USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1150 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 101 THR OG1 : rot 180:sc= 0.807 USER MOD Set 1.2: A 103 ASN : amide:sc= 0.655 X(o=1.5,f=1.4) USER MOD Set 2.1: A 96 LYS NZ :NH3+ 168:sc= 0.407 (180deg=-0.249) USER MOD Set 2.2: A 100 TYR OH : rot -173:sc= 0.678 USER MOD Single : A 1 PHE N :NH3+ -157:sc= 0.42 (180deg=0.0882) USER MOD Single : A 2 LYS NZ :NH3+ -164:sc= -0.0315 (180deg=-0.247) USER MOD Single : A 3 TYR OH : rot -7:sc= 1.26 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.649 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.617 F(o=-2!,f=-0.62) USER MOD Single : A 24 ASN : amide:sc= 1.15 K(o=1.2,f=-0.081) USER MOD Single : A 26 SER OG : rot 180:sc= 0.369 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 1.7 (180deg=1.5) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 165:sc= -0.0016 USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0.629 (180deg=0.627) USER MOD Single : A 44 ASN : amide:sc= -6.88! C(o=-6.9!,f=-9.5!) USER MOD Single : A 45 THR OG1 : rot 140:sc= 0.547 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= 0.147 (180deg=-0.161) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.135) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -150:sc= -0.269 USER MOD Single : A 62 LYS NZ :NH3+ -130:sc= -0.023 (180deg=-0.846) USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= -0.0714 (180deg=-0.447) USER MOD Single : A 67 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-5.9!) USER MOD Single : A 69 MET CE :methyl -159:sc= -1.78 (180deg=-3.46!) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 1.14 (180deg=0.868) USER MOD Single : A 72 SER OG : rot 73:sc= 1.23 USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= 1.29 (180deg=1.09) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00833) USER MOD Single : A 88 SER OG : rot -78:sc= 0.661 USER MOD Single : A 99 TYR OH : rot 67:sc= 0.846 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 76:sc= -0.617! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -177:sc= 1.28 (180deg=1.19) USER MOD Single : A 121 TYR OH : rot -19:sc= -0.289 USER MOD Single : A 122 LYS NZ :NH3+ -174:sc= -0.428 (180deg=-0.479) USER MOD Single : A 124 MET CE :methyl -144:sc= -0.904 (180deg=-1.37) USER MOD Single : A 125 SER OG : rot 87:sc= 1.32 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -128:sc= 0.218 (180deg=-0.921!) USER MOD Single : A 135 GLN : amide:sc= -0.445 K(o=-0.44,f=-3.8!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 SER OG : rot 91:sc= 1.25 USER MOD Single : A 147 LYS NZ :NH3+ 147:sc= 0.043 (180deg=-0.103) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 3.597 19.619 -9.507 1.00 1.03 N ATOM 222 CA PHE A 1 3.341 18.352 -10.176 1.00 1.07 C ATOM 223 C PHE A 1 1.848 18.033 -10.183 1.00 0.89 C ATOM 224 O PHE A 1 1.118 18.376 -9.250 1.00 0.81 O ATOM 225 CB PHE A 1 4.127 17.216 -9.506 1.00 1.39 C ATOM 226 CG PHE A 1 3.593 16.802 -8.159 1.00 0.93 C ATOM 227 CD1 PHE A 1 3.840 17.565 -7.029 1.00 1.15 C ATOM 228 CD2 PHE A 1 2.849 15.640 -8.029 1.00 1.11 C ATOM 229 CE1 PHE A 1 3.351 17.178 -5.795 1.00 1.47 C ATOM 230 CE2 PHE A 1 2.359 15.247 -6.800 1.00 1.14 C ATOM 231 CZ PHE A 1 2.610 16.018 -5.680 1.00 1.31 C ATOM 0 H1 PHE A 1 4.504 20.008 -9.835 1.00 1.03 H new ATOM 0 H2 PHE A 1 2.833 20.289 -9.728 1.00 1.03 H new ATOM 0 H3 PHE A 1 3.637 19.467 -8.479 1.00 1.03 H new ATOM 0 HA PHE A 1 3.677 18.443 -11.209 1.00 1.07 H new ATOM 0 HB2 PHE A 1 4.124 16.349 -10.167 1.00 1.39 H new ATOM 0 HB3 PHE A 1 5.166 17.527 -9.392 1.00 1.39 H new ATOM 0 HD1 PHE A 1 4.421 18.472 -7.113 1.00 1.15 H new ATOM 0 HD2 PHE A 1 2.650 15.034 -8.901 1.00 1.11 H new ATOM 0 HE1 PHE A 1 3.548 17.782 -4.922 1.00 1.47 H new ATOM 0 HE2 PHE A 1 1.781 14.339 -6.713 1.00 1.14 H new ATOM 0 HZ PHE A 1 2.227 15.714 -4.717 1.00 1.31 H new ATOM 241 N LYS A 2 1.402 17.369 -11.235 1.00 0.96 N ATOM 242 CA LYS A 2 0.005 17.000 -11.382 1.00 0.98 C ATOM 243 C LYS A 2 -0.154 15.508 -11.119 1.00 1.01 C ATOM 244 O LYS A 2 0.644 14.703 -11.587 1.00 1.42 O ATOM 245 CB LYS A 2 -0.468 17.351 -12.799 1.00 1.14 C ATOM 246 CG LYS A 2 -1.932 17.042 -13.077 1.00 1.62 C ATOM 247 CD LYS A 2 -2.858 17.815 -12.151 1.00 2.02 C ATOM 248 CE LYS A 2 -4.313 17.665 -12.562 1.00 2.67 C ATOM 249 NZ LYS A 2 -4.598 18.329 -13.862 1.00 3.15 N ATOM 0 H LYS A 2 1.996 17.071 -12.009 1.00 0.96 H new ATOM 0 HA LYS A 2 -0.603 17.550 -10.663 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -0.296 18.413 -12.972 1.00 1.14 H new ATOM 0 HB3 LYS A 2 0.146 16.808 -13.517 1.00 1.14 H new ATOM 0 HG2 LYS A 2 -2.165 17.289 -14.113 1.00 1.62 H new ATOM 0 HG3 LYS A 2 -2.107 15.973 -12.957 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -2.730 17.460 -11.128 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -2.584 18.870 -12.159 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -4.562 16.606 -12.634 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -4.953 18.091 -11.790 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -5.626 18.442 -13.976 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -4.143 19.264 -13.882 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -4.225 17.746 -14.639 1.00 3.15 H new ATOM 263 N TYR A 3 -1.183 15.147 -10.361 1.00 0.91 N ATOM 264 CA TYR A 3 -1.413 13.754 -9.997 1.00 0.94 C ATOM 265 C TYR A 3 -1.739 12.919 -11.233 1.00 1.01 C ATOM 266 O TYR A 3 -1.354 11.754 -11.327 1.00 0.90 O ATOM 267 CB TYR A 3 -2.538 13.652 -8.961 1.00 1.02 C ATOM 268 CG TYR A 3 -2.899 12.233 -8.586 1.00 1.12 C ATOM 269 CD1 TYR A 3 -1.934 11.349 -8.122 1.00 1.31 C ATOM 270 CD2 TYR A 3 -4.206 11.780 -8.692 1.00 1.36 C ATOM 271 CE1 TYR A 3 -2.265 10.055 -7.773 1.00 1.62 C ATOM 272 CE2 TYR A 3 -4.545 10.491 -8.341 1.00 1.78 C ATOM 273 CZ TYR A 3 -3.554 9.621 -7.910 1.00 1.87 C ATOM 274 OH TYR A 3 -3.909 8.350 -7.526 1.00 2.35 O ATOM 0 H TYR A 3 -1.871 15.800 -9.986 1.00 0.91 H new ATOM 0 HA TYR A 3 -0.499 13.358 -9.554 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -2.240 14.190 -8.061 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -3.425 14.151 -9.352 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -0.909 11.679 -8.033 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -4.971 12.449 -9.056 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -1.507 9.387 -7.392 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -5.572 10.162 -8.401 1.00 1.78 H new ATOM 0 HH TYR A 3 -3.106 7.847 -7.277 1.00 2.35 H new ATOM 284 N GLU A 4 -2.448 13.519 -12.182 1.00 1.38 N ATOM 285 CA GLU A 4 -2.761 12.850 -13.441 1.00 1.74 C ATOM 286 C GLU A 4 -1.533 12.745 -14.348 1.00 1.24 C ATOM 287 O GLU A 4 -1.587 12.124 -15.408 1.00 1.52 O ATOM 288 CB GLU A 4 -3.883 13.587 -14.170 1.00 2.44 C ATOM 289 CG GLU A 4 -5.179 13.664 -13.382 1.00 3.05 C ATOM 290 CD GLU A 4 -6.298 14.315 -14.167 1.00 3.65 C ATOM 291 OE1 GLU A 4 -6.301 15.560 -14.285 1.00 3.95 O ATOM 292 OE2 GLU A 4 -7.179 13.591 -14.671 1.00 4.16 O ATOM 0 H GLU A 4 -2.817 14.467 -12.105 1.00 1.38 H new ATOM 0 HA GLU A 4 -3.089 11.839 -13.200 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -3.550 14.598 -14.403 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.075 13.088 -15.120 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -5.482 12.659 -13.089 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -5.009 14.226 -12.464 1.00 3.05 H new ATOM 299 N ASP A 5 -0.426 13.357 -13.940 1.00 0.71 N ATOM 300 CA ASP A 5 0.810 13.282 -14.717 1.00 0.73 C ATOM 301 C ASP A 5 1.607 12.050 -14.304 1.00 0.72 C ATOM 302 O ASP A 5 2.572 11.659 -14.963 1.00 0.90 O ATOM 303 CB ASP A 5 1.644 14.552 -14.537 1.00 1.07 C ATOM 304 CG ASP A 5 2.867 14.581 -15.432 1.00 1.83 C ATOM 305 OD1 ASP A 5 2.705 14.602 -16.670 1.00 2.15 O ATOM 306 OD2 ASP A 5 4.000 14.605 -14.904 1.00 2.57 O ATOM 0 H ASP A 5 -0.357 13.906 -13.083 1.00 0.71 H new ATOM 0 HA ASP A 5 0.555 13.198 -15.773 1.00 0.73 H new ATOM 0 HB2 ASP A 5 1.023 15.422 -14.749 1.00 1.07 H new ATOM 0 HB3 ASP A 5 1.959 14.631 -13.496 1.00 1.07 H new ATOM 311 N ILE A 6 1.178 11.432 -13.212 1.00 0.58 N ATOM 312 CA ILE A 6 1.749 10.173 -12.767 1.00 0.55 C ATOM 313 C ILE A 6 1.151 9.048 -13.604 1.00 0.54 C ATOM 314 O ILE A 6 -0.058 9.049 -13.852 1.00 0.58 O ATOM 315 CB ILE A 6 1.443 9.922 -11.269 1.00 0.55 C ATOM 316 CG1 ILE A 6 2.027 11.047 -10.409 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.986 8.571 -10.818 1.00 0.56 C ATOM 318 CD1 ILE A 6 1.736 10.892 -8.930 1.00 0.69 C ATOM 0 H ILE A 6 0.431 11.787 -12.616 1.00 0.58 H new ATOM 0 HA ILE A 6 2.831 10.209 -12.890 1.00 0.55 H new ATOM 0 HB ILE A 6 0.360 9.910 -11.142 1.00 0.55 H new ATOM 0 HG12 ILE A 6 3.106 11.083 -10.557 1.00 0.63 H new ATOM 0 HG13 ILE A 6 1.626 12.001 -10.752 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.757 8.421 -9.763 1.00 0.56 H new ATOM 0 HG22 ILE A 6 1.523 7.778 -11.406 1.00 0.56 H new ATOM 0 HG23 ILE A 6 3.066 8.547 -10.962 1.00 0.56 H new ATOM 0 HD11 ILE A 6 2.180 11.724 -8.383 1.00 0.69 H new ATOM 0 HD12 ILE A 6 0.658 10.886 -8.770 1.00 0.69 H new ATOM 0 HD13 ILE A 6 2.161 9.954 -8.572 1.00 0.69 H new ATOM 325 N PRO A 7 1.989 8.108 -14.089 1.00 0.53 N ATOM 326 CA PRO A 7 1.534 6.951 -14.863 1.00 0.55 C ATOM 327 C PRO A 7 0.265 6.335 -14.283 1.00 0.53 C ATOM 328 O PRO A 7 0.272 5.789 -13.176 1.00 0.52 O ATOM 329 CB PRO A 7 2.709 5.985 -14.751 1.00 0.55 C ATOM 330 CG PRO A 7 3.900 6.878 -14.679 1.00 0.60 C ATOM 331 CD PRO A 7 3.457 8.109 -13.928 1.00 0.54 C ATOM 0 HA PRO A 7 1.274 7.209 -15.889 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.627 5.356 -13.864 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.761 5.318 -15.611 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.726 6.385 -14.166 1.00 0.60 H new ATOM 0 HG3 PRO A 7 4.254 7.137 -15.677 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.745 8.062 -12.878 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.905 9.013 -14.341 1.00 0.54 H new ATOM 339 N ALA A 8 -0.821 6.433 -15.040 1.00 0.55 N ATOM 340 CA ALA A 8 -2.137 6.042 -14.558 1.00 0.54 C ATOM 341 C ALA A 8 -2.220 4.548 -14.296 1.00 0.55 C ATOM 342 O ALA A 8 -3.101 4.096 -13.564 1.00 0.56 O ATOM 343 CB ALA A 8 -3.218 6.479 -15.533 1.00 0.57 C ATOM 0 H ALA A 8 -0.814 6.783 -15.998 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.302 6.549 -13.607 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.194 6.177 -15.153 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.191 7.563 -15.644 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -3.045 6.011 -16.502 1.00 0.57 H new ATOM 349 N ASP A 9 -1.293 3.777 -14.858 1.00 0.55 N ATOM 350 CA ASP A 9 -1.286 2.338 -14.623 1.00 0.57 C ATOM 351 C ASP A 9 -0.996 2.067 -13.157 1.00 0.54 C ATOM 352 O ASP A 9 -1.469 1.093 -12.568 1.00 0.55 O ATOM 353 CB ASP A 9 -0.245 1.632 -15.495 1.00 0.61 C ATOM 354 CG ASP A 9 -0.723 1.408 -16.913 1.00 0.93 C ATOM 355 OD1 ASP A 9 -1.558 0.504 -17.126 1.00 1.33 O ATOM 356 OD2 ASP A 9 -0.263 2.129 -17.823 1.00 1.37 O ATOM 0 H ASP A 9 -0.550 4.117 -15.468 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.267 1.945 -14.888 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.669 2.225 -15.514 1.00 0.61 H new ATOM 0 HB3 ASP A 9 0.008 0.672 -15.046 1.00 0.61 H new ATOM 361 N TYR A 10 -0.211 2.975 -12.583 1.00 0.52 N ATOM 362 CA TYR A 10 0.211 2.892 -11.198 1.00 0.50 C ATOM 363 C TYR A 10 -0.846 3.500 -10.286 1.00 0.49 C ATOM 364 O TYR A 10 -0.996 3.090 -9.135 1.00 0.51 O ATOM 365 CB TYR A 10 1.550 3.619 -11.029 1.00 0.52 C ATOM 366 CG TYR A 10 2.041 3.715 -9.601 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.500 2.587 -8.932 1.00 0.59 C ATOM 368 CD2 TYR A 10 2.034 4.926 -8.920 1.00 0.59 C ATOM 369 CE1 TYR A 10 2.942 2.665 -7.628 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.475 5.009 -7.613 1.00 0.66 C ATOM 371 CZ TYR A 10 2.955 3.909 -6.984 1.00 0.70 C ATOM 372 OH TYR A 10 3.365 3.953 -5.672 1.00 0.80 O ATOM 0 H TYR A 10 0.150 3.793 -13.074 1.00 0.52 H new ATOM 0 HA TYR A 10 0.337 1.845 -10.922 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.305 3.105 -11.625 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.455 4.626 -11.435 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.511 1.635 -9.441 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.679 5.815 -9.419 1.00 0.59 H new ATOM 0 HE1 TYR A 10 3.274 1.778 -7.110 1.00 0.66 H new ATOM 0 HE2 TYR A 10 2.437 5.954 -7.091 1.00 0.66 H new ATOM 0 HH TYR A 10 3.327 4.877 -5.348 1.00 0.80 H new ATOM 382 N ARG A 11 -1.597 4.469 -10.804 1.00 0.48 N ATOM 383 CA ARG A 11 -2.655 5.089 -10.016 1.00 0.49 C ATOM 384 C ARG A 11 -3.802 4.098 -9.866 1.00 0.50 C ATOM 385 O ARG A 11 -4.592 4.156 -8.922 1.00 0.54 O ATOM 386 CB ARG A 11 -3.149 6.379 -10.666 1.00 0.51 C ATOM 387 CG ARG A 11 -2.114 7.491 -10.718 1.00 0.48 C ATOM 388 CD ARG A 11 -2.583 8.633 -11.604 1.00 0.60 C ATOM 389 NE ARG A 11 -3.958 9.032 -11.302 1.00 0.88 N ATOM 390 CZ ARG A 11 -4.782 9.601 -12.183 1.00 1.19 C ATOM 391 NH1 ARG A 11 -4.375 9.848 -13.424 1.00 1.61 N ATOM 392 NH2 ARG A 11 -6.018 9.917 -11.826 1.00 1.73 N ATOM 0 H ARG A 11 -1.495 4.836 -11.750 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.258 5.350 -9.035 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.478 6.157 -11.681 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -4.022 6.736 -10.119 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.924 7.862 -9.711 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.171 7.097 -11.096 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -1.920 9.489 -11.474 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -2.514 8.333 -12.650 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.308 8.865 -10.359 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -3.427 9.602 -13.708 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -5.011 10.283 -14.092 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -6.340 9.725 -10.877 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -6.648 10.352 -12.500 1.00 1.73 H new ATOM 406 N ASP A 12 -3.865 3.191 -10.830 1.00 0.48 N ATOM 407 CA ASP A 12 -4.806 2.083 -10.823 1.00 0.50 C ATOM 408 C ASP A 12 -4.418 1.055 -9.768 1.00 0.52 C ATOM 409 O ASP A 12 -5.234 0.225 -9.366 1.00 0.62 O ATOM 410 CB ASP A 12 -4.812 1.421 -12.200 1.00 0.51 C ATOM 411 CG ASP A 12 -6.011 0.517 -12.399 1.00 0.76 C ATOM 412 OD1 ASP A 12 -7.123 1.042 -12.611 1.00 1.02 O ATOM 413 OD2 ASP A 12 -5.846 -0.720 -12.358 1.00 0.99 O ATOM 0 H ASP A 12 -3.256 3.205 -11.648 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.799 2.465 -10.587 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.809 2.192 -12.971 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -3.898 0.841 -12.326 1.00 0.51 H new ATOM 418 N LEU A 13 -3.162 1.105 -9.335 1.00 0.50 N ATOM 419 CA LEU A 13 -2.657 0.170 -8.340 1.00 0.53 C ATOM 420 C LEU A 13 -2.828 0.722 -6.932 1.00 0.62 C ATOM 421 O LEU A 13 -3.313 0.024 -6.044 1.00 0.93 O ATOM 422 CB LEU A 13 -1.176 -0.138 -8.587 1.00 0.49 C ATOM 423 CG LEU A 13 -0.833 -0.684 -9.974 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.653 -0.987 -10.068 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.649 -1.928 -10.285 1.00 0.88 C ATOM 0 H LEU A 13 -2.475 1.786 -9.660 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.236 -0.749 -8.432 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.602 0.774 -8.424 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.845 -0.860 -7.841 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.083 0.078 -10.712 1.00 0.44 H new ATOM 0 HD11 LEU A 13 0.883 -1.375 -11.060 1.00 0.78 H new ATOM 0 HD12 LEU A 13 1.222 -0.074 -9.894 1.00 0.78 H new ATOM 0 HD13 LEU A 13 0.921 -1.730 -9.317 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.387 -2.297 -11.277 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.436 -2.698 -9.543 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -2.711 -1.683 -10.258 1.00 0.88 H new ATOM 437 N MET A 14 -2.418 1.974 -6.726 1.00 0.55 N ATOM 438 CA MET A 14 -2.517 2.593 -5.407 1.00 0.64 C ATOM 439 C MET A 14 -3.982 2.702 -4.990 1.00 0.55 C ATOM 440 O MET A 14 -4.836 3.121 -5.775 1.00 0.53 O ATOM 441 CB MET A 14 -1.844 3.977 -5.373 1.00 0.82 C ATOM 442 CG MET A 14 -2.531 5.028 -6.232 1.00 0.97 C ATOM 443 SD MET A 14 -2.024 6.719 -5.832 1.00 1.15 S ATOM 444 CE MET A 14 -0.317 6.735 -6.373 1.00 1.04 C ATOM 0 H MET A 14 -2.018 2.573 -7.448 1.00 0.55 H new ATOM 0 HA MET A 14 -1.988 1.956 -4.698 1.00 0.64 H new ATOM 0 HB2 MET A 14 -1.816 4.329 -4.342 1.00 0.82 H new ATOM 0 HB3 MET A 14 -0.810 3.874 -5.703 1.00 0.82 H new ATOM 0 HG2 MET A 14 -2.313 4.829 -7.281 1.00 0.97 H new ATOM 0 HG3 MET A 14 -3.610 4.940 -6.108 1.00 0.97 H new ATOM 0 HE1 MET A 14 0.115 7.718 -6.185 1.00 1.04 H new ATOM 0 HE2 MET A 14 0.246 5.980 -5.824 1.00 1.04 H new ATOM 0 HE3 MET A 14 -0.271 6.517 -7.440 1.00 1.04 H new ATOM 454 N PRO A 15 -4.292 2.311 -3.746 1.00 0.62 N ATOM 455 CA PRO A 15 -5.667 2.268 -3.254 1.00 0.67 C ATOM 456 C PRO A 15 -6.225 3.659 -2.966 1.00 0.59 C ATOM 457 O PRO A 15 -5.457 4.623 -2.883 1.00 0.57 O ATOM 458 CB PRO A 15 -5.550 1.455 -1.963 1.00 0.88 C ATOM 459 CG PRO A 15 -4.162 1.699 -1.485 1.00 0.90 C ATOM 460 CD PRO A 15 -3.321 1.892 -2.718 1.00 0.74 C ATOM 0 HA PRO A 15 -6.352 1.838 -3.985 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -6.285 1.777 -1.225 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -5.725 0.395 -2.146 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -4.120 2.579 -0.844 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -3.800 0.857 -0.895 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -2.552 2.648 -2.563 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -2.810 0.972 -3.002 1.00 0.74 H new ATOM 468 N PRO A 16 -7.558 3.790 -2.831 1.00 0.65 N ATOM 469 CA PRO A 16 -8.209 5.075 -2.547 1.00 0.70 C ATOM 470 C PRO A 16 -7.483 5.878 -1.470 1.00 0.71 C ATOM 471 O PRO A 16 -7.296 7.087 -1.603 1.00 0.74 O ATOM 472 CB PRO A 16 -9.588 4.651 -2.056 1.00 0.85 C ATOM 473 CG PRO A 16 -9.869 3.397 -2.806 1.00 0.96 C ATOM 474 CD PRO A 16 -8.544 2.698 -2.951 1.00 0.76 C ATOM 0 HA PRO A 16 -8.224 5.730 -3.418 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -9.593 4.481 -0.979 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.337 5.415 -2.262 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -10.583 2.773 -2.269 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -10.305 3.614 -3.781 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.402 1.944 -2.177 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -8.463 2.189 -3.911 1.00 0.76 H new ATOM 482 N GLU A 17 -7.049 