USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 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 180:sc= 0.13 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -1.52 X(o=-1.4,f=-1.1) USER MOD Set 2.1: A 57 THR OG1 : rot 91:sc= -0.153 USER MOD Set 2.2: A 128 HIS :FLIP no HD1:sc= -2.7 F(o=-3.9!,f=-2.9) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -155:sc= -8.84! (180deg=-11.4!) 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) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.833 (180deg=0.819) USER MOD Single : A 52 THR OG1 : rot 121:sc= 1.3 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= -0.0768 (180deg=-0.444) USER MOD Single : A 60 GLN : amide:sc= -3.25! C(o=-3.3!,f=-4.1!) USER MOD Single : A 61 GLN : amide:sc= 1.15 K(o=1.1,f=-0.047) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.031) USER MOD Single : A 71 GLN :FLIP amide:sc= -10.1! C(o=-12!,f=-10!) USER MOD Single : A 75 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 82 MET CE :methyl -144:sc= -0.322 (180deg=-0.737) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.16 F(o=-1.8,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 130:sc= -0.0519 (180deg=-0.398) USER MOD Single : A 96 GLN : amide:sc= -0.696 X(o=-0.7,f=-0.34) USER MOD Single : A 97 LYS NZ :NH3+ -116:sc= -0.125 (180deg=-1.86!) USER MOD Single : A 99 CYS SG : rot 24:sc= -1.78! USER MOD Single : A 100 MET CE :methyl -114:sc= -1.53 (180deg=-2.89!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -19:sc= -1.56! USER MOD Single : A 110 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0107) USER MOD Single : A 112 CYS SG : rot 106:sc= -0.0018 USER MOD Single : A 133 GLN : amide:sc= -3.13 K(o=-3.1,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.410 -2.036 2.183 1.00 0.41 N ATOM 224 CA MET A 44 -12.690 -1.879 3.437 1.00 0.41 C ATOM 225 C MET A 44 -11.449 -1.021 3.239 1.00 0.31 C ATOM 226 O MET A 44 -11.252 -0.051 3.957 1.00 0.28 O ATOM 227 CB MET A 44 -12.312 -3.243 4.020 1.00 0.50 C ATOM 228 CG MET A 44 -13.457 -3.928 4.751 1.00 0.82 C ATOM 229 SD MET A 44 -14.947 -4.069 3.744 1.00 1.59 S ATOM 230 CE MET A 44 -16.074 -4.814 4.917 1.00 1.62 C ATOM 0 HA MET A 44 -13.347 -1.375 4.145 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.966 -3.891 3.214 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.476 -3.116 4.708 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.139 -4.923 5.062 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.689 -3.369 5.658 1.00 0.82 H new ATOM 0 HE1 MET A 44 -17.044 -4.966 4.444 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.676 -5.774 5.245 1.00 1.62 H new ATOM 0 HE3 MET A 44 -16.190 -4.156 5.778 1.00 1.62 H new ATOM 240 N MET A 45 -10.615 -1.370 2.266 1.00 0.28 N ATOM 241 CA MET A 45 -9.440 -0.554 1.966 1.00 0.22 C ATOM 242 C MET A 45 -9.845 0.800 1.396 1.00 0.20 C ATOM 243 O MET A 45 -9.154 1.792 1.592 1.00 0.20 O ATOM 244 CB MET A 45 -8.493 -1.258 0.994 1.00 0.24 C ATOM 245 CG MET A 45 -9.042 -1.391 -0.413 1.00 0.32 C ATOM 246 SD MET A 45 -8.112 -2.546 -1.430 1.00 0.98 S ATOM 247 CE MET A 45 -6.466 -1.888 -1.243 1.00 0.22 C ATOM 0 H MET A 45 -10.725 -2.197 1.679 1.00 0.28 H new ATOM 0 HA MET A 45 -8.913 -0.402 2.908 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.553 -0.708 0.956 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.265 -2.252 1.380 1.00 0.24 H new ATOM 0 HG2 MET A 45 -10.081 -1.717 -0.361 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.039 -0.412 -0.891 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.861 -2.171 -2.105 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.514 -0.801 -1.174 1.00 0.22 H new ATOM 0 HE3 MET A 45 -6.015 -2.289 -0.336 1.00 0.22 H new ATOM 257 N SER A 46 -10.946 0.835 0.671 1.00 0.24 N ATOM 258 CA SER A 46 -11.454 2.077 0.126 1.00 0.30 C ATOM 259 C SER A 46 -11.686 3.090 1.247 1.00 0.27 C ATOM 260 O SER A 46 -11.265 4.243 1.154 1.00 0.30 O ATOM 261 CB SER A 46 -12.741 1.807 -0.656 1.00 0.39 C ATOM 262 OG SER A 46 -13.016 2.855 -1.573 1.00 0.53 O ATOM 0 H SER A 46 -11.507 0.014 0.446 1.00 0.24 H new ATOM 0 HA SER A 46 -10.720 2.502 -0.558 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.651 0.864 -1.195 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.575 1.699 0.038 1.00 0.39 H new ATOM 0 HG SER A 46 -13.843 2.655 -2.060 1.00 0.53 H new ATOM 268 N GLN A 47 -12.350 2.665 2.307 1.00 0.25 N ATOM 269 CA GLN A 47 -12.508 3.524 3.468 1.00 0.27 C ATOM 270 C GLN A 47 -11.226 3.594 4.307 1.00 0.24 C ATOM 271 O GLN A 47 -10.735 4.679 4.601 1.00 0.29 O ATOM 272 CB GLN A 47 -13.709 3.092 4.320 1.00 0.30 C ATOM 273 CG GLN A 47 -13.717 1.621 4.697 1.00 0.33 C ATOM 274 CD GLN A 47 -14.939 1.233 5.501 1.00 0.43 C ATOM 275 OE1 GLN A 47 -14.927 1.280 6.730 1.00 1.10 O ATOM 276 NE2 GLN A 47 -16.005 0.852 4.815 1.00 1.11 N ATOM 0 H GLN A 47 -12.783 1.745 2.389 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.705 4.531 3.099 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.724 3.688 5.232 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.625 3.319 3.775 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.676 1.017 3.790 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.820 1.392 5.273 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -15.973 0.827 3.796 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.858 0.584 5.306 1.00 1.11 H new ATOM 285 N ALA A 48 -10.676 2.438 4.672 1.00 0.21 N ATOM 286 CA ALA A 48 -9.540 2.380 5.592 1.00 0.22 C ATOM 287 C ALA A 48 -8.255 2.916 4.977 1.00 0.20 C ATOM 288 O ALA A 48 -7.626 3.808 5.541 1.00 0.22 O ATOM 289 CB ALA A 48 -9.314 0.958 6.086 1.00 0.24 C ATOM 0 H ALA A 48 -10.998 1.527 4.345 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.797 3.024 6.433 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.464 0.941 6.768 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.205 0.608 6.607 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.111 0.306 5.237 1.00 0.24 H new ATOM 295 N LEU A 49 -7.868 2.392 3.816 1.00 0.18 N ATOM 296 CA LEU A 49 -6.585 2.737 3.210 1.00 0.18 C ATOM 297 C LEU A 49 -6.610 4.136 2.650 1.00 0.19 C ATOM 298 O LEU A 49 -5.763 4.965 2.966 1.00 0.21 O ATOM 299 CB LEU A 49 -6.254 1.800 2.046 1.00 0.23 C ATOM 300 CG LEU A 49 -5.095 0.845 2.267 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.806 0.130 0.972 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.854 1.569 2.777 1.00 0.58 C ATOM 0 H LEU A 49 -8.424 1.728 3.277 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.838 2.649 3.999 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.143 1.213 1.814 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -6.035 2.408 1.168 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.373 0.123 3.035 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.975 -0.560 1.115 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.690 -0.426 0.658 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.544 0.859 0.205 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.047 0.850 2.922 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.545 2.319 2.049 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.081 2.056 3.725 1.00 0.58 H new ATOM 314 N LYS A 50 -7.574 4.374 1.785 1.00 0.19 N ATOM 315 CA LYS A 50 -7.623 5.604 1.032 1.00 0.21 C ATOM 316 C LYS A 50 -7.704 6.821 1.961 1.00 0.23 C ATOM 317 O LYS A 50 -7.260 7.915 1.608 1.00 0.27 O ATOM 318 CB LYS A 50 -8.786 5.559 0.042 1.00 0.22 C ATOM 319 CG LYS A 50 -8.833 4.265 -0.760 1.00 0.20 C ATOM 320 CD LYS A 50 -7.531 4.016 -1.515 1.00 0.21 C ATOM 321 CE LYS A 50 -7.307 5.045 -2.613 1.00 0.24 C ATOM 322 NZ LYS A 50 -8.195 4.815 -3.782 1.00 0.55 N ATOM 0 H LYS A 50 -8.337 3.726 1.587 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.699 5.708 0.464 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.724 5.678 0.585 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.706 6.403 -0.644 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -9.029 3.429 -0.089 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.661 4.306 -1.468 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.695 4.043 -0.816 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.550 3.017 -1.951 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.484 6.044 -2.215 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.266 5.010 -2.936 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -8.046 5.567 -4.485 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.974 3.893 -4.210 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -9.187 4.824 -3.471 1.00 0.55 H new ATOM 336 N ALA A 51 -8.278 6.619 3.141 1.00 0.22 N ATOM 337 CA ALA A 51 -8.310 7.650 4.174 1.00 0.23 C ATOM 338 C ALA A 51 -6.987 7.742 4.942 1.00 0.23 C ATOM 339 O ALA A 51 -6.511 8.835 5.241 1.00 0.26 O ATOM 340 CB ALA A 51 -9.455 7.404 5.140 1.00 0.25 C ATOM 0 H ALA A 51 -8.731 5.745 3.408 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.464 8.603 3.667 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.462 8.183 5.902 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.400 7.420 4.596 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.327 6.432 5.616 1.00 0.25 H new ATOM 346 N THR A 52 -6.391 6.588 5.247 1.00 0.21 N ATOM 347 CA THR A 52 -5.267 6.518 6.187 1.00 0.22 C ATOM 348 C THR A 52 -3.975 7.094 5.613 1.00 0.21 C ATOM 349 O THR A 52 -3.032 7.359 6.357 1.00 0.23 O ATOM 350 CB THR A 52 -5.011 5.057 6.649 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.070 5.030 7.730 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.486 4.192 5.506 1.00 0.18 C ATOM 0 H THR A 52 -6.667 5.687 4.857 1.00 0.21 H new ATOM 0 HA THR A 52 -5.558 7.130 7.041 1.00 0.22 H new ATOM 0 HB THR A 52 -5.966 4.651 6.983 1.00 0.22 H new ATOM 0 HG1 THR A 52 -4.482 4.606 8.512 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.318 3.177 5.865 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.217 4.175 4.698 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.547 4.606 5.138 1.00 0.18 H new ATOM 360 N PHE A 53 -3.950 7.334 4.307 1.00 0.23 N ATOM 361 CA PHE A 53 -2.707 7.650 3.608 1.00 0.27 C ATOM 362 C PHE A 53 -1.931 8.803 4.237 1.00 0.32 C ATOM 363 O PHE A 53 -0.698 8.811 4.203 1.00 0.34 O ATOM 364 CB PHE A 53 -2.970 7.974 2.143 1.00 0.31 C ATOM 365 CG PHE A 53 -3.447 6.802 1.346 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.888 5.551 1.529 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.451 6.953 0.414 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.322 4.471 0.790 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.887 5.878 -0.327 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.323 4.635 -0.139 1.00 0.38 C ATOM 0 H PHE A 53 -4.776 7.316 3.709 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.093 6.753 3.692 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.713 8.770 2.083 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -2.054 8.359 1.695 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.103 5.418 2.259 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.900 7.924 0.264 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.877 3.498 0.940 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.672 6.009 -1.057 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.666 3.791 -0.720 1.00 