 -13.945 -2.186 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 5.232 -13.925 -3.852 1.00 1.43 H new ATOM 1114 N PHE A 98 9.097 -9.273 0.619 1.00 0.16 N ATOM 1115 CA PHE A 98 8.983 -7.852 0.363 1.00 0.16 C ATOM 1116 C PHE A 98 10.365 -7.234 0.193 1.00 0.20 C ATOM 1117 O PHE A 98 10.579 -6.060 0.505 1.00 0.22 O ATOM 1118 CB PHE A 98 8.252 -7.175 1.517 1.00 0.15 C ATOM 1119 CG PHE A 98 6.768 -7.211 1.370 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.024 -8.290 1.816 1.00 0.13 C ATOM 1121 CD2 PHE A 98 6.117 -6.153 0.774 1.00 0.11 C ATOM 1122 CE1 PHE A 98 4.657 -8.304 1.665 1.00 0.13 C ATOM 1123 CE2 PHE A 98 4.753 -6.159 0.622 1.00 0.11 C ATOM 1124 CZ PHE A 98 4.019 -7.238 1.067 1.00 0.12 C ATOM 0 H PHE A 98 9.060 -9.513 1.610 1.00 0.16 H new ATOM 0 HA PHE A 98 8.417 -7.705 -0.557 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.531 -7.662 2.452 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.579 -6.138 1.588 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.520 -9.126 2.286 1.00 0.13 H new ATOM 0 HD2 PHE A 98 6.688 -5.307 0.421 1.00 0.11 H new ATOM 0 HE1 PHE A 98 4.084 -9.150 2.015 1.00 0.13 H new ATOM 0 HE2 PHE A 98 4.256 -5.321 0.155 1.00 0.11 H new ATOM 0 HZ PHE A 98 2.946 -7.248 0.947 1.00 0.12 H new ATOM 1134 N CYS A 99 11.308 -8.041 -0.272 1.00 0.26 N ATOM 1135 CA CYS A 99 12.669 -7.589 -0.476 1.00 0.31 C ATOM 1136 C CYS A 99 12.749 -6.719 -1.720 1.00 0.23 C ATOM 1137 O CYS A 99 13.168 -7.173 -2.786 1.00 0.27 O ATOM 1138 CB CYS A 99 13.588 -8.799 -0.633 1.00 0.45 C ATOM 1139 SG CYS A 99 15.359 -8.435 -0.544 1.00 1.20 S ATOM 0 H CYS A 99 11.149 -9.019 -0.516 1.00 0.26 H new ATOM 0 HA CYS A 99 12.984 -7.001 0.386 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.343 -9.525 0.142 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.378 -9.273 -1.592 1.00 0.45 H new ATOM 0 HG CYS A 99 15.533 -7.239 -0.065 1.00 1.20 H new ATOM 1145 N MET A 100 12.332 -5.476 -1.586 1.00 0.19 N ATOM 1146 CA MET A 100 12.452 -4.525 -2.667 1.00 0.16 C ATOM 1147 C MET A 100 13.191 -3.290 -2.229 1.00 0.17 C ATOM 1148 O MET A 100 12.937 -2.742 -1.158 1.00 0.20 O ATOM 1149 CB MET A 100 11.087 -4.074 -3.199 1.00 0.22 C ATOM 1150 CG MET A 100 10.341 -5.107 -4.019 1.00 0.22 C ATOM 1151 SD MET A 100 9.472 -6.300 -2.991 1.00 0.13 S ATOM 1152 CE MET A 100 8.354 -5.215 -2.103 1.00 0.18 C ATOM 0 H MET A 100 11.907 -5.103 -0.737 1.00 0.19 H new ATOM 0 HA MET A 100 13.000 -5.044 -3.453 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.463 -3.785 -2.353 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.229 -3.182 -3.810 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.626 -4.603 -4.670 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.045 -5.632 -4.665 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.657 -5.156 -1.058 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.385 -4.220 -2.546 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.339 -5.609 -2.165 1.00 0.18 H new ATOM 1162 N SER A 101 14.105 -2.862 -3.065 1.00 0.16 N ATOM 1163 CA SER A 101 14.534 -1.495 -3.043 1.00 0.18 C ATOM 1164 C SER A 101 13.456 -0.743 -3.812 1.00 0.14 C ATOM 1165 O SER A 101 12.675 -1.382 -4.501 1.00 0.15 O ATOM 1166 CB SER A 101 15.914 -1.347 -3.693 1.00 0.24 C ATOM 1167 OG SER A 101 16.436 -0.042 -3.527 1.00 1.26 O ATOM 0 H SER A 101 14.563 -3.444 -3.767 1.00 0.16 H new ATOM 0 HA SER A 101 14.648 -1.106 -2.031 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.601 -2.072 -3.256 1.00 0.24 H new ATOM 0 HB3 SER A 101 15.842 -1.577 -4.756 1.00 0.24 H new ATOM 0 HG SER A 101 15.770 0.523 -3.082 1.00 1.26 H new ATOM 1173 N GLY A 102 13.357 0.559 -3.674 1.00 0.13 N ATOM 1174 CA GLY A 102 12.294 1.290 -4.331 1.00 0.14 C ATOM 1175 C GLY A 102 12.169 0.989 -5.816 1.00 0.14 C ATOM 1176 O GLY A 102 11.057 0.860 -6.337 1.00 0.16 O ATOM 0 H GLY A 102 13.993 1.131 -3.118 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.349 1.056 -3.842 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.465 2.358 -4.200 1.00 0.14 H new ATOM 1180 N ALA A 103 13.299 0.870 -6.503 1.00 0.17 N ATOM 1181 CA ALA A 103 13.290 0.536 -7.920 1.00 0.21 C ATOM 1182 C ALA A 103 12.665 -0.836 -8.135 1.00 0.21 C ATOM 1183 O ALA A 103 11.973 -1.074 -9.126 1.00 0.25 O ATOM 1184 CB ALA A 103 14.702 0.570 -8.480 1.00 0.26 C ATOM 0 H ALA A 103 14.228 0.999 -6.103 1.00 0.17 H new ATOM 0 HA ALA A 103 12.691 1.277 -8.449 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.679 0.318 -9.540 1.00 0.26 H new ATOM 0 HB2 ALA A 103 15.120 1.569 -8.353 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.322 -0.153 -7.949 1.00 0.26 H new ATOM 1190 N ALA A 104 12.924 -1.733 -7.198 1.00 0.19 N ATOM 1191 CA ALA A 104 12.329 -3.055 -7.206 1.00 0.20 C ATOM 1192 C ALA A 104 10.857 -2.968 -6.827 1.00 0.16 C ATOM 1193 O ALA A 104 10.018 -3.625 -7.444 1.00 0.17 O ATOM 1194 CB ALA A 104 13.072 -3.978 -6.254 1.00 0.22 C ATOM 0 H ALA A 104 13.552 -1.564 -6.412 1.00 0.19 H new ATOM 0 HA ALA A 104 12.406 -3.468 -8.212 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.612 -4.966 -6.272 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.114 -4.057 -6.563 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.023 -3.574 -5.243 1.00 0.22 H new ATOM 1200 N LEU A 105 10.548 -2.169 -5.796 1.00 0.12 N ATOM 1201 CA LEU A 105 9.173 -1.911 -5.383 1.00 0.09 C ATOM 1202 C LEU A 105 8.294 -1.551 -6.562 1.00 0.12 C ATOM 1203 O LEU A 105 7.186 -2.029 -6.710 1.00 0.13 O ATOM 1204 CB LEU A 105 9.138 -0.757 -4.371 1.00 0.09 C ATOM 1205 CG LEU A 105 7.763 -0.523 -3.771 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.320 -1.735 -2.976 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.753 0.708 -2.905 1.00 0.14 C ATOM 0 H LEU A 105 11.247 -1.687 -5.230 1.00 0.12 H new ATOM 0 HA LEU A 105 8.791 -2.826 -4.930 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.846 -0.966 -3.569 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.473 0.157 -4.862 1.00 0.09 H new ATOM 0 HG LEU A 105 7.059 -0.365 -4.588 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.333 -1.551 -2.552 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.277 -2.605 -3.632 1.00 0.11 H new ATOM 0 HD13 LEU A 105 8.031 -1.922 -2.171 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.756 0.852 -2.488 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.471 0.588 -2.094 1.00 0.14 H new ATOM 0 HD23 LEU A 105 8.024 1.577 -3.505 1.00 0.14 H new ATOM 1219 N CYS A 106 8.787 -0.644 -7.341 1.00 0.21 N ATOM 1220 CA CYS A 106 8.144 -0.250 -8.570 1.00 0.31 C ATOM 1221 C CYS A 106 8.107 -1.391 -9.588 1.00 0.34 C ATOM 1222 O CYS A 106 7.036 -1.755 -10.076 1.00 0.40 O ATOM 1223 CB CYS A 106 8.882 0.950 -9.142 1.00 0.39 C ATOM 1224 SG CYS A 106 8.360 1.434 -10.802 1.00 0.74 S ATOM 0 H CYS A 106 9.656 -0.146 -7.148 1.00 0.21 H new ATOM 0 HA CYS A 106 7.108 0.013 -8.354 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.745 1.798 -8.471 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.949 0.728 -9.161 1.00 0.39 H new ATOM 0 HG CYS A 106 9.362 1.969 -11.433 1.00 0.74 H new ATOM 1230 N ALA A 107 9.276 -1.946 -9.893 1.00 0.33 N ATOM 1231 CA ALA A 107 9.427 -2.942 -10.957 1.00 0.41 C ATOM 1232 C ALA A 107 8.467 -4.127 -10.855 1.00 0.38 C ATOM 1233 O ALA A 107 8.105 -4.709 -11.881 1.00 0.46 O ATOM 1234 CB ALA A 107 10.857 -3.453 -10.986 1.00 0.47 C ATOM 0 H ALA A 107 10.147 -1.720 -9.412 1.00 0.33 H new ATOM 0 HA ALA A 107 9.175 -2.425 -11.883 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.963 -4.193 -11.779 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.537 -2.622 -11.172 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.099 -3.911 -10.027 1.00 0.47 H new ATOM 1240 N LEU A 108 8.065 -4.511 -9.646 1.00 0.29 N ATOM 1241 CA LEU A 108 7.210 -5.684 -9.486 1.00 0.26 C ATOM 1242 C LEU A 108 5.861 -5.526 -10.201 1.00 0.26 C ATOM 1243 O LEU A 108 5.382 -6.461 -10.839 1.00 0.28 O ATOM 1244 CB LEU A 108 7.022 -6.053 -7.996 1.00 0.21 C ATOM 1245 CG LEU A 108 6.823 -4.898 -7.002 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.462 -4.227 -7.169 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.000 -5.413 -5.584 1.00 0.19 C ATOM 0 H LEU A 108 8.312 -4.037 -8.777 1.00 0.29 H new ATOM 0 HA LEU A 108 7.726 -6.514 -9.969 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.160 -6.716 -7.919 1.00 0.21 H new ATOM 0 HB3 LEU A 108 7.894 -6.625 -7.678 1.00 0.21 H new ATOM 0 HG LEU A 108 7.576 -4.138 -7.209 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.365 -3.417 -6.446 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.376 -3.825 -8.179 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.672 -4.959 -7.001 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.859 -4.594 -4.879 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.265 -6.193 -5.386 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.004 -5.822 -5.468 1.00 0.19 H new ATOM 1259 N GLY A 109 5.270 -4.345 -10.129 1.00 0.27 N ATOM 1260 CA GLY A 109 3.941 -4.156 -10.677 1.00 0.32 C ATOM 1261 C GLY A 109 2.890 -4.853 -9.832 1.00 0.27 C ATOM 1262 O GLY A 109 3.226 -5.664 -8.964 1.00 0.23 O ATOM 0 H GLY A 109 5.683 -3.515 -9.703 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.717 -3.091 -10.733 1.00 0.32 H new ATOM 0 HA3 GLY A 109 3.907 -4.543 -11.695 1.00 0.32 H new ATOM 1266 N LYS A 110 1.626 -4.522 -10.067 1.00 0.33 N ATOM 1267 CA LYS A 110 0.518 -5.116 -9.325 1.00 0.36 C ATOM 1268 C LYS A 110 0.642 -6.643 -9.266 1.00 0.26 C ATOM 1269 O LYS A 110 0.643 -7.217 -8.182 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.838 -4.676 -9.939 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.718 -5.807 -10.467 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.475 -6.517 -9.363 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.566 -8.022 -9.617 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.345 -8.345 -10.839 1.00 0.67 N ATOM 0 H LYS A 110 1.341 -3.841 -10.770 1.00 0.33 H new ATOM 0 HA LYS A 110 0.558 -4.753 -8.298 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.398 -4.126 -9.183 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.639 -3.982 -10.756 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.428 -5.404 -11.189 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.097 -6.528 -10.999 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.979 -6.338 -8.409 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.479 -6.100 -9.284 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.561 -8.433 -9.711 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -3.029 -8.505 -8.756 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.378 -9.377 -10.967 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.313 -7.978 -10.741 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -2.891 -7.907 -11.666 1.00 0.67 H new ATOM 1288 N GLU A 111 0.760 -7.295 -10.425 1.00 0.25 N ATOM 1289 CA GLU A 111 0.733 -8.756 -10.484 1.00 0.31 C ATOM 1290 C GLU A 111 1.761 -9.394 -9.557 1.00 0.27 C ATOM 1291 O GLU A 111 1.422 -10.279 -8.775 1.00 0.39 O ATOM 1292 CB GLU A 111 0.912 -9.246 -11.927 1.00 0.48 C ATOM 1293 CG GLU A 111 2.065 -8.601 -12.674 1.00 1.39 C ATOM 1294 CD GLU A 111 2.130 -9.051 -14.118 1.00 1.95 C ATOM 1295 OE1 GLU A 111 1.259 -8.645 -14.911 1.00 2.54 O ATOM 1296 OE2 GLU A 111 3.051 -9.818 -14.463 1.00 2.46 O ATOM 0 H GLU A 111 0.874 -6.837 -11.329 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.248 -9.072 -10.130 1.00 0.31 H new ATOM 0 HB2 GLU A 111 1.063 -10.325 -11.914 1.00 0.48 H new ATOM 0 HB3 GLU A 111 -0.010 -9.059 -12.477 1.00 0.48 H new ATOM 0 HG2 GLU A 111 1.959 -7.517 -12.637 1.00 1.39 H new ATOM 0 HG3 GLU A 111 3.003 -8.847 -12.175 1.00 1.39 H new ATOM 1303 N CYS A 112 2.991 -8.914 -9.607 1.00 0.21 N ATOM 1304 CA CYS A 112 4.049 -9.486 -8.797 1.00 0.18 C ATOM 1305 C CYS A 112 3.862 -9.120 -7.333 1.00 0.15 C ATOM 1306 O CYS A 112 3.990 -9.974 -6.465 1.00 0.17 O ATOM 1307 CB CYS A 112 5.423 -9.043 -9.301 1.00 0.21 C ATOM 1308 SG CYS A 112 5.753 -9.505 -11.017 1.00 1.36 S ATOM 0 H CYS A 112 3.280 -8.134 -10.197 1.00 0.21 H new ATOM 0 HA CYS A 112 3.995 -10.571 -8.884 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.504 -7.960 -9.204 1.00 0.21 H new ATOM 0 HB3 CYS A 112 6.192 -9.479 -8.663 1.00 0.21 H new ATOM 0 HG CYS A 112 5.751 -8.439 -11.761 1.00 1.36 H new ATOM 1314 N PHE A 113 3.551 -7.855 -7.056 1.00 0.13 N ATOM 1315 CA PHE A 113 3.314 -7.420 -5.686 1.00 0.12 C ATOM 1316 C PHE A 113 2.226 -8.268 -5.011 1.00 0.13 C ATOM 1317 O PHE A 113 2.352 -8.648 -3.850 1.00 0.14 O ATOM 1318 CB PHE A 113 2.920 -5.935 -5.647 1.00 0.12 C ATOM 1319 CG PHE A 113 3.211 -5.283 -4.323 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.460 -5.619 -3.216 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.255 -4.369 -4.170 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.726 -5.066 -1.986 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.527 -3.822 -2.936 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.762 -4.170 -1.844 1.00 0.10 C ATOM 0 H PHE A 113 3.458 -7.120 -7.758 1.00 0.13 H new ATOM 0 HA PHE A 113 4.245 -7.554 -5.134 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.455 -5.402 -6.433 