5.174 -0.427 1.00 0.78 N ATOM 483 CA GLU A 17 -6.331 5.771 0.698 1.00 0.89 C ATOM 484 C GLU A 17 -5.170 6.659 0.236 1.00 0.84 C ATOM 485 O GLU A 17 -4.876 7.677 0.854 1.00 1.13 O ATOM 486 CB GLU A 17 -5.792 4.679 1.630 1.00 1.09 C ATOM 487 CG GLU A 17 -6.862 3.747 2.185 1.00 1.48 C ATOM 488 CD GLU A 17 -7.136 2.549 1.293 1.00 1.36 C ATOM 489 OE1 GLU A 17 -7.806 2.715 0.254 1.00 1.65 O ATOM 490 OE2 GLU A 17 -6.693 1.432 1.636 1.00 1.83 O ATOM 0 H GLU A 17 -7.186 4.167 -0.338 1.00 0.78 H new ATOM 0 HA GLU A 17 -7.045 6.397 1.233 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -5.055 4.086 1.088 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -5.271 5.152 2.462 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -6.553 3.395 3.169 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -7.787 4.308 2.323 1.00 1.48 H new ATOM 497 N ALA A 18 -4.520 6.282 -0.853 1.00 0.72 N ATOM 498 CA ALA A 18 -3.380 7.041 -1.347 1.00 0.73 C ATOM 499 C ALA A 18 -3.801 8.029 -2.429 1.00 0.62 C ATOM 500 O ALA A 18 -3.091 8.998 -2.708 1.00 0.72 O ATOM 501 CB ALA A 18 -2.310 6.095 -1.873 1.00 0.82 C ATOM 0 H ALA A 18 -4.759 5.461 -1.409 1.00 0.72 H new ATOM 0 HA ALA A 18 -2.967 7.614 -0.517 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -1.462 6.673 -2.240 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -1.980 5.436 -1.070 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -2.721 5.497 -2.687 1.00 0.82 H new ATOM 507 N ARG A 19 -4.965 7.793 -3.023 1.00 0.52 N ATOM 508 CA ARG A 19 -5.436 8.617 -4.127 1.00 0.49 C ATOM 509 C ARG A 19 -6.227 9.814 -3.627 1.00 0.50 C ATOM 510 O ARG A 19 -6.054 10.918 -4.127 1.00 0.52 O ATOM 511 CB ARG A 19 -6.291 7.798 -5.090 1.00 0.52 C ATOM 512 CG ARG A 19 -5.590 6.548 -5.588 1.00 0.64 C ATOM 513 CD ARG A 19 -6.209 6.016 -6.867 1.00 0.72 C ATOM 514 NE ARG A 19 -7.583 5.553 -6.682 1.00 1.01 N ATOM 515 CZ ARG A 19 -8.081 4.469 -7.277 1.00 1.43 C ATOM 516 NH1 ARG A 19 -7.311 3.728 -8.067 1.00 1.46 N ATOM 517 NH2 ARG A 19 -9.348 4.125 -7.081 1.00 2.16 N ATOM 0 H ARG A 19 -5.598 7.039 -2.758 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.556 8.983 -4.657 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.218 7.514 -4.592 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.564 8.419 -5.943 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.536 6.768 -5.760 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -5.633 5.778 -4.818 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -6.193 6.799 -7.626 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -5.601 5.194 -7.245 1.00 0.72 H new ATOM 0 HE ARG A 19 -8.194 6.088 -6.064 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -6.337 3.988 -8.219 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -7.694 2.899 -8.521 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -9.942 4.690 -6.474 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -9.728 3.295 -7.537 1.00 2.16 H new ATOM 531 N ASP A 20 -7.088 9.588 -2.637 1.00 0.53 N ATOM 532 CA ASP A 20 -7.942 10.635 -2.085 1.00 0.57 C ATOM 533 C ASP A 20 -7.143 11.870 -1.695 1.00 0.56 C ATOM 534 O ASP A 20 -7.577 12.995 -1.934 1.00 0.57 O ATOM 535 CB ASP A 20 -8.712 10.106 -0.881 1.00 0.63 C ATOM 536 CG ASP A 20 -9.990 9.403 -1.276 1.00 0.80 C ATOM 537 OD1 ASP A 20 -9.949 8.190 -1.559 1.00 1.06 O ATOM 538 OD2 ASP A 20 -11.049 10.063 -1.315 1.00 0.98 O ATOM 0 H ASP A 20 -7.212 8.676 -2.197 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.646 10.929 -2.863 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -8.079 9.416 -0.323 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -8.948 10.934 -0.212 1.00 0.63 H new ATOM 543 N PHE A 21 -5.978 11.660 -1.109 1.00 0.57 N ATOM 544 CA PHE A 21 -5.093 12.761 -0.756 1.00 0.57 C ATOM 545 C PHE A 21 -4.657 13.547 -1.999 1.00 0.55 C ATOM 546 O PHE A 21 -4.941 14.733 -2.080 1.00 0.64 O ATOM 547 CB PHE A 21 -3.885 12.260 0.036 1.00 0.60 C ATOM 548 CG PHE A 21 -3.085 13.374 0.651 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.654 14.232 1.574 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.753 13.555 0.306 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.913 15.251 2.142 1.00 0.65 C ATOM 552 CE2 PHE A 21 -1.008 14.571 0.871 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.616 15.444 1.782 1.00 0.63 C ATOM 0 H PHE A 21 -5.620 10.736 -0.866 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.651 13.445 -0.116 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.227 11.588 0.823 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.241 11.678 -0.623 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.689 14.104 1.854 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.294 12.893 -0.413 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -3.367 15.899 2.877 1.00 0.65 H new ATOM 0 HE2 PHE A 21 0.034 14.691 0.613 1.00 0.65 H new ATOM 0 HZ PHE A 21 -1.056 16.269 2.198 1.00 0.63 H new ATOM 563 N LEU A 22 -4.013 12.930 -2.974 1.00 0.56 N ATOM 564 CA LEU A 22 -3.585 13.687 -4.162 1.00 0.55 C ATOM 565 C LEU A 22 -4.759 14.041 -5.075 1.00 0.54 C ATOM 566 O LEU A 22 -4.606 14.850 -5.991 1.00 0.57 O ATOM 567 CB LEU A 22 -2.493 12.964 -4.945 1.00 0.56 C ATOM 568 CG LEU A 22 -1.091 13.043 -4.349 1.00 0.65 C ATOM 569 CD1 LEU A 22 -0.114 12.264 -5.215 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.647 14.497 -4.209 1.00 1.13 C ATOM 0 H LEU A 22 -3.775 11.938 -2.980 1.00 0.56 H new ATOM 0 HA LEU A 22 -3.162 14.619 -3.788 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.771 11.914 -5.036 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.463 13.374 -5.954 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.107 12.598 -3.354 1.00 0.65 H new ATOM 0 HD11 LEU A 22 0.885 12.326 -4.782 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.424 11.220 -5.265 1.00 1.04 H new ATOM 0 HD13 LEU A 22 -0.101 12.687 -6.220 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.355 14.532 -3.782 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.640 14.971 -5.190 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -1.339 15.027 -3.554 1.00 1.13 H new ATOM 582 N GLN A 23 -5.911 13.446 -4.838 1.00 0.52 N ATOM 583 CA GLN A 23 -7.150 13.939 -5.419 1.00 0.52 C ATOM 584 C GLN A 23 -7.501 15.301 -4.805 1.00 0.53 C ATOM 585 O GLN A 23 -7.965 16.210 -5.496 1.00 0.54 O ATOM 586 CB GLN A 23 -8.263 12.912 -5.170 1.00 0.53 C ATOM 587 CG GLN A 23 -9.539 13.160 -5.959 1.00 0.78 C ATOM 588 CD GLN A 23 -10.444 14.203 -5.330 1.00 1.38 C ATOM 589 OE1 GLN A 23 -10.474 14.243 -4.008 1.00 2.05 O flip ATOM 590 NE2 GLN A 23 -11.136 14.944 -6.028 1.00 2.06 N flip ATOM 0 H GLN A 23 -6.018 12.621 -4.248 1.00 0.52 H new ATOM 0 HA GLN A 23 -7.036 14.074 -6.495 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -7.886 11.920 -5.416 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.504 12.907 -4.107 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.277 13.478 -6.968 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -10.087 12.223 -6.052 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -11.084 14.882 -7.045 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -11.761 15.620 -5.590 1.00 2.06 H new ATOM 599 N ASN A 24 -7.266 15.428 -3.502 1.00 0.58 N ATOM 600 CA ASN A 24 -7.514 16.680 -2.783 1.00 0.65 C ATOM 601 C ASN A 24 -6.513 17.755 -3.191 1.00 0.60 C ATOM 602 O ASN A 24 -6.895 18.875 -3.526 1.00 0.63 O ATOM 603 CB ASN A 24 -7.450 16.465 -1.266 1.00 0.85 C ATOM 604 CG ASN A 24 -8.791 16.093 -0.659 1.00 1.10 C ATOM 605 OD1 ASN A 24 -9.557 16.963 -0.243 1.00 1.84 O ATOM 606 ND2 ASN A 24 -9.085 14.805 -0.596 1.00 1.21 N ATOM 0 H ASN A 24 -6.902 14.676 -2.917 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.516 17.015 -3.050 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -6.728 15.678 -1.047 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -7.083 17.375 -0.791 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -9.972 14.503 -0.192 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -8.425 14.113 -0.951 1.00 1.21 H new ATOM 613 N LEU A 25 -5.232 17.405 -3.155 1.00 0.60 N ATOM 614 CA LEU A 25 -4.167 18.318 -3.534 1.00 0.65 C ATOM 615 C LEU A 25 -4.327 18.787 -4.975 1.00 0.64 C ATOM 616 O LEU A 25 -4.698 18.016 -5.862 1.00 0.64 O ATOM 617 CB LEU A 25 -2.804 17.636 -3.371 1.00 0.76 C ATOM 618 CG LEU A 25 -2.268 17.497 -1.944 1.00 0.59 C ATOM 619 CD1 LEU A 25 -1.909 18.852 -1.390 1.00 0.81 C ATOM 620 CD2 LEU A 25 -3.260 16.823 -1.022 1.00 1.05 C ATOM 0 H LEU A 25 -4.906 16.483 -2.863 1.00 0.60 H new ATOM 0 HA LEU A 25 -4.225 19.186 -2.878 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.868 16.640 -3.808 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -2.073 18.194 -3.956 1.00 0.76 H new ATOM 0 HG LEU A 25 -1.380 16.867 -1.996 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.529 18.741 -0.374 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -1.143 19.310 -2.016 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.795 19.487 -1.378 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -2.834 16.748 -0.022 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -4.177 17.411 -0.982 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -3.485 15.824 -1.397 1.00 1.05 H new ATOM 632 N SER A 26 -4.014 20.053 -5.200 1.00 0.73 N ATOM 633 CA SER A 26 -4.106 20.635 -6.526 1.00 0.83 C ATOM 634 C SER A 26 -2.941 21.587 -6.772 1.00 1.02 C ATOM 635 O SER A 26 -1.932 21.200 -7.358 1.00 1.78 O ATOM 636 CB SER A 26 -5.447 21.347 -6.704 1.00 0.93 C ATOM 637 OG SER A 26 -5.716 22.210 -5.611 1.00 1.72 O ATOM 0 H SER A 26 -3.693 20.698 -4.478 1.00 0.73 H new ATOM 0 HA SER A 26 -4.048 19.835 -7.264 1.00 0.83 H new ATOM 0 HB2 SER A 26 -5.437 21.921 -7.631 1.00 0.93 H new ATOM 0 HB3 SER A 26 -6.245 20.610 -6.794 1.00 0.93 H new ATOM 0 HG SER A 26 -6.578 22.655 -5.750 1.00 1.72 H new ATOM 643 N ASP A 27 -3.076 22.815 -6.301 1.00 0.96 N ATOM 644 CA ASP A 27 -2.007 23.800 -6.398 1.00 1.11 C ATOM 645 C ASP A 27 -1.901 24.545 -5.081 1.00 1.13 C ATOM 646 O ASP A 27 -2.845 24.554 -4.293 1.00 1.95 O ATOM 647 CB ASP A 27 -2.259 24.786 -7.546 1.00 1.42 C ATOM 648 CG ASP A 27 -3.370 25.777 -7.248 1.00 1.84 C ATOM 649 OD1 ASP A 27 -4.557 25.395 -7.335 1.00 2.19 O ATOM 650 OD2 ASP A 27 -3.065 26.941 -6.917 1.00 2.39 O ATOM 0 H ASP A 27 -3.921 23.157 -5.844 1.00 0.96 H new ATOM 0 HA ASP A 27 -1.071 23.283 -6.609 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -1.340 25.333 -7.756 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -2.511 24.228 -8.448 1.00 1.42 H new ATOM 655 N GLY A 28 -0.749 25.147 -4.831 1.00 0.93 N ATOM 656 CA GLY A 28 -0.532 25.849 -3.582 1.00 0.87 C ATOM 657 C GLY A 28 -0.221 24.914 -2.427 1.00 0.75 C ATOM 658 O GLY A 28 0.767 25.100 -1.719 1.00 0.73 O ATOM 0 H GLY A 28 0.043 25.162 -5.473 1.00 0.93 H new ATOM 0 HA2 GLY A 28 0.291 26.553 -3.705 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -1.419 26.434 -3.341 1.00 0.87 H new ATOM 662 N ASP A 29 -1.060 23.905 -2.238 1.00 0.70 N ATOM 663 CA ASP A 29 -0.910 22.978 -1.125 1.00 0.67 C ATOM 664 C ASP A 29 0.327 22.110 -1.297 1.00 0.59 C ATOM 665 O ASP A 29 1.089 21.919 -0.357 1.00 0.60 O ATOM 666 CB ASP A 29 -2.148 22.088 -0.999 1.00 0.80 C ATOM 667 CG ASP A 29 -3.429 22.875 -0.823 1.00 1.47 C ATOM 668 OD1 ASP A 29 -4.042 23.249 -1.841 1.00 2.25 O ATOM 669 OD2 ASP A 29 -3.834 23.116 0.330 1.00 1.74 O ATOM 0 H ASP A 29 -1.856 23.707 -2.845 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.797 23.568 -0.216 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -2.231 21.464 -1.889 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -2.021 21.417 -0.149 1.00 0.80 H new ATOM 674 N LYS A 30 0.539 21.605 -2.509 1.00 0.63 N ATOM 675 CA LYS A 30 1.685 20.735 -2.788 1.00 0.65 C ATOM 676 C LYS A 30 3.003 21.468 -2.541 1.00 0.61 C ATOM 677 O LYS A 30 4.047 20.847 -2.351 1.00 0.65 O ATOM 678 CB LYS A 30 1.635 20.230 -4.227 1.00 0.78 C ATOM 679 CG LYS A 30 0.415 19.380 -4.543 1.00 0.92 C ATOM 680 CD LYS A 30 0.333 19.089 -6.030 1.00 0.89 C ATOM 681 CE LYS A 30 -0.913 18.309 -6.395 1.00 0.96 C ATOM 682 NZ LYS A 30 -1.182 18.380 -7.853 1.00 1.31 N ATOM 0 H LYS A 30 -0.063 21.780 -3.313 1.00 0.63 H new ATOM 0 HA LYS A 30 1.630 19.883 -2.110 1.00 0.65 H new ATOM 0 HB2 LYS A 30 1.653 21.086 -4.902 1.00 0.78 H new ATOM 0 HB3 LYS A 30 2.533 19.646 -4.428 1.00 0.78 H new ATOM 0 HG2 LYS A 30 0.464 18.444 -3.987 1.00 0.92 H new ATOM 0 HG3 LYS A 30 -0.488 19.897 -4.218 1.00 0.92 H new ATOM 0 HD2 LYS A 30 0.346 20.028 -6.583 1.00 0.89 H new ATOM 0 HD3 LYS A 30 1.214 18.526 -6.337 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -0.795 17.268 -6.095 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -1.767 18.704 -5.845 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.969 17.743 -8.092 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -1.434 19.355 -8.112 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -0.331 18.092 -8.377 1.00 1.31 H new ATOM 696 N THR A 31 2.934 22.793 -2.538 1.00 0.60 N ATOM 697 CA THR A 31 4.087 23.633 -2.276 1.00 0.61 C ATOM 698 C THR A 31 4.607 23.419 -0.861 1.00 0.52 C ATOM 699 O THR A 31 5.811 23.370 -0.627 1.00 0.54 O ATOM 700 CB THR A 31 3.710 25.112 -2.448 1.00 0.68 C ATOM 701 OG1 THR A 31 3.154 25.319 -3.757 1.00 0.80 O ATOM 702 CG2 THR A 31 4.917 26.017 -2.252 1.00 0.76 C ATOM 0 H THR A 31 2.075 23.312 -2.718 1.00 0.60 H new ATOM 0 HA THR A 31 4.867 23.361 -2.987 1.00 0.61 H new ATOM 0 HB THR A 31 2.971 25.366 -1.688 1.00 0.68 H new ATOM 0 HG1 THR A 31 2.912 26.263 -3.864 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.617 27.057 -2.380 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.318 25.876 -1.248 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.682 25.767 -2.987 1.00 0.76 H new ATOM 710 N VAL A 32 3.692 23.277 0.081 1.00 0.50 N ATOM 711 CA VAL A 32 4.069 23.134 1.468 1.00 0.50 C ATOM 712 C VAL A 32 4.482 21.689 1.761 1.00 0.47 C ATOM 713 O VAL A 32 5.282 21.435 2.661 1.00 0.48 O ATOM 714 CB VAL A 32 2.930 23.589 2.406 1.00 0.57 C ATOM 715 CG1 VAL A 32 1.818 22.569 2.466 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.464 23.891 3.789 1.00 0.85 C ATOM 0 H VAL A 32 2.687 23.258 -0.092 1.00 0.50 H new ATOM 0 HA VAL A 32 4.926 23.781 1.658 1.00 0.50 H new ATOM 0 HB VAL A 32 2.508 24.506 1.994 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.035 22.924 3.136 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.404 22.423 1.468 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.212 21.623 2.837 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.645 24.210 4.434 1.00 0.85 H new ATOM 0 HG22 VAL A 32 3.925 22.995 4.205 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.207 24.686 3.727 1.00 0.85 H new ATOM 720 N LEU A 33 3.936 20.749 0.985 1.00 0.48 N ATOM 721 CA LEU A 33 4.338 19.348 1.065 1.00 0.49 C ATOM 722 C LEU A 33 5.849 19.192 0.889 1.00 0.50 C ATOM 723 O LEU A 33 6.527 18.644 1.757 1.00 0.54 O ATOM 724 CB LEU A 33 3.615 18.519 -0.011 1.00 0.53 C ATOM 725 CG LEU A 33 2.234 17.946 0.361 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.341 17.010 1.550 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.220 19.039 0.641 1.00 0.74 C ATOM 0 H LEU A 33 3.211 20.937 0.292 1.00 0.48 H new ATOM 0 HA LEU A 33 4.061 18.985 2.055 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.496 19.143 -0.897 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.263 17.688 -0.291 1.00 0.53 H new ATOM 0 HG LEU A 33 1.880 17.382 -0.502 1.00 0.58 H new ATOM 0 HD11 LEU A 33 1.354 16.618 1.794 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.009 16.184 1.304 1.00 0.98 H new ATOM 0 HD13 LEU A 33 2.737 17.554 2.407 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.261 18.589 0.899 1.00 0.74 H new ATOM 0 HD22 LEU A 33 1.567 19.654 1.472 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.102 19.661 -0.246 1.00 0.74 H new ATOM 739 N LYS A 34 6.373 19.692 -0.227 1.00 0.51 N ATOM 740 CA LYS A 34 7.790 19.520 -0.563 1.00 0.56 C ATOM 741 C LYS A 34 8.708 20.151 0.489 1.00 0.53 C ATOM 742 O LYS A 34 9.852 19.729 0.660 1.00 0.59 O ATOM 743 CB LYS A 34 8.085 20.101 -1.951 1.00 0.65 C ATOM 744 CG LYS A 34 7.707 21.565 -2.099 1.00 0.93 C ATOM 745 CD LYS A 34 7.909 22.068 -3.521 1.00 0.89 C ATOM 746 CE LYS A 34 6.986 21.367 -4.508 1.00 1.70 C ATOM 747 NZ LYS A 34 7.084 21.957 -5.866 1.00 2.41 N ATOM 0 H LYS A 34 5.840 20.221 -0.917 1.00 0.51 H new ATOM 0 HA LYS A 34 7.996 18.450 -0.575 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.148 19.987 -2.163 1.00 0.65 H new ATOM 0 HB3 LYS A 34 7.547 19.519 -2.699 1.00 0.65 H new ATOM 0 HG2 LYS A 34 6.664 21.700 -1.812 1.00 0.93 H new ATOM 0 HG3 LYS A 34 8.307 22.165 -1.414 1.00 0.93 H new ATOM 0 HD2 LYS A 34 7.728 23.142 -3.555 1.00 0.89 H new ATOM 0 HD3 LYS A 34 8.946 21.910 -3.818 1.00 0.89 H new ATOM 0 HE2 LYS A 34 7.238 20.308 -4.553 1.00 1.70 H new ATOM 0 HE3 LYS A 34 5.957 21.435 -4.155 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 6.441 21.454 -6.510 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 6.819 22.962 -5.828 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 8.061 21.869 -6.213 1.00 2.41 H new ATOM 761 N GLU A 35 8.192 21.146 1.201 1.00 0.47 N ATOM 762 CA GLU A 35 8.940 21.813 2.261 1.00 0.47 C ATOM 763 C GLU A 35 9.044 20.933 3.507 1.00 0.46 C ATOM 764 O GLU A 35 9.852 21.191 4.399 1.00 0.57 O ATOM 765 CB GLU A 35 8.278 23.144 2.602 1.00 0.47 C ATOM 766 CG GLU A 35 8.324 24.144 1.459 1.00 0.61 C ATOM 767 CD GLU A 35 9.743 24.491 1.054 1.00 1.26 C ATOM 768 OE1 GLU A 35 10.342 25.399 1.665 1.00 1.47 O ATOM 769 OE2 GLU A 35 10.268 23.857 0.114 1.00 1.96 O ATOM 0 H GLU A 35 7.250 21.512 1.062 1.00 0.47 H new ATOM 0 HA GLU A 35 9.952 21.997 1.902 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.239 22.966 2.879 1.00 0.47 H new ATOM 0 HB3 GLU A 35 8.771 23.575 3.474 1.00 0.47 H new ATOM 0 HG2 GLU A 35 7.793 23.734 0.600 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.800 25.053 1.754 1.00 0.61 H new ATOM 776 N VAL A 36 8.217 19.903 3.565 1.00 0.41 N ATOM 777 CA VAL A 36 8.295 18.906 4.625 1.00 0.42 C ATOM 778 C VAL A 36 9.229 17.776 4.189 1.00 0.50 C ATOM 779 O VAL A 36 10.138 17.372 4.918 1.00 0.62 O ATOM 780 CB VAL A 36 6.890 18.341 4.949 1.00 0.43 C ATOM 781 CG1 VAL A 36 6.955 17.281 6.038 1.00 0.98 C ATOM 782 CG2 VAL A 36 5.947 19.462 5.357 1.00 0.74 C ATOM 0 H VAL A 36 7.476 19.733 2.885 1.00 0.41 H new ATOM 0 HA VAL A 36 8.688 19.377 5.526 1.00 0.42 H new ATOM 0 HB VAL A 36 6.505 17.869 4.045 1.00 0.43 H new ATOM 0 HG11 VAL A 36 5.952 16.906 6.241 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.590 16.459 5.708 