0.38 H new ATOM 380 N SER A 54 -2.645 9.753 4.824 1.00 0.36 N ATOM 381 CA SER A 54 -2.020 10.935 5.395 1.00 0.44 C ATOM 382 C SER A 54 -1.050 10.566 6.517 1.00 0.39 C ATOM 383 O SER A 54 -0.133 11.325 6.829 1.00 0.46 O ATOM 384 CB SER A 54 -3.095 11.886 5.916 1.00 0.55 C ATOM 385 OG SER A 54 -3.966 11.229 6.825 1.00 1.37 O ATOM 0 H SER A 54 -3.660 9.727 4.917 1.00 0.36 H new ATOM 0 HA SER A 54 -1.447 11.430 4.611 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.624 12.736 6.410 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.670 12.282 5.079 1.00 0.55 H new ATOM 0 HG SER A 54 -4.643 11.861 7.144 1.00 1.37 H new ATOM 391 N GLY A 55 -1.271 9.401 7.117 1.00 0.31 N ATOM 392 CA GLY A 55 -0.424 8.924 8.191 1.00 0.28 C ATOM 393 C GLY A 55 1.035 8.767 7.797 1.00 0.22 C ATOM 394 O GLY A 55 1.901 9.483 8.305 1.00 0.25 O ATOM 0 H GLY A 55 -2.035 8.771 6.872 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.492 9.617 9.030 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.802 7.963 8.540 1.00 0.28 H new ATOM 398 N PHE A 56 1.313 7.846 6.880 1.00 0.15 N ATOM 399 CA PHE A 56 2.696 7.500 6.559 1.00 0.12 C ATOM 400 C PHE A 56 3.327 8.536 5.663 1.00 0.13 C ATOM 401 O PHE A 56 4.423 8.974 5.921 1.00 0.17 O ATOM 402 CB PHE A 56 2.809 6.140 5.880 1.00 0.13 C ATOM 403 CG PHE A 56 4.234 5.738 5.628 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.045 5.318 6.668 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.750 5.753 4.343 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.347 4.922 6.432 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.053 5.362 4.101 1.00 0.26 C ATOM 408 CZ PHE A 56 6.885 5.044 5.179 1.00 0.28 C ATOM 0 H PHE A 56 0.610 7.330 6.351 1.00 0.15 H new ATOM 0 HA PHE A 56 3.224 7.463 7.512 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.327 5.386 6.502 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.269 6.164 4.933 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.655 5.300 7.675 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.127 6.074 3.521 1.00 0.20 H new ATOM 0 HE1 PHE A 56 6.941 4.516 7.237 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.425 5.303 3.089 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.944 4.896 5.024 1.00 0.28 H new ATOM 418 N THR A 57 2.613 8.929 4.630 1.00 0.16 N ATOM 419 CA THR A 57 3.138 9.858 3.627 1.00 0.24 C ATOM 420 C THR A 57 3.665 11.148 4.275 1.00 0.26 C ATOM 421 O THR A 57 4.588 11.790 3.770 1.00 0.35 O ATOM 422 CB THR A 57 2.053 10.219 2.606 1.00 0.32 C ATOM 423 OG1 THR A 57 1.494 9.022 2.036 1.00 0.39 O ATOM 424 CG2 THR A 57 2.625 11.095 1.499 1.00 0.46 C ATOM 0 H THR A 57 1.657 8.621 4.454 1.00 0.16 H new ATOM 0 HA THR A 57 3.964 9.355 3.124 1.00 0.24 H new ATOM 0 HB THR A 57 1.269 10.774 3.121 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.721 8.737 2.567 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.838 11.339 0.785 1.00 0.46 H new ATOM 0 HG22 THR A 57 3.022 12.014 1.931 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.425 10.559 0.988 1.00 0.46 H new ATOM 432 N LYS A 58 3.109 11.478 5.433 1.00 0.24 N ATOM 433 CA LYS A 58 3.465 12.704 6.136 1.00 0.31 C ATOM 434 C LYS A 58 4.761 12.476 6.893 1.00 0.29 C ATOM 435 O LYS A 58 5.655 13.320 6.932 1.00 0.31 O ATOM 436 CB LYS A 58 2.356 13.102 7.112 1.00 0.39 C ATOM 437 CG LYS A 58 2.668 14.342 7.932 1.00 0.50 C ATOM 438 CD LYS A 58 2.737 15.589 7.070 1.00 1.34 C ATOM 439 CE LYS A 58 3.025 16.821 7.910 1.00 1.93 C ATOM 440 NZ LYS A 58 2.043 16.978 9.016 1.00 2.52 N ATOM 0 H LYS A 58 2.406 10.911 5.908 1.00 0.24 H new ATOM 0 HA LYS A 58 3.592 13.511 5.414 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.437 13.272 6.551 1.00 0.39 H new ATOM 0 HB3 LYS A 58 2.167 12.269 7.790 1.00 0.39 H new ATOM 0 HG2 LYS A 58 1.904 14.472 8.698 1.00 0.50 H new ATOM 0 HG3 LYS A 58 3.618 14.205 8.449 1.00 0.50 H new ATOM 0 HD2 LYS A 58 3.514 15.470 6.315 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.794 15.720 6.539 1.00 1.34 H new ATOM 0 HE2 LYS A 58 4.031 16.751 8.324 1.00 1.93 H new ATOM 0 HE3 LYS A 58 3.002 17.707 7.275 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 2.109 17.940 9.404 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 1.082 16.816 8.653 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 2.251 16.287 9.765 1.00 2.52 H new ATOM 454 N GLU A 59 4.843 11.292 7.468 1.00 0.26 N ATOM 455 CA GLU A 59 5.955 10.895 8.302 1.00 0.25 C ATOM 456 C GLU A 59 7.105 10.378 7.443 1.00 0.21 C ATOM 457 O GLU A 59 8.265 10.508 7.794 1.00 0.24 O ATOM 458 CB GLU A 59 5.472 9.833 9.276 1.00 0.31 C ATOM 459 CG GLU A 59 6.551 8.923 9.761 1.00 0.43 C ATOM 460 CD GLU A 59 6.979 9.264 11.173 1.00 0.76 C ATOM 461 OE1 GLU A 59 7.569 10.347 11.373 1.00 0.98 O ATOM 462 OE2 GLU A 59 6.711 8.464 12.091 1.00 0.97 O ATOM 0 H GLU A 59 4.129 10.571 7.366 1.00 0.26 H new ATOM 0 HA GLU A 59 6.329 11.752 8.862 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.011 10.323 10.133 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.697 9.237 8.794 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.200 7.892 9.726 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.411 8.990 9.094 1.00 0.43 H new ATOM 469 N GLN A 60 6.746 9.786 6.323 1.00 0.19 N ATOM 470 CA GLN A 60 7.686 9.372 5.291 1.00 0.19 C ATOM 471 C GLN A 60 8.624 10.521 4.981 1.00 0.22 C ATOM 472 O GLN A 60 9.837 10.409 5.107 1.00 0.23 O ATOM 473 CB GLN A 60 6.878 8.993 4.054 1.00 0.21 C ATOM 474 CG GLN A 60 7.672 8.429 2.905 1.00 0.28 C ATOM 475 CD GLN A 60 6.768 8.062 1.752 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.620 7.668 1.947 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.263 8.225 0.550 1.00 0.26 N ATOM 0 H GLN A 60 5.775 9.573 6.096 1.00 0.19 H new ATOM 0 HA GLN A 60 8.282 8.521 5.620 1.00 0.19 H new ATOM 0 HB2 GLN A 60 6.124 8.262 4.345 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.346 9.878 3.705 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.410 9.160 2.575 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.222 7.548 3.236 1.00 0.28 H new ATOM 0 HE21 GLN A 60 8.221 8.554 0.433 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.690 8.023 -0.269 1.00 0.26 H new ATOM 486 N GLN A 61 8.023 11.650 4.668 1.00 0.28 N ATOM 487 CA GLN A 61 8.753 12.871 4.357 1.00 0.34 C ATOM 488 C GLN A 61 9.501 13.364 5.584 1.00 0.34 C ATOM 489 O GLN A 61 10.623 13.867 5.502 1.00 0.37 O ATOM 490 CB GLN A 61 7.756 13.920 3.907 1.00 0.45 C ATOM 491 CG GLN A 61 7.249 13.679 2.493 1.00 0.58 C ATOM 492 CD GLN A 61 6.090 14.571 2.111 1.00 0.77 C ATOM 493 OE1 GLN A 61 6.282 15.689 1.637 1.00 1.23 O ATOM 494 NE2 GLN A 61 4.883 14.065 2.286 1.00 1.12 N ATOM 0 H GLN A 61 7.009 11.752 4.621 1.00 0.28 H new ATOM 0 HA GLN A 61 9.479 12.677 3.568 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.911 13.931 4.595 1.00 0.45 H new ATOM 0 HB3 GLN A 61 8.222 14.904 3.959 1.00 0.45 H new ATOM 0 HG2 GLN A 61 8.067 13.837 1.790 1.00 0.58 H new ATOM 0 HG3 GLN A 61 6.943 12.637 2.397 1.00 0.58 H new ATOM 0 HE21 GLN A 61 4.774 13.132 2.683 1.00 1.12 H new ATOM 0 HE22 GLN A 61 4.060 14.607 2.024 1.00 1.12 H new ATOM 503 N ARG A 62 8.848 13.199 6.718 1.00 0.34 N ATOM 504 CA ARG A 62 9.381 13.590 8.011 1.00 0.39 C ATOM 505 C ARG A 62 10.670 12.832 8.319 1.00 0.36 C ATOM 506 O ARG A 62 11.684 13.428 8.680 1.00 0.41 O ATOM 507 CB ARG A 62 8.317 13.287 9.065 1.00 0.44 C ATOM 508 CG ARG A 62 8.716 13.588 10.501 1.00 0.58 C ATOM 509 CD ARG A 62 8.753 15.082 10.792 1.00 1.13 C ATOM 510 NE ARG A 62 9.730 15.791 9.968 1.00 1.93 N ATOM 511 CZ ARG A 62 9.830 17.115 9.912 1.00 2.74 C ATOM 512 NH1 ARG A 62 9.061 17.879 10.683 1.00 2.99 N ATOM 513 NH2 ARG A 62 10.709 17.673 9.091 1.00 3.73 N ATOM 0 H ARG A 62 7.918 12.783 6.769 1.00 0.34 H new ATOM 0 HA ARG A 62 9.623 14.653 8.010 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.421 13.860 8.827 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.049 12.233 8.994 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.012 13.106 11.179 1.00 0.58 H new ATOM 0 HG3 ARG A 62 9.697 13.157 10.701 1.00 0.58 H new ATOM 0 HD2 ARG A 62 7.763 15.506 10.622 1.00 1.13 H new ATOM 0 HD3 ARG A 62 8.990 15.238 11.845 1.00 1.13 H new ATOM 0 HE ARG A 62 10.373 15.237 9.403 1.00 1.93 H new ATOM 0 HH11 ARG A 62 8.391 17.449 11.321 1.00 2.99 H new ATOM 0 HH12 ARG A 62 9.141 18.895 10.637 1.00 2.99 H new ATOM 0 HH21 ARG A 62 11.304 17.087 8.506 1.00 3.73 H new ATOM 0 HH22 ARG A 62 10.790 18.689 9.044 1.00 3.73 H new ATOM 527 N LEU A 63 10.608 11.519 8.161 1.00 0.30 N ATOM 528 CA LEU A 63 11.736 10.631 8.406 1.00 0.32 C ATOM 529 C LEU A 63 12.808 10.758 7.336 1.00 0.31 C ATOM 530 O LEU A 63 13.810 10.045 7.368 1.00 0.37 O ATOM 531 CB LEU A 63 11.243 9.185 8.486 1.00 0.33 C ATOM 532 CG LEU A 63 10.260 8.908 9.622 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.567 7.569 9.422 1.00 1.01 C ATOM 534 CD2 LEU A 63 10.977 8.943 10.960 1.00 0.65 C ATOM 0 H LEU A 63 9.764 11.034 7.856 1.00 0.30 H new ATOM 0 HA LEU A 63 12.189 10.922 9.354 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.767 8.925 7.540 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.105 8.527 8.601 1.00 0.33 H new ATOM 0 HG LEU A 63 9.499 9.688 9.615 1.00 0.40 H new ATOM 0 HD11 LEU A 63 8.872 7.393 10.243 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.020 7.580 8.479 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.312 6.773 9.400 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.264 8.744 11.760 1.00 0.65 H new ATOM 0 HD22 LEU A 63 11.759 8.184 10.974 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.423 9.926 11.108 1.00 0.65 H new ATOM 546 N GLY A 64 12.606 11.665 6.395 1.00 0.28 N ATOM 547 CA GLY A 64 13.576 11.857 5.340 1.00 0.30 C ATOM 548 C GLY A 64 13.411 10.841 4.236 1.00 0.27 C ATOM 549 O GLY A 64 14.275 10.706 3.371 1.00 0.33 O ATOM 0 H GLY A 64 11.788 12.272 6.343 1.00 0.28 H new ATOM 0 HA2 GLY A 64 13.472 12.861 4.929 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.582 11.785 5.753 1.00 0.30 H new ATOM 553 N ILE A 65 12.302 10.120 4.265 1.00 0.22 N ATOM 554 CA ILE A 65 12.020 9.145 3.240 1.00 0.20 C ATOM 555 C ILE A 65 11.392 9.839 2.042 1.00 0.21 C ATOM 556 O ILE A 65 10.350 10.481 2.166 1.00 0.23 O ATOM 557 CB ILE A 65 11.071 8.023 3.721 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.614 7.356 4.987 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.873 6.986 2.618 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.778 6.183 5.454 1.00 0.20 C ATOM 0 H ILE A 65 11.587 10.196 4.989 1.00 0.22 H new ATOM 0 HA ILE A 65 12.969 8.681 2.973 1.00 0.20 H new ATOM 0 HB ILE A 65 10.106 8.471 3.958 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.633 7.016 4.801 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.666 8.096 5.785 1.00 0.20 H new ATOM 0 HG21 ILE A 65 10.203 6.202 2.971 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.439 7.466 1.741 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.835 6.548 2.353 1.00 0.19 H new ATOM 0 HD11 ILE A 65 11.220 5.757 6.355 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.765 6.522 5.671 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.747 5.424 4.672 1.00 0.20 H new ATOM 572 N PRO A 66 12.045 9.749 0.879 1.00 0.24 N ATOM 573 CA PRO A 66 11.522 10.288 -0.378 