USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 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 92:sc= 0.355 USER MOD Set 1.2: A 128 HIS : no HD1:sc= -2.65 X(o=-2.3,f=-2.2) USER MOD Set 2.1: A 73 THR OG1 : rot -77:sc= 0.109 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -0.109 X(o=0.00072,f=-0.062) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -153:sc= -7.86! (180deg=-10!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.76) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0536 (180deg=-0.278) USER MOD Single : A 52 THR OG1 : rot 128:sc= 1.3 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 :FLIP amide:sc= -7.82! C(o=-10!,f=-7.8!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -10.5! C(o=-12!,f=-10!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -159:sc= -0.351 (180deg=-1.36) USER MOD Single : A 86 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= -0.0126 (180deg=-0.147) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.507 F(o=-1,f=-0.51) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.0352 (180deg=-0.213) USER MOD Single : A 99 CYS SG : rot -45:sc= 1.21 USER MOD Single : A 100 MET CE :methyl -111:sc= -0.884 (180deg=-2.26!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -160:sc= -0.603 USER MOD Single : A 110 LYS NZ :NH3+ -112:sc= 0.0207 (180deg=-0.00489) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1.37! K(o=-1.4!,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.184 -2.009 2.299 1.00 0.41 N ATOM 224 CA MET A 44 -12.404 -1.881 3.522 1.00 0.41 C ATOM 225 C MET A 44 -11.212 -0.955 3.304 1.00 0.31 C ATOM 226 O MET A 44 -11.062 0.031 4.008 1.00 0.28 O ATOM 227 CB MET A 44 -11.926 -3.250 4.011 1.00 0.50 C ATOM 228 CG MET A 44 -13.060 -4.147 4.471 1.00 0.82 C ATOM 229 SD MET A 44 -14.024 -3.400 5.800 1.00 1.59 S ATOM 230 CE MET A 44 -15.364 -4.579 5.949 1.00 1.62 C ATOM 0 HA MET A 44 -13.048 -1.448 4.287 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.381 -3.746 3.208 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.224 -3.111 4.833 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.715 -4.364 3.627 1.00 0.82 H new ATOM 0 HG3 MET A 44 -12.653 -5.099 4.811 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.048 -4.255 6.734 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.901 -4.641 5.003 1.00 1.62 H new ATOM 0 HE3 MET A 44 -14.960 -5.559 6.202 1.00 1.62 H new ATOM 240 N MET A 45 -10.369 -1.267 2.323 1.00 0.28 N ATOM 241 CA MET A 45 -9.227 -0.406 2.009 1.00 0.22 C ATOM 242 C MET A 45 -9.687 0.926 1.431 1.00 0.20 C ATOM 243 O MET A 45 -9.041 1.945 1.624 1.00 0.20 O ATOM 244 CB MET A 45 -8.258 -1.078 1.032 1.00 0.24 C ATOM 245 CG MET A 45 -8.784 -1.167 -0.390 1.00 0.32 C ATOM 246 SD MET A 45 -7.908 -2.367 -1.396 1.00 0.98 S ATOM 247 CE MET A 45 -6.277 -1.649 -1.419 1.00 0.22 C ATOM 0 H MET A 45 -10.451 -2.098 1.737 1.00 0.28 H new ATOM 0 HA MET A 45 -8.702 -0.228 2.948 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.319 -0.525 1.028 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.034 -2.083 1.390 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.842 -1.429 -0.363 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.710 -0.186 -0.860 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.758 -1.954 -2.328 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.357 -0.562 -1.395 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.717 -1.991 -0.549 1.00 0.22 H new ATOM 257 N SER A 46 -10.784 0.917 0.700 1.00 0.24 N ATOM 258 CA SER A 46 -11.328 2.145 0.156 1.00 0.30 C ATOM 259 C SER A 46 -11.608 3.142 1.280 1.00 0.27 C ATOM 260 O SER A 46 -11.210 4.306 1.200 1.00 0.30 O ATOM 261 CB SER A 46 -12.588 1.846 -0.653 1.00 0.39 C ATOM 262 OG SER A 46 -13.063 3.001 -1.326 1.00 0.53 O ATOM 0 H SER A 46 -11.314 0.077 0.470 1.00 0.24 H new ATOM 0 HA SER A 46 -10.597 2.596 -0.515 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.377 1.062 -1.380 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.365 1.465 0.010 1.00 0.39 H new ATOM 0 HG SER A 46 -13.869 2.775 -1.835 1.00 0.53 H new ATOM 268 N GLN A 47 -12.281 2.692 2.329 1.00 0.25 N ATOM 269 CA GLN A 47 -12.489 3.543 3.489 1.00 0.27 C ATOM 270 C GLN A 47 -11.219 3.664 4.341 1.00 0.24 C ATOM 271 O GLN A 47 -10.786 4.771 4.638 1.00 0.29 O ATOM 272 CB GLN A 47 -13.686 3.080 4.335 1.00 0.30 C ATOM 273 CG GLN A 47 -13.591 1.652 4.845 1.00 0.33 C ATOM 274 CD GLN A 47 -14.765 1.269 5.723 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.336 2.107 6.418 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.135 -0.001 5.699 1.00 1.11 N ATOM 0 H GLN A 47 -12.686 1.759 2.401 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.726 4.537 3.110 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.790 3.750 5.189 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.594 3.179 3.740 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.538 0.970 3.997 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.666 1.532 5.409 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.636 -0.667 5.109 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.919 -0.315 6.271 1.00 1.11 H new ATOM 285 N ALA A 48 -10.612 2.535 4.710 1.00 0.21 N ATOM 286 CA ALA A 48 -9.479 2.543 5.632 1.00 0.22 C ATOM 287 C ALA A 48 -8.209 3.076 4.989 1.00 0.20 C ATOM 288 O ALA A 48 -7.625 4.027 5.493 1.00 0.22 O ATOM 289 CB ALA A 48 -9.221 1.152 6.193 1.00 0.24 C ATOM 0 H ALA A 48 -10.886 1.608 4.385 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.751 3.217 6.444 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.372 1.187 6.876 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.105 0.806 6.729 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.001 0.465 5.376 1.00 0.24 H new ATOM 295 N LEU A 49 -7.797 2.505 3.859 1.00 0.18 N ATOM 296 CA LEU A 49 -6.504 2.830 3.268 1.00 0.18 C ATOM 297 C LEU A 49 -6.495 4.235 2.724 1.00 0.19 C ATOM 298 O LEU A 49 -5.647 5.049 3.079 1.00 0.21 O ATOM 299 CB LEU A 49 -6.177 1.890 2.107 1.00 0.23 C ATOM 300 CG LEU A 49 -4.988 0.969 2.319 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.642 0.307 1.009 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.785 1.717 2.879 1.00 0.58 C ATOM 0 H LEU A 49 -8.339 1.817 3.337 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.764 2.725 4.061 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.055 1.278 1.901 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.993 2.492 1.217 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.260 0.212 3.055 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.789 -0.357 1.151 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.496 -0.271 0.656 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.390 1.069 0.272 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -2.956 1.022 3.016 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.489 2.503 2.184 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.048 2.162 3.839 1.00 0.58 H new ATOM 314 N LYS A 50 -7.436 4.501 1.840 1.00 0.19 N ATOM 315 CA LYS A 50 -7.457 5.752 1.118 1.00 0.21 C ATOM 316 C LYS A 50 -7.564 6.936 2.082 1.00 0.23 C ATOM 317 O LYS A 50 -7.094 8.036 1.792 1.00 0.27 O ATOM 318 CB LYS A 50 -8.599 5.747 0.102 1.00 0.22 C ATOM 319 CG LYS A 50 -8.656 4.465 -0.726 1.00 0.20 C ATOM 320 CD LYS A 50 -7.364 4.222 -1.512 1.00 0.21 C ATOM 321 CE LYS A 50 -7.151 5.274 -2.590 1.00 0.24 C ATOM 322 NZ LYS A 50 -8.253 5.282 -3.589 1.00 0.55 N ATOM 0 H LYS A 50 -8.197 3.864 1.606 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.519 5.864 0.574 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.545 5.876 0.627 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.486 6.600 -0.567 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.842 3.617 -0.067 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.495 4.520 -1.419 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.516 4.227 -0.827 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.398 3.234 -1.971 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.075 6.258 -2.126 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.204 5.087 -3.097 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.956 5.819 -4.429 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -8.479 4.305 -3.865 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -9.095 5.728 -3.173 1.00 0.55 H new ATOM 336 N ALA A 51 -8.190 6.696 3.227 1.00 0.22 N ATOM 337 CA ALA A 51 -8.266 7.692 4.284 1.00 0.23 C ATOM 338 C ALA A 51 -6.970 7.758 5.095 1.00 0.23 C ATOM 339 O ALA A 51 -6.459 8.842 5.375 1.00 0.26 O ATOM 340 CB ALA A 51 -9.445 7.410 5.196 1.00 0.25 C ATOM 0 H ALA A 51 -8.654 5.815 3.446 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.409 8.663 3.810 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.486 8.165 5.981 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.368 7.438 4.617 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.329 6.424 5.646 1.00 0.25 H new ATOM 346 N THR A 52 -6.428 6.589 5.438 1.00 0.21 N ATOM 347 CA THR A 52 -5.347 6.491 6.420 1.00 0.22 C ATOM 348 C THR A 52 -4.021 7.026 5.901 1.00 0.21 C ATOM 349 O THR A 52 -3.084 7.198 6.678 1.00 0.23 O ATOM 350 CB THR A 52 -5.130 5.031 6.888 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.222 5.001 7.999 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.567 4.172 5.757 1.00 0.18 C ATOM 0 H THR A 52 -6.721 5.693 5.049 1.00 0.21 H new ATOM 0 HA THR A 52 -5.670 7.110 7.258 1.00 0.22 H new ATOM 0 HB THR A 52 -6.097 4.627 7.189 1.00 0.22 H new ATOM 0 HG1 THR A 52 -4.624 4.497 8.737 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.424 3.151 6.112 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.265 4.170 4.919 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.610 4.580 5.432 1.00 0.18 H new ATOM 360 N PHE A 53 -3.948 7.316 4.607 1.00 0.23 N ATOM 361 CA PHE A 53 -2.678 7.651 3.966 1.00 0.27 C ATOM 362 C PHE A 53 -1.910 8.735 4.711 1.00 0.32 C ATOM 363 O PHE A 53 -0.680 8.721 4.726 1.00 0.34 O ATOM 364 CB PHE A 53 -2.885 8.080 2.518 1.00 0.31 C ATOM 365 CG PHE A 53 -3.336 6.965 1.627 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.812 5.695 1.768 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.294 7.185 0.654 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.231 4.668 0.950 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.717 6.161 -0.167 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.161 4.897 -0.028 1.00 0.38 C ATOM 0 H PHE A 53 -4.752 7.326 3.980 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.081 6.740 3.992 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.623 8.882 2.486 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.952 8.490 2.131 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.067 5.505 2.526 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.716 8.172 0.536 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.823 3.677 1.081 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.476 6.342 -0.914 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.461 4.097 -0.689 1.00 0.38 H new ATOM 380 N SER A 54 -2.633 9.641 5.358 1.00 0.36 N ATOM 381 CA SER A 54 -2.019 10.736 6.100 1.00 0.44 C ATOM 382 C SER A 54 -1.038 10.212 7.153 1.00 0.39 C ATOM 383 O SER A 54 -0.104 10.910 7.548 1.00 0.46 O ATOM 384 CB SER A 54 -3.111 