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.370 17.718 6.947 1.00 0.98 H new ATOM 0 HG21 VAL A 36 4.964 19.047 5.581 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.339 19.964 6.241 1.00 0.74 H new ATOM 0 HG23 VAL A 36 5.860 20.180 4.541 1.00 0.74 H new ATOM 786 N PHE A 37 8.997 17.306 2.971 1.00 0.49 N ATOM 787 CA PHE A 37 9.804 16.279 2.324 1.00 0.54 C ATOM 788 C PHE A 37 11.293 16.612 2.252 1.00 0.59 C ATOM 789 O PHE A 37 12.127 15.753 2.536 1.00 0.66 O ATOM 790 CB PHE A 37 9.249 16.053 0.922 1.00 0.57 C ATOM 791 CG PHE A 37 7.995 15.225 0.960 1.00 0.57 C ATOM 792 CD1 PHE A 37 6.772 15.805 1.240 1.00 0.74 C ATOM 793 CD2 PHE A 37 8.047 13.857 0.755 1.00 0.66 C ATOM 794 CE1 PHE A 37 5.625 15.043 1.308 1.00 0.83 C ATOM 795 CE2 PHE A 37 6.902 13.088 0.828 1.00 0.68 C ATOM 796 CZ PHE A 37 5.689 13.682 1.105 1.00 0.71 C ATOM 0 H PHE A 37 8.225 17.635 2.392 1.00 0.49 H new ATOM 0 HA PHE A 37 9.737 15.377 2.933 1.00 0.54 H new ATOM 0 HB2 PHE A 37 9.039 17.014 0.452 1.00 0.57 H new ATOM 0 HB3 PHE A 37 9.999 15.554 0.307 1.00 0.57 H new ATOM 0 HD1 PHE A 37 6.714 16.870 1.408 1.00 0.74 H new ATOM 0 HD2 PHE A 37 8.994 13.386 0.535 1.00 0.66 H new ATOM 0 HE1 PHE A 37 4.676 15.513 1.520 1.00 0.83 H new ATOM 0 HE2 PHE A 37 6.957 12.021 0.668 1.00 0.68 H new ATOM 0 HZ PHE A 37 4.792 13.083 1.163 1.00 0.71 H new ATOM 806 N LYS A 38 11.645 17.838 1.873 1.00 0.60 N ATOM 807 CA LYS A 38 13.060 18.177 1.719 1.00 0.69 C ATOM 808 C LYS A 38 13.682 18.598 3.044 1.00 0.78 C ATOM 809 O LYS A 38 14.772 19.173 3.084 1.00 1.02 O ATOM 810 CB LYS A 38 13.268 19.267 0.665 1.00 0.75 C ATOM 811 CG LYS A 38 12.886 18.859 -0.736 1.00 0.76 C ATOM 812 CD LYS A 38 13.296 19.928 -1.727 1.00 0.91 C ATOM 813 CE LYS A 38 12.725 19.652 -3.097 1.00 1.37 C ATOM 814 NZ LYS A 38 13.143 20.673 -4.095 1.00 2.18 N ATOM 0 H LYS A 38 10.992 18.595 1.671 1.00 0.60 H new ATOM 0 HA LYS A 38 13.565 17.273 1.377 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.685 20.144 0.947 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.316 19.566 0.671 1.00 0.75 H new ATOM 0 HG2 LYS A 38 13.367 17.914 -0.990 1.00 0.76 H new ATOM 0 HG3 LYS A 38 11.810 18.694 -0.793 1.00 0.76 H new ATOM 0 HD2 LYS A 38 12.954 20.902 -1.377 1.00 0.91 H new ATOM 0 HD3 LYS A 38 14.383 19.975 -1.786 1.00 0.91 H new ATOM 0 HE2 LYS A 38 13.047 18.666 -3.431 1.00 1.37 H new ATOM 0 HE3 LYS A 38 11.637 19.628 -3.037 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 12.728 20.444 -5.021 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 12.814 21.611 -3.791 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 14.180 20.679 -4.172 1.00 2.18 H new ATOM 828 N ALA A 39 12.975 18.318 4.117 1.00 0.71 N ATOM 829 CA ALA A 39 13.489 18.530 5.454 1.00 0.87 C ATOM 830 C ALA A 39 13.719 17.191 6.137 1.00 0.82 C ATOM 831 O ALA A 39 14.856 16.718 6.190 1.00 1.56 O ATOM 832 CB ALA A 39 12.544 19.405 6.263 1.00 1.06 C ATOM 0 H ALA A 39 12.029 17.938 4.088 1.00 0.71 H new ATOM 0 HA ALA A 39 14.443 19.052 5.387 1.00 0.87 H new ATOM 0 HB1 ALA A 39 12.950 19.551 7.264 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.433 20.372 5.772 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.570 18.920 6.334 1.00 1.06 H new ATOM 838 N GLY A 40 12.650 16.559 6.605 1.00 0.78 N ATOM 839 CA GLY A 40 12.788 15.329 7.377 1.00 1.03 C ATOM 840 C GLY A 40 13.873 15.424 8.447 1.00 1.29 C ATOM 841 O GLY A 40 14.118 16.509 8.984 1.00 1.54 O ATOM 0 H GLY A 40 11.689 16.872 6.466 1.00 0.78 H new ATOM 0 HA2 GLY A 40 11.835 15.094 7.851 1.00 1.03 H new ATOM 0 HA3 GLY A 40 13.020 14.505 6.702 1.00 1.03 H new ATOM 845 N PRO A 41 14.520 14.303 8.808 1.00 1.37 N ATOM 846 CA PRO A 41 14.127 12.966 8.394 1.00 1.22 C ATOM 847 C PRO A 41 13.182 12.334 9.409 1.00 1.09 C ATOM 848 O PRO A 41 13.256 12.616 10.607 1.00 1.18 O ATOM 849 CB PRO A 41 15.458 12.205 8.331 1.00 1.37 C ATOM 850 CG PRO A 41 16.460 13.047 9.075 1.00 1.60 C ATOM 851 CD PRO A 41 15.729 14.250 9.627 1.00 1.68 C ATOM 0 HA PRO A 41 13.588 12.957 7.447 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.364 11.219 8.786 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.770 12.051 7.298 1.00 1.37 H new ATOM 0 HG2 PRO A 41 16.917 12.474 9.882 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.265 13.360 8.410 1.00 1.60 H new ATOM 0 HD2 PRO A 41 15.495 14.130 10.685 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.321 15.160 9.533 1.00 1.68 H new ATOM 859 N TYR A 42 12.291 11.487 8.928 1.00 0.99 N ATOM 860 CA TYR A 42 11.225 10.947 9.755 1.00 0.92 C ATOM 861 C TYR A 42 11.352 9.441 9.894 1.00 0.97 C ATOM 862 O TYR A 42 11.363 8.704 8.909 1.00 1.08 O ATOM 863 CB TYR A 42 9.868 11.326 9.157 1.00 0.85 C ATOM 864 CG TYR A 42 9.739 12.812 8.889 1.00 0.87 C ATOM 865 CD1 TYR A 42 9.981 13.735 9.899 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.392 13.293 7.633 1.00 0.99 C ATOM 867 CE1 TYR A 42 9.881 15.089 9.667 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.287 14.651 7.393 1.00 1.10 C ATOM 869 CZ TYR A 42 9.534 15.544 8.417 1.00 1.12 C ATOM 870 OH TYR A 42 9.449 16.896 8.186 1.00 1.28 O ATOM 0 H TYR A 42 12.284 11.156 7.963 1.00 0.99 H new ATOM 0 HA TYR A 42 11.305 11.376 10.754 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.721 10.779 8.226 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.076 11.014 9.838 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.252 13.384 10.884 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.201 12.595 6.831 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.075 15.791 10.465 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.014 15.010 6.412 1.00 1.10 H new ATOM 0 HH TYR A 42 9.433 17.063 7.220 1.00 1.28 H new ATOM 880 N LYS A 43 11.454 9.004 11.135 1.00 0.96 N ATOM 881 CA LYS A 43 11.561 7.592 11.463 1.00 1.01 C ATOM 882 C LYS A 43 10.174 6.991 11.627 1.00 0.98 C ATOM 883 O LYS A 43 10.014 5.778 11.774 1.00 1.06 O ATOM 884 CB LYS A 43 12.373 7.424 12.749 1.00 1.10 C ATOM 885 CG LYS A 43 11.757 8.103 13.962 1.00 1.72 C ATOM 886 CD LYS A 43 12.772 8.296 15.076 1.00 2.26 C ATOM 887 CE LYS A 43 13.836 9.315 14.692 1.00 2.94 C ATOM 888 NZ LYS A 43 13.260 10.672 14.483 1.00 3.51 N ATOM 0 H LYS A 43 11.465 9.620 11.948 1.00 0.96 H new ATOM 0 HA LYS A 43 12.071 7.070 10.654 1.00 1.01 H new ATOM 0 HB2 LYS A 43 12.486 6.360 12.959 1.00 1.10 H new ATOM 0 HB3 LYS A 43 13.374 7.825 12.590 1.00 1.10 H new ATOM 0 HG2 LYS A 43 11.350 9.071 13.669 1.00 1.72 H new ATOM 0 HG3 LYS A 43 10.923 7.505 14.329 1.00 1.72 H new ATOM 0 HD2 LYS A 43 12.262 8.625 15.981 1.00 2.26 H new ATOM 0 HD3 LYS A 43 13.247 7.342 15.306 1.00 2.26 H new ATOM 0 HE2 LYS A 43 14.594 9.360 15.474 1.00 2.94 H new ATOM 0 HE3 LYS A 43 14.337 8.990 13.780 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 14.021 11.338 14.240 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 12.567 10.639 13.708 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 12.789 10.987 15.355 1.00 3.51 H new ATOM 902 N ASN A 44 9.169 7.851 11.593 1.00 0.88 N ATOM 903 CA ASN A 44 7.790 7.430 11.725 1.00 0.85 C ATOM 904 C ASN A 44 6.883 8.408 10.989 1.00 0.80 C ATOM 905 O ASN A 44 7.292 9.531 10.686 1.00 0.85 O ATOM 906 CB ASN A 44 7.397 7.347 13.203 1.00 0.89 C ATOM 907 CG ASN A 44 7.488 8.689 13.902 1.00 0.95 C ATOM 908 OD1 ASN A 44 6.515 9.433 13.963 1.00 1.52 O ATOM 909 ND2 ASN A 44 8.666 9.019 14.410 1.00 1.10 N ATOM 0 H ASN A 44 9.289 8.857 11.473 1.00 0.88 H new ATOM 0 HA ASN A 44 7.677 6.439 11.284 1.00 0.85 H new ATOM 0 HB2 ASN A 44 6.379 6.966 13.284 1.00 0.89 H new ATOM 0 HB3 ASN A 44 8.046 6.632 13.709 1.00 0.89 H new ATOM 0 HD21 ASN A 44 8.788 9.920 14.872 1.00 1.10 H new ATOM 0 HD22 ASN A 44 9.451 8.372 14.339 1.00 1.10 H new ATOM 916 N THR A 45 5.661 7.984 10.715 1.00 0.77 N ATOM 917 CA THR A 45 4.720 8.797 9.961 1.00 0.76 C ATOM 918 C THR A 45 4.265 10.009 10.771 1.00 0.74 C ATOM 919 O THR A 45 4.026 11.083 10.217 1.00 0.92 O ATOM 920 CB THR A 45 3.496 7.959 9.546 1.00 0.84 C ATOM 921 OG1 THR A 45 3.929 6.755 8.898 1.00 1.05 O ATOM 922 CG2 THR A 45 2.581 8.736 8.611 1.00 1.18 C ATOM 0 H THR A 45 5.295 7.077 11.005 1.00 0.77 H new ATOM 0 HA THR A 45 5.231 9.152 9.066 1.00 0.76 H new ATOM 0 HB THR A 45 2.935 7.715 10.448 1.00 0.84 H new ATOM 0 HG1 THR A 45 3.367 6.007 9.189 1.00 1.05 H new ATOM 0 HG21 THR A 45 1.728 8.115 8.338 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.228 9.637 9.113 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.131 9.013 7.711 1.00 1.18 H new ATOM 930 N GLU A 46 4.183 9.835 12.089 1.00 0.72 N ATOM 931 CA GLU A 46 3.689 10.878 12.984 1.00 0.71 C ATOM 932 C GLU A 46 4.542 12.142 12.888 1.00 0.66 C ATOM 933 O GLU A 46 4.012 13.251 12.924 1.00 0.65 O ATOM 934 CB GLU A 46 3.657 10.367 14.424 1.00 0.79 C ATOM 935 CG GLU A 46 2.760 9.154 14.620 1.00 1.41 C ATOM 936 CD GLU A 46 2.768 8.646 16.046 1.00 1.82 C ATOM 937 OE1 GLU A 46 2.250 9.350 16.940 1.00 2.12 O ATOM 938 OE2 GLU A 46 3.288 7.536 16.285 1.00 2.24 O ATOM 0 H GLU A 46 4.455 8.974 12.563 1.00 0.72 H new ATOM 0 HA GLU A 46 2.675 11.134 12.675 1.00 0.71 H new ATOM 0 HB2 GLU A 46 4.671 10.112 14.733 1.00 0.79 H new ATOM 0 HB3 GLU A 46 3.317 11.170 15.078 1.00 0.79 H new ATOM 0 HG2 GLU A 46 1.740 9.412 14.336 1.00 1.41 H new ATOM 0 HG3 GLU A 46 3.084 8.356 13.952 1.00 1.41 H new ATOM 945 N GLU A 47 5.855 11.971 12.751 1.00 0.67 N ATOM 946 CA GLU A 47 6.767 13.105 12.595 1.00 0.67 C ATOM 947 C GLU A 47 6.397 13.954 11.384 1.00 0.60 C ATOM 948 O GLU A 47 6.413 15.185 11.444 1.00 0.58 O ATOM 949 CB GLU A 47 8.210 12.633 12.442 1.00 0.73 C ATOM 950 CG GLU A 47 8.835 12.087 13.708 1.00 0.98 C ATOM 951 CD GLU A 47 10.340 11.945 13.588 1.00 1.64 C ATOM 952 OE1 GLU A 47 10.800 10.879 13.129 1.00 2.26 O ATOM 953 OE2 GLU A 47 11.074 12.888 13.956 1.00 2.03 O ATOM 0 H GLU A 47 6.312 11.059 12.745 1.00 0.67 H new ATOM 0 HA GLU A 47 6.676 13.709 13.498 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.246 11.861 11.673 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.815 13.467 12.085 1.00 0.73 H new ATOM 0 HG2 GLU A 47 8.599 12.748 14.542 1.00 0.98 H new ATOM 0 HG3 GLU A 47 8.397 11.116 13.938 1.00 0.98 H new ATOM 960 N SER A 48 6.070 13.291 10.284 1.00 0.58 N ATOM 961 CA SER A 48 5.725 13.983 9.053 1.00 0.54 C ATOM 962 C SER A 48 4.367 14.662 9.195 1.00 0.51 C ATOM 963 O SER A 48 4.158 15.766 8.694 1.00 0.49 O ATOM 964 CB SER A 48 5.714 13.002 7.878 1.00 0.57 C ATOM 965 OG SER A 48 5.512 13.675 6.648 1.00 1.19 O ATOM 0 H SER A 48 6.037 12.274 10.220 1.00 0.58 H new ATOM 0 HA SER A 48 6.477 14.748 8.857 1.00 0.54 H new ATOM 0 HB2 SER A 48 6.658 12.458 7.847 1.00 0.57 H new ATOM 0 HB3 SER A 48 4.926 12.264 8.025 1.00 0.57 H new ATOM 0 HG SER A 48 5.511 13.024 5.915 1.00 1.19 H new ATOM 971 N ILE A 49 3.453 13.998 9.888 1.00 0.51 N ATOM 972 CA ILE A 49 2.125 14.544 10.124 1.00 0.49 C ATOM 973 C ILE A 49 2.217 15.778 11.008 1.00 0.49 C ATOM 974 O ILE A 49 1.559 16.782 10.761 1.00 0.47 O ATOM 975 CB ILE A 49 1.202 13.502 10.779 1.00 0.51 C ATOM 976 CG1 ILE A 49 1.109 12.265 9.887 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.179 14.094 11.035 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.293 11.148 10.481 1.00 0.55 C ATOM 0 H ILE A 49 3.608 13.077 10.298 1.00 0.51 H new ATOM 0 HA ILE A 49 1.699 14.819 9.159 1.00 0.49 H new ATOM 0 HB ILE A 49 1.622 13.209 11.741 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.674 12.551 8.929 1.00 0.52 H new ATOM 0 HG13 ILE A 49 2.115 11.899 9.683 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.817 13.342 11.499 1.00 0.50 H new ATOM 0 HG22 ILE A 49 -0.089 14.953 11.700 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.620 14.411 10.090 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.273 10.305 9.790 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.739 10.834 11.425 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.725 11.496 10.659 1.00 0.55 H new ATOM 985 N ALA A 50 3.051 15.681 12.031 1.00 0.52 N ATOM 986 CA ALA A 50 3.350 16.802 12.911 1.00 0.53 C ATOM 987 C ALA A 50 3.853 17.998 12.119 1.00 0.50 C ATOM 988 O ALA A 50 3.386 19.125 12.312 1.00 0.50 O ATOM 989 CB ALA A 50 4.393 16.380 13.923 1.00 0.57 C ATOM 0 H ALA A 50 3.541 14.821 12.276 1.00 0.52 H new ATOM 0 HA ALA A 50 2.434 17.096 13.424 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.619 17.217 14.583 1.00 0.57 H new ATOM 0 HB2 ALA A 50 4.012 15.546 14.512 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.301 16.072 13.403 1.00 0.57 H new ATOM 995 N ALA A 51 4.806 17.744 11.227 1.00 0.49 N ATOM 996 CA ALA A 51 5.361 18.785 10.376 1.00 0.48 C ATOM 997 C ALA A 51 4.264 19.426 9.538 1.00 0.45 C ATOM 998 O ALA A 51 4.181 20.649 9.418 1.00 0.47 O ATOM 999 CB ALA A 51 6.436 18.199 9.475 1.00 0.50 C ATOM 0 H ALA A 51 5.210 16.820 11.076 1.00 0.49 H new ATOM 0 HA ALA A 51 5.808 19.554 11.007 1.00 0.48 H new ATOM 0 HB1 ALA A 51 6.847 18.984 8.841 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.231 17.773 10.087 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.002 17.418 8.850 1.00 0.50 H new ATOM 1005 N LEU A 52 3.411 18.575 8.979 1.00 0.42 N ATOM 1006 CA LEU A 52 2.301 19.019 8.145 1.00 0.40 C ATOM 1007 C LEU A 52 1.271 19.780 8.962 1.00 0.39 C ATOM 1008 O LEU A 52 0.750 20.788 8.504 1.00 0.40 O ATOM 1009 CB LEU A 52 1.645 17.829 7.438 1.00 0.40 C ATOM 1010 CG LEU A 52 2.371 17.321 6.195 1.00 0.41 C ATOM 1011 CD1 LEU A 52 1.892 15.923 5.836 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.132 18.268 5.032 1.00 0.41 C ATOM 0 H LEU A 52 3.469 17.563 9.090 1.00 0.42 H new ATOM 0 HA LEU A 52 2.703 19.695 7.390 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.561 17.007 8.149 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.631 18.111 7.155 1.00 0.40 H new ATOM 0 HG LEU A 52 3.439 17.279 6.406 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.419 15.575 4.948 1.00 0.45 H new ATOM 0 HD12 LEU A 52 2.093 15.245 6.666 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.821 15.945 5.637 1.00 0.45 H new ATOM 0 HD21 LEU A 52 2.653 17.899 4.149 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.064 18.327 4.824 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.507 19.259 5.287 1.00 0.41 H new ATOM 1024 N LYS A 53 0.981 19.311 10.164 1.00 0.39 N ATOM 1025 CA LYS A 53 0.046 20.010 11.041 1.00 0.39 C ATOM 1026 C LYS A 53 0.555 21.408 11.380 1.00 0.40 C ATOM 1027 O LYS A 53 -0.230 22.339 11.556 1.00 0.45 O ATOM 1028 CB LYS A 53 -0.192 19.218 12.328 1.00 0.41 C ATOM 1029 CG LYS A 53 -1.036 17.966 12.140 1.00 0.42 C ATOM 1030 CD LYS A 53 -1.223 17.236 13.459 1.00 0.52 C ATOM 1031 CE LYS A 53 -2.175 16.058 13.329 1.00 0.52 C ATOM 1032 NZ LYS A 53 -2.383 15.373 14.632 1.00 1.22 N ATOM 0 H LYS A 53 1.374 18.456 10.556 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.899 20.103 10.506 1.00 0.39 H new ATOM 0 HB2 LYS A 53 0.772 18.933 12.750 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.680 19.866 13.056 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -2.008 18.236 11.728 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.557 17.304 11.418 1.00 0.42 H new ATOM 0 HD2 LYS A 53 -0.256 16.883 13.818 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.606 17.931 14.207 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -3.133 16.405 12.943 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.778 15.348 12.604 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -2.240 14.350 14.513 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -1.703 15.739 15.329 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -3.351 15.551 14.967 1.00 1.22 H new ATOM 1046 N LYS A 54 1.873 21.548 11.465 1.00 0.39 N ATOM 1047 CA LYS A 54 2.484 22.835 11.776 1.00 0.41 C ATOM 1048 C LYS A 54 2.479 23.745 10.545 1.00 0.41 C ATOM 1049 O LYS A 54 2.112 24.918 10.627 1.00 0.47 O ATOM 1050 CB LYS A 54 3.911 22.634 12.283 1.00 0.44 C ATOM 1051 CG LYS A 54 4.537 23.892 12.865 1.00 1.24 C ATOM 1052 CD LYS A 54 5.897 23.610 13.486 1.00 1.63 C ATOM 1053 CE LYS A 54 6.916 23.178 12.446 1.00 2.24 C ATOM 1054 NZ LYS A 54 7.236 24.273 11.491 1.00 3.05 N ATOM 0 H LYS A 54 2.538 20.788 11.323 1.00 0.39 H new ATOM 0 HA LYS A 54 1.899 23.315 12.560 1.00 0.41 H new ATOM 0 HB2 LYS A 54 3.910 21.854 13.044 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.532 22.277 11.461 1.00 0.44 H new ATOM 0 HG2 LYS A 54 4.644 24.641 12.081 1.00 1.24 H new ATOM 0 HG3 LYS A 54 3.873 24.313 13.620 1.00 1.24 H new ATOM 0 HD2 LYS A 54 6.256 24.504 13.996 1.00 1.63 H new ATOM 0 HD3 LYS A 54 5.797 22.831 14.241 1.00 1.63 H new ATOM 0 HE2 LYS A 54 7.829 22.854 12.946 1.00 2.24 H new ATOM 0 HE3 LYS A 54 6.531 22.319 11.897 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 8.072 24.012 10.931 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 6.427 24.427 10.855 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 7.432 25.147 12.019 1.00 3.05 H new ATOM 1068 N LYS A 55 2.888 23.191 9.409 1.00 0.42 N ATOM 1069 CA LYS A 55 2.926 23.926 8.146 1.00 0.48 C ATOM 1070 C LYS A 55 1.526 24.253 7.637 1.00 0.47 C ATOM 1071 O LYS A 55 1.241 25.397 7.280 1.00 0.58 O ATOM 1072 CB LYS A 55 3.681 23.115 7.094 1.00 0.55 C ATOM 1073 CG LYS A 55 5.191 23.160 7.239 1.00 1.23 C ATOM 1074 CD LYS A 55 5.731 24.530 6.873 1.00 1.16 C ATOM 1075 CE LYS A 55 6.769 24.442 5.769 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.349 25.772 5.453 1.00 1.48 N ATOM 0 H LYS A 55 3.202 22.223 9.336 1.00 0.42 H new ATOM 0 HA LYS A 55 3.443 24.868 8.328 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.353 22.077 7.147 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.411 23.484 6.104 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.469 22.918 8.265 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.644 22.403 6.599 1.00 1.23 H new ATOM 0 HD2 LYS A 55 4.911 25.172 6.552 1.00 1.16 H new ATOM 0 HD3 LYS A 55 6.174 24.995 7.754 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.564 23.761 6.071 1.00 1.03 H new ATOM 0 HE3 LYS A 55 6.312 24.022 4.873 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 8.054 25.672 4.695 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 6.593 26.415 5.141 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.807 26.162 6.302 1.00 1.48 H new ATOM 1090 N SER A 56 0.660 23.264 7.597 1.00 0.39 N ATOM 1091 CA SER A 56 -0.699 23.464 7.127 1.00 0.39 C ATOM 1092 C SER A 56 -1.647 22.534 7.874 1.00 0.38 C ATOM 1093 O SER A 56 -1.842 21.383 7.481 1.00 0.38 O ATOM 1094 CB SER A 56 -0.776 23.239 5.616 1.00 0.40 C ATOM 1095 OG SER A 56 0.045 24.173 4.929 1.00 1.16 O ATOM 0 H SER A 56 0.871 22.309 7.885 1.00 0.39 H new ATOM 0 HA SER A 56 -1.002 24.492 