1.00 0.27 C ATOM 574 C PRO A 66 10.072 9.873 -0.608 1.00 0.22 C ATOM 575 O PRO A 66 9.712 8.724 -0.383 1.00 0.23 O ATOM 576 CB PRO A 66 12.421 9.647 -1.440 1.00 0.35 C ATOM 577 CG PRO A 66 13.293 8.667 -0.724 1.00 0.26 C ATOM 578 CD PRO A 66 13.357 9.126 0.694 1.00 0.31 C ATOM 0 HA PRO A 66 11.529 11.378 -0.393 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.824 9.149 -2.204 1.00 0.35 H new ATOM 0 HB3 PRO A 66 13.022 10.402 -1.947 1.00 0.35 H new ATOM 0 HG2 PRO A 66 12.882 7.660 -0.789 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.288 8.634 -1.168 1.00 0.26 H new ATOM 0 HD2 PRO A 66 13.514 8.296 1.383 1.00 0.31 H new ATOM 0 HD3 PRO A 66 14.170 9.834 0.856 1.00 0.31 H new ATOM 586 N LYS A 67 9.244 10.828 -1.027 1.00 0.25 N ATOM 587 CA LYS A 67 7.815 10.583 -1.242 1.00 0.27 C ATOM 588 C LYS A 67 7.570 9.559 -2.349 1.00 0.25 C ATOM 589 O LYS A 67 6.584 8.827 -2.315 1.00 0.36 O ATOM 590 CB LYS A 67 7.088 11.890 -1.572 1.00 0.43 C ATOM 591 CG LYS A 67 7.579 12.565 -2.845 1.00 1.04 C ATOM 592 CD LYS A 67 6.789 13.832 -3.147 1.00 1.15 C ATOM 593 CE LYS A 67 6.994 14.905 -2.082 1.00 1.67 C ATOM 594 NZ LYS A 67 8.370 15.472 -2.111 1.00 2.42 N ATOM 0 H LYS A 67 9.538 11.784 -1.226 1.00 0.25 H new ATOM 0 HA LYS A 67 7.417 10.173 -0.314 1.00 0.27 H new ATOM 0 HB2 LYS A 67 6.022 11.687 -1.669 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.206 12.581 -0.737 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.636 12.810 -2.743 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.491 11.872 -3.682 1.00 1.04 H new ATOM 0 HD2 LYS A 67 7.091 14.224 -4.118 1.00 1.15 H new ATOM 0 HD3 LYS A 67 5.729 13.589 -3.217 1.00 1.15 H new ATOM 0 HE2 LYS A 67 6.270 15.706 -2.232 1.00 1.67 H new ATOM 0 HE3 LYS A 67 6.799 14.479 -1.098 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 8.438 16.254 -1.429 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 9.056 14.732 -1.859 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 8.579 15.827 -3.066 1.00 2.42 H new ATOM 608 N ASP A 68 8.467 9.516 -3.320 1.00 0.28 N ATOM 609 CA ASP A 68 8.381 8.547 -4.405 1.00 0.28 C ATOM 610 C ASP A 68 8.879 7.205 -3.897 1.00 0.21 C ATOM 611 O ASP A 68 9.668 7.166 -2.969 1.00 0.23 O ATOM 612 CB ASP A 68 9.225 9.046 -5.588 1.00 0.39 C ATOM 613 CG ASP A 68 9.260 8.091 -6.761 1.00 1.12 C ATOM 614 OD1 ASP A 68 8.322 8.096 -7.580 1.00 1.65 O ATOM 615 OD2 ASP A 68 10.241 7.340 -6.877 1.00 1.88 O ATOM 0 H ASP A 68 9.268 10.144 -3.381 1.00 0.28 H new ATOM 0 HA ASP A 68 7.352 8.430 -4.745 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.831 10.005 -5.924 1.00 0.39 H new ATOM 0 HB3 ASP A 68 10.245 9.223 -5.245 1.00 0.39 H new ATOM 620 N PRO A 69 8.367 6.087 -4.422 1.00 0.19 N ATOM 621 CA PRO A 69 8.868 4.767 -4.077 1.00 0.20 C ATOM 622 C PRO A 69 9.972 4.271 -5.007 1.00 0.26 C ATOM 623 O PRO A 69 10.809 3.500 -4.583 1.00 0.65 O ATOM 624 CB PRO A 69 7.627 3.907 -4.215 1.00 0.40 C ATOM 625 CG PRO A 69 6.875 4.526 -5.338 1.00 0.37 C ATOM 626 CD PRO A 69 7.202 6.004 -5.314 1.00 0.22 C ATOM 0 HA PRO A 69 9.331 4.750 -3.090 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.884 2.870 -4.432 1.00 0.40 H new ATOM 0 HB3 PRO A 69 7.040 3.905 -3.296 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.164 4.081 -6.290 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.803 4.364 -5.223 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.433 6.380 -6.311 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.366 6.593 -4.937 1.00 0.22 H new ATOM 634 N ARG A 70 9.987 4.745 -6.256 1.00 0.20 N ATOM 635 CA ARG A 70 10.938 4.273 -7.291 1.00 0.26 C ATOM 636 C ARG A 70 12.420 4.425 -6.892 1.00 0.19 C ATOM 637 O ARG A 70 13.304 3.961 -7.613 1.00 0.27 O ATOM 638 CB ARG A 70 10.731 5.016 -8.619 1.00 0.46 C ATOM 639 CG ARG A 70 9.514 4.594 -9.431 1.00 0.96 C ATOM 640 CD ARG A 70 8.209 5.156 -8.883 1.00 0.87 C ATOM 641 NE ARG A 70 7.185 5.235 -9.928 1.00 1.06 N ATOM 642 CZ ARG A 70 6.472 6.333 -10.196 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.622 7.427 -9.467 1.00 1.89 N ATOM 644 NH2 ARG A 70 5.599 6.334 -11.195 1.00 1.79 N ATOM 0 H ARG A 70 9.345 5.465 -6.587 1.00 0.20 H new ATOM 0 HA ARG A 70 10.720 3.211 -7.400 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.652 6.083 -8.409 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.620 4.877 -9.234 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.640 4.923 -10.462 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.455 3.506 -9.449 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.853 4.526 -8.068 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.384 6.148 -8.466 1.00 0.87 H new ATOM 0 HE ARG A 70 7.005 4.400 -10.486 1.00 1.06 H new ATOM 0 HH11 ARG A 70 7.286 7.437 -8.693 1.00 1.89 H new ATOM 0 HH12 ARG A 70 6.073 8.260 -9.679 1.00 1.89 H new ATOM 0 HH21 ARG A 70 5.471 5.495 -11.761 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.056 7.174 -11.397 1.00 1.79 H new ATOM 658 N GLN A 71 12.695 5.064 -5.769 1.00 0.16 N ATOM 659 CA GLN A 71 14.080 5.298 -5.355 1.00 0.16 C ATOM 660 C GLN A 71 14.318 4.886 -3.897 1.00 0.15 C ATOM 661 O GLN A 71 15.325 5.257 -3.293 1.00 0.18 O ATOM 662 CB GLN A 71 14.463 6.775 -5.537 1.00 0.20 C ATOM 663 CG GLN A 71 14.064 7.645 -4.360 1.00 0.38 C ATOM 664 CD GLN A 71 12.572 7.683 -4.160 1.00 0.26 C ATOM 665 OE1 GLN A 71 12.032 6.639 -3.538 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.913 8.610 -4.605 1.00 0.29 N flip ATOM 0 H GLN A 71 11.990 5.430 -5.128 1.00 0.16 H new ATOM 0 HA GLN A 71 14.709 4.679 -5.994 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.540 6.849 -5.686 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.989 7.158 -6.441 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.541 7.269 -3.455 1.00 0.38 H new ATOM 0 HG3 GLN A 71 14.434 8.658 -4.518 1.00 0.38 H new ATOM 0 HE21 GLN A 71 12.378 9.387 -5.074 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.898 8.607 -4.508 1.00 0.29 H new ATOM 675 N TRP A 72 13.414 4.101 -3.335 1.00 0.12 N ATOM 676 CA TRP A 72 13.490 3.760 -1.923 1.00 0.11 C ATOM 677 C TRP A 72 14.560 2.715 -1.666 1.00 0.12 C ATOM 678 O TRP A 72 15.064 2.079 -2.587 1.00 0.14 O ATOM 679 CB TRP A 72 12.147 3.184 -1.461 1.00 0.11 C ATOM 680 CG TRP A 72 11.137 4.195 -1.033 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.337 5.517 -0.772 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.756 3.940 -0.788 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.153 6.100 -0.400 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.165 5.153 -0.404 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.959 2.803 -0.869 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.807 5.254 -0.101 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.620 2.904 -0.566 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.056 4.120 -0.191 1.00 0.10 C ATOM 0 H TRP A 72 12.623 3.690 -3.831 1.00 0.12 H new ATOM 0 HA TRP A 72 13.735 4.670 -1.375 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.724 2.593 -2.273 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.329 2.501 -0.631 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.285 6.029 -0.847 1.00 0.10 H new ATOM 0 HE1 TRP A 72 10.028 7.083 -0.159 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.384 1.855 -1.165 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.367 6.195 0.194 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.996 2.024 -0.620 1.00 0.10 H new ATOM 0 HH2 TRP A 72 6.001 4.166 0.034 1.00 0.10 H new ATOM 699 N THR A 73 14.968 2.611 -0.420 1.00 0.14 N ATOM 700 CA THR A 73 15.803 1.518 0.019 1.00 0.15 C ATOM 701 C THR A 73 14.925 0.359 0.455 1.00 0.15 C ATOM 702 O THR A 73 13.706 0.523 0.572 1.00 0.16 O ATOM 703 CB THR A 73 16.686 1.955 1.198 1.00 0.18 C ATOM 704 OG1 THR A 73 15.852 2.413 2.273 1.00 0.19 O ATOM 705 CG2 THR A 73 17.627 3.072 0.781 1.00 0.21 C ATOM 0 H THR A 73 14.731 3.279 0.313 1.00 0.14 H new ATOM 0 HA THR A 73 16.444 1.212 -0.808 1.00 0.15 H new ATOM 0 HB THR A 73 17.280 1.101 1.523 1.00 0.18 H new ATOM 0 HG1 THR A 73 16.413 2.691 3.027 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.243 3.366 1.631 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.269 2.724 -0.029 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.046 3.929 0.441 1.00 0.21 H new ATOM 713 N GLU A 74 15.519 -0.790 0.716 1.00 0.17 N ATOM 714 CA GLU A 74 14.757 -1.930 1.210 1.00 0.20 C ATOM 715 C GLU A 74 14.079 -1.596 2.547 1.00 0.19 C ATOM 716 O GLU A 74 13.023 -2.138 2.882 1.00 0.28 O ATOM 717 CB GLU A 74 15.643 -3.183 1.323 1.00 0.29 C ATOM 718 CG GLU A 74 17.103 -2.925 1.697 1.00 1.25 C ATOM 719 CD GLU A 74 17.276 -2.272 3.050 1.00 1.79 C ATOM 720 OE1 GLU A 74 17.357 -2.997 4.065 1.00 1.99 O ATOM 721 OE2 GLU A 74 17.343 -1.029 3.103 1.00 2.67 O ATOM 0 H GLU A 74 16.517 -0.962 0.597 1.00 0.17 H new ATOM 0 HA GLU A 74 13.972 -2.151 0.487 1.00 0.20 H new ATOM 0 HB2 GLU A 74 15.207 -3.849 2.068 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.618 -3.711 0.370 1.00 0.29 H new ATOM 0 HG2 GLU A 74 17.644 -3.871 1.688 1.00 1.25 H new ATOM 0 HG3 GLU A 74 17.557 -2.291 0.936 1.00 1.25 H new ATOM 728 N THR A 75 14.679 -0.676 3.291 1.00 0.18 N ATOM 729 CA THR A 75 14.130 -0.233 4.561 1.00 0.21 C ATOM 730 C THR A 75 12.963 0.727 4.343 1.00 0.17 C ATOM 731 O THR A 75 11.970 0.681 5.063 1.00 0.20 O ATOM 732 CB THR A 75 15.210 0.459 5.418 1.00 0.29 C ATOM 733 OG1 THR A 75 16.369 -0.383 5.510 1.00 0.47 O ATOM 734 CG2 THR A 75 14.692 0.758 6.818 1.00 0.47 C ATOM 0 H THR A 75 15.554 -0.220 3.032 1.00 0.18 H new ATOM 0 HA THR A 75 13.771 -1.117 5.089 1.00 0.21 H new ATOM 0 HB THR A 75 15.472 1.401 4.937 1.00 0.29 H new ATOM 0 HG1 THR A 75 16.838 -0.389 4.650 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.475 1.246 7.399 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.825 1.416 6.753 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.404 -0.173 7.306 1.00 0.47 H new ATOM 742 N HIS A 76 13.071 1.572 3.318 1.00 0.14 N ATOM 743 CA HIS A 76 12.046 2.581 3.049 1.00 0.12 C ATOM 744 C HIS A 76 10.789 1.923 2.489 1.00 0.10 C ATOM 745 O HIS A 76 9.664 2.274 2.857 1.00 0.10 O ATOM 746 CB HIS A 76 12.571 3.651 2.085 1.00 0.14 C ATOM 747 CG HIS A 76 13.580 4.576 2.699 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.492 5.310 1.964 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.805 4.900 3.994 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.231 6.037 2.781 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.833 5.808 4.016 1.00 0.19 N ATOM 0 H HIS A 76 13.853 1.579 2.663 1.00 0.14 H new ATOM 0 HA HIS A 76 11.793 3.071 3.989 1.00 0.12 H new ATOM 0 HB2 HIS A 76 13.020 3.160 1.222 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.730 4.239 1.716 1.00 0.14 H new ATOM 0 HD2 HIS A 76 13.273 4.515 4.851 1.00 0.16 H new ATOM 0 HE1 HIS A 76 16.027 6.706 2.487 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.226 6.237 4.854 1.00 0.19 H new ATOM 760 N VAL A 77 10.996 0.950 1.609 1.00 0.09 N ATOM 761 CA VAL A 77 9.908 0.196 1.034 1.00 0.07 C ATOM 762 C VAL A 77 9.192 -0.577 2.128 1.00 0.08 C ATOM 763 O VAL A 77 7.983 -0.462 2.283 1.00 0.08 O ATOM 764 CB VAL A 77 10.416 -0.772 -0.054 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.314 -1.726 -0.477 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.943 