11.563 6.769 1.00 0.55 C ATOM 385 OG SER A 54 -3.993 10.724 7.497 1.00 1.37 O ATOM 0 H SER A 54 -3.653 9.639 5.384 1.00 0.36 H new ATOM 0 HA SER A 54 -1.458 11.358 5.402 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.661 12.296 7.439 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.668 12.119 6.015 1.00 0.55 H new ATOM 0 HG SER A 54 -4.687 11.270 7.922 1.00 1.37 H new ATOM 391 N GLY A 55 -1.266 8.984 7.608 1.00 0.31 N ATOM 392 CA GLY A 55 -0.401 8.365 8.587 1.00 0.28 C ATOM 393 C GLY A 55 1.043 8.285 8.136 1.00 0.22 C ATOM 394 O GLY A 55 1.917 8.929 8.722 1.00 0.25 O ATOM 0 H GLY A 55 -2.048 8.402 7.308 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.454 8.929 9.518 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.765 7.360 8.801 1.00 0.28 H new ATOM 398 N PHE A 56 1.306 7.501 7.098 1.00 0.15 N ATOM 399 CA PHE A 56 2.673 7.313 6.634 1.00 0.12 C ATOM 400 C PHE A 56 3.082 8.438 5.718 1.00 0.13 C ATOM 401 O PHE A 56 4.165 8.961 5.843 1.00 0.17 O ATOM 402 CB PHE A 56 2.865 5.986 5.908 1.00 0.13 C ATOM 403 CG PHE A 56 4.306 5.676 5.625 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.159 5.297 6.649 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.811 5.774 4.339 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.489 5.024 6.396 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.139 5.500 4.081 1.00 0.26 C ATOM 408 CZ PHE A 56 6.979 5.126 5.109 1.00 0.28 C ATOM 0 H PHE A 56 0.600 6.991 6.567 1.00 0.15 H new ATOM 0 HA PHE A 56 3.303 7.307 7.524 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.438 5.184 6.510 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.313 6.009 4.969 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.779 5.214 7.657 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.159 6.068 3.530 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.144 4.731 7.203 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.520 5.579 3.074 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.019 4.913 4.908 1.00 0.28 H new ATOM 418 N THR A 57 2.203 8.800 4.799 1.00 0.16 N ATOM 419 CA THR A 57 2.490 9.846 3.814 1.00 0.24 C ATOM 420 C THR A 57 3.046 11.113 4.476 1.00 0.26 C ATOM 421 O THR A 57 3.948 11.757 3.946 1.00 0.35 O ATOM 422 CB THR A 57 1.224 10.198 3.017 1.00 0.32 C ATOM 423 OG1 THR A 57 0.812 9.065 2.232 1.00 0.39 O ATOM 424 CG2 THR A 57 1.441 11.407 2.120 1.00 0.46 C ATOM 0 H THR A 57 1.276 8.385 4.709 1.00 0.16 H new ATOM 0 HA THR A 57 3.249 9.452 3.138 1.00 0.24 H new ATOM 0 HB THR A 57 0.439 10.454 3.729 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.175 8.526 2.745 1.00 0.39 H new ATOM 0 HG21 THR A 57 0.523 11.624 1.573 1.00 0.46 H new ATOM 0 HG22 THR A 57 1.712 12.269 2.730 1.00 0.46 H new ATOM 0 HG23 THR A 57 2.243 11.196 1.413 1.00 0.46 H new ATOM 432 N LYS A 58 2.546 11.432 5.665 1.00 0.24 N ATOM 433 CA LYS A 58 2.966 12.646 6.351 1.00 0.31 C ATOM 434 C LYS A 58 4.301 12.412 7.052 1.00 0.29 C ATOM 435 O LYS A 58 5.159 13.293 7.099 1.00 0.31 O ATOM 436 CB LYS A 58 1.898 13.106 7.346 1.00 0.39 C ATOM 437 CG LYS A 58 2.248 14.392 8.074 1.00 0.50 C ATOM 438 CD LYS A 58 1.043 14.950 8.809 1.00 1.34 C ATOM 439 CE LYS A 58 1.391 16.207 9.584 1.00 1.93 C ATOM 440 NZ LYS A 58 0.179 16.876 10.122 1.00 2.52 N ATOM 0 H LYS A 58 1.857 10.873 6.168 1.00 0.24 H new ATOM 0 HA LYS A 58 3.095 13.439 5.614 1.00 0.31 H new ATOM 0 HB2 LYS A 58 0.957 13.246 6.815 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.736 12.317 8.080 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.055 14.204 8.782 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.616 15.129 7.360 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.251 15.171 8.094 1.00 1.34 H new ATOM 0 HD3 LYS A 58 0.653 14.197 9.494 1.00 1.34 H new ATOM 0 HE2 LYS A 58 2.061 15.954 10.405 1.00 1.93 H new ATOM 0 HE3 LYS A 58 1.929 16.897 8.934 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 0.458 17.731 10.645 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 -0.449 17.140 9.336 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 -0.321 16.226 10.762 1.00 2.52 H new ATOM 454 N GLU A 59 4.482 11.198 7.563 1.00 0.26 N ATOM 455 CA GLU A 59 5.687 10.857 8.308 1.00 0.25 C ATOM 456 C GLU A 59 6.807 10.470 7.349 1.00 0.21 C ATOM 457 O GLU A 59 7.978 10.614 7.659 1.00 0.24 O ATOM 458 CB GLU A 59 5.424 9.724 9.309 1.00 0.31 C ATOM 459 CG GLU A 59 6.275 8.491 9.065 1.00 0.43 C ATOM 460 CD GLU A 59 6.219 7.513 10.217 1.00 0.76 C ATOM 461 OE1 GLU A 59 7.023 7.649 11.159 1.00 0.98 O ATOM 462 OE2 GLU A 59 5.375 6.593 10.184 1.00 0.97 O ATOM 0 H GLU A 59 3.810 10.436 7.474 1.00 0.26 H new ATOM 0 HA GLU A 59 5.993 11.737 8.874 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.611 10.091 10.318 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.371 9.445 9.261 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.938 7.995 8.155 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.309 8.794 8.899 1.00 0.43 H new ATOM 469 N GLN A 60 6.422 9.966 6.193 1.00 0.19 N ATOM 470 CA GLN A 60 7.351 9.611 5.138 1.00 0.19 C ATOM 471 C GLN A 60 8.136 10.847 4.750 1.00 0.22 C ATOM 472 O GLN A 60 9.363 10.844 4.711 1.00 0.23 O ATOM 473 CB GLN A 60 6.553 9.071 3.950 1.00 0.21 C ATOM 474 CG GLN A 60 7.366 8.320 2.929 1.00 0.28 C ATOM 475 CD GLN A 60 7.555 9.109 1.672 1.00 0.40 C ATOM 476 OE1 GLN A 60 7.590 8.408 0.570 1.00 0.90 O flip ATOM 477 NE2 GLN A 60 7.618 10.337 1.687 1.00 0.26 N flip ATOM 0 H GLN A 60 5.445 9.790 5.957 1.00 0.19 H new ATOM 0 HA GLN A 60 8.050 8.843 5.469 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.770 8.412 4.326 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.056 9.906 3.455 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.340 8.073 3.352 1.00 0.28 H new ATOM 0 HG3 GLN A 60 6.872 7.377 2.694 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.586 10.838 2.575 1.00 0.26 H new ATOM 0 HE22 GLN A 60 7.702 10.854 0.812 1.00 0.26 H new ATOM 486 N GLN A 61 7.397 11.919 4.525 1.00 0.28 N ATOM 487 CA GLN A 61 7.978 13.224 4.243 1.00 0.34 C ATOM 488 C GLN A 61 8.786 13.718 5.443 1.00 0.34 C ATOM 489 O GLN A 61 9.792 14.414 5.299 1.00 0.37 O ATOM 490 CB GLN A 61 6.854 14.200 3.937 1.00 0.45 C ATOM 491 CG GLN A 61 6.055 13.804 2.705 1.00 0.58 C ATOM 492 CD GLN A 61 4.795 14.623 2.518 1.00 0.77 C ATOM 493 OE1 GLN A 61 4.734 15.792 2.897 1.00 1.23 O ATOM 494 NE2 GLN A 61 3.780 14.011 1.935 1.00 1.12 N ATOM 0 H GLN A 61 6.377 11.912 4.532 1.00 0.28 H new ATOM 0 HA GLN A 61 8.649 13.148 3.388 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.185 14.259 4.796 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.272 15.196 3.790 1.00 0.45 H new ATOM 0 HG2 GLN A 61 6.685 13.913 1.822 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.787 12.750 2.778 1.00 0.58 H new ATOM 0 HE21 GLN A 61 3.873 13.040 1.636 1.00 1.12 H new ATOM 0 HE22 GLN A 61 2.903 14.509 1.784 1.00 1.12 H new ATOM 503 N ARG A 62 8.329 13.345 6.627 1.00 0.34 N ATOM 504 CA ARG A 62 8.970 13.737 7.872 1.00 0.39 C ATOM 505 C ARG A 62 10.307 13.019 8.044 1.00 0.36 C ATOM 506 O ARG A 62 11.323 13.645 8.343 1.00 0.41 O ATOM 507 CB ARG A 62 8.037 13.414 9.037 1.00 0.44 C ATOM 508 CG ARG A 62 8.579 13.782 10.415 1.00 0.58 C ATOM 509 CD ARG A 62 8.712 15.288 10.609 1.00 1.13 C ATOM 510 NE ARG A 62 9.771 15.871 9.782 1.00 1.93 N ATOM 511 CZ ARG A 62 9.808 17.150 9.407 1.00 2.74 C ATOM 512 NH1 ARG A 62 8.876 17.996 9.830 1.00 2.99 N ATOM 513 NH2 ARG A 62 10.786 17.582 8.620 1.00 3.73 N ATOM 0 H ARG A 62 7.502 12.761 6.752 1.00 0.34 H new ATOM 0 HA ARG A 62 9.169 14.809 7.850 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.093 13.936 8.883 1.00 0.44 H new ATOM 0 HB3 ARG A 62 7.817 12.347 9.022 1.00 0.44 H new ATOM 0 HG2 ARG A 62 7.918 13.378 11.181 1.00 0.58 H new ATOM 0 HG3 ARG A 62 9.553 13.314 10.555 1.00 0.58 H new ATOM 0 HD2 ARG A 62 7.763 15.767 10.368 1.00 1.13 H new ATOM 0 HD3 ARG A 62 8.918 15.499 11.658 1.00 1.13 H new ATOM 0 HE ARG A 62 10.528 15.260 9.474 1.00 1.93 H new ATOM 0 HH11 ARG A 62 8.130 17.668 10.443 1.00 2.99 H new ATOM 0 HH12 ARG A 62 8.906 18.974 9.542 1.00 2.99 H new ATOM 0 HH21 ARG A 62 11.508 16.936 8.303 1.00 3.73 H new ATOM 0 HH22 ARG A 62 10.815 18.560 8.333 1.00 3.73 H new ATOM 527 N LEU A 63 10.291 11.711 7.819 1.00 0.30 N ATOM 528 CA LEU A 63 11.476 10.868 7.934 1.00 0.32 C ATOM 529 C LEU A 63 12.428 11.101 6.781 1.00 0.31 C ATOM 530 O LEU A 63 13.428 10.396 6.631 1.00 0.37 O ATOM 531 CB LEU A 63 11.072 9.392 7.998 1.00 0.33 C ATOM 532 CG LEU A 63 10.174 9.013 9.178 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.828 7.536 9.131 1.00 1.01 C ATOM 534 CD2 LEU A 63 10.851 9.361 10.492 1.00 0.65 C ATOM 0 H LEU A 63 9.450 11.201 7.550 1.00 0.30 H new ATOM 0 HA LEU A 63 11.992 11.136 8.856 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.558 9.132 7.073 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.977 8.786 8.041 1.00 0.33 H new ATOM 0 HG LEU A 63 9.248 9.584 9.105 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.189 7.285 9.978 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.303 7.315 8.202 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.743 6.946 9.180 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.199 9.085 11.321 1.00 0.65 H new ATOM 0 HD22 LEU A 63 11.791 8.816 10.572 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.049 10.432 10.527 1.00 0.65 H new ATOM 546 N GLY A 64 12.111 12.098 5.973 1.00 0.28 N ATOM 547 CA GLY A 64 12.928 12.412 4.826 1.00 0.30 C ATOM 548 C GLY A 64 12.926 11.284 3.834 1.00 0.27 C ATOM 549 O GLY A 64 13.843 11.149 3.025 1.00 0.33 O ATOM 0 H GLY A 64 11.296 12.699 6.094 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.558 13.320 4.350 1.00 0.30 H new ATOM 0 HA3 GLY A 64 13.949 12.615 5.148 1.00 0.30 H new ATOM 553 N ILE A 65 11.895 10.456 3.907 1.00 0.22 N ATOM 554 CA ILE A 65 11.781 9.349 3.013 1.00 0.20 C ATOM 555 C ILE A 65 11.293 9.869 1.673 1.00 0.21 C ATOM 556 O ILE A 65 10.351 10.655 1.620 1.00 0.23 O ATOM 557 CB ILE A 65 10.828 8.242 3.535 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.379 7.622 4.822 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.630 7.162 2.474 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.630 6.383 5.273 1.00 0.20 C ATOM 0 H ILE A 65 11.134 10.542 4.580 1.00 0.22 H new ATOM 0 HA ILE A 65 12.763 8.885 2.921 1.00 0.20 H new ATOM 0 HB ILE A 65 9.862 8.698 3.753 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.428 7.367 4.671 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.343 8.367 5.617 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.959 6.394 2.858 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.198 7.607 1.578 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.592 6.713 2.228 1.00 0.19 H new ATOM 0 HD11 ILE A 65 11.078 6.001 6.190 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.586 6.636 5.457 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.687 5.620 4.496 1.00 0.20 H new ATOM 572 N PRO A 66 11.974 9.497 0.588 1.00 0.24 N ATOM 573 CA PRO A 66 11.563 9.865 -0.771 1.00 0.27 C ATOM 574 C PRO A 66 10.085 9.594 -1.019 1.00 0.22 C ATOM 575 O PRO A 66 9.656 8.460 -0.939 1.00 0.23 O ATOM 576 CB PRO A 66 12.377 8.901 -1.612 1.00 0.35 C ATOM 577 CG PRO A 66 13.620 8.656 -0.839 1.00 0.26 C ATOM 578 CD PRO