7.327 1.00 0.39 H new ATOM 0 HB2 SER A 56 -0.459 22.224 5.377 1.00 0.40 H new ATOM 0 HB3 SER A 56 -1.808 23.338 5.280 1.00 0.40 H new ATOM 0 HG SER A 56 -0.337 24.357 4.046 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.217 23.041 8.982 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.040 22.271 9.923 1.00 0.43 C ATOM 1103 C PRO A 57 -3.939 21.233 9.259 1.00 0.44 C ATOM 1104 O PRO A 57 -3.873 20.039 9.573 1.00 0.45 O ATOM 1105 CB PRO A 57 -3.889 23.358 10.568 1.00 0.48 C ATOM 1106 CG PRO A 57 -2.995 24.546 10.618 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.087 24.446 9.418 1.00 0.45 C ATOM 0 HA PRO A 57 -2.425 21.686 10.607 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.786 23.560 9.983 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.218 23.066 11.565 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.574 25.469 10.591 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.417 24.559 11.542 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.389 25.137 8.631 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.056 24.689 9.677 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.776 21.707 8.340 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.769 20.869 7.682 1.00 0.51 C ATOM 1117 C GLU A 58 -5.127 19.794 6.808 1.00 0.47 C ATOM 1118 O GLU A 58 -5.696 18.716 6.635 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.718 21.726 6.843 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.907 20.951 6.298 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.791 21.790 5.404 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -9.716 22.447 5.924 1.00 2.42 O ATOM 1123 OE2 GLU A 58 -8.567 21.796 4.177 1.00 2.45 O ATOM 0 H GLU A 58 -4.784 22.680 8.033 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.333 20.363 8.466 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -7.081 22.555 7.451 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -6.164 22.160 6.011 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -7.547 20.088 5.739 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -8.498 20.568 7.130 1.00 1.44 H new ATOM 1130 N LEU A 59 -3.939 20.057 6.272 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.304 19.079 5.401 1.00 0.48 C ATOM 1132 C LEU A 59 -2.807 17.916 6.242 1.00 0.43 C ATOM 1133 O LEU A 59 -2.879 16.753 5.846 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.151 19.693 4.604 1.00 0.56 C ATOM 1135 CG LEU A 59 -2.572 20.559 3.412 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -1.351 21.126 2.710 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -3.410 19.749 2.432 1.00 1.42 C ATOM 0 H LEU A 59 -3.409 20.916 6.421 1.00 0.46 H new ATOM 0 HA LEU A 59 -4.041 18.727 4.679 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -1.547 20.300 5.278 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.512 18.888 4.241 1.00 0.56 H new ATOM 0 HG LEU A 59 -3.176 21.386 3.787 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -1.668 21.738 1.866 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -0.781 21.738 3.409 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -0.726 20.309 2.351 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -3.700 20.381 1.592 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -2.827 18.904 2.066 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -4.304 19.382 2.935 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.306 18.264 7.425 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.900 17.273 8.390 1.00 0.36 C ATOM 1151 C GLY A 60 -3.089 16.504 8.918 1.00 0.35 C ATOM 1152 O GLY A 60 -3.000 15.307 9.172 1.00 0.36 O ATOM 0 H GLY A 60 -2.176 19.229 7.729 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.192 16.583 7.931 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.381 17.758 9.217 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.208 17.202 9.082 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.457 16.566 9.475 1.00 0.42 C ATOM 1158 C ALA A 61 -5.883 15.544 8.429 1.00 0.44 C ATOM 1159 O ALA A 61 -6.352 14.457 8.769 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.544 17.610 9.676 1.00 0.45 C ATOM 0 H ALA A 61 -4.274 18.211 8.948 1.00 0.37 H new ATOM 0 HA ALA A 61 -5.300 16.047 10.421 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.471 17.118 9.969 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -6.240 18.306 10.457 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.701 18.155 8.745 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.722 15.902 7.157 1.00 0.45 N ATOM 1167 CA LYS A 62 -5.977 14.980 6.054 1.00 0.50 C ATOM 1168 C LYS A 62 -5.246 13.672 6.280 1.00 0.54 C ATOM 1169 O LYS A 62 -5.860 12.619 6.458 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.493 15.566 4.728 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.346 16.686 4.180 1.00 0.90 C ATOM 1172 CD LYS A 62 -7.687 16.170 3.680 1.00 1.25 C ATOM 1173 CE LYS A 62 -8.555 17.292 3.135 1.00 1.51 C ATOM 1174 NZ LYS A 62 -8.902 18.287 4.184 1.00 2.17 N ATOM 0 H LYS A 62 -5.414 16.829 6.864 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.053 14.812 6.013 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -4.476 15.934 4.860 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -5.449 14.767 3.988 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -6.509 17.434 4.956 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -5.818 17.182 3.365 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -7.523 15.426 2.900 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -8.210 15.668 4.494 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -8.032 17.792 2.320 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -9.470 16.872 2.717 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -9.928 18.457 4.176 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -8.619 17.922 5.116 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -8.402 19.179 3.995 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.927 13.764 6.300 1.00 0.45 N ATOM 1189 CA VAL A 63 -3.075 12.594 6.353 1.00 0.48 C ATOM 1190 C VAL A 63 -3.204 11.860 7.686 1.00 0.46 C ATOM 1191 O VAL A 63 -3.021 10.647 7.748 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.607 12.988 6.095 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -1.525 13.836 4.838 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -1.010 13.731 7.278 1.00 1.12 C ATOM 0 H VAL A 63 -3.421 14.649 6.280 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.402 11.911 5.569 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.025 12.076 5.959 1.00 0.48 H new ATOM 0 HG11 VAL A 63 -0.487 14.115 4.655 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.903 13.266 3.989 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -2.126 14.736 4.967 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.025 13.992 7.059 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -1.582 14.640 7.463 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -1.044 13.095 8.162 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.547 12.595 8.737 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.697 12.015 10.066 1.00 0.42 C ATOM 1200 C GLU A 64 -4.873 11.041 10.114 1.00 0.50 C ATOM 1201 O GLU A 64 -4.753 9.935 10.633 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.877 13.115 11.110 1.00 0.42 C ATOM 1203 CG GLU A 64 -3.965 12.603 12.538 1.00 0.53 C ATOM 1204 CD GLU A 64 -2.738 11.825 12.969 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -2.707 10.592 12.783 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -1.807 12.444 13.518 1.00 1.70 O ATOM 0 H GLU A 64 -3.727 13.598 8.694 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.788 11.458 10.294 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -3.043 13.812 11.036 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.783 13.676 10.879 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -4.107 13.448 13.212 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -4.844 11.966 12.635 1.00 0.53 H new ATOM 1213 N LYS A 65 -6.007 11.439 9.558 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.170 10.560 9.547 1.00 0.69 C ATOM 1215 C LYS A 65 -6.986 9.487 8.477 1.00 0.71 C ATOM 1216 O LYS A 65 -7.375 8.332 8.645 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.464 11.350 9.291 1.00 0.84 C ATOM 1218 CG LYS A 65 -8.982 12.149 10.489 1.00 1.92 C ATOM 1219 CD LYS A 65 -8.003 13.222 10.943 1.00 2.40 C ATOM 1220 CE LYS A 65 -8.634 14.195 11.926 1.00 3.23 C ATOM 1221 NZ LYS A 65 -9.760 14.957 11.318 1.00 3.96 N ATOM 0 H LYS A 65 -6.148 12.347 9.116 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.257 10.089 10.526 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -8.295 12.037 8.461 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -9.241 10.653 8.975 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -9.931 12.616 10.227 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -9.179 11.468 11.317 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -7.138 12.749 11.407 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -7.639 13.770 10.074 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -8.996 13.647 12.796 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -7.876 14.892 12.282 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -9.937 15.818 11.874 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -9.514 15.220 10.342 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -10.616 14.366 11.312 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.345 9.896 7.389 1.00 0.72 N ATOM 1236 CA LEU A 66 -6.148 9.060 6.210 1.00 0.80 C ATOM 1237 C LEU A 66 -5.207 7.883 6.490 1.00 0.76 C ATOM 1238 O LEU A 66 -5.527 6.738 6.169 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.592 9.931 5.084 1.00 0.84 C ATOM 1240 CG LEU A 66 -5.344 9.242 3.749 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -6.634 9.140 2.950 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -4.283 9.999 2.974 1.00 1.37 C ATOM 0 H LEU A 66 -5.942 10.829 7.299 1.00 0.72 H new ATOM 0 HA LEU A 66 -7.108 8.633 5.920 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.284 10.756 4.918 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.652 10.367 5.423 1.00 0.84 H new ATOM 0 HG LEU A 66 -4.987 8.228 3.932 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -6.435 8.645 2.000 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -7.367 8.562 3.514 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -7.026 10.140 2.763 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -4.107 9.504 2.019 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -4.621 11.020 2.797 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -3.357 10.018 3.549 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.067 8.156 7.111 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.068 7.109 7.331 1.00 0.55 C ATOM 1256 C HIS A 67 -3.568 6.175 8.418 1.00 0.44 C ATOM 1257 O HIS A 67 -3.206 5.006 8.477 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.690 7.694 7.711 1.00 0.67 C ATOM 1259 CG HIS A 67 -1.532 8.009 9.165 1.00 0.94 C ATOM 1260 ND1 HIS A 67 -0.640 7.359 9.990 1.00 1.62 N ATOM 1261 CD2 HIS A 67 -2.172 8.899 9.941 1.00 1.85 C ATOM 1262 CE1 HIS A 67 -0.746 7.842 11.213 1.00 2.13 C ATOM 1263 NE2 HIS A 67 -1.671 8.777 11.206 1.00 2.34 N ATOM 0 H HIS A 67 -3.810 9.076 7.468 1.00 0.52 H new ATOM 0 HA HIS A 67 -2.931 6.560 6.400 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -0.915 6.985 7.419 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -1.524 8.604 7.134 1.00 0.67 H new ATOM 0 HD2 HIS A 67 -2.942 9.586 9.623 1.00 1.85 H new ATOM 0 HE1 HIS A 67 -0.173 7.525 12.071 1.00 2.13 H new ATOM 0 HE2 HIS A 67 -1.967 9.323 12.015 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.418 6.724 9.270 1.00 0.39 N ATOM 1273 CA ALA A 68 -4.987 6.001 10.385 1.00 0.36 C ATOM 1274 C ALA A 68 -5.897 4.878 9.907 1.00 0.34 C ATOM 1275 O ALA A 68 -5.959 3.818 10.527 1.00 0.37 O ATOM 1276 CB ALA A 68 -5.745 6.976 11.257 1.00 0.40 C ATOM 0 H ALA A 68 -4.732 7.692 9.203 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.186 5.539 10.962 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.180 6.445 12.103 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.063 7.744 11.622 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.539 7.444 10.675 1.00 0.40 H new ATOM 1282 N MET A 69 -6.604 5.110 8.806 1.00 0.33 N ATOM 1283 CA MET A 69 -7.431 4.069 8.200 1.00 0.37 C ATOM 1284 C MET A 69 -6.541 2.921 7.757 1.00 0.37 C ATOM 1285 O MET A 69 -6.794 1.758 8.068 1.00 0.42 O ATOM 1286 CB MET A 69 -8.190 4.603 6.988 1.00 0.46 C ATOM 1287 CG MET A 69 -9.038 5.831 7.268 1.00 0.44 C ATOM 1288 SD MET A 69 -9.942 6.379 5.807 1.00 0.72 S ATOM 1289 CE MET A 69 -8.618 6.470 4.600 1.00 0.55 C ATOM 0 H MET A 69 -6.622 6.004 8.316 1.00 0.33 H new ATOM 0 HA MET A 69 -8.155 3.730 8.941 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.473 4.843 6.203 1.00 0.46 H new ATOM 0 HB3 MET A 69 -8.834 3.813 6.601 1.00 0.46 H new ATOM 0 HG2 MET A 69 -9.744 5.609 8.068 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.399 6.639 7.622 1.00 0.44 H new ATOM 0 HE1 MET A 69 -8.915 7.127 3.783 1.00 0.55 H new ATOM 0 HE2 MET A 69 -7.720 6.865 5.074 1.00 0.55 H new ATOM 0 HE3 MET A 69 -8.413 5.473 4.209 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.490 3.282 7.031 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.481 2.344 6.587 1.00 0.39 C ATOM 1301 C VAL A 70 -3.918 1.570 7.777 1.00 0.38 C ATOM 1302 O VAL A 70 -3.852 0.340 7.762 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.344 3.111 5.880 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.256 2.167 5.406 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -3.897 3.925 4.717 1.00 0.70 C ATOM 0 H VAL A 70 -5.318 4.243 6.735 1.00 0.36 H new ATOM 0 HA VAL A 70 -4.933 1.637 5.892 1.00 0.39 H new ATOM 0 HB VAL A 70 -2.897 3.795 6.602 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.469 2.737 4.912 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -1.837 1.636 6.261 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -2.678 1.448 4.704 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.083 4.460 4.228 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -4.374 3.257 4.000 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -4.630 4.641 5.090 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.552 2.308 8.816 1.00 0.40 N ATOM 1310 CA LYS A 71 -2.974 1.726 10.016 1.00 0.43 C ATOM 1311 C LYS A 71 -3.942 0.800 10.735 1.00 0.44 C ATOM 1312 O LYS A 71 -3.548 -0.264 11.185 1.00 0.45 O ATOM 1313 CB LYS A 71 -2.511 2.822 10.974 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.254 3.548 10.519 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.104 2.581 10.272 1.00 1.30 C ATOM 1316 CE LYS A 71 0.121 1.656 11.458 1.00 0.75 C ATOM 1317 NZ LYS A 71 1.346 0.834 11.289 1.00 1.47 N ATOM 0 H LYS A 71 -3.647 3.323 8.850 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.119 1.131 9.695 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -3.315 3.548 11.095 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -2.329 2.381 11.954 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -1.465 4.104 9.605 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -0.961 4.277 11.275 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.313 1.987 9.382 1.00 1.30 H new ATOM 0 HD3 LYS A 71 0.808 3.144 10.072 1.00 1.30 H new ATOM 0 HE2 LYS A 71 0.202 2.247 12.370 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -0.743 1.002 11.578 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 1.352 0.070 11.995 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.359 0.423 10.334 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 2.186 1.432 11.420 1.00 1.47 H new ATOM 1331 N SER A 72 -5.197 1.206 10.855 1.00 0.45 N ATOM 1332 CA SER A 72 -6.193 0.401 11.557 1.00 0.49 C ATOM 1333 C SER A 72 -6.450 -0.919 10.833 1.00 0.45 C ATOM 1334 O SER A 72 -6.764 -1.932 11.459 1.00 0.49 O ATOM 1335 CB SER A 72 -7.490 1.192 11.715 1.00 0.56 C ATOM 1336 OG SER A 72 -7.255 2.405 12.418 1.00 1.26 O ATOM 0 H SER A 72 -5.552 2.085 10.478 1.00 0.45 H new ATOM 0 HA SER A 72 -5.803 0.163 12.547 1.00 0.49 H new ATOM 0 HB2 SER A 72 -7.911 1.410 10.733 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.225 0.592 12.251 1.00 0.56 H new ATOM 0 HG SER A 72 -6.775 3.032 11.837 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.306 -0.907 9.517 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.448 -2.123 8.730 1.00 0.38 C ATOM 1344 C LYS A 73 -5.185 -2.978 8.845 1.00 0.33 C ATOM 1345 O LYS A 73 -5.259 -4.200 8.902 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.768 -1.787 7.270 1.00 0.44 C ATOM 1347 CG LYS A 73 -8.063 -0.999 7.113 1.00 0.62 C ATOM 1348 CD LYS A 73 -8.508 -0.902 5.661 1.00 0.78 C ATOM 1349 CE LYS A 73 -7.525 -0.119 4.806 1.00 0.88 C ATOM 1350 NZ LYS A 73 -7.949 -0.083 3.381 1.00 1.54 N ATOM 0 H LYS A 73 -6.092 -0.072 8.972 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.283 -2.702 9.124 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.945 -1.212 6.846 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -6.839 -2.711 6.697 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -8.848 -1.475 7.700 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -7.926 0.004 7.517 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -8.623 -1.905 5.251 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -9.487 -0.424 5.615 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -7.440 0.899 5.187 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -6.536 -0.571 4.881 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -7.426 0.665 2.882 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -7.749 -1.001 2.936 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -8.969 0.113 3.327 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.029 -2.330 8.911 1.00 0.28 N ATOM 1365 CA ILE A 74 -2.771 -3.032 9.151 1.00 0.28 C ATOM 1366 C ILE A 74 -2.700 -3.515 10.603 1.00 0.28 C ATOM 1367 O ILE A 74 -2.032 -4.500 10.922 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.567 -2.128 8.800 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.595 -1.844 7.299 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.246 -2.777 9.200 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.511 -0.917 6.807 1.00 0.32 C ATOM 0 H ILE A 74 -3.935 -1.320 8.802 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.729 -3.907 8.502 1.00 0.28 H new ATOM 0 HB ILE A 74 -1.645 -1.195 9.358 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.514 -2.790 6.764 