0.005 -1.259 1.00 0.08 C ATOM 0 H VAL A 77 11.920 0.669 1.281 1.00 0.09 H new ATOM 0 HA VAL A 77 9.214 0.893 0.565 1.00 0.07 H new ATOM 0 HB VAL A 77 11.235 -1.357 0.364 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.692 -2.401 -1.245 1.00 0.09 H new ATOM 0 HG12 VAL A 77 8.984 -2.306 0.385 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.474 -1.157 -0.875 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.297 -0.694 -2.016 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.143 0.617 -1.676 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.766 0.648 -0.946 1.00 0.08 H new ATOM 776 N ARG A 78 9.956 -1.324 2.920 1.00 0.09 N ATOM 777 CA ARG A 78 9.384 -2.122 4.001 1.00 0.11 C ATOM 778 C ARG A 78 8.696 -1.247 5.048 1.00 0.10 C ATOM 779 O ARG A 78 7.767 -1.696 5.716 1.00 0.14 O ATOM 780 CB ARG A 78 10.454 -2.991 4.657 1.00 0.18 C ATOM 781 CG ARG A 78 10.814 -4.215 3.828 1.00 0.37 C ATOM 782 CD ARG A 78 11.781 -5.133 4.560 1.00 0.40 C ATOM 783 NE ARG A 78 13.155 -4.628 4.550 1.00 1.11 N ATOM 784 CZ ARG A 78 14.194 -5.304 5.052 1.00 1.43 C ATOM 785 NH1 ARG A 78 13.995 -6.468 5.665 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.427 -4.816 4.956 1.00 2.21 N ATOM 0 H ARG A 78 10.970 -1.394 2.834 1.00 0.09 H new ATOM 0 HA ARG A 78 8.627 -2.770 3.559 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.350 -2.393 4.821 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.102 -3.313 5.637 1.00 0.18 H new ATOM 0 HG2 ARG A 78 9.906 -4.766 3.582 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.259 -3.897 2.885 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.450 -5.255 5.591 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.758 -6.121 4.099 1.00 0.40 H new ATOM 0 HE ARG A 78 13.329 -3.711 4.138 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.051 -6.844 5.752 1.00 1.57 H new ATOM 0 HH12 ARG A 78 14.787 -6.984 6.048 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.586 -3.919 4.497 1.00 2.21 H new ATOM 0 HH22 ARG A 78 16.214 -5.338 5.342 1.00 2.21 H new ATOM 800 N ASP A 79 9.151 -0.005 5.176 1.00 0.11 N ATOM 801 CA ASP A 79 8.529 0.967 6.074 1.00 0.12 C ATOM 802 C ASP A 79 7.083 1.182 5.676 1.00 0.11 C ATOM 803 O ASP A 79 6.145 0.959 6.455 1.00 0.12 O ATOM 804 CB ASP A 79 9.259 2.308 5.986 1.00 0.16 C ATOM 805 CG ASP A 79 9.657 2.848 7.345 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.944 2.565 8.335 1.00 1.05 O ATOM 807 OD2 ASP A 79 10.677 3.563 7.434 1.00 0.95 O ATOM 0 H ASP A 79 9.956 0.357 4.665 1.00 0.11 H new ATOM 0 HA ASP A 79 8.585 0.581 7.092 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.151 2.192 5.370 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.618 3.034 5.485 1.00 0.16 H new ATOM 812 N TRP A 80 6.913 1.560 4.424 1.00 0.10 N ATOM 813 CA TRP A 80 5.613 1.842 3.869 1.00 0.09 C ATOM 814 C TRP A 80 4.827 0.547 3.721 1.00 0.09 C ATOM 815 O TRP A 80 3.596 0.527 3.815 1.00 0.09 O ATOM 816 CB TRP A 80 5.842 2.524 2.527 1.00 0.09 C ATOM 817 CG TRP A 80 4.759 2.339 1.530 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.680 3.135 1.330 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.675 1.286 0.575 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.931 2.646 0.291 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.524 1.507 -0.184 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.472 0.180 0.290 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.147 0.660 -1.214 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.097 -0.664 -0.728 1.00 0.11 C ATOM 825 CH2 TRP A 80 3.943 -0.419 -1.474 1.00 0.10 C ATOM 0 H TRP A 80 7.681 1.679 3.763 1.00 0.10 H new ATOM 0 HA TRP A 80 5.028 2.495 4.517 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.977 3.592 2.699 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.773 2.149 2.102 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.446 4.020 1.902 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.072 3.063 -0.069 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.370 -0.011 0.859 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.254 0.847 -1.792 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.704 -1.529 -0.954 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.674 -1.095 -2.272 1.00 0.10 H new ATOM 836 N VAL A 81 5.576 -0.528 3.527 1.00 0.10 N ATOM 837 CA VAL A 81 5.025 -1.857 3.369 1.00 0.11 C ATOM 838 C VAL A 81 4.283 -2.271 4.635 1.00 0.11 C ATOM 839 O VAL A 81 3.090 -2.565 4.610 1.00 0.11 O ATOM 840 CB VAL A 81 6.162 -2.862 3.031 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.900 -4.254 3.577 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.379 -2.930 1.528 1.00 0.14 C ATOM 0 H VAL A 81 6.594 -0.497 3.475 1.00 0.10 H new ATOM 0 HA VAL A 81 4.311 -1.857 2.545 1.00 0.11 H new ATOM 0 HB VAL A 81 7.063 -2.489 3.518 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.727 -4.911 3.310 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.809 -4.208 4.662 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.975 -4.644 3.152 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.178 -3.638 1.307 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.460 -3.257 1.042 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.655 -1.944 1.155 1.00 0.14 H new ATOM 852 N MET A 82 4.985 -2.257 5.746 1.00 0.11 N ATOM 853 CA MET A 82 4.381 -2.629 7.010 1.00 0.12 C ATOM 854 C MET A 82 3.393 -1.580 7.498 1.00 0.11 C ATOM 855 O MET A 82 2.598 -1.864 8.383 1.00 0.12 O ATOM 856 CB MET A 82 5.436 -2.913 8.074 1.00 0.15 C ATOM 857 CG MET A 82 6.269 -1.702 8.460 1.00 0.13 C ATOM 858 SD MET A 82 7.649 -2.122 9.544 1.00 0.49 S ATOM 859 CE MET A 82 6.797 -2.976 10.869 1.00 0.42 C ATOM 0 H MET A 82 5.969 -1.994 5.803 1.00 0.11 H new ATOM 0 HA MET A 82 3.825 -3.550 6.833 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.943 -3.300 8.965 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.101 -3.697 7.711 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.653 -1.228 7.557 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.631 -0.971 8.957 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.279 -2.745 11.819 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.757 -2.652 10.901 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.837 -4.051 10.694 1.00 0.42 H new ATOM 869 N TRP A 83 3.425 -0.368 6.945 1.00 0.09 N ATOM 870 CA TRP A 83 2.510 0.662 7.414 1.00 0.09 C ATOM 871 C TRP A 83 1.071 0.366 6.996 1.00 0.09 C ATOM 872 O TRP A 83 0.192 0.251 7.843 1.00 0.11 O ATOM 873 CB TRP A 83 2.931 2.050 6.927 1.00 0.09 C ATOM 874 CG TRP A 83 1.975 3.112 7.339 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.935 3.764 8.532 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.905 3.637 6.552 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.911 4.675 8.533 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.260 4.614 7.327 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.439 3.378 5.262 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.830 5.330 6.851 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.644 4.089 4.793 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.265 5.055 5.584 1.00 0.15 C ATOM 0 H TRP A 83 4.055 -0.084 6.195 1.00 0.09 H new ATOM 0 HA TRP A 83 2.556 0.655 8.503 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.921 2.284 7.319 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.013 2.041 5.840 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.610 3.590 9.357 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.672 5.297 9.305 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.918 2.634 4.643 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.317 6.078 7.460 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.017 3.895 3.798 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.109 5.599 5.187 1.00 0.15 H new ATOM 893 N ALA A 84 0.811 0.234 5.705 1.00 0.09 N ATOM 894 CA ALA A 84 -0.547 -0.067 5.267 1.00 0.10 C ATOM 895 C ALA A 84 -0.985 -1.390 5.886 1.00 0.10 C ATOM 896 O ALA A 84 -2.138 -1.577 6.279 1.00 0.12 O ATOM 897 CB ALA A 84 -0.627 -0.122 3.752 1.00 0.12 C ATOM 0 H ALA A 84 1.500 0.327 4.958 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.219 0.725 5.598 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.650 -0.348 3.450 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.330 0.841 3.337 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.041 -0.899 3.380 1.00 0.12 H new ATOM 903 N VAL A 85 -0.014 -2.282 5.996 1.00 0.10 N ATOM 904 CA VAL A 85 -0.175 -3.555 6.671 1.00 0.11 C ATOM 905 C VAL A 85 -0.586 -3.396 8.142 1.00 0.13 C ATOM 906 O VAL A 85 -1.588 -3.968 8.569 1.00 0.14 O ATOM 907 CB VAL A 85 1.145 -4.359 6.547 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.310 -5.398 7.648 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.215 -5.021 5.185 1.00 0.14 C ATOM 0 H VAL A 85 0.920 -2.138 5.613 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.988 -4.097 6.188 1.00 0.11 H new ATOM 0 HB VAL A 85 1.966 -3.651 6.660 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.252 -5.929 7.509 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.313 -4.902 8.619 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.484 -6.108 7.606 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.144 -5.585 5.102 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.368 -5.697 5.065 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.183 -4.258 4.407 1.00 0.14 H new ATOM 919 N ASN A 86 0.166 -2.621 8.916 1.00 0.15 N ATOM 920 CA ASN A 86 -0.089 -2.513 10.351 1.00 0.19 C ATOM 921 C ASN A 86 -1.361 -1.724 10.649 1.00 0.23 C ATOM 922 O ASN A 86 -1.948 -1.870 11.718 1.00 0.27 O ATOM 923 CB ASN A 86 1.124 -1.961 11.117 1.00 0.23 C ATOM 924 CG ASN A 86 1.164 -0.447 11.299 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.653 0.292 10.338 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.672 0.051 12.306 1.00 0.32 N flip ATOM 0 H ASN A 86 0.950 -2.062 8.580 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.254 -3.527 10.715 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.150 -2.427 12.102 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.030 -2.269 10.595 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.059 -0.551 13.033 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.705 1.065 12.412 1.00 0.32 H new ATOM 933 N GLU A 87 -1.798 -0.913 9.692 1.00 0.24 N ATOM 934 CA GLU A 87 -3.017 -0.134 9.853 1.00 0.31 C ATOM 935 C GLU A 87 -4.196 -1.078 9.704 1.00 0.28 C ATOM 936 O GLU A 87 -5.184 -1.015 10.436 1.00 0.35 O ATOM 937 CB GLU A 87 -3.076 0.975 8.792 1.00 0.38 C ATOM 938 CG GLU A 87 -4.449 1.615 8.612 1.00 1.23 C ATOM 939 CD GLU A 87 -4.907 2.413 9.816 1.00 1.35 C ATOM 940 OE1 GLU A 87 -4.540 3.599 9.930 1.00 1.08 O ATOM 941 OE2 GLU A 87 -5.612 1.846 10.671 1.00 2.15 O ATOM 0 H GLU A 87 -1.326 -0.779 8.798 1.00 0.24 H new ATOM 0 HA GLU A 87 -3.041 0.341 10.834 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.360 1.753 9.059 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.755 0.561 7.836 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.425 2.269 7.740 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -5.181 0.834 8.404 1.00 1.23 H new ATOM 948 N PHE A 88 -4.046 -1.982 8.755 1.00 0.23 N ATOM 949 