A 66 13.220 8.710 0.604 1.00 0.31 C ATOM 0 HA PRO A 66 11.716 10.924 -0.979 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.832 7.973 -1.784 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.600 9.326 -2.591 1.00 0.35 H new ATOM 0 HG2 PRO A 66 14.052 7.687 -1.089 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.375 9.409 -1.064 1.00 0.26 H new ATOM 0 HD2 PRO A 66 13.059 7.713 1.013 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.987 9.186 1.215 1.00 0.31 H new ATOM 586 N LYS A 67 9.326 10.638 -1.338 1.00 0.25 N ATOM 587 CA LYS A 67 7.876 10.523 -1.560 1.00 0.27 C ATOM 588 C LYS A 67 7.525 9.493 -2.644 1.00 0.25 C ATOM 589 O LYS A 67 6.543 8.766 -2.526 1.00 0.36 O ATOM 590 CB LYS A 67 7.305 11.891 -1.928 1.00 0.43 C ATOM 591 CG LYS A 67 8.006 12.550 -3.103 1.00 1.04 C ATOM 592 CD LYS A 67 7.478 13.953 -3.329 1.00 1.15 C ATOM 593 CE LYS A 67 8.346 14.730 -4.302 1.00 1.67 C ATOM 594 NZ LYS A 67 7.804 16.090 -4.543 1.00 2.42 N ATOM 0 H LYS A 67 9.689 11.584 -1.451 1.00 0.25 H new ATOM 0 HA LYS A 67 7.429 10.169 -0.631 1.00 0.27 H new ATOM 0 HB2 LYS A 67 6.246 11.781 -2.163 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.373 12.548 -1.061 1.00 0.43 H new ATOM 0 HG2 LYS A 67 9.079 12.586 -2.918 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.858 11.952 -4.002 1.00 1.04 H new ATOM 0 HD2 LYS A 67 6.459 13.901 -3.712 1.00 1.15 H new ATOM 0 HD3 LYS A 67 7.434 14.483 -2.377 1.00 1.15 H new ATOM 0 HE2 LYS A 67 9.360 14.805 -3.908 1.00 1.67 H new ATOM 0 HE3 LYS A 67 8.410 14.190 -5.246 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 8.419 16.595 -5.212 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 6.846 16.016 -4.941 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 7.766 16.613 -3.645 1.00 2.42 H new ATOM 608 N ASP A 68 8.331 9.447 -3.694 1.00 0.28 N ATOM 609 CA ASP A 68 8.169 8.453 -4.751 1.00 0.28 C ATOM 610 C ASP A 68 8.699 7.122 -4.226 1.00 0.21 C ATOM 611 O ASP A 68 9.493 7.116 -3.302 1.00 0.23 O ATOM 612 CB ASP A 68 8.951 8.919 -5.989 1.00 0.39 C ATOM 613 CG ASP A 68 8.628 8.140 -7.242 1.00 1.12 C ATOM 614 OD1 ASP A 68 7.690 8.528 -7.972 1.00 1.65 O ATOM 615 OD2 ASP A 68 9.315 7.137 -7.509 1.00 1.88 O ATOM 0 H ASP A 68 9.109 10.090 -3.840 1.00 0.28 H new ATOM 0 HA ASP A 68 7.124 8.332 -5.035 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.741 9.974 -6.164 1.00 0.39 H new ATOM 0 HB3 ASP A 68 10.019 8.836 -5.786 1.00 0.39 H new ATOM 620 N PRO A 69 8.229 5.974 -4.730 1.00 0.19 N ATOM 621 CA PRO A 69 8.749 4.685 -4.295 1.00 0.20 C ATOM 622 C PRO A 69 9.920 4.178 -5.131 1.00 0.26 C ATOM 623 O PRO A 69 10.697 3.379 -4.652 1.00 0.65 O ATOM 624 CB PRO A 69 7.539 3.779 -4.460 1.00 0.40 C ATOM 625 CG PRO A 69 6.777 4.348 -5.613 1.00 0.37 C ATOM 626 CD PRO A 69 7.116 5.819 -5.686 1.00 0.22 C ATOM 0 HA PRO A 69 9.156 4.731 -3.285 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.841 2.750 -4.657 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.931 3.765 -3.555 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.048 3.844 -6.541 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.705 4.206 -5.474 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.411 6.112 -6.694 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.263 6.440 -5.411 1.00 0.22 H new ATOM 634 N ARG A 70 10.079 4.693 -6.344 1.00 0.20 N ATOM 635 CA ARG A 70 11.025 4.130 -7.326 1.00 0.26 C ATOM 636 C ARG A 70 12.496 4.385 -6.978 1.00 0.19 C ATOM 637 O ARG A 70 13.384 4.081 -7.768 1.00 0.27 O ATOM 638 CB ARG A 70 10.742 4.677 -8.730 1.00 0.46 C ATOM 639 CG ARG A 70 9.585 3.993 -9.441 1.00 0.96 C ATOM 640 CD ARG A 70 8.239 4.319 -8.813 1.00 0.87 C ATOM 641 NE ARG A 70 7.819 5.685 -9.104 1.00 1.06 N ATOM 642 CZ ARG A 70 6.912 6.018 -10.014 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.376 5.094 -10.803 1.00 1.89 N ATOM 644 NH2 ARG A 70 6.553 7.288 -10.139 1.00 1.79 N ATOM 0 H ARG A 70 9.565 5.506 -6.682 1.00 0.20 H new ATOM 0 HA ARG A 70 10.866 3.052 -7.298 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.530 5.744 -8.657 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.641 4.572 -9.337 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.576 4.296 -10.488 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.739 2.914 -9.423 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.487 3.622 -9.183 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.299 4.180 -7.734 1.00 0.87 H new ATOM 0 HE ARG A 70 8.253 6.438 -8.570 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.661 4.119 -10.713 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.680 5.360 -11.499 1.00 1.89 H new ATOM 0 HH21 ARG A 70 6.973 7.998 -9.539 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.857 7.555 -10.835 1.00 1.79 H new ATOM 658 N GLN A 71 12.750 4.925 -5.805 1.00 0.16 N ATOM 659 CA GLN A 71 14.119 5.230 -5.395 1.00 0.16 C ATOM 660 C GLN A 71 14.350 4.892 -3.925 1.00 0.15 C ATOM 661 O GLN A 71 15.312 5.356 -3.305 1.00 0.18 O ATOM 662 CB GLN A 71 14.440 6.709 -5.643 1.00 0.20 C ATOM 663 CG GLN A 71 13.877 7.627 -4.577 1.00 0.38 C ATOM 664 CD GLN A 71 12.377 7.539 -4.491 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.880 6.539 -3.765 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.672 8.326 -5.107 1.00 0.29 N flip ATOM 0 H GLN A 71 12.036 5.164 -5.117 1.00 0.16 H new ATOM 0 HA GLN A 71 14.785 4.612 -5.997 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.521 6.837 -5.690 1.00 0.20 H new ATOM 0 HB3 GLN A 71 14.042 7.003 -6.614 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.311 7.370 -3.611 1.00 0.38 H new ATOM 0 HG3 GLN A 71 14.168 8.655 -4.793 1.00 0.38 H new ATOM 0 HE21 GLN A 71 12.099 9.077 -5.650 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.657 8.232 -5.078 1.00 0.29 H new ATOM 675 N TRP A 72 13.477 4.072 -3.370 1.00 0.12 N ATOM 676 CA TRP A 72 13.537 3.738 -1.961 1.00 0.11 C ATOM 677 C TRP A 72 14.623 2.713 -1.694 1.00 0.12 C ATOM 678 O TRP A 72 15.074 2.014 -2.594 1.00 0.14 O ATOM 679 CB TRP A 72 12.194 3.137 -1.530 1.00 0.11 C ATOM 680 CG TRP A 72 11.173 4.129 -1.095 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.363 5.444 -0.812 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.789 3.865 -0.876 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.174 6.012 -0.440 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.191 5.065 -0.475 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.997 2.728 -0.989 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.832 5.161 -0.186 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.655 2.821 -0.703 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.083 4.028 -0.307 1.00 0.10 C ATOM 0 H TRP A 72 12.714 3.623 -3.877 1.00 0.12 H new ATOM 0 HA TRP A 72 13.756 4.647 -1.401 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.788 2.560 -2.361 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.371 2.438 -0.713 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.308 5.963 -0.871 1.00 0.10 H new ATOM 0 HE1 TRP A 72 10.043 6.989 -0.178 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.429 1.787 -1.296 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.389 6.096 0.122 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.033 1.942 -0.787 1.00 0.10 H new ATOM 0 HH2 TRP A 72 6.025 4.067 -0.092 1.00 0.10 H new ATOM 699 N THR A 73 15.089 2.677 -0.465 1.00 0.14 N ATOM 700 CA THR A 73 15.921 1.588 -0.021 1.00 0.15 C ATOM 701 C THR A 73 15.017 0.456 0.434 1.00 0.15 C ATOM 702 O THR A 73 13.810 0.668 0.595 1.00 0.16 O ATOM 703 CB THR A 73 16.847 2.014 1.136 1.00 0.18 C ATOM 704 OG1 THR A 73 16.068 2.399 2.279 1.00 0.19 O ATOM 705 CG2 THR A 73 17.741 3.176 0.720 1.00 0.21 C ATOM 0 H THR A 73 14.905 3.389 0.241 1.00 0.14 H new ATOM 0 HA THR A 73 16.558 1.269 -0.846 1.00 0.15 H new ATOM 0 HB THR A 73 17.476 1.162 1.393 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.693 3.293 2.133 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.384 3.457 1.554 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.357 2.876 -0.128 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.122 4.027 0.436 1.00 0.21 H new ATOM 713 N GLU A 74 15.567 -0.725 0.661 1.00 0.17 N ATOM 714 CA GLU A 74 14.757 -1.852 1.106 1.00 0.20 C ATOM 715 C GLU A 74 14.108 -1.531 2.450 1.00 0.19 C ATOM 716 O GLU A 74 13.072 -2.089 2.808 1.00 0.28 O ATOM 717 CB GLU A 74 15.604 -3.118 1.203 1.00 0.29 C ATOM 718 CG GLU A 74 16.302 -3.465 -0.101 1.00 1.25 C ATOM 719 CD GLU A 74 17.030 -4.786 -0.040 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.027 -4.884 0.702 1.00 1.99 O ATOM 721 OE2 GLU A 74 16.610 -5.735 -0.730 1.00 2.67 O ATOM 0 H GLU A 74 16.560 -0.930 0.547 1.00 0.17 H new ATOM 0 HA GLU A 74 13.970 -2.029 0.373 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.351 -2.990 1.986 1.00 0.29 H new ATOM 0 HB3 GLU A 74 14.969 -3.952 1.502 1.00 0.29 H new ATOM 0 HG2 GLU A 74 15.566 -3.497 -0.904 1.00 1.25 H new ATOM 0 HG3 GLU A 74 17.011 -2.675 -0.350 1.00 1.25 H new ATOM 728 N THR A 75 14.707 -0.596 3.171 1.00 0.18 N ATOM 729 CA THR A 75 14.183 -0.165 4.451 1.00 0.21 C ATOM 730 C THR A 75 12.957 0.720 4.259 1.00 0.17 C ATOM 731 O THR A 75 11.943 0.536 4.923 1.00 0.20 O ATOM 732 CB THR A 75 15.252 0.607 5.241 1.00 0.29 C ATOM 733 OG1 THR A 75 16.480 -0.131 5.216 1.00 0.47 O ATOM 734 CG2 THR A 75 14.813 0.829 6.681 1.00 0.47 C ATOM 0 H THR A 75 15.563 -0.120 2.886 1.00 0.18 H new ATOM 0 HA THR A 75 13.897 -1.054 5.012 1.00 0.21 H new ATOM 0 HB THR A 75 15.394 1.583 4.776 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.166 0.358 5.717 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.588 1.377 7.217 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.887 1.403 6.695 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.650 -0.134 7.164 1.00 0.47 H new ATOM 742 N HIS A 76 13.036 1.637 3.295 1.00 0.14 N ATOM 743 CA HIS A 76 11.978 2.621 3.095 1.00 0.12 C ATOM 744 C HIS A 76 10.742 1.962 2.502 1.00 0.10 C ATOM 745 O HIS A 76 9.608 2.325 2.825 1.00 0.10 O ATOM 746 CB HIS A 76 12.464 3.765 2.200 1.00 0.14 C ATOM 747 CG HIS A 76 13.478 4.645 2.862 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.457 5.325 2.170 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.651 4.969 4.164 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.186 6.023 3.017 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.717 5.827 4.235 1.00 0.19 N ATOM 0 H HIS A 76 13.818 1.717 2.645 1.00 0.14 H new ATOM 0 HA HIS A 76 11.711 3.039 4.065 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.895 3.347 1.290 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.609 4.370 1.899 1.00 0.14 H new ATOM 0 HD2 HIS A 76 13.058 4.616 4.995 1.00 0.16 H new ATOM 0 HE1 HIS A 76 16.026 6.650 2.758 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.087 6.245 5.089 1.00 0.19 H new ATOM 760 N VAL A 77 10.971 0.981 1.637 1.00 0.09 N ATOM 761 CA VAL A 77 9.899 0.195 1.086 1.00 0.07 C ATOM 762 C VAL A 77 9.211 -0.571 2.207 1.00 0.08 C ATOM 763 O VAL A 77 8.005 -0.475 2.371 1.00 0.08 O ATOM 764 CB VAL A 77 10.414 -0.782 0.004 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.329 -1.774 -0.375 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.903 -0.016 -1.231 1.00 0.08 C ATOM 0 H VAL A 77 11.900 0.718 1.307 1.00 0.09 H new ATOM 0 HA VAL