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.856 -5.841 -5.866 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.651 -6.327 -3.317 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.853 -4.089 -5.025 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.123 -5.334 -1.131 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.340 -3.120 -2.824 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.975 -3.740 -0.876 1.00 0.10 H new ATOM 1334 N LEU A 114 1.149 -8.554 -5.719 1.00 0.14 N ATOM 1335 CA LEU A 114 0.057 -9.316 -5.112 1.00 0.17 C ATOM 1336 C LEU A 114 0.377 -10.801 -5.075 1.00 0.22 C ATOM 1337 O LEU A 114 -0.285 -11.569 -4.384 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.279 -9.085 -5.806 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.544 -7.666 -6.309 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.031 -7.409 -6.378 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.886 -6.604 -5.454 1.00 0.50 C ATOM 0 H LEU A 114 1.001 -8.282 -6.691 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.039 -8.948 -4.091 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.347 -9.767 -6.654 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.076 -9.357 -5.114 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.103 -7.600 -7.303 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.209 -6.395 -6.737 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.492 -8.122 -7.061 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.466 -7.524 -5.385 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.110 -5.618 -5.861 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.266 -6.670 -4.435 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.193 -6.758 -5.449 1.00 0.50 H new ATOM 1353 N GLU A 115 1.350 -11.220 -5.868 1.00 0.22 N ATOM 1354 CA GLU A 115 1.906 -12.552 -5.717 1.00 0.28 C ATOM 1355 C GLU A 115 2.932 -12.542 -4.595 1.00 0.27 C ATOM 1356 O GLU A 115 3.383 -13.582 -4.109 1.00 0.37 O ATOM 1357 CB GLU A 115 2.579 -13.019 -7.000 1.00 0.37 C ATOM 1358 CG GLU A 115 1.616 -13.235 -8.151 1.00 0.48 C ATOM 1359 CD GLU A 115 2.313 -13.717 -9.406 1.00 1.33 C ATOM 1360 OE1 GLU A 115 2.833 -12.874 -10.162 1.00 2.21 O ATOM 1361 OE2 GLU A 115 2.328 -14.939 -9.649 1.00 1.81 O ATOM 0 H GLU A 115 1.766 -10.663 -6.614 1.00 0.22 H new ATOM 0 HA GLU A 115 1.091 -13.238 -5.485 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.326 -12.283 -7.296 1.00 0.37 H new ATOM 0 HB3 GLU A 115 3.110 -13.950 -6.803 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.860 -13.963 -7.857 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.094 -12.302 -8.364 1.00 0.48 H new ATOM 1368 N LEU A 116 3.288 -11.335 -4.201 1.00 0.20 N ATOM 1369 CA LEU A 116 4.337 -11.090 -3.236 1.00 0.19 C ATOM 1370 C LEU A 116 3.776 -11.028 -1.811 1.00 0.22 C ATOM 1371 O LEU A 116 4.481 -11.306 -0.842 1.00 0.26 O ATOM 1372 CB LEU A 116 5.057 -9.802 -3.651 1.00 0.15 C ATOM 1373 CG LEU A 116 5.691 -8.975 -2.544 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.025 -8.429 -3.003 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.778 -7.836 -2.154 1.00 0.16 C ATOM 0 H LEU A 116 2.848 -10.484 -4.550 1.00 0.20 H new ATOM 0 HA LEU A 116 5.054 -11.911 -3.226 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.837 -10.066 -4.365 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.342 -9.170 -4.178 1.00 0.15 H new ATOM 0 HG LEU A 116 5.847 -9.616 -1.676 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.471 -7.838 -2.203 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.689 -9.256 -3.257 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.878 -7.799 -3.880 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.244 -7.252 -1.360 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.603 -7.197 -3.020 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.828 -8.236 -1.800 1.00 0.16 H new ATOM 1387 N ALA A 117 2.502 -10.690 -1.702 1.00 0.21 N ATOM 1388 CA ALA A 117 1.795 -10.714 -0.425 1.00 0.22 C ATOM 1389 C ALA A 117 0.420 -11.336 -0.622 1.00 0.23 C ATOM 1390 O ALA A 117 0.062 -11.654 -1.750 1.00 0.26 O ATOM 1391 CB ALA A 117 1.661 -9.303 0.142 1.00 0.22 C ATOM 0 H ALA A 117 1.928 -10.392 -2.490 1.00 0.21 H new ATOM 0 HA ALA A 117 2.365 -11.312 0.286 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.131 -9.342 1.094 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.652 -8.877 0.296 