CA PHE A 88 -5.040 -2.995 8.481 1.00 0.23 C ATOM 950 C PHE A 88 -4.942 -4.167 9.441 1.00 0.25 C ATOM 951 O PHE A 88 -5.707 -5.127 9.341 1.00 0.30 O ATOM 952 CB PHE A 88 -4.858 -3.489 7.060 1.00 0.24 C ATOM 953 CG PHE A 88 -5.710 -2.750 6.084 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.012 -3.158 5.842 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.222 -1.643 5.420 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.810 -2.470 4.954 1.00 0.47 C ATOM 957 CE2 PHE A 88 -6.014 -0.956 4.532 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.310 -1.367 4.299 1.00 0.45 C ATOM 0 H PHE A 88 -3.226 -2.032 8.151 1.00 0.23 H new ATOM 0 HA PHE A 88 -6.025 -2.547 8.612 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.811 -3.386 6.774 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.098 -4.551 7.015 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.405 -4.024 6.354 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.209 -1.314 5.600 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.824 -2.795 4.772 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.621 -0.093 4.016 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.932 -0.824 3.603 1.00 0.45 H new ATOM 968 N SER A 89 -4.001 -4.072 10.378 1.00 0.27 N ATOM 969 CA SER A 89 -3.713 -5.156 11.306 1.00 0.34 C ATOM 970 C SER A 89 -3.436 -6.451 10.543 1.00 0.36 C ATOM 971 O SER A 89 -3.873 -7.529 10.946 1.00 0.48 O ATOM 972 CB SER A 89 -4.882 -5.341 12.280 1.00 0.45 C ATOM 973 OG SER A 89 -5.216 -4.114 12.911 1.00 1.07 O ATOM 0 H SER A 89 -3.421 -3.244 10.513 1.00 0.27 H new ATOM 0 HA SER A 89 -2.822 -4.901 11.879 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.749 -5.727 11.744 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.618 -6.082 13.034 1.00 0.45 H new ATOM 0 HG SER A 89 -5.965 -4.256 13.526 1.00 1.07 H new ATOM 979 N LEU A 90 -2.704 -6.335 9.436 1.00 0.31 N ATOM 980 CA LEU A 90 -2.399 -7.483 8.597 1.00 0.40 C ATOM 981 C LEU A 90 -1.407 -8.382 9.311 1.00 0.59 C ATOM 982 O LEU A 90 -1.551 -9.605 9.314 1.00 1.23 O ATOM 983 CB LEU A 90 -1.856 -7.004 7.247 1.00 0.33 C ATOM 984 CG LEU A 90 -2.776 -6.015 6.530 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.219 -5.634 5.176 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.172 -6.608 6.376 1.00 0.27 C ATOM 0 H LEU A 90 -2.313 -5.454 9.103 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.304 -8.061 8.409 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.884 -6.536 7.402 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.694 -7.868 6.603 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.838 -5.112 7.137 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.894 -4.930 4.690 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.241 -5.170 5.302 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.120 -6.527 4.559 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.816 -5.893 5.864 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.115 -7.527 5.793 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.585 -6.828 7.361 1.00 0.27 H new ATOM 998 N LYS A 91 -0.410 -7.742 9.917 1.00 0.24 N ATOM 999 CA LYS A 91 0.474 -8.365 10.907 1.00 0.39 C ATOM 1000 C LYS A 91 1.383 -9.465 10.354 1.00 0.26 C ATOM 1001 O LYS A 91 2.333 -9.855 11.032 1.00 0.39 O ATOM 1002 CB LYS A 91 -0.347 -8.946 12.063 1.00 0.78 C ATOM 1003 CG LYS A 91 -1.217 -7.935 12.789 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.391 -6.901 13.532 1.00 1.49 C ATOM 1005 CE LYS A 91 -1.266 -6.014 14.404 1.00 1.91 C ATOM 1006 NZ LYS A 91 -1.972 -6.788 15.462 1.00 2.48 N ATOM 0 H LYS A 91 -0.188 -6.763 9.734 1.00 0.24 H new ATOM 0 HA LYS A 91 1.126 -7.559 11.245 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.983 -9.742 11.676 1.00 0.78 H new ATOM 0 HB3 LYS A 91 0.334 -9.403 12.781 1.00 0.78 H new ATOM 0 HG2 LYS A 91 -1.865 -7.433 12.071 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -1.865 -8.455 13.494 1.00 1.31 H new ATOM 0 HD2 LYS A 91 0.352 -7.403 14.151 1.00 1.49 H new ATOM 0 HD3 LYS A 91 0.154 -6.286 12.816 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -0.651 -5.244 14.869 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -1.999 -5.503 13.780 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 -1.829 -6.327 16.383 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -2.989 -6.823 15.247 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -1.592 -7.756 15.496 1.00 2.48 H new ATOM 1020 N GLY A 92 1.150 -9.959 9.144 1.00 0.26 N ATOM 1021 CA GLY A 92 1.843 -11.156 8.711 1.00 0.31 C ATOM 1022 C GLY A 92 2.464 -10.993 7.345 1.00 0.31 C ATOM 1023 O GLY A 92 2.231 -11.795 6.442 1.00 0.47 O ATOM 0 H GLY A 92 0.503 -9.559 8.464 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.620 -11.406 9.434 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.144 -11.992 8.693 1.00 0.31 H new ATOM 1027 N VAL A 93 3.265 -9.952 7.199 1.00 0.21 N ATOM 1028 CA VAL A 93 3.942 -9.680 5.950 1.00 0.21 C ATOM 1029 C VAL A 93 5.300 -10.351 5.944 1.00 0.20 C ATOM 1030 O VAL A 93 6.032 -10.301 6.938 1.00 0.22 O ATOM 1031 CB VAL A 93 4.067 -8.154 5.707 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.487 -7.727 5.368 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.136 -7.754 4.586 1.00 0.23 C ATOM 0 H VAL A 93 3.461 -9.278 7.939 1.00 0.21 H new ATOM 0 HA VAL A 93 3.350 -10.091 5.132 1.00 0.21 H new ATOM 0 HB VAL A 93 3.795 -7.650 6.635 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.514 -6.649 5.208 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.152 -7.989 6.191 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.814 -8.237 4.461 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.219 -6.682 4.410 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.407 -8.293 3.678 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.110 -7.998 4.861 1.00 0.23 H new ATOM 1043 N ASP A 94 5.627 -11.006 4.843 1.00 0.21 N ATOM 1044 CA ASP A 94 6.935 -11.602 4.694 1.00 0.24 C ATOM 1045 C ASP A 94 7.891 -10.530 4.244 1.00 0.21 C ATOM 1046 O ASP A 94 7.996 -10.254 3.054 1.00 0.20 O ATOM 1047 CB ASP A 94 6.921 -12.743 3.672 1.00 0.32 C ATOM 1048 CG ASP A 94 6.157 -13.959 4.148 1.00 1.02 C ATOM 1049 OD1 ASP A 94 6.735 -14.774 4.894 1.00 1.10 O ATOM 1050 OD2 ASP A 94 4.968 -14.097 3.791 1.00 1.94 O ATOM 0 H ASP A 94 5.005 -11.136 4.045 1.00 0.21 H new ATOM 0 HA ASP A 94 7.244 -12.023 5.651 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.478 -12.384 2.743 1.00 0.32 H new ATOM 0 HB3 ASP A 94 7.947 -13.032 3.446 1.00 0.32 H new ATOM 1055 N PHE A 95 8.573 -9.910 5.194 1.00 0.23 N ATOM 1056 CA PHE A 95 9.457 -8.801 4.880 1.00 0.24 C ATOM 1057 C PHE A 95 10.556 -9.246 3.930 1.00 0.23 C ATOM 1058 O PHE A 95 11.149 -8.434 3.228 1.00 0.28 O ATOM 1059 CB PHE A 95 10.080 -8.214 6.144 1.00 0.29 C ATOM 1060 CG PHE A 95 9.116 -7.444 7.003 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.903 -6.095 6.782 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.433 -8.065 8.035 1.00 0.41 C ATOM 1063 CE1 PHE A 95 8.026 -5.380 7.573 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.554 -7.356 8.830 1.00 0.52 C ATOM 1065 CZ PHE A 95 7.350 -6.011 8.599 1.00 0.61 C ATOM 0 H PHE A 95 8.531 -10.155 6.183 1.00 0.23 H new ATOM 0 HA PHE A 95 8.856 -8.029 4.399 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.509 -9.024 6.734 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.902 -7.557 5.860 1.00 0.29 H new ATOM 0 HD1 PHE A 95 9.429 -5.596 5.982 1.00 0.55 H new ATOM 0 HD2 PHE A 95 8.590 -9.117 8.221 1.00 0.41 H new ATOM 0 HE1 PHE A 95 7.869 -4.327 7.390 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.027 -7.853 9.631 1.00 0.52 H new ATOM 0 HZ PHE A 95 6.664 -5.453 9.219 1.00 0.61 H new ATOM 1075 N GLN A 96 10.816 -10.544 3.920 1.00 0.21 N ATOM 1076 CA GLN A 96 11.824 -11.113 3.033 1.00 0.24 C ATOM 1077 C GLN A 96 11.287 -11.263 1.621 1.00 0.21 C ATOM 1078 O GLN A 96 12.047 -11.263 0.652 1.00 0.25 O ATOM 1079 CB GLN A 96 12.310 -12.464 3.550 1.00 0.33 C ATOM 1080 CG GLN A 96 13.120 -12.364 4.835 1.00 1.06 C ATOM 1081 CD GLN A 96 14.261 -11.367 4.724 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.374 -11.713 4.328 1.00 2.08 O ATOM 1083 NE2 GLN A 96 13.992 -10.120 5.080 1.00 1.93 N ATOM 0 H GLN A 96 10.344 -11.225 4.515 1.00 0.21 H new ATOM 0 HA GLN A 96 12.668 -10.423 3.013 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.449 -13.110 3.721 1.00 0.33 H new ATOM 0 HB3 GLN A 96 12.919 -12.941 2.782 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.463 -12.070 5.654 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.522 -13.346 5.085 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.057 -9.872 5.403 1.00 1.93 H new ATOM 0 HE22 GLN A 96 14.720 -9.407 5.031 1.00 1.93 H new ATOM 1092 N LYS A 97 9.978 -11.392 1.499 1.00 0.18 N ATOM 1093 CA LYS A 97 9.354 -11.425 0.193 1.00 0.19 C ATOM 1094 C LYS A 97 9.145 -9.985 -0.247 1.00 0.17 C ATOM 1095 O LYS A 97 9.068 -9.675 -1.431 1.00 0.20 O ATOM 1096 CB LYS A 97 8.017 -12.174 0.263 1.00 0.23 C ATOM 1097 CG LYS A 97 7.719 -13.054 -0.943 1.00 0.26 C ATOM 1098 CD LYS A 97 7.475 -12.251 -2.211 1.00 0.25 C ATOM 1099 CE LYS A 97 7.192 -13.168 -3.390 1.00 0.38 C ATOM 1100 NZ LYS A 97 5.991 -14.020 -3.165 1.00 1.43 N ATOM 0 H LYS A 97 9.332 -11.475 2.284 1.00 0.18 H new ATOM 0 HA LYS A 97 9.984 -11.950 -0.525 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.010 -12.794 1.159 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.213 -11.446 0.372 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.554 -13.736 -1.105 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.843 -13.667 -0.732 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.633 -11.575 -2.061 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.346 -11.633 -2.427 1.00 0.25 H new ATOM 0 HE2 LYS A 97 7.046 -12.568 -4.288 1.00 0.38 H new ATOM 0 HE3 LYS A 97 8.058 -13.805 -3.569 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 6.275 -15.020 -3.137 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 5.546 -13.761 -2.261 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 5.312 -13.874 -3.939 1.00 1.43 H new ATOM 1114 N PHE A 98 9.099 -9.112 0.752 1.00 0.16 N ATOM 1115 CA PHE A 98 8.917 -7.686 0.555 1.00 0.16 C ATOM 1116 C PHE A 98 10.248 -6.968 0.434 1.00 0.20 C ATOM 1117 O PHE A 98 10.325 -5.748 0.599 1.00 0.22 O ATOM 1118 CB PHE A 98 8.145 -7.097 1.720 1.00 0.15 C ATOM 1119 CG PHE A 98 6.667 -7.171 1.533 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.007 -6.154 0.874 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.938 -8.247 2.003 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.648 -6.200 0.689 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.576 -8.301 1.819 1.00 0.13 C ATOM 1124 CZ PHE A 98 3.930 -7.275 1.160 1.00 0.12 C ATOM 0 H PHE A 98 9.188 -9.381 1.732 1.00 0.16 H new ATOM 0 HA PHE A 98 8.361 -7.550 -0.373 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.417 -7.625 2.634 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.438 -6.056 1.854 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.567 -5.311 0.499 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.442 -9.051 2.519 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.144 -5.395 0.175 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.013 -9.145 2.190 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.861 -7.316 1.014 1.00 0.12 H new ATOM 1134 N CYS A 99 11.293 -7.725 0.174 1.00 0.26 N ATOM 1135 CA CYS A 99 12.607 -7.158 -0.019 1.00 0.31 C ATOM 1136 C CYS A 99 12.701 -6.441 -1.355 1.00 0.23 C ATOM 1137 O CYS A 99 13.196 -6.995 -2.337 1.00 0.27 O ATOM 1138 CB CYS A 99 13.656 -8.251 0.042 1.00 0.45 C ATOM 1139 SG CYS A 99 14.048 -8.824 1.708 1.00 1.20 S ATOM 0 H CYS A 99 11.255 -8.741 0.091 1.00 0.26 H new ATOM 0 HA CYS A 99 12.783 -6.434 0.777 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.312 -9.100 -0.548 1.00 0.45 H new ATOM 0 HB3 CYS A 99 14.570 -7.886 -0.427 1.00 0.45 H new ATOM 0 HG CYS A 99 13.046 -8.577 2.499 1.00 1.20 H new ATOM 1145 N MET A 100 12.212 -5.221 -1.390 1.00 0.19 N ATOM 1146 CA MET A 100 12.367 -4.384 -2.555 1.00 0.16 C ATOM 1147 C MET A 100 13.155 -3.150 -2.222 1.00 0.17 C ATOM 1148 O MET A 100 12.915 -2.496 -1.209 1.00 0.20 O ATOM 1149 CB MET A 100 11.026 -3.934 -3.142 1.00 0.22 C ATOM 1150 CG MET A 100 10.312 -4.985 -3.961 1.00 0.22 C ATOM 1151 SD MET A 100 9.395 -6.144 -2.938 1.00 0.13 S ATOM 1152 CE MET A 100 8.292 -5.026 -2.078 1.00 0.18 C ATOM 0 H MET A 100 11.702 -4.787 -0.621 1.00 0.19 H new ATOM 0 HA MET A 100 12.889 -4.995 -3.291 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.373 -3.623 -2.326 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.194 -3.057 -3.768 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.628 -4.498 -4.656 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.040 -5.531 -4.561 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.535 -5.021 -1.015 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.407 -4.020 -2.481 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.262 -5.355 -2.213 1.00 0.18 H new ATOM 1162 N SER A 101 14.100 -2.844 -3.068 1.00 0.16 N ATOM 1163 CA SER A 101 14.595 -1.503 -3.149 1.00 0.18 C ATOM 1164 C SER A 101 13.526 -0.746 -3.910 1.00 0.14 C ATOM 1165 O SER A 101 12.779 -1.367 -4.649 1.00 0.15 O ATOM 1166 CB SER A 101 15.940 -1.460 -3.876 1.00 0.24 C ATOM 1167 OG SER A 101 16.846 -2.388 -3.307 1.00 1.26 O ATOM 0 H SER A 101 14.540 -3.505 -3.708 1.00 0.16 H new ATOM 0 HA SER A 101 14.778 -1.067 -2.167 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.795 -1.686 -4.932 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.358 -0.455 -3.819 1.00 0.24 H new ATOM 0 HG SER A 101 17.700 -2.347 -3.786 1.00 1.26 H new ATOM 1173 N GLY A 102 13.395 0.538 -3.707 1.00 0.13 N ATOM 1174 CA GLY A 102 12.311 1.272 -4.319 1.00 0.14 C ATOM 1175 C GLY A 102 12.155 1.040 -5.812 1.00 0.14 C ATOM 1176 O GLY A 102 11.030 0.908 -6.303 1.00 0.16 O ATOM 0 H GLY A 102 14.020 1.098 -3.127 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.379 1.000 -3.823 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.466 2.337 -4.144 1.00 0.14 H new ATOM 1180 N ALA A 103 13.265 0.997 -6.542 1.00 0.17 N ATOM 1181 CA ALA A 103 13.218 0.708 -7.970 1.00 0.21 C ATOM 1182 C ALA A 103 12.595 -0.662 -8.206 1.00 0.21 C ATOM 1183 O ALA A 103 11.863 -0.872 -9.173 1.00 0.25 O ATOM 1184 CB ALA A 103 14.611 0.778 -8.574 1.00 0.26 C ATOM 0 H ALA A 103 14.202 1.157 -6.171 1.00 0.17 H new ATOM 0 HA ALA A 103 12.599 1.459 -8.460 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.557 0.560 -9.640 1.00 0.26 H new ATOM 0 HB2 ALA A 103 15.021 1.778 -8.429 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.256 0.047 -8.086 1.00 0.26 H new ATOM 1190 N ALA A 104 12.887 -1.584 -7.299 1.00 0.19 N ATOM 1191 CA ALA A 104 12.302 -2.912 -7.327 1.00 0.20 C ATOM 1192 C ALA A 104 10.842 -2.855 -6.901 1.00 0.16 C ATOM 1193 O ALA A 104 9.994 -3.536 -7.488 1.00 0.17 O ATOM 1194 CB ALA A 104 13.081 -3.855 -6.425 1.00 0.22 C ATOM 0 H ALA A 104 13.535 -1.430 -6.526 1.00 0.19 H new ATOM 0 HA ALA A 104 12.352 -3.291 -8.348 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.629 -4.846 -6.458 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.114 -3.916 -6.768 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.060 -3.480 -5.402 1.00 0.22 H new ATOM 1200 N LEU A 105 10.550 -2.062 -5.857 1.00 0.12 N ATOM 1201 CA LEU A 105 9.179 -1.817 -5.424 1.00 0.09 C ATOM 1202 C LEU A 105 8.282 -1.455 -6.585 1.00 0.12 C ATOM 1203 O LEU A 105 7.190 -1.957 -6.726 1.00 0.13 O ATOM 1204 CB LEU A 105 9.118 -0.669 -4.403 1.00 0.09 C ATOM 1205 CG LEU A 105 7.709 -0.427 -3.887 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.217 -1.632 -3.116 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.640 0.808 -3.029 1.00 0.14 C ATOM 0 H LEU A 105 11.255 -1.580 -5.299 1.00 0.12 H new ATOM 0 HA LEU A 105 8.831 -2.745 -4.969 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.775 -0.897 -3.564 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.495 0.244 -4.864 1.00 0.09 H new ATOM 0 HG LEU A 105 7.061 -0.269 -4.749 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.207 -1.444 -2.753 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.211 -2.504 -3.769 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.878 -1.817 -2.270 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.618 0.950 -2.677 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.306 0.694 -2.173 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.946 1.675 -3.614 1.00 0.14 H new ATOM 1219 N CYS A 106 8.729 -0.515 -7.344 1.00 0.21 N ATOM 1220 CA CYS A 106 8.054 -0.113 -8.552 1.00 0.31 C ATOM 1221 C CYS A 106 7.998 -1.246 -9.580 1.00 0.34 C ATOM 1222 O CYS A 106 6.922 -1.604 -10.067 1.00 0.40 O ATOM 1223 CB CYS A 106 8.782 1.087 -9.131 1.00 0.39 C ATOM 1224 SG CYS A 106 8.065 1.744 -10.655 1.00 0.74 S ATOM 0 H CYS A 106 9.583 0.009 -7.150 1.00 0.21 H new ATOM 0 HA CYS A 106 7.023 0.146 -8.309 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.800 1.880 -8.383 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.818 0.808 -9.324 1.00 0.39 H new ATOM 0 HG CYS A 106 7.295 0.846 -11.195 1.00 0.74 H new ATOM 1230 N ALA A 107 9.163 -1.806 -9.892 1.00 0.33 N ATOM 1231 CA ALA A 107 9.308 -2.797 -10.958 1.00 0.41 C ATOM 1232 C ALA A 107 8.344 -3.981 -10.851 1.00 0.38 C ATOM 1233 O ALA A 107 7.985 -4.572 -11.873 1.00 0.46 O ATOM 1234 CB ALA A 107 10.742 -3.301 -10.992 1.00 0.47 C ATOM 0 H ALA A 107 10.036 -1.586 -9.413 1.00 0.33 H new ATOM 0 HA ALA A 107 9.052 -2.286 -11.886 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.849 -4.039 -11.787 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.417 -2.466 -11.179 1.00 0.47 H new ATOM 0 HB3 ALA A 107 10.989 -3.760 -10.035 1.00 0.47 H new ATOM 1240 N LEU A 108 7.932 -4.349 -9.641 1.00 0.29 N ATOM 1241 CA LEU A 108 7.056 -5.508 -9.477 1.00 0.26 C ATOM 1242 C LEU A 108 5.724 -5.344 -10.216 1.00 0.26 C ATOM 1243 O LEU A 108 5.256 -6.276 -10.870 1.00 0.28 O ATOM 1244 CB LEU A 108 6.823 -5.849 -7.987 1.00 0.21 C ATOM 1245 CG LEU A 108 6.624 -4.677 -7.011 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.281 -3.956 -7.210 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.765 -5.179 -5.585 1.00 0.19 C ATOM 0 H LEU A 108 8.184 -3.873 -8.775 1.00 0.29 H new ATOM 0 HA LEU A 108 7.577 -6.349 -9.934 1.00 0.26 H new ATOM 0 HB2 LEU A 108 5.945 -6.492 -7.923 1.00 0.21 H new ATOM 0 HB3 LEU A 108 7.674 -6.435 -7.639 1.00 0.21 H new ATOM 0 HG LEU A 108 7.397 -3.937 -7.219 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.197 -3.139 -6.494 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.229 -3.557 -8.223 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.464 -4.660 -7.055 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.624 -4.350 -4.892 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.013 -5.944 -5.393 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.759 -5.604 -5.445 1.00 0.19 H new ATOM 1259 N GLY A 109 5.128 -4.165 -10.135 1.00 0.27 N ATOM 1260 CA GLY A 109 3.802 -3.974 -10.686 1.00 0.32 C ATOM 1261 C GLY A 109 2.749 -4.706 -9.871 1.00 0.27 C ATOM 1262 O GLY A 109 3.085 -5.477 -8.966 1.00 0.23 O ATOM 0 H GLY A 109 5.537 -3.338 -9.699 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.568 -2.910 -10.713 1.00 0.32 H new ATOM 0 HA3 GLY A 109 3.780 -4.331 -11.716 1.00 0.32 H new ATOM 1266 N LYS A 110 1.481 -4.450 -10.168 1.00 0.33 N ATOM 1267 CA LYS A 110 0.379 -5.114 -9.476 1.00 0.36 C ATOM 1268 C LYS A 110 0.591 -6.631 -9.427 1.00 0.26 C ATOM 1269 O LYS A 110 0.559 -7.222 -8.350 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.971 -4.751 -10.140 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.795 -5.938 -10.645 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.577 -6.628 -9.545 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.600 -8.144 -9.741 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.242 -8.546 -11.021 1.00 0.67 N ATOM 0 H LYS A 110 1.188 -3.786 -10.885 1.00 0.33 H new ATOM 0 HA LYS A 110 0.355 -4.758 -8.446 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.572 -4.193 -9.421 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.776 -4.083 -10.979 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.487 -5.592 -11.413 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.129 -6.660 -11.118 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -2.133 -6.392 -8.578 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.598 -6.247 -9.529 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.579 -8.525 -9.715 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -3.134 -8.606 -8.910 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.277 -9.584 -11.081 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.209 -8.164 -11.060 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -2.690 -8.172 -11.819 1.00 0.67 H new ATOM 1288 N GLU A 111 0.811 -7.250 -10.588 1.00 0.25 N ATOM 1289 CA GLU A 111 0.942 -8.703 -10.684 1.00 0.31 C ATOM 1290 C GLU A 111 1.901 -9.262 -9.639 1.00 0.27 C ATOM 1291 O GLU A 111 1.516 -10.095 -8.819 1.00 0.39 O ATOM 1292 CB GLU A 111 1.410 -9.103 -12.086 1.00 0.48 C ATOM 1293 CG GLU A 111 1.523 -10.607 -12.284 1.00 1.39 C ATOM 1294 CD GLU A 111 1.964 -10.973 -13.682 1.00 1.95 C ATOM 1295 OE1 GLU A 111 3.158 -10.806 -13.998 1.00 2.54 O ATOM 1296 OE2 GLU A 111 1.114 -11.426 -14.478 1.00 2.46 O ATOM 0 H GLU A 111 0.903 -6.763 -11.480 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.043 -9.129 -10.492 1.00 0.31 H new ATOM 0 HB2 GLU A 111 0.714 -8.699 -12.821 1.00 0.48 H new ATOM 0 HB3 GLU A 111 2.380 -8.645 -12.281 1.00 0.48 H new ATOM 0 HG2 GLU A 111 2.234 -11.013 -11.564 1.00 1.39 H new ATOM 0 HG3 GLU A 111 0.559 -11.071 -12.077 1.00 1.39 H new ATOM 1303 N CYS A 112 3.126 -8.770 -9.652 1.00 0.21 N ATOM 1304 CA CYS A 112 4.162 -9.301 -8.787 1.00 0.18 C ATOM 1305 C CYS A 112 3.899 -8.946 -7.333 1.00 0.15 C ATOM 1306 O CYS A 112 4.008 -9.805 -6.469 1.00 0.17 O ATOM 1307 CB CYS A 112 5.539 -8.807 -9.218 1.00 0.21 C ATOM 1308 SG CYS A 112 6.011 -9.308 -10.889 1.00 1.36 S ATOM 0 H CYS A 112 3.428 -8.003 -10.253 1.00 0.21 H new ATOM 0 HA CYS A 112 4.144 -10.387 -8.878 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.559 -7.719 -9.157 1.00 0.21 H new ATOM 0 HB3 CYS A 112 6.284 -9.179 -8.514 1.00 0.21 H new ATOM 0 HG CYS A 112 5.922 -8.287 -11.689 1.00 1.36 H new ATOM 1314 N PHE A 113 3.553 -7.689 -7.059 1.00 0.13 N ATOM 1315 CA PHE A 113 3.280 -7.265 -5.691 1.00 0.12 C ATOM 1316 