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.564 -1.415 7.043 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.579 -2.114 8.939 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.240 -2.957 10.275 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.131 -3.724 8.673 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.613 -0.776 5.731 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.600 0.046 7.309 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.465 -1.350 7.025 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.435 -2.833 11.468 1.00 0.31 N ATOM 1379 CA ALA A 75 -3.579 -3.237 12.859 1.00 0.32 C ATOM 1380 C ALA A 75 -4.375 -4.530 12.940 1.00 0.32 C ATOM 1381 O ALA A 75 -4.185 -5.354 13.835 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.297 -2.155 13.647 1.00 0.34 C ATOM 0 H ALA A 75 -3.948 -1.985 11.226 1.00 0.31 H new ATOM 0 HA ALA A 75 -2.587 -3.391 13.283 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.399 -2.468 14.686 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -3.722 -1.230 13.602 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.286 -1.989 13.219 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.274 -4.684 11.980 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.148 -5.839 11.888 1.00 0.32 C ATOM 1390 C ALA A 76 -5.529 -6.914 11.003 1.00 0.34 C ATOM 1391 O ALA A 76 -6.104 -7.988 10.805 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.493 -5.402 11.327 1.00 0.35 C ATOM 0 H ALA A 76 -5.417 -4.002 11.235 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.288 -6.263 12.883 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.155 -6.265 11.255 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -7.938 -4.657 11.987 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.351 -4.970 10.336 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.354 -6.621 10.478 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.663 -7.529 9.583 1.00 0.31 C ATOM 1400 C LEU A 77 -2.678 -8.380 10.367 1.00 0.32 C ATOM 1401 O LEU A 77 -1.964 -7.873 11.233 1.00 0.33 O ATOM 1402 CB LEU A 77 -2.943 -6.709 8.511 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.482 -7.470 7.271 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.586 -8.383 6.767 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.097 -6.478 6.193 1.00 0.58 C ATOM 0 H LEU A 77 -3.854 -5.751 10.659 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.377 -8.198 9.103 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.607 -5.906 8.192 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.072 -6.240 8.968 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.620 -8.085 7.528 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.240 -8.918 5.882 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -3.849 -9.100 7.545 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.462 -7.787 6.511 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.767 -7.016 5.305 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -2.959 -5.859 5.943 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.288 -5.844 6.555 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.660 -9.678 10.077 1.00 0.36 N ATOM 1418 CA GLY A 78 -1.765 -10.580 10.774 1.00 0.42 C ATOM 1419 C GLY A 78 -0.311 -10.260 10.497 1.00 0.46 C ATOM 1420 O GLY A 78 0.014 -9.861 9.385 1.00 0.76 O ATOM 0 H GLY A 78 -3.250 -10.120 9.372 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -1.952 -10.520 11.846 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -1.975 -11.606 10.471 1.00 0.42 H new ATOM 1424 N PRO A 79 0.573 -10.431 11.502 1.00 0.66 N ATOM 1425 CA PRO A 79 2.008 -10.101 11.433 1.00 0.86 C ATOM 1426 C PRO A 79 2.661 -10.308 10.059 1.00 0.60 C ATOM 1427 O PRO A 79 3.427 -9.458 9.601 1.00 0.64 O ATOM 1428 CB PRO A 79 2.604 -11.074 12.444 1.00 1.32 C ATOM 1429 CG PRO A 79 1.555 -11.221 13.495 1.00 1.56 C ATOM 1430 CD PRO A 79 0.223 -10.964 12.832 1.00 1.10 C ATOM 0 HA PRO A 79 2.175 -9.042 11.629 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.837 -12.033 11.981 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.533 -10.689 12.864 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.583 -12.220 13.930 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.723 -10.515 14.308 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.364 -11.879 12.752 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.374 -10.251 13.401 1.00 1.10 H new ATOM 1438 N GLU A 80 2.347 -11.421 9.407 1.00 0.51 N ATOM 1439 CA GLU A 80 2.934 -11.755 8.115 1.00 0.49 C ATOM 1440 C GLU A 80 2.514 -10.745 7.060 1.00 0.42 C ATOM 1441 O GLU A 80 3.355 -10.151 6.380 1.00 0.49 O ATOM 1442 CB GLU A 80 2.503 -13.159 7.691 1.00 0.70 C ATOM 1443 CG GLU A 80 3.009 -13.569 6.316 1.00 1.25 C ATOM 1444 CD GLU A 80 2.628 -14.989 5.959 1.00 1.79 C ATOM 1445 OE1 GLU A 80 1.430 -15.329 6.050 1.00 2.52 O ATOM 1446 OE2 GLU A 80 3.528 -15.780 5.604 1.00 2.19 O ATOM 0 H GLU A 80 1.683 -12.113 9.756 1.00 0.51 H new ATOM 0 HA GLU A 80 4.019 -11.727 8.211 1.00 0.49 H new ATOM 0 HB2 GLU A 80 2.862 -13.877 8.429 1.00 0.70 H new ATOM 0 HB3 GLU A 80 1.414 -13.212 7.698 1.00 0.70 H new ATOM 0 HG2 GLU A 80 2.606 -12.888 5.566 1.00 1.25 H new ATOM 0 HG3 GLU A 80 4.094 -13.469 6.287 1.00 1.25 H new ATOM 1453 N ALA A 81 1.213 -10.532 6.943 1.00 0.36 N ATOM 1454 CA ALA A 81 0.699 -9.620 5.936 1.00 0.34 C ATOM 1455 C ALA A 81 0.895 -8.182 6.390 1.00 0.31 C ATOM 1456 O ALA A 81 1.102 -7.279 5.584 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.758 -9.918 5.629 1.00 0.36 C ATOM 0 H ALA A 81 0.501 -10.973 7.526 1.00 0.36 H new ATOM 0 HA ALA A 81 1.258 -9.762 5.011 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.120 -9.222 4.872 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -0.850 -10.938 5.257 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.351 -9.808 6.537 1.00 0.36 H new ATOM 1463 N LYS A 82 0.836 -8.001 7.700 1.00 0.31 N ATOM 1464 CA LYS A 82 1.073 -6.718 8.344 1.00 0.33 C ATOM 1465 C LYS A 82 2.458 -6.177 7.999 1.00 0.33 C ATOM 1466 O LYS A 82 2.602 -5.004 7.648 1.00 0.32 O ATOM 1467 CB LYS A 82 0.926 -6.896 9.856 1.00 0.41 C ATOM 1468 CG LYS A 82 1.308 -5.684 10.679 1.00 0.60 C ATOM 1469 CD LYS A 82 1.052 -5.934 12.154 1.00 0.86 C ATOM 1470 CE LYS A 82 1.636 -4.827 13.005 1.00 1.33 C ATOM 1471 NZ LYS A 82 1.387 -5.046 14.453 1.00 2.04 N ATOM 0 H LYS A 82 0.619 -8.752 8.355 1.00 0.31 H new ATOM 0 HA LYS A 82 0.343 -5.993 7.984 1.00 0.33 H new ATOM 0 HB2 LYS A 82 -0.109 -7.157 10.078 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.541 -7.739 10.170 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.361 -5.449 10.522 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.735 -4.818 10.347 1.00 0.60 H new ATOM 0 HD2 LYS A 82 -0.021 -6.006 12.333 1.00 0.86 H new ATOM 0 HD3 LYS A 82 1.489 -6.889 12.445 1.00 0.86 H new ATOM 0 HE2 LYS A 82 2.710 -4.762 12.828 1.00 1.33 H new ATOM 0 HE3 LYS A 82 1.205 -3.872 12.704 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 1.804 -4.265 14.999 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 0.362 -5.082 14.627 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 1.821 -5.944 14.748 1.00 2.04 H new ATOM 1485 N GLY A 83 3.467 -7.035 8.087 1.00 0.37 N ATOM 1486 CA GLY A 83 4.816 -6.629 7.738 1.00 0.41 C ATOM 1487 C GLY A 83 4.915 -6.219 6.287 1.00 0.39 C ATOM 1488 O GLY A 83 5.576 -5.233 5.949 1.00 0.41 O ATOM 0 H GLY A 83 3.376 -8.004 8.393 1.00 0.37 H new ATOM 0 HA2 GLY A 83 5.122 -5.798 8.373 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.506 -7.450 7.933 1.00 0.41 H new ATOM 1492 N PHE A 84 4.232 -6.968 5.432 1.00 0.37 N ATOM 1493 CA PHE A 84 4.178 -6.670 4.010 1.00 0.37 C ATOM 1494 C PHE A 84 3.457 -5.347 3.760 1.00 0.34 C ATOM 1495 O PHE A 84 3.934 -4.512 2.995 1.00 0.37 O ATOM 1496 CB PHE A 84 3.478 -7.807 3.261 1.00 0.39 C ATOM 1497 CG PHE A 84 3.013 -7.430 1.884 1.00 0.74 C ATOM 1498 CD1 PHE A 84 3.923 -7.105 0.895 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.661 -7.400 1.583 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.494 -6.756 -0.368 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.228 -7.051 0.321 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.145 -6.728 -0.656 1.00 1.59 C ATOM 0 H PHE A 84 3.702 -7.796 5.705 1.00 0.37 H new ATOM 0 HA PHE A 84 5.198 -6.577 3.638 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.160 -8.654 3.185 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.620 -8.141 3.845 1.00 0.39 H new ATOM 0 HD1 PHE A 84 4.980 -7.125 1.114 1.00 0.71 H new ATOM 0 HD2 PHE A 84 0.938 -7.653 2.345 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.214 -6.504 -1.132 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.171 -7.031 0.098 1.00 1.65 H new ATOM 0 HZ PHE A 84 1.808 -6.454 -1.645 1.00 1.59 H new ATOM 1512 N ALA A 85 2.313 -5.169 4.409 1.00 0.30 N ATOM 1513 CA ALA A 85 1.513 -3.959 4.259 1.00 0.30 C ATOM 1514 C ALA A 85 2.320 -2.717 4.617 1.00 0.32 C ATOM 1515 O ALA A 85 2.315 -1.726 3.889 1.00 0.41 O ATOM 1516 CB ALA A 85 0.272 -4.046 5.129 1.00 0.28 C ATOM 0 H ALA A 85 1.915 -5.855 5.051 1.00 0.30 H new ATOM 0 HA ALA A 85 1.214 -3.876 3.214 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.320 -3.138 5.011 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.323 -4.909 4.829 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.566 -4.154 6.173 1.00 0.28 H new ATOM 1522 N GLU A 86 3.027 -2.791 5.736 1.00 0.31 N ATOM 1523 CA GLU A 86 3.854 -1.682 6.194 1.00 0.37 C ATOM 1524 C GLU A 86 4.927 -1.331 5.169 1.00 0.44 C ATOM 1525 O GLU A 86 5.232 -0.158 4.956 1.00 0.70 O ATOM 1526 CB GLU A 86 4.503 -2.024 7.532 1.00 0.43 C ATOM 1527 CG GLU A 86 3.557 -1.907 8.714 1.00 0.55 C ATOM 1528 CD GLU A 86 3.269 -0.465 9.084 1.00 0.95 C ATOM 1529 OE1 GLU A 86 4.175 0.206 9.623 1.00 1.11 O ATOM 1530 OE2 GLU A 86 2.139 0.007 8.843 1.00 1.96 O ATOM 0 H GLU A 86 3.045 -3.609 6.345 1.00 0.31 H new ATOM 0 HA GLU A 86 3.208 -0.813 6.320 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.892 -3.041 7.488 1.00 0.43 H new ATOM 0 HB3 GLU A 86 5.355 -1.363 7.692 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.621 -2.412 8.478 1.00 0.55 H new ATOM 0 HG3 GLU A 86 3.988 -2.420 9.573 1.00 0.55 H new ATOM 1537 N LYS A 87 5.497 -2.345 4.532 1.00 0.41 N ATOM 1538 CA LYS A 87 6.548 -2.122 3.554 1.00 0.49 C ATOM 1539 C LYS A 87 5.958 -1.642 2.229 1.00 0.49 C ATOM 1540 O LYS A 87 6.437 -0.672 1.651 1.00 0.57 O ATOM 1541 CB LYS A 87 7.364 -3.402 3.344 1.00 0.57 C ATOM 1542 CG LYS A 87 8.856 -3.153 3.161 1.00 0.69 C ATOM 1543 CD LYS A 87 9.150 -2.323 1.924 1.00 1.25 C ATOM 1544 CE LYS A 87 10.586 -1.822 1.892 1.00 1.75 C ATOM 1545 NZ LYS A 87 11.578 -2.932 1.878 1.00 2.12 N ATOM 0 H LYS A 87 5.250 -3.324 4.675 1.00 0.41 H new ATOM 0 HA LYS A 87 7.212 -1.346 3.935 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.217 -4.061 4.200 1.00 0.57 H new ATOM 0 HB3 LYS A 87 6.982 -3.927 2.468 1.00 0.57 H new ATOM 0 HG2 LYS A 87 9.248 -2.643 4.041 1.00 0.69 H new ATOM 0 HG3 LYS A 87 9.376 -4.108 3.088 1.00 0.69 H new ATOM 0 HD2 LYS A 87 8.956 -2.921 1.034 1.00 1.25 H new ATOM 0 HD3 LYS A 87 8.470 -1.472 1.890 1.00 1.25 H new ATOM 0 HE2 LYS A 87 10.730 -1.199 1.009 1.00 1.75 H new ATOM 0 HE3 LYS A 87 10.766 -1.189 2.761 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 12.539 -2.538 1.822 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 11.484 -3.493 2.749 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 11.405 -3.542 1.053 1.00 2.12 H new ATOM 1559 N SER A 88 4.904 -2.307 1.768 1.00 0.46 N ATOM 1560 CA SER A 88 4.294 -1.987 0.481 1.00 0.51 C ATOM 1561 C SER A 88 3.719 -0.573 0.480 1.00 0.51 C ATOM 1562 O SER A 88 3.893 0.178 -0.483 1.00 0.57 O ATOM 1563 CB SER A 88 3.209 -3.011 0.140 1.00 0.56 C ATOM 1564 OG SER A 88 2.312 -3.190 1.221 1.00 0.48 O ATOM 0 H SER A 88 4.453 -3.073 2.268 1.00 0.46 H new ATOM 0 HA SER A 88 5.070 -2.031 -0.284 1.00 0.51 H new ATOM 0 HB2 SER A 88 2.659 -2.681 -0.741 1.00 0.56 H new ATOM 0 HB3 SER A 88 3.673 -3.965 -0.112 1.00 0.56 H new ATOM 0 HG SER A 88 2.723 -3.772 1.894 1.00 0.48 H new ATOM 1570 N ILE A 89 3.048 -0.209 1.568 1.00 0.50 N ATOM 1571 CA ILE A 89 2.521 1.139 1.723 1.00 0.56 C ATOM 1572 C ILE A 89 3.661 2.159 1.725 1.00 0.55 C ATOM 1573 O ILE A 89 3.555 3.219 1.111 1.00 0.59 O ATOM 1574 CB ILE A 89 1.654 1.266 3.010 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.184 0.930 2.715 1.00 0.83 C ATOM 1576 CG2 ILE A 89 1.753 2.656 3.625 1.00 0.79 C ATOM 1577 CD1 ILE A 89 -0.056 -0.493 2.254 1.00 1.09 C ATOM 0 H ILE A 89 2.857 -0.830 2.354 1.00 0.50 H new ATOM 0 HA ILE A 89 1.872 1.348 0.873 1.00 0.56 H new ATOM 0 HB ILE A 89 2.046 0.548 3.731 1.00 0.63 H new ATOM 0 HG12 ILE A 89 -0.404 1.111 3.615 1.00 0.83 H new ATOM 0 HG13 ILE A 89 -0.185 1.613 1.950 1.00 0.83 H new ATOM 0 HG21 ILE A 89 1.133 2.703 4.521 1.00 0.79 H new ATOM 0 HG22 ILE A 89 2.790 2.864 3.890 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.407 3.398 2.905 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -1.120 -0.641 2.069 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.501 -0.677 1.335 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.278 -1.187 3.026 1.00 1.09 H new ATOM 1584 N GLU A 90 4.763 1.817 2.390 1.00 0.53 N ATOM 1585 CA GLU A 90 5.938 2.683 2.424 1.00 0.60 C ATOM 1586 C GLU A 90 6.583 2.801 1.047 1.00 0.56 C ATOM 1587 O GLU A 90 7.090 3.860 0.683 1.00 0.63 O ATOM 1588 CB GLU A 90 6.953 2.172 3.447 1.00 0.69 C ATOM 1589 CG GLU A 90 6.876 2.891 4.783 1.00 1.28 C ATOM 1590 CD GLU A 90 7.417 4.303 4.707 1.00 2.08 C ATOM 1591 OE1 GLU A 90 6.780 5.163 4.063 1.00 2.41 O ATOM 1592 OE2 GLU A 90 8.495 4.560 5.280 1.00 2.82 O ATOM 0 H GLU A 90 4.866 0.947 2.912 1.00 0.53 H new ATOM 0 HA GLU A 90 5.608 3.677 2.725 1.00 0.60 H new ATOM 0 HB2 GLU A 90 6.792 1.106 3.607 1.00 0.69 H new ATOM 0 HB3 GLU A 90 7.957 2.285 3.039 1.00 0.69 H new ATOM 0 HG2 GLU A 90 5.839 2.919 5.119 1.00 1.28 H new ATOM 0 HG3 GLU A 90 7.438 2.329 5.529 1.00 1.28 H new ATOM 1599 N ILE A 91 6.559 1.719 0.283 1.00 0.47 N ATOM 1600 CA ILE A 91 7.089 1.736 -1.072 1.00 0.46 C ATOM 1601 C ILE A 91 6.283 2.691 -1.950 1.00 0.47 C ATOM 1602 O ILE A 91 6.851 3.507 -2.680 1.00 0.51 O ATOM 1603 CB ILE A 91 7.098 0.325 -1.697 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.109 -0.565 -0.967 1.00 0.43 C ATOM 1605 CG2 ILE A 91 7.427 0.402 -3.179 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.070 -2.023 -1.384 1.00 0.45 C ATOM 0 H ILE A 91 6.179 0.820 0.578 1.00 0.47 H new ATOM 0 HA ILE A 91 8.120 2.086 -1.015 1.00 0.46 H new ATOM 0 HB ILE A 91 6.106 -0.113 -1.590 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.112 -0.175 -1.142 1.00 0.43 H new ATOM 0 HG13 ILE A 91 7.925 -0.501 0.105 1.00 0.43 H new ATOM 0 HG21 ILE A 91 7.429 -0.602 -3.604 1.00 0.49 H new ATOM 0 HG22 ILE A 91 6.678 1.009 -3.687 1.00 0.49 H new ATOM 0 HG23 ILE A 91 8.410 0.854 -3.310 1.00 0.49 H new ATOM 0 HD11 ILE A 91 8.816 -2.583 -0.820 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.080 -2.433 -1.183 1.00 0.45 H new ATOM 0 HD13 ILE A 91 8.286 -2.103 -2.449 1.00 0.45 H new ATOM 1613 N ALA A 92 4.959 2.609 -1.857 1.00 0.47 N ATOM 1614 CA ALA A 92 4.097 3.502 -2.610 1.00 0.53 C ATOM 1615 C ALA A 92 4.297 4.931 -2.132 1.00 0.60 C ATOM 1616 O ALA A 92 4.391 5.857 -2.938 1.00 0.64 O ATOM 1617 CB ALA A 92 2.638 3.089 -2.477 1.00 0.56 C ATOM 0 H ALA A 92 4.466 1.936 -1.270 1.00 0.47 H new ATOM 0 HA ALA A 92 4.364 3.441 -3.665 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.012 3.773 -3.050 1.00 0.56 H new ATOM 0 HB2 ALA A 92 2.511 2.076 -2.858 1.00 0.56 H new ATOM 0 HB3 ALA A 92 2.345 3.122 -1.428 1.00 0.56 H new ATOM 1623 N ARG A 93 4.387 5.088 -0.814 1.00 0.66 N ATOM 1624 CA ARG A 93 4.640 6.386 -0.199 1.00 0.77 C ATOM 1625 C ARG A 93 5.960 6.975 -0.676 1.00 0.68 C ATOM 1626 O ARG A 93 6.077 8.184 -0.822 1.00 0.68 O ATOM 1627 CB ARG A 93 4.640 6.270 1.328 1.00 0.99 C ATOM 1628 CG ARG A 93 3.246 6.204 1.936 1.00 1.55 C ATOM 1629 CD ARG A 93 3.286 5.781 3.398 1.00 1.83 C ATOM 1630 NE ARG A 93 4.147 6.638 4.210 1.00 2.71 N ATOM 1631 CZ ARG A 93 4.248 6.550 5.537 1.00 3.44 C ATOM 1632 NH1 ARG A 93 3.516 5.671 6.212 1.00 3.55 N ATOM 1633 NH2 ARG A 93 5.092 7.336 6.188 1.00 4.42 N ATOM 0 H ARG A 93 4.287 4.323 -0.146 1.00 0.66 H new ATOM 0 HA ARG A 93 3.836 7.057 -0.503 1.00 0.77 H new ATOM 0 HB2 ARG A 93 5.195 5.377 1.616 1.00 0.99 H new ATOM 0 HB3 ARG A 93 5.170 7.124 1.749 1.00 0.99 H new ATOM 0 HG2 ARG A 93 2.767 7.179 1.853 1.00 1.55 H new ATOM 0 HG3 ARG A 93 2.636 5.500 1.370 1.00 1.55 H new ATOM 0 HD2 ARG A 93 2.275 5.799 3.805 1.00 1.83 H new ATOM 0 HD3 ARG A 93 3.638 4.752 3.465 1.00 1.83 H new ATOM 0 HE ARG A 93 4.705 7.347 3.733 1.00 2.71 H new ATOM 0 HH11 ARG A 93 2.871 5.057 5.716 1.00 3.55 H new ATOM 0 HH12 ARG A 93 3.599 5.610 7.227 1.00 3.55 H new ATOM 0 HH21 ARG A 93 5.663 8.007 5.675 1.00 4.42 H new ATOM 0 HH22 ARG A 93 5.171 7.270 7.203 1.00 4.42 H new ATOM 1647 N GLY A 94 6.944 6.115 -0.926 1.00 0.66 N ATOM 1648 CA GLY A 94 8.236 6.576 -1.401 1.00 0.65 C ATOM 1649 C GLY A 94 8.167 7.126 -2.812 1.00 0.56 C ATOM 1650 O GLY A 94 8.805 8.135 -3.128 1.00 0.56 O ATOM 0 H GLY A 94 6.868 5.105 -0.807 1.00 0.66 H new ATOM 0 HA2 GLY A 94 8.613 7.348 -0.730 1.00 0.65 H new ATOM 0 HA3 GLY A 94 8.948 5.751 -1.369 1.00 0.65 H new ATOM 1654 N ILE A 95 7.386 6.471 -3.661 1.00 0.52 N ATOM 1655 CA ILE A 95 7.185 6.942 -5.023 1.00 0.48 C ATOM 1656 C ILE A 95 6.432 8.262 -5.002 1.00 0.47 C ATOM 1657 O ILE A 95 6.859 9.250 -5.604 1.00 0.49 O ATOM 1658 CB ILE A 95 6.417 5.904 -5.872 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.278 4.656 -6.087 1.00 0.53 C ATOM 1660 CG2 ILE A 95 5.995 6.502 -7.209 1.00 0.52 C ATOM 1661 CD1 ILE A 95 8.610 4.948 -6.754 1.00 0.55 C ATOM 0 H ILE A 95 6.883 5.614 -3.430 1.00 0.52 H new ATOM 0 HA ILE A 95 8.163 7.087 -5.482 1.00 0.48 H new ATOM 0 HB ILE A 95 5.515 5.617 -5.332 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.460 4.179 -5.124 1.00 0.53 H new ATOM 0 HG13 ILE A 95 6.724 3.942 -6.697 1.00 0.53 H new ATOM 0 HG21 ILE A 95 5.456 5.753 -7.789 1.00 0.52 H new ATOM 0 HG22 ILE A 95 5.347 7.361 -7.035 1.00 0.52 H new ATOM 0 HG23 ILE A 95 6.880 6.821 -7.761 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.168 4.019 -6.875 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.437 5.397 -7.732 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.184 5.637 -6.135 1.00 0.55 H new ATOM 1668 N LYS A 96 5.334 8.287 -4.262 1.00 0.50 N ATOM 1669 CA LYS A 96 4.567 9.508 -4.067 1.00 0.54 C ATOM 1670 C LYS A 96 5.173 10.334 -2.932 1.00 0.57 C ATOM 1671 O LYS A 96 4.467 