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.103 -8.681 -0.558 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.366 -11.547 0.451 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.770 -11.925 0.305 1.00 0.25 C ATOM 1399 C PRO A 118 -2.487 -11.002 -0.676 1.00 0.22 C ATOM 1400 O PRO A 118 -2.253 -9.796 -0.688 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.325 -11.748 1.712 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.162 -11.999 2.606 1.00 0.32 C ATOM 1403 CD PRO A 118 0.045 -11.486 1.868 1.00 0.29 C ATOM 0 HA PRO A 118 -1.900 -12.934 -0.087 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.728 -10.745 1.857 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -3.136 -12.449 1.910 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.284 -11.485 3.559 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -1.062 -13.062 2.827 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.298 -10.469 2.169 1.00 0.29 H new ATOM 0 HD3 PRO A 118 0.924 -12.102 2.058 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.339 -11.587 -1.501 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.993 -10.880 -2.609 1.00 0.32 C ATOM 1413 C ASP A 119 -4.700 -9.585 -2.192 1.00 0.31 C ATOM 1414 O ASP A 119 -4.907 -8.709 -3.030 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.990 -11.801 -3.324 1.00 0.41 C ATOM 1416 CG ASP A 119 -6.188 -12.160 -2.467 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.084 -13.106 -1.658 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -7.242 -11.499 -2.595 1.00 1.26 O ATOM 0 H ASP A 119 -3.603 -12.569 -1.428 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.189 -10.593 -3.287 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.336 -11.314 -4.236 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.479 -12.716 -3.625 1.00 0.41 H new ATOM 1423 N PHE A 120 -5.079 -9.447 -0.922 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.712 -8.218 -0.466 1.00 0.32 C ATOM 1425 C PHE A 120 -4.645 -7.260 0.019 1.00 0.22 C ATOM 1426 O PHE A 120 -4.683 -6.071 -0.261 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.745 -8.499 0.634 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.458 -7.281 1.161 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.825 -6.240 0.319 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.769 -7.189 2.508 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.487 -5.135 0.816 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.430 -6.085 3.009 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.788 -5.057 2.163 1.00 1.86 C ATOM 0 H PHE A 120 -4.960 -10.161 -0.203 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.249 -7.764 -1.299 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.487 -9.197 0.246 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.244 -8.996 1.464 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.591 -6.295 -0.734 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.491 -7.991 3.175 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.770 -4.331 0.152 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.666 -6.027 4.061 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.303 -4.191 2.552 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.670 -7.817 0.708 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.597 -7.062 1.314 1.00 0.17 C ATOM 1445 C VAL A 121 -1.650 -6.517 0.273 1.00 0.15 C ATOM 1446 O VAL A 121 -1.205 -5.373 0.366 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.837 -7.962 2.283 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.662 -7.232 2.908 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.813 -8.465 3.319 1.00 0.22 C ATOM 0 H VAL A 121 -3.602 -8.823 0.864 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.029 -6.215 1.848 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.410 -8.812 1.750 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.141 -7.901 3.593 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.024 -6.909 2.125 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.024 -6.361 3.455 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.293 -9.112 4.025 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.245 -7.619 3.853 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.607 -9.028 2.828 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.333 -7.344 -0.709 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.530 -6.895 -1.809 1.00 0.19 C ATOM 1461 C GLY A 122 -1.167 -5.717 -2.496 1.00 0.16 C ATOM 1462 O GLY A 122 -0.492 -4.756 -2.805 1.00 0.14 O ATOM 0 H GLY A 122 -1.622 -8.321 -0.758 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.462 -6.619 -1.451 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.397 -7.708 -2.522 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.479 -5.786 -2.719 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.202 -4.721 -3.408 1.00 0.19 C ATOM 1468 C ASP A 123 -3.415 -3.544 -2.464 1.00 0.13 C ATOM 1469 O ASP A 123 -3.403 -2.399 -2.885 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.536 -5.244 -3.959 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.311 -4.206 -4.757 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.052 -4.064 -5.973 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.207 -3.554 -4.184 1.00 1.07 O ATOM 0 H ASP A 123 -3.063 -6.571 -2.431 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.608 -4.377 -4.255 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.344 -6.109 -4.593 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.153 -5.588 -3.129 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.628 -3.839 -1.183 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.606 -2.815 -0.139 1.00 0.10 C ATOM 1480 C ILE A 124 -2.326 -2.000 -0.225 1.00 0.09 C ATOM 1481 O ILE A 124 -2.354 -0.787 -0.461 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.745 -3.447 1.273 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.214 -3.713 1.586 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.130 -2.558 2.356 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.417 -4.492 2.867 1.00 0.22 C ATOM 0 H ILE A 124 -3.818 -4.781 -0.842 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.459 -2.155 -0.299 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.198 -4.390 1.269 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.742 -2.762 1.659 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.662 -4.263 0.758 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.248 -3.035 3.329 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.070 -2.413 2.149 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.634 -1.591 2.363 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.483 -4.648 3.033 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.917 -5.457 2.789 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -4.998 -3.933 3.703 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.209 -2.669 -0.044 1.00 0.08 N ATOM 1498 CA LEU A 125 0.078 -2.043 -0.188 1.00 0.08 C ATOM 1499 C LEU A 125 0.263 -1.478 -1.584 1.00 0.09 C ATOM 1500 O LEU A 125 0.737 -0.365 -1.734 1.00 0.10 O ATOM 1501 CB LEU A 125 1.164 -3.045 0.153 1.00 0.08 C ATOM 1502 CG LEU A 125 1.578 -3.019 1.611 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.448 -4.214 1.939 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.314 -1.724 1.898 1.00 0.09 C ATOM 0 H LEU A 125 -1.171 -3.657 0.206 1.00 0.08 H new ATOM 0 HA LEU A 125 0.144 -1.203 0.503 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.815 -4.046 -0.099 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.038 -2.846 -0.468 1.00 0.08 H new ATOM 0 HG LEU A 125 0.689 -3.072 2.239 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.735 -4.178 2.990 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.893 -5.132 1.746 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.343 -4.194 1.318 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.614 -1.700 2.946 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.199 -1.661 1.266 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.658 -0.879 1.689 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.163 -2.219 -2.593 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.024 -1.772 -3.970 1.00 0.10 C ATOM 1518 C TRP A 126 -0.803 -0.482 -4.205 1.00 0.11 C ATOM 1519 O TRP A 126 -0.337 0.398 -4.926 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.472 -2.843 -4.969 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.505 -2.318 -6.362 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.609 -2.055 -7.107 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.623 -1.949 -7.156 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.237 -1.517 -8.318 1.00 0.25 N ATOM 1525 CE2 TRP A 126 0.131 -1.449 -8.372 1.00 0.21 