C PHE A 113 2.225 -8.156 -5.022 1.00 0.13 C ATOM 1317 O PHE A 113 2.373 -8.557 -3.869 1.00 0.14 O ATOM 1318 CB PHE A 113 2.835 -5.792 -5.646 1.00 0.12 C ATOM 1319 CG PHE A 113 3.125 -5.145 -4.322 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.415 -5.483 -3.169 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.090 -4.164 -4.238 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.677 -4.845 -1.978 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.346 -3.522 -3.053 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.677 -4.042 -1.841 1.00 0.10 C ATOM 0 H PHE A 113 3.456 -6.954 -7.760 1.00 0.13 H new ATOM 0 HA PHE A 113 4.211 -7.366 -5.133 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.342 -5.238 -6.436 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.766 -5.732 -5.850 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.656 -6.250 -3.212 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.654 -3.897 -5.120 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.027 -5.022 -1.134 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.009 -2.671 -3.007 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.020 -3.754 -0.858 1.00 0.10 H new ATOM 1334 N LEU A 114 1.158 -8.477 -5.725 1.00 0.14 N ATOM 1335 CA LEU A 114 0.097 -9.266 -5.107 1.00 0.17 C ATOM 1336 C LEU A 114 0.490 -10.736 -5.060 1.00 0.22 C ATOM 1337 O LEU A 114 -0.051 -11.511 -4.277 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.247 -9.096 -5.808 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.540 -7.709 -6.386 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.031 -7.497 -6.493 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.936 -6.585 -5.573 1.00 0.50 C ATOM 0 H LEU A 114 0.998 -8.216 -6.698 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.027 -8.892 -4.091 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.305 -9.823 -6.618 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.037 -9.345 -5.099 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.076 -7.683 -7.372 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.229 -6.508 -6.905 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.460 -8.255 -7.148 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.481 -7.575 -5.503 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.180 -5.629 -6.036 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.339 -6.611 -4.560 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.147 -6.704 -5.536 1.00 0.50 H new ATOM 1353 N GLU A 115 1.423 -11.117 -5.922 1.00 0.22 N ATOM 1354 CA GLU A 115 2.051 -12.429 -5.837 1.00 0.28 C ATOM 1355 C GLU A 115 3.046 -12.435 -4.687 1.00 0.27 C ATOM 1356 O GLU A 115 3.487 -13.480 -4.205 1.00 0.37 O ATOM 1357 CB GLU A 115 2.803 -12.756 -7.123 1.00 0.37 C ATOM 1358 CG GLU A 115 1.907 -13.026 -8.313 1.00 0.48 C ATOM 1359 CD GLU A 115 1.143 -14.322 -8.186 1.00 1.33 C ATOM 1360 OE1 GLU A 115 1.783 -15.388 -8.080 1.00 1.81 O ATOM 1361 OE2 GLU A 115 -0.104 -14.281 -8.197 1.00 2.21 O ATOM 0 H GLU A 115 1.762 -10.536 -6.689 1.00 0.22 H new ATOM 0 HA GLU A 115 1.270 -13.173 -5.679 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.467 -11.926 -7.363 1.00 0.37 H new ATOM 0 HB3 GLU A 115 3.433 -13.629 -6.951 1.00 0.37 H new ATOM 0 HG2 GLU A 115 1.201 -12.203 -8.425 1.00 0.48 H new ATOM 0 HG3 GLU A 115 2.512 -13.053 -9.219 1.00 0.48 H new ATOM 1368 N LEU A 116 3.389 -11.236 -4.266 1.00 0.20 N ATOM 1369 CA LEU A 116 4.443 -11.001 -3.305 1.00 0.19 C ATOM 1370 C LEU A 116 3.913 -11.040 -1.868 1.00 0.22 C ATOM 1371 O LEU A 116 4.624 -11.430 -0.941 1.00 0.26 O ATOM 1372 CB LEU A 116 5.104 -9.665 -3.668 1.00 0.15 C ATOM 1373 CG LEU A 116 5.659 -8.824 -2.531 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.908 -8.108 -2.986 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.636 -7.812 -2.073 1.00 0.16 C ATOM 0 H LEU A 116 2.934 -10.382 -4.589 1.00 0.20 H new ATOM 0 HA LEU A 116 5.190 -11.793 -3.347 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.918 -9.871 -4.363 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.371 -9.063 -4.205 1.00 0.15 H new ATOM 0 HG LEU A 116 5.900 -9.484 -1.697 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.302 -7.506 -2.167 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.656 -8.840 -3.291 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.669 -7.460 -3.829 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.051 -7.219 -1.258 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.376 -7.156 -2.904 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.742 -8.330 -1.726 1.00 0.16 H new ATOM 1387 N ALA A 117 2.658 -10.669 -1.700 1.00 0.21 N ATOM 1388 CA ALA A 117 1.994 -10.750 -0.401 1.00 0.22 C ATOM 1389 C ALA A 117 0.674 -11.492 -0.557 1.00 0.23 C ATOM 1390 O ALA A 117 0.364 -11.942 -1.656 1.00 0.26 O ATOM 1391 CB ALA A 117 1.756 -9.354 0.163 1.00 0.22 C ATOM 0 H ALA A 117 2.069 -10.305 -2.449 1.00 0.21 H new ATOM 0 HA ALA A 117 2.632 -11.293 0.296 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.261 -9.432 1.131 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.711 -8.843 0.284 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.126 -8.787 -0.522 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.105 -11.678 0.522 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.502 -12.073 0.380 1.00 0.25 C ATOM 1399 C PRO A 118 -2.200 -11.146 -0.605 1.00 0.22 C ATOM 1400 O PRO A 118 -1.995 -9.936 -0.567 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.067 -11.884 1.783 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.900 -12.068 2.692 1.00 0.32 C ATOM 1403 CD PRO A 118 0.306 -11.573 1.937 1.00 0.29 C ATOM 0 HA PRO A 118 -1.632 -13.088 0.005 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.508 -10.894 1.902 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.852 -12.611 1.995 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.036 -11.508 3.617 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.783 -13.116 2.967 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.555 -10.547 2.207 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.187 -12.180 2.145 1.00 0.29 H new ATOM 1411 N ASP A 119 -2.999 -11.716 -1.492 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.610 -10.969 -2.599 1.00 0.32 C ATOM 1413 C ASP A 119 -4.414 -9.747 -2.140 1.00 0.31 C ATOM 1414 O ASP A 119 -4.694 -8.860 -2.945 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.499 -11.882 -3.448 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.692 -12.415 -2.682 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.745 -11.739 -2.660 1.00 1.26 O ATOM 1418 OD2 ASP A 119 -5.578 -13.511 -2.093 1.00 0.95 O ATOM 0 H ASP A 119 -3.247 -12.705 -1.473 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.780 -10.598 -3.200 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.850 -11.331 -4.321 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -3.906 -12.719 -3.817 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.774 -9.669 -0.861 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.483 -8.503 -0.363 1.00 0.32 C ATOM 1425 C PHE A 120 -4.471 -7.470 0.072 1.00 0.22 C ATOM 1426 O PHE A 120 -4.581 -6.291 -0.237 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.410 -8.867 0.800 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.242 -7.716 1.296 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.698 -6.740 0.421 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.568 -7.613 2.638 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.458 -5.682 0.878 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.329 -6.557 3.101 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.774 -5.590 2.220 1.00 1.86 C ATOM 0 H PHE A 120 -4.588 -10.390 -0.163 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.108 -8.100 -1.160 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.073 -9.673 0.486 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -5.810 -9.251 1.625 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.456 -6.809 -0.629 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.223 -8.367 3.330 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.805 -4.927 0.188 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.576 -6.487 4.150 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.368 -4.763 2.580 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.455 -7.959 0.751 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.411 -7.142 1.307 1.00 0.17 C ATOM 1445 C VAL A 121 -1.534 -6.574 0.218 1.00 0.15 C ATOM 1446 O VAL A 121 -1.140 -5.410 0.273 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.575 -7.989 2.256 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.442 -7.177 2.852 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.497 -8.558 3.314 1.00 0.22 C ATOM 0 H VAL A 121 -3.334 -8.955 0.932 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.861 -6.309 1.847 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.103 -8.812 1.718 1.00 0.18 H new ATOM 0 HG11 VAL A 121 0.140 -7.805 3.526 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.201 -6.809 2.053 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -0.852 -6.332 3.406 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -1.921 -9.170 4.008 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -2.973 -7.743 3.859 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.262 -9.171 2.838 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.223 -7.405 -0.766 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.492 -6.942 -1.912 1.00 0.19 C ATOM 1461 C GLY A 122 -1.191 -5.787 -2.577 1.00 0.16 C ATOM 1462 O GLY A 122 -0.561 -4.793 -2.875 1.00 0.14 O ATOM 0 H GLY A 122 -1.468 -8.395 -0.785 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.510 -6.637 -1.608 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.375 -7.758 -2.625 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.501 -5.904 -2.782 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.266 -4.860 -3.462 1.00 0.19 C ATOM 1468 C ASP A 123 -3.500 -3.686 -2.523 1.00 0.13 C ATOM 1469 O ASP A 123 -3.567 -2.545 -2.955 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.594 -5.405 -4.004 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.413 -4.351 -4.726 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -4.912 -3.768 -5.713 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.555 -4.081 -4.294 1.00 1.07 O ATOM 0 H ASP A 123 -3.054 -6.709 -2.488 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.685 -4.511 -4.316 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.391 -6.231 -4.686 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.179 -5.810 -3.178 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.660 -3.980 -1.238 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.654 -2.950 -0.203 1.00 0.10 C ATOM 1480 C ILE A 124 -2.399 -2.095 -0.307 1.00 0.09 C ATOM 1481 O ILE A 124 -2.467 -0.889 -0.557 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.768 -3.576 1.213 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.234 -3.835 1.555 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.131 -2.688 2.280 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.425 -4.562 2.870 1.00 0.22 C ATOM 0 H ILE A 124 -3.796 -4.927 -0.886 