A 77 9.186 0.866 0.608 1.00 0.07 H new ATOM 0 HB VAL A 77 11.258 -1.336 0.415 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.708 -2.454 -1.138 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.034 -2.344 0.506 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.465 -1.237 -0.766 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.261 -0.723 -1.979 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.081 0.567 -1.646 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.715 0.653 -0.946 1.00 0.08 H new ATOM 776 N ARG A 78 9.999 -1.287 3.008 1.00 0.09 N ATOM 777 CA ARG A 78 9.463 -2.055 4.133 1.00 0.11 C ATOM 778 C ARG A 78 8.726 -1.165 5.126 1.00 0.10 C ATOM 779 O ARG A 78 7.721 -1.577 5.699 1.00 0.14 O ATOM 780 CB ARG A 78 10.574 -2.795 4.858 1.00 0.18 C ATOM 781 CG ARG A 78 11.067 -4.037 4.127 1.00 0.37 C ATOM 782 CD ARG A 78 12.178 -4.713 4.910 1.00 0.40 C ATOM 783 NE ARG A 78 13.316 -3.813 5.098 1.00 1.11 N ATOM 784 CZ ARG A 78 14.095 -3.798 6.182 1.00 1.43 C ATOM 785 NH1 ARG A 78 13.908 -4.684 7.157 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.078 -2.905 6.281 1.00 2.21 N ATOM 0 H ARG A 78 11.011 -1.352 2.899 1.00 0.09 H new ATOM 0 HA ARG A 78 8.755 -2.772 3.717 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.413 -2.116 5.006 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.219 -3.084 5.847 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.241 -4.733 3.984 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.428 -3.763 3.136 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.800 -5.033 5.881 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.504 -5.610 4.384 1.00 0.40 H new ATOM 0 HE ARG A 78 13.529 -3.152 4.350 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.166 -5.380 7.079 1.00 1.57 H new ATOM 0 HH12 ARG A 78 14.506 -4.667 7.983 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.235 -2.234 5.529 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.674 -2.892 7.109 1.00 2.21 H new ATOM 800 N ASP A 79 9.241 0.043 5.328 1.00 0.11 N ATOM 801 CA ASP A 79 8.596 1.039 6.179 1.00 0.12 C ATOM 802 C ASP A 79 7.150 1.216 5.768 1.00 0.11 C ATOM 803 O ASP A 79 6.212 1.011 6.550 1.00 0.12 O ATOM 804 CB ASP A 79 9.307 2.385 6.042 1.00 0.16 C ATOM 805 CG ASP A 79 10.515 2.530 6.945 1.00 0.57 C ATOM 806 OD1 ASP A 79 10.421 2.160 8.136 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.574 2.989 6.466 1.00 0.95 O ATOM 0 H ASP A 79 10.115 0.360 4.908 1.00 0.11 H new ATOM 0 HA ASP A 79 8.649 0.694 7.212 1.00 0.12 H new ATOM 0 HB2 ASP A 79 9.621 2.517 5.006 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.600 3.184 6.265 1.00 0.16 H new ATOM 812 N TRP A 80 6.985 1.544 4.506 1.00 0.10 N ATOM 813 CA TRP A 80 5.689 1.811 3.937 1.00 0.09 C ATOM 814 C TRP A 80 4.911 0.511 3.776 1.00 0.09 C ATOM 815 O TRP A 80 3.679 0.486 3.871 1.00 0.09 O ATOM 816 CB TRP A 80 5.922 2.501 2.600 1.00 0.09 C ATOM 817 CG TRP A 80 4.851 2.302 1.596 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.740 3.060 1.404 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.815 1.265 0.624 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.019 2.559 0.349 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.661 1.450 -0.139 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.658 0.195 0.327 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.330 0.606 -1.185 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.324 -0.646 -0.707 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.169 -0.436 -1.456 1.00 0.10 C ATOM 0 H TRP A 80 7.755 1.633 3.843 1.00 0.10 H new ATOM 0 HA TRP A 80 5.093 2.454 4.584 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.040 3.570 2.776 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.862 2.141 2.182 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.466 3.924 1.991 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.148 2.948 -0.013 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.558 0.030 0.900 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.436 0.767 -1.769 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.966 -1.482 -0.942 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.933 -1.110 -2.266 1.00 0.10 H new ATOM 836 N VAL A 81 5.660 -0.567 3.575 1.00 0.10 N ATOM 837 CA VAL A 81 5.107 -1.891 3.393 1.00 0.11 C ATOM 838 C VAL A 81 4.372 -2.320 4.652 1.00 0.11 C ATOM 839 O VAL A 81 3.174 -2.596 4.633 1.00 0.11 O ATOM 840 CB VAL A 81 6.239 -2.898 3.042 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.960 -4.302 3.554 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.472 -2.937 1.541 1.00 0.14 C ATOM 0 H VAL A 81 6.679 -0.539 3.534 1.00 0.10 H new ATOM 0 HA VAL A 81 4.396 -1.875 2.567 1.00 0.11 H new ATOM 0 HB VAL A 81 7.137 -2.541 3.546 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.784 -4.960 3.279 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.859 -4.280 4.639 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.036 -4.674 3.111 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.267 -3.647 1.315 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.556 -3.246 1.038 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.760 -1.946 1.192 1.00 0.14 H new ATOM 852 N MET A 82 5.087 -2.336 5.752 1.00 0.11 N ATOM 853 CA MET A 82 4.499 -2.732 7.009 1.00 0.12 C ATOM 854 C MET A 82 3.534 -1.682 7.551 1.00 0.11 C ATOM 855 O MET A 82 2.759 -1.985 8.447 1.00 0.12 O ATOM 856 CB MET A 82 5.571 -3.073 8.035 1.00 0.15 C ATOM 857 CG MET A 82 6.434 -1.902 8.456 1.00 0.13 C ATOM 858 SD MET A 82 7.718 -2.396 9.622 1.00 0.49 S ATOM 859 CE MET A 82 6.732 -3.263 10.843 1.00 0.42 C ATOM 0 H MET A 82 6.073 -2.080 5.802 1.00 0.11 H new ATOM 0 HA MET A 82 3.915 -3.632 6.816 1.00 0.12 H new ATOM 0 HB2 MET A 82 5.090 -3.490 8.920 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.213 -3.852 7.625 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.896 -1.457 7.575 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.807 -1.134 8.910 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.276 -3.306 11.786 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.790 -2.735 10.991 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.530 -4.276 10.495 1.00 0.42 H new ATOM 869 N TRP A 83 3.569 -0.450 7.035 1.00 0.09 N ATOM 870 CA TRP A 83 2.649 0.570 7.534 1.00 0.09 C ATOM 871 C TRP A 83 1.210 0.290 7.105 1.00 0.09 C ATOM 872 O TRP A 83 0.336 0.128 7.952 1.00 0.11 O ATOM 873 CB TRP A 83 3.056 1.980 7.091 1.00 0.09 C ATOM 874 CG TRP A 83 2.071 3.018 7.522 1.00 0.10 C ATOM 875 CD1 TRP A 83 2.039 3.672 8.718 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.969 3.521 6.758 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.982 4.545 8.745 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.310 4.471 7.554 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.478 3.256 5.476 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.813 5.156 7.108 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.635 3.938 5.037 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.268 4.879 5.850 1.00 0.15 C ATOM 0 H TRP A 83 4.202 -0.143 6.297 1.00 0.09 H new ATOM 0 HA TRP A 83 2.705 0.524 8.622 1.00 0.09 H new ATOM 0 HB2 TRP A 83 4.036 2.219 7.504 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.153 2.003 6.006 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.742 3.524 9.524 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.736 5.152 9.527 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.963 2.529 4.841 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.309 5.883 7.734 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.024 3.742 4.049 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.137 5.400 5.476 1.00 0.15 H new ATOM 893 N ALA A 84 0.948 0.233 5.804 1.00 0.09 N ATOM 894 CA ALA A 84 -0.413 -0.037 5.343 1.00 0.10 C ATOM 895 C ALA A 84 -0.864 -1.367 5.921 1.00 0.10 C ATOM 896 O ALA A 84 -2.015 -1.552 6.325 1.00 0.12 O ATOM 897 CB ALA A 84 -0.490 -0.044 3.824 1.00 0.12 C ATOM 0 H ALA A 84 1.638 0.366 5.065 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.077 0.755 5.688 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.515 -0.247 3.513 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.180 0.928 3.439 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.169 -0.817 3.430 1.00 0.12 H new ATOM 903 N VAL A 85 0.097 -2.268 5.993 1.00 0.10 N ATOM 904 CA VAL A 85 -0.065 -3.544 6.644 1.00 0.11 C ATOM 905 C VAL A 85 -0.494 -3.389 8.108 1.00 0.13 C ATOM 906 O VAL A 85 -1.547 -3.877 8.491 1.00 0.14 O ATOM 907 CB VAL A 85 1.256 -4.346 6.527 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.460 -5.316 7.680 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.297 -5.087 5.203 1.00 0.14 C ATOM 0 H VAL A 85 1.025 -2.127 5.593 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.865 -4.091 6.145 1.00 0.11 H new ATOM 0 HB VAL A 85 2.073 -3.626 6.573 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.401 -5.850 7.545 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.488 -4.764 8.619 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.638 -6.031 7.704 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.229 -5.648 5.129 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.453 -5.775 5.145 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.238 -4.371 4.383 1.00 0.14 H new ATOM 919 N ASN A 86 0.292 -2.691 8.917 1.00 0.15 N ATOM 920 CA ASN A 86 0.037 -2.645 10.356 1.00 0.19 C ATOM 921 C ASN A 86 -1.248 -1.893 10.693 1.00 0.23 C ATOM 922 O ASN A 86 -1.819 -2.081 11.766 1.00 0.27 O ATOM 923 CB ASN A 86 1.240 -2.091 11.130 1.00 0.23 C ATOM 924 CG ASN A 86 1.207 -0.595 11.409 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.647 -0.149 12.470 1.00 0.61 O ATOM 926 ND2 ASN A 86 0.715 0.190 10.473 1.00 0.32 N ATOM 0 H ASN A 86 1.103 -2.154 8.609 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.109 -3.675 10.680 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.312 -2.619 12.081 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.147 -2.318 10.569 1.00 0.23 H new ATOM 0 HD21 ASN A 86 0.690 1.200 10.615 1.00 0.32 H new ATOM 0 HD22 ASN A 86 0.359 -0.212 9.606 1.00 0.32 H new ATOM 933 N GLU A 87 -1.703 -1.054 9.771 1.00 0.24 N ATOM 934 CA GLU A 87 -2.928 -0.289 9.972 1.00 0.31 C ATOM 935 C GLU A 87 -4.109 -1.221 9.781 1.00 0.28 C ATOM 936 O GLU A 87 -5.112 -1.159 10.490 1.00 0.35 O ATOM 937 CB GLU A 87 -3.005 0.886 8.985 1.00 0.38 C ATOM 938 CG GLU A 87 -4.346 1.617 8.987 1.00 1.23 C ATOM 939 CD GLU A 87 -4.619 2.372 10.274 1.00 1.35 C ATOM 940 OE1 GLU A 87 -4.824 1.727 11.322 1.00 2.15 O ATOM 941 OE2 GLU A 87 -4.650 3.620 10.240 1.00 1.08 O ATOM 0 H GLU A 87 -1.242 -0.886 8.877 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.940 0.127 10.979 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.215 1.598 9.223 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.807 0.515 7.979 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.371 2.317 8.152 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -5.145 0.895 8.822 1.00 1.23 H new ATOM 948 N PHE A 88 -3.948 -2.106 8.815 1.00 0.23 N ATOM 949 CA PHE A 88 -4.936 -3.119 8.510 1.00 0.23 C ATOM 950 C PHE A 88 -4.749 -4.361 9.368 1.00 0.25 C ATOM 951 O PHE A 88 -5.503 -5.329 9.252 1.00 0.30 O ATOM 952 CB PHE A 88 -4.807 -3.493 7.048 1.00 0.24 C ATOM 953 CG PHE A 88 -5.651 -2.652 6.141 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.978 -2.983 5.917 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.129 -1.533 5.524 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.766 -2.212 5.089 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.912 -0.761 4.694 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.232 -1.099 4.478 1.00 0.45 C ATOM 0 H PHE A 88 -3.122 -2.141 8.217 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.926 -2.715 8.722 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.763 -3.402 6.748 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.084 -4.540 6.923 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.399 -3.854 6.396 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.098 -1.260 5.693 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.799 -2.480 4.920 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.492 0.110 4.212 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.846 -0.491 3.830 1.00 0.45 H new ATOM 968 N SER A 89 -3.742 -4.312 10.233 1.00 0.27 N ATOM 969 CA SER A 89 -3.332 -5.465 11.023 1.00 0.34 C ATOM 970 C SER A 89 -2.964 -6.638 10.116 1.00 0.36 C ATOM 971 O SER A 89 -3.324 -7.781 10.377 1.00 0.48 O ATOM 972 CB SER A 89 -4.429 -5.856 12.016 1.00 0.45 C ATOM 973 OG SER A 89 -4.660 -4.810 12.948 1.00 1.07 O ATOM 0 H SER A 89 -3.188 -3.473 10.405 1.00 0.27 H new ATOM 0 HA SER A 89 -2.444 -5.193 11.594 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.350 -6.080 11.478 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.140 -6.764 12.545 1.00 0.45 H new ATOM 0 HG SER A 89 -5.366 -5.079 13.573 1.00 1.07 H new ATOM 979 N LEU A 90 -2.217 -6.340 9.056 1.00 0.31 N ATOM 980 CA LEU A 90 -1.754 -7.355 8.115 1.00 0.40 C ATOM 981 C LEU A 90 -0.400 -7.856 8.556 1.00 0.59 C ATOM 982 O LEU A 90 0.379 -8.329 7.734 1.00 1.23 O ATOM 983 CB LEU A 90 -1.607 -6.772 6.707 1.00 0.33 C ATOM 984 CG LEU A 90 -2.710 -5.821 6.278 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.371 -5.232 4.927 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.046 -6.550 6.230 1.00 0.27 C ATOM 0 H LEU A 90 -1.917 -5.393 8.826 1.00 0.31 H new ATOM 0 HA LEU A 90 -2.487 -8.162 8.096 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.654 -6.247 6.647 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.562 -7.595 5.994 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.793 -5.012 7.004 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.163 -4.549 4.619 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.428 -4.689 4.993 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.277 -6.033 4.194 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.828 -5.856 5.921 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -3.987 -7.372 5.516 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.281 -6.945 7.219 1.00 0.27 H new ATOM 998 N LYS A 91 -0.098 -7.615 9.832 1.00 0.24 N ATOM 999 CA LYS A 91 1.118 -8.097 10.505 1.00 0.39 C ATOM 1000 C LYS A 91 1.360 -9.616 10.369 1.00 0.26 C ATOM 1001 O LYS A 91 1.565 -10.316 11.359 1.00 0.39 O ATOM 1002 CB LYS A 91 1.046 -7.712 11.988 1.00 0.78 C ATOM 1003 CG LYS A 91 -0.251 -8.142 12.662 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.357 -7.621 14.084 1.00 1.49 C ATOM 1005 CE LYS A 91 -1.705 -7.968 14.699 1.00 1.91 C ATOM 1006 NZ LYS A 91 -1.942 -9.437 14.745 1.00 2.48 N ATOM 0 H LYS A 91 -0.703 -7.067 10.444 1.00 0.24 H new ATOM 0 HA LYS A 91 1.963 -7.620 10.009 1.00 0.39 H new ATOM 0 HB2 LYS A 91 1.887 -8.163 12.514 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.154 -6.631 12.081 1.00 0.78 H new ATOM 0 HG2 LYS A 91 -1.099 -7.780 12.080 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.311 -9.230 12.670 1.00 1.31 H new ATOM 0 HD2 LYS A 91 0.443 -8.047 14.690 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -0.220 -6.540 14.089 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -1.757 -7.562 15.709 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -2.498 -7.492 14.123 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 -2.786 -9.635 15.319 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -2.088 -9.795 13.780 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -1.117 -9.909 15.168 1.00 2.48 H new ATOM 1020 N GLY A 92 1.329 -10.103 9.144 1.00 0.26 N ATOM 1021 CA GLY A 92 1.766 -11.433 8.812 1.00 0.31 C ATOM 1022 C GLY A 92 2.415 -11.390 7.444 1.00 0.31 C ATOM 1023 O GLY A 92 2.388 -12.357 6.684 1.00 0.47 O ATOM 0 H GLY A 92 0.992 -9.571 8.341 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.473 -11.798 9.557 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.921 -12.122 8.810 1.00 0.31 H new ATOM 1027 N VAL A 93 2.986 -10.222 7.139 1.00 0.21 N ATOM 1028 CA VAL A 93 3.653 -9.974 5.880 1.00 0.21 C ATOM 1029 C VAL A 93 5.019 -10.629 5.894 1.00 0.20 C ATOM 1030 O VAL A 93 5.710 -10.615 6.916 1.00 0.22 O ATOM 1031 CB VAL A 93 3.776 -8.445 5.623 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.214 -8.001 5.402 1.00 0.21 C ATOM 1033 CG2 VAL A 93 2.938 -8.056 4.434 1.00 0.23 C ATOM 0 H VAL A 93 2.993 -9.422 7.771 1.00 0.21 H new ATOM 0 HA VAL A 93 3.064 -10.404 5.070 1.00 0.21 H new ATOM 0 HB VAL A 93 3.415 -7.941 6.520 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.240 -6.925 5.228 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.808 -8.240 6.284 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.626 -8.519 4.536 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.029 -6.984 4.260 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.283 -8.597 3.553 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.895 -8.305 4.627 1.00 0.23 H new ATOM 1043 N ASP A 94 5.403 -11.225 4.781 1.00 0.21 N ATOM 1044 CA ASP A 94 6.733 -11.776 4.669 1.00 0.24 C ATOM 1045 C ASP A 94 7.670 -10.642 4.313 1.00 0.21 C ATOM 1046 O ASP A 94 7.804 -10.285 3.142 1.00 0.20 O ATOM 1047 CB ASP A 94 6.785 -12.864 3.598 1.00 0.32 C ATOM 1048 CG ASP A 94 8.042 -13.708 3.680 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.144 -13.126 3.722 1.00 1.94 O ATOM 1050 OD2 ASP A 94 7.941 -14.953 3.716 1.00 1.10 O ATOM 0 H ASP A 94 4.818 -11.338 3.953 1.00 0.21 H new ATOM 0 HA ASP A 94 7.027 -12.236 5.612 1.00 0.24 H new ATOM 0 HB2 ASP A 94 5.912 -13.509 3.699 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.727 -12.401 2.613 1.00 0.32 H new ATOM 1055 N PHE A 95 8.289 -10.052 5.327 1.00 0.23 N ATOM 1056 CA PHE A 95 9.111 -8.864 5.135 1.00 0.24 C ATOM 1057 C PHE A 95 10.278 -9.150 4.197 1.00 0.23 C ATOM 1058 O PHE A 95 10.863 -8.236 3.617 1.00 0.28 O ATOM 1059 CB PHE A 95 9.645 -8.349 6.477 1.00 0.29 C ATOM 1060 CG PHE A 95 8.569 -8.017 7.476 1.00 0.37 C ATOM 1061 CD1 PHE A 95 7.931 -6.788 7.447 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.199 -8.938 8.443 1.00 0.41 C ATOM 1063 CE1 PHE A 95 6.942 -6.483 8.365 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.211 -8.639 9.364 1.00 0.52 C ATOM 1065 CZ PHE A 95 6.582 -7.409 9.323 1.00 0.61 C ATOM 0 H PHE A 95 8.237 -10.377 6.292 1.00 0.23 H new ATOM 0 HA PHE A 95 8.479 -8.098 4.685 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.306 -9.102 6.907 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.249 -7.459 6.299 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.209 -6.060 6.699 1.00 0.55 H new ATOM 0 HD2 PHE A 95 8.688 -9.900 8.478 1.00 0.41 H new ATOM 0 HE1 PHE A 95 6.452 -5.521 8.332 1.00 0.66 H new ATOM 0 HE2 PHE A 95 6.932 -9.365 10.113 1.00 0.52 H new ATOM 0 HZ PHE A 95 5.810 -7.173 10.040 1.00 0.61 H new ATOM 1075 N GLN A 96 10.609 -10.425 4.059 1.00 0.21 N ATOM 1076 CA GLN A 96 11.695 -10.846 3.185 1.00 0.24 C ATOM 1077 C GLN A 96 11.211 -11.077 1.766 1.00 0.21 C ATOM 1078 O GLN A 96 11.990 -10.998 0.820 1.00 0.25 O ATOM 1079 CB GLN A 96 12.368 -12.103 3.718 1.00 0.33 C ATOM 1080 CG GLN A 96 13.255 -11.843 4.925 1.00 1.06 C ATOM 1081 CD GLN A 96 14.332 -10.817 4.628 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.027 -9.551 4.869 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 15.428 -11.159 4.188 1.00 1.93 N flip ATOM 0 H GLN A 96 10.139 -11.190 4.543 1.00 0.21 H new ATOM 0 HA GLN A 96 12.426 -10.037 3.167 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.602 -12.830 3.988 1.00 0.33 H new ATOM 0 HB3 GLN A 96 12.967 -12.550 2.925 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.642 -11.495 5.757 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.721 -12.777 5.241 1.00 1.06 H new ATOM 0 HE21 GLN A 96 15.623 -12.145 4.016 1.00 1.93 H new ATOM 0 HE22 GLN A 96 16.142 -10.456 3.995 1.00 1.93 H new ATOM 1092 N LYS A 97 9.931 -11.374 1.607 1.00 0.18 N ATOM 1093 CA LYS A 97 9.355 -11.434 0.279 1.00 0.19 C ATOM 1094 C LYS A 97 9.166 -10.002 -0.184 1.00 0.17 C ATOM 1095 O LYS A 97 9.211 -9.690 -1.370 1.00 0.20 O ATOM 1096 CB LYS A 97 8.016 -12.185 0.281 1.00 0.23 C ATOM 1097 CG LYS A 97 7.753 -12.999 -0.982 1.00 0.26 C ATOM 1098 CD LYS A 97 7.559 -12.120 -2.207 1.00 0.25 C ATOM 1099 CE LYS A 97 7.362 -12.948 -3.466 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.561 -13.765 -3.783 1.00 1.43 N ATOM 0 H LYS A 97 9.283 -11.574 2.369 1.00 0.18 H new ATOM 0 HA LYS A 97 10.015 -11.980 -0.395 1.00 0.19 H new ATOM 0 HB2 LYS A 97 7.988 -12.853 1.142 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.208 -11.464 0.410 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.588 -13.678 -1.154 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.866 -13.615 -0.836 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.695 -11.473 -2.058 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.426 -11.471 -2.330 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.500 -13.602 -3.339 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.140 -12.287 -4.304 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.496 -14.113 -4.761 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.416 -13.182 -3.679 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.612 -14.574 -3.131 1.00 1.43 H new ATOM 1114 N PHE A 98 9.024 -9.126 0.802 1.00 0.16 N ATOM 1115 CA PHE A 98 8.880 -7.704 0.577 1.00 0.16 C ATOM 1116 C PHE A 98 10.247 -7.037 0.467 1.00 0.20 C ATOM 1117 O PHE A 98 10.400 -5.847 0.757 1.00 0.22 O ATOM 1118 CB PHE A 98 8.080 -7.084 1.718 1.00 0.15 C ATOM 1119 CG PHE A 98 6.609 -7.136 1.479 1.00 0.11 C ATOM 1120 CD1 PHE A 98 5.961 -6.141 0.766 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.870 -8.182 1.986 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.602 -6.199 0.570 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.514 -8.249 1.787 1.00 0.13 C ATOM 1124 CZ PHE A 98 3.888 -7.207 0.994 1.00 0.12 C ATOM 0 H PHE A 98 9.006 -9.390 1.787 1.00 0.16 H new ATOM 0 HA PHE A 98 8.348 -7.547 -0.361 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.313 -7.606 2.646 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.387 -6.046 1.851 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.527 -5.315 0.362 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.365 -8.960 2.548 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.111 -5.389 0.051 1.00 0.11 H new ATOM 0 HE2 PHE A 98 3.930 -9.054 2.208 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.836 -7.265 0.756 1.00 0.12 H new ATOM 1134 N CYS A 99 11.234 -7.816 0.053 