C ATOM 1526 CE3 TRP A 126 2.002 -1.989 -6.953 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.974 -0.987 -9.379 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.838 -1.534 -7.955 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.320 -1.036 -9.153 1.00 0.25 C ATOM 0 H TRP A 126 -0.607 -3.131 -2.486 1.00 0.09 H new ATOM 0 HA TRP A 126 1.036 -1.582 -4.136 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.206 -3.695 -4.917 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.462 -3.206 -4.693 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.627 -2.240 -6.796 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -1.875 -1.218 -9.055 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.410 -2.369 -6.028 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.577 -0.603 -10.307 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.908 -1.564 -7.810 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.998 -0.683 -9.916 1.00 0.25 H new ATOM 1540 N GLU A 127 -1.984 -0.365 -3.608 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.738 0.873 -3.685 1.00 0.12 C ATOM 1542 C GLU A 127 -1.912 2.010 -3.151 1.00 0.12 C ATOM 1543 O GLU A 127 -1.665 2.961 -3.863 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.063 0.797 -2.932 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.262 0.622 -3.845 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.563 1.837 -4.703 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.705 2.201 -5.535 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.633 2.455 -4.527 1.00 1.43 O ATOM 0 H GLU A 127 -2.434 -1.107 -3.071 1.00 0.11 H new ATOM 0 HA GLU A 127 -2.972 1.044 -4.736 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.026 -0.035 -2.228 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.192 1.706 -2.344 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.090 -0.236 -4.495 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.138 0.392 -3.238 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.455 1.918 -1.909 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.621 2.984 -1.384 1.00 0.11 C ATOM 1557 C HIS A 128 0.640 3.118 -2.214 1.00 0.10 C ATOM 1558 O HIS A 128 1.103 4.224 -2.414 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.258 2.803 0.090 1.00 0.11 C ATOM 1560 CG HIS A 128 0.216 4.089 0.721 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.732 4.175 1.999 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.217 5.356 0.235 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.023 5.442 2.269 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.722 6.173 1.214 1.00 0.15 N ATOM 0 H HIS A 128 -1.640 1.146 -1.269 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.212 3.897 -1.450 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.127 2.432 0.634 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.522 2.047 0.180 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.119 5.665 -0.744 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.436 5.811 3.196 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.845 7.183 1.138 1.00 0.15 H new ATOM 1573 N LEU A 129 1.180 2.007 -2.705 1.00 0.10 N ATOM 1574 CA LEU A 129 2.329 2.046 -3.589 1.00 0.12 C ATOM 1575 C LEU A 129 2.022 2.958 -4.740 1.00 0.15 C ATOM 1576 O LEU A 129 2.812 3.837 -5.095 1.00 0.18 O ATOM 1577 CB LEU A 129 2.668 0.637 -4.102 1.00 0.11 C ATOM 1578 CG LEU A 129 3.869 0.540 -5.045 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.903 1.580 -4.685 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.493 -0.837 -4.951 1.00 0.13 C ATOM 0 H LEU A 129 0.836 1.068 -2.502 1.00 0.10 H new ATOM 0 HA LEU A 129 3.194 2.420 -3.041 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.853 -0.007 -3.242 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.794 0.239 -4.616 1.00 0.11 H new ATOM 0 HG LEU A 129 3.523 0.714 -6.064 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.752 1.499 -5.364 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.464 2.574 -4.769 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.241 1.418 -3.661 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.347 -0.896 -5.626 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.825 -1.017 -3.929 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.756 -1.590 -5.231 1.00 0.13 H new ATOM 1592 N GLU A 130 0.854 2.759 -5.296 1.00 0.17 N ATOM 1593 CA GLU A 130 