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.524 -2.313 -0.360 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.224 -4.521 1.201 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.764 -2.883 1.594 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.688 -4.420 0.755 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.232 -3.162 3.256 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.074 -2.547 2.053 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.631 -1.720 2.294 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.489 -4.713 3.051 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.923 -5.529 2.828 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.000 -3.968 3.679 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.260 -2.725 -0.131 1.00 0.08 N ATOM 1498 CA LEU A 125 0.001 -2.052 -0.268 1.00 0.08 C ATOM 1499 C LEU A 125 0.172 -1.490 -1.668 1.00 0.09 C ATOM 1500 O LEU A 125 0.621 -0.366 -1.830 1.00 0.10 O ATOM 1501 CB LEU A 125 1.118 -3.010 0.093 1.00 0.08 C ATOM 1502 CG LEU A 125 1.493 -2.980 1.562 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.431 -4.120 1.902 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.129 -1.645 1.888 1.00 0.09 C ATOM 0 H LEU A 125 -1.187 -3.713 0.110 1.00 0.08 H new ATOM 0 HA LEU A 125 0.034 -1.203 0.415 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.818 -4.023 -0.176 1.00 0.08 H new ATOM 0 HB3 LEU A 125 1.998 -2.770 -0.503 1.00 0.08 H new ATOM 0 HG LEU A 125 0.593 -3.104 2.164 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.686 -4.078 2.961 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.943 -5.070 1.684 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.340 -4.034 1.306 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.400 -1.619 2.943 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.024 -1.510 1.280 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.422 -0.843 1.675 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.246 -2.248 -2.668 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.159 -1.797 -4.044 1.00 0.10 C ATOM 1518 C TRP A 126 -1.002 -0.542 -4.254 1.00 0.11 C ATOM 1519 O TRP A 126 -0.595 0.352 -4.987 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.582 -2.889 -5.033 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.656 -2.373 -6.428 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.782 -2.156 -7.153 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.441 -1.957 -7.240 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.454 -1.614 -8.375 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.090 -1.486 -8.450 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.821 -1.936 -7.056 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.720 -0.993 -9.472 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.621 -1.450 -8.069 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.069 -0.982 -9.263 1.00 0.25 C ATOM 0 H TRP A 126 -0.649 -3.178 -2.551 1.00 0.09 H new ATOM 0 HA TRP A 126 0.887 -1.560 -4.239 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.128 -3.715 -4.988 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.554 -3.288 -4.741 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.786 -2.376 -6.821 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.116 -1.351 -9.105 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.258 -2.294 -6.135 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.295 -0.632 -10.397 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.693 -1.431 -7.936 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.722 -0.604 -10.036 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.171 -0.469 -3.616 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.973 0.742 -3.666 1.00 0.12 C ATOM 1542 C GLU A 127 -2.152 1.908 -3.184 1.00 0.12 C ATOM 1543 O GLU A 127 -1.937 2.840 -3.925 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.255 0.636 -2.840 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.514 0.469 -3.678 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.853 1.675 -4.530 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -5.167 1.895 -5.552 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.766 2.433 -4.161 1.00 1.43 O ATOM 0 H GLU A 127 -2.575 -1.227 -3.066 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.273 0.890 -4.703 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.168 -0.211 -2.159 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.355 1.531 -2.225 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.394 -0.399 -4.327 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.353 0.258 -3.016 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.656 1.851 -1.954 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.846 2.957 -1.465 1.00 0.11 C ATOM 1557 C HIS A 128 0.411 3.110 -2.299 1.00 0.10 C ATOM 1558 O HIS A 128 0.909 4.212 -2.427 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.482 2.837 0.018 1.00 0.11 C ATOM 1560 CG HIS A 128 0.064 4.123 0.593 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.139 5.370 0.058 1.00 0.14 N flip ATOM 1562 CD2 HIS A 128 0.592 4.225 1.860 1.00 0.14 C flip ATOM 1563 CE1 HIS A 128 0.699 6.190 1.003 1.00 0.15 C flip ATOM 1564 NE2 HIS A 128 0.963 5.480 2.081 1.00 0.15 N flip ATOM 0 H HIS A 128 -1.793 1.081 -1.299 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.464 3.850 -1.564 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.366 2.539 0.581 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.257 2.046 0.143 1.00 0.11 H new ATOM 0 HD2 HIS A 128 0.689 3.412 2.564 1.00 0.14 H new ATOM 0 HE1 HIS A 128 0.892 7.246 0.883 1.00 0.15 H new ATOM 0 HE2 HIS A 128 1.382 5.835 2.941 1.00 0.15 H new ATOM 1573 N LEU A 129 0.930 2.029 -2.868 1.00 0.10 N ATOM 1574 CA LEU A 129 2.034 2.149 -3.795 1.00 0.12 C ATOM 1575 C LEU A 129 1.603 3.041 -4.931 1.00 0.15 C ATOM 1576 O LEU A 129 2.251 4.035 -5.235 1.00 0.18 O ATOM 1577 CB LEU A 129 2.465 0.771 -4.322 1.00 0.11 C ATOM 1578 CG LEU A 129 3.700 0.772 -5.226 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.706 1.806 -4.750 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.357 -0.593 -5.220 1.00 0.13 C ATOM 0 H LEU A 129 0.606 1.076 -2.704 1.00 0.10 H new ATOM 0 HA LEU A 129 2.894 2.583 -3.285 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.660 0.119 -3.470 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.632 0.335 -4.873 1.00 0.11 H new ATOM 0 HG LEU A 129 3.378 1.018 -6.238 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.578 1.793 -5.404 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.249 2.795 -4.773 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.014 1.572 -3.731 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.234 -0.578 -5.867 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.660 -0.846 -4.204 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.650 -1.339 -5.584 1.00 0.13 H new ATOM 1592 N GLU A 130 0.460 2.716 -5.496 1.00 0.17 N ATOM 1593 CA GLU A 130 -0.056 3.441 -6.621 1.00 0.23 C ATOM 1594 C GLU A 130 -0.483 4.846 -6.201 1.00 0.25 C ATOM 1595 O GLU A 130 -0.357 5.810 -6.953 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.221 2.665 -7.261 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.598 3.158 -8.648 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.737 2.370 -9.264 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -3.915 2.702 -9.003 1.00 1.73 O ATOM 1600 OE2 GLU A 130 -2.463 1.401 -10.001 1.00 1.80 O ATOM 0 H GLU A 130 -0.130 1.944 -5.185 1.00 0.17 H new ATOM 0 HA GLU A 130 0.730 3.545 -7.369 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.953 1.610 -7.321 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -2.093 2.736 -6.611 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.880 4.209 -8.590 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.726 3.097 -9.299 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.992 4.936 -4.991 1.00 0.20 N ATOM 1608 CA ILE A 131 -1.327 6.197 -4.363 1.00 0.21 C ATOM 1609 C ILE A 131 -0.077 7.067 -4.173 1.00 0.22 C ATOM 1610 O ILE A 131 -0.117 8.248 -4.436 1.00 0.27 O ATOM 1611 CB ILE A 131 -2.041 5.943 -3.016 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.566 5.842 -3.199 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.732 7.029 -1.993 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -4.033 4.812 -4.205 1.00 0.23 C ATOM 0 H ILE A 131 -1.188 4.123 -4.407 1.00 0.20 H new ATOM 0 HA ILE A 131 -2.007 6.743 -5.017 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.659 4.993 -2.642 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -4.016 5.612 -2.233 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.944 6.818 -3.502 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -2.254 6.811 -1.062 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.658 7.060 -1.808 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -2.062 7.994 -2.376 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -5.122 4.822 -4.257 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.620 5.048 -5.186 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.694 3.823 -3.897 1.00 0.23 H new ATOM 1626 N LEU A 132 1.036 6.487 -3.739 1.00 0.18 N ATOM 1627 CA LEU A 132 2.286 7.253 -3.641 1.00 0.20 C ATOM 1628 C LEU A 132 2.569 7.898 -4.987 1.00 0.25 C ATOM 1629 O LEU A 132 2.955 9.057 -5.065 1.00 0.29 O ATOM 1630 CB LEU A 132 3.480 6.382 -3.244 1.00 0.21 C ATOM 1631 CG LEU A 132 3.358 5.621 -1.924 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.034 4.282 -2.075 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.984 6.380 -0.750 1.00 0.25 C ATOM 0 H LEU A 132 1.106 5.510 -3.453 1.00 0.18 H new ATOM 0 HA LEU A 132 2.156 8.003 -2.861 1.00 0.20 H new ATOM 0 HB2 LEU A 132 3.655 5.659 -4.040 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.364 7.018 -3.191 1.00 0.21 H new ATOM 0 HG LEU A 132 2.298 5.502 -1.701 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.955 3.727 -1.140 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.551 3.719 -2.873 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.085 4.431 -2.321 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.870 5.796 0.163 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.044 6.544 -0.946 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.484 7.341 -0.630 1.00 0.25 H new ATOM 1645 N GLN A 133 2.301 7.140 -6.048 1.00 0.28 N ATOM 1646 CA GLN A 133 2.442 7.649 -7.404 1.00 0.38 C ATOM 1647 C GLN A 133 1.479 8.811 -7.617 1.00 0.37 C ATOM 1648 O GLN A 133 1.842 9.837 -8.196 1.00 0.47 O ATOM 1649 CB GLN A 133 2.175 6.552 -8.447 1.00 0.58 C ATOM 1650 CG GLN A 133 3.402 5.753 -8.855 1.00 0.79 C ATOM 1651 CD GLN A 133 4.169 5.213 -7.681 1.00 0.65 C ATOM 1652 OE1 GLN A 133 5.033 5.895 -7.160 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.886 3.986 -7.266 1.00 0.31 N ATOM 0 H GLN A 133 1.985 6.172 -5.992 1.00 0.28 H new ATOM 0 HA GLN A 133 3.469 7.992 -7.533 1.00 0.38 H new ATOM 0 HB2 GLN A 133 1.427 5.866 -8.050 1.00 0.58 H new ATOM 0 HB3 GLN A 133 1.745 7.012 -9.337 1.00 0.58 H new ATOM 0 HG2 GLN A 133 3.094 4.924 -9.492 1.00 0.79 H new ATOM 0 HG3 GLN A 133 4.059 6.386 -9.451 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.155 3.447 -7.729 1.00 0.31 H new ATOM 0 HE22 GLN A 133 4.400 3.581 -6.483 1.00 0.31 H new