1.00 0.26 N ATOM 1135 CA CYS A 99 12.586 -7.324 -0.116 1.00 0.31 C ATOM 1136 C CYS A 99 12.694 -6.523 -1.406 1.00 0.23 C ATOM 1137 O CYS A 99 13.204 -7.012 -2.418 1.00 0.27 O ATOM 1138 CB CYS A 99 13.539 -8.512 -0.182 1.00 0.45 C ATOM 1139 SG CYS A 99 15.274 -8.127 0.154 1.00 1.20 S ATOM 0 H CYS A 99 11.118 -8.804 -0.174 1.00 0.26 H new ATOM 0 HA CYS A 99 12.844 -6.680 0.725 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.206 -9.265 0.532 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.468 -8.960 -1.173 1.00 0.45 H new ATOM 0 HG CYS A 99 15.616 -7.057 -0.500 1.00 1.20 H new ATOM 1145 N MET A 100 12.222 -5.292 -1.374 1.00 0.19 N ATOM 1146 CA MET A 100 12.353 -4.420 -2.518 1.00 0.16 C ATOM 1147 C MET A 100 13.125 -3.177 -2.173 1.00 0.17 C ATOM 1148 O MET A 100 12.859 -2.518 -1.169 1.00 0.20 O ATOM 1149 CB MET A 100 10.994 -3.990 -3.090 1.00 0.22 C ATOM 1150 CG MET A 100 10.273 -5.058 -3.888 1.00 0.22 C ATOM 1151 SD MET A 100 9.399 -6.236 -2.844 1.00 0.13 S ATOM 1152 CE MET A 100 8.229 -5.157 -2.019 1.00 0.18 C ATOM 0 H MET A 100 11.747 -4.878 -0.572 1.00 0.19 H new ATOM 0 HA MET A 100 12.887 -5.002 -3.269 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.352 -3.676 -2.267 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.143 -3.119 -3.728 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.563 -4.583 -4.565 1.00 0.22 H new ATOM 0 HG3 MET A 100 10.994 -5.592 -4.506 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.491 -5.075 -0.964 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.259 -4.169 -2.478 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.225 -5.570 -2.112 1.00 0.18 H new ATOM 1162 N SER A 101 14.092 -2.876 -3.002 1.00 0.16 N ATOM 1163 CA SER A 101 14.578 -1.529 -3.093 1.00 0.18 C ATOM 1164 C SER A 101 13.511 -0.783 -3.875 1.00 0.14 C ATOM 1165 O SER A 101 12.818 -1.408 -4.657 1.00 0.15 O ATOM 1166 CB SER A 101 15.934 -1.479 -3.802 1.00 0.24 C ATOM 1167 OG SER A 101 16.896 -2.267 -3.116 1.00 1.26 O ATOM 0 H SER A 101 14.554 -3.544 -3.619 1.00 0.16 H new ATOM 0 HA SER A 101 14.745 -1.084 -2.112 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.827 -1.839 -4.825 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.280 -0.447 -3.861 1.00 0.24 H new ATOM 0 HG SER A 101 17.753 -2.221 -3.588 1.00 1.26 H new ATOM 1173 N GLY A 102 13.322 0.494 -3.645 1.00 0.13 N ATOM 1174 CA GLY A 102 12.196 1.182 -4.236 1.00 0.14 C ATOM 1175 C GLY A 102 12.071 1.016 -5.741 1.00 0.14 C ATOM 1176 O GLY A 102 10.957 0.911 -6.264 1.00 0.16 O ATOM 0 H GLY A 102 13.924 1.074 -3.060 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.280 0.822 -3.767 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.275 2.245 -4.006 1.00 0.14 H new ATOM 1180 N ALA A 103 13.193 0.999 -6.449 1.00 0.17 N ATOM 1181 CA ALA A 103 13.164 0.772 -7.887 1.00 0.21 C ATOM 1182 C ALA A 103 12.598 -0.611 -8.178 1.00 0.21 C ATOM 1183 O ALA A 103 11.852 -0.809 -9.136 1.00 0.25 O ATOM 1184 CB ALA A 103 14.555 0.930 -8.478 1.00 0.26 C ATOM 0 H ALA A 103 14.124 1.138 -6.056 1.00 0.17 H new ATOM 0 HA ALA A 103 12.518 1.515 -8.354 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.515 0.757 -9.553 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.919 1.939 -8.286 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.230 0.207 -8.019 1.00 0.26 H new ATOM 1190 N ALA A 104 12.937 -1.549 -7.306 1.00 0.19 N ATOM 1191 CA ALA A 104 12.415 -2.900 -7.370 1.00 0.20 C ATOM 1192 C ALA A 104 10.958 -2.916 -6.943 1.00 0.16 C ATOM 1193 O ALA A 104 10.150 -3.641 -7.526 1.00 0.17 O ATOM 1194 CB ALA A 104 13.230 -3.827 -6.485 1.00 0.22 C ATOM 0 H ALA A 104 13.584 -1.391 -6.533 1.00 0.19 H new ATOM 0 HA ALA A 104 12.486 -3.252 -8.399 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.824 -4.837 -6.545 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.267 -3.832 -6.821 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.184 -3.478 -5.453 1.00 0.22 H new ATOM 1200 N LEU A 105 10.628 -2.136 -5.905 1.00 0.12 N ATOM 1201 CA LEU A 105 9.251 -1.951 -5.473 1.00 0.09 C ATOM 1202 C LEU A 105 8.340 -1.644 -6.641 1.00 0.12 C ATOM 1203 O LEU A 105 7.246 -2.155 -6.745 1.00 0.13 O ATOM 1204 CB LEU A 105 9.154 -0.793 -4.471 1.00 0.09 C ATOM 1205 CG LEU A 105 7.740 -0.564 -3.969 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.281 -1.743 -3.137 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.633 0.716 -3.184 1.00 0.14 C ATOM 0 H LEU A 105 11.310 -1.621 -5.348 1.00 0.12 H new ATOM 0 HA LEU A 105 8.935 -2.884 -5.006 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.807 -0.998 -3.622 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.520 0.120 -4.942 1.00 0.09 H new ATOM 0 HG LEU A 105 7.087 -0.471 -4.837 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.265 -1.565 -2.783 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.301 -2.647 -3.745 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.946 -1.866 -2.282 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.607 0.847 -2.840 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.301 0.672 -2.324 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.913 1.557 -3.819 1.00 0.14 H new ATOM 1219 N CYS A 106 8.775 -0.734 -7.451 1.00 0.21 N ATOM 1220 CA CYS A 106 8.092 -0.416 -8.678 1.00 0.31 C ATOM 1221 C CYS A 106 8.184 -1.548 -9.700 1.00 0.34 C ATOM 1222 O CYS A 106 7.171 -1.952 -10.276 1.00 0.40 O ATOM 1223 CB CYS A 106 8.691 0.850 -9.245 1.00 0.39 C ATOM 1224 SG CYS A 106 8.001 1.357 -10.840 1.00 0.74 S ATOM 0 H CYS A 106 9.618 -0.184 -7.286 1.00 0.21 H new ATOM 0 HA CYS A 106 7.033 -0.275 -8.460 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.547 1.658 -8.528 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.766 0.710 -9.356 1.00 0.39 H new ATOM 0 HG CYS A 106 8.827 2.167 -11.433 1.00 0.74 H new ATOM 1230 N ALA A 107 9.401 -2.040 -9.931 1.00 0.33 N ATOM 1231 CA ALA A 107 9.667 -3.048 -10.957 1.00 0.41 C ATOM 1232 C ALA A 107 8.764 -4.279 -10.869 1.00 0.38 C ATOM 1233 O ALA A 107 8.457 -4.880 -11.902 1.00 0.46 O ATOM 1234 CB ALA A 107 11.127 -3.475 -10.895 1.00 0.47 C ATOM 0 H ALA A 107 10.230 -1.751 -9.412 1.00 0.33 H new ATOM 0 HA ALA A 107 9.444 -2.574 -11.913 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.319 -4.226 -11.661 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.767 -2.609 -11.066 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.342 -3.896 -9.913 1.00 0.47 H new ATOM 1240 N LEU A 108 8.346 -4.670 -9.665 1.00 0.29 N ATOM 1241 CA LEU A 108 7.500 -5.855 -9.518 1.00 0.26 C ATOM 1242 C LEU A 108 6.200 -5.729 -10.318 1.00 0.26 C ATOM 1243 O LEU A 108 5.755 -6.687 -10.950 1.00 0.28 O ATOM 1244 CB LEU A 108 7.219 -6.186 -8.032 1.00 0.21 C ATOM 1245 CG LEU A 108 6.964 -5.008 -7.081 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.608 -4.335 -7.332 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.076 -5.491 -5.641 1.00 0.19 C ATOM 0 H LEU A 108 8.574 -4.194 -8.792 1.00 0.29 H new ATOM 0 HA LEU A 108 8.059 -6.693 -9.935 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.352 -6.845 -7.992 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.067 -6.752 -7.647 1.00 0.21 H new ATOM 0 HG LEU A 108 7.722 -4.248 -7.272 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.477 -3.509 -6.633 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.574 -3.956 -8.353 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.809 -5.062 -7.188 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.896 -4.657 -4.962 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.337 -6.272 -5.461 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.075 -5.890 -5.468 1.00 0.19 H new ATOM 1259 N GLY A 109 5.618 -4.540 -10.322 1.00 0.27 N ATOM 1260 CA GLY A 109 4.364 -4.338 -11.007 1.00 0.32 C ATOM 1261 C GLY A 109 3.195 -4.894 -10.226 1.00 0.27 C ATOM 1262 O GLY A 109 3.387 -5.570 -9.212 1.00 0.23 O ATOM 0 H GLY A 109 5.994 -3.711 -9.862 1.00 0.27 H new ATOM 0 HA2 GLY A 109 4.212 -3.272 -11.177 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.405 -4.815 -11.986 1.00 0.32 H new ATOM 1266 N LYS A 110 1.990 -4.588 -10.690 1.00 0.33 N ATOM 1267 CA LYS A 110 0.765 -5.081 -10.064 1.00 0.36 C ATOM 1268 C LYS A 110 0.879 -6.573 -9.770 1.00 0.26 C ATOM 1269 O LYS A 110 0.790 -6.995 -8.614 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.436 -4.855 -11.001 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.788 -4.692 -10.308 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.052 -5.756 -9.252 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.249 -7.165 -9.820 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.519 -7.294 -10.582 1.00 0.67 N ATOM 0 H LYS A 110 1.832 -3.995 -11.505 1.00 0.33 H new ATOM 0 HA LYS A 110 0.618 -4.535 -9.132 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -0.245 -3.965 -11.600 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.500 -5.696 -11.691 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -1.834 -3.708 -9.842 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -2.580 -4.728 -11.057 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.218 -5.772 -8.551 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -2.940 -5.477 -8.685 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.411 -7.412 -10.471 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.243 -7.887 -9.004 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -4.169 -7.923 -10.069 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -3.956 -6.356 -10.689 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.321 -7.693 -11.522 1.00 0.67 H new ATOM 1288 N GLU A 111 1.066 -7.352 -10.830 1.00 0.25 N ATOM 1289 CA GLU A 111 1.068 -8.811 -10.741 1.00 0.31 C ATOM 1290 C GLU A 111 1.951 -9.306 -9.607 1.00 0.27 C ATOM 1291 O GLU A 111 1.475 -9.934 -8.666 1.00 0.39 O ATOM 1292 CB GLU A 111 1.555 -9.421 -12.058 1.00 0.48 C ATOM 1293 CG GLU A 111 0.713 -9.034 -13.259 1.00 1.39 C ATOM 1294 CD GLU A 111 -0.737 -9.428 -13.093 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -1.060 -10.617 -13.291 1.00 2.46 O ATOM 1296 OE2 GLU A 111 -1.560 -8.549 -12.765 1.00 2.54 O ATOM 0 H GLU A 111 1.220 -6.993 -11.772 1.00 0.25 H new ATOM 0 HA GLU A 111 0.043 -9.124 -10.541 1.00 0.31 H new ATOM 0 HB2 GLU A 111 2.585 -9.110 -12.233 1.00 0.48 H new ATOM 0 HB3 GLU A 111 1.561 -10.507 -11.965 1.00 0.48 H new ATOM 0 HG2 GLU A 111 0.779 -7.957 -13.415 1.00 1.39 H new ATOM 0 HG3 GLU A 111 1.117 -9.511 -14.152 1.00 1.39 H new ATOM 1303 N CYS A 112 3.227 -8.974 -9.691 1.00 0.21 N ATOM 1304 CA CYS A 112 4.205 -9.488 -8.761 1.00 0.18 C ATOM 1305 C CYS A 112 3.877 -9.067 -7.341 1.00 0.15 C ATOM 1306 O CYS A 112 3.880 -9.906 -6.456 1.00 0.17 O ATOM 1307 CB CYS A 112 5.619 -9.054 -9.142 1.00 0.21 C ATOM 1308 SG CYS A 112 6.921 -9.754 -8.097 1.00 1.36 S ATOM 0 H CYS A 112 3.607 -8.347 -10.400 1.00 0.21 H new ATOM 0 HA CYS A 112 4.167 -10.576 -8.812 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.807 -9.339 -10.177 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.678 -7.967 -9.096 1.00 0.21 H new ATOM 0 HG CYS A 112 8.080 -9.327 -8.503 1.00 1.36 H new ATOM 1314 N PHE A 113 3.584 -7.786 -7.121 1.00 0.13 N ATOM 1315 CA PHE A 113 3.284 -7.304 -5.776 1.00 0.12 C ATOM 1316 C PHE A 113 2.161 -8.106 -5.106 1.00 0.13 C ATOM 1317 O PHE A 113 2.280 -8.519 -3.953 