0.416 3.580 -6.368 1.00 0.23 C ATOM 1594 C GLU A 130 0.154 4.990 -5.856 1.00 0.25 C ATOM 1595 O GLU A 130 0.660 5.952 -6.406 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.815 2.974 -7.057 1.00 0.27 C ATOM 1597 CG GLU A 130 -0.888 3.318 -8.535 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.040 2.652 -9.251 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -1.937 1.450 -9.561 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -3.068 3.319 -9.474 1.00 1.73 O ATOM 0 H GLU A 130 0.197 2.031 -5.015 1.00 0.17 H new ATOM 0 HA GLU A 130 1.199 3.635 -7.124 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.795 1.890 -6.941 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.717 3.331 -6.560 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -0.978 4.399 -8.645 1.00 0.69 H new ATOM 0 HG3 GLU A 130 0.046 3.026 -9.015 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.590 5.093 -4.773 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.944 6.376 -4.165 1.00 0.21 C ATOM 1609 C ILE A 131 0.293 7.263 -3.924 1.00 0.22 C ATOM 1610 O ILE A 131 0.245 8.470 -4.156 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.698 6.147 -2.840 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.213 6.003 -3.056 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.453 7.297 -1.877 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.629 5.050 -4.154 1.00 0.23 C ATOM 0 H ILE A 131 -0.973 4.286 -4.280 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.593 6.901 -4.866 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.314 5.217 -2.420 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.665 5.672 -2.121 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.625 6.987 -3.278 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.994 7.116 -0.948 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.386 7.374 -1.666 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.803 8.227 -2.325 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.717 5.024 -4.221 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.215 5.387 -5.104 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.256 4.051 -3.929 1.00 0.23 H new ATOM 1626 N LEU A 132 1.393 6.659 -3.460 1.00 0.18 N ATOM 1627 CA LEU A 132 2.647 7.395 -3.248 1.00 0.20 C ATOM 1628 C LEU A 132 3.046 8.094 -4.529 1.00 0.25 C ATOM 1629 O LEU A 132 3.525 9.227 -4.527 1.00 0.29 O ATOM 1630 CB LEU A 132 3.797 6.461 -2.863 1.00 0.21 C ATOM 1631 CG LEU A 132 3.490 5.421 -1.801 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.357 4.198 -2.029 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.727 5.963 -0.392 1.00 0.25 C ATOM 0 H LEU A 132 1.442 5.668 -3.225 1.00 0.18 H new ATOM 0 HA LEU A 132 2.470 8.104 -2.440 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.134 5.944 -3.762 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.631 7.070 -2.515 1.00 0.21 H new ATOM 0 HG LEU A 132 2.436 5.156 -1.883 1.00 0.21 H new ATOM 0 HD11 LEU A 132 4.138 3.450 -1.267 1.00 0.23 H new ATOM 0 HD12 LEU A 132 4.149 3.783 -3.015 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.408 4.481 -1.968 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.496 5.189 0.339 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.770 6.261 -0.288 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.084 6.826 -0.221 1.00 0.25 H new ATOM 1645 N GLN A 133 2.815 7.399 -5.629 1.00 0.28 N ATOM 1646 CA GLN A 133 3.209 7.895 -6.921 1.00 0.38 C ATOM 1647 C GLN A 133 2.119 8.813 -7.464 1.00 0.37 C ATOM 1648 O GLN A 133 2.407 9.680 -8.281 1.00 0.47 O ATOM 1649 CB GLN A 133 3.563 6.738 -7.882 1.00 0.58 C ATOM 1650 CG GLN A 133 2.391 6.121 -8.629 1.00 0.79 C ATOM 1651 CD GLN A 133 2.518 4.611 -8.806 1.00 0.65 C ATOM 1652 OE1 GLN A 133 2.062 4.052 -9.803 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.119 3.932 -7.830 1.00 0.31 N ATOM 0 H GLN A 133 2.355 6.489 -5.646 1.00 0.28 H new ATOM 0 HA GLN A 133 4.120 8.485 -6.825 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.284 7.105 -8.613 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.059 5.954 -7.310 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.469 6.341 -8.090 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.307 6.589 -9.610 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.486 4.426 -7.017 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.212 2.918 -7.896 1.00 0.31 H new