10.939 -2.127 1.00 0.83 O ATOM 1672 CB LYS A 96 3.093 9.184 -3.795 1.00 0.64 C ATOM 1673 CG LYS A 96 2.869 8.357 -2.538 1.00 1.47 C ATOM 1674 CD LYS A 96 1.407 7.992 -2.346 1.00 1.78 C ATOM 1675 CE LYS A 96 0.528 9.232 -2.301 1.00 1.90 C ATOM 1676 NZ LYS A 96 1.000 10.210 -1.280 1.00 2.70 N ATOM 0 H LYS A 96 4.952 7.471 -3.784 1.00 0.50 H new ATOM 0 HA LYS A 96 4.611 10.101 -4.980 1.00 0.54 H new ATOM 0 HB2 LYS A 96 2.535 10.117 -3.709 1.00 0.64 H new ATOM 0 HB3 LYS A 96 2.685 8.646 -4.651 1.00 0.64 H new ATOM 0 HG2 LYS A 96 3.465 7.446 -2.593 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.220 8.915 -1.670 1.00 1.47 H new ATOM 0 HD2 LYS A 96 1.082 7.343 -3.159 1.00 1.78 H new ATOM 0 HD3 LYS A 96 1.290 7.427 -1.421 1.00 1.78 H new ATOM 0 HE2 LYS A 96 0.519 9.707 -3.282 1.00 1.90 H new ATOM 0 HE3 LYS A 96 -0.499 8.942 -2.078 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 0.509 11.117 -1.415 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 0.796 9.844 -0.328 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 2.025 10.352 -1.383 1.00 2.70 H new ATOM 1690 N ALA A 97 6.494 10.294 -2.856 1.00 0.50 N ATOM 1691 CA ALA A 97 7.267 11.233 -2.057 1.00 0.53 C ATOM 1692 C ALA A 97 8.260 11.968 -2.942 1.00 0.46 C ATOM 1693 O ALA A 97 8.560 13.142 -2.718 1.00 0.48 O ATOM 1694 CB ALA A 97 7.998 10.513 -0.935 1.00 0.63 C ATOM 0 H ALA A 97 7.063 9.606 -3.349 1.00 0.50 H new ATOM 0 HA ALA A 97 6.582 11.954 -1.610 1.00 0.53 H new ATOM 0 HB1 ALA A 97 8.569 11.235 -0.351 1.00 0.63 H new ATOM 0 HB2 ALA A 97 7.274 10.016 -0.290 1.00 0.63 H new ATOM 0 HB3 ALA A 97 8.676 9.772 -1.359 1.00 0.63 H new ATOM 1700 N ARG A 98 8.754 11.280 -3.962 1.00 0.41 N ATOM 1701 CA ARG A 98 9.690 11.886 -4.897 1.00 0.44 C ATOM 1702 C ARG A 98 8.937 12.575 -6.027 1.00 0.44 C ATOM 1703 O ARG A 98 9.547 13.199 -6.886 1.00 0.53 O ATOM 1704 CB ARG A 98 10.668 10.847 -5.453 1.00 0.51 C ATOM 1705 CG ARG A 98 11.432 10.086 -4.383 1.00 1.02 C ATOM 1706 CD ARG A 98 12.104 8.848 -4.958 1.00 0.81 C ATOM 1707 NE ARG A 98 13.106 9.176 -5.974 1.00 1.51 N ATOM 1708 CZ ARG A 98 13.534 8.318 -6.901 1.00 1.94 C ATOM 1709 NH1 ARG A 98 13.053 7.078 -6.940 1.00 1.37 N ATOM 1710 NH2 ARG A 98 14.451 8.700 -7.781 1.00 3.10 N ATOM 0 H ARG A 98 8.523 10.307 -4.162 1.00 0.41 H new ATOM 0 HA ARG A 98 10.271 12.634 -4.358 1.00 0.44 H new ATOM 0 HB2 ARG A 98 10.116 10.135 -6.067 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.381 11.348 -6.108 1.00 0.51 H new ATOM 0 HG2 ARG A 98 12.184 10.737 -3.938 1.00 1.02 H new ATOM 0 HG3 ARG A 98 10.750 9.794 -3.584 1.00 1.02 H new ATOM 0 HD2 ARG A 98 12.578 8.288 -4.152 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.347 8.197 -5.396 1.00 0.81 H new ATOM 0 HE ARG A 98 13.500 10.117 -5.973 1.00 1.51 H new ATOM 0 HH11 ARG A 98 12.354 6.780 -6.259 1.00 1.37 H new ATOM 0 HH12 ARG A 98 13.383 6.425 -7.651 1.00 1.37 H new ATOM 0 HH21 ARG A 98 14.827 9.648 -7.747 1.00 3.10 H new ATOM 0 HH22 ARG A 98 14.780 8.046 -8.491 1.00 3.10 H new ATOM 1724 N TYR A 99 7.615 12.460 -6.027 1.00 0.44 N ATOM 1725 CA TYR A 99 6.789 13.311 -6.876 1.00 0.50 C ATOM 1726 C TYR A 99 6.447 14.601 -6.137 1.00 0.54 C ATOM 1727 O TYR A 99 6.317 15.664 -6.740 1.00 0.64 O ATOM 1728 CB TYR A 99 5.502 12.597 -7.312 1.00 0.53 C ATOM 1729 CG TYR A 99 5.698 11.624 -8.455 1.00 0.59 C ATOM 1730 CD1 TYR A 99 6.179 12.061 -9.683 1.00 0.73 C ATOM 1731 CD2 TYR A 99 5.401 10.275 -8.311 1.00 0.60 C ATOM 1732 CE1 TYR A 99 6.363 11.183 -10.733 1.00 0.85 C ATOM 1733 CE2 TYR A 99 5.581 9.390 -9.357 1.00 0.71 C ATOM 1734 CZ TYR A 99 6.065 9.849 -10.565 1.00 0.83 C ATOM 1735 OH TYR A 99 6.258 8.968 -11.607 1.00 0.97 O ATOM 0 H TYR A 99 7.096 11.794 -5.456 1.00 0.44 H new ATOM 0 HA TYR A 99 7.359 13.544 -7.775 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.088 12.061 -6.458 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.765 13.344 -7.606 1.00 0.53 H new ATOM 0 HD1 TYR A 99 6.413 13.106 -9.819 1.00 0.73 H new ATOM 0 HD2 TYR A 99 5.023 9.912 -7.367 1.00 0.60 H new ATOM 0 HE1 TYR A 99 6.738 11.540 -11.680 1.00 0.85 H new ATOM 0 HE2 TYR A 99 5.344 8.344 -9.230 1.00 0.71 H new ATOM 0 HH TYR A 99 7.216 8.891 -11.797 1.00 0.97 H new ATOM 1745 N TYR A 100 6.340 14.498 -4.814 1.00 0.51 N ATOM 1746 CA TYR A 100 5.942 15.627 -3.974 1.00 0.58 C ATOM 1747 C TYR A 100 6.990 16.728 -3.976 1.00 0.58 C ATOM 1748 O TYR A 100 6.663 17.912 -3.920 1.00 0.71 O ATOM 1749 CB TYR A 100 5.702 15.170 -2.540 1.00 0.57 C ATOM 1750 CG TYR A 100 4.343 14.562 -2.321 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.859 13.586 -3.175 1.00 0.97 C ATOM 1752 CD2 TYR A 100 3.547 14.959 -1.263 1.00 1.03 C ATOM 1753 CE1 TYR A 100 2.614 13.028 -2.986 1.00 1.16 C ATOM 1754 CE2 TYR A 100 2.303 14.406 -1.065 1.00 1.26 C ATOM 1755 CZ TYR A 100 1.845 13.438 -1.901 1.00 1.21 C ATOM 1756 OH TYR A 100 0.587 12.894 -1.744 1.00 1.48 O ATOM 0 H TYR A 100 6.525 13.638 -4.297 1.00 0.51 H new ATOM 0 HA TYR A 100 5.018 16.026 -4.393 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.465 14.441 -2.267 1.00 0.57 H new ATOM 0 HB3 TYR A 100 5.822 16.022 -1.871 1.00 0.57 H new ATOM 0 HD1 TYR A 100 4.468 13.256 -4.004 1.00 0.97 H new ATOM 0 HD2 TYR A 100 3.907 15.715 -0.581 1.00 1.03 H new ATOM 0 HE1 TYR A 100 2.239 12.282 -3.671 1.00 1.16 H new ATOM 0 HE2 TYR A 100 1.689 14.742 -0.243 1.00 1.26 H new ATOM 0 HH TYR A 100 0.122 13.351 -1.012 1.00 1.48 H new ATOM 1766 N THR A 101 8.246 16.325 -4.053 1.00 0.55 N ATOM 1767 CA THR A 101 9.363 17.247 -3.957 1.00 0.66 C ATOM 1768 C THR A 101 9.535 18.096 -5.216 1.00 0.71 C ATOM 1769 O THR A 101 10.431 18.940 -5.287 1.00 0.71 O ATOM 1770 CB THR A 101 10.658 16.467 -3.693 1.00 0.71 C ATOM 1771 OG1 THR A 101 10.721 15.323 -4.553 1.00 0.65 O ATOM 1772 CG2 THR A 101 10.725 16.025 -2.238 1.00 0.87 C ATOM 0 H THR A 101 8.520 15.351 -4.184 1.00 0.55 H new ATOM 0 HA THR A 101 9.148 17.924 -3.130 1.00 0.66 H new ATOM 0 HB THR A 101 11.507 17.119 -3.899 1.00 0.71 H new ATOM 0 HG1 THR A 101 11.550 14.830 -4.381 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.649 15.473 -2.068 1.00 0.87 H new ATOM 0 HG22 THR A 101 10.701 16.901 -1.590 1.00 0.87 H new ATOM 0 HG23 THR A 101 9.873 15.384 -2.013 1.00 0.87 H new ATOM 1780 N GLY A 102 8.673 17.878 -6.202 1.00 0.82 N ATOM 1781 CA GLY A 102 8.811 18.564 -7.469 1.00 0.95 C ATOM 1782 C GLY A 102 9.657 17.779 -8.448 1.00 0.95 C ATOM 1783 O GLY A 102 10.036 18.289 -9.505 1.00 1.16 O ATOM 0 H GLY A 102 7.881 17.238 -6.145 1.00 0.82 H new ATOM 0 HA2 GLY A 102 7.824 18.735 -7.898 1.00 0.95 H new ATOM 0 HA3 GLY A 102 9.261 19.543 -7.304 1.00 0.95 H new ATOM 1787 N ASN A 103 9.966 16.541 -8.090 1.00 0.82 N ATOM 1788 CA ASN A 103 10.748 15.662 -8.948 1.00 0.89 C ATOM 1789 C ASN A 103 9.841 14.617 -9.581 1.00 0.98 C ATOM 1790 O ASN A 103 8.644 14.575 -9.300 1.00 1.83 O ATOM 1791 CB ASN A 103 11.867 14.973 -8.157 1.00 0.90 C ATOM 1792 CG ASN A 103 12.881 15.951 -7.593 1.00 1.28 C ATOM 1793 OD1 ASN A 103 13.862 16.299 -8.252 1.00 1.76 O ATOM 1794 ND2 ASN A 103 12.661 16.392 -6.367 1.00 1.65 N ATOM 0 H ASN A 103 9.685 16.120 -7.205 1.00 0.82 H new ATOM 0 HA ASN A 103 11.206 16.267 -9.731 1.00 0.89 H new ATOM 0 HB2 ASN A 103 11.428 14.401 -7.340 1.00 0.90 H new ATOM 0 HB3 ASN A 103 12.378 14.261 -8.805 1.00 0.90 H new ATOM 0 HD21 ASN A 103 13.315 17.044 -5.934 1.00 1.65 H new ATOM 0 HD22 ASN A 103 11.837 16.080 -5.853 1.00 1.65 H new ATOM 1801 N GLU A 104 10.408 13.778 -10.434 1.00 0.56 N ATOM 1802 CA GLU A 104 9.638 12.745 -11.110 1.00 0.56 C ATOM 1803 C GLU A 104 10.433 11.447 -11.231 1.00 0.49 C ATOM 1804 O GLU A 104 11.317 11.339 -12.085 1.00 0.55 O ATOM 1805 CB GLU A 104 9.225 13.212 -12.511 1.00 0.67 C ATOM 1806 CG GLU A 104 8.193 14.328 -12.516 1.00 0.80 C ATOM 1807 CD GLU A 104 7.822 14.761 -13.919 1.00 1.15 C ATOM 1808 OE1 GLU A 104 7.658 13.882 -14.797 1.00 1.75 O ATOM 1809 OE2 GLU A 104 7.701 15.982 -14.158 1.00 1.17 O ATOM 0 H GLU A 104 11.399 13.792 -10.675 1.00 0.56 H new ATOM 0 HA GLU A 104 8.749 12.558 -10.508 1.00 0.56 H new ATOM 0 HB2 GLU A 104 10.113 13.551 -13.045 1.00 0.67 H new ATOM 0 HB3 GLU A 104 8.826 12.361 -13.063 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.297 13.994 -11.992 1.00 0.80 H new ATOM 0 HG3 GLU A 104 8.584 15.184 -11.965 1.00 0.80 H new ATOM 1816 N PRO A 105 10.168 10.459 -10.356 1.00 0.44 N ATOM 1817 CA PRO A 105 10.678 9.101 -10.543 1.00 0.44 C ATOM 1818 C PRO A 105 10.225 8.553 -11.891 1.00 0.42 C ATOM 1819 O PRO A 105 9.046 8.674 -12.236 1.00 0.47 O ATOM 1820 CB PRO A 105 10.031 8.299 -9.401 1.00 0.48 C ATOM 1821 CG PRO A 105 8.973 9.179 -8.830 1.00 0.53 C ATOM 1822 CD PRO A 105 9.395 10.590 -9.114 1.00 0.49 C ATOM 0 HA PRO A 105 11.767 9.053 -10.528 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.605 7.367 -9.771 1.00 0.48 H new ATOM 0 HB3 PRO A 105 10.769 8.034 -8.644 1.00 0.48 H new ATOM 0 HG2 PRO A 105 8.005 8.965 -9.282 1.00 0.53 H new ATOM 0 HG3 PRO A 105 8.868 9.014 -7.758 1.00 0.53 H new ATOM 0 HD2 PRO A 105 8.537 11.250 -9.240 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.998 11.002 -8.305 1.00 0.49 H new ATOM 1830 N THR A 106 11.126 7.965 -12.659 1.00 0.42 N ATOM 1831 CA THR A 106 10.765 7.497 -13.987 1.00 0.42 C ATOM 1832 C THR A 106 9.957 6.204 -13.888 1.00 0.39 C ATOM 1833 O THR A 106 9.809 5.653 -12.796 1.00 0.41 O ATOM 1834 CB THR A 106 11.999 7.296 -14.893 1.00 0.50 C ATOM 1835 OG1 THR A 106 11.584 7.029 -16.242 1.00 1.48 O ATOM 1836 CG2 THR A 106 12.866 6.154 -14.391 1.00 1.05 C ATOM 0 H THR A 106 12.097 7.802 -12.393 1.00 0.42 H new ATOM 0 HA THR A 106 10.152 8.270 -14.450 1.00 0.42 H new ATOM 0 HB THR A 106 12.587 8.213 -14.868 1.00 0.50 H new ATOM 0 HG1 THR A 106 12.374 6.905 -16.809 1.00 1.48 H new ATOM 0 HG21 THR A 106 13.728 6.035 -15.048 1.00 1.05 H new ATOM 0 HG22 THR A 106 13.208 6.374 -13.380 1.00 1.05 H new ATOM 0 HG23 THR A 106 12.285 5.232 -14.384 1.00 1.05 H new ATOM 1844 N LYS A 107 9.437 5.716 -15.006 1.00 0.39 N ATOM 1845 CA LYS A 107 8.578 4.539 -14.977 1.00 0.39 C ATOM 1846 C LYS A 107 9.335 3.342 -14.402 1.00 0.36 C ATOM 1847 O LYS A 107 8.760 2.509 -13.701 1.00 0.38 O ATOM 1848 CB LYS A 107 8.042 4.233 -16.378 1.00 0.43 C ATOM 1849 CG LYS A 107 7.026 3.102 -16.419 1.00 1.33 C ATOM 1850 CD LYS A 107 6.396 2.978 -17.798 1.00 1.66 C ATOM 1851 CE LYS A 107 5.357 1.870 -17.838 1.00 2.22 C ATOM 1852 NZ LYS A 107 4.632 1.841 -19.135 1.00 2.88 N ATOM 0 H LYS A 107 9.592 6.111 -15.934 1.00 0.39 H new ATOM 0 HA LYS A 107 7.726 4.742 -14.329 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.584 5.134 -16.785 1.00 0.43 H new ATOM 0 HB3 LYS A 107 8.879 3.979 -17.029 1.00 0.43 H new ATOM 0 HG2 LYS A 107 7.512 2.163 -16.153 1.00 1.33 H new ATOM 0 HG3 LYS A 107 6.249 3.281 -15.676 1.00 1.33 H new ATOM 0 HD2 LYS A 107 5.931 3.925 -18.073 1.00 1.66 H new ATOM 0 HD3 LYS A 107 7.172 2.778 -18.537 1.00 1.66 H new ATOM 0 HE2 LYS A 107 5.844 0.909 -17.672 1.00 2.22 H new ATOM 0 HE3 LYS A 107 4.644 2.011 -17.026 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 3.932 1.072 -19.124 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 4.147 2.749 -19.282 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 5.309 1.681 -19.908 1.00 2.88 H new ATOM 1866 N ASP A 108 10.640 3.299 -14.667 1.00 0.36 N ATOM 1867 CA ASP A 108 11.508 2.241 -14.144 1.00 0.38 C ATOM 1868 C ASP A 108 11.465 2.207 -12.620 1.00 0.36 C ATOM 1869 O ASP A 108 11.426 1.132 -12.018 1.00 0.38 O ATOM 1870 CB ASP A 108 12.949 2.446 -14.617 1.00 0.47 C ATOM 1871 CG ASP A 108 13.909 1.432 -14.026 1.00 1.29 C ATOM 1872 OD1 ASP A 108 14.016 0.313 -14.576 1.00 1.26 O ATOM 1873 OD2 ASP A 108 14.554 1.744 -13.002 1.00 2.24 O ATOM 0 H ASP A 108 11.123 3.988 -15.244 1.00 0.36 H new ATOM 0 HA ASP A 108 11.141 1.288 -14.525 1.00 0.38 H new ATOM 0 HB2 ASP A 108 12.983 2.381 -15.705 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.276 3.450 -14.347 1.00 0.47 H new ATOM 1878 N ASP A 109 11.463 3.391 -12.006 1.00 0.36 N ATOM 1879 CA ASP A 109 11.372 3.512 -10.555 1.00 0.37 C ATOM 1880 C ASP A 109 10.097 2.867 -10.046 1.00 0.34 C ATOM 1881 O ASP A 109 10.116 2.089 -9.096 1.00 0.36 O ATOM 1882 CB ASP A 109 11.400 4.984 -10.129 1.00 0.39 C ATOM 1883 CG ASP A 109 12.792 5.580 -10.147 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.200 6.121 -11.195 1.00 1.73 O ATOM 1885 OD2 ASP A 109 13.483 5.521 -9.107 1.00 0.94 O ATOM 0 H ASP A 109 11.524 4.283 -12.497 1.00 0.36 H new ATOM 0 HA ASP A 109 12.232 3.000 -10.124 1.00 0.37 H new ATOM 0 HB2 ASP A 109 10.756 5.561 -10.793 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.986 5.074 -9.125 1.00 0.39 H new ATOM 1890 N LEU A 110 8.988 3.190 -10.699 1.00 0.30 N ATOM 1891 CA LEU A 110 7.686 2.665 -10.312 1.00 0.30 C ATOM 1892 C LEU A 110 7.630 1.156 -10.519 1.00 0.29 C ATOM 1893 O LEU A 110 7.183 0.425 -9.638 1.00 0.33 O ATOM 1894 CB LEU A 110 6.565 3.352 -11.102 1.00 0.30 C ATOM 1895 CG LEU A 110 6.123 4.721 -10.569 1.00 0.38 C ATOM 1896 CD1 LEU A 110 7.275 5.709 -10.565 1.00 0.82 C ATOM 1897 CD2 LEU A 110 4.966 5.261 -11.394 1.00 0.82 C ATOM 0 H LEU A 110 8.965 3.817 -11.503 1.00 0.30 H new ATOM 0 HA LEU A 110 7.540 2.875 -9.252 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.893 3.473 -12.134 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.698 2.691 -11.118 1.00 0.30 H new ATOM 0 HG LEU A 110 5.791 4.589 -9.539 1.00 0.38 H new ATOM 0 HD11 LEU A 110 6.929 6.669 -10.182 1.00 0.82 H new ATOM 0 HD12 LEU A 110 8.076 5.332 -9.929 1.00 0.82 H new ATOM 0 HD13 LEU A 110 7.648 5.837 -11.581 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.663 6.233 -11.004 1.00 0.82 H new ATOM 0 HD22 LEU A 110 5.279 5.368 -12.433 1.00 0.82 H new ATOM 0 HD23 LEU A 110 4.125 4.570 -11.338 1.00 0.82 H new ATOM 1909 N LYS A 111 8.102 0.700 -11.675 1.00 0.28 N ATOM 1910 CA LYS A 111 8.143 -0.727 -11.985 1.00 0.31 C ATOM 1911 C LYS A 111 8.904 -1.486 -10.904 1.00 0.33 C ATOM 1912 O LYS A 111 8.411 -2.469 -10.353 1.00 0.35 O ATOM 1913 CB LYS A 111 8.814 -0.961 -13.339 1.00 0.37 C ATOM 1914 CG LYS A 111 8.048 -0.380 -14.514 1.00 0.93 C ATOM 1915 CD LYS A 111 8.793 -0.585 -15.825 1.00 0.92 C ATOM 1916 CE LYS A 111 8.988 -2.062 -16.140 1.00 1.02 C ATOM 1917 NZ LYS A 111 9.703 -2.262 -17.425 1.00 1.74 N ATOM 0 H LYS A 111 8.463 1.300 -12.416 1.00 0.28 H new ATOM 0 HA LYS A 111 7.118 -1.094 -12.025 1.00 0.31 H new ATOM 0 HB2 LYS A 111 9.813 -0.526 -13.318 1.00 0.37 H new ATOM 0 HB3 LYS A 111 8.937 -2.033 -13.492 1.00 0.37 H new ATOM 0 HG2 LYS A 111 7.066 -0.848 -14.576 1.00 0.93 H new ATOM 0 HG3 LYS A 111 7.884 0.685 -14.351 1.00 0.93 H new ATOM 0 HD2 LYS A 111 8.240 -0.111 -16.635 1.00 0.92 H new ATOM 0 HD3 LYS A 111 9.764 -0.093 -15.772 1.00 0.92 H new ATOM 0 HE2 LYS A 111 9.550 -2.534 -15.334 1.00 1.02 H new ATOM 0 HE3 LYS A 111 8.017 -2.556 -16.184 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 9.816 -3.280 -17.604 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 9.155 -1.833 -18.198 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 10.640 -1.813 -17.375 1.00 1.74 H new ATOM 1931 N ALA A 112 10.104 -1.004 -10.603 1.00 0.36 N ATOM 1932 CA ALA A 112 10.952 -1.619 -9.593 1.00 0.42 C ATOM 1933 C ALA A 112 10.280 -1.604 -8.226 1.00 0.43 C ATOM 1934 O ALA A 112 10.344 -2.584 -7.481 1.00 0.47 O ATOM 1935 CB ALA A 112 12.292 -0.900 -9.524 1.00 0.46 C ATOM 0 H ALA A 112 10.513 -0.183 -11.049 1.00 0.36 H new ATOM 0 HA ALA A 112 11.117 -2.658 -9.878 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.918 -1.369 -8.765 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.788 -0.962 -10.492 1.00 0.46 H new ATOM 0 HB3 ALA A 112 12.131 0.146 -9.265 1.00 0.46 H new ATOM 1941 N SER A 113 9.637 -0.496 -7.904 1.00 0.41 N ATOM 1942 CA SER A 113 8.983 -0.343 -6.617 1.00 0.45 C ATOM 1943 C SER A 113 7.817 -1.316 -6.447 1.00 0.40 C ATOM 1944 O SER A 113 7.688 -1.943 -5.395 1.00 0.44 O ATOM 1945 CB SER A 113 8.512 1.096 -6.443 1.00 0.54 C ATOM 1946 OG SER A 113 9.607 1.992 -6.532 1.00 1.34 O ATOM 0 H SER A 113 9.554 0.314 -8.519 1.00 0.41 H new ATOM 0 HA SER A 113 9.712 -0.580 -5.842 1.00 0.45 H new ATOM 0 HB2 SER A 113 7.774 1.338 -7.208 1.00 0.54 H new ATOM 0 HB3 SER A 113 8.020 1.209 -5.477 1.00 0.54 H new ATOM 0 HG SER A 113 9.873 2.091 -7.470 1.00 1.34 H new ATOM 1952 N VAL A 114 6.991 -1.492 -7.478 1.00 0.36 N ATOM 1953 CA VAL A 114 5.816 -2.340 -7.345 1.00 0.36 C ATOM 1954 C VAL A 114 6.235 -3.807 -7.383 1.00 0.35 C ATOM 1955 O VAL A 114 5.613 -4.671 -6.767 1.00 0.37 O ATOM 1956 CB VAL A 114 4.770 -2.074 -8.459 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.440 -0.592 -8.563 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.239 -2.607 -9.800 1.00 0.56 C ATOM 0 H VAL A 114 7.113 -1.066 -8.397 1.00 0.36 H new ATOM 0 HA VAL A 114 5.349 -2.103 -6.389 1.00 0.36 H new ATOM 0 HB VAL A 114 3.861 -2.609 -8.182 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.704 -0.438 -9.352 1.00 0.65 H new ATOM 0 HG12 VAL A 114 4.033 -0.242 -7.614 1.00 0.65 H new ATOM 0 HG13 VAL A 114 5.346 -0.033 -8.797 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.482 -2.404 -10.557 1.00 0.56 H new ATOM 0 HG22 VAL A 114 6.172 -2.118 -10.079 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.400 -3.683 -9.728 1.00 0.56 H new ATOM 1962 N LYS A 115 7.321 -4.065 -8.103 1.00 0.35 N ATOM 1963 CA LYS A 115 7.850 -5.407 -8.268 1.00 0.37 C ATOM 1964 C LYS A 115 8.499 -5.887 -6.984 1.00 0.35 C ATOM 1965 O LYS A 115 8.559 -7.087 -6.727 1.00 0.37 O ATOM 1966 CB LYS A 115 8.843 -5.444 -9.430 1.00 0.48 C ATOM 1967 CG LYS A 115 10.296 -5.247 -9.044 1.00 0.84 C ATOM 1968 CD LYS A 115 11.198 -5.260 -10.266 1.00 0.81 C ATOM 1969 CE LYS A 115 11.003 -6.512 -11.104 1.00 1.16 C ATOM 1970 NZ LYS A 115 12.012 -6.613 -12.191 1.00 1.72 N ATOM 0 H LYS A 115 7.858 -3.346 -8.588 1.00 0.35 H new ATOM 0 HA LYS A 115 7.026 -6.082 -8.499 1.00 0.37 H new ATOM 0 HB2 LYS A 115 8.746 -6.403 -9.940 1.00 0.48 H new ATOM 0 HB3 LYS A 115 8.567 -4.672 -10.148 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.409 -4.300 -8.516 1.00 0.84 H new ATOM 0 HG3 LYS A 115 10.602 -6.035 -8.355 1.00 0.84 H new ATOM 0 HD2 LYS A 115 10.994 -4.380 -10.876 1.00 0.81 H new ATOM 0 HD3 LYS A 115 12.239 -5.194 -9.949 1.00 0.81 H new ATOM 0 HE2 LYS A 115 11.070 -7.392 -10.464 1.00 1.16 H new ATOM 0 HE3 LYS A 115 10.002 -6.507 -11.536 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 11.845 -7.480 -12.740 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 11.932 -5.786 -12.817 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 12.966 -6.643 -11.778 1.00 1.72 H new ATOM 1984 N GLU A 116 8.968 -4.962 -6.165 1.00 0.36 N ATOM 1985 CA GLU A 116 