1.00 0.14 O ATOM 1318 CB PHE A 113 2.923 -5.813 -5.782 1.00 0.12 C ATOM 1319 CG PHE A 113 3.223 -5.161 -4.462 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.439 -5.406 -3.338 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.265 -4.260 -4.358 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.704 -4.761 -2.150 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.520 -3.609 -3.178 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.811 -4.062 -1.986 1.00 0.10 C ATOM 0 H PHE A 113 3.548 -7.072 -7.848 1.00 0.13 H new ATOM 0 HA PHE A 113 4.194 -7.446 -5.193 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.479 -5.308 -6.572 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.864 -5.696 -6.013 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.618 -6.106 -3.398 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.888 -4.065 -5.218 1.00 0.11 H new ATOM 0 HE1 PHE A 113 1.994 -4.829 -1.339 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.222 -2.789 -3.133 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.182 -3.832 -0.998 1.00 0.10 H new ATOM 1334 N LEU A 114 1.066 -8.329 -5.804 1.00 0.14 N ATOM 1335 CA LEU A 114 -0.058 -9.017 -5.173 1.00 0.17 C ATOM 1336 C LEU A 114 0.197 -10.507 -5.117 1.00 0.22 C ATOM 1337 O LEU A 114 -0.429 -11.221 -4.343 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.377 -8.737 -5.870 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.568 -7.308 -6.367 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.042 -7.006 -6.510 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.918 -6.290 -5.453 1.00 0.50 C ATOM 0 H LEU A 114 0.924 -8.057 -6.777 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.140 -8.626 -4.159 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.470 -9.414 -6.719 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.189 -8.975 -5.183 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.078 -7.232 -7.338 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.171 -5.984 -6.865 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.487 -7.698 -7.225 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.532 -7.119 -5.543 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.082 -5.288 -5.850 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.356 -6.362 -4.458 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.153 -6.486 -5.393 1.00 0.50 H new ATOM 1353 N GLU A 115 1.099 -10.973 -5.965 1.00 0.22 N ATOM 1354 CA GLU A 115 1.590 -12.331 -5.864 1.00 0.28 C ATOM 1355 C GLU A 115 2.605 -12.418 -4.721 1.00 0.27 C ATOM 1356 O GLU A 115 2.939 -13.498 -4.235 1.00 0.37 O ATOM 1357 CB GLU A 115 2.261 -12.769 -7.166 1.00 0.37 C ATOM 1358 CG GLU A 115 1.309 -12.912 -8.344 1.00 0.48 C ATOM 1359 CD GLU A 115 0.367 -14.087 -8.199 1.00 1.33 C ATOM 1360 OE1 GLU A 115 -0.692 -13.936 -7.554 1.00 1.81 O ATOM 1361 OE2 GLU A 115 0.680 -15.172 -8.739 1.00 2.21 O ATOM 0 H GLU A 115 1.503 -10.430 -6.728 1.00 0.22 H new ATOM 0 HA GLU A 115 0.744 -12.991 -5.670 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.034 -12.045 -7.424 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.761 -13.723 -7.000 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.727 -11.996 -8.448 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.888 -13.027 -9.261 1.00 0.48 H new ATOM 1368 N LEU A 116 3.072 -11.245 -4.311 1.00 0.20 N ATOM 1369 CA LEU A 116 4.165 -11.094 -3.357 1.00 0.19 C ATOM 1370 C LEU A 116 3.659 -11.052 -1.911 1.00 0.22 C ATOM 1371 O LEU A 116 4.383 -11.393 -0.972 1.00 0.26 O ATOM 1372 CB LEU A 116 4.950 -9.830 -3.744 1.00 0.15 C ATOM 1373 CG LEU A 116 5.563 -9.000 -2.620 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.910 -8.455 -3.053 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.647 -7.854 -2.254 1.00 0.16 C ATOM 0 H LEU A 116 2.695 -10.355 -4.638 1.00 0.20 H new ATOM 0 HA LEU A 116 4.825 -11.960 -3.401 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.754 -10.128 -4.417 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.283 -9.182 -4.313 1.00 0.15 H new ATOM 0 HG LEU A 116 5.696 -9.641 -1.748 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.340 -7.864 -2.245 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.578 -9.283 -3.292 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.782 -7.826 -3.934 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.097 -7.271 -1.451 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.496 -7.216 -3.125 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.686 -8.248 -1.922 1.00 0.16 H new ATOM 1387 N ALA A 117 2.413 -10.638 -1.744 1.00 0.21 N ATOM 1388 CA ALA A 117 1.744 -10.690 -0.445 1.00 0.22 C ATOM 1389 C ALA A 117 0.389 -11.359 -0.615 1.00 0.23 C ATOM 1390 O ALA A 117 0.055 -11.765 -1.723 1.00 0.26 O ATOM 1391 CB ALA A 117 1.583 -9.289 0.145 1.00 0.22 C ATOM 0 H ALA A 117 1.837 -10.259 -2.496 1.00 0.21 H new ATOM 0 HA ALA A 117 2.353 -11.269 0.249 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.083 -9.356 1.111 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.565 -8.834 0.276 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.986 -8.676 -0.531 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.403 -11.531 0.458 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.810 -11.887 0.308 1.00 0.25 C ATOM 1399 C PRO A 118 -2.476 -10.955 -0.695 1.00 0.22 C ATOM 1400 O PRO A 118 -2.221 -9.753 -0.683 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.377 -11.664 1.704 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.225 -11.894 2.621 1.00 0.32 C ATOM 1403 CD PRO A 118 0.003 -11.444 1.875 1.00 0.29 C ATOM 0 HA PRO A 118 -1.967 -12.902 -0.057 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.775 -10.655 1.813 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -3.194 -12.354 1.914 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.346 -11.331 3.547 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -1.150 -12.946 2.895 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.289 -10.429 2.149 1.00 0.29 H new ATOM 0 HD3 PRO A 118 0.859 -12.085 2.087 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.297 -11.511 -1.571 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.866 -10.764 -2.696 1.00 0.32 C ATOM 1413 C ASP A 119 -4.621 -9.499 -2.272 1.00 0.31 C ATOM 1414 O ASP A 119 -4.839 -8.619 -3.099 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.778 -11.664 -3.535 1.00 0.41 C ATOM 1416 CG ASP A 119 -6.096 -11.977 -2.862 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.086 -12.668 -1.822 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -7.144 -11.513 -3.354 1.00 1.26 O ATOM 0 H ASP A 119 -3.590 -12.487 -1.529 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.019 -10.434 -3.297 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.973 -11.180 -4.492 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.257 -12.597 -3.750 1.00 0.41 H new ATOM 1423 N PHE A 120 -5.020 -9.390 -1.005 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.647 -8.163 -0.528 1.00 0.32 C ATOM 1425 C PHE A 120 -4.582 -7.235 0.017 1.00 0.22 C ATOM 1426 O PHE A 120 -4.637 -6.033 -0.160 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.719 -8.440 0.532 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.390 -7.205 1.071 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.656 -6.115 0.253 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.757 -7.139 2.405 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.272 -4.987 0.759 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.373 -6.014 2.916 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.629 -4.936 2.093 1.00 1.86 C ATOM 0 H PHE A 120 -4.922 -10.124 -0.303 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.151 -7.688 -1.369 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.478 -9.094 0.102 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.263 -8.982 1.360 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.378 -6.150 -0.790 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.559 -7.979 3.054 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.474 -4.146 0.113 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.654 -5.978 3.958 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.108 -4.054 2.491 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.597 -7.824 0.659 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.546 -7.087 1.330 1.00 0.17 C ATOM 1445 C VAL A 121 -1.562 -6.510 0.341 1.00 0.15 C ATOM 1446 O VAL A 121 -1.146 -5.359 0.466 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.825 -8.010 2.305 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.676 -7.297 3.000 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.844 -8.535 3.292 1.00 0.22 C ATOM 0 H VAL A 121 -3.501 -8.837 0.731 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.999 -6.257 1.872 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.376 -8.845 1.766 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.184 -7.985 3.688 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.042 -6.953 2.256 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.061 -6.442 3.555 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.353 -9.200 4.003 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.295 -7.700 3.828 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.619 -9.084 2.757 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.186 -7.314 -0.641 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.378 -6.814 -1.717 1.00 0.19 C ATOM 1461 C GLY A 122 -1.094 -5.699 -2.429 1.00 0.16 C ATOM 1462 O GLY A 122 -0.492 -4.703 -2.769 1.00 0.14 O ATOM 0 H GLY A 122 -1.429 -8.302 -0.706 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.575 -6.455 -1.329 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.154 -7.618 -2.418 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.396 -5.874 -2.629 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.243 -4.894 -3.293 1.00 0.19 C ATOM 1468 C ASP A 123 -3.391 -3.650 -2.425 1.00 0.13 C ATOM 1469 O ASP A 123 -3.328 -2.531 -2.914 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.601 -5.545 -3.563 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.624 -4.613 -4.156 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.486 -4.281 -5.343 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.532 -4.163 -3.426 1.00 1.07 O ATOM 0 H ASP A 123 -2.897 -6.711 -2.330 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.796 -4.580 -4.236 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.459 -6.389 -4.239 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -4.991 -5.947 -2.628 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.595 -3.872 -1.132 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.564 -2.813 -0.131 1.00 0.10 C ATOM 1480 C ILE A 124 -2.287 -1.999 -0.252 1.00 0.09 C ATOM 1481 O ILE A 124 -2.318 -0.787 -0.493 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.689 -3.413 1.291 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.158 -3.614 1.646 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.015 -2.532 2.339 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.361 -4.432 2.901 1.00 0.22 C ATOM 0 H ILE A 124 -3.788 -4.797 -0.747 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.411 -2.150 -0.305 