9.494 -5.330 -4.880 1.00 0.38 C ATOM 1986 C GLU A 116 8.339 -5.627 -3.930 1.00 0.37 C ATOM 1987 O GLU A 116 8.428 -6.521 -3.098 1.00 0.38 O ATOM 1988 CB GLU A 116 10.424 -4.244 -4.344 1.00 0.43 C ATOM 1989 CG GLU A 116 10.510 -4.227 -2.840 1.00 0.80 C ATOM 1990 CD GLU A 116 11.704 -3.457 -2.325 1.00 1.30 C ATOM 1991 OE1 GLU A 116 12.792 -4.062 -2.204 1.00 2.27 O ATOM 1992 OE2 GLU A 116 11.566 -2.253 -2.039 1.00 1.32 O ATOM 0 H GLU A 116 8.992 -3.963 -6.371 1.00 0.36 H new ATOM 0 HA GLU A 116 10.096 -6.234 -4.973 1.00 0.38 H new ATOM 0 HB2 GLU A 116 11.422 -4.392 -4.757 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.076 -3.272 -4.693 1.00 0.43 H new ATOM 0 HG2 GLU A 116 9.599 -3.787 -2.435 1.00 0.80 H new ATOM 0 HG3 GLU A 116 10.560 -5.252 -2.473 1.00 0.80 H new ATOM 1999 N VAL A 117 7.239 -4.912 -4.096 1.00 0.36 N ATOM 2000 CA VAL A 117 6.018 -5.208 -3.377 1.00 0.38 C ATOM 2001 C VAL A 117 5.566 -6.633 -3.672 1.00 0.38 C ATOM 2002 O VAL A 117 5.261 -7.410 -2.767 1.00 0.43 O ATOM 2003 CB VAL A 117 4.910 -4.229 -3.797 1.00 0.43 C ATOM 2004 CG1 VAL A 117 3.605 -4.587 -3.138 1.00 0.81 C ATOM 2005 CG2 VAL A 117 5.302 -2.804 -3.465 1.00 0.78 C ATOM 0 H VAL A 117 7.170 -4.116 -4.729 1.00 0.36 H new ATOM 0 HA VAL A 117 6.211 -5.104 -2.309 1.00 0.38 H new ATOM 0 HB VAL A 117 4.779 -4.306 -4.876 1.00 0.43 H new ATOM 0 HG11 VAL A 117 2.835 -3.881 -3.449 1.00 0.81 H new ATOM 0 HG12 VAL A 117 3.314 -5.595 -3.432 1.00 0.81 H new ATOM 0 HG13 VAL A 117 3.720 -4.544 -2.055 1.00 0.81 H new ATOM 0 HG21 VAL A 117 4.504 -2.127 -3.770 1.00 0.78 H new ATOM 0 HG22 VAL A 117 5.465 -2.712 -2.391 1.00 0.78 H new ATOM 0 HG23 VAL A 117 6.219 -2.546 -3.994 1.00 0.78 H new ATOM 2009 N LEU A 118 5.556 -6.977 -4.949 1.00 0.36 N ATOM 2010 CA LEU A 118 5.152 -8.303 -5.380 1.00 0.36 C ATOM 2011 C LEU A 118 6.184 -9.333 -4.958 1.00 0.36 C ATOM 2012 O LEU A 118 5.860 -10.503 -4.766 1.00 0.38 O ATOM 2013 CB LEU A 118 4.982 -8.329 -6.900 1.00 0.41 C ATOM 2014 CG LEU A 118 3.878 -7.430 -7.455 1.00 0.49 C ATOM 2015 CD1 LEU A 118 4.259 -6.930 -8.834 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.559 -8.179 -7.523 1.00 0.88 C ATOM 0 H LEU A 118 5.825 -6.352 -5.709 1.00 0.36 H new ATOM 0 HA LEU A 118 4.200 -8.548 -4.909 1.00 0.36 H new ATOM 0 HB2 LEU A 118 5.927 -8.039 -7.359 1.00 0.41 H new ATOM 0 HB3 LEU A 118 4.780 -9.355 -7.208 1.00 0.41 H new ATOM 0 HG LEU A 118 3.759 -6.579 -6.785 1.00 0.49 H new ATOM 0 HD11 LEU A 118 3.466 -6.290 -9.221 1.00 1.21 H new ATOM 0 HD12 LEU A 118 5.186 -6.361 -8.771 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.399 -7.779 -9.503 1.00 1.21 H new ATOM 0 HD21 LEU A 118 1.787 -7.521 -7.921 1.00 0.88 H new ATOM 0 HD22 LEU A 118 2.667 -9.047 -8.174 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.275 -8.508 -6.523 1.00 0.88 H new ATOM 2028 N LYS A 119 7.420 -8.885 -4.801 1.00 0.36 N ATOM 2029 CA LYS A 119 8.497 -9.742 -4.350 1.00 0.37 C ATOM 2030 C LYS A 119 8.174 -10.233 -2.953 1.00 0.36 C ATOM 2031 O LYS A 119 8.319 -11.414 -2.637 1.00 0.38 O ATOM 2032 CB LYS A 119 9.817 -8.966 -4.368 1.00 0.39 C ATOM 2033 CG LYS A 119 10.950 -9.652 -3.630 1.00 0.43 C ATOM 2034 CD LYS A 119 12.217 -8.804 -3.620 1.00 0.67 C ATOM 2035 CE LYS A 119 12.004 -7.467 -2.919 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.252 -6.662 -2.850 1.00 0.95 N ATOM 0 H LYS A 119 7.700 -7.921 -4.983 1.00 0.36 H new ATOM 0 HA LYS A 119 8.602 -10.600 -5.013 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.117 -8.805 -5.403 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.654 -7.983 -3.927 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.643 -9.858 -2.605 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.160 -10.613 -4.100 1.00 0.43 H new ATOM 0 HD2 LYS A 119 13.016 -9.352 -3.121 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.544 -8.628 -4.645 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.237 -6.900 -3.447 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.632 -7.643 -1.910 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.071 -5.785 -2.321 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 13.993 -7.210 -2.368 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.567 -6.427 -3.813 1.00 0.95 H new ATOM 2050 N LEU A 120 7.707 -9.307 -2.133 1.00 0.36 N ATOM 2051 CA LEU A 120 7.274 -9.619 -0.794 1.00 0.37 C ATOM 2052 C LEU A 120 5.987 -10.434 -0.790 1.00 0.36 C ATOM 2053 O LEU A 120 5.891 -11.426 -0.064 1.00 0.38 O ATOM 2054 CB LEU A 120 7.070 -8.333 0.007 1.00 0.39 C ATOM 2055 CG LEU A 120 8.336 -7.715 0.596 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.325 -7.324 -0.480 1.00 1.06 C ATOM 2057 CD2 LEU A 120 7.989 -6.522 1.471 1.00 0.99 C ATOM 0 H LEU A 120 7.620 -8.322 -2.382 1.00 0.36 H new ATOM 0 HA LEU A 120 8.055 -10.221 -0.330 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.594 -7.595 -0.639 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.375 -8.540 0.821 1.00 0.39 H new ATOM 0 HG LEU A 120 8.815 -8.474 1.215 1.00 0.42 H new ATOM 0 HD11 LEU A 120 10.211 -6.888 -0.019 1.00 1.06 H new ATOM 0 HD12 LEU A 120 9.610 -8.208 -1.051 1.00 1.06 H new ATOM 0 HD13 LEU A 120 8.867 -6.594 -1.147 1.00 1.06 H new ATOM 0 HD21 LEU A 120 8.903 -6.094 1.882 1.00 0.99 H new ATOM 0 HD22 LEU A 120 7.473 -5.770 0.873 1.00 0.99 H new ATOM 0 HD23 LEU A 120 7.341 -6.845 2.286 1.00 0.99 H new ATOM 2069 N TYR A 121 4.993 -10.036 -1.589 1.00 0.35 N ATOM 2070 CA TYR A 121 3.677 -10.635 -1.427 1.00 0.36 C ATOM 2071 C TYR A 121 3.648 -12.085 -1.914 1.00 0.38 C ATOM 2072 O TYR A 121 2.979 -12.925 -1.312 1.00 0.41 O ATOM 2073 CB TYR A 121 2.556 -9.791 -2.061 1.00 0.37 C ATOM 2074 CG TYR A 121 1.756 -10.526 -3.124 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.642 -11.278 -2.777 1.00 0.84 C ATOM 2076 CD2 TYR A 121 2.099 -10.445 -4.469 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -0.105 -11.927 -3.735 1.00 1.13 C ATOM 2078 CE2 TYR A 121 1.349 -11.090 -5.434 1.00 1.05 C ATOM 2079 CZ TYR A 121 0.336 -11.908 -5.073 1.00 1.23 C ATOM 2080 OH TYR A 121 -0.514 -12.464 -6.015 1.00 1.54 O ATOM 0 H TYR A 121 5.071 -9.332 -2.323 1.00 0.35 H new ATOM 0 HA TYR A 121 3.476 -10.650 -0.356 1.00 0.36 H new ATOM 0 HB2 TYR A 121 1.878 -9.458 -1.276 1.00 0.37 H new ATOM 0 HB3 TYR A 121 2.994 -8.897 -2.504 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.356 -11.355 -1.738 1.00 0.84 H new ATOM 0 HD2 TYR A 121 2.964 -9.870 -4.764 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.015 -12.443 -3.465 1.00 1.13 H new ATOM 0 HE2 TYR A 121 1.573 -10.940 -6.480 1.00 1.05 H new ATOM 0 HH TYR A 121 -1.157 -13.053 -5.568 1.00 1.54 H new ATOM 2090 N LYS A 122 4.381 -12.388 -2.982 1.00 0.40 N ATOM 2091 CA LYS A 122 4.398 -13.750 -3.510 1.00 0.45 C ATOM 2092 C LYS A 122 5.009 -14.707 -2.496 1.00 0.43 C ATOM 2093 O LYS A 122 4.648 -15.881 -2.434 1.00 0.46 O ATOM 2094 CB LYS A 122 5.180 -13.840 -4.823 1.00 0.52 C ATOM 2095 CG LYS A 122 4.630 -12.964 -5.937 1.00 0.60 C ATOM 2096 CD LYS A 122 5.072 -13.463 -7.303 1.00 1.21 C ATOM 2097 CE LYS A 122 5.053 -12.353 -8.340 1.00 1.27 C ATOM 2098 NZ LYS A 122 6.149 -11.382 -8.107 1.00 1.98 N ATOM 0 H LYS A 122 4.962 -11.722 -3.492 1.00 0.40 H new ATOM 0 HA LYS A 122 3.363 -14.031 -3.705 1.00 0.45 H new ATOM 0 HB2 LYS A 122 6.217 -13.561 -4.635 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.185 -14.877 -5.160 1.00 0.52 H new ATOM 0 HG2 LYS A 122 3.541 -12.950 -5.888 1.00 0.60 H new ATOM 0 HG3 LYS A 122 4.968 -11.938 -5.796 1.00 0.60 H new ATOM 0 HD2 LYS A 122 6.078 -13.877 -7.231 1.00 1.21 H new ATOM 0 HD3 LYS A 122 4.417 -14.272 -7.624 1.00 1.21 H new ATOM 0 HE2 LYS A 122 5.150 -12.782 -9.337 1.00 1.27 H new ATOM 0 HE3 LYS A 122 4.093 -11.837 -8.307 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 6.051 -10.583 -8.766 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 6.101 -11.032 -7.129 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 7.065 -11.849 -8.263 1.00 1.98 H new ATOM 2112 N ALA A 123 5.930 -14.185 -1.692 1.00 0.42 N ATOM 2113 CA ALA A 123 6.654 -14.991 -0.722 1.00 0.43 C ATOM 2114 C ALA A 123 5.854 -15.217 0.557 1.00 0.43 C ATOM 2115 O ALA A 123 6.286 -15.970 1.429 1.00 0.70 O ATOM 2116 CB ALA A 123 7.986 -14.333 -0.395 1.00 0.49 C ATOM 0 H ALA A 123 6.192 -13.199 -1.696 1.00 0.42 H new ATOM 0 HA ALA A 123 6.825 -15.969 -1.172 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.524 -14.942 0.332 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.581 -14.244 -1.304 1.00 0.49 H new ATOM 0 HB3 ALA A 123 7.809 -13.341 0.022 1.00 0.49 H new ATOM 2122 N MET A 124 4.699 -14.572 0.690 1.00 0.44 N ATOM 2123 CA MET A 124 3.896 -14.744 1.897 1.00 0.42 C ATOM 2124 C MET A 124 3.154 -16.071 1.853 1.00 0.42 C ATOM 2125 O MET A 124 2.949 -16.635 0.777 1.00 0.42 O ATOM 2126 CB MET A 124 2.882 -13.608 2.067 1.00 0.41 C ATOM 2127 CG MET A 124 3.504 -12.240 2.283 1.00 0.45 C ATOM 2128 SD MET A 124 2.279 -10.995 2.739 1.00 0.50 S ATOM 2129 CE MET A 124 1.124 -11.118 1.375 1.00 0.46 C ATOM 0 H MET A 124 4.304 -13.939 -0.006 1.00 0.44 H new ATOM 0 HA MET A 124 4.579 -14.729 2.746 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.246 -13.569 1.182 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.236 -13.838 2.914 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.260 -12.306 3.065 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.015 -11.928 1.372 1.00 0.45 H new ATOM 0 HE1 MET A 124 0.735 -10.128 1.137 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.634 -11.527 0.502 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.300 -11.774 1.654 1.00 0.46 H new ATOM 2139 N SER A 125 2.752 -16.572 3.012 1.00 0.47 N ATOM 2140 CA SER A 125 1.914 -17.760 3.071 1.00 0.54 C ATOM 2141 C SER A 125 0.547 -17.478 2.445 1.00 0.58 C ATOM 2142 O SER A 125 0.095 -16.329 2.448 1.00 0.92 O ATOM 2143 CB SER A 125 1.755 -18.214 4.524 1.00 0.62 C ATOM 2144 OG SER A 125 3.021 -18.339 5.157 1.00 1.18 O ATOM 0 H SER A 125 2.992 -16.176 3.921 1.00 0.47 H new ATOM 0 HA SER A 125 2.392 -18.559 2.504 1.00 0.54 H new ATOM 0 HB2 SER A 125 1.141 -17.497 5.068 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.232 -19.170 4.556 1.00 0.62 H new ATOM 0 HG SER A 125 3.285 -17.474 5.534 1.00 1.18 H new ATOM 2150 N ASP A 126 -0.106 -18.501 1.905 1.00 0.44 N ATOM 2151 CA ASP A 126 -1.374 -18.307 1.194 1.00 0.43 C ATOM 2152 C ASP A 126 -2.414 -17.633 2.092 1.00 0.39 C ATOM 2153 O ASP A 126 -3.114 -16.711 1.664 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.913 -19.640 0.651 1.00 0.47 C ATOM 2155 CG ASP A 126 -2.444 -20.564 1.734 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -1.629 -21.131 2.493 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -3.679 -20.733 1.822 1.00 1.81 O ATOM 0 H ASP A 126 0.215 -19.468 1.943 1.00 0.44 H new ATOM 0 HA ASP A 126 -1.179 -17.648 0.348 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -2.709 -19.436 -0.065 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -1.118 -20.150 0.107 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.478 -18.065 3.347 1.00 0.38 N ATOM 2163 CA ALA A 127 -3.419 -17.502 4.305 1.00 0.37 C ATOM 2164 C ALA A 127 -3.111 -16.032 4.573 1.00 0.33 C ATOM 2165 O ALA A 127 -4.009 -15.242 4.864 1.00 0.34 O ATOM 2166 CB ALA A 127 -3.391 -18.297 5.599 1.00 0.42 C ATOM 0 H ALA A 127 -1.887 -18.806 3.724 1.00 0.38 H new ATOM 0 HA ALA A 127 -4.420 -17.564 3.878 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -4.099 -17.866 6.307 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.666 -19.332 5.396 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -2.388 -18.265 6.024 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.838 -15.675 4.457 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.420 -14.301 4.651 1.00 0.31 C ATOM 2174 C GLY A 128 -1.827 -13.418 3.493 1.00 0.29 C ATOM 2175 O GLY A 128 -2.235 -12.273 3.692 1.00 0.30 O ATOM 0 H GLY A 128 -1.081 -16.320 4.230 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.857 -13.915 5.572 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.337 -14.265 4.772 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.729 -13.958 2.281 1.00 0.32 N ATOM 2180 CA LYS A 129 -2.160 -13.238 1.086 1.00 0.39 C ATOM 2181 C LYS A 129 -3.650 -12.941 1.181 1.00 0.35 C ATOM 2182 O LYS A 129 -4.101 -11.825 0.921 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.896 -14.069 -0.171 1.00 0.56 C ATOM 2184 CG LYS A 129 -0.437 -14.427 -0.399 1.00 0.58 C ATOM 2185 CD LYS A 129 -0.282 -15.285 -1.644 1.00 0.59 C ATOM 2186 CE LYS A 129 1.167 -15.663 -1.901 1.00 0.94 C ATOM 2187 NZ LYS A 129 1.304 -16.508 -3.116 1.00 1.32 N ATOM 0 H LYS A 129 -1.356 -14.890 2.101 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.595 -12.308 1.021 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -2.477 -14.989 -0.111 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -2.261 -13.518 -1.038 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.154 -13.517 -0.503 1.00 0.58 H new ATOM 0 HG3 LYS A 129 -0.049 -14.962 0.468 1.00 0.58 H new ATOM 0 HD2 LYS A 129 -0.879 -16.191 -1.536 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.674 -14.746 -2.506 1.00 0.59 H new ATOM 0 HE2 LYS A 129 1.765 -14.759 -2.017 1.00 0.94 H new ATOM 0 HE3 LYS A 129 1.563 -16.199 -1.038 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 2.306 -16.747 -3.261 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 0.753 -17.382 -2.995 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 0.949 -15.987 -3.943 1.00 1.32 H new ATOM 2201 N ALA A 130 -4.402 -13.960 1.579 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.842 -13.849 1.737 1.00 0.37 C ATOM 2203 C ALA A 130 -6.194 -12.862 2.839 1.00 0.33 C ATOM 2204 O ALA A 130 -7.187 -12.137 2.746 1.00 0.38 O ATOM 2205 CB ALA A 130 -6.436 -15.209 2.056 1.00 0.42 C ATOM 0 H ALA A 130 -4.029 -14.883 1.800 1.00 0.35 H new ATOM 0 HA ALA A 130 -6.260 -13.482 0.800 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.516 -15.116 2.173 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -6.217 -15.901 1.243 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -6.002 -15.587 2.982 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.371 -12.831 3.877 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.649 -12.001 5.038 1.00 0.29 C ATOM 2213 C ASP A 131 -5.383 -10.539 4.699 1.00 0.27 C ATOM 2214 O ASP A 131 -6.095 -9.646 5.156 1.00 0.30 O ATOM 2215 CB ASP A 131 -4.813 -12.482 6.229 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.185 -11.828 7.545 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.360 -11.918 7.948 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.294 -11.238 8.194 1.00 0.45 O ATOM 0 H ASP A 131 -4.507 -13.370 3.938 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.699 -12.087 5.319 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -4.925 -13.562 6.327 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.760 -12.288 6.023 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.377 -10.315 3.855 1.00 0.24 N ATOM 2224 CA PHE A 132 -4.102 -8.990 3.304 1.00 0.22 C ATOM 2225 C PHE A 132 -5.276 -8.523 2.453 1.00 0.23 C ATOM 2226 O PHE A 132 -5.605 -7.338 2.426 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.815 -9.028 2.466 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.482 -7.731 1.777 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.919 -6.681 2.486 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.735 -7.561 0.427 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.614 -5.488 1.858 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.433 -6.372 -0.207 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.865 -5.341 0.499 1.00 0.36 C ATOM 0 H PHE A 132 -3.735 -11.040 3.536 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.965 -8.285 4.124 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -1.983 -9.306 3.113 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.909 -9.811 1.714 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.717 -6.796 3.541 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -3.175 -8.369 -0.138 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -1.182 -4.674 2.421 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.644 -6.253 -1.260 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.614 -4.417 -0.001 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.922 -9.470 1.786 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.056 -9.153 0.942 1.00 0.24 C ATOM 2245 C GLY A 133 -8.236 -8.590 1.709 1.00 0.23 C ATOM 2246 O GLY A 133 -9.081 -7.907 1.137 1.00 0.27 O ATOM 0 H GLY A 133 -5.678 -10.460 1.816 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.746 -8.432 0.185 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.371 -10.054 0.415 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.297 -8.868 3.004 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.406 -8.409 3.824 1.00 0.29 C ATOM 2252 C LYS A 134 -9.165 -6.993 4.345 1.00 0.30 C ATOM 2253 O LYS A 134 -10.101 -6.294 4.736 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.628 -9.378 4.987 1.00 0.34 C ATOM 2255 CG LYS A 134 -10.084 -10.756 4.531 1.00 0.63 C ATOM 2256 CD LYS A 134 -10.544 -11.639 5.688 1.00 1.29 C ATOM 2257 CE LYS A 134 -9.381 -12.179 6.514 1.00 1.61 C ATOM 2258 NZ LYS A 134 -8.836 -11.173 7.465 1.00 2.43 N ATOM 0 H LYS A 134 -7.593 -9.408 3.507 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.302 -8.383 3.204 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.702 -9.476 5.553 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.373 -8.960 5.664 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -10.900 -10.646 3.817 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -9.266 -11.249 4.006 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -11.209 -11.066 6.335 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -11.124 -12.474 5.294 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -9.712 -13.056 7.070 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -8.586 -12.507 5.844 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -7.806 -11.099 7.339 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -9.275 -10.248 7.281 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -9.045 -11.468 8.440 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.910 -6.576 4.334 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.528 -5.267 4.854 1.00 0.31 C ATOM 2274 C GLN A 135 -7.217 -4.299 3.720 1.00 0.30 C ATOM 2275 O GLN A 135 -7.542 -3.116 3.796 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.331 -5.405 5.796 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.624 -6.305 6.989 1.00 0.51 C ATOM 2278 CD GLN A 135 -7.865 -5.875 7.753 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -8.206 -4.694 7.803 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.552 -6.834 8.349 1.00 0.75 N ATOM 0 H GLN A 135 -7.132 -7.126 3.969 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.368 -4.859 5.416 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.482 -5.807 5.242 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -6.039 -4.418 6.154 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -6.752 -7.331 6.643 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -5.767 -6.300 7.663 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -8.237 -7.802 8.285 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.397 -6.606 8.873 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.603 -4.800 2.665 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.350 -3.991 1.482 1.00 0.26 C ATOM 2291 C PHE A 136 -6.839 -4.719 0.237 1.00 0.23 C ATOM 2292 O PHE A 136 -6.041 -5.220 -0.559 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.861 -3.645 1.364 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.397 -2.664 2.405 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.662 -1.312 2.262 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.712 -3.090 3.534 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.255 -0.406 3.219 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.308 -2.189 4.492 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.578 -0.848 4.337 1.00 0.58 C ATOM 0 H PHE A 136 -6.270 -5.762 2.600 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.901 -3.055 1.576 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.274 -4.560 1.449 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.668 -3.233 0.374 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.194 -0.963 1.390 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.494 -4.140 3.662 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -4.466 0.646 3.094 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.778 -2.534 5.367 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.260 -0.142 5.090 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.171 -4.775 0.050 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.789 -5.521 -1.048 1.00 0.30 C ATOM 2311 C PRO A 137 -8.406 -4.969 -2.410 1.00 0.29 C ATOM 2312 O PRO A 137 -8.321 -5.711 -3.387 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.293 -5.351 -0.808 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.412 -4.127 0.032 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.182 -4.102 0.890 1.00 0.34 C ATOM 0 HA PRO A 137 -8.464 -6.561 -1.058 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.833 -5.239 -1.748 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.713 -6.220 -0.301 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -10.476 -3.232 -0.587 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -11.315 -4.157 0.642 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -8.885 -3.083 1.139 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -9.337 -4.628 1.832 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.166 -3.667 -2.468 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.823 -3.013 -3.719 1.00 0.36 C ATOM 2325 C PHE A 138 -6.432 -3.441 -4.174 1.00 0.35 C ATOM 2326 O PHE A 138 -6.197 -3.667 -5.359 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.886 -1.493 -3.562 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.853 -0.757 -4.870 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -6.649 -0.409 -5.459 1.00 1.56 C ATOM 2330 CD2 PHE A 138 -9.032 -0.416 -5.510 1.00 1.21 C ATOM 2331 CE1 PHE A 138 -6.624 0.265 -6.662 1.00 2.23 C ATOM 2332 CE2 PHE A 138 -9.013 0.258 -6.715 1.00 1.88 C ATOM 2333 CZ PHE A 138 -7.806 0.599 -7.291 1.00 2.31 C ATOM 0 H PHE A 138 -8.203 -3.044 -1.662 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.546 -3.313 -4.477 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.798 -1.228 -3.027 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -7.049 -1.164 -2.947 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -5.721 -0.668 -4.972 1.00 1.56 H new ATOM 0 HD2 PHE A 138 -9.978 -0.680 -5.061 1.00 1.21 H new ATOM 0 HE1 PHE A 138 -5.679 0.531 -7.112 1.00 2.23 H new ATOM 0 HE2 PHE A 138 -9.940 0.518 -7.205 1.00 1.88 H new ATOM 0 HZ PHE A 138 -7.787 1.127 -8.233 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.516 -3.564 -3.225 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.157 -3.977 -3.537 1.00 0.36 C ATOM 2345 C LEU A 139 -4.090 -5.481 -3.770 1.00 0.33 C ATOM 2346 O LEU A 139 -3.465 -5.933 -4.730 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.192 -3.557 -2.427 1.00 0.40 C ATOM 2348 CG LEU A 139 -2.872 -2.064 -2.374 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -2.084 -1.731 -1.118 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.092 -1.646 -3.614 1.00 0.86 C ATOM 0 H LEU A 139 -5.689 -3.384 -2.236 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.854 -3.476 -4.456 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.615 -3.856 -1.468 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.260 -4.108 -2.550 1.00 0.40 H new ATOM 0 HG LEU A 139 -3.811 -1.511 -2.349 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.865 -0.663 -1.098 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.671 -1.998 -0.239 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -1.150 -2.293 -1.115 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -1.871 -0.580 -3.563 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.159 -2.208 -3.664 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -2.687 -1.851 -4.504 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.752 -6.253 -2.911 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.804 -7.702 -3.082 1.00 0.28 C ATOM 2364 C ALA A 140 -5.387 -8.038 -4.447 1.00 0.28 C ATOM 2365 O ALA A 140 -4.928 -8.957 -5.123 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.621 -8.345 -1.977 1.00 0.25 C ATOM 0 H ALA A 140 -5.256 -5.903 -2.096 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.791 -8.100 -3.023 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.646 -9.425 -2.124 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.167 -8.121 -1.012 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.637 -7.952 -2.000 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.394 -7.259 -4.837 1.00 0.26 N ATOM 2373 CA LYS A 141 -6.958 -7.298 -6.179 1.00 0.27 C ATOM 2374 C LYS A 141 -5.866 -7.317 -7.242 1.00 0.29 C ATOM 2375 O LYS A 141 -5.626 -8.333 -7.897 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.825 -6.053 -6.396 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.357 -5.912 -7.812 1.00 0.36 C ATOM 2378 CD LYS A 141 -8.949 -4.534 -8.045 1.00 1.15 C ATOM 2379 CE LYS A 141 -9.295 -4.327 -9.508 1.00 1.76 C ATOM 2380 NZ LYS A 141 -9.849 -2.972 -9.763 1.00 2.58 N ATOM 0 H LYS A 141 -6.843 -6.579 -4.224 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.551 -8.208 -6.270 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.666 -6.083 -5.704 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.240 -5.167 -6.148 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -7.551 -6.089 -8.525 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.117 -6.672 -7.995 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -9.845 -4.412 -7.436 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -8.239 -3.771 -7.725 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -8.402 -4.474 -10.116 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -10.020 -5.079 -9.819 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -10.072 -2.873 -10.774 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -10.715 -2.840 -9.203 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -9.148 -2.254 -9.491 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.205 -6.176 -7.403 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.258 -5.978 -8.480 1.00 0.36 C ATOM 2396 C VAL A 142 -3.014 -6.854 -8.340 1.00 0.37 C ATOM 2397 O VAL A 142 -2.360 -7.163 -9.337 1.00 0.44 O ATOM 2398 CB VAL A 142 -3.855 -4.492 -8.595 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -5.059 -3.597 -8.384 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.754 -4.140 -7.625 1.00 0.48 C ATOM 0 H VAL A 142 -5.314 -5.368 -6.790 1.00 0.31 H new ATOM 0 HA VAL A 142 -4.765 -6.282 -9.396 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.472 -4.329 -9.602 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.756 -2.553 -8.469 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -5.813 -3.818 -9.139 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.475 -3.775 -7.392 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.496 -3.087 -7.734 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.093 -4.327 -6.606 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -1.876 -4.752 -7.833 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.679 -7.258 -7.123 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.512 -8.117 -6.940 1.00 0.36 C ATOM 2406 C PHE A 143 -1.831 -9.538 -7.390 1.00 0.40 C ATOM 2407 O PHE A 143 -1.148 -10.093 -8.251 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.020 -8.124 -5.486 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.538 -6.790 -4.979 1.00 0.34 C ATOM 2410 CD1 PHE A 143 0.004 -5.851 -5.842 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.622 -6.482 -3.630 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.448 -4.629 -5.371 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.181 -5.262 -3.155 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.354 -4.335 -4.027 1.00 0.39 C ATOM 0 H PHE A 143 -3.180 -7.015 -6.268 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.709 -7.710 -7.555 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -1.830 -8.470 -4.844 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.209 -8.847 -5.394 1.00 0.36 H new ATOM 0 HD1 PHE A 143 0.081 -6.076 -6.895 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -1.037 -7.204 -2.942 1.00 0.58 H new ATOM 0 HE1 PHE A 143 0.868 -3.906 -6.055 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.255 -5.034 -2.102 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.699 -3.381 -3.657 1.00 0.39 H new ATOM 2424 N GLU A 144 -2.898 -10.100 -6.829 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.304 -11.473 -7.117 1.00 0.45 C ATOM 2426 C GLU A 144 -3.721 -11.646 -8.574 1.00 0.45 C ATOM 2427 O GLU A 144 -3.539 -12.711 -9.157 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.456 -11.880 -6.197 1.00 0.47 C ATOM 2429 CG GLU A 144 -4.026 -12.180 -4.769 1.00 0.60 C ATOM 2430 CD GLU A 144 -3.477 -13.584 -4.615 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -2.443 -13.894 -5.246 1.00 1.55 O ATOM 2432 OE2 GLU A 144 -4.053 -14.371 -3.838 1.00 2.58 O ATOM 0 H GLU A 144 -3.504 -9.619 -6.164 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.443 -12.117 -6.937 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.197 -11.081 -6.183 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -4.946 -12.761 -6.612 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.267 -11.460 -4.462 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -4.877 -12.050 -4.101 1.00 0.60 H new ATOM 2439 N SER A 145 -4.271 -10.595 -9.163 1.00 0.43 N ATOM 2440 CA SER A 145 -4.751 -10.667 -10.536 1.00 0.49 C ATOM 2441 C SER A 145 -3.623 -10.410 -11.538 1.00 0.57 C ATOM 2442 O SER A 145 -3.841 -10.423 -12.749 1.00 1.32 O ATOM 2443 CB SER A 145 -5.888 -9.666 -10.743 1.00 0.50 C ATOM 2444 OG SER A 145 -6.888 -9.829 -9.748 1.00 1.29 O ATOM 0 H SER A 145 -4.396 -9.687 -8.716 1.00 0.43 H new ATOM 0 HA SER A 145 -5.125 -11.676 -10.713 1.00 0.49 H new ATOM 0 HB2 SER A 145 -5.495 -8.650 -10.708 1.00 0.50 H new ATOM 0 HB3 SER A 145 -6.326 -9.805 -11.732 1.00 0.50 H new ATOM 0 HG SER A 145 -6.691 -9.244 -8.987 1.00 1.29 H new ATOM 2450 N GLY A 146 -2.417 -10.172 -11.031 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.275 -9.948 -11.902 1.00 0.78 C ATOM 2452 C GLY A 146 -1.309 -8.586 -12.572 1.00 0.70 C ATOM 2453 O GLY A 146 -0.591 -8.338 -13.541 1.00 1.09 O ATOM 0 H GLY A 146 -2.209 -10.130 -10.033 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -0.357 -10.040 -11.322 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -1.248 -10.724 -12.667 1.00 0.78 H new ATOM 2457 N LYS A 147 -2.140 -7.702 -12.044 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.280 -6.354 -12.576 1.00 0.48 C ATOM 2459 C LYS A 147 -1.015 -5.548 -12.301 1.00 0.40 C ATOM 2460 O LYS A 147 -0.471 -4.901 -13.194 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.511 -5.688 -11.949 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.693 -4.219 -12.294 1.00 0.83 C ATOM 2463 CD LYS A 147 -3.710 -3.991 -13.797 1.00 1.15 C ATOM 2464 CE LYS A 147 -4.140 -2.575 -14.144 1.00 1.55 C ATOM 2465 NZ LYS A 147 -3.257 -1.549 -13.528 1.00 1.98 N ATOM 0 H LYS A 147 -2.734 -7.896 -11.238 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.419 -6.396 -13.656 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.401 -6.233 -12.265 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.446 -5.786 -10.865 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -4.625 -3.856 -11.861 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -2.886 -3.638 -11.847 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -2.717 -4.181 -14.205 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -4.389 -4.703 -14.266 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -4.136 -2.452 -15.227 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -5.165 -2.417 -13.809 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -3.189 -0.725 -14.159 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -3.654 -1.253 -12.614 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -2.309 -1.950 -13.380 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.539 -5.612 -11.067 1.00 0.33 N ATOM 2480 CA ALA A 148 0.688 -4.927 -10.692 1.00 0.29 C ATOM 2481 C ALA A 148 1.901 -5.665 -11.238 1.00 0.31 C ATOM 2482 O ALA A 148 2.921 -5.053 -11.546 1.00 0.34 O ATOM 2483 CB ALA A 148 0.784 -4.797 -9.183 1.00 0.33 C ATOM 0 H ALA A 148 -0.983 -6.131 -10.309 1.00 0.33 H new ATOM 0 HA ALA A 148 0.668 -3.927 -11.126 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.708 -4.282 -8.920 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.067 -4.226 -8.812 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.780 -5.789 -8.731 1.00 0.33 H new ATOM 2489 N ALA A 149 1.774 -6.983 -11.361 1.00 0.35 N ATOM 2490 CA ALA A 149 2.863 -7.829 -11.837 1.00 0.41 C ATOM 2491 C ALA A 149 3.331 -7.417 -13.232 1.00 0.43 C ATOM 2492 O ALA A 149 4.529 -7.398 -13.513 1.00 0.51 O ATOM 2493 CB ALA A 149 2.435 -9.288 -11.836 1.00 0.48 C ATOM 0 H ALA A 149 0.919 -7.492 -11.135 1.00 0.35 H new ATOM 0 HA ALA A 149 3.703 -7.701 -11.155 1.00 0.41 H new ATOM 0 HB1 ALA A 149 3.257 -9.908 -12.193 1.00 0.48 H new ATOM 0 HB2 ALA A 149 2.168 -9.588 -10.823 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.573 -9.415 -12.491 1.00 0.48 H new ATOM 2499 N LYS A 150 2.388 -7.061 -14.092 1.00 0.41 N ATOM 2500 CA LYS A 150 2.726 -6.702 -15.462 1.00 0.46 C ATOM 2501 C LYS A 150 3.245 -5.272 -15.534 1.00 0.45 C ATOM 2502 O LYS A 150 4.066 -4.943 -16.387 1.00 0.59 O ATOM 2503 CB LYS A 150 1.533 -6.899 -16.393 1.00 0.53 C ATOM 2504 CG LYS A 150 1.009 -8.327 -16.393 1.00 1.16 C ATOM 2505 CD LYS A 150 2.124 -9.357 -16.547 1.00 1.45 C ATOM 2506 CE LYS A 150 2.896 -9.185 -17.845 1.00 1.96 C ATOM 2507 NZ LYS A 150 4.037 -10.131 -17.934 1.00 2.82 N ATOM 0 H LYS A 150 1.394 -7.013 -13.870 1.00 0.41 H new ATOM 0 HA LYS A 150 3.521 -7.368 -15.797 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.731 -6.224 -16.095 1.00 0.53 H new ATOM 0 HB3 LYS A 150 1.821 -6.624 -17.407 1.00 0.53 H new ATOM 0 HG2 LYS A 150 0.472 -8.514 -15.463 1.00 1.16 H new ATOM 0 HG3 LYS A 150 0.292 -8.448 -17.205 1.00 1.16 H new ATOM 0 HD2 LYS A 150 2.811 -9.273 -15.705 1.00 1.45 H new ATOM 0 HD3 LYS A 150 1.697 -10.359 -16.512 1.00 1.45 H new ATOM 0 HE2 LYS A 150 2.226 -9.342 -18.690 1.00 1.96 H new ATOM 0 HE3 LYS A 150 3.265 -8.162 -17.916 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 4.540 -9.985 -18.832 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 4.689 -9.964 -17.141 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 3.682 -11.108 -17.891 1.00 2.82 H new ATOM 2521 N PHE A 151 2.773 -4.430 -14.620 1.00 0.35 N ATOM 2522 CA PHE A 151 3.305 -3.079 -14.483 1.00 0.36 C ATOM 2523 C PHE A 151 4.745 -3.143 -13.999 1.00 0.40 C ATOM 2524 O PHE A 151 5.577 -2.316 -14.366 1.00 0.46 O ATOM 2525 CB PHE A 151 2.454 -2.253 -13.515 1.00 0.34 C ATOM 2526 CG PHE A 151 2.898 -0.823 -13.406 1.00 0.33 C ATOM 2527 CD1 PHE A 151 2.768 0.039 -14.481 1.00 0.46 C ATOM 2528 CD2 PHE A 151 3.435 -0.336 -12.224 1.00 0.43 C ATOM 2529 CE1 PHE A 151 3.164 1.358 -14.382 1.00 0.49 C ATOM 2530 CE2 PHE A 151 3.834 0.982 -12.119 1.00 0.44 C ATOM 2531 CZ PHE A 151 3.744 1.817 -13.210 1.00 0.39 C ATOM 0 H PHE A 151 2.025 -4.659 -13.965 1.00 0.35 H new ATOM 0 HA PHE A 151 3.275 -2.591 -15.457 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.415 -2.280 -13.842 1.00 0.34 H new ATOM 0 HB3 PHE A 151 2.489 -2.713 -12.528 1.00 0.34 H new ATOM 0 HD1 PHE A 151 2.352 -0.325 -15.409 1.00 0.46 H new ATOM 0 HD2 PHE A 151 3.543 -0.995 -11.375 1.00 0.43 H new ATOM 0 HE1 PHE A 151 3.022 2.030 -15.215 1.00 0.49 H new ATOM 0 HE2 PHE A 151 4.216 1.358 -11.181 1.00 0.44 H new ATOM 0 HZ PHE A 151 4.124 2.826 -13.153 1.00 0.39 H new ATOM 2541 N ALA A 152 5.026 -4.151 -13.186 1.00 0.39 N ATOM 2542 CA ALA A 152 6.365 -4.386 -12.672 1.00 0.44 C ATOM 2543 C ALA A 152 7.312 -4.808 -13.787 1.00 0.52 C ATOM 2544 O ALA A 152 8.525 -4.612 -13.702 1.00 0.59 O ATOM 2545 CB ALA A 152 6.316 -5.455 -11.597 1.00 0.44 C ATOM 0 H ALA A 152 4.333 -4.827 -12.865 1.00 0.39 H new ATOM 0 HA ALA A 152 6.741 -3.456 -12.244 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.321 -5.630 -11.212 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.669 -5.125 -10.785 1.00 0.44 H new ATOM 0 HB3 ALA A 152 5.923 -6.379 -12.021 1.00 0.44 H new ATOM 2551 N GLY A 153 6.741 -5.390 -14.833 1.00 0.65 N ATOM 2552 CA GLY A 153 7.528 -5.839 -15.961 1.00 0.84 C ATOM 2553 C GLY A 153 8.022 -7.255 -15.779 1.00 1.06 C ATOM 2554 O GLY A 153 8.911 -7.709 -16.500 1.00 1.62 O ATOM 0 H GLY A 153 5.739 -5.559 -14.919 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.928 -5.778 -16.869 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.380 -5.173 -16.097 1.00 0.84 H new