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.179 -4.376 1.290 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.631 -2.640 1.774 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.662 -4.106 0.814 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.125 -2.988 3.323 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -1.956 -2.431 2.102 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.482 -1.547 2.341 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.428 -4.538 3.098 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.917 -5.418 2.768 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -4.885 -3.930 3.743 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.170 -2.667 -0.093 1.00 0.08 N ATOM 1498 CA LEU A 125 0.109 -2.031 -0.234 1.00 0.08 C ATOM 1499 C LEU A 125 0.285 -1.457 -1.625 1.00 0.09 C ATOM 1500 O LEU A 125 0.778 -0.351 -1.775 1.00 0.10 O ATOM 1501 CB LEU A 125 1.199 -3.025 0.103 1.00 0.08 C ATOM 1502 CG LEU A 125 1.607 -2.985 1.560 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.489 -4.166 1.905 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.318 -1.675 1.839 1.00 0.09 C ATOM 0 H LEU A 125 -1.126 -3.660 0.136 1.00 0.08 H new ATOM 0 HA LEU A 125 0.172 -1.193 0.460 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.856 -4.030 -0.145 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.072 -2.823 -0.518 1.00 0.08 H new ATOM 0 HG LEU A 125 0.717 -3.050 2.187 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.769 -4.116 2.957 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.946 -5.092 1.718 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.388 -4.141 1.288 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.615 -1.638 2.887 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.203 -1.600 1.208 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.647 -0.844 1.623 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.174 -2.181 -2.624 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.051 -1.744 -3.998 1.00 0.10 C ATOM 1518 C TRP A 126 -0.816 -0.452 -4.207 1.00 0.11 C ATOM 1519 O TRP A 126 -0.345 0.453 -4.892 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.568 -2.803 -4.969 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.777 -2.233 -6.325 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.959 -1.821 -6.859 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.237 -1.951 -7.287 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.737 -1.294 -8.114 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.392 -1.366 -8.395 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.621 -2.140 -7.314 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.323 -0.963 -9.521 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.325 -1.741 -8.430 1.00 0.22 C ATOM 1529 CH2 TRP A 126 1.677 -1.156 -9.520 1.00 0.25 C ATOM 0 H TRP A 126 -0.639 -3.081 -2.508 1.00 0.09 H new ATOM 0 HA TRP A 126 1.008 -1.581 -4.198 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.143 -3.628 -5.024 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.506 -3.215 -4.596 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.922 -1.895 -6.375 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.453 -0.913 -8.733 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.130 -2.591 -6.475 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 -0.176 -0.513 -10.367 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.395 -1.883 -8.462 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.256 -0.850 -10.379 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.004 -0.380 -3.631 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.791 0.826 -3.696 1.00 0.12 C ATOM 1542 C GLU A 127 -1.967 1.991 -3.205 1.00 0.12 C ATOM 1543 O GLU A 127 -1.725 2.928 -3.947 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.056 0.710 -2.863 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.326 0.953 -3.653 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.569 -0.033 -4.777 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.687 -0.157 -5.651 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.602 -0.731 -4.758 1.00 1.43 O ATOM 0 H GLU A 127 -2.439 -1.145 -3.115 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.084 0.985 -4.734 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.099 -0.284 -2.419 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.007 1.424 -2.041 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -6.175 0.921 -2.970 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -5.291 1.959 -4.071 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.506 1.923 -1.961 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.686 3.002 -1.432 1.00 0.11 C ATOM 1557 C HIS A 128 0.586 3.144 -2.249 1.00 0.10 C ATOM 1558 O HIS A 128 1.067 4.248 -2.399 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.349 2.824 0.054 1.00 0.11 C ATOM 1560 CG HIS A 128 0.141 4.097 0.707 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.623 4.156 2.002 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.194 5.372 0.239 1.00 0.14 C ATOM 1563 CE1 HIS A 128 0.945 5.410 2.295 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.696 6.161 1.243 1.00 0.15 N ATOM 0 H HIS A 128 -1.681 1.153 -1.316 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.276 3.915 -1.512 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.235 2.470 0.581 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.414 2.052 0.158 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.105 5.704 -0.744 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.344 5.756 3.237 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.851 7.167 1.184 1.00 0.15 H new ATOM 1573 N LEU A 129 1.118 2.045 -2.783 1.00 0.10 N ATOM 1574 CA LEU A 129 2.253 2.112 -3.692 1.00 0.12 C ATOM 1575 C LEU A 129 1.928 3.060 -4.811 1.00 0.15 C ATOM 1576 O LEU A 129 2.683 3.989 -5.101 1.00 0.18 O ATOM 1577 CB LEU A 129 2.588 0.718 -4.250 1.00 0.11 C ATOM 1578 CG LEU A 129 3.678 0.668 -5.321 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.769 1.677 -5.020 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.282 -0.718 -5.375 1.00 0.13 C ATOM 0 H LEU A 129 0.779 1.101 -2.600 1.00 0.10 H new ATOM 0 HA LEU A 129 3.127 2.472 -3.149 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.892 0.080 -3.420 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.678 0.287 -4.666 1.00 0.11 H new ATOM 0 HG LEU A 129 3.226 0.911 -6.283 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.535 1.626 -5.794 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.342 2.679 -4.998 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.216 1.452 -4.051 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.058 -0.747 -6.140 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.718 -0.963 -4.406 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.506 -1.444 -5.618 1.00 0.13 H new ATOM 1592 N GLU A 130 0.786 2.836 -5.413 1.00 0.17 N ATOM 1593 CA GLU A 130 0.309 3.713 -6.430 1.00 0.23 C ATOM 1594 C GLU A 130 0.097 5.098 -5.861 1.00 0.25 C ATOM 1595 O GLU A 130 0.607 6.069 -6.390 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.989 3.178 -7.033 1.00 0.27 C ATOM 1597 CG GLU A 130 -0.795 2.337 -8.278 1.00 0.69 C ATOM 1598 CD GLU A 130 -0.321 3.158 -9.455 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -1.058 4.062 -9.887 1.00 1.73 O ATOM 1600 OE2 GLU A 130 0.801 2.898 -9.956 1.00 1.80 O ATOM 0 H GLU A 130 0.173 2.047 -5.208 1.00 0.17 H new ATOM 0 HA GLU A 130 1.055 3.770 -7.222 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -1.506 2.581 -6.282 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.638 4.020 -7.274 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -0.071 1.549 -8.072 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -1.735 1.848 -8.534 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.622 5.166 -4.753 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.960 6.427 -4.105 1.00 0.21 C ATOM 1609 C ILE A 131 0.288 7.294 -3.872 1.00 0.22 C ATOM 1610 O ILE A 131 0.249 8.496 -4.105 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.687 6.164 -2.772 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.206 6.013 -2.958 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.429 7.290 -1.786 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.639 5.056 -4.043 1.00 0.23 C ATOM 0 H ILE A 131 -0.991 4.345 -4.273 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.626 6.976 -4.771 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.288 5.227 -2.384 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.638 5.683 -2.014 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.627 6.995 -3.175 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.952 7.083 -0.852 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.359 7.367 -1.593 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.791 8.230 -2.204 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.728 5.026 -4.088 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.245 5.391 -5.002 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.257 4.059 -3.823 1.00 0.23 H new ATOM 1626 N LEU A 132 1.389 6.670 -3.436 1.00 0.18 N ATOM 1627 CA LEU A 132 2.665 7.383 -3.230 1.00 0.20 C ATOM 1628 C LEU A 132 3.028 8.129 -4.489 1.00 0.25 C ATOM 1629 O LEU A 132 3.532 9.252 -4.464 1.00 0.29 O ATOM 1630 CB LEU A 132 3.812 6.422 -2.934 1.00 0.21 C ATOM 1631 CG LEU A 132 3.519 5.343 -1.918 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.430 4.156 -2.166 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.701 5.860 -0.492 1.00 0.25 C ATOM 0 H LEU A 132 1.427 5.674 -3.218 1.00 0.18 H new ATOM 0 HA LEU A 132 2.526 8.054 -2.383 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.111 5.945 -3.867 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.666 7.002 -2.584 1.00 0.21 H new ATOM 0 HG LEU A 132 2.479 5.036 -2.029 1.00 0.21 H new ATOM 0 HD11 LEU A 132 4.220 3.377 -1.434 1.00 0.23 H new ATOM 0 HD12 LEU A 132 4.256 3.767 -3.169 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.470 4.470 -2.073 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.483 5.060 0.216 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.729 6.195 -0.355 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.021 6.694 -0.318 1.00 0.25 H new ATOM 1645 N GLN A 133 2.760 7.462 -5.592 1.00 0.28 N ATOM 1646 CA GLN A 133 2.969 8.027 -6.892 1.00 0.38 C ATOM 1647 C GLN A 133 1.951 9.132 -7.104 1.00 0.37 C ATOM 1648 O GLN A 133 2.334 10.260 -7.379 1.00 0.47 O ATOM 1649 CB GLN A 133 2.867 6.938 -7.969 1.00 0.58 C ATOM 1650 CG GLN A 133 4.003 5.923 -7.908 1.00 0.79 C ATOM 1651 CD GLN A 133 3.646 4.590 -8.538 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.793 4.397 -9.744 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.222 3.646 -7.710 1.00 0.31 N ATOM 0 H GLN A 133 2.391 6.511 -5.603 1.00 0.28 H new ATOM 0 HA GLN A 133 3.970 8.452 -6.967 1.00 0.38 H new ATOM 0 HB2 GLN A 133 1.916 6.416 -7.860 1.00 0.58 H new ATOM 0 HB3 GLN A 133 2.861 7.408 -8.952 1.00 0.58 H new ATOM 0 HG2 GLN A 133 4.877 6.334 -8.413 1.00 0.79 H new ATOM 0 HG3 GLN A 133 4.283 5.762 -6.867 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.114 3.850 -6.716 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